G4VJS6_SCHMA Loading...

CwfJ_C_1 domain-containing protein

AlphaFold DB , UniProt , Accession G4VJS6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 686 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	38.7	Very low	42.5	Very low	245 Å²	245	195.7 Å²	195.7	100%	1.207	90%	0.897	S	S	*	*				0	153.1	0	-77	179.5	167.5	0	0	109.3
2	S	43.4	Very low	42.3	Very low	122 Å²	122	193.1 Å²	193.1	85%	0.853	89%	0.885	S	S	*	*			trans	63	147.4	-177.7	-153.1	0	0	0	0	116.2
3	H	45.5	Very low	42.1	Very low	172 Å²	172	194.3 Å²	194.3	80%	0.796	89%	0.887	S	S	*	*			trans	-123.4	140.7	-166.2	-72.6	-101.7	0	0	0	113.2
4	K	38.1	Very low	41.5	Very low	212 Å²	212	195.9 Å²	195.9	92%	0.922	89%	0.891	S	S	*	*			trans	-68.7	136.4	152.9	-74	178.4	175	175.9	0	109.1
5	K	51.6	Low	41.4	Very low	200 Å²	200	189.6 Å²	189.6	87%	0.87	88%	0.879	S	S	*	*			trans	-123	113.8	168	-82.4	-175	174.8	176.5	0	110.7
6	H	40.5	Very low	40.9	Very low	194 Å²	194	184.8 Å²	184.8	90%	0.898	87%	0.873	S	S	*	*			trans	-68.5	152.4	158	-95.4	-89.4	0	0	0	109.9
7	K	50.5	Low	40.7	Very low	208 Å²	208	181.9 Å²	181.9	90%	0.904	87%	0.871	S	S	*	*			trans	-132.6	144.3	158.4	-152.5	171.8	-175.4	-178.7	0	109.6
8	Q	44.4	Very low	40.4	Very low	179 Å²	179	180.2 Å²	180.2	84%	0.836	87%	0.867	S	S	*	*			trans	-88.6	155.9	-163	-65.5	164.9	-32	0	0	113.1
9	K	36.6	Very low	40.1	Very low	206 Å²	206	179.4 Å²	179.4	90%	0.896	87%	0.868	S	S	*	*			trans	-69.2	139.2	160	-67.6	177.6	177.1	176.8	0	109.4
10	R	40.8	Very low	39.6	Very low	210 Å²	210	176.1 Å²	176.1	79%	0.792	86%	0.864	S	S	*	*			trans	-119.9	133.6	157	-87.3	-170.4	167.7	-167.9	-3.7	109.3
11	K	37.8	Very low	39.2	Very low	205 Å²	205	171.3 Å²	171.3	89%	0.891	85%	0.849	S	S	*	*			trans	-90.6	145.4	161.3	-65.4	-178.2	177.4	-176.6	0	107.7
12	H	39.2	Very low	38.9	Very low	164 Å²	164	165.2 Å²	165.2	76%	0.759	83%	0.83	S	S	*	*			trans	-119.1	151.5	160.3	-84.8	-97.7	0	0	0	109.6
13	K	40	Very low	38.3	Very low	209 Å²	209	167.1 Å²	167.1	91%	0.909	83%	0.825	S	S	*	*			trans	-90	162.6	-176.6	-81.4	-177.4	169.7	-175.6	0	111.4
14	K	34.4	Very low	37.7	Very low	216 Å²	216	163.2 Å²	163.2	94%	0.939	82%	0.818	S	S	*	*			trans	-64.4	145	164.2	-80.6	-174.1	169.2	-172.2	0	111.8
15	S	39.2	Very low	37.5	Very low	102 Å²	102	160.4 Å²	160.4	71%	0.713	81%	0.812	S	S	*	*			trans	-153.4	111.6	146.6	48.8	0	0	0	0	105
16	S	34.6	Very low	36.6	Very low	112 Å²	112	160.7 Å²	160.7	78%	0.783	81%	0.81	S	S	*	*				71.4	79.9	66.2	75.3	0	0	0	0	112.7
17	T	36.9	Very low	36	Very low	136 Å²	136	157.8 Å²	157.8	83%	0.834	80%	0.796	S	S	*	*			trans	-145.1	134.1	153.2	39.3	0	0	0	0	106.4
18	D	34.5	Very low	35.4	Very low	151 Å²	151	159.7 Å²	159.7	81%	0.807	80%	0.798	S	S	*	*			trans	-83.4	157.1	-175.4	-43.9	-88.9	0	0	0	110.8
19	D	34.4	Very low	34.9	Very low	165 Å²	165	158 Å²	158	88%	0.882	79%	0.788	S	S	*	*				-176.1	155.4	120.7	-112.2	-38.5	0	0	0	114.9
20	S	31.5	Very low	34.5	Very low	113 Å²	113	156.8 Å²	156.8	79%	0.79	79%	0.785	S	S	*	*			trans	57	113.7	165.4	-152.5	0	0	0	0	120.7
21	S	30.9	Very low	34.3	Very low	77 Å²	77	152 Å²	152	54%	0.538	78%	0.776	S	S	.	*			trans	-70.6	160.6	162.5	-177.4	0	0	0	0	112.1	E23	S21-E23 PolarHBondContact OG-N 3Å; S21-E23 PolarHBondContact OG-OE2 3.19Å
22	S	31.5	Very low	33.9	Very low	116 Å²	116	149.1 Å²	149.1	81%	0.811	77%	0.77	S	S	*	*			trans	-154.4	65.7	155.7	178.8	0	0	0	0	109.2	S24	S22-S24 PolarHBondContact O-N 3.19Å
23	E	30.4	Very low	33.8	Very low	162 Å²	162	151 Å²	151	76%	0.757	77%	0.771	S	S	*	*			trans	-58.4	132.8	168.2	-74.2	148.9	118.9	0	0	110.7	S21	S21-E23 PolarHBondContact OG-N 3Å; S21-E23 PolarHBondContact OG-OE2 3.19Å
24	S	34.2	Very low	33.3	Very low	91 Å²	91	148.1 Å²	148.1	64%	0.636	77%	0.765	S	S	*	*			trans	-114.7	91.5	175.4	64.6	0	0	0	0	109.6	S22 Y26	S22-S24 PolarHBondContact O-N 3.19Å; S24-Y26 PolarHBondContact O-N 3.4Å
25	D	32.7	Very low	33.5	Very low	152 Å²	152	146 Å²	146	81%	0.813	76%	0.763	S	S	*	*			trans	-62.6	123.6	179.2	-74.6	-50.7	0	0	0	112	E27	D25-E27 VanDerWaalsContact C-N 3.34Å; D25-E27 PolarHBondContact O-N 3Å
26	Y	33.4	Very low	33.1	Very low	206 Å²	206	148.4 Å²	148.4	81%	0.808	76%	0.763	S	S	*	*			trans	-90.5	73	166.5	-77.6	-81.5	0	0	0	110	S24 W28	S24-Y26 PolarHBondContact O-N 3.4Å; Y26-W28 PolarHBondContact O-N 3.4Å
27	E	28.7	Very low	33	Very low	133 Å²	133	149.9 Å²	149.9	62%	0.621	76%	0.757	S	S	*	*			trans	-70.2	105.7	175.6	-170.2	-166.8	171.2	0	0	110.8	D25 K29	D25-E27 VanDerWaalsContact C-N 3.34Å; D25-E27 PolarHBondContact O-N 3Å; E27-K29 HydrophobicContact CG-CG 4.29Å; E27-K29 PolarHBondContact O-N 3.32Å; E27-K29 WeakPolarHBondContact OE1-CE 3.3Å; E27-K29 IonicContact OE1-NZ 2.84Å; E27-K29 PolarHBondContact OE1-NZ 2.87Å; E27-K29 IonicContact OE2-NZ 2.71Å; E27-K29 PolarHBondContact OE2-NZ 3.15Å
28	W	37.1	Very low	32.7	Very low	248 Å²	248	152.7 Å²	152.7	94%	0.939	76%	0.758	S	S	*	*			trans	-71.4	87.4	174.6	-76	95.2	0	0	0	111.5	Y26 Q30	Y26-W28 PolarHBondContact O-N 3.4Å; W28-Q30 PolarHBondContact O-N 3.33Å
29	K	33.9	Very low	32.5	Very low	145 Å²	145	150.6 Å²	150.6	63%	0.63	76%	0.755	S	S	*	*			trans	-75.1	119.1	169.5	-71.7	-171.5	162.6	98.9	0	110.7	E27 D31	E27-K29 HydrophobicContact CG-CG 4.29Å; E27-K29 PolarHBondContact O-N 3.32Å; E27-K29 WeakPolarHBondContact OE1-CE 3.3Å; E27-K29 IonicContact OE1-NZ 2.84Å; E27-K29 PolarHBondContact OE1-NZ 2.87Å; E27-K29 IonicContact OE2-NZ 2.71Å; E27-K29 PolarHBondContact OE2-NZ 3.15Å; K29-D31 PolarHBondContact O-N 3.22Å
30	Q	29.5	Very low	32.4	Very low	179 Å²	179	148.9 Å²	148.9	84%	0.836	75%	0.751	S	S	*	*			trans	-70.3	106.8	164.7	-71.2	-178.4	-72.5	0	0	108.4	W28 D32	W28-Q30 PolarHBondContact O-N 3.33Å; Q30-D32 PolarHBondContact O-N 3.07Å
31	D	34.9	Very low	32.5	Very low	111 Å²	111	152.3 Å²	152.3	59%	0.594	75%	0.754	S	S	*	*			trans	-88.1	83.3	179.2	-154.8	51.9	0	0	0	109.2	K29 R33	K29-D31 PolarHBondContact O-N 3.22Å; D31-R33 PolarHBondContact O-N 2.83Å; D31-R33 IonicContact OD2-CZ 2.68Å; D31-R33 IonicContact OD2-NE 3.86Å; D31-R33 PolarHBondContact OD2-NE 3.08Å; D31-R33 IonicContact OD2-NH2 3.62Å; D31-R33 PolarHBondContact OD2-NH2 2.93Å
32	D	30.9	Very low	32.3	Very low	143 Å²	143	158.3 Å²	158.3	77%	0.765	77%	0.765	S	S	*	*			trans	-61.6	96.7	-177.7	-83.4	-35.6	0	0	0	111.9	Q30	Q30-D32 PolarHBondContact O-N 3.07Å
33	R	36.7	Very low	32.5	Very low	205 Å²	205	160.9 Å²	160.9	77%	0.774	77%	0.77	S	S	*	*			trans	-111.5	96.4	175	-62.7	-164.4	-168.5	-148.2	0.2	111.4	D31 L35	D31-R33 PolarHBondContact O-N 2.83Å; D31-R33 IonicContact OD2-CZ 2.68Å; D31-R33 IonicContact OD2-NE 3.86Å; D31-R33 PolarHBondContact OD2-NE 3.08Å; D31-R33 IonicContact OD2-NH2 3.62Å; D31-R33 PolarHBondContact OD2-NH2 2.93Å; R33-L35 PolarHBondContact O-N 3.16Å
34	N	30.1	Very low	32.5	Very low	147 Å²	147	159.4 Å²	159.4	79%	0.786	77%	0.767	S	S	*	*			trans	-45.2	128.1	176.3	-70.6	-72.4	0	0	0	113.6
35	L	36.7	Very low	32.7	Very low	172 Å²	172	161.4 Å²	161.4	90%	0.901	78%	0.775	S	S	*	*			trans	-128.8	92.1	155.6	-90.1	168.9	0	0	0	109.8	R33	R33-L35 PolarHBondContact O-N 3.16Å
36	Q	32.5	Very low	32.8	Very low	152 Å²	152	161.7 Å²	161.7	71%	0.71	77%	0.772	S	S	*	*			trans	-50	145.7	149.6	-71.5	167.8	-98.9	0	0	109
37	E	31.9	Very low	32.8	Very low	143 Å²	143	161.3 Å²	161.3	67%	0.668	78%	0.777	S	S	*	*			cis	-149.9	168.5	6.3	-107.1	151.2	-135.8	0	0	106.3
38	K	31.1	Very low	33.3	Very low	195 Å²	195	161.2 Å²	161.2	85%	0.848	78%	0.781	S	S	*	*				-170.8	156.7	53.9	-149	159.8	-169.5	162.8	0	110.5
39	S	28.6	Very low	33.5	Very low	107 Å²	107	156.2 Å²	156.2	75%	0.748	77%	0.773	S	S	*	*			trans	-106.1	146	-168	49.3	0	0	0	0	115.9
40	T	32.9	Very low	34.5	Very low	129 Å²	129	160.4 Å²	160.4	79%	0.791	79%	0.785	S	S	*	*			trans	174.2	138.7	147	22.4	0	0	0	0	106.7
41	E	34	Very low	35.2	Very low	185 Å²	185	158.4 Å²	158.4	86%	0.864	78%	0.779	S	S	*	*			cis	-152.8	157.1	-5.4	-138.4	163.3	-150.9	0	0	108.4
42	R	27.6	Very low	35.8	Very low	203 Å²	203	158.4 Å²	158.4	77%	0.766	78%	0.783	S	S	*	*			trans	-95.9	156.5	-178.7	-77.4	-171.8	-177.3	166.6	-0.8	112.7
43	N	35.5	Very low	36.3	Very low	170 Å²	170	158 Å²	158	91%	0.909	78%	0.78	S	S	*	*			trans	-149.7	126.7	144.8	-90.4	-59.5	0	0	0	109.2
44	D	30.1	Very low	36.6	Very low	131 Å²	131	154.4 Å²	154.4	70%	0.701	78%	0.781	S	S	*	*			trans	-99.6	136.7	-172.8	-52.8	-69.6	0	0	0	111.7
45	V	38.1	Very low	37.3	Very low	133 Å²	133	155.9 Å²	155.9	81%	0.806	78%	0.78	S	S	*	*			trans	-142.7	108	163.5	-175.9	0	0	0	0	111.4
46	Q	34.1	Very low	37.7	Very low	159 Å²	159	152.3 Å²	152.3	74%	0.743	77%	0.77	S	S	*	*			trans	31.7	110.1	154.9	-60.6	-179.6	-90.8	0	0	119.9
47	E	33.2	Very low	38.2	Very low	198 Å²	198	151.4 Å²	151.4	93%	0.925	77%	0.769	S	S	*	*			trans	-64.4	128.2	150.3	-63.5	-178.8	123.3	0	0	110.3
48	N	40.3	Very low	38.8	Very low	131 Å²	131	150.8 Å²	150.8	70%	0.701	77%	0.77	S	S	*	*			trans	-112.8	119	167.2	-80.3	-44.5	0	0	0	109.4	W50	N48-W50 PolarHBondContact O-N 3.09Å
49	N	40.4	Very low	39.4	Very low	143 Å²	143	145.9 Å²	145.9	77%	0.765	76%	0.76	S	S	*	*			trans	-67.7	97.2	-179.8	-96.5	-46.1	0	0	0	111.5	I51	N49-I51 VanDerWaalsContact C-N 3.29Å; N49-I51 PolarHBondContact O-N 3.29Å
50	W	55.5	Low	40	Very low	233 Å²	233	148 Å²	148	88%	0.883	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-82.3	-2	179.5	70.5	-77.2	0	0	0	114.4	N48 T52	N48-W50 PolarHBondContact O-N 3.09Å; W50-T52 VanDerWaalsContact C-N 3.33Å; W50-T52 PolarHBondContact O-N 3.32Å
51	I	43.7	Very low	40.5	Very low	137 Å²	137	149.1 Å²	149.1	70%	0.703	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-81.6	-0.9	-171.2	-158.3	163.5	0	0	0	114.9	N49	N49-I51 VanDerWaalsContact C-N 3.29Å; N49-I51 PolarHBondContact O-N 3.29Å
52	T	48.1	Very low	41.1	Very low	111 Å²	111	145.6 Å²	145.6	68%	0.681	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-109.4	-16.4	-173.5	45.6	0	0	0	0	116	W50 V54	W50-T52 VanDerWaalsContact C-N 3.33Å; W50-T52 PolarHBondContact O-N 3.32Å; T52-V54 PolarHBondContact O-N 3.29Å
53	D	40.7	Very low	42.1	Very low	134 Å²	134	141.3 Å²	141.3	72%	0.717	73%	0.734	S	S	*	*			trans	-95.5	50.7	-168.8	-118.1	-21.7	0	0	0	114.3	K55	D53-K55 PolarHBondContact O-N 3.09Å
54	V	42.7	Very low	42.4	Very low	130 Å²	130	141.8 Å²	141.8	79%	0.788	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	55.5	-179.9	-165.1	0	0	0	0	111.5	T52	T52-V54 PolarHBondContact O-N 3.29Å
55	K	45.2	Very low	42.8	Very low	177 Å²	177	140.6 Å²	140.6	77%	0.77	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.3	-0.8	179.9	-70.3	-172.3	178.8	175.5	0	115.4	D53	D53-K55 PolarHBondContact O-N 3.09Å
56	S	45.7	Very low	43	Very low	97 Å²	97	138.5 Å²	138.5	68%	0.678	72%	0.721	S	S	*	*			trans	-85.9	-10.5	-176.1	-158.9	0	0	0	0	114.6	D58	S56-D58 PolarHBondContact O-N 3.09Å
57	L	42.5	Very low	43.1	Very low	133 Å²	133	140.4 Å²	140.4	70%	0.696	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-26.8	-168.7	-121.2	156	0	0	0	114.1	C59 F60	L57-C59 VanDerWaalsContact C-N 3.35Å; L57-C59 PolarHBondContact O-N 3.4Å; L57-F60 PolarHBondContact O-N 2.68Å
58	D	44.3	Very low	43.5	Very low	130 Å²	130	137.1 Å²	137.1	70%	0.695	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-32.1	-178.8	-62.7	-43.5	0	0	0	112.6	S56 F60	S56-D58 PolarHBondContact O-N 3.09Å; D58-F60 PolarHBondContact O-N 3.28Å; D58-F60 VanDerWaalsContact O-N 3.14Å
59	C	44.8	Very low	43.4	Very low	92 Å²	92	136.8 Å²	136.8	62%	0.622	73%	0.73	S	S	*	*	H	α-helix	trans	-64.4	-18.5	178.8	-74.3	0	0	0	0	114.2	L57 T63	L57-C59 VanDerWaalsContact C-N 3.35Å; L57-C59 PolarHBondContact O-N 3.4Å; C59-T63 PolarHBondContact O-OG1 2.9Å
60	F	40.4	Very low	43.2	Very low	151 Å²	151	133.2 Å²	133.2	66%	0.662	73%	0.727	S	S	*	*	H	α-helix	trans	-77.8	-24.6	-174	-159.4	-100	0	0	0	113.5	L57 D58	L57-F60 PolarHBondContact O-N 2.68Å; D58-F60 PolarHBondContact O-N 3.28Å; D58-F60 VanDerWaalsContact O-N 3.14Å
61	F	43.7	Very low	42.1	Very low	153 Å²	153	129.3 Å²	129.3	67%	0.671	72%	0.724	S	S	*	*	H	α-helix	trans	-91.5	-37.7	-177.7	-78.1	-81.2	0	0	0	114	T63 F64	F61-T63 PolarHBondContact O-N 2.7Å; F61-F64 PolarHBondContact O-N 3.23Å
62	D	47.5	Very low	41.7	Very low	112 Å²	112	132.2 Å²	132.2	60%	0.599	73%	0.731	S	S	*	*	H	α-helix	trans	-65.6	-23.9	-176.4	-80.3	-11.8	0	0	0	114.1	F64 S65 S66	D62-F64 PolarHBondContact O-N 3.23Å; D62-F64 VanDerWaalsContact O-N 3.15Å; D62-S65 PolarHBondContact O-N 2.94Å; D62-S66 PolarHBondContact O-OG 3Å
63	T	47.1	Very low	41	Very low	113 Å²	113	133.2 Å²	133.2	69%	0.693	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-21.2	177.6	-58.8	0	0	0	0	112.9	C59 F61	C59-T63 PolarHBondContact O-OG1 2.9Å; F61-T63 PolarHBondContact O-N 2.7Å
64	F	41.9	Very low	40.7	Very low	179 Å²	179	130.8 Å²	130.8	79%	0.785	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-5.9	-178.2	-82.7	-79.9	0	0	0	115.9	F61 D62	F61-F64 PolarHBondContact O-N 3.23Å; D62-F64 PolarHBondContact O-N 3.23Å; D62-F64 VanDerWaalsContact O-N 3.15Å
65	S	40.2	Very low	40.2	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	-8.5	-175.8	-62.5	0	0	0	0	115.3	D62 K67	D62-S65 PolarHBondContact O-N 2.94Å; S65-K67 PolarHBondContact O-N 2.87Å
66	S	41	Very low	39.4	Very low	89 Å²	89	131.2 Å²	131.2	62%	0.622	74%	0.741	S	S	*	*			trans	-91.2	106	-167.7	-61.4	0	0	0	0	113.7	D62 P68	D62-S66 PolarHBondContact O-OG 3Å; S66-P68 WeakPolarHBondContact O-CD 3.36Å
67	K	36.7	Very low	38.9	Very low	200 Å²	200	132 Å²	132	87%	0.87	75%	0.747	S	S	*	*			trans	-91.3	115.7	169.1	-75.7	-177.8	178.5	176.2	0	111.2	S65	S65-K67 PolarHBondContact O-N 2.87Å
68	P	42	Very low	38.6	Very low	129 Å²	129	134.6 Å²	134.6	84%	0.838	76%	0.755	S	S	*	*			trans	-76.5	135.5	167.4	30.4	-31.5	0	0	0	110.7	S66	S66-P68 WeakPolarHBondContact O-CD 3.36Å
69	S	37.2	Very low	38.2	Very low	123 Å²	123	135.9 Å²	135.9	86%	0.86	76%	0.762	S	S	*	*			trans	-107.2	150.3	173.2	57.2	0	0	0	0	110.4
70	G	35.7	Very low	37.8	Very low	68 Å²	68	136.9 Å²	136.9	70%	0.701	76%	0.761	S	S	*	*			trans	139.2	78.3	167.8	0	0	0	0	0	117.6
71	N	33.3	Very low	38.1	Very low	152 Å²	152	137 Å²	137	81%	0.813	77%	0.769	S	S	*	*			trans	38.6	110.7	138.4	-56	-18.9	0	0	0	120.2
72	K	35.6	Very low	38.4	Very low	197 Å²	197	134.5 Å²	134.5	86%	0.857	76%	0.756	S	S	*	*				-171.1	129	105.2	-98.2	154.6	-172.3	176.1	0	114.1
73	T	32.4	Very low	38.6	Very low	132 Å²	132	137 Å²	137	81%	0.81	76%	0.761	S	S	*	*			trans	10.8	138.6	138.9	52.2	0	0	0	0	119.3
74	A	34.5	Very low	39.2	Very low	84 Å²	84	140 Å²	140	69%	0.694	77%	0.771	S	S	*	*			cis	-163.1	173.4	10.6	0	0	0	0	0	112.7
75	K	31.8	Very low	40.4	Very low	208 Å²	208	138.3 Å²	138.3	90%	0.904	77%	0.771	S	S	*	*			trans	32.6	127.9	152.9	-64.1	172.8	-177.5	179.3	0	117.8
76	S	29.7	Very low	41.9	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	75%	0.751	S	S	*	*			cis	-164.6	177.5	41.1	55.6	0	0	0	0	114
77	S	34.6	Very low	43.3	Very low	115 Å²	115	140.3 Å²	140.3	80%	0.804	76%	0.763	S	S	*	*			trans	69.8	115.2	160.8	-58.3	0	0	0	0	118.4
78	Q	35.9	Very low	44.9	Very low	187 Å²	187	133.2 Å²	133.2	87%	0.874	73%	0.734	S	S	*	*			trans	-74.9	136.3	173.3	-63.6	166.6	-67.5	0	0	111
79	N	35.5	Very low	46.4	Very low	156 Å²	156	130.9 Å²	130.9	83%	0.834	72%	0.719	S	S	*	*			trans	-156.8	92.7	160	-129	-17.7	0	0	0	109.4	N81	N79-N81 VanDerWaalsContact C-N 3.27Å; N79-N81 PolarHBondContact O-N 2.96Å
80	N	37.7	Very low	48.2	Very low	114 Å²	114	130.9 Å²	130.9	61%	0.61	70%	0.701	S	S	*	*			trans	-77.9	73.2	-174	-77.3	13.7	0	0	0	111.6	Y82	N80-Y82 VanDerWaalsContact C-N 3.33Å; N80-Y82 HydrophobicContact CB-CD2 4.23Å; N80-Y82 HydrophobicContact CB-CE2 3.67Å; N80-Y82 PolarHBondContact ND2-OH 3.36Å; N80-Y82 VanDerWaalsContact ND2-OH 3.15Å; N80-Y82 WeakPolarHBondContact O-CD2 3.49Å; N80-Y82 PolarHBondContact O-N 3.14Å
81	N	46.3	Very low	50.1	Low	154 Å²	154	129.9 Å²	129.9	82%	0.824	68%	0.68	S	S	*	*			trans	-83.5	76.8	177.1	-156.2	1.4	0	0	0	110.1	N79	N79-N81 VanDerWaalsContact C-N 3.27Å; N79-N81 PolarHBondContact O-N 2.96Å
82	Y	48.9	Very low	51.8	Low	100 Å²	100	129.3 Å²	129.3	39%	0.392	67%	0.67	S	S	.	*			trans	-59.4	143.6	180	-65.9	-80.3	0	0	0	111.6	N80 I84 L91	N80-Y82 VanDerWaalsContact C-N 3.33Å; N80-Y82 HydrophobicContact CB-CD2 4.23Å; N80-Y82 HydrophobicContact CB-CE2 3.67Å; N80-Y82 PolarHBondContact ND2-OH 3.36Å; N80-Y82 VanDerWaalsContact ND2-OH 3.15Å; N80-Y82 WeakPolarHBondContact O-CD2 3.49Å; N80-Y82 PolarHBondContact O-N 3.14Å; Y82-I84 PolarHBondContact O-N 2.91Å; Y82-L91 HydrophobicContact CE1-CD2 4.05Å
83	K	52.5	Low	53.3	Low	164 Å²	164	127.6 Å²	127.6	71%	0.713	67%	0.67	S	S	*	*			trans	-65.4	133.5	-178	-73	176.5	178.4	173.4	0	110.1	N85 E86	K83-N85 PolarHBondContact O-N 2.91Å; K83-E86 WeakPolarHBondContact O-CB 3.41Å; K83-E86 PolarHBondContact O-N 3.48Å
84	I	59.2	Low	55.2	Low	175 Å²	175	123.7 Å²	123.7	90%	0.897	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-18.4	-179.2	-66.4	167.7	0	0	0	113.2	Y82	Y82-I84 PolarHBondContact O-N 2.91Å
85	N	68	Low	57	Low	145 Å²	145	121.5 Å²	121.5	78%	0.775	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	17	176.5	-88.9	8.5	0	0	0	114.8	K83 L87	K83-N85 PolarHBondContact O-N 2.91Å; N85-L87 PolarHBondContact O-N 3.38Å
86	E	70.8	Confident	59.2	Low	69 Å²	69	115.9 Å²	115.9	32%	0.322	63%	0.629	S	S	.	*			trans	-62.5	109.2	-179	-149.6	61.8	-115.9	0	0	111.3	K83 L91 K92	K83-E86 WeakPolarHBondContact O-CB 3.41Å; K83-E86 PolarHBondContact O-N 3.48Å; E86-L91 HydrophobicContact CG-CB 4.37Å; E86-K92 VanDerWaalsContact O-CE 3.25Å; E86-K92 WeakPolarHBondContact O-CE 3.42Å
87	L	71.7	Confident	61.3	Low	167 Å²	167	111.5 Å²	111.5	87%	0.874	60%	0.6	S	S	*	*			trans	-88.2	-14.2	-169.6	-93	159	0	0	0	113.7	N85 P89	N85-L87 PolarHBondContact O-N 3.38Å; L87-P89 WeakPolarHBondContact O-CD 3.25Å
88	N	70.7	Confident	63.1	Low	51 Å²	51	111.9 Å²	111.9	27%	0.273	59%	0.593	S	S	.	*			trans	-83.4	116.4	177.9	-175.2	-9.2	0	0	0	110.1	Y90 L91 G97	N88-Y90 VanDerWaalsContact C-N 3.27Å; N88-Y90 PolarHBondContact O-N 3.11Å; N88-Y90 WeakPolarHBondContact OD1-CD2 3.46Å; N88-Y90 PolarHBondContact OD1-N 3.35Å; N88-Y90 VanDerWaalsContact OD1-N 3.09Å; N88-L91 HydrophobicContact CB-CB 4.32Å; N88-L91 HydrophobicContact CB-CD1 4.14Å; N88-L91 PolarHBondContact O-N 3.43Å; N88-G97 PolarHBondContact ND2-O 2.99Å
89	P	72.6	Confident	64.3	Low	80 Å²	80	106.5 Å²	106.5	52%	0.519	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-62	-34	-179.2	25.3	-33.9	0	0	0	112.6	L87 L91 K92	L87-P89 WeakPolarHBondContact O-CD 3.25Å; P89-L91 PolarHBondContact O-N 2.92Å; P89-L91 VanDerWaalsContact O-N 3.09Å; P89-K92 PolarHBondContact O-N 3.32Å
90	Y	75.1	Confident	65.5	Low	123 Å²	123	105.2 Å²	105.2	48%	0.482	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-75.2	5	-177.2	-51.6	-70.1	0	0	0	114.3	N88 G95 G97 P99	N88-Y90 VanDerWaalsContact C-N 3.27Å; N88-Y90 PolarHBondContact O-N 3.11Å; N88-Y90 WeakPolarHBondContact OD1-CD2 3.46Å; N88-Y90 PolarHBondContact OD1-N 3.35Å; N88-Y90 VanDerWaalsContact OD1-N 3.09Å; Y90-G95 CarbonylContact O-C 3.57Å; Y90-G95 VanDerWaalsContact O-CA 3.3Å; Y90-G95 WeakPolarHBondContact O-CA 3.18Å; Y90-G97 WeakPolarHBondContact O-CA 3.14Å; Y90-G97 PolarHBondContact O-N 3.13Å; Y90-G97 VanDerWaalsContact O-N 3.08Å; Y90-P99 HydrophobicContact CD1-CB 4.29Å; Y90-P99 HydrophobicContact CD2-CB 4.35Å; Y90-P99 HydrophobicContact CE1-CB 3.91Å; Y90-P99 HydrophobicContact CE2-CB 3.97Å; Y90-P99 HydrophobicContact CE2-CG 4.32Å
91	L	75.4	Confident	66.3	Low	48 Å²	48	105.9 Å²	105.9	25%	0.251	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-110.9	-14.8	176.5	-109.7	146.9	0	0	0	113.2	Y82 E86 N88 P89	Y82-L91 HydrophobicContact CE1-CD2 4.05Å; E86-L91 HydrophobicContact CG-CB 4.37Å; N88-L91 HydrophobicContact CB-CB 4.32Å; N88-L91 HydrophobicContact CB-CD1 4.14Å; N88-L91 PolarHBondContact O-N 3.43Å; P89-L91 PolarHBondContact O-N 2.92Å; P89-L91 VanDerWaalsContact O-N 3.09Å
92	K	69.4	Low	66.4	Low	140 Å²	140	106 Å²	106	61%	0.609	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-42.1	-173.2	-74.7	-168.5	169.6	-172.3	0	113.4	E86 P89 G94	E86-K92 VanDerWaalsContact O-CE 3.25Å; E86-K92 WeakPolarHBondContact O-CE 3.42Å; P89-K92 PolarHBondContact O-N 3.32Å; K92-G94 VanDerWaalsContact C-N 3.26Å; K92-G94 PolarHBondContact O-N 3.26Å
93	D	67.6	Low	66	Low	160 Å²	160	107.6 Å²	107.6	86%	0.856	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	28.9	-175.2	-51.6	-42	0	0	0	112	G95	D93-G95 PolarHBondContact O-N 2.92Å
94	G	71.5	Confident	65.7	Low	51 Å²	51	105 Å²	105	53%	0.526	60%	0.599	S	S	.	*	S	Bend	trans	72.4	10.7	-175.8	0	0	0	0	0	114.9	K92	K92-G94 VanDerWaalsContact C-N 3.26Å; K92-G94 PolarHBondContact O-N 3.26Å
95	G	72.9	Confident	65.4	Low	37 Å²	37	102.4 Å²	102.4	38%	0.381	60%	0.596	S	S	.	*			trans	-65.2	168.9	178.4	0	0	0	0	0	114.1	Y90 D93 G97	Y90-G95 CarbonylContact O-C 3.57Å; Y90-G95 VanDerWaalsContact O-CA 3.3Å; Y90-G95 WeakPolarHBondContact O-CA 3.18Å; D93-G95 PolarHBondContact O-N 2.92Å; G95-G97 PolarHBondContact O-N 2.97Å
96	S	76.6	Confident	64.9	Low	91 Å²	91	100.3 Å²	100.3	64%	0.636	58%	0.58	S	S	*	*			trans	-67.4	-0.6	-174.6	61.9	0	0	0	0	115.2	L98	S96-L98 PolarHBondContact O-N 3.42Å; S96-L98 PolarHBondContact OG-N 2.82Å; S96-L98 PolarHBondContact OG-O 2.82Å
97	G	74.8	Confident	64.3	Low	15 Å²	15	98.7 Å²	98.7	16%	0.155	58%	0.577	C	S	.	*	S	Bend	trans	73	-3.5	-170.9	0	0	0	0	0	114.3	N88 Y90 G95	N88-G97 PolarHBondContact ND2-O 2.99Å; Y90-G97 WeakPolarHBondContact O-CA 3.14Å; Y90-G97 PolarHBondContact O-N 3.13Å; Y90-G97 VanDerWaalsContact O-N 3.08Å; G95-G97 PolarHBondContact O-N 2.97Å
98	L	71.6	Confident	64.2	Low	123 Å²	123	95.4 Å²	95.4	64%	0.644	56%	0.563	S	S	*	*	S	Bend	trans	-114	143	175.7	-70.9	160.7	0	0	0	109.1	S96	S96-L98 PolarHBondContact O-N 3.42Å; S96-L98 PolarHBondContact OG-N 2.82Å; S96-L98 PolarHBondContact OG-O 2.82Å
99	P	62.6	Low	64.4	Low	74 Å²	74	93.4 Å²	93.4	48%	0.481	55%	0.553	S	S	.	*			trans	-62.8	141.5	166	27.5	-33	0	0	0	109.9	Y90	Y90-P99 HydrophobicContact CD1-CB 4.29Å; Y90-P99 HydrophobicContact CD2-CB 4.35Å; Y90-P99 HydrophobicContact CE1-CB 3.91Å; Y90-P99 HydrophobicContact CE2-CB 3.97Å; Y90-P99 HydrophobicContact CE2-CG 4.32Å
100	N	59	Low	64.7	Low	129 Å²	129	92.6 Å²	92.6	69%	0.69	55%	0.546	S	S	*	.			trans	-56.7	143.6	168.1	-70.1	-3	0	0	0	109.5	E102	N100-E102 PolarHBondContact O-N 3.44Å
101	S	54.7	Low	64.9	Low	127 Å²	127	92.2 Å²	92.2	89%	0.888	55%	0.553	S	S	*	*	S	Bend	trans	-72.2	7.1	-176.5	52.4	0	0	0	0	114.7	T103	S101-T103 PolarHBondContact O-N 3.31Å
102	E	49.9	Very low	65.2	Low	157 Å²	157	97.2 Å²	97.2	73%	0.734	58%	0.58	S	S	*	*	S	Bend	trans	-84.9	90.1	-177.4	-65.2	-176.5	162.4	0	0	111	N100 S104	N100-E102 PolarHBondContact O-N 3.44Å; E102-S104 PolarHBondContact O-N 2.92Å
103	T	40.3	Very low	66	Low	134 Å²	134	92.3 Å²	92.3	82%	0.822	56%	0.56	S	S	*	*			trans	42.1	74.4	156	54	0	0	0	0	115.6	S101 S105	S101-T103 PolarHBondContact O-N 3.31Å; T103-S105 PolarHBondContact O-N 3.29Å; T103-S105 VanDerWaalsContact O-N 3.16Å
104	S	45.3	Very low	66.9	Low	110 Å²	110	86.7 Å²	86.7	77%	0.769	53%	0.528	S	S	*	.			trans	-56.2	122.3	158.5	51.9	0	0	0	0	109	E102 K106	E102-S104 PolarHBondContact O-N 2.92Å; S104-K106 PolarHBondContact O-N 3.45Å
105	S	53	Low	67.5	Low	119 Å²	119	88 Å²	88	83%	0.832	53%	0.53	S	S	*	.			trans	-64.6	103.2	-176.6	39.6	0	0	0	0	109.9	T103	T103-S105 PolarHBondContact O-N 3.29Å; T103-S105 VanDerWaalsContact O-N 3.16Å
106	K	56.8	Low	68.1	Low	101 Å²	101	92.8 Å²	92.8	44%	0.439	54%	0.537	S	S	.	.			trans	-60.9	142.4	179.7	-68	-172.2	177.1	-173.8	0	109.7	S104 V108 D144	S104-K106 PolarHBondContact O-N 3.45Å; K106-V108 PolarHBondContact O-N 2.97Å; K106-D144 HydrophobicContact CB-CB 4.14Å; K106-D144 WeakPolarHBondContact CB-OD1 3.46Å; K106-D144 HydrophobicContact CD-CB 4.03Å
107	S	58.9	Low	68.8	Low	36 Å²	36	88.5 Å²	88.5	25%	0.252	51%	0.506	S	S	.	.			trans	-75.5	92.1	-157.5	60.9	0	0	0	0	113.5	T147	S107-T147 VanDerWaalsContact O-CG2 3.24Å; S107-T147 WeakPolarHBondContact O-CG2 3.49Å; S107-T147 PolarHBondContact O-OG1 3Å
108	V	70.4	Confident	69.6	Low	97 Å²	97	90.7 Å²	90.7	59%	0.588	51%	0.51	S	S	*	.			trans	-47.3	140.1	167.3	-178.8	0	0	0	0	110.2	K106 T110 N113	K106-V108 PolarHBondContact O-N 2.97Å; V108-T110 PolarHBondContact O-N 3.1Å; V108-T110 VanDerWaalsContact O-N 3.1Å; V108-N113 PolarHBondContact O-ND2 2.88Å
109	L	74.9	Confident	70.4	Confident	10 Å²	10	91.5 Å²	91.5	5%	0.052	51%	0.509	C	S	.	.			trans	-77.1	101	-168.9	-165.1	149.5	0	0	0	111.3	L117 D150 M151 R154 F155	L109-L117 HydrophobicContact CB-CD1 4Å; L109-L117 HydrophobicContact CD1-CD1 3.89Å; L109-L117 HydrophobicContact CG-CD1 3.6Å; L109-D150 HydrophobicContact CB-CB 4.05Å; L109-D150 HydrophobicContact CD1-CB 4.15Å; L109-M151 HydrophobicContact CD1-CG 4.39Å; L109-R154 HydrophobicContact CD2-CG 4.47Å; L109-F155 HydrophobicContact CD1-CE2 3.93Å; L109-F155 HydrophobicContact CD1-CZ 4.03Å
110	T	78.9	Confident	71.7	Confident	63 Å²	63	88.5 Å²	88.5	39%	0.387	49%	0.49	S	S	.	.			trans	-102	161.2	173.6	69.9	0	0	0	0	110.4	V108 D112 N113 Q114	V108-T110 PolarHBondContact O-N 3.1Å; V108-T110 VanDerWaalsContact O-N 3.1Å; T110-D112 VanDerWaalsContact C-N 3.26Å; T110-D112 PolarHBondContact O-N 2.88Å; T110-N113 PolarHBondContact N-OD1 2.89Å; T110-N113 PolarHBondContact O-N 2.9Å; T110-N113 PolarHBondContact O-OD1 3.15Å; T110-N113 VanDerWaalsContact OG1-CG 3.28Å; T110-N113 PolarHBondContact OG1-N 3.34Å; T110-N113 PolarHBondContact OG1-ND2 3.32Å; T110-Q114 PolarHBondContact O-N 3.21Å
111	D	79.6	Confident	73.4	Confident	115 Å²	115	82.5 Å²	82.5	62%	0.615	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-28.4	-179.1	-72.3	-7.7	0	0	0	112.3	R154	D111-R154 IonicContact OD1-CZ 2.72Å; D111-R154 IonicContact OD1-NH1 3.7Å; D111-R154 PolarHBondContact OD1-NH1 3.4Å; D111-R154 IonicContact OD1-NH2 3.55Å
112	D	81	Confident	75.2	Confident	153 Å²	153	79 Å²	79	82%	0.818	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-44.4	172.5	-61.3	-44.2	0	0	0	112.4	T110	T110-D112 VanDerWaalsContact C-N 3.26Å; T110-D112 PolarHBondContact O-N 2.88Å
113	N	84.9	Confident	77.2	Confident	36 Å²	36	79.5 Å²	79.5	19%	0.193	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-12	-177.3	72.7	22.6	0	0	0	113.4	V108 T110 S115 W116 L117	V108-N113 PolarHBondContact O-ND2 2.88Å; T110-N113 PolarHBondContact N-OD1 2.89Å; T110-N113 PolarHBondContact O-N 2.9Å; T110-N113 PolarHBondContact O-OD1 3.15Å; T110-N113 VanDerWaalsContact OG1-CG 3.28Å; T110-N113 PolarHBondContact OG1-N 3.34Å; T110-N113 PolarHBondContact OG1-ND2 3.32Å; N113-S115 VanDerWaalsContact C-N 3.26Å; N113-S115 PolarHBondContact O-N 2.72Å; N113-S115 VanDerWaalsContact O-N 3.11Å; N113-W116 PolarHBondContact O-N 2.9Å; N113-L117 HydrophobicContact CB-CD1 4.49Å; N113-L117 WeakPolarHBondContact O-CG 3.42Å; N113-L117 PolarHBondContact O-N 2.95Å; N113-L117 WeakPolarHBondContact OD1-CD1 3.47Å
114	Q	86.4	Confident	79.7	Confident	42 Å²	42	73.1 Å²	73.1	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-50	-41.1	-179.3	-170.2	-174.9	64.6	0	0	113.4	T110 W116 L117 Y118 R154 F155	T110-Q114 PolarHBondContact O-N 3.21Å; Q114-W116 VanDerWaalsContact C-N 3.34Å; Q114-W116 PolarHBondContact O-N 3.23Å; Q114-L117 PolarHBondContact O-N 2.85Å; Q114-Y118 WeakPolarHBondContact O-CB 3.27Å; Q114-Y118 PolarHBondContact O-N 3.11Å; Q114-R154 VanDerWaalsContact NE2-NH1 3.16Å; Q114-F155 HydrophobicContact CG-CE1 3.72Å; Q114-F155 HydrophobicContact CG-CZ 3.72Å
115	S	85	Confident	82	Confident	80 Å²	80	68.5 Å²	68.5	56%	0.559	35%	0.351	S	S	*	.	H	α-helix	trans	-70.8	-27.6	-177.5	76.6	0	0	0	0	113.9	N113 K119	N113-S115 VanDerWaalsContact C-N 3.26Å; N113-S115 PolarHBondContact O-N 2.72Å; N113-S115 VanDerWaalsContact O-N 3.11Å; S115-K119 WeakPolarHBondContact O-CG 3.3Å
116	W	86	Confident	83.8	Confident	137 Å²	137	65.8 Å²	65.8	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-81.4	-43.1	173.1	174	80.4	0	0	0	111	N113 Q114 Y118 K119 S120 W143	N113-W116 PolarHBondContact O-N 2.9Å; Q114-W116 VanDerWaalsContact C-N 3.34Å; Q114-W116 PolarHBondContact O-N 3.23Å; W116-Y118 VanDerWaalsContact C-N 3.33Å; W116-Y118 PolarHBondContact O-N 3.15Å; W116-K119 PolarHBondContact O-N 2.97Å; W116-S120 WeakPolarHBondContact O-CB 3.39Å; W116-S120 PolarHBondContact O-N 3.36Å; W116-S120 PolarHBondContact O-OG 3.15Å; W116-W143 HydrophobicContact CH2-CZ2 4.06Å; W116-W143 HydrophobicContact CZ3-CZ2 4.39Å
117	L	90.2	Very high	85.5	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.9	-41.4	175.2	-66.6	175	0	0	0	111.3	L109 N113 Q114 S120 F121 M151 F155	L109-L117 HydrophobicContact CB-CD1 4Å; L109-L117 HydrophobicContact CD1-CD1 3.89Å; L109-L117 HydrophobicContact CG-CD1 3.6Å; N113-L117 HydrophobicContact CB-CD1 4.49Å; N113-L117 WeakPolarHBondContact O-CG 3.42Å; N113-L117 PolarHBondContact O-N 2.95Å; N113-L117 WeakPolarHBondContact OD1-CD1 3.47Å; Q114-L117 PolarHBondContact O-N 2.85Å; L117-S120 CarbonylContact O-C 3.58Å; L117-S120 PolarHBondContact O-N 2.94Å; L117-F121 WeakPolarHBondContact O-CB 3.33Å; L117-F121 PolarHBondContact O-N 3.32Å; L117-M151 HydrophobicContact CB-CE 4.02Å; L117-M151 HydrophobicContact CD2-CE 3.46Å; L117-M151 VanDerWaalsContact CD2-CE 3.46Å; L117-M151 HydrophobicContact CG-CE 4.26Å; L117-F155 HydrophobicContact CB-CE2 3.95Å; L117-F155 HydrophobicContact CB-CZ 4.21Å
118	Y	91.7	Very high	87.2	Confident	61 Å²	61	62.7 Å²	62.7	24%	0.239	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-43.4	175.9	-176.8	-120.6	0	0	0	113.2	Q114 W116 S120 F121 I122 F155 R158	Q114-Y118 WeakPolarHBondContact O-CB 3.27Å; Q114-Y118 PolarHBondContact O-N 3.11Å; W116-Y118 VanDerWaalsContact C-N 3.33Å; W116-Y118 PolarHBondContact O-N 3.15Å; Y118-S120 VanDerWaalsContact C-N 3.29Å; Y118-S120 PolarHBondContact O-N 3.39Å; Y118-F121 PolarHBondContact O-N 2.93Å; Y118-I122 HydrophobicContact CD1-CD1 4.09Å; Y118-I122 HydrophobicContact CE1-CD1 3.67Å; Y118-I122 HydrophobicContact CE2-CD1 4.25Å; Y118-I122 HydrophobicContact CE2-CG1 4.4Å; Y118-I122 WeakPolarHBondContact O-CG1 3.41Å; Y118-I122 PolarHBondContact O-N 2.89Å; Y118-F155 HydrophobicContact CD2-CB 4.06Å; Y118-F155 AromaticContact CD2-CD1 3.51Å; Y118-F155 HydrophobicContact CD2-CD1 3.51Å; Y118-F155 HydrophobicContact CD2-CD2 4.37Å; Y118-F155 AromaticContact CD2-CE1 3.97Å; Y118-F155 HydrophobicContact CD2-CE1 3.97Å; Y118-F155 AromaticContact CD2-CG 3.74Å; Y118-F155 HydrophobicContact CD2-CG 3.74Å; Y118-F155 HydrophobicContact CE2-CB 4.37Å; Y118-F155 HydrophobicContact CE2-CD1 4.28Å; Y118-F155 HydrophobicContact CE2-CG 4.49Å; Y118-F155 HydrophobicContact CG-CD1 4.25Å; Y118-F155 HydrophobicContact CG-CE1 4.25Å; Y118-R158 HydrophobicContact CE2-CB 4.4Å
119	K	89.9	Confident	88.2	Confident	140 Å²	140	64 Å²	64	61%	0.609	32%	0.315	S	S	*	.	H	α-helix	trans	-64.5	-35.7	175.1	-74.8	172	-178.3	167.4	0	112	S115 W116 R123	S115-K119 WeakPolarHBondContact O-CG 3.3Å; W116-K119 PolarHBondContact O-N 2.97Å; K119-R123 WeakPolarHBondContact O-CG 3.5Å; K119-R123 PolarHBondContact O-N 3.26Å
120	S	89.8	Confident	88.9	Confident	12 Å²	12	71 Å²	71	8%	0.084	35%	0.347	C	S	.	.	H	α-helix	trans	-73.9	-36	177.1	-62.1	0	0	0	0	112.2	W116 L117 Y118 R123 C124	W116-S120 WeakPolarHBondContact O-CB 3.39Å; W116-S120 PolarHBondContact O-N 3.36Å; W116-S120 PolarHBondContact O-OG 3.15Å; L117-S120 CarbonylContact O-C 3.58Å; L117-S120 PolarHBondContact O-N 2.94Å; Y118-S120 VanDerWaalsContact C-N 3.29Å; Y118-S120 PolarHBondContact O-N 3.39Å; S120-R123 PolarHBondContact O-N 2.99Å; S120-C124 PolarHBondContact O-N 2.94Å; S120-C124 PolarHBondContact O-SG 3.44Å
121	F	93.9	Very high	89.5	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.009	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-49.4	171.2	-179.6	-95.1	0	0	0	111.2	L117 Y118 R123 C124 V125 L135 L139 M151 L152 F155 H159	L117-F121 WeakPolarHBondContact O-CB 3.33Å; L117-F121 PolarHBondContact O-N 3.32Å; Y118-F121 PolarHBondContact O-N 2.93Å; F121-R123 VanDerWaalsContact C-N 3.3Å; F121-R123 PolarHBondContact O-N 2.88Å; F121-C124 CarbonylContact O-C 3.54Å; F121-C124 PolarHBondContact O-N 3Å; F121-V125 HydrophobicContact CD1-CG2 4.01Å; F121-V125 HydrophobicContact CE1-CG2 3.76Å; F121-V125 HydrophobicContact CZ-CG2 4.11Å; F121-V125 WeakPolarHBondContact O-CG2 3.24Å; F121-V125 PolarHBondContact O-N 2.72Å; F121-L135 HydrophobicContact CE2-CD2 4.12Å; F121-L135 HydrophobicContact CZ-CD2 3.97Å; F121-L139 HydrophobicContact CD2-CD1 3.89Å; F121-L139 HydrophobicContact CD2-CD2 4.11Å; F121-L139 HydrophobicContact CE2-CD1 3.8Å; F121-M151 HydrophobicContact CB-SD 4.22Å; F121-M151 HydrophobicContact CD2-CB 4.02Å; F121-M151 HydrophobicContact CD2-SD 4.04Å; F121-M151 HydrophobicContact CE2-CB 4.39Å; F121-L152 HydrophobicContact CE2-CD2 4.12Å; F121-F155 HydrophobicContact CB-CD2 4.01Å; F121-F155 HydrophobicContact CD1-CB 3.71Å; F121-F155 HydrophobicContact CD1-CD2 4.46Å; F121-F155 HydrophobicContact CD1-CG 4.48Å; F121-F155 HydrophobicContact CD2-CB 4.4Å; F121-F155 HydrophobicContact CD2-CD2 4.28Å; F121-F155 HydrophobicContact CE1-CB 3.72Å; F121-F155 HydrophobicContact CE2-CB 4.4Å; F121-F155 HydrophobicContact CG-CB 4.06Å; F121-F155 HydrophobicContact CG-CD2 4.02Å; F121-F155 HydrophobicContact CG-CG 4.48Å; F121-F155 HydrophobicContact CZ-CB 4.07Å; F121-H159 HydrophobicContact CE1-CB 4.25Å
122	I	92.5	Very high	90.1	Very high	53 Å²	53	69.7 Å²	69.7	27%	0.272	36%	0.357	S	S	.	.	H	α-helix	trans	-54.1	-46.8	175	-69.5	167.7	0	0	0	111.1	Y118 C124 V125 D126	Y118-I122 HydrophobicContact CD1-CD1 4.09Å; Y118-I122 HydrophobicContact CE1-CD1 3.67Å; Y118-I122 HydrophobicContact CE2-CD1 4.25Å; Y118-I122 HydrophobicContact CE2-CG1 4.4Å; Y118-I122 WeakPolarHBondContact O-CG1 3.41Å; Y118-I122 PolarHBondContact O-N 2.89Å; I122-C124 VanDerWaalsContact C-N 3.33Å; I122-C124 PolarHBondContact O-N 3.11Å; I122-V125 WeakPolarHBondContact O-CB 3.39Å; I122-V125 PolarHBondContact O-N 3.36Å; I122-V125 VanDerWaalsContact O-N 3.12Å; I122-D126 PolarHBondContact O-N 3.16Å
123	R	91.6	Very high	90.6	Very high	169 Å²	169	65.4 Å²	65.4	64%	0.638	34%	0.336	S	S	*	.	H	α-helix	trans	-59.3	-41.3	175.7	-72.5	174.2	176.1	178.4	-3.6	112.7	K119 S120 F121 V125 D126 T127	K119-R123 WeakPolarHBondContact O-CG 3.5Å; K119-R123 PolarHBondContact O-N 3.26Å; S120-R123 PolarHBondContact O-N 2.99Å; F121-R123 VanDerWaalsContact C-N 3.3Å; F121-R123 PolarHBondContact O-N 2.88Å; R123-V125 VanDerWaalsContact C-N 3.31Å; R123-D126 PolarHBondContact O-N 2.96Å; R123-T127 PolarHBondContact O-N 3.45Å; R123-T127 PolarHBondContact O-OG1 2.85Å; R123-T127 VanDerWaalsContact O-OG1 3.08Å
124	C	93.4	Very high	90.9	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-69.7	-29.7	177.5	-60.9	0	0	0	0	112.2	S120 F121 I122 S128 L135 V138 L139 R142	S120-C124 PolarHBondContact O-N 2.94Å; S120-C124 PolarHBondContact O-SG 3.44Å; F121-C124 CarbonylContact O-C 3.54Å; F121-C124 PolarHBondContact O-N 3Å; I122-C124 VanDerWaalsContact C-N 3.33Å; I122-C124 PolarHBondContact O-N 3.11Å; C124-S128 WeakPolarHBondContact O-CB 3.25Å; C124-S128 PolarHBondContact O-N 3.25Å; C124-L135 HydrophobicContact CB-CD1 4.24Å; C124-V138 HydrophobicContact CB-CG1 3.86Å; C124-L139 HydrophobicContact CB-CD2 3.6Å; C124-L139 HydrophobicContact CB-CG 4.29Å; C124-R142 PolarHBondContact SG-NH1 3.28Å
125	V	93.7	Very high	91.3	Very high	13 Å²	13	67.3 Å²	67.3	8%	0.079	35%	0.353	C	S	.	.	H	α-helix	trans	-69.1	-36.9	170.5	175.6	0	0	0	0	111.7	F121 I122 R123 K129 L135 H159	F121-V125 HydrophobicContact CD1-CG2 4.01Å; F121-V125 HydrophobicContact CE1-CG2 3.76Å; F121-V125 HydrophobicContact CZ-CG2 4.11Å; F121-V125 WeakPolarHBondContact O-CG2 3.24Å; F121-V125 PolarHBondContact O-N 2.72Å; I122-V125 WeakPolarHBondContact O-CB 3.39Å; I122-V125 PolarHBondContact O-N 3.36Å; I122-V125 VanDerWaalsContact O-N 3.12Å; R123-V125 VanDerWaalsContact C-N 3.31Å; V125-K129 WeakPolarHBondContact O-CE 3.42Å; V125-K129 WeakPolarHBondContact O-CG 3.38Å; V125-K129 PolarHBondContact O-N 2.94Å; V125-L135 HydrophobicContact CB-CD1 4.33Å; V125-L135 HydrophobicContact CG2-CD1 3.58Å; V125-L135 HydrophobicContact CG2-CD2 3.74Å; V125-L135 HydrophobicContact CG2-CG 4.32Å; V125-H159 VanDerWaalsContact CG1-CE1 3.49Å; V125-H159 WeakPolarHBondContact CG1-CE1 3.36Å
126	D	91.4	Very high	91.6	Very high	61 Å²	61	67.6 Å²	67.6	33%	0.326	34%	0.342	S	S	.	.	H	α-helix	trans	-70.3	-48.3	174.1	-66.7	-31.7	0	0	0	111.2	I122 R123 S128 K129 E130	I122-D126 PolarHBondContact O-N 3.16Å; R123-D126 PolarHBondContact O-N 2.96Å; D126-S128 VanDerWaalsContact C-N 3.26Å; D126-S128 PolarHBondContact O-N 3.5Å; D126-K129 WeakPolarHBondContact O-CB 3.47Å; D126-K129 PolarHBondContact O-N 2.88Å; D126-K129 IonicContact OD1-NZ 3.68Å; D126-K129 PolarHBondContact OD1-NZ 3.14Å; D126-E130 WeakPolarHBondContact O-CG 3.22Å; D126-E130 PolarHBondContact O-N 3.25Å
127	T	91.5	Very high	92	Very high	50 Å²	50	63.1 Å²	63.1	31%	0.307	33%	0.332	S	S	.	.	H	α-helix	trans	-59.6	-33.6	173.7	-55.9	0	0	0	0	113	R123 K129 E130 T131 V138	R123-T127 PolarHBondContact O-N 3.45Å; R123-T127 PolarHBondContact O-OG1 2.85Å; R123-T127 VanDerWaalsContact O-OG1 3.08Å; T127-K129 VanDerWaalsContact C-N 3.33Å; T127-K129 PolarHBondContact O-N 2.89Å; T127-E130 WeakPolarHBondContact CA-OE2 3.15Å; T127-E130 PolarHBondContact O-N 3.12Å; T127-T131 HydrophobicContact CG2-CG2 4.06Å; T127-T131 WeakPolarHBondContact O-CB 3.48Å; T127-T131 WeakPolarHBondContact O-CG2 3.43Å; T127-T131 PolarHBondContact O-N 3.48Å; T127-T131 PolarHBondContact O-OG1 2.65Å; T127-V138 HydrophobicContact CG2-CG1 4.4Å
128	S	93.6	Very high	92.1	Very high	23 Å²	23	63.5 Å²	63.5	16%	0.161	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-34.2	173.9	176.7	0	0	0	0	112.5	C124 D126 G132 V133 L135	C124-S128 WeakPolarHBondContact O-CB 3.25Å; C124-S128 PolarHBondContact O-N 3.25Å; D126-S128 VanDerWaalsContact C-N 3.26Å; D126-S128 PolarHBondContact O-N 3.5Å; S128-G132 WeakPolarHBondContact O-CA 3.38Å; S128-G132 PolarHBondContact O-N 3.47Å; S128-G132 VanDerWaalsContact O-N 3.11Å; S128-V133 WeakPolarHBondContact CB-O 3.33Å; S128-V133 PolarHBondContact OG-O 3.31Å; S128-L135 PolarHBondContact OG-N 3.35Å
129	K	92.5	Very high	92.1	Very high	125 Å²	125	60.6 Å²	60.6	54%	0.543	32%	0.323	S	S	.	.	H	α-helix	trans	-72.1	-43.5	171.9	-60	158.6	-159.3	161.3	0	111.6	V125 D126 T127 T131	V125-K129 WeakPolarHBondContact O-CE 3.42Å; V125-K129 WeakPolarHBondContact O-CG 3.38Å; V125-K129 PolarHBondContact O-N 2.94Å; D126-K129 WeakPolarHBondContact O-CB 3.47Å; D126-K129 PolarHBondContact O-N 2.88Å; D126-K129 IonicContact OD1-NZ 3.68Å; D126-K129 PolarHBondContact OD1-NZ 3.14Å; T127-K129 VanDerWaalsContact C-N 3.33Å; T127-K129 PolarHBondContact O-N 2.89Å; K129-T131 VanDerWaalsContact C-N 3.35Å; K129-T131 PolarHBondContact O-N 3.11Å
130	E	90	Very high	92.3	Very high	155 Å²	155	57 Å²	57	72%	0.724	31%	0.31	S	S	*	.	H	α-helix	trans	-66.2	-35.5	-176.8	-69.1	165.7	165.9	0	0	112.5	D126 T127	D126-E130 WeakPolarHBondContact O-CG 3.22Å; D126-E130 PolarHBondContact O-N 3.25Å; T127-E130 WeakPolarHBondContact CA-OE2 3.15Å; T127-E130 PolarHBondContact O-N 3.12Å
131	T	91.3	Very high	92.3	Very high	81 Å²	81	64.1 Å²	64.1	50%	0.497	34%	0.342	S	S	.	.	H	α-helix	trans	-99.7	-12.2	-177.3	59.2	0	0	0	0	114.3	T127 K129 V133	T127-T131 HydrophobicContact CG2-CG2 4.06Å; T127-T131 WeakPolarHBondContact O-CB 3.48Å; T127-T131 WeakPolarHBondContact O-CG2 3.43Å; T127-T131 PolarHBondContact O-N 3.48Å; T127-T131 PolarHBondContact O-OG1 2.65Å; K129-T131 VanDerWaalsContact C-N 3.35Å; K129-T131 PolarHBondContact O-N 3.11Å; T131-V133 PolarHBondContact O-N 3.16Å; T131-V133 VanDerWaalsContact O-N 3.16Å; T131-V133 WeakPolarHBondContact OG1-CB 3.03Å; T131-V133 PolarHBondContact OG1-N 3.4Å
132	G	91.3	Very high	92.1	Very high	70 Å²	70	70.8 Å²	70.8	72%	0.722	37%	0.367	S	S	*	.			trans	68.6	0.1	-170.6	0	0	0	0	0	114.8	S128	S128-G132 WeakPolarHBondContact O-CA 3.38Å; S128-G132 PolarHBondContact O-N 3.47Å; S128-G132 VanDerWaalsContact O-N 3.11Å
133	V	91.5	Very high	91.9	Very high	63 Å²	63	69 Å²	69	38%	0.382	36%	0.357	S	S	.	.			trans	-78.5	141.9	-178	176.9	0	0	0	0	110.4	S128 T131 L135 S137 V138	S128-V133 WeakPolarHBondContact CB-O 3.33Å; S128-V133 PolarHBondContact OG-O 3.31Å; T131-V133 PolarHBondContact O-N 3.16Å; T131-V133 VanDerWaalsContact O-N 3.16Å; T131-V133 WeakPolarHBondContact OG1-CB 3.03Å; T131-V133 PolarHBondContact OG1-N 3.4Å; V133-L135 PolarHBondContact O-N 2.68Å; V133-S137 WeakPolarHBondContact CG1-OG 3.33Å; V133-V138 HydrophobicContact CB-CG2 4.08Å; V133-V138 HydrophobicContact CG1-CG2 3.84Å
134	S	92.8	Very high	91.8	Very high	75 Å²	75	63.4 Å²	63.4	52%	0.524	34%	0.339	S	S	.	.			trans	-61.9	135.6	-175.3	74.7	0	0	0	0	112.4	R136 S137 V138	S134-R136 PolarHBondContact O-N 3.26Å; S134-R136 VanDerWaalsContact O-N 3.11Å; S134-S137 PolarHBondContact O-N 2.9Å; S134-S137 PolarHBondContact O-OG 2.88Å; S134-S137 PolarHBondContact OG-OG 3.27Å; S134-V138 PolarHBondContact O-N 2.94Å; S134-V138 VanDerWaalsContact O-N 3.15Å
135	L	93	Very high	91.6	Very high	43 Å²	43	68.4 Å²	68.4	23%	0.225	36%	0.363	C	S	.	.	H	α-helix	trans	-51.5	-40.8	-177.1	177.3	60.5	0	0	0	113.2	F121 C124 V125 S128 V133 S137 V138 L139 L152	F121-L135 HydrophobicContact CE2-CD2 4.12Å; F121-L135 HydrophobicContact CZ-CD2 3.97Å; C124-L135 HydrophobicContact CB-CD1 4.24Å; V125-L135 HydrophobicContact CB-CD1 4.33Å; V125-L135 HydrophobicContact CG2-CD1 3.58Å; V125-L135 HydrophobicContact CG2-CD2 3.74Å; V125-L135 HydrophobicContact CG2-CG 4.32Å; S128-L135 PolarHBondContact OG-N 3.35Å; V133-L135 PolarHBondContact O-N 2.68Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.38Å; L135-V138 PolarHBondContact O-N 3.35Å; L135-L139 HydrophobicContact CD1-CD1 3.96Å; L135-L139 HydrophobicContact CD1-CG 4.01Å; L135-L139 HydrophobicContact CG-CD1 3.88Å; L135-L139 HydrophobicContact CG-CG 4.35Å; L135-L139 WeakPolarHBondContact O-CB 3.48Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.27Å; L135-L139 PolarHBondContact O-N 3.49Å; L135-L152 HydrophobicContact CD2-CD2 4.11Å
136	R	92.7	Very high	91.3	Very high	86 Å²	86	69.8 Å²	69.8	33%	0.325	38%	0.38	S	S	.	.	H	α-helix	trans	-60.5	-39.8	178.7	-168.6	-178.7	-176.6	84.2	-0.3	111.9	S134 L139 L140 E145 V148 N149 L152	S134-R136 PolarHBondContact O-N 3.26Å; S134-R136 VanDerWaalsContact O-N 3.11Å; R136-L139 PolarHBondContact O-N 3.12Å; R136-L140 HydrophobicContact CG-CD1 3.97Å; R136-L140 HydrophobicContact CG-CG 4.47Å; R136-L140 WeakPolarHBondContact O-CB 3.23Å; R136-L140 VanDerWaalsContact O-CG 3.27Å; R136-L140 WeakPolarHBondContact O-CG 3.32Å; R136-L140 PolarHBondContact O-N 2.87Å; R136-E145 IonicContact CZ-OE1 2.61Å; R136-E145 IonicContact NE-OE1 3.82Å; R136-E145 IonicContact NH2-OE1 3.86Å; R136-E145 PolarHBondContact NH2-OE1 3.44Å; R136-V148 HydrophobicContact CG-CG1 4.26Å; R136-N149 VanDerWaalsContact CZ-OD1 3.28Å; R136-N149 PolarHBondContact NH1-OD1 3.4Å; R136-N149 PolarHBondContact NH2-OD1 2.89Å; R136-L152 HydrophobicContact CG-CD1 4.38Å
137	S	92.8	Very high	91.1	Very high	44 Å²	44	67 Å²	67	31%	0.308	37%	0.365	S	S	.	.	H	α-helix	trans	-74.9	-36.8	179.3	60.6	0	0	0	0	112.8	V133 S134 L135 L139 L140 Q141	V133-S137 WeakPolarHBondContact CG1-OG 3.33Å; S134-S137 PolarHBondContact O-N 2.9Å; S134-S137 PolarHBondContact O-OG 2.88Å; S134-S137 PolarHBondContact OG-OG 3.27Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.38Å; S137-L139 VanDerWaalsContact C-N 3.27Å; S137-L139 PolarHBondContact O-N 3.01Å; S137-L140 PolarHBondContact O-N 3.02Å; S137-Q141 PolarHBondContact O-N 3.08Å; S137-Q141 VanDerWaalsContact O-N 3.11Å
138	V	93.2	Very high	91	Very high	8 Å²	8	64.6 Å²	64.6	5%	0.048	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-35.1	170.8	-176.3	0	0	0	0	111.7	C124 T127 V133 S134 L135	C124-V138 HydrophobicContact CB-CG1 3.86Å; T127-V138 HydrophobicContact CG2-CG1 4.4Å; V133-V138 HydrophobicContact CB-CG2 4.08Å; V133-V138 HydrophobicContact CG1-CG2 3.84Å; S134-V138 PolarHBondContact O-N 2.94Å; S134-V138 VanDerWaalsContact O-N 3.15Å; L135-V138 PolarHBondContact O-N 3.35Å
139	L	92.8	Very high	90.9	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-74.7	-43.2	175.5	-68.7	173	0	0	0	112.6	F121 C124 L135 R136 S137 Q141 R142 W143 V148 M151 L152	F121-L139 HydrophobicContact CD2-CD1 3.89Å; F121-L139 HydrophobicContact CD2-CD2 4.11Å; F121-L139 HydrophobicContact CE2-CD1 3.8Å; C124-L139 HydrophobicContact CB-CD2 3.6Å; C124-L139 HydrophobicContact CB-CG 4.29Å; L135-L139 HydrophobicContact CD1-CD1 3.96Å; L135-L139 HydrophobicContact CD1-CG 4.01Å; L135-L139 HydrophobicContact CG-CD1 3.88Å; L135-L139 HydrophobicContact CG-CG 4.35Å; L135-L139 WeakPolarHBondContact O-CB 3.48Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.27Å; L135-L139 PolarHBondContact O-N 3.49Å; R136-L139 PolarHBondContact O-N 3.12Å; S137-L139 VanDerWaalsContact C-N 3.27Å; S137-L139 PolarHBondContact O-N 3.01Å; L139-Q141 VanDerWaalsContact C-N 3.26Å; L139-Q141 PolarHBondContact O-N 2.77Å; L139-R142 PolarHBondContact O-N 2.99Å; L139-W143 HydrophobicContact CD2-CE3 4.05Å; L139-W143 HydrophobicContact CD2-CZ3 3.82Å; L139-W143 PolarHBondContact O-N 3.32Å; L139-V148 HydrophobicContact CB-CB 4.47Å; L139-V148 HydrophobicContact CB-CG1 3.8Å; L139-V148 HydrophobicContact CB-CG2 3.85Å; L139-V148 HydrophobicContact CD1-CG1 4.2Å; L139-M151 HydrophobicContact CD2-SD 3.79Å; L139-L152 HydrophobicContact CD1-CD2 4.12Å; L139-L152 HydrophobicContact CD1-CG 4.28Å
140	L	93	Very high	90.6	Very high	64 Å²	64	63.6 Å²	63.6	34%	0.335	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-25.6	178.3	-76.5	167.6	0	0	0	113.6	R136 S137 R142 E145 V148	R136-L140 HydrophobicContact CG-CD1 3.97Å; R136-L140 HydrophobicContact CG-CG 4.47Å; R136-L140 WeakPolarHBondContact O-CB 3.23Å; R136-L140 VanDerWaalsContact O-CG 3.27Å; R136-L140 WeakPolarHBondContact O-CG 3.32Å; R136-L140 PolarHBondContact O-N 2.87Å; S137-L140 PolarHBondContact O-N 3.02Å; L140-R142 PolarHBondContact O-N 3.36Å; L140-E145 HydrophobicContact CD2-CB 3.87Å; L140-E145 HydrophobicContact CD2-CG 4.2Å; L140-V148 HydrophobicContact CD2-CB 4.32Å; L140-V148 HydrophobicContact CD2-CG2 4.04Å; L140-V148 HydrophobicContact CG-CG1 4.4Å; L140-V148 HydrophobicContact CG-CG2 4.28Å
141	Q	90.6	Very high	90.6	Very high	162 Å²	162	56.2 Å²	56.2	76%	0.757	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.1	169.7	-78.5	-177.5	-12.7	0	0	113.4	S137 L139	S137-Q141 PolarHBondContact O-N 3.08Å; S137-Q141 VanDerWaalsContact O-N 3.11Å; L139-Q141 VanDerWaalsContact C-N 3.26Å; L139-Q141 PolarHBondContact O-N 2.77Å
142	R	88.2	Confident	90.6	Very high	141 Å²	141	54.5 Å²	54.5	53%	0.532	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-46.9	-177.9	-78.3	-178.7	167.6	132.8	2.2	113.2	C124 L139 L140	C124-R142 PolarHBondContact SG-NH1 3.28Å; L139-R142 PolarHBondContact O-N 2.99Å; L140-R142 PolarHBondContact O-N 3.36Å
143	W	89.9	Confident	90.4	Very high	17 Å²	17	57 Å²	57	6%	0.064	30%	0.299	C	S	.	.	S	Bend	trans	-111.7	163.1	-174.5	-63.3	-83.5	0	0	0	112.8	W116 L139 T147 V148 M151	W116-W143 HydrophobicContact CH2-CZ2 4.06Å; W116-W143 HydrophobicContact CZ3-CZ2 4.39Å; L139-W143 HydrophobicContact CD2-CE3 4.05Å; L139-W143 HydrophobicContact CD2-CZ3 3.82Å; L139-W143 PolarHBondContact O-N 3.32Å; W143-T147 HydrophobicContact CB-CG2 3.95Å; W143-T147 HydrophobicContact CG-CG2 3.95Å; W143-V148 HydrophobicContact CB-CG2 3.81Å; W143-M151 HydrophobicContact CD2-CE 3.43Å; W143-M151 VanDerWaalsContact CD2-CE 3.43Å; W143-M151 HydrophobicContact CD2-SD 4.44Å; W143-M151 VanDerWaalsContact CE2-CE 3.47Å; W143-M151 HydrophobicContact CE3-CE 3.61Å; W143-M151 HydrophobicContact CE3-SD 4.13Å; W143-M151 HydrophobicContact CG-CE 4.03Å; W143-M151 HydrophobicContact CH2-CE 3.98Å; W143-M151 HydrophobicContact CZ2-CE 3.77Å; W143-M151 HydrophobicContact CZ3-CE 3.88Å; W143-M151 HydrophobicContact CZ3-SD 4.38Å
144	D	88.2	Confident	90.1	Very high	50 Å²	50	58.6 Å²	58.6	27%	0.267	30%	0.298	S	S	.	.			trans	-70.5	158	169.1	60.2	-72.7	0	0	0	111.1	K106 G146 T147 V148	K106-D144 HydrophobicContact CB-CB 4.14Å; K106-D144 WeakPolarHBondContact CB-OD1 3.46Å; K106-D144 HydrophobicContact CD-CB 4.03Å; D144-G146 VanDerWaalsContact C-N 3.25Å; D144-G146 PolarHBondContact O-N 2.87Å; D144-G146 PolarHBondContact OD2-N 3.43Å; D144-T147 VanDerWaalsContact CG-OG1 3.28Å; D144-T147 PolarHBondContact O-N 3.37Å; D144-T147 WeakPolarHBondContact OD1-CB 3.42Å; D144-T147 PolarHBondContact OD1-OG1 3.05Å; D144-T147 PolarHBondContact OD2-N 2.93Å; D144-T147 PolarHBondContact OD2-OG1 3.36Å; D144-T147 VanDerWaalsContact OD2-OG1 3.14Å; D144-V148 WeakPolarHBondContact O-CG2 3.34Å; D144-V148 PolarHBondContact O-N 3.26Å
145	E	89	Confident	90	Very high	106 Å²	106	55 Å²	55	50%	0.495	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-27.9	-174	-171.7	155.6	-138.3	0	0	113.8	R136 L140 N149	R136-E145 IonicContact CZ-OE1 2.61Å; R136-E145 IonicContact NE-OE1 3.82Å; R136-E145 IonicContact NH2-OE1 3.86Å; R136-E145 PolarHBondContact NH2-OE1 3.44Å; L140-E145 HydrophobicContact CD2-CB 3.87Å; L140-E145 HydrophobicContact CD2-CG 4.2Å; E145-N149 WeakPolarHBondContact O-CB 3.44Å; E145-N149 PolarHBondContact O-N 3.32Å; E145-N149 PolarHBondContact O-ND2 3.45Å; E145-N149 VanDerWaalsContact O-ND2 3.09Å
146	G	87.6	Confident	89.3	Confident	42 Å²	42	54.1 Å²	54.1	43%	0.433	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-57.6	171.9	0	0	0	0	0	111.4	D144 V148 N149 D150	D144-G146 VanDerWaalsContact C-N 3.25Å; D144-G146 PolarHBondContact O-N 2.87Å; D144-G146 PolarHBondContact OD2-N 3.43Å; G146-V148 VanDerWaalsContact C-N 3.27Å; G146-V148 PolarHBondContact O-N 3.18Å; G146-N149 PolarHBondContact O-N 3.09Å; G146-N149 VanDerWaalsContact O-N 3.13Å; G146-D150 PolarHBondContact O-N 2.86Å
147	T	86.7	Confident	88.3	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-59.1	-35.6	176	-58.3	0	0	0	0	112.5	S107 W143 D144 D150 M151	S107-T147 VanDerWaalsContact O-CG2 3.24Å; S107-T147 WeakPolarHBondContact O-CG2 3.49Å; S107-T147 PolarHBondContact O-OG1 3Å; W143-T147 HydrophobicContact CB-CG2 3.95Å; W143-T147 HydrophobicContact CG-CG2 3.95Å; D144-T147 VanDerWaalsContact CG-OG1 3.28Å; D144-T147 PolarHBondContact O-N 3.37Å; D144-T147 WeakPolarHBondContact OD1-CB 3.42Å; D144-T147 PolarHBondContact OD1-OG1 3.05Å; D144-T147 PolarHBondContact OD2-N 2.93Å; D144-T147 PolarHBondContact OD2-OG1 3.36Å; D144-T147 VanDerWaalsContact OD2-OG1 3.14Å; T147-D150 PolarHBondContact O-N 3.22Å; T147-M151 WeakPolarHBondContact O-CB 3.41Å; T147-M151 WeakPolarHBondContact O-CG 3.4Å; T147-M151 PolarHBondContact O-N 3.29Å
148	V	91	Very high	86.9	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.3	-41	175.4	173.8	0	0	0	0	111.8	R136 L139 L140 W143 D144 G146 M151 L152	R136-V148 HydrophobicContact CG-CG1 4.26Å; L139-V148 HydrophobicContact CB-CB 4.47Å; L139-V148 HydrophobicContact CB-CG1 3.8Å; L139-V148 HydrophobicContact CB-CG2 3.85Å; L139-V148 HydrophobicContact CD1-CG1 4.2Å; L140-V148 HydrophobicContact CD2-CB 4.32Å; L140-V148 HydrophobicContact CD2-CG2 4.04Å; L140-V148 HydrophobicContact CG-CG1 4.4Å; L140-V148 HydrophobicContact CG-CG2 4.28Å; W143-V148 HydrophobicContact CB-CG2 3.81Å; D144-V148 WeakPolarHBondContact O-CG2 3.34Å; D144-V148 PolarHBondContact O-N 3.26Å; G146-V148 VanDerWaalsContact C-N 3.27Å; G146-V148 PolarHBondContact O-N 3.18Å; V148-M151 PolarHBondContact O-N 3.33Å; V148-L152 HydrophobicContact CG1-CD1 3.93Å; V148-L152 VanDerWaalsContact O-CG 3.3Å; V148-L152 WeakPolarHBondContact O-CG 3.45Å; V148-L152 PolarHBondContact O-N 3.37Å
149	N	90.2	Very high	85.3	Confident	62 Å²	62	61 Å²	61	33%	0.332	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-43.3	173.9	-70.9	-30.3	0	0	0	111.3	R136 E145 G146 L152 N153	R136-N149 VanDerWaalsContact CZ-OD1 3.28Å; R136-N149 PolarHBondContact NH1-OD1 3.4Å; R136-N149 PolarHBondContact NH2-OD1 2.89Å; E145-N149 WeakPolarHBondContact O-CB 3.44Å; E145-N149 PolarHBondContact O-N 3.32Å; E145-N149 PolarHBondContact O-ND2 3.45Å; E145-N149 VanDerWaalsContact O-ND2 3.09Å; G146-N149 PolarHBondContact O-N 3.09Å; G146-N149 VanDerWaalsContact O-N 3.13Å; N149-L152 PolarHBondContact O-N 3.25Å; N149-N153 WeakPolarHBondContact O-CB 3.13Å; N149-N153 VanDerWaalsContact O-CG 3.29Å; N149-N153 PolarHBondContact O-N 2.99Å; N149-N153 PolarHBondContact O-ND2 3.45Å
150	D	87.4	Confident	83.5	Confident	64 Å²	64	66.7 Å²	66.7	34%	0.342	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-39.7	175.4	-93.9	-8.6	0	0	0	113	L109 G146 T147 R154	L109-D150 HydrophobicContact CB-CB 4.05Å; L109-D150 HydrophobicContact CD1-CB 4.15Å; G146-D150 PolarHBondContact O-N 2.86Å; T147-D150 PolarHBondContact O-N 3.22Å; D150-R154 WeakPolarHBondContact O-CB 3.37Å; D150-R154 PolarHBondContact O-N 2.65Å
151	M	90.2	Very high	81.6	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-60.8	-48.9	172.3	-80.4	-161.2	-174.1	0	0	111.7	L109 L117 F121 L139 W143 T147 V148 F155	L109-M151 HydrophobicContact CD1-CG 4.39Å; L117-M151 HydrophobicContact CB-CE 4.02Å; L117-M151 HydrophobicContact CD2-CE 3.46Å; L117-M151 VanDerWaalsContact CD2-CE 3.46Å; L117-M151 HydrophobicContact CG-CE 4.26Å; F121-M151 HydrophobicContact CB-SD 4.22Å; F121-M151 HydrophobicContact CD2-CB 4.02Å; F121-M151 HydrophobicContact CD2-SD 4.04Å; F121-M151 HydrophobicContact CE2-CB 4.39Å; L139-M151 HydrophobicContact CD2-SD 3.79Å; W143-M151 HydrophobicContact CD2-CE 3.43Å; W143-M151 VanDerWaalsContact CD2-CE 3.43Å; W143-M151 HydrophobicContact CD2-SD 4.44Å; W143-M151 VanDerWaalsContact CE2-CE 3.47Å; W143-M151 HydrophobicContact CE3-CE 3.61Å; W143-M151 HydrophobicContact CE3-SD 4.13Å; W143-M151 HydrophobicContact CG-CE 4.03Å; W143-M151 HydrophobicContact CH2-CE 3.98Å; W143-M151 HydrophobicContact CZ2-CE 3.77Å; W143-M151 HydrophobicContact CZ3-CE 3.88Å; W143-M151 HydrophobicContact CZ3-SD 4.38Å; T147-M151 WeakPolarHBondContact O-CB 3.41Å; T147-M151 WeakPolarHBondContact O-CG 3.4Å; T147-M151 PolarHBondContact O-N 3.29Å; V148-M151 PolarHBondContact O-N 3.33Å; M151-F155 HydrophobicContact CB-CD2 4.07Å; M151-F155 HydrophobicContact CB-CE2 4.44Å; M151-F155 HydrophobicContact CG-CD2 4.14Å; M151-F155 HydrophobicContact CG-CE2 4.07Å; M151-F155 WeakPolarHBondContact O-CA 3.47Å; M151-F155 WeakPolarHBondContact O-CB 3.42Å; M151-F155 WeakPolarHBondContact O-CD2 3.43Å; M151-F155 PolarHBondContact O-N 3.03Å
152	L	90.4	Very high	79.8	Confident	45 Å²	45	64.4 Å²	64.4	24%	0.236	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-45.3	-178.9	-72.1	165.7	0	0	0	110.6	F121 L135 R136 L139 V148 N149 G156	F121-L152 HydrophobicContact CE2-CD2 4.12Å; L135-L152 HydrophobicContact CD2-CD2 4.11Å; R136-L152 HydrophobicContact CG-CD1 4.38Å; L139-L152 HydrophobicContact CD1-CD2 4.12Å; L139-L152 HydrophobicContact CD1-CG 4.28Å; V148-L152 HydrophobicContact CG1-CD1 3.93Å; V148-L152 VanDerWaalsContact O-CG 3.3Å; V148-L152 WeakPolarHBondContact O-CG 3.45Å; V148-L152 PolarHBondContact O-N 3.37Å; N149-L152 PolarHBondContact O-N 3.25Å; L152-G156 WeakPolarHBondContact O-CA 3.27Å; L152-G156 PolarHBondContact O-N 3.3Å
153	N	87.5	Confident	77.9	Confident	122 Å²	122	63.2 Å²	63.2	65%	0.652	33%	0.325	S	S	*	.	H	α-helix	trans	-67	-43.1	178.3	-71.1	-17.7	0	0	0	113.4	N149	N149-N153 WeakPolarHBondContact O-CB 3.13Å; N149-N153 VanDerWaalsContact O-CG 3.29Å; N149-N153 PolarHBondContact O-N 2.99Å; N149-N153 PolarHBondContact O-ND2 3.45Å
154	R	85.3	Confident	75.4	Confident	97 Å²	97	67.7 Å²	67.7	37%	0.366	36%	0.357	S	S	.	.	H	α-helix	trans	-82.2	-23.8	-179	-71.4	-149.9	-167.6	-177.2	6.8	114.4	L109 D111 Q114 D150	L109-R154 HydrophobicContact CD2-CG 4.47Å; D111-R154 IonicContact OD1-CZ 2.72Å; D111-R154 IonicContact OD1-NH1 3.7Å; D111-R154 PolarHBondContact OD1-NH1 3.4Å; D111-R154 IonicContact OD1-NH2 3.55Å; Q114-R154 VanDerWaalsContact NE2-NH1 3.16Å; D150-R154 WeakPolarHBondContact O-CB 3.37Å; D150-R154 PolarHBondContact O-N 2.65Å
155	F	89.9	Confident	72.9	Confident	1 Å²	1	69.8 Å²	69.8	0%	0.004	38%	0.376	C	S	.	.	H	α-helix	trans	-119.4	-17.6	-170.7	-52.3	-43.1	0	0	0	115.6	L109 Q114 L117 Y118 F121 M151 R158 H159	L109-F155 HydrophobicContact CD1-CE2 3.93Å; L109-F155 HydrophobicContact CD1-CZ 4.03Å; Q114-F155 HydrophobicContact CG-CE1 3.72Å; Q114-F155 HydrophobicContact CG-CZ 3.72Å; L117-F155 HydrophobicContact CB-CE2 3.95Å; L117-F155 HydrophobicContact CB-CZ 4.21Å; Y118-F155 HydrophobicContact CD2-CB 4.06Å; Y118-F155 AromaticContact CD2-CD1 3.51Å; Y118-F155 HydrophobicContact CD2-CD1 3.51Å; Y118-F155 HydrophobicContact CD2-CD2 4.37Å; Y118-F155 AromaticContact CD2-CE1 3.97Å; Y118-F155 HydrophobicContact CD2-CE1 3.97Å; Y118-F155 AromaticContact CD2-CG 3.74Å; Y118-F155 HydrophobicContact CD2-CG 3.74Å; Y118-F155 HydrophobicContact CE2-CB 4.37Å; Y118-F155 HydrophobicContact CE2-CD1 4.28Å; Y118-F155 HydrophobicContact CE2-CG 4.49Å; Y118-F155 HydrophobicContact CG-CD1 4.25Å; Y118-F155 HydrophobicContact CG-CE1 4.25Å; F121-F155 HydrophobicContact CB-CD2 4.01Å; F121-F155 HydrophobicContact CD1-CB 3.71Å; F121-F155 HydrophobicContact CD1-CD2 4.46Å; F121-F155 HydrophobicContact CD1-CG 4.48Å; F121-F155 HydrophobicContact CD2-CB 4.4Å; F121-F155 HydrophobicContact CD2-CD2 4.28Å; F121-F155 HydrophobicContact CE1-CB 3.72Å; F121-F155 HydrophobicContact CE2-CB 4.4Å; F121-F155 HydrophobicContact CG-CB 4.06Å; F121-F155 HydrophobicContact CG-CD2 4.02Å; F121-F155 HydrophobicContact CG-CG 4.48Å; F121-F155 HydrophobicContact CZ-CB 4.07Å; M151-F155 HydrophobicContact CB-CD2 4.07Å; M151-F155 HydrophobicContact CB-CE2 4.44Å; M151-F155 HydrophobicContact CG-CD2 4.14Å; M151-F155 HydrophobicContact CG-CE2 4.07Å; M151-F155 WeakPolarHBondContact O-CA 3.47Å; M151-F155 WeakPolarHBondContact O-CB 3.42Å; M151-F155 WeakPolarHBondContact O-CD2 3.43Å; M151-F155 PolarHBondContact O-N 3.03Å; F155-R158 PolarHBondContact O-N 3Å; F155-H159 PolarHBondContact O-N 3.11Å
156	G	78.3	Confident	70.7	Confident	23 Å²	23	75.1 Å²	75.1	24%	0.237	39%	0.392	C	S	.	.	H	α-helix	trans	-55.5	-60	177.2	0	0	0	0	0	112.3	L152 R158 H159 E160	L152-G156 WeakPolarHBondContact O-CA 3.27Å; L152-G156 PolarHBondContact O-N 3.3Å; G156-R158 PolarHBondContact O-N 3.3Å; G156-R158 VanDerWaalsContact O-N 3.17Å; G156-H159 PolarHBondContact O-N 3.23Å; G156-E160 PolarHBondContact O-N 3.07Å
157	D	72	Confident	68.4	Low	122 Å²	122	77.8 Å²	77.8	65%	0.652	40%	0.404	S	S	*	.	H	α-helix	trans	-55.6	-34.2	178.5	-64	7.2	0	0	0	113.2	N161	D157-N161 PolarHBondContact O-N 2.89Å; D157-N161 PolarHBondContact O-ND2 3.16Å
158	R	63.8	Low	66.1	Low	132 Å²	132	86.1 Å²	86.1	50%	0.498	44%	0.443	S	S	.	.	H	α-helix	trans	-70.6	-37.3	177.2	-65.3	-171.3	-179.5	-165	0.3	111.7	Y118 F155 G156 S162	Y118-R158 HydrophobicContact CE2-CB 4.4Å; F155-R158 PolarHBondContact O-N 3Å; G156-R158 PolarHBondContact O-N 3.3Å; G156-R158 VanDerWaalsContact O-N 3.17Å; R158-S162 WeakPolarHBondContact O-CB 3.26Å; R158-S162 PolarHBondContact O-N 3.47Å
159	H	60	Low	63.3	Low	28 Å²	28	94.6 Å²	94.6	13%	0.13	48%	0.482	C	S	.	.	H	α-helix	trans	-73.7	-35.1	-178	-173.7	-88.1	0	0	0	112.4	F121 V125 F155 G156 S162 K163	F121-H159 HydrophobicContact CE1-CB 4.25Å; V125-H159 VanDerWaalsContact CG1-CE1 3.49Å; V125-H159 WeakPolarHBondContact CG1-CE1 3.36Å; F155-H159 PolarHBondContact O-N 3.11Å; G156-H159 PolarHBondContact O-N 3.23Å; H159-S162 PolarHBondContact O-N 3.14Å; H159-K163 PolarHBondContact O-N 2.74Å
160	E	54.7	Low	60.5	Low	121 Å²	121	99.3 Å²	99.3	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-60.9	-54.2	172.2	-69.9	-91.5	97.8	0	0	111.2	G156 S162 K163	G156-E160 PolarHBondContact O-N 3.07Å; E160-S162 PolarHBondContact O-N 3.06Å; E160-K163 WeakPolarHBondContact O-CB 3.39Å; E160-K163 PolarHBondContact O-N 2.83Å; E160-K163 IonicContact OE1-NZ 2.72Å; E160-K163 PolarHBondContact OE1-NZ 3.03Å
161	N	52.4	Low	58.1	Low	128 Å²	128	100.6 Å²	100.6	68%	0.684	52%	0.521	S	S	*	.	H	α-helix	trans	-61.4	-25.9	177.2	-75.3	-74.4	0	0	0	113	D157 K163	D157-N161 PolarHBondContact O-N 2.89Å; D157-N161 PolarHBondContact O-ND2 3.16Å; N161-K163 VanDerWaalsContact C-N 3.34Å; N161-K163 PolarHBondContact O-N 3.17Å
162	S	53.4	Low	55.4	Low	50 Å²	50	108 Å²	108	35%	0.35	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	-14.5	174.9	-173.2	0	0	0	0	114.7	R158 H159 E160	R158-S162 WeakPolarHBondContact O-CB 3.26Å; R158-S162 PolarHBondContact O-N 3.47Å; H159-S162 PolarHBondContact O-N 3.14Å; E160-S162 PolarHBondContact O-N 3.06Å
163	K	48.1	Very low	52.8	Low	116 Å²	116	112.4 Å²	112.4	50%	0.504	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.5	-42.8	178.5	-70.9	171.9	-175.2	161.2	0	112	H159 E160 N161 S165 R166	H159-K163 PolarHBondContact O-N 2.74Å; E160-K163 WeakPolarHBondContact O-CB 3.39Å; E160-K163 PolarHBondContact O-N 2.83Å; E160-K163 IonicContact OE1-NZ 2.72Å; E160-K163 PolarHBondContact OE1-NZ 3.03Å; N161-K163 VanDerWaalsContact C-N 3.34Å; N161-K163 PolarHBondContact O-N 3.17Å; K163-S165 PolarHBondContact O-N 3.03Å; K163-S165 VanDerWaalsContact O-N 3.16Å; K163-R166 PolarHBondContact O-N 3.21Å
164	C	36.6	Very low	50.2	Low	110 Å²	110	112.4 Å²	112.4	74%	0.743	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-18	-167.1	-161	0	0	0	0	114.4
165	S	35.7	Very low	47.9	Very low	94 Å²	94	113.8 Å²	113.8	66%	0.657	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	0.5	179	48.9	0	0	0	0	114.4	K163	K163-S165 PolarHBondContact O-N 3.03Å; K163-S165 VanDerWaalsContact O-N 3.16Å
166	R	42.9	Very low	45.4	Very low	219 Å²	219	122.3 Å²	122.3	83%	0.826	65%	0.654	S	S	*	*	S	Bend	trans	-109.6	0.1	-169.4	-157.2	165.5	177.9	177.9	-4.8	115.4	K163	K163-R166 PolarHBondContact O-N 3.21Å
167	S	39.5	Very low	44	Very low	98 Å²	98	129.7 Å²	129.7	69%	0.685	68%	0.68	S	S	*	*	S	Bend	trans	-106.9	-0.3	-173.4	52.8	0	0	0	0	116
168	Q	38.5	Very low	42.6	Very low	177 Å²	177	128.2 Å²	128.2	83%	0.827	68%	0.677	S	S	*	*	S	Bend	trans	-114.5	-1.1	-175.1	-80.5	-171.8	-28.8	0	0	116.3
169	H	33	Very low	41.7	Very low	177 Å²	177	133.9 Å²	133.9	82%	0.819	70%	0.698	S	S	*	*			trans	-105.6	80.9	172.2	-78.2	-63.8	0	0	0	111.2
170	N	31.5	Very low	41.6	Very low	162 Å²	162	141.9 Å²	141.9	87%	0.866	73%	0.727	S	S	*	*			trans	-124.7	52.6	169.3	-160	25.9	0	0	0	111.8
171	S	36	Very low	41	Very low	91 Å²	91	146.2 Å²	146.2	64%	0.636	74%	0.739	S	S	*	*	S	Bend	trans	-157.1	155.9	162.2	56.8	0	0	0	0	108.4
172	N	34.1	Very low	40.3	Very low	154 Å²	154	149.6 Å²	149.6	82%	0.824	75%	0.747	S	S	*	*			trans	69.6	74.7	-177.9	-52.2	-14.8	0	0	0	115.8
173	T	36.3	Very low	39.8	Very low	139 Å²	139	152.3 Å²	152.3	85%	0.853	77%	0.766	S	S	*	*			trans	-52.3	153.5	134	44.3	0	0	0	0	110
174	C	31.9	Very low	39.5	Very low	121 Å²	121	156 Å²	156	82%	0.818	79%	0.785	S	S	*	*			cis	-150.7	126.8	8.9	46	0	0	0	0	111.4
175	D	38.2	Very low	39.7	Very low	127 Å²	127	157.1 Å²	157.1	68%	0.679	79%	0.789	S	S	*	*			trans	-152	47.8	164.2	-159.4	-3	0	0	0	111.6	K177	D175-K177 PolarHBondContact O-N 3.42Å
176	M	37.7	Very low	39.9	Very low	179 Å²	179	159.5 Å²	159.5	88%	0.882	80%	0.799	S	S	*	*			trans	-87.8	95.2	177.2	-74.8	-63.6	107.3	0	0	110.9
177	K	47	Very low	39.6	Very low	178 Å²	178	152.6 Å²	152.6	77%	0.774	80%	0.796	S	S	*	*			trans	-63	129.8	172.7	-74.3	171.5	-177.8	160.4	0	110.7	D175	D175-K177 PolarHBondContact O-N 3.42Å
178	P	42.8	Very low	39.7	Very low	91 Å²	91	153.6 Å²	153.6	59%	0.591	80%	0.801	S	S	*	*			trans	-66.5	146.1	-174.4	25.8	-34.7	0	0	0	112.7	W180	P178-W180 PolarHBondContact O-N 3.35Å
179	R	44.8	Very low	39.7	Very low	252 Å²	252	151.3 Å²	151.3	95%	0.951	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	2.8	-158.6	-171.8	169.2	166.3	-174.5	-6.5	116.3
180	W	58.3	Low	39.9	Very low	195 Å²	195	148.7 Å²	148.7	74%	0.739	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-11.7	-167.8	56.2	-98.4	0	0	0	115.9	P178 K182	P178-W180 PolarHBondContact O-N 3.35Å; W180-K182 PolarHBondContact O-N 3.44Å; W180-K182 VanDerWaalsContact O-N 3.14Å
181	R	41.7	Very low	40.1	Very low	212 Å²	212	146.1 Å²	146.1	80%	0.8	78%	0.782	S	S	*	*			trans	-77.7	98.3	175.7	-81.6	-172.7	171	-113	-0.3	112.4	S183	R181-S183 PolarHBondContact O-N 2.84Å
182	K	39.6	Very low	40.3	Very low	200 Å²	200	149 Å²	149	87%	0.87	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-62.2	123.1	162.8	-79.6	178.8	174.7	174.1	0	110.5	W180	W180-K182 PolarHBondContact O-N 3.44Å; W180-K182 VanDerWaalsContact O-N 3.14Å
183	S	42.3	Very low	40.5	Very low	107 Å²	107	149.4 Å²	149.4	75%	0.748	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-77.8	121.2	159.1	50.9	0	0	0	0	109.3	R181	R181-S183 PolarHBondContact O-N 2.84Å
184	Q	41.2	Very low	40.5	Very low	193 Å²	193	146.2 Å²	146.2	90%	0.902	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-76.6	132.2	169.8	-73.2	177.5	-31.3	0	0	109.9
185	T	39.9	Very low	40.7	Very low	133 Å²	133	150.3 Å²	150.3	82%	0.816	78%	0.783	S	S	*	*			trans	-128.5	119.3	167	39.5	0	0	0	0	108.1
186	T	41	Very low	40.7	Very low	144 Å²	144	149 Å²	149	88%	0.883	78%	0.784	S	S	*	*			trans	-92.5	147.3	174.8	44.2	0	0	0	0	110.8
187	G	37	Very low	40.6	Very low	74 Å²	74	145.5 Å²	145.5	76%	0.763	78%	0.777	S	S	*	*			trans	-80.9	-177.7	-169.2	0	0	0	0	0	116.7
188	P	40.8	Very low	40.2	Very low	119 Å²	119	142.3 Å²	142.3	77%	0.773	78%	0.778	S	S	*	*			trans	-122.9	-145.7	-157.3	44.7	-31	0	0	0	113.9
189	T	38.3	Very low	39.8	Very low	130 Å²	130	145.2 Å²	145.2	80%	0.798	78%	0.783	S	S	*	*			trans	92.5	134.2	-176.5	70.8	0	0	0	0	114.2
190	T	36.7	Very low	39.4	Very low	121 Å²	121	139.7 Å²	139.7	74%	0.742	77%	0.772	S	S	*	*			cis	-117	-157.8	-1.4	55.9	0	0	0	0	110.6
191	D	37.7	Very low	38.4	Very low	109 Å²	109	139.4 Å²	139.4	58%	0.583	78%	0.778	S	S	*	*			cis	-159.2	171.9	3.5	-136.2	-29.5	0	0	0	115.6
192	K	38.9	Very low	37.9	Very low	151 Å²	151	134.6 Å²	134.6	66%	0.657	78%	0.777	S	S	*	*			trans	9	119.5	160.3	-72.2	143.4	-157.8	137.9	0	124.2
193	N	38.4	Very low	37.8	Very low	163 Å²	163	134.5 Å²	134.5	87%	0.872	78%	0.777	S	S	*	*				80.8	128.3	119.7	-65.2	-12.3	0	0	0	124.5
194	G	36.2	Very low	37.3	Very low	71 Å²	71	140.7 Å²	140.7	73%	0.732	78%	0.784	S	S	*	*			trans	127.7	97.3	156.1	0	0	0	0	0	114.3
195	K	36.8	Very low	37.1	Very low	207 Å²	207	137.7 Å²	137.7	90%	0.9	78%	0.778	S	S	*	*				60.4	123	74.4	-70.8	-171.4	176.5	-178.4	0	114.2
196	S	37	Very low	36.9	Very low	100 Å²	100	141.7 Å²	141.7	70%	0.699	78%	0.78	S	S	*	*			cis	-159.8	154.9	0.5	-64.5	0	0	0	0	114.1
197	S	35.9	Very low	36.6	Very low	105 Å²	105	138.9 Å²	138.9	73%	0.734	77%	0.766	S	S	*	*			trans	22.5	123.7	143.2	66.5	0	0	0	0	121.3
198	S	38.3	Very low	36.7	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	76%	0.763	S	S	*	*				137.9	171	89.5	63.5	0	0	0	0	109.1
199	H	34.6	Very low	36.3	Very low	152 Å²	152	143.8 Å²	143.8	70%	0.704	77%	0.768	S	S	*	*			cis	-142.8	171	-2.5	-169.6	-95.2	0	0	0	110.5
200	L	36.2	Very low	36	Very low	135 Å²	135	145.3 Å²	145.3	71%	0.707	77%	0.772	S	S	*	*			trans	-77.1	160.3	179	-52	74.5	0	0	0	113.6
201	Q	37.6	Very low	35.6	Very low	189 Å²	189	146.6 Å²	146.6	88%	0.883	78%	0.779	S	S	*	*				-171.2	171	106.4	-99.5	178.6	17	0	0	114.2
202	S	32.4	Very low	35.3	Very low	111 Å²	111	150.1 Å²	150.1	78%	0.776	79%	0.792	S	S	*	*			trans	-157.7	150.7	-164.9	175.2	0	0	0	0	113.9
203	K	37.4	Very low	34.9	Very low	199 Å²	199	148.3 Å²	148.3	87%	0.865	80%	0.799	S	S	*	*			trans	-163.4	126	165	-95.5	158.7	-176.8	178.4	0	105.8
204	R	31.9	Very low	34.6	Very low	236 Å²	236	148.1 Å²	148.1	89%	0.891	80%	0.797	S	S	*	*				55.5	131	61.1	-65.4	-168.6	177.6	-172.8	0.6	111.5
205	V	37.2	Very low	34.4	Very low	130 Å²	130	150.6 Å²	150.6	79%	0.788	80%	0.803	S	S	*	*			cis	-146.8	137.5	39.3	174.7	0	0	0	0	108.7
206	Y	35.7	Very low	34.1	Very low	218 Å²	218	149.7 Å²	149.7	86%	0.855	80%	0.8	S	S	*	*				51	140.3	94.7	-119.7	-131.8	0	0	0	114.8
207	S	34.5	Very low	34	Very low	84 Å²	84	153.9 Å²	153.9	59%	0.587	81%	0.808	S	S	*	*			cis	-159.1	-174.7	3.4	-125.9	0	0	0	0	111.8
208	P	37.5	Very low	33.8	Very low	108 Å²	108	158.6 Å²	158.6	70%	0.701	82%	0.815	S	S	*	*			trans	-119.5	172.1	-147.4	45.1	-38.9	0	0	0	117.8
209	E	34	Very low	33.3	Very low	188 Å²	188	159.9 Å²	159.9	88%	0.879	81%	0.809	S	S	*	*			trans	-149	-177.3	141.4	-114.8	159.5	-145.2	0	0	109
210	D	31	Very low	33.1	Very low	163 Å²	163	158.1 Å²	158.1	87%	0.872	80%	0.804	S	S	*	*			trans	70.1	78.9	-170.7	-68.5	-18.4	0	0	0	117.6	E212	D210-E212 PolarHBondContact O-N 3Å
211	T	29.3	Very low	32.7	Very low	147 Å²	147	155.7 Å²	155.7	90%	0.902	80%	0.795	S	S	*	*			trans	-89.3	73.1	167.6	53.8	0	0	0	0	113.1
212	E	31	Very low	32.5	Very low	183 Å²	183	150.8 Å²	150.8	86%	0.855	77%	0.773	S	S	*	*			trans	-146.9	133.4	160.9	-126.3	175.7	-139.7	0	0	113.4	D210	D210-E212 PolarHBondContact O-N 3Å
213	S	30.9	Very low	32.5	Very low	114 Å²	114	152.8 Å²	152.8	80%	0.797	77%	0.77	S	S	*	*			trans	61.4	105.5	-179.4	77.8	0	0	0	0	117.8
214	L	30.7	Very low	32.4	Very low	158 Å²	158	148 Å²	148	83%	0.827	76%	0.761	S	S	*	*			trans	-162.8	50.4	159.9	-117.1	168.6	0	0	0	116.1	K216	L214-K216 HydrophobicContact CD2-CB 4.33Å; L214-K216 PolarHBondContact O-N 3.31Å
215	S	31.6	Very low	32.3	Very low	124 Å²	124	144.9 Å²	144.9	87%	0.867	76%	0.757	S	S	*	*			trans	-87.8	27.2	168.7	54	0	0	0	0	113.9	Q217	S215-Q217 VanDerWaalsContact C-N 3.3Å; S215-Q217 PolarHBondContact O-N 3.02Å
216	K	31	Very low	32.2	Very low	188 Å²	188	146 Å²	146	82%	0.817	76%	0.759	S	S	*	*			trans	-78.6	70.8	177.4	-70.8	-180	177.5	171.5	0	111.7	L214 K218	L214-K216 HydrophobicContact CD2-CB 4.33Å; L214-K216 PolarHBondContact O-N 3.31Å; K216-K218 PolarHBondContact O-N 3.39Å
217	Q	35.3	Very low	31.9	Very low	187 Å²	187	140.8 Å²	140.8	87%	0.874	75%	0.754	S	S	*	*			trans	-63.8	132.5	161.6	-74.2	-166.7	-12.6	0	0	109.2	S215 E219	S215-Q217 VanDerWaalsContact C-N 3.3Å; S215-Q217 PolarHBondContact O-N 3.02Å; Q217-E219 PolarHBondContact O-N 3.24Å
218	K	31.2	Very low	31.7	Very low	204 Å²	204	143.1 Å²	143.1	89%	0.887	77%	0.765	S	S	*	*			trans	-80.7	87.5	-162.2	-150.7	170.9	-170.1	174.2	0	110.9	K216 L220	K216-K218 PolarHBondContact O-N 3.39Å; K218-L220 PolarHBondContact O-N 3.39Å
219	E	28	Very low	31.5	Very low	140 Å²	140	145.7 Å²	145.7	65%	0.654	77%	0.773	S	S	*	*			trans	-59.3	131.2	178.7	-169.9	171.5	-173.9	0	0	111.1	Q217	Q217-E219 PolarHBondContact O-N 3.24Å
220	L	30.2	Very low	31.5	Very low	115 Å²	115	144.1 Å²	144.1	60%	0.602	77%	0.771	S	S	*	*			trans	-103.8	80.5	175.9	-76.9	167.1	0	0	0	109.1	K218 M222 K273	K218-L220 PolarHBondContact O-N 3.39Å; L220-M222 PolarHBondContact O-N 3.46Å; L220-K273 HydrophobicContact CD1-CD 4.37Å
221	T	28.4	Very low	31.9	Very low	83 Å²	83	140.2 Å²	140.2	51%	0.509	76%	0.755	S	S	.	*			trans	-62.6	121	170.6	28.7	0	0	0	0	110.5	E223	T221-E223 PolarHBondContact O-N 3.5Å
222	M	32.9	Very low	32.7	Very low	86 Å²	86	141 Å²	141	42%	0.424	75%	0.749	S	S	.	*			trans	-83.4	104.6	157.9	-80.5	-162.7	68.3	0	0	108.4	L220	L220-M222 PolarHBondContact O-N 3.46Å
223	E	32.1	Very low	33.6	Very low	154 Å²	154	134.4 Å²	134.4	72%	0.72	73%	0.729	S	S	*	*			trans	-72.4	132.7	157.3	-72.1	152.6	173.5	0	0	108.1	T221	T221-E223 PolarHBondContact O-N 3.5Å
224	S	35.5	Very low	34.8	Very low	97 Å²	97	132.1 Å²	132.1	68%	0.678	71%	0.711	S	S	*	*			trans	-140.8	80.9	172.7	-70.1	0	0	0	0	107.3	N226	S224-N226 PolarHBondContact O-N 3Å
225	E	30.4	Very low	36.7	Very low	171 Å²	171	129 Å²	129	80%	0.799	69%	0.691	S	S	*	*			trans	-60.4	102.8	167.1	-60.7	169.3	135.1	0	0	108.4
226	N	34.4	Very low	38.7	Very low	154 Å²	154	127.2 Å²	127.2	82%	0.824	67%	0.668	S	S	*	*			trans	-167.3	134.8	133.2	-98.6	-22.6	0	0	0	110.5	S224 T228	S224-N226 PolarHBondContact O-N 3Å; N226-T228 PolarHBondContact O-N 2.99Å
227	S	29.2	Very low	41.1	Very low	108 Å²	108	123.8 Å²	123.8	76%	0.755	66%	0.656	S	S	*	*			trans	-58	119.7	-173.2	49.3	0	0	0	0	114.4
228	T	32.2	Very low	43.3	Very low	134 Å²	134	117.7 Å²	117.7	82%	0.822	63%	0.625	S	S	*	*			trans	-161.7	126.8	137.8	12.1	0	0	0	0	108.4	N226 D230	N226-T228 PolarHBondContact O-N 2.99Å; T228-D230 PolarHBondContact O-N 3.31Å
229	N	31.6	Very low	45.8	Very low	162 Å²	162	112.5 Å²	112.5	87%	0.866	61%	0.606	S	S	*	*	S	Bend	trans	-85.6	87.4	-175.6	-68.3	-13.9	0	0	0	110.7
230	D	34.7	Very low	48.5	Very low	155 Å²	155	106.4 Å²	106.4	83%	0.829	58%	0.578	S	S	*	*			trans	175.2	100.2	140.7	-99.1	-23.2	0	0	0	111.1	T228	T228-D230 PolarHBondContact O-N 3.31Å
231	C	39.1	Very low	51.3	Low	81 Å²	81	103.6 Å²	103.6	55%	0.547	57%	0.566	S	S	.	*			trans	-158.9	102	172.9	-97.3	0	0	0	0	111.1	G233 V289	C231-G233 PolarHBondContact O-N 2.64Å; C231-G233 VanDerWaalsContact O-N 3.16Å; C231-V289 HydrophobicContact CB-CG1 4.29Å
232	Q	47.3	Very low	54.2	Low	164 Å²	164	104.5 Å²	104.5	77%	0.766	57%	0.568	S	S	*	*			trans	-73.8	104.6	170	-68	-171.2	2	0	0	110.3	T234	Q232-T234 PolarHBondContact O-N 2.9Å
233	G	49.1	Very low	56.9	Low	44 Å²	44	106 Å²	106	45%	0.454	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.9	107.4	177.4	0	0	0	0	0	112.1	C231	C231-G233 PolarHBondContact O-N 2.64Å; C231-G233 VanDerWaalsContact O-N 3.16Å
234	T	56.3	Low	59.6	Low	66 Å²	66	99.7 Å²	99.7	41%	0.405	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	155.4	172.2	54	0	0	0	0	111.4	Q232 T288	Q232-T234 PolarHBondContact O-N 2.9Å; T234-T288 PolarHBondContact O-N 3.33Å; T234-T288 PolarHBondContact OG1-O 2.86Å
235	F	70.5	Confident	62.2	Low	93 Å²	93	96.1 Å²	96.1	41%	0.408	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.5	172.7	-67.3	-103.3	0	0	0	109.4	R285 I286 R287	F235-R285 HydrophobicContact CB-CG 4.17Å; F235-R285 HydrophobicContact CD1-CG 3.99Å; F235-I286 WeakPolarHBondContact CA-O 3.08Å; F235-R287 HydrophobicContact CD1-CG 3.61Å; F235-R287 HydrophobicContact CE1-CG 3.48Å; F235-R287 VanDerWaalsContact CE1-CG 3.48Å; F235-R287 VanDerWaalsContact CE1-NE 3.33Å; F235-R287 HydrophobicContact CG-CG 4.27Å; F235-R287 HydrophobicContact CZ-CG 4Å
236	E	73.7	Confident	65.2	Low	85 Å²	85	92.8 Å²	92.8	40%	0.397	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.1	178.4	-170.2	-177.6	-164.6	0	0	110.4	R238 R285 I286	E236-R238 VanDerWaalsContact CD-CD 3.4Å; E236-R238 HydrophobicContact CG-CB 4.35Å; E236-R238 HydrophobicContact CG-CG 4Å; E236-R238 WeakPolarHBondContact OE1-CD 3.35Å; E236-R238 IonicContact OE1-NE 2.91Å; E236-R238 WeakPolarHBondContact OE2-CD 3.48Å; E236-R238 IonicContact OE2-CZ 2.62Å; E236-R238 IonicContact OE2-NE 2.97Å; E236-R238 PolarHBondContact OE2-NE 3.17Å; E236-R285 CarbonylContact O-C 3.51Å; E236-R285 WeakPolarHBondContact O-CA 3.24Å; E236-I286 PolarHBondContact N-O 2.71Å; E236-I286 PolarHBondContact O-N 2.95Å
237	E	80.3	Confident	68	Low	117 Å²	117	88.2 Å²	88.2	55%	0.547	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	87.5	176.9	-71.8	-173.3	-176.2	0	0	111.2	R285	E237-R285 HydrophobicContact CG-CB 3.83Å; E237-R285 HydrophobicContact CG-CG 3.71Å; E237-R285 WeakPolarHBondContact OE1-CD 3.4Å; E237-R285 IonicContact OE1-CZ 3.97Å; E237-R285 IonicContact OE1-NE 2.72Å; E237-R285 IonicContact OE1-NH1 2.62Å; E237-R285 PolarHBondContact OE1-NH1 3.19Å
238	R	83	Confident	70.9	Confident	59 Å²	59	84 Å²	84	22%	0.223	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	174.3	-177.7	62.4	168.5	172.7	80.1	0.8	112.4	E236 D244 K283 V284 I286	E236-R238 VanDerWaalsContact CD-CD 3.4Å; E236-R238 HydrophobicContact CG-CB 4.35Å; E236-R238 HydrophobicContact CG-CG 4Å; E236-R238 WeakPolarHBondContact OE1-CD 3.35Å; E236-R238 IonicContact OE1-NE 2.91Å; E236-R238 WeakPolarHBondContact OE2-CD 3.48Å; E236-R238 IonicContact OE2-CZ 2.62Å; E236-R238 IonicContact OE2-NE 2.97Å; E236-R238 PolarHBondContact OE2-NE 3.17Å; R238-D244 IonicContact CZ-OD1 2.99Å; R238-D244 IonicContact CZ-OD2 2.75Å; R238-D244 IonicContact NH1-OD1 3.96Å; R238-D244 PolarHBondContact NH1-OD1 2.94Å; R238-D244 IonicContact NH1-OD2 2.69Å; R238-D244 PolarHBondContact NH1-OD2 2.8Å; R238-D244 IonicContact NH2-OD1 3.9Å; R238-D244 PolarHBondContact NH2-OD1 3.39Å; R238-D244 IonicContact NH2-OD2 3.22Å; R238-K283 CarbonylContact O-C 3.6Å; R238-K283 WeakPolarHBondContact O-CA 3.12Å; R238-V284 PolarHBondContact N-O 3.37Å; R238-V284 PolarHBondContact O-N 2.93Å; R238-I286 HydrophobicContact CG-CD1 4.47Å
239	L	83	Confident	73.7	Confident	94 Å²	94	79.2 Å²	79.2	49%	0.492	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	146.6	169.4	-63.7	173.5	0	0	0	109.6	G281 K283	L239-G281 VanDerWaalsContact CD2-O 3.26Å; L239-G281 WeakPolarHBondContact CD2-O 3.11Å; L239-K283 HydrophobicContact CD2-CG 3.88Å; L239-K283 HydrophobicContact CG-CG 4.33Å
240	V	84.8	Confident	76.6	Confident	13 Å²	13	73.6 Å²	73.6	8%	0.079	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-66.2	130.3	172.8	171.1	0	0	0	0	109.4	D244 I245 F274 A277 M278 V284	V240-D244 HydrophobicContact CG1-CB 4.3Å; V240-I245 HydrophobicContact CG1-CD1 3.87Å; V240-I245 HydrophobicContact CG1-CG1 3.68Å; V240-F274 HydrophobicContact CB-CD1 4.34Å; V240-F274 HydrophobicContact CG1-CB 4.22Å; V240-F274 HydrophobicContact CG1-CD1 3.75Å; V240-F274 HydrophobicContact CG1-CG 4.42Å; V240-F274 HydrophobicContact CG2-CD1 3.64Å; V240-F274 HydrophobicContact CG2-CE1 4.08Å; V240-F274 HydrophobicContact CG2-CG 4.21Å; V240-A277 HydrophobicContact CG2-CB 4.13Å; V240-M278 HydrophobicContact CB-CB 4.44Å; V240-M278 HydrophobicContact CG1-CB 4.33Å; V240-V284 HydrophobicContact CG2-CB 4.14Å; V240-V284 HydrophobicContact CG2-CG2 3.75Å
241	T	88.2	Confident	79.4	Confident	56 Å²	56	70.3 Å²	70.3	34%	0.344	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-101	165.1	171.9	65.8	0	0	0	0	111.2	D243 D244 I245	T241-D243 PolarHBondContact O-N 3.39Å; T241-D243 PolarHBondContact OG1-N 3.43Å; T241-D244 PolarHBondContact N-OD2 3.49Å; T241-D244 PolarHBondContact O-N 2.82Å; T241-D244 VanDerWaalsContact O-N 3.15Å; T241-D244 PolarHBondContact OG1-N 3.34Å; T241-D244 PolarHBondContact OG1-OD2 3.3Å; T241-I245 PolarHBondContact O-N 2.97Å
242	N	90.3	Very high	82	Confident	101 Å²	101	66.9 Å²	66.9	54%	0.54	36%	0.363	S	S	.	.	H	α-helix	trans	-55.6	-35	171.8	-69.7	-23.6	0	0	0	111.8	D244 I245 N246 M278	N242-D244 PolarHBondContact O-N 3.05Å; N242-I245 PolarHBondContact O-N 2.78Å; N242-N246 WeakPolarHBondContact O-CB 3.48Å; N242-N246 PolarHBondContact O-N 3.28Å; N242-N246 PolarHBondContact O-ND2 3.27Å; N242-M278 VanDerWaalsContact OD1-CE 3.24Å; N242-M278 WeakPolarHBondContact OD1-CE 3.41Å
243	D	89.6	Confident	84.1	Confident	119 Å²	119	64.6 Å²	64.6	64%	0.636	35%	0.354	S	S	*	.	H	α-helix	trans	-66.1	-35.3	179.3	-54.3	-43.6	0	0	0	112.7	T241 S247	T241-D243 PolarHBondContact O-N 3.39Å; T241-D243 PolarHBondContact OG1-N 3.43Å; D243-S247 WeakPolarHBondContact O-CB 3.48Å; D243-S247 PolarHBondContact O-N 2.68Å
244	D	88.9	Confident	86.1	Confident	20 Å²	20	70.6 Å²	70.6	11%	0.107	36%	0.363	C	S	.	.	H	α-helix	trans	-66.1	-43.5	174.2	-57	-47.7	0	0	0	110.9	R238 V240 T241 N242 S247 I248 F274	R238-D244 IonicContact CZ-OD1 2.99Å; R238-D244 IonicContact CZ-OD2 2.75Å; R238-D244 IonicContact NH1-OD1 3.96Å; R238-D244 PolarHBondContact NH1-OD1 2.94Å; R238-D244 IonicContact NH1-OD2 2.69Å; R238-D244 PolarHBondContact NH1-OD2 2.8Å; R238-D244 IonicContact NH2-OD1 3.9Å; R238-D244 PolarHBondContact NH2-OD1 3.39Å; R238-D244 IonicContact NH2-OD2 3.22Å; V240-D244 HydrophobicContact CG1-CB 4.3Å; T241-D244 PolarHBondContact N-OD2 3.49Å; T241-D244 PolarHBondContact O-N 2.82Å; T241-D244 VanDerWaalsContact O-N 3.15Å; T241-D244 PolarHBondContact OG1-N 3.34Å; T241-D244 PolarHBondContact OG1-OD2 3.3Å; N242-D244 PolarHBondContact O-N 3.05Å; D244-S247 PolarHBondContact O-N 2.74Å; D244-I248 WeakPolarHBondContact O-CG1 3.33Å; D244-I248 PolarHBondContact O-N 3.08Å; D244-F274 HydrophobicContact CB-CD1 3.98Å; D244-F274 HydrophobicContact CB-CE1 3.99Å
245	I	90.5	Very high	87.8	Confident	22 Å²	22	67.6 Å²	67.6	11%	0.113	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-46.1	178.4	-64.1	172.5	0	0	0	109.9	V240 T241 N242 S247 I248 A249 L271 F274 M278	V240-I245 HydrophobicContact CG1-CD1 3.87Å; V240-I245 HydrophobicContact CG1-CG1 3.68Å; T241-I245 PolarHBondContact O-N 2.97Å; N242-I245 PolarHBondContact O-N 2.78Å; I245-S247 VanDerWaalsContact C-N 3.34Å; I245-S247 PolarHBondContact O-N 3.46Å; I245-I248 PolarHBondContact O-N 3.36Å; I245-A249 WeakPolarHBondContact O-CB 3.07Å; I245-A249 PolarHBondContact O-N 3.46Å; I245-L271 HydrophobicContact CG2-CD2 4.25Å; I245-F274 HydrophobicContact CG1-CB 4.28Å; I245-M278 HydrophobicContact CD1-CB 4.27Å; I245-M278 HydrophobicContact CD1-CG 4.47Å; I245-M278 HydrophobicContact CD1-SD 3.5Å; I245-M278 VanDerWaalsContact CD1-SD 3.5Å
246	N	93.2	Very high	88.8	Confident	101 Å²	101	66.9 Å²	66.9	54%	0.54	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-39.4	175.9	-69.1	-19.8	0	0	0	111.7	N242 A249 A250	N242-N246 WeakPolarHBondContact O-CB 3.48Å; N242-N246 PolarHBondContact O-N 3.28Å; N242-N246 PolarHBondContact O-ND2 3.27Å; N246-A249 PolarHBondContact O-N 3.35Å; N246-A250 VanDerWaalsContact O-CB 3.29Å; N246-A250 WeakPolarHBondContact O-CB 3.44Å; N246-A250 PolarHBondContact O-N 2.8Å
247	S	92.3	Very high	89.7	Confident	59 Å²	59	69.9 Å²	69.9	41%	0.413	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-39	176	-176.2	0	0	0	0	112.6	D243 D244 I245 K251	D243-S247 WeakPolarHBondContact O-CB 3.48Å; D243-S247 PolarHBondContact O-N 2.68Å; D244-S247 PolarHBondContact O-N 2.74Å; I245-S247 VanDerWaalsContact C-N 3.34Å; I245-S247 PolarHBondContact O-N 3.46Å; S247-K251 VanDerWaalsContact O-CG 3.3Å; S247-K251 WeakPolarHBondContact O-CG 3.28Å; S247-K251 PolarHBondContact O-N 3.47Å
248	I	90	Very high	90.2	Very high	19 Å²	19	70.1 Å²	70.1	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-74.5	-40.6	175.3	-65.2	169.6	0	0	0	111.1	D244 I245 A250 K251 V252 L271 F274	D244-I248 WeakPolarHBondContact O-CG1 3.33Å; D244-I248 PolarHBondContact O-N 3.08Å; I245-I248 PolarHBondContact O-N 3.36Å; I248-A250 VanDerWaalsContact C-N 3.35Å; I248-A250 PolarHBondContact O-N 3.18Å; I248-K251 WeakPolarHBondContact O-CB 3.27Å; I248-K251 PolarHBondContact O-N 2.93Å; I248-K251 VanDerWaalsContact O-N 3.09Å; I248-V252 PolarHBondContact O-N 3.34Å; I248-L271 HydrophobicContact CG2-CB 3.79Å; I248-L271 HydrophobicContact CG2-CG 4.03Å; I248-F274 HydrophobicContact CD1-CB 4.33Å; I248-F274 HydrophobicContact CD1-CD1 3.59Å; I248-F274 HydrophobicContact CD1-CD2 3.58Å; I248-F274 HydrophobicContact CD1-CE1 3.67Å; I248-F274 HydrophobicContact CD1-CE2 3.65Å; I248-F274 HydrophobicContact CD1-CG 3.55Å; I248-F274 HydrophobicContact CD1-CZ 3.7Å
249	A	92.3	Very high	90.4	Very high	33 Å²	33	72.1 Å²	72.1	27%	0.273	39%	0.385	S	S	.	.	H	α-helix	trans	-59.5	-44.4	174.3	0	0	0	0	0	111.7	I245 N246 K251 V252 M253 L271	I245-A249 WeakPolarHBondContact O-CB 3.07Å; I245-A249 PolarHBondContact O-N 3.46Å; N246-A249 PolarHBondContact O-N 3.35Å; A249-K251 VanDerWaalsContact C-N 3.26Å; A249-K251 PolarHBondContact O-N 2.97Å; A249-V252 WeakPolarHBondContact O-CB 3.44Å; A249-V252 PolarHBondContact O-N 3.17Å; A249-V252 VanDerWaalsContact O-N 3.12Å; A249-M253 WeakPolarHBondContact O-CG 3.33Å; A249-M253 PolarHBondContact O-N 3.05Å; A249-L271 HydrophobicContact CB-CD1 4.01Å
250	A	92.5	Very high	90.6	Very high	45 Å²	45	70.4 Å²	70.4	37%	0.372	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-29.9	174.4	0	0	0	0	0	113.1	N246 I248 R254	N246-A250 VanDerWaalsContact O-CB 3.29Å; N246-A250 WeakPolarHBondContact O-CB 3.44Å; N246-A250 PolarHBondContact O-N 2.8Å; I248-A250 VanDerWaalsContact C-N 3.35Å; I248-A250 PolarHBondContact O-N 3.18Å; A250-R254 VanDerWaalsContact O-CG 3.29Å; A250-R254 WeakPolarHBondContact O-CG 3.44Å; A250-R254 PolarHBondContact O-N 3.25Å
251	K	92.7	Very high	90.9	Very high	85 Å²	85	73.8 Å²	73.8	37%	0.37	40%	0.399	S	S	.	.	H	α-helix	trans	-73.1	-36.8	171.8	-71.1	168.4	-171.8	176.4	0	112.4	S247 I248 A249 R254 A255 L267	S247-K251 VanDerWaalsContact O-CG 3.3Å; S247-K251 WeakPolarHBondContact O-CG 3.28Å; S247-K251 PolarHBondContact O-N 3.47Å; I248-K251 WeakPolarHBondContact O-CB 3.27Å; I248-K251 PolarHBondContact O-N 2.93Å; I248-K251 VanDerWaalsContact O-N 3.09Å; A249-K251 VanDerWaalsContact C-N 3.26Å; A249-K251 PolarHBondContact O-N 2.97Å; K251-R254 PolarHBondContact O-N 2.85Å; K251-A255 WeakPolarHBondContact O-CB 3.36Å; K251-A255 PolarHBondContact O-N 3.06Å; K251-L267 HydrophobicContact CB-CD1 4.2Å; K251-L267 HydrophobicContact CB-CD2 4.21Å
252	V	93.4	Very high	91.1	Very high	9 Å²	9	75.2 Å²	75.2	6%	0.055	41%	0.407	C	S	.	.	H	α-helix	trans	-59	-53.4	171.7	173	0	0	0	0	109.9	I248 A249 R254 A255 E256 L267 K268 L271	I248-V252 PolarHBondContact O-N 3.34Å; A249-V252 WeakPolarHBondContact O-CB 3.44Å; A249-V252 PolarHBondContact O-N 3.17Å; A249-V252 VanDerWaalsContact O-N 3.12Å; V252-R254 VanDerWaalsContact C-N 3.27Å; V252-R254 PolarHBondContact O-N 2.82Å; V252-A255 PolarHBondContact O-N 2.96Å; V252-E256 HydrophobicContact CG1-CG 4.34Å; V252-E256 WeakPolarHBondContact O-CG 3.34Å; V252-E256 PolarHBondContact O-N 3.16Å; V252-L267 HydrophobicContact CG2-CB 3.59Å; V252-K268 HydrophobicContact CG1-CD 4.36Å; V252-K268 HydrophobicContact CG1-CG 3.75Å; V252-K268 HydrophobicContact CG2-CG 4.07Å; V252-L271 HydrophobicContact CG2-CD1 4.13Å
253	M	92.1	Very high	91	Very high	117 Å²	117	74.9 Å²	74.9	58%	0.576	40%	0.401	S	S	*	.	H	α-helix	trans	-55.4	-40.2	179.2	-64.7	-63.7	-60.8	0	0	112.5	A249 L257	A249-M253 WeakPolarHBondContact O-CG 3.33Å; A249-M253 PolarHBondContact O-N 3.05Å; M253-L257 WeakPolarHBondContact O-CG 3.28Å; M253-L257 PolarHBondContact O-N 3.44Å; M253-L257 VanDerWaalsContact O-N 3.14Å
254	R	91.2	Very high	91.1	Very high	170 Å²	170	69.9 Å²	69.9	64%	0.642	38%	0.375	S	S	*	.	H	α-helix	trans	-67.2	-44.7	175.5	-71.9	173.2	-167.5	-150.5	1	112.5	A250 K251 V252 E256 L257 E258	A250-R254 VanDerWaalsContact O-CG 3.29Å; A250-R254 WeakPolarHBondContact O-CG 3.44Å; A250-R254 PolarHBondContact O-N 3.25Å; K251-R254 PolarHBondContact O-N 2.85Å; V252-R254 VanDerWaalsContact C-N 3.27Å; V252-R254 PolarHBondContact O-N 2.82Å; R254-E256 PolarHBondContact O-N 2.91Å; R254-L257 PolarHBondContact O-N 2.92Å; R254-E258 WeakPolarHBondContact O-CB 3.47Å; R254-E258 WeakPolarHBondContact O-CG 3.19Å; R254-E258 PolarHBondContact O-N 2.74Å
255	A	92.4	Very high	91.2	Very high	3 Å²	3	75.4 Å²	75.4	3%	0.025	40%	0.4	C	S	.	.	H	α-helix	trans	-65.3	-28.6	178.1	0	0	0	0	0	112.9	K251 V252 S259 N260 K263 V264 L267	K251-A255 WeakPolarHBondContact O-CB 3.36Å; K251-A255 PolarHBondContact O-N 3.06Å; V252-A255 PolarHBondContact O-N 2.96Å; A255-S259 PolarHBondContact O-N 2.96Å; A255-N260 PolarHBondContact O-N 3.2Å; A255-K263 HydrophobicContact CB-CB 4.15Å; A255-V264 HydrophobicContact CB-CG2 3.72Å; A255-V264 WeakPolarHBondContact O-CG2 3.36Å; A255-L267 HydrophobicContact CB-CD1 3.7Å
256	E	91.3	Very high	91.3	Very high	77 Å²	77	80.6 Å²	80.6	36%	0.36	42%	0.422	S	S	.	.	H	α-helix	trans	-70	-42.9	172.5	-71.5	176.5	141.5	0	0	111.4	V252 R254 S259 V264 K268	V252-E256 HydrophobicContact CG1-CG 4.34Å; V252-E256 WeakPolarHBondContact O-CG 3.34Å; V252-E256 PolarHBondContact O-N 3.16Å; R254-E256 PolarHBondContact O-N 2.91Å; E256-S259 PolarHBondContact O-N 3.04Å; E256-S259 VanDerWaalsContact O-N 3.11Å; E256-V264 HydrophobicContact CB-CG2 4.3Å; E256-V264 HydrophobicContact CG-CB 4.3Å; E256-V264 HydrophobicContact CG-CG1 3.65Å; E256-V264 HydrophobicContact CG-CG2 3.56Å; E256-K268 WeakPolarHBondContact OE1-CE 3.34Å; E256-K268 IonicContact OE1-NZ 2.96Å; E256-K268 PolarHBondContact OE1-NZ 3.38Å
257	L	92.7	Very high	91.3	Very high	148 Å²	148	77.1 Å²	77.1	78%	0.775	40%	0.403	S	S	*	.	H	α-helix	trans	-66.6	-37.8	172.8	-66.8	168.9	0	0	0	112.5	M253 R254 S259	M253-L257 WeakPolarHBondContact O-CG 3.28Å; M253-L257 PolarHBondContact O-N 3.44Å; M253-L257 VanDerWaalsContact O-N 3.14Å; R254-L257 PolarHBondContact O-N 2.92Å; L257-S259 PolarHBondContact O-N 2.55Å; L257-S259 VanDerWaalsContact O-N 3.13Å
258	E	90.4	Very high	91.4	Very high	122 Å²	122	79 Å²	79	57%	0.57	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-1.7	171.4	-72.2	171.3	-149.4	0	0	113.3	R254 N260	R254-E258 WeakPolarHBondContact O-CB 3.47Å; R254-E258 WeakPolarHBondContact O-CG 3.19Å; R254-E258 PolarHBondContact O-N 2.74Å; E258-N260 PolarHBondContact O-N 2.85Å; E258-N260 VanDerWaalsContact O-N 3.13Å
259	S	85.8	Confident	91.6	Very high	102 Å²	102	80.6 Å²	80.6	71%	0.713	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	30.5	176	-58.5	0	0	0	0	114.8	A255 E256 L257 P261	A255-S259 PolarHBondContact O-N 2.96Å; E256-S259 PolarHBondContact O-N 3.04Å; E256-S259 VanDerWaalsContact O-N 3.11Å; L257-S259 PolarHBondContact O-N 2.55Å; L257-S259 VanDerWaalsContact O-N 3.13Å; S259-P261 VanDerWaalsContact O-CD 3.26Å; S259-P261 WeakPolarHBondContact O-CD 3.4Å
260	N	89.1	Confident	91.5	Very high	57 Å²	57	80.7 Å²	80.7	31%	0.305	42%	0.415	S	S	.	.			trans	-107.7	91.6	-177.5	-169.1	-52.6	0	0	0	111.3	A255 E258 V262 K263 V264	A255-N260 PolarHBondContact O-N 3.2Å; E258-N260 PolarHBondContact O-N 2.85Å; E258-N260 VanDerWaalsContact O-N 3.13Å; N260-V262 VanDerWaalsContact C-N 3.32Å; N260-V262 PolarHBondContact O-N 2.73Å; N260-K263 HydrophobicContact CB-CB 4.25Å; N260-K263 HydrophobicContact CB-CD 4.1Å; N260-K263 HydrophobicContact CB-CG 4.33Å; N260-K263 PolarHBondContact O-N 3.25Å; N260-K263 VanDerWaalsContact O-N 3.12Å; N260-K263 WeakPolarHBondContact OD1-CG 3.44Å; N260-K263 PolarHBondContact OD1-N 3Å; N260-V264 WeakPolarHBondContact O-CG2 3.35Å; N260-V264 PolarHBondContact O-N 3.24Å; N260-V264 VanDerWaalsContact O-N 3.12Å
261	P	90.2	Very high	91.4	Very high	85 Å²	85	79.3 Å²	79.3	55%	0.552	40%	0.402	S	S	*	.	H	α-helix	trans	-61.6	-36.9	-169.1	22.8	-33.6	0	0	0	113.2	S259 K263 V264 E265	S259-P261 VanDerWaalsContact O-CD 3.26Å; S259-P261 WeakPolarHBondContact O-CD 3.4Å; P261-K263 VanDerWaalsContact C-N 3.32Å; P261-K263 PolarHBondContact O-N 2.86Å; P261-V264 WeakPolarHBondContact O-CB 3.35Å; P261-V264 PolarHBondContact O-N 2.81Å; P261-V264 VanDerWaalsContact O-N 3.12Å; P261-E265 PolarHBondContact O-N 2.99Å
262	V	91.5	Very high	91.4	Very high	85 Å²	85	79 Å²	79	52%	0.515	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-34.8	179.9	-175.7	0	0	0	0	111.8	N260 K266	N260-V262 VanDerWaalsContact C-N 3.32Å; N260-V262 PolarHBondContact O-N 2.73Å; V262-K266 VanDerWaalsContact O-CG 3.31Å; V262-K266 WeakPolarHBondContact O-CG 3.49Å; V262-K266 PolarHBondContact O-N 2.83Å
263	K	89.7	Confident	91.3	Very high	95 Å²	95	83.1 Å²	83.1	41%	0.413	42%	0.419	S	S	.	.	H	α-helix	trans	-69.8	-42.7	171.5	-71.1	179.9	-175.4	-179.7	0	111.1	A255 N260 P261 K266 L267	A255-K263 HydrophobicContact CB-CB 4.15Å; N260-K263 HydrophobicContact CB-CB 4.25Å; N260-K263 HydrophobicContact CB-CD 4.1Å; N260-K263 HydrophobicContact CB-CG 4.33Å; N260-K263 PolarHBondContact O-N 3.25Å; N260-K263 VanDerWaalsContact O-N 3.12Å; N260-K263 WeakPolarHBondContact OD1-CG 3.44Å; N260-K263 PolarHBondContact OD1-N 3Å; P261-K263 VanDerWaalsContact C-N 3.32Å; P261-K263 PolarHBondContact O-N 2.86Å; K263-K266 PolarHBondContact O-N 3.16Å; K263-L267 WeakPolarHBondContact O-CB 3.43Å; K263-L267 VanDerWaalsContact O-CG 3.26Å; K263-L267 WeakPolarHBondContact O-CG 3.48Å; K263-L267 PolarHBondContact O-N 3.48Å
264	V	90.7	Very high	91.1	Very high	14 Å²	14	79 Å²	79	9%	0.085	40%	0.398	C	S	.	.	H	α-helix	trans	-59.1	-48.6	179.1	174.3	0	0	0	0	111.8	A255 E256 N260 P261 L267 K268	A255-V264 HydrophobicContact CB-CG2 3.72Å; A255-V264 WeakPolarHBondContact O-CG2 3.36Å; E256-V264 HydrophobicContact CB-CG2 4.3Å; E256-V264 HydrophobicContact CG-CB 4.3Å; E256-V264 HydrophobicContact CG-CG1 3.65Å; E256-V264 HydrophobicContact CG-CG2 3.56Å; N260-V264 WeakPolarHBondContact O-CG2 3.35Å; N260-V264 PolarHBondContact O-N 3.24Å; N260-V264 VanDerWaalsContact O-N 3.12Å; P261-V264 WeakPolarHBondContact O-CB 3.35Å; P261-V264 PolarHBondContact O-N 2.81Å; P261-V264 VanDerWaalsContact O-N 3.12Å; V264-L267 PolarHBondContact O-N 3.49Å; V264-K268 HydrophobicContact CG1-CD 3.84Å; V264-K268 VanDerWaalsContact CG1-CE 3.49Å; V264-K268 HydrophobicContact CG1-CG 4.35Å; V264-K268 WeakPolarHBondContact O-CB 3.4Å; V264-K268 WeakPolarHBondContact O-CG 3.39Å; V264-K268 PolarHBondContact O-N 2.83Å
265	E	92	Very high	91.1	Very high	136 Å²	136	76.4 Å²	76.4	64%	0.636	39%	0.388	S	S	*	.	H	α-helix	trans	-61.2	-48.8	178.6	-72.1	-179.4	173.6	0	0	112.2	P261 L267 K268 A269	P261-E265 PolarHBondContact O-N 2.99Å; E265-L267 VanDerWaalsContact C-N 3.28Å; E265-L267 PolarHBondContact O-N 3.23Å; E265-K268 PolarHBondContact O-N 3.32Å; E265-A269 VanDerWaalsContact O-CB 3.3Å; E265-A269 WeakPolarHBondContact O-CB 3.45Å; E265-A269 PolarHBondContact O-N 2.91Å
266	K	92.4	Very high	91	Very high	131 Å²	131	79 Å²	79	57%	0.57	40%	0.4	S	S	*	.	H	α-helix	trans	-58	-40.1	176.9	-73.4	176.7	-179.6	-177.7	0	111.8	V262 K263 N270	V262-K266 VanDerWaalsContact O-CG 3.31Å; V262-K266 WeakPolarHBondContact O-CG 3.49Å; V262-K266 PolarHBondContact O-N 2.83Å; K263-K266 PolarHBondContact O-N 3.16Å; K266-N270 PolarHBondContact O-N 2.9Å
267	L	93	Very high	90.8	Very high	28 Å²	28	75.8 Å²	75.8	15%	0.147	39%	0.386	C	S	.	.	H	α-helix	trans	-73.7	-41.7	179.2	-70.7	167.6	0	0	0	112.4	K251 V252 A255 K263 V264 E265 N270 L271	K251-L267 HydrophobicContact CB-CD1 4.2Å; K251-L267 HydrophobicContact CB-CD2 4.21Å; V252-L267 HydrophobicContact CG2-CB 3.59Å; A255-L267 HydrophobicContact CB-CD1 3.7Å; K263-L267 WeakPolarHBondContact O-CB 3.43Å; K263-L267 VanDerWaalsContact O-CG 3.26Å; K263-L267 WeakPolarHBondContact O-CG 3.48Å; K263-L267 PolarHBondContact O-N 3.48Å; V264-L267 PolarHBondContact O-N 3.49Å; E265-L267 VanDerWaalsContact C-N 3.28Å; E265-L267 PolarHBondContact O-N 3.23Å; L267-N270 PolarHBondContact O-N 3.46Å; L267-N270 VanDerWaalsContact O-N 3.15Å; L267-L271 PolarHBondContact O-N 3.35Å
268	K	93.5	Very high	90.6	Very high	99 Å²	99	73 Å²	73	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-44.3	173.2	-75.6	177.4	178.8	171.8	0	111.7	V252 E256 V264 E265 N270 L271 E272	V252-K268 HydrophobicContact CG1-CD 4.36Å; V252-K268 HydrophobicContact CG1-CG 3.75Å; V252-K268 HydrophobicContact CG2-CG 4.07Å; E256-K268 WeakPolarHBondContact OE1-CE 3.34Å; E256-K268 IonicContact OE1-NZ 2.96Å; E256-K268 PolarHBondContact OE1-NZ 3.38Å; V264-K268 HydrophobicContact CG1-CD 3.84Å; V264-K268 VanDerWaalsContact CG1-CE 3.49Å; V264-K268 HydrophobicContact CG1-CG 4.35Å; V264-K268 WeakPolarHBondContact O-CB 3.4Å; V264-K268 WeakPolarHBondContact O-CG 3.39Å; V264-K268 PolarHBondContact O-N 2.83Å; E265-K268 PolarHBondContact O-N 3.32Å; K268-N270 PolarHBondContact O-N 2.95Å; K268-L271 WeakPolarHBondContact O-CB 3.42Å; K268-L271 PolarHBondContact O-N 3.14Å; K268-E272 PolarHBondContact O-N 3.5Å; K268-E272 VanDerWaalsContact O-N 3.12Å
269	A	93.7	Very high	90.5	Very high	52 Å²	52	74.3 Å²	74.3	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-64.3	-25.3	175.6	0	0	0	0	0	113.3	E265 K273	E265-A269 VanDerWaalsContact O-CB 3.3Å; E265-A269 WeakPolarHBondContact O-CB 3.45Å; E265-A269 PolarHBondContact O-N 2.91Å; A269-K273 WeakPolarHBondContact O-CD 3.27Å; A269-K273 WeakPolarHBondContact O-CE 3.5Å; A269-K273 VanDerWaalsContact O-CG 3.29Å; A269-K273 WeakPolarHBondContact O-CG 3.14Å
270	N	90.3	Very high	90.6	Very high	34 Å²	34	77.4 Å²	77.4	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-84.1	-35.8	171.8	-75.4	-15.6	0	0	0	112.5	K266 L267 K268 E272 K273 F274	K266-N270 PolarHBondContact O-N 2.9Å; L267-N270 PolarHBondContact O-N 3.46Å; L267-N270 VanDerWaalsContact O-N 3.15Å; K268-N270 PolarHBondContact O-N 2.95Å; N270-E272 VanDerWaalsContact C-N 3.32Å; N270-E272 PolarHBondContact O-N 3.02Å; N270-K273 PolarHBondContact O-N 3.32Å; N270-K273 PolarHBondContact OD1-NZ 3.31Å; N270-F274 WeakPolarHBondContact O-CD2 3.47Å; N270-F274 PolarHBondContact O-N 3.4Å
271	L	91.7	Very high	90.3	Very high	16 Å²	16	77.2 Å²	77.2	8%	0.084	38%	0.377	C	S	.	.	H	α-helix	trans	-55.9	-47.6	174.4	-156.5	178	0	0	0	110.5	I245 I248 A249 V252 L267 K268 K273 F274 R275	I245-L271 HydrophobicContact CG2-CD2 4.25Å; I248-L271 HydrophobicContact CG2-CB 3.79Å; I248-L271 HydrophobicContact CG2-CG 4.03Å; A249-L271 HydrophobicContact CB-CD1 4.01Å; V252-L271 HydrophobicContact CG2-CD1 4.13Å; L267-L271 PolarHBondContact O-N 3.35Å; K268-L271 WeakPolarHBondContact O-CB 3.42Å; K268-L271 PolarHBondContact O-N 3.14Å; L271-K273 PolarHBondContact O-N 2.95Å; L271-F274 PolarHBondContact O-N 3.19Å; L271-F274 VanDerWaalsContact O-N 3.14Å; L271-R275 HydrophobicContact CD2-CG 3.99Å; L271-R275 VanDerWaalsContact CD2-NE 3.31Å; L271-R275 PolarHBondContact O-N 3.27Å
272	E	91.9	Very high	89.9	Confident	79 Å²	79	77.2 Å²	77.2	37%	0.369	37%	0.372	S	S	.	.	H	α-helix	trans	-70.2	-30.4	-179.5	-160.8	53.2	-130.5	0	0	113	K268 N270 F274 R275 E276 R279	K268-E272 PolarHBondContact O-N 3.5Å; K268-E272 VanDerWaalsContact O-N 3.12Å; N270-E272 VanDerWaalsContact C-N 3.32Å; N270-E272 PolarHBondContact O-N 3.02Å; E272-F274 VanDerWaalsContact C-N 3.32Å; E272-F274 PolarHBondContact O-N 3.18Å; E272-R275 PolarHBondContact O-N 2.99Å; E272-R275 WeakPolarHBondContact OE1-CB 3.39Å; E272-R275 WeakPolarHBondContact OE2-CD 3.35Å; E272-R275 IonicContact OE2-CZ 2.7Å; E272-R275 IonicContact OE2-NE 2.68Å; E272-R275 IonicContact OE2-NH1 2.73Å; E272-R275 PolarHBondContact OE2-NH1 2.94Å; E272-E276 WeakPolarHBondContact O-CB 3.46Å; E272-E276 PolarHBondContact O-N 3.15Å; E272-R279 IonicContact OE1-CZ 2.68Å; E272-R279 IonicContact OE1-NH2 3.17Å; E272-R279 PolarHBondContact OE1-NH2 2.96Å
273	K	91	Very high	89.4	Confident	95 Å²	95	80.2 Å²	80.2	41%	0.413	38%	0.378	S	S	.	.	H	α-helix	trans	-62.6	-38.6	169.6	-68.1	166.6	-159.2	160	0	112	L220 A269 N270 L271 E276 A277	L220-K273 HydrophobicContact CD1-CD 4.37Å; A269-K273 WeakPolarHBondContact O-CD 3.27Å; A269-K273 WeakPolarHBondContact O-CE 3.5Å; A269-K273 VanDerWaalsContact O-CG 3.29Å; A269-K273 WeakPolarHBondContact O-CG 3.14Å; N270-K273 PolarHBondContact O-N 3.32Å; N270-K273 PolarHBondContact OD1-NZ 3.31Å; L271-K273 PolarHBondContact O-N 2.95Å; K273-E276 PolarHBondContact O-N 3.14Å; K273-A277 VanDerWaalsContact O-CB 3.27Å; K273-A277 WeakPolarHBondContact O-CB 3.5Å; K273-A277 PolarHBondContact O-N 3.4Å
274	F	89.5	Confident	89	Confident	31 Å²	31	77.3 Å²	77.3	14%	0.136	37%	0.368	C	S	.	.	H	α-helix	trans	-69.2	-39.4	177.2	-87.4	-116.2	0	0	0	111.5	V240 D244 I245 I248 N270 L271 E272 A277 M278 V284 I286	V240-F274 HydrophobicContact CB-CD1 4.34Å; V240-F274 HydrophobicContact CG1-CB 4.22Å; V240-F274 HydrophobicContact CG1-CD1 3.75Å; V240-F274 HydrophobicContact CG1-CG 4.42Å; V240-F274 HydrophobicContact CG2-CD1 3.64Å; V240-F274 HydrophobicContact CG2-CE1 4.08Å; V240-F274 HydrophobicContact CG2-CG 4.21Å; D244-F274 HydrophobicContact CB-CD1 3.98Å; D244-F274 HydrophobicContact CB-CE1 3.99Å; I245-F274 HydrophobicContact CG1-CB 4.28Å; I248-F274 HydrophobicContact CD1-CB 4.33Å; I248-F274 HydrophobicContact CD1-CD1 3.59Å; I248-F274 HydrophobicContact CD1-CD2 3.58Å; I248-F274 HydrophobicContact CD1-CE1 3.67Å; I248-F274 HydrophobicContact CD1-CE2 3.65Å; I248-F274 HydrophobicContact CD1-CG 3.55Å; I248-F274 HydrophobicContact CD1-CZ 3.7Å; N270-F274 WeakPolarHBondContact O-CD2 3.47Å; N270-F274 PolarHBondContact O-N 3.4Å; L271-F274 PolarHBondContact O-N 3.19Å; L271-F274 VanDerWaalsContact O-N 3.14Å; E272-F274 VanDerWaalsContact C-N 3.32Å; E272-F274 PolarHBondContact O-N 3.18Å; F274-A277 PolarHBondContact O-N 3Å; F274-M278 WeakPolarHBondContact O-CB 3.32Å; F274-M278 PolarHBondContact O-N 3.07Å; F274-V284 HydrophobicContact CE2-CG1 4.31Å; F274-V284 HydrophobicContact CZ-CG1 4.15Å; F274-I286 HydrophobicContact CE1-CD1 3.94Å; F274-I286 HydrophobicContact CE1-CG1 4.09Å; F274-I286 HydrophobicContact CZ-CD1 4.46Å; F274-I286 HydrophobicContact CZ-CG1 4.1Å
275	R	90.6	Very high	88.5	Confident	116 Å²	116	83.7 Å²	83.7	44%	0.438	39%	0.391	S	S	.	.	H	α-helix	trans	-62.3	-45.2	170.8	-74.8	169.7	170.1	169.2	-0.2	112.6	L271 E272 M278 R279	L271-R275 HydrophobicContact CD2-CG 3.99Å; L271-R275 VanDerWaalsContact CD2-NE 3.31Å; L271-R275 PolarHBondContact O-N 3.27Å; E272-R275 PolarHBondContact O-N 2.99Å; E272-R275 WeakPolarHBondContact OE1-CB 3.39Å; E272-R275 WeakPolarHBondContact OE2-CD 3.35Å; E272-R275 IonicContact OE2-CZ 2.7Å; E272-R275 IonicContact OE2-NE 2.68Å; E272-R275 IonicContact OE2-NH1 2.73Å; E272-R275 PolarHBondContact OE2-NH1 2.94Å; R275-M278 PolarHBondContact O-N 3.33Å; R275-R279 WeakPolarHBondContact O-CB 3.38Å; R275-R279 WeakPolarHBondContact O-CG 3.45Å; R275-R279 PolarHBondContact O-N 2.84Å
276	E	89.2	Confident	87.8	Confident	58 Å²	58	78.2 Å²	78.2	27%	0.271	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-42.5	177.1	-168.9	68.4	-139	0	0	111.5	E272 K273 R279 R280	E272-E276 WeakPolarHBondContact O-CB 3.46Å; E272-E276 PolarHBondContact O-N 3.15Å; K273-E276 PolarHBondContact O-N 3.14Å; E276-R279 PolarHBondContact O-N 2.9Å; E276-R279 IonicContact OE1-NH1 2.74Å; E276-R279 PolarHBondContact OE1-NH1 2.67Å; E276-R279 IonicContact OE2-CZ 3.69Å; E276-R279 IonicContact OE2-NH1 3.98Å; E276-R279 PolarHBondContact OE2-NH1 2.78Å; E276-R279 IonicContact OE2-NH2 3.44Å; E276-R279 PolarHBondContact OE2-NH2 3.47Å; E276-R280 WeakPolarHBondContact O-CB 3.3Å; E276-R280 WeakPolarHBondContact O-CG 3.32Å; E276-R280 PolarHBondContact O-N 3.41Å; E276-R280 IonicContact OE1-CZ 3.9Å; E276-R280 IonicContact OE1-NE 2.78Å; E276-R280 PolarHBondContact OE1-NE 2.86Å; E276-R280 IonicContact OE1-NH2 2.67Å; E276-R280 PolarHBondContact OE1-NH2 2.78Å
277	A	88.8	Confident	86.9	Confident	9 Å²	9	77.2 Å²	77.2	7%	0.074	36%	0.358	C	S	.	.	H	α-helix	trans	-63.7	-40.9	176	0	0	0	0	0	112.1	V240 K273 F274 R280 G281 I282 V284	V240-A277 HydrophobicContact CG2-CB 4.13Å; K273-A277 VanDerWaalsContact O-CB 3.27Å; K273-A277 WeakPolarHBondContact O-CB 3.5Å; K273-A277 PolarHBondContact O-N 3.4Å; F274-A277 PolarHBondContact O-N 3Å; A277-R280 PolarHBondContact O-N 2.87Å; A277-G281 PolarHBondContact O-N 3.03Å; A277-I282 HydrophobicContact CB-CB 4.39Å; A277-I282 PolarHBondContact O-N 3.41Å; A277-V284 HydrophobicContact CB-CG2 3.5Å; A277-V284 VanDerWaalsContact CB-CG2 3.5Å
278	M	88.2	Confident	85.5	Confident	89 Å²	89	78 Å²	78	44%	0.438	36%	0.364	S	S	.	.	H	α-helix	trans	-63.2	-48	173.1	-168.4	-169.3	-178.1	0	0	111.3	V240 N242 I245 F274 R275 R280 G281	V240-M278 HydrophobicContact CB-CB 4.44Å; V240-M278 HydrophobicContact CG1-CB 4.33Å; N242-M278 VanDerWaalsContact OD1-CE 3.24Å; N242-M278 WeakPolarHBondContact OD1-CE 3.41Å; I245-M278 HydrophobicContact CD1-CB 4.27Å; I245-M278 HydrophobicContact CD1-CG 4.47Å; I245-M278 HydrophobicContact CD1-SD 3.5Å; I245-M278 VanDerWaalsContact CD1-SD 3.5Å; F274-M278 WeakPolarHBondContact O-CB 3.32Å; F274-M278 PolarHBondContact O-N 3.07Å; R275-M278 PolarHBondContact O-N 3.33Å; M278-R280 PolarHBondContact O-N 2.88Å; M278-G281 PolarHBondContact O-N 3.29Å
279	R	87.7	Confident	83.8	Confident	150 Å²	150	77.3 Å²	77.3	57%	0.566	37%	0.368	S	S	*	.	H	α-helix	trans	-60.6	-28.1	177	-76.1	-172.5	-79.7	99	-2.1	113.4	E272 R275 E276	E272-R279 IonicContact OE1-CZ 2.68Å; E272-R279 IonicContact OE1-NH2 3.17Å; E272-R279 PolarHBondContact OE1-NH2 2.96Å; R275-R279 WeakPolarHBondContact O-CB 3.38Å; R275-R279 WeakPolarHBondContact O-CG 3.45Å; R275-R279 PolarHBondContact O-N 2.84Å; E276-R279 PolarHBondContact O-N 2.9Å; E276-R279 IonicContact OE1-NH1 2.74Å; E276-R279 PolarHBondContact OE1-NH1 2.67Å; E276-R279 IonicContact OE2-CZ 3.69Å; E276-R279 IonicContact OE2-NH1 3.98Å; E276-R279 PolarHBondContact OE2-NH1 2.78Å; E276-R279 IonicContact OE2-NH2 3.44Å; E276-R279 PolarHBondContact OE2-NH2 3.47Å
280	R	88.3	Confident	81.8	Confident	166 Å²	166	81.2 Å²	81.2	63%	0.626	38%	0.377	S	S	*	.	H	α-helix	trans	-98	-3.7	177.5	-64.7	-175.5	-167.7	-165.8	6.3	114.9	E276 A277 M278 I282	E276-R280 WeakPolarHBondContact O-CB 3.3Å; E276-R280 WeakPolarHBondContact O-CG 3.32Å; E276-R280 PolarHBondContact O-N 3.41Å; E276-R280 IonicContact OE1-CZ 3.9Å; E276-R280 IonicContact OE1-NE 2.78Å; E276-R280 PolarHBondContact OE1-NE 2.86Å; E276-R280 IonicContact OE1-NH2 2.67Å; E276-R280 PolarHBondContact OE1-NH2 2.78Å; A277-R280 PolarHBondContact O-N 2.87Å; M278-R280 PolarHBondContact O-N 2.88Å; R280-I282 HydrophobicContact CB-CD1 3.62Å; R280-I282 HydrophobicContact CB-CG1 3.71Å; R280-I282 HydrophobicContact CG-CD1 4.3Å; R280-I282 PolarHBondContact O-N 3.11Å
281	G	82.9	Confident	79.7	Confident	53 Å²	53	87.8 Å²	87.8	55%	0.546	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	27.4	-173.7	0	0	0	0	0	114.3	L239 A277 M278	L239-G281 VanDerWaalsContact CD2-O 3.26Å; L239-G281 WeakPolarHBondContact CD2-O 3.11Å; A277-G281 PolarHBondContact O-N 3.03Å; M278-G281 PolarHBondContact O-N 3.29Å
282	I	81.5	Confident	77.2	Confident	86 Å²	86	94 Å²	94	44%	0.441	44%	0.437	S	S	.	.			trans	-84.3	134.9	-177.2	-66.9	172.2	0	0	0	109.9	A277 R280	A277-I282 HydrophobicContact CB-CB 4.39Å; A277-I282 PolarHBondContact O-N 3.41Å; R280-I282 HydrophobicContact CB-CD1 3.62Å; R280-I282 HydrophobicContact CB-CG1 3.71Å; R280-I282 HydrophobicContact CG-CD1 4.3Å; R280-I282 PolarHBondContact O-N 3.11Å
283	K	80.4	Confident	74.9	Confident	147 Å²	147	99.1 Å²	99.1	64%	0.639	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.7	170.1	-66.7	-174.6	179.5	-173.5	0	110.4	R238 L239	R238-K283 CarbonylContact O-C 3.6Å; R238-K283 WeakPolarHBondContact O-CA 3.12Å; L239-K283 HydrophobicContact CD2-CG 3.88Å; L239-K283 HydrophobicContact CG-CG 4.33Å
284	V	81.5	Confident	72.2	Confident	34 Å²	34	101 Å²	101	21%	0.206	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.8	178	-178.5	0	0	0	0	108.8	R238 V240 F274 A277 I286	R238-V284 PolarHBondContact N-O 3.37Å; R238-V284 PolarHBondContact O-N 2.93Å; V240-V284 HydrophobicContact CG2-CB 4.14Å; V240-V284 HydrophobicContact CG2-CG2 3.75Å; F274-V284 HydrophobicContact CE2-CG1 4.31Å; F274-V284 HydrophobicContact CZ-CG1 4.15Å; A277-V284 HydrophobicContact CB-CG2 3.5Å; A277-V284 VanDerWaalsContact CB-CG2 3.5Å; V284-I286 HydrophobicContact CB-CG1 4.41Å; V284-I286 HydrophobicContact CG1-CG1 4.26Å; V284-I286 PolarHBondContact O-N 3.45Å
285	R	80.1	Confident	69.7	Low	149 Å²	149	104.6 Å²	104.6	56%	0.562	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	101.3	173.7	-168.2	176.9	-179.4	119.5	-8	109.3	F235 E236 E237	F235-R285 HydrophobicContact CB-CG 4.17Å; F235-R285 HydrophobicContact CD1-CG 3.99Å; E236-R285 CarbonylContact O-C 3.51Å; E236-R285 WeakPolarHBondContact O-CA 3.24Å; E237-R285 HydrophobicContact CG-CB 3.83Å; E237-R285 HydrophobicContact CG-CG 3.71Å; E237-R285 WeakPolarHBondContact OE1-CD 3.4Å; E237-R285 IonicContact OE1-CZ 3.97Å; E237-R285 IonicContact OE1-NE 2.72Å; E237-R285 IonicContact OE1-NH1 2.62Å; E237-R285 PolarHBondContact OE1-NH1 3.19Å
286	I	77.7	Confident	67.1	Low	20 Å²	20	107.3 Å²	107.3	10%	0.103	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	135.3	-176.1	-56.9	174	0	0	0	108.7	F235 E236 R238 F274 V284 T288	F235-I286 WeakPolarHBondContact CA-O 3.08Å; E236-I286 PolarHBondContact N-O 2.71Å; E236-I286 PolarHBondContact O-N 2.95Å; R238-I286 HydrophobicContact CG-CD1 4.47Å; F274-I286 HydrophobicContact CE1-CD1 3.94Å; F274-I286 HydrophobicContact CE1-CG1 4.09Å; F274-I286 HydrophobicContact CZ-CD1 4.46Å; F274-I286 HydrophobicContact CZ-CG1 4.1Å; V284-I286 HydrophobicContact CB-CG1 4.41Å; V284-I286 HydrophobicContact CG1-CG1 4.26Å; V284-I286 PolarHBondContact O-N 3.45Å; I286-T288 PolarHBondContact O-N 2.75Å
287	R	72.8	Confident	64.3	Low	111 Å²	111	111.2 Å²	111.2	42%	0.419	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	104.8	167.3	-79.3	-171.1	-177.1	-177.4	2.8	109.1	F235 V289	F235-R287 HydrophobicContact CD1-CG 3.61Å; F235-R287 HydrophobicContact CE1-CG 3.48Å; F235-R287 VanDerWaalsContact CE1-CG 3.48Å; F235-R287 VanDerWaalsContact CE1-NE 3.33Å; F235-R287 HydrophobicContact CG-CG 4.27Å; F235-R287 HydrophobicContact CZ-CG 4Å; R287-V289 PolarHBondContact O-N 3.08Å
288	T	63.8	Low	61.9	Low	45 Å²	45	119.5 Å²	119.5	28%	0.276	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.1	89.2	179	-27.8	0	0	0	0	108.5	T234 I286 Q290	T234-T288 PolarHBondContact O-N 3.33Å; T234-T288 PolarHBondContact OG1-O 2.86Å; I286-T288 PolarHBondContact O-N 2.75Å; T288-Q290 PolarHBondContact O-N 2.7Å
289	V	57.8	Low	59.4	Low	83 Å²	83	121.9 Å²	121.9	50%	0.503	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.7	109	171.1	-178.5	0	0	0	0	107.8	C231 R287 K291	C231-V289 HydrophobicContact CB-CG1 4.29Å; R287-V289 PolarHBondContact O-N 3.08Å; V289-K291 HydrophobicContact CG1-CG 4.32Å; V289-K291 PolarHBondContact O-N 3.35Å
290	Q	52.1	Low	56.9	Low	135 Å²	135	117.5 Å²	117.5	63%	0.631	61%	0.607	S	S	*	*			trans	-70.7	78.6	169.1	-70.8	-172.1	-10.7	0	0	109	T288 N292	T288-Q290 PolarHBondContact O-N 2.7Å; Q290-N292 PolarHBondContact O-N 3.38Å; Q290-N292 VanDerWaalsContact O-N 3.09Å
291	K	47.1	Very low	54.5	Low	171 Å²	171	116 Å²	116	74%	0.743	61%	0.611	S	S	*	*			trans	-60.7	114	158.6	-79.4	-158.2	171	-160.5	0	106.9	V289 K293	V289-K291 HydrophobicContact CG1-CG 4.32Å; V289-K291 PolarHBondContact O-N 3.35Å; K291-K293 PolarHBondContact O-N 3.25Å
292	N	38.1	Very low	52.5	Low	146 Å²	146	120.9 Å²	120.9	78%	0.781	63%	0.625	S	S	*	*			trans	-50.8	108.5	162.1	-73.8	-21.7	0	0	0	107.1	Q290 T294	Q290-N292 PolarHBondContact O-N 3.38Å; Q290-N292 VanDerWaalsContact O-N 3.09Å; N292-T294 PolarHBondContact O-N 2.95Å
293	K	43	Very low	51.2	Low	188 Å²	188	123.6 Å²	123.6	82%	0.817	64%	0.635	S	S	*	*			trans	-67.7	102.9	172.6	-79	-173.6	176.9	-178.6	0	106.3	K291 V295	K291-K293 PolarHBondContact O-N 3.25Å; K293-V295 HydrophobicContact CB-CG2 4.35Å; K293-V295 PolarHBondContact O-N 3.18Å
294	T	35.4	Very low	50.5	Low	135 Å²	135	121.7 Å²	121.7	83%	0.828	64%	0.641	S	S	*	*			trans	-60.8	88.4	156.7	36.9	0	0	0	0	107.2	N292 H296	N292-T294 PolarHBondContact O-N 2.95Å; T294-H296 PolarHBondContact O-N 2.92Å
295	V	37.4	Very low	50.5	Low	105 Å²	105	128.2 Å²	128.2	64%	0.636	67%	0.666	S	S	*	*			trans	-64.9	108.2	176.4	176.3	0	0	0	0	106.8	K293 N297	K293-V295 HydrophobicContact CB-CG2 4.35Å; K293-V295 PolarHBondContact O-N 3.18Å; V295-N297 PolarHBondContact O-N 2.96Å
296	H	35.7	Very low	50.8	Low	173 Å²	173	128.9 Å²	128.9	80%	0.801	68%	0.679	S	S	*	*			trans	-62.8	111.3	178	-119.6	-51.5	0	0	0	109.4	T294 Q298	T294-H296 PolarHBondContact O-N 2.92Å; H296-Q298 PolarHBondContact O-N 2.83Å
297	N	30.6	Very low	51.2	Low	141 Å²	141	131.2 Å²	131.2	75%	0.754	69%	0.691	S	S	*	*			trans	31	76	157.9	-60.4	1.3	0	0	0	116.8	V295	V295-N297 PolarHBondContact O-N 2.96Å
298	Q	38.7	Very low	52	Low	183 Å²	183	129.6 Å²	129.6	86%	0.855	70%	0.702	S	S	*	*				-105.2	114.1	128.5	-71.2	-169.9	-2.5	0	0	107.2	H296 G300	H296-Q298 PolarHBondContact O-N 2.83Å; Q298-G300 PolarHBondContact O-N 3.4Å; Q298-G300 VanDerWaalsContact O-N 3.07Å
299	S	34.7	Very low	53.3	Low	138 Å²	138	129.6 Å²	129.6	97%	0.965	70%	0.7	S	S	*	*			trans	-78.1	92.5	178.8	-166.7	0	0	0	0	108.9
300	G	35	Very low	54.8	Low	59 Å²	59	127.4 Å²	127.4	61%	0.608	69%	0.687	S	S	*	*	S	Bend	trans	-160.8	79.5	-174.6	0	0	0	0	0	111.8	Q298 N302	Q298-G300 PolarHBondContact O-N 3.4Å; Q298-G300 VanDerWaalsContact O-N 3.07Å; G300-N302 PolarHBondContact O-N 2.9Å; G300-N302 VanDerWaalsContact O-N 3.12Å
301	N	38.2	Very low	56.5	Low	135 Å²	135	124.3 Å²	124.3	72%	0.722	67%	0.669	S	S	*	*			trans	28.1	67.7	167.3	-83.9	-22.8	0	0	0	116.5	Q303	N301-Q303 HydrophobicContact CB-CG 4.15Å; N301-Q303 PolarHBondContact O-N 3.34Å; N301-Q303 PolarHBondContact OD1-NE2 2.88Å
302	N	41.3	Very low	58.2	Low	154 Å²	154	118.1 Å²	118.1	82%	0.824	64%	0.644	S	S	*	*			trans	-71.5	51.9	156.5	-94.5	-31.4	0	0	0	110.6	G300 S304	G300-N302 PolarHBondContact O-N 2.9Å; G300-N302 VanDerWaalsContact O-N 3.12Å; N302-S304 PolarHBondContact O-N 3.36Å
303	Q	53.8	Low	60.4	Low	143 Å²	143	111.9 Å²	111.9	67%	0.668	61%	0.611	S	S	*	*			trans	-68.9	117.3	168.3	-65.8	-177.5	3.7	0	0	107.3	N301 K305	N301-Q303 HydrophobicContact CB-CG 4.15Å; N301-Q303 PolarHBondContact O-N 3.34Å; N301-Q303 PolarHBondContact OD1-NE2 2.88Å; Q303-K305 PolarHBondContact O-N 2.95Å
304	S	65.4	Low	62.3	Low	108 Å²	108	106.4 Å²	106.4	76%	0.755	59%	0.591	S	S	*	*			trans	-63.7	98.6	175.2	52.8	0	0	0	0	109.2	N302 I306	N302-S304 PolarHBondContact O-N 3.36Å; S304-I306 PolarHBondContact O-N 2.88Å
305	K	81.1	Confident	64.4	Low	171 Å²	171	106.3 Å²	106.3	74%	0.743	58%	0.58	S	S	*	*			trans	-56.4	107.1	-176.7	-173.6	173.9	-177.5	173.7	0	109.9	Q303 I307	Q303-K305 PolarHBondContact O-N 2.95Å; K305-I307 HydrophobicContact CG-CG1 4.31Å; K305-I307 PolarHBondContact O-N 3.47Å
306	I	86.5	Confident	66.3	Low	162 Å²	162	101.5 Å²	101.5	83%	0.831	55%	0.553	S	S	*	*			trans	-67	128.6	173.4	-58.9	177.5	0	0	0	106.9	S304	S304-I306 PolarHBondContact O-N 2.88Å
307	I	86.3	Confident	68.6	Low	70 Å²	70	97.6 Å²	97.6	36%	0.359	54%	0.536	S	S	.	.			trans	-122.4	115.3	-176.5	-69.1	154.2	0	0	0	106.9	K305 L309 Y419	K305-I307 HydrophobicContact CG-CG1 4.31Å; K305-I307 PolarHBondContact O-N 3.47Å; I307-L309 PolarHBondContact O-N 3.49Å; I307-Y419 HydrophobicContact CD1-CE1 3.84Å; I307-Y419 WeakPolarHBondContact CD1-OH 3.29Å; I307-Y419 HydrophobicContact CG2-CD1 4.32Å; I307-Y419 HydrophobicContact CG2-CD2 3.92Å; I307-Y419 HydrophobicContact CG2-CE1 3.99Å; I307-Y419 HydrophobicContact CG2-CE2 3.56Å; I307-Y419 HydrophobicContact CG2-CG 4.29Å
308	A	89.7	Confident	71.2	Confident	77 Å²	77	95 Å²	95	64%	0.636	52%	0.52	S	S	*	.			trans	-64.9	130.1	165.4	0	0	0	0	0	108.7
309	L	90.8	Very high	73.6	Confident	44 Å²	44	88 Å²	88	23%	0.23	49%	0.488	C	S	.	.			trans	-84.7	120.5	172	-64.3	176	0	0	0	108.1	I307 P320 V321 A415 V416	I307-L309 PolarHBondContact O-N 3.49Å; L309-P320 WeakPolarHBondContact O-CA 3.49Å; L309-V321 HydrophobicContact CB-CB 4.38Å; L309-V321 HydrophobicContact CB-CG2 4.29Å; L309-V321 WeakPolarHBondContact O-CG2 3.44Å; L309-V321 PolarHBondContact O-N 2.85Å; L309-A415 HydrophobicContact CB-CB 4.4Å; L309-A415 HydrophobicContact CD1-CB 4.18Å; L309-V416 HydrophobicContact CD1-CG2 3.83Å; L309-V416 HydrophobicContact CD2-CG2 4Å
310	T	90.2	Very high	76.2	Confident	38 Å²	38	85.7 Å²	85.7	23%	0.233	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	158.1	175.3	54.5	0	0	0	0	111.6	E318 I319	T310-E318 WeakPolarHBondContact CB-OE2 3.41Å; T310-E318 HydrophobicContact CG2-CB 4.4Å; T310-E318 PolarHBondContact OG1-OE2 3.01Å; T310-I319 CarbonylContact C-O 3.57Å; T310-I319 VanDerWaalsContact CA-O 3.25Å; T310-I319 WeakPolarHBondContact CA-O 3.5Å
311	R	87.3	Confident	78.7	Confident	69 Å²	69	84 Å²	84	26%	0.26	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	160	166.6	73.5	-173.1	-158.8	153.9	-2.6	110.5	E318 I319 V321 L371 D376	R311-E318 WeakPolarHBondContact O-CA 3.27Å; R311-I319 PolarHBondContact N-O 3.14Å; R311-I319 PolarHBondContact O-N 3.11Å; R311-V321 HydrophobicContact CB-CG2 3.93Å; R311-V321 HydrophobicContact CG-CG2 4.14Å; R311-L371 PolarHBondContact NE-O 3.02Å; R311-L371 PolarHBondContact NH2-O 3.03Å; R311-D376 IonicContact CZ-OD2 3.8Å; R311-D376 VanDerWaalsContact NH1-CG 3.25Å; R311-D376 IonicContact NH1-OD1 2.59Å; R311-D376 PolarHBondContact NH1-OD1 2.92Å; R311-D376 IonicContact NH1-OD2 3.71Å; R311-D376 PolarHBondContact NH1-OD2 2.57Å; R311-D376 IonicContact NH2-OD2 2.72Å; R311-D376 PolarHBondContact NH2-OD2 3.08Å
312	L	83.6	Confident	80.9	Confident	41 Å²	41	82.8 Å²	82.8	22%	0.215	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.9	172.3	-59.8	178.8	0	0	0	109.7	I317 E318 R476	L312-I317 WeakPolarHBondContact CA-O 3.3Å; L312-E318 HydrophobicContact CD2-CG 3.76Å; L312-R476 VanDerWaalsContact CD2-NH2 3.3Å
313	N	84	Confident	82.8	Confident	16 Å²	16	77.2 Å²	77.2	9%	0.086	41%	0.407	C	S	.	.			trans	-81.7	-177.3	163	76	-11.9	0	0	0	110.6	Q315 G316 I317 I319 K574	N313-Q315 PolarHBondContact O-N 3.04Å; N313-Q315 VanDerWaalsContact OD1-C 3.32Å; N313-Q315 WeakPolarHBondContact OD1-CA 3.42Å; N313-Q315 PolarHBondContact OD1-N 2.97Å; N313-Q315 VanDerWaalsContact OD1-N 3.08Å; N313-G316 PolarHBondContact O-N 3.46Å; N313-G316 PolarHBondContact OD1-N 3.35Å; N313-I317 PolarHBondContact N-O 3.41Å; N313-I317 VanDerWaalsContact N-O 3.13Å; N313-I317 WeakPolarHBondContact OD1-CB 3.25Å; N313-I317 PolarHBondContact OD1-N 3.28Å; N313-I317 PolarHBondContact OD1-O 3.4Å; N313-I319 HydrophobicContact CB-CD1 3.77Å; N313-I319 HydrophobicContact CB-CG1 4.42Å; N313-K574 WeakPolarHBondContact O-CE 3.36Å; N313-K574 PolarHBondContact O-NZ 2.81Å
314	D	82.1	Confident	83.7	Confident	73 Å²	73	74.1 Å²	74.1	39%	0.39	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.7	177.9	-72.4	-38.9	0	0	0	114.9	G316 S373 A374 K574	D314-G316 PolarHBondContact O-N 2.9Å; D314-S373 PolarHBondContact OD1-OG 2.8Å; D314-S373 VanDerWaalsContact OD2-CA 3.31Å; D314-S373 WeakPolarHBondContact OD2-CA 3.31Å; D314-A374 PolarHBondContact OD1-N 2.87Å; D314-A374 PolarHBondContact OD2-N 3.01Å; D314-K574 IonicContact OD1-NZ 2.63Å; D314-K574 PolarHBondContact OD1-NZ 2.87Å
315	Q	79.7	Confident	83.8	Confident	132 Å²	132	74.1 Å²	74.1	62%	0.617	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	4.5	169.1	-61.8	174	-20.7	0	0	112.8	N313 I317 P573	N313-Q315 PolarHBondContact O-N 3.04Å; N313-Q315 VanDerWaalsContact OD1-C 3.32Å; N313-Q315 WeakPolarHBondContact OD1-CA 3.42Å; N313-Q315 PolarHBondContact OD1-N 2.97Å; N313-Q315 VanDerWaalsContact OD1-N 3.08Å; Q315-I317 HydrophobicContact CB-CD1 4.01Å; Q315-I317 HydrophobicContact CB-CG1 4.11Å; Q315-I317 PolarHBondContact O-N 2.88Å; Q315-P573 WeakPolarHBondContact O-CG 3.43Å
316	G	78.3	Confident	83.2	Confident	5 Å²	5	69 Å²	69	5%	0.052	36%	0.361	C	S	.	.			trans	69.2	15.6	178.7	0	0	0	0	0	114.9	N313 D314 R476	N313-G316 PolarHBondContact O-N 3.46Å; N313-G316 PolarHBondContact OD1-N 3.35Å; D314-G316 PolarHBondContact O-N 2.9Å; G316-R476 PolarHBondContact O-NE 3.21Å; G316-R476 PolarHBondContact O-NH2 2.79Å
317	I	83.6	Confident	82	Confident	90 Å²	90	63.4 Å²	63.4	46%	0.462	34%	0.335	S	S	.	.			trans	-84.3	140	176.8	-56.7	172.3	0	0	0	108.9	L312 N313 Q315 I319	L312-I317 WeakPolarHBondContact CA-O 3.3Å; N313-I317 PolarHBondContact N-O 3.41Å; N313-I317 VanDerWaalsContact N-O 3.13Å; N313-I317 WeakPolarHBondContact OD1-CB 3.25Å; N313-I317 PolarHBondContact OD1-N 3.28Å; N313-I317 PolarHBondContact OD1-O 3.4Å; Q315-I317 HydrophobicContact CB-CD1 4.01Å; Q315-I317 HydrophobicContact CB-CG1 4.11Å; Q315-I317 PolarHBondContact O-N 2.88Å; I317-I319 HydrophobicContact CG2-CG1 4.5Å; I317-I319 PolarHBondContact O-N 3.12Å
318	E	85	Confident	80.7	Confident	86 Å²	86	62.9 Å²	62.9	40%	0.402	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	118.9	173.1	-63.4	-143.7	173.5	0	0	111.5	T310 R311 L312 R422	T310-E318 WeakPolarHBondContact CB-OE2 3.41Å; T310-E318 HydrophobicContact CG2-CB 4.4Å; T310-E318 PolarHBondContact OG1-OE2 3.01Å; R311-E318 WeakPolarHBondContact O-CA 3.27Å; L312-E318 HydrophobicContact CD2-CG 3.76Å; E318-R422 IonicContact OE1-CZ 3.53Å; E318-R422 IonicContact OE1-NH1 3.46Å; E318-R422 PolarHBondContact OE1-NH1 2.74Å; E318-R422 IonicContact OE2-CZ 3.54Å; E318-R422 IonicContact OE2-NH1 2.68Å; E318-R422 PolarHBondContact OE2-NH1 3.29Å
319	I	88.7	Confident	78.8	Confident	36 Å²	36	66.2 Å²	66.2	19%	0.185	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.9	178.7	-56.1	-169.9	0	0	0	109.3	T310 R311 N313 I317 L371	T310-I319 CarbonylContact C-O 3.57Å; T310-I319 VanDerWaalsContact CA-O 3.25Å; T310-I319 WeakPolarHBondContact CA-O 3.5Å; R311-I319 PolarHBondContact N-O 3.14Å; R311-I319 PolarHBondContact O-N 3.11Å; N313-I319 HydrophobicContact CB-CD1 3.77Å; N313-I319 HydrophobicContact CB-CG1 4.42Å; I317-I319 HydrophobicContact CG2-CG1 4.5Å; I317-I319 PolarHBondContact O-N 3.12Å; I319-L371 HydrophobicContact CG2-CD2 3.56Å
320	P	90.3	Very high	76.6	Confident	90 Å²	90	68.3 Å²	68.3	58%	0.584	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.7	137.6	173.6	24.8	-35.3	0	0	0	112.2	L309 H322	L309-P320 WeakPolarHBondContact O-CA 3.49Å; P320-H322 PolarHBondContact O-N 3.14Å; P320-H322 VanDerWaalsContact O-N 3.12Å
321	V	86.8	Confident	74.3	Confident	25 Å²	25	74.2 Å²	74.2	15%	0.152	40%	0.403	C	S	.	.			trans	-75.7	102.8	-178.9	-176.1	0	0	0	0	110.3	L309 R311 I323 A415	L309-V321 HydrophobicContact CB-CB 4.38Å; L309-V321 HydrophobicContact CB-CG2 4.29Å; L309-V321 WeakPolarHBondContact O-CG2 3.44Å; L309-V321 PolarHBondContact O-N 2.85Å; R311-V321 HydrophobicContact CB-CG2 3.93Å; R311-V321 HydrophobicContact CG-CG2 4.14Å; V321-I323 HydrophobicContact CG1-CD1 4.09Å; V321-I323 HydrophobicContact CG1-CG1 3.79Å; V321-A415 HydrophobicContact CG1-CB 4.29Å; V321-A415 HydrophobicContact CG2-CB 4.09Å
322	H	84	Confident	72.4	Confident	109 Å²	109	75.2 Å²	75.2	51%	0.505	42%	0.417	S	S	.	.			trans	-72.4	131.2	168.5	-172	71.6	0	0	0	110.2	P320 R324 L371	P320-H322 PolarHBondContact O-N 3.14Å; P320-H322 VanDerWaalsContact O-N 3.12Å; H322-R324 WeakPolarHBondContact NE2-CG 3.41Å; H322-L371 HydrophobicContact CB-CD1 3.79Å
323	I	81.1	Confident	70.7	Confident	37 Å²	37	78.3 Å²	78.3	19%	0.19	43%	0.434	C	S	.	.			trans	-133	98.5	178.2	-48.7	-176.7	0	0	0	109	V321 L326 A408 C411 K412	V321-I323 HydrophobicContact CG1-CD1 4.09Å; V321-I323 HydrophobicContact CG1-CG1 3.79Å; I323-L326 HydrophobicContact CB-CB 4.38Å; I323-L326 HydrophobicContact CG2-CB 3.93Å; I323-L326 HydrophobicContact CG2-CD1 4.46Å; I323-A408 HydrophobicContact CG2-CB 3.67Å; I323-C411 HydrophobicContact CD1-CB 4.46Å; I323-K412 HydrophobicContact CD1-CB 3.76Å; I323-K412 HydrophobicContact CD1-CG 4.47Å
324	R	73.6	Confident	69.1	Low	78 Å²	78	83.9 Å²	83.9	29%	0.294	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	148.8	169.7	-64	-174.6	-179	163.9	6.8	110.2	H322 L326 D368 A408	H322-R324 WeakPolarHBondContact NE2-CG 3.41Å; R324-L326 PolarHBondContact O-N 3.33Å; R324-D368 IonicContact CZ-OD1 3.91Å; R324-D368 IonicContact CZ-OD2 2.7Å; R324-D368 IonicContact NE-OD1 3.78Å; R324-D368 IonicContact NH1-OD1 2.66Å; R324-D368 IonicContact NH1-OD2 3.13Å; R324-D368 PolarHBondContact NH1-OD2 3.42Å; R324-D368 IonicContact NH2-OD1 2.67Å; R324-D368 PolarHBondContact NH2-OD1 3.44Å; R324-D368 IonicContact NH2-OD2 2.7Å; R324-D368 PolarHBondContact NH2-OD2 2.89Å; R324-A408 WeakPolarHBondContact O-CB 3.42Å
325	N	68	Low	67.6	Low	107 Å²	107	88.4 Å²	88.4	57%	0.572	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	27.7	171.4	-57.2	-26.1	0	0	0	115.3	P327	N325-P327 WeakPolarHBondContact O-CD 3.2Å
326	L	67.6	Low	66.2	Low	63 Å²	63	88.1 Å²	88.1	33%	0.33	48%	0.482	S	S	.	.			trans	-68.7	122.3	171	179.3	67.6	0	0	0	109.7	I323 R324 K412	I323-L326 HydrophobicContact CB-CB 4.38Å; I323-L326 HydrophobicContact CG2-CB 3.93Å; I323-L326 HydrophobicContact CG2-CD1 4.46Å; R324-L326 PolarHBondContact O-N 3.33Å; L326-K412 HydrophobicContact CD1-CB 4.27Å; L326-K412 HydrophobicContact CD1-CD 3.61Å; L326-K412 HydrophobicContact CD2-CD 3.89Å; L326-K412 HydrophobicContact CG-CD 4.39Å
327	P	62.1	Low	65.2	Low	45 Å²	45	91.6 Å²	91.6	29%	0.292	50%	0.499	S	S	.	.			trans	-62	140.9	178.4	-24.6	34.9	0	0	0	112.8	N325 E405 I409	N325-P327 WeakPolarHBondContact O-CD 3.2Å; P327-E405 HydrophobicContact CG-CG 3.65Å; P327-I409 HydrophobicContact CG-CD1 4.35Å; P327-I409 HydrophobicContact CG-CG1 4.49Å
328	G	58.5	Low	64.3	Low	59 Å²	59	94.1 Å²	94.1	61%	0.608	51%	0.509	S	S	*	.			trans	-61.4	177.7	151.8	0	0	0	0	0	110.8	S330	G328-S330 PolarHBondContact O-N 3.15Å
329	T	50	Low	63.4	Low	147 Å²	147	100.1 Å²	100.1	90%	0.902	53%	0.528	S	S	*	.	S	Bend	trans	-68.1	4.5	-174.3	41.5	0	0	0	0	115.6	H331	T329-H331 PolarHBondContact O-N 3.24Å
330	S	43.7	Very low	62.8	Low	88 Å²	88	100 Å²	100	62%	0.615	53%	0.526	S	S	*	.			trans	-75.9	110.2	174.4	-61.9	0	0	0	0	111.9	G328 T332	G328-S330 PolarHBondContact O-N 3.15Å; S330-T332 VanDerWaalsContact C-N 3.28Å; S330-T332 PolarHBondContact O-N 3.27Å
331	H	42.8	Very low	62.4	Low	163 Å²	163	103.3 Å²	103.3	76%	0.755	53%	0.532	S	S	*	.			trans	-72.6	73.7	171.2	-82.8	-66.1	0	0	0	112.6	T329 N333	T329-H331 PolarHBondContact O-N 3.24Å; H331-N333 PolarHBondContact O-N 2.87Å; H331-N333 VanDerWaalsContact O-N 3.12Å
332	T	46.1	Very low	62.1	Low	89 Å²	89	103.7 Å²	103.7	55%	0.546	54%	0.535	S	S	.	.			trans	-66.5	105.7	169.5	41.4	0	0	0	0	110.2	S330 D334	S330-T332 VanDerWaalsContact C-N 3.28Å; S330-T332 PolarHBondContact O-N 3.27Å; T332-D334 PolarHBondContact O-N 3.47Å
333	N	48.2	Very low	62.2	Low	107 Å²	107	102.4 Å²	102.4	57%	0.572	53%	0.529	S	S	*	.			trans	-82.6	27.4	-167.5	-113	-85.6	0	0	0	114.6	H331 K335	H331-N333 PolarHBondContact O-N 2.87Å; H331-N333 VanDerWaalsContact O-N 3.12Å; N333-K335 WeakPolarHBondContact O-CG 3.42Å; N333-K335 PolarHBondContact O-N 3.29Å; N333-K335 WeakPolarHBondContact OD1-CE 3.36Å; N333-K335 PolarHBondContact OD1-NZ 2.62Å
334	D	50.6	Low	62.5	Low	132 Å²	132	103.4 Å²	103.4	71%	0.706	54%	0.535	S	S	*	.			trans	-77.1	88.7	-169.6	-93.9	-59.4	0	0	0	113.4	T332 N336	T332-D334 PolarHBondContact O-N 3.47Å; D334-N336 PolarHBondContact O-N 3.2Å
335	K	51.1	Low	63.1	Low	168 Å²	168	105.8 Å²	105.8	73%	0.73	56%	0.564	S	S	*	*			trans	-75.3	17.9	-171.9	-73.6	155.1	-172.4	161.3	0	115.1	N333 L337	N333-K335 WeakPolarHBondContact O-CG 3.42Å; N333-K335 PolarHBondContact O-N 3.29Å; N333-K335 WeakPolarHBondContact OD1-CE 3.36Å; N333-K335 PolarHBondContact OD1-NZ 2.62Å; K335-L337 PolarHBondContact O-N 3.36Å
336	N	50.4	Low	64	Low	126 Å²	126	106 Å²	106	67%	0.674	57%	0.569	S	S	*	*			trans	-97.4	94	-175.3	-74	-39.1	0	0	0	112.2	D334 Q338	D334-N336 PolarHBondContact O-N 3.2Å; N336-Q338 VanDerWaalsContact C-N 3.29Å; N336-Q338 PolarHBondContact O-N 3.05Å
337	L	57.9	Low	64.8	Low	78 Å²	78	105.5 Å²	105.5	41%	0.408	58%	0.579	S	S	.	*			trans	-65.5	82.3	168.7	-77.3	160.5	0	0	0	110.8	K335 V402 N403	K335-L337 PolarHBondContact O-N 3.36Å; L337-V402 WeakPolarHBondContact CD2-O 3.26Å; L337-N403 HydrophobicContact CD2-CB 4.17Å
338	Q	63.1	Low	65.9	Low	144 Å²	144	110.3 Å²	110.3	67%	0.673	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-65.6	144.6	176.5	-61.2	-169.5	12.1	0	0	111.1	N336 V402	N336-Q338 VanDerWaalsContact C-N 3.29Å; N336-Q338 PolarHBondContact O-N 3.05Å; Q338-V402 PolarHBondContact O-N 2.87Å
339	R	67.9	Low	67.1	Low	211 Å²	211	110.9 Å²	110.9	80%	0.796	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-82.4	130.3	162.8	-62.5	-175.8	179.3	-173	-1.6	107.1
340	F	75.3	Confident	68.9	Low	33 Å²	33	109 Å²	109	15%	0.145	57%	0.565	C	S	.	*	P	Polyproline II helix	trans	-72.4	166.2	168.2	62.5	-88.6	0	0	0	110.4	S342 A351 F353 P354 N357 K399 V402	F340-S342 PolarHBondContact O-N 3.12Å; F340-S342 VanDerWaalsContact O-N 3.16Å; F340-A351 HydrophobicContact CE2-CB 4.19Å; F340-F353 VanDerWaalsContact CE2-O 3.29Å; F340-F353 WeakPolarHBondContact CE2-O 3.46Å; F340-P354 HydrophobicContact CD1-CB 4.04Å; F340-P354 HydrophobicContact CD1-CG 3.71Å; F340-P354 HydrophobicContact CE1-CB 4.33Å; F340-P354 HydrophobicContact CE1-CG 3.62Å; F340-P354 HydrophobicContact CZ-CG 4.48Å; F340-N357 WeakPolarHBondContact CD2-ND2 3.41Å; F340-K399 WeakPolarHBondContact CE1-O 3.37Å; F340-K399 VanDerWaalsContact CZ-O 3.23Å; F340-K399 WeakPolarHBondContact CZ-O 3.43Å; F340-V402 HydrophobicContact CB-CG2 3.82Å; F340-V402 HydrophobicContact CD1-CG2 3.89Å; F340-V402 HydrophobicContact CG-CG2 4.35Å
341	K	80.8	Confident	70.7	Confident	161 Å²	161	104.8 Å²	104.8	70%	0.7	54%	0.536	S	S	*	.			trans	-76.4	99.1	173.6	-62	178	-176.3	176.5	0	108.4	N357	K341-N357 PolarHBondContact O-ND2 2.77Å; K341-N357 VanDerWaalsContact O-ND2 3.16Å; K341-N357 PolarHBondContact O-OD1 2.94Å
342	S	81.8	Confident	72.4	Confident	33 Å²	33	102.4 Å²	102.4	23%	0.231	52%	0.523	C	S	.	.			trans	-85.7	-24.9	172.3	47.7	0	0	0	0	112.5	F340 R349 I350 A351	F340-S342 PolarHBondContact O-N 3.12Å; F340-S342 VanDerWaalsContact O-N 3.16Å; S342-R349 CarbonylContact O-C 3.55Å; S342-R349 WeakPolarHBondContact O-CA 3.48Å; S342-R349 WeakPolarHBondContact O-CG 3.34Å; S342-I350 PolarHBondContact O-N 2.82Å; S342-A351 WeakPolarHBondContact CB-O 3.41Å; S342-A351 PolarHBondContact O-N 3.27Å; S342-A351 VanDerWaalsContact O-N 3.1Å
343	H	85.6	Confident	74	Confident	81 Å²	81	101.9 Å²	101.9	38%	0.375	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-127.8	155.8	-179.4	-54.6	71.5	0	0	0	109.7	G347 Q348	H343-G347 PolarHBondContact CD2-O 3.16Å; H343-Q348 CarbonylContact C-O 3.46Å; H343-Q348 WeakPolarHBondContact CA-O 2.76Å; H343-Q348 WeakPolarHBondContact CB-O 3.44Å
344	D	86.6	Confident	75.3	Confident	59 Å²	59	97.6 Å²	97.6	32%	0.316	49%	0.492	S	S	.	.			trans	-82.5	-163.8	177.3	82.4	-32.3	0	0	0	112	T346 G347 Q348 I350	D344-T346 PolarHBondContact OD1-N 2.81Å; D344-T346 PolarHBondContact OD1-OG1 3.36Å; D344-T346 WeakPolarHBondContact OD2-CB 3.24Å; D344-T346 VanDerWaalsContact OD2-CG2 3.3Å; D344-T346 WeakPolarHBondContact OD2-CG2 3.15Å; D344-T346 PolarHBondContact OD2-N 2.98Å; D344-T346 PolarHBondContact OD2-OG1 2.71Å; D344-G347 PolarHBondContact OD1-N 3.19Å; D344-Q348 PolarHBondContact N-O 3.33Å; D344-Q348 PolarHBondContact OD1-N 2.97Å; D344-I350 HydrophobicContact CB-CD1 3.72Å; D344-I350 HydrophobicContact CB-CG1 3.87Å
345	S	87.1	Confident	76.4	Confident	127 Å²	127	95.3 Å²	95.3	89%	0.888	48%	0.477	S	S	*	.	S	Bend	trans	-81.5	-13.1	173.5	47.1	0	0	0	0	114.9
346	T	87.3	Confident	77.6	Confident	112 Å²	112	91.2 Å²	91.2	69%	0.687	46%	0.463	S	S	*	.	S	Bend	trans	-89.4	-22	175.7	69.8	0	0	0	0	112.8	D344	D344-T346 PolarHBondContact OD1-N 2.81Å; D344-T346 PolarHBondContact OD1-OG1 3.36Å; D344-T346 WeakPolarHBondContact OD2-CB 3.24Å; D344-T346 VanDerWaalsContact OD2-CG2 3.3Å; D344-T346 WeakPolarHBondContact OD2-CG2 3.15Å; D344-T346 PolarHBondContact OD2-N 2.98Å; D344-T346 PolarHBondContact OD2-OG1 2.71Å
347	G	83.4	Confident	78.5	Confident	53 Å²	53	88.6 Å²	88.6	55%	0.546	45%	0.449	S	S	.	.	S	Bend	trans	107.3	-2.3	-175.3	0	0	0	0	0	113.7	H343 D344	H343-G347 PolarHBondContact CD2-O 3.16Å; D344-G347 PolarHBondContact OD1-N 3.19Å
348	Q	86.5	Confident	79	Confident	145 Å²	145	89.1 Å²	89.1	68%	0.678	45%	0.449	S	S	*	.			trans	-72.4	138.1	174.6	-170.1	171.7	7.6	0	0	110.6	H343 D344 I350	H343-Q348 CarbonylContact C-O 3.46Å; H343-Q348 WeakPolarHBondContact CA-O 2.76Å; H343-Q348 WeakPolarHBondContact CB-O 3.44Å; D344-Q348 PolarHBondContact N-O 3.33Å; D344-Q348 PolarHBondContact OD1-N 2.97Å; Q348-I350 PolarHBondContact O-N 3.38Å
349	R	83.7	Confident	79.3	Confident	72 Å²	72	90.5 Å²	90.5	27%	0.272	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-72.9	124.7	175.3	-179.8	173.9	-76.4	-107.5	21.2	110.3	S342 A351 F352 D395	S342-R349 CarbonylContact O-C 3.55Å; S342-R349 WeakPolarHBondContact O-CA 3.48Å; S342-R349 WeakPolarHBondContact O-CG 3.34Å; R349-A351 WeakPolarHBondContact CG-O 3.38Å; R349-A351 PolarHBondContact NH1-O 3.34Å; R349-F352 VanDerWaalsContact CD-CZ 3.48Å; R349-F352 HydrophobicContact CG-CE2 4.49Å; R349-D395 IonicContact NH2-OD1 3.12Å
350	I	86.2	Confident	79.5	Confident	106 Å²	106	83.2 Å²	83.2	54%	0.544	44%	0.436	S	S	.	.			trans	-91.9	-39.2	171.2	-44.8	170.2	0	0	0	110.3	S342 D344 Q348	S342-I350 PolarHBondContact O-N 2.82Å; D344-I350 HydrophobicContact CB-CD1 3.72Å; D344-I350 HydrophobicContact CB-CG1 3.87Å; Q348-I350 PolarHBondContact O-N 3.38Å
351	A	82.8	Confident	79.9	Confident	1 Å²	1	88 Å²	88	1%	0.008	46%	0.459	C	S	.	.			trans	-141	147.1	-167.2	0	0	0	0	0	113.3	F340 S342 R349 D356 N357	F340-A351 HydrophobicContact CE2-CB 4.19Å; S342-A351 WeakPolarHBondContact CB-O 3.41Å; S342-A351 PolarHBondContact O-N 3.27Å; S342-A351 VanDerWaalsContact O-N 3.1Å; R349-A351 WeakPolarHBondContact CG-O 3.38Å; R349-A351 PolarHBondContact NH1-O 3.34Å; A351-D356 HydrophobicContact CB-CB 3.89Å; A351-N357 WeakPolarHBondContact CB-ND2 3.48Å
352	F	78.9	Confident	80.2	Confident	112 Å²	112	85.2 Å²	85.2	49%	0.491	46%	0.455	S	S	.	.	S	Bend	trans	-99.4	-34.9	172.3	-70.5	-89.9	0	0	0	112.2	R349 D356 V398	R349-F352 VanDerWaalsContact CD-CZ 3.48Å; R349-F352 HydrophobicContact CG-CE2 4.49Å; F352-D356 WeakPolarHBondContact CA-OD2 3.49Å; F352-D356 PolarHBondContact N-OD2 2.83Å; F352-V398 HydrophobicContact CD1-CG2 4.47Å; F352-V398 WeakPolarHBondContact O-CG1 3.49Å
353	F	79	Confident	80.6	Confident	79 Å²	79	86 Å²	86	35%	0.346	46%	0.464	S	S	.	.	S	Bend	trans	-123.3	165.6	-179.5	-56	-75.6	0	0	0	112.2	F340 E355 D356 K399	F340-F353 VanDerWaalsContact CE2-O 3.29Å; F340-F353 WeakPolarHBondContact CE2-O 3.46Å; F353-E355 PolarHBondContact O-N 2.91Å; F353-D356 WeakPolarHBondContact CB-OD1 3.47Å; F353-D356 PolarHBondContact N-OD2 3.38Å; F353-K399 HydrophobicContact CD1-CB 4.22Å; F353-K399 HydrophobicContact CD1-CD 4.18Å; F353-K399 HydrophobicContact CD1-CG 3.94Å; F353-K399 HydrophobicContact CE1-CG 4.37Å
354	P	75.5	Confident	80.7	Confident	17 Å²	17	83.9 Å²	83.9	11%	0.11	46%	0.455	C	S	.	.	S	Bend	trans	-59	-34.6	172.6	-22.5	33.4	0	0	0	112.5	F340 N357 K399 V402	F340-P354 HydrophobicContact CD1-CB 4.04Å; F340-P354 HydrophobicContact CD1-CG 3.71Å; F340-P354 HydrophobicContact CE1-CB 4.33Å; F340-P354 HydrophobicContact CE1-CG 3.62Å; F340-P354 HydrophobicContact CZ-CG 4.48Å; P354-N357 PolarHBondContact O-N 2.95Å; P354-K399 HydrophobicContact CG-CD 4.42Å; P354-V402 HydrophobicContact CB-CG1 4.22Å; P354-V402 HydrophobicContact CB-CG2 4.05Å; P354-V402 HydrophobicContact CG-CG2 4.26Å
355	E	73.5	Confident	80.6	Confident	84 Å²	84	86.7 Å²	86.7	39%	0.393	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-71.3	-32.1	-170.5	-67.7	145.3	-108	0	0	111.3	F353 N357 E358 K399	F353-E355 PolarHBondContact O-N 2.91Å; E355-N357 PolarHBondContact O-N 3.14Å; E355-N357 VanDerWaalsContact O-N 3.13Å; E355-E358 WeakPolarHBondContact O-CB 3.48Å; E355-E358 PolarHBondContact O-N 2.92Å; E355-K399 IonicContact OE1-NZ 3.38Å; E355-K399 PolarHBondContact OE1-NZ 3.22Å
356	D	76.6	Confident	80.7	Confident	82 Å²	82	84.8 Å²	84.8	44%	0.439	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-62.8	-17.9	174.3	-35.1	-14.9	0	0	0	114	A351 F352 F353	A351-D356 HydrophobicContact CB-CB 3.89Å; F352-D356 WeakPolarHBondContact CA-OD2 3.49Å; F352-D356 PolarHBondContact N-OD2 2.83Å; F353-D356 WeakPolarHBondContact CB-OD1 3.47Å; F353-D356 PolarHBondContact N-OD2 3.38Å
357	N	68.7	Low	80.7	Confident	70 Å²	70	85 Å²	85	37%	0.374	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-89.9	-6.1	175.4	-76.9	-91.8	0	0	0	112.8	F340 K341 A351 P354 E355	F340-N357 WeakPolarHBondContact CD2-ND2 3.41Å; K341-N357 PolarHBondContact O-ND2 2.77Å; K341-N357 VanDerWaalsContact O-ND2 3.16Å; K341-N357 PolarHBondContact O-OD1 2.94Å; A351-N357 WeakPolarHBondContact CB-ND2 3.48Å; P354-N357 PolarHBondContact O-N 2.95Å; E355-N357 PolarHBondContact O-N 3.14Å; E355-N357 VanDerWaalsContact O-N 3.13Å
358	E	69.7	Low	80.6	Confident	90 Å²	90	84.7 Å²	84.7	42%	0.421	42%	0.421	S	S	.	.	S	Bend	trans	-86.5	144.4	173.3	-59.8	179.4	159.5	0	0	109.1	E355 Q360	E355-E358 WeakPolarHBondContact O-CB 3.48Å; E355-E358 PolarHBondContact O-N 2.92Å; E358-Q360 HydrophobicContact CB-CG 3.85Å; E358-Q360 PolarHBondContact O-N 2.86Å; E358-Q360 PolarHBondContact OE2-NE2 2.85Å
359	N	68.8	Low	80.6	Confident	172 Å²	172	84.5 Å²	84.5	92%	0.92	42%	0.42	S	S	*	.			trans	-75.5	55.7	177	-69	-12.5	0	0	0	111.4
360	Q	72.2	Confident	80.6	Confident	59 Å²	59	90.2 Å²	90.2	28%	0.276	44%	0.441	S	S	.	.			trans	-68.4	133.5	179.5	-56.8	-169.8	-0.8	0	0	109.9	E358 D364	E358-Q360 HydrophobicContact CB-CG 3.85Å; E358-Q360 PolarHBondContact O-N 2.86Å; E358-Q360 PolarHBondContact OE2-NE2 2.85Å; Q360-D364 HydrophobicContact CB-CB 4.46Å
361	Q	83.9	Confident	80.5	Confident	133 Å²	133	87.3 Å²	87.3	62%	0.621	43%	0.427	S	S	*	.			trans	-78.6	155.4	175.2	-56	-175.4	3.2	0	0	109.5	A363 D364 M365	Q361-A363 PolarHBondContact O-N 2.93Å; Q361-A363 VanDerWaalsContact O-N 3.08Å; Q361-D364 WeakPolarHBondContact CB-OD2 3.45Å; Q361-D364 PolarHBondContact N-OD2 3.25Å; Q361-D364 WeakPolarHBondContact O-CA 3.43Å; Q361-D364 WeakPolarHBondContact O-CB 3.44Å; Q361-D364 PolarHBondContact O-N 2.94Å; Q361-M365 PolarHBondContact O-N 3.25Å; Q361-M365 VanDerWaalsContact O-N 3.15Å
362	V	87.5	Confident	80.5	Confident	103 Å²	103	90.2 Å²	90.2	62%	0.624	44%	0.44	S	S	*	.	H	α-helix	trans	-55.9	-30.1	173.3	-173.7	0	0	0	0	111.2	M365 I366	V362-M365 PolarHBondContact O-N 3.45Å; V362-I366 HydrophobicContact CG1-CD1 3.99Å; V362-I366 HydrophobicContact CG1-CG1 4.46Å; V362-I366 VanDerWaalsContact O-CG1 3.28Å; V362-I366 WeakPolarHBondContact O-CG1 3Å; V362-I366 PolarHBondContact O-N 2.88Å
363	A	89.9	Confident	80.6	Confident	50 Å²	50	85 Å²	85	41%	0.413	42%	0.417	S	S	.	.	H	α-helix	trans	-70.1	-25.1	173.5	0	0	0	0	0	114.6	Q361 R367	Q361-A363 PolarHBondContact O-N 2.93Å; Q361-A363 VanDerWaalsContact O-N 3.08Å; A363-R367 WeakPolarHBondContact O-CG 3.23Å; A363-R367 VanDerWaalsContact O-CZ 3.29Å; A363-R367 PolarHBondContact O-N 2.95Å; A363-R367 PolarHBondContact O-NE 2.88Å; A363-R367 PolarHBondContact O-NH2 2.92Å
364	D	86.1	Confident	80.8	Confident	35 Å²	35	83.6 Å²	83.6	19%	0.187	42%	0.421	C	S	.	.	H	α-helix	trans	-74.3	-45.8	170.1	-63.8	-62.9	0	0	0	110.4	Q360 Q361 I366 R367 D368	Q360-D364 HydrophobicContact CB-CB 4.46Å; Q361-D364 WeakPolarHBondContact CB-OD2 3.45Å; Q361-D364 PolarHBondContact N-OD2 3.25Å; Q361-D364 WeakPolarHBondContact O-CA 3.43Å; Q361-D364 WeakPolarHBondContact O-CB 3.44Å; Q361-D364 PolarHBondContact O-N 2.94Å; D364-I366 PolarHBondContact O-N 2.71Å; D364-R367 CarbonylContact O-C 3.59Å; D364-R367 WeakPolarHBondContact O-CA 3.41Å; D364-R367 WeakPolarHBondContact O-CB 3.34Å; D364-R367 PolarHBondContact O-N 3.37Å; D364-R367 IonicContact OD1-CZ 3.68Å; D364-R367 IonicContact OD1-NH1 3.9Å; D364-R367 PolarHBondContact OD1-NH1 3.49Å; D364-R367 IonicContact OD1-NH2 2.74Å; D364-R367 PolarHBondContact OD1-NH2 3.45Å; D364-D368 PolarHBondContact O-N 3.17Å
365	M	85.3	Confident	81.1	Confident	119 Å²	119	85.6 Å²	85.6	59%	0.586	44%	0.435	S	S	*	.	H	α-helix	trans	-58.9	-45.8	177.6	-171.9	-171.2	-63.6	0	0	112.1	Q361 V362 R367 D368 E369	Q361-M365 PolarHBondContact O-N 3.25Å; Q361-M365 VanDerWaalsContact O-N 3.15Å; V362-M365 PolarHBondContact O-N 3.45Å; M365-R367 PolarHBondContact O-N 2.83Å; M365-D368 PolarHBondContact O-N 2.99Å; M365-E369 WeakPolarHBondContact O-CB 3.34Å; M365-E369 PolarHBondContact O-N 3.21Å
366	I	89.6	Confident	81.5	Confident	86 Å²	86	83.2 Å²	83.2	44%	0.441	43%	0.425	S	S	.	.	H	α-helix	trans	-62.8	-31.6	174.4	-68.6	165.2	0	0	0	111.8	V362 D364 R370	V362-I366 HydrophobicContact CG1-CD1 3.99Å; V362-I366 HydrophobicContact CG1-CG1 4.46Å; V362-I366 VanDerWaalsContact O-CG1 3.28Å; V362-I366 WeakPolarHBondContact O-CG1 3Å; V362-I366 PolarHBondContact O-N 2.88Å; D364-I366 PolarHBondContact O-N 2.71Å; I366-R370 WeakPolarHBondContact O-CB 3.42Å; I366-R370 WeakPolarHBondContact O-CD 3.37Å; I366-R370 VanDerWaalsContact O-CG 3.23Å; I366-R370 WeakPolarHBondContact O-CG 3.43Å; I366-R370 PolarHBondContact O-N 2.99Å
367	R	86.3	Confident	81.8	Confident	117 Å²	117	83.8 Å²	83.8	44%	0.442	43%	0.426	S	S	.	.	H	α-helix	trans	-71.4	-45.7	174.1	-84.8	-179.8	-85.4	113.4	-4.5	111.1	A363 D364 M365 R370 L371	A363-R367 WeakPolarHBondContact O-CG 3.23Å; A363-R367 VanDerWaalsContact O-CZ 3.29Å; A363-R367 PolarHBondContact O-N 2.95Å; A363-R367 PolarHBondContact O-NE 2.88Å; A363-R367 PolarHBondContact O-NH2 2.92Å; D364-R367 CarbonylContact O-C 3.59Å; D364-R367 WeakPolarHBondContact O-CA 3.41Å; D364-R367 WeakPolarHBondContact O-CB 3.34Å; D364-R367 PolarHBondContact O-N 3.37Å; D364-R367 IonicContact OD1-CZ 3.68Å; D364-R367 IonicContact OD1-NH1 3.9Å; D364-R367 PolarHBondContact OD1-NH1 3.49Å; D364-R367 IonicContact OD1-NH2 2.74Å; D364-R367 PolarHBondContact OD1-NH2 3.45Å; M365-R367 PolarHBondContact O-N 2.83Å; R367-R370 PolarHBondContact O-N 3.39Å; R367-L371 WeakPolarHBondContact O-CB 3.45Å; R367-L371 WeakPolarHBondContact O-CG 3.26Å; R367-L371 PolarHBondContact O-N 2.81Å
368	D	82.7	Confident	82.6	Confident	46 Å²	46	85.3 Å²	85.3	25%	0.246	43%	0.434	C	S	.	.	H	α-helix	trans	-63.3	-43.2	179.5	-64.1	-37	0	0	0	112	R324 D364 M365 R370 L371 H372	R324-D368 IonicContact CZ-OD1 3.91Å; R324-D368 IonicContact CZ-OD2 2.7Å; R324-D368 IonicContact NE-OD1 3.78Å; R324-D368 IonicContact NH1-OD1 2.66Å; R324-D368 IonicContact NH1-OD2 3.13Å; R324-D368 PolarHBondContact NH1-OD2 3.42Å; R324-D368 IonicContact NH2-OD1 2.67Å; R324-D368 PolarHBondContact NH2-OD1 3.44Å; R324-D368 IonicContact NH2-OD2 2.7Å; R324-D368 PolarHBondContact NH2-OD2 2.89Å; D364-D368 PolarHBondContact O-N 3.17Å; M365-D368 PolarHBondContact O-N 2.99Å; D368-R370 PolarHBondContact O-N 3.46Å; D368-L371 CarbonylContact O-C 3.56Å; D368-L371 WeakPolarHBondContact O-CB 3.26Å; D368-L371 PolarHBondContact O-N 3.48Å; D368-L371 VanDerWaalsContact O-N 3.14Å; D368-H372 PolarHBondContact O-N 2.75Å
369	E	85	Confident	83.3	Confident	142 Å²	142	84.4 Å²	84.4	66%	0.664	43%	0.432	S	S	*	.	H	α-helix	trans	-60.9	-45.6	176.3	-174.8	62.7	-167	0	0	111.8	M365 L371 H372	M365-E369 WeakPolarHBondContact O-CB 3.34Å; M365-E369 PolarHBondContact O-N 3.21Å; E369-L371 PolarHBondContact O-N 3.07Å; E369-H372 VanDerWaalsContact O-CB 3.3Å; E369-H372 WeakPolarHBondContact O-CB 3.39Å; E369-H372 PolarHBondContact O-N 2.98Å; E369-H372 VanDerWaalsContact O-N 3.11Å
370	R	85.4	Confident	83.8	Confident	192 Å²	192	79 Å²	79	73%	0.725	40%	0.401	S	S	*	.	H	α-helix	trans	-66.2	-25	175.4	-75.1	176.1	176.2	-156.6	0.1	114	I366 R367 D368	I366-R370 WeakPolarHBondContact O-CB 3.42Å; I366-R370 WeakPolarHBondContact O-CD 3.37Å; I366-R370 VanDerWaalsContact O-CG 3.23Å; I366-R370 WeakPolarHBondContact O-CG 3.43Å; I366-R370 PolarHBondContact O-N 2.99Å; R367-R370 PolarHBondContact O-N 3.39Å; D368-R370 PolarHBondContact O-N 3.46Å
371	L	83.7	Confident	84.3	Confident	44 Å²	44	81 Å²	81	23%	0.23	41%	0.409	C	S	.	.	H	α-helix	trans	-82	-26.2	173.6	-70.9	173.9	0	0	0	111.8	R311 I319 H322 R367 D368 E369	R311-L371 PolarHBondContact NE-O 3.02Å; R311-L371 PolarHBondContact NH2-O 3.03Å; I319-L371 HydrophobicContact CG2-CD2 3.56Å; H322-L371 HydrophobicContact CB-CD1 3.79Å; R367-L371 WeakPolarHBondContact O-CB 3.45Å; R367-L371 WeakPolarHBondContact O-CG 3.26Å; R367-L371 PolarHBondContact O-N 2.81Å; D368-L371 CarbonylContact O-C 3.56Å; D368-L371 WeakPolarHBondContact O-CB 3.26Å; D368-L371 PolarHBondContact O-N 3.48Å; D368-L371 VanDerWaalsContact O-N 3.14Å; E369-L371 PolarHBondContact O-N 3.07Å
372	H	82.1	Confident	84.3	Confident	62 Å²	62	78 Å²	78	29%	0.287	40%	0.403	S	S	.	.			trans	-62.2	163.2	-177.6	-146.6	86	0	0	0	112.1	D368 E369 D376 M377	D368-H372 PolarHBondContact O-N 2.75Å; E369-H372 VanDerWaalsContact O-CB 3.3Å; E369-H372 WeakPolarHBondContact O-CB 3.39Å; E369-H372 PolarHBondContact O-N 2.98Å; E369-H372 VanDerWaalsContact O-N 3.11Å; H372-D376 IonicContact ND1-OD2 2.68Å; H372-M377 WeakPolarHBondContact NE2-CG 3.43Å
373	S	81.7	Confident	84	Confident	2 Å²	2	76.9 Å²	76.9	1%	0.014	39%	0.388	C	S	.	.			trans	-147	144.3	178.5	171.1	0	0	0	0	108	D314 S375 D376	D314-S373 PolarHBondContact OD1-OG 2.8Å; D314-S373 VanDerWaalsContact OD2-CA 3.31Å; D314-S373 WeakPolarHBondContact OD2-CA 3.31Å; S373-S375 WeakPolarHBondContact CB-OG 3.2Å; S373-S375 PolarHBondContact O-N 3.03Å; S373-S375 PolarHBondContact OG-N 2.65Å; S373-S375 PolarHBondContact OG-OG 2.91Å; S373-D376 WeakPolarHBondContact O-CB 3.16Å; S373-D376 PolarHBondContact O-N 3.13Å
374	A	83.1	Confident	83.3	Confident	51 Å²	51	75.5 Å²	75.5	42%	0.421	37%	0.373	S	S	.	.	H	α-helix	trans	-51.5	-31.7	174.6	0	0	0	0	0	112.3	D314 D376 M377 D378	D314-A374 PolarHBondContact OD1-N 2.87Å; D314-A374 PolarHBondContact OD2-N 3.01Å; A374-D376 VanDerWaalsContact C-N 3.26Å; A374-D376 PolarHBondContact O-N 3.02Å; A374-M377 WeakPolarHBondContact O-CB 3.38Å; A374-M377 PolarHBondContact O-N 3.36Å; A374-M377 VanDerWaalsContact O-N 3.14Å; A374-D378 PolarHBondContact O-N 2.9Å
375	S	80.9	Confident	83.1	Confident	59 Å²	59	78 Å²	78	41%	0.413	40%	0.398	S	S	.	.	H	α-helix	trans	-62.6	-24.7	174.2	65.2	0	0	0	0	114.9	S373 L379	S373-S375 WeakPolarHBondContact CB-OG 3.2Å; S373-S375 PolarHBondContact O-N 3.03Å; S373-S375 PolarHBondContact OG-N 2.65Å; S373-S375 PolarHBondContact OG-OG 2.91Å; S375-L379 WeakPolarHBondContact O-CB 3.48Å; S375-L379 PolarHBondContact O-N 3.18Å
376	D	82.1	Confident	82.6	Confident	34 Å²	34	82.8 Å²	82.8	18%	0.182	41%	0.41	C	S	.	.	H	α-helix	trans	-73.1	-44.7	172.8	-72.3	-23.1	0	0	0	110	R311 H372 S373 A374 L379 E380	R311-D376 IonicContact CZ-OD2 3.8Å; R311-D376 VanDerWaalsContact NH1-CG 3.25Å; R311-D376 IonicContact NH1-OD1 2.59Å; R311-D376 PolarHBondContact NH1-OD1 2.92Å; R311-D376 IonicContact NH1-OD2 3.71Å; R311-D376 PolarHBondContact NH1-OD2 2.57Å; R311-D376 IonicContact NH2-OD2 2.72Å; R311-D376 PolarHBondContact NH2-OD2 3.08Å; H372-D376 IonicContact ND1-OD2 2.68Å; S373-D376 WeakPolarHBondContact O-CB 3.16Å; S373-D376 PolarHBondContact O-N 3.13Å; A374-D376 VanDerWaalsContact C-N 3.26Å; A374-D376 PolarHBondContact O-N 3.02Å; D376-L379 CarbonylContact O-C 3.56Å; D376-L379 WeakPolarHBondContact O-CA 3.05Å; D376-L379 WeakPolarHBondContact O-CB 3.37Å; D376-L379 PolarHBondContact O-N 3.08Å; D376-L379 VanDerWaalsContact O-N 3.12Å; D376-E380 WeakPolarHBondContact O-CG 3.48Å; D376-E380 PolarHBondContact O-N 3.27Å
377	M	82.8	Confident	81.8	Confident	93 Å²	93	83.4 Å²	83.4	46%	0.458	41%	0.409	S	S	.	.	H	α-helix	trans	-59.3	-50.9	175	-68	-64	-77.3	0	0	111.6	H372 A374 L379 E380 F381	H372-M377 WeakPolarHBondContact NE2-CG 3.43Å; A374-M377 WeakPolarHBondContact O-CB 3.38Å; A374-M377 PolarHBondContact O-N 3.36Å; A374-M377 VanDerWaalsContact O-N 3.14Å; M377-L379 PolarHBondContact O-N 3.22Å; M377-L379 VanDerWaalsContact O-N 3.12Å; M377-E380 CarbonylContact O-C 3.56Å; M377-E380 WeakPolarHBondContact O-CA 3.27Å; M377-E380 VanDerWaalsContact O-CB 3.28Å; M377-E380 WeakPolarHBondContact O-CB 3.35Å; M377-E380 PolarHBondContact O-N 2.87Å; M377-F381 HydrophobicContact CB-CE2 4.41Å; M377-F381 HydrophobicContact CE-CE2 4.48Å; M377-F381 WeakPolarHBondContact O-CD2 3.14Å; M377-F381 PolarHBondContact O-N 3.48Å
378	D	86	Confident	80.8	Confident	103 Å²	103	82.8 Å²	82.8	55%	0.551	42%	0.423	S	S	*	.	H	α-helix	trans	-52.5	-37.2	173.8	-74	-29.2	0	0	0	112.1	A374 S382	A374-D378 PolarHBondContact O-N 2.9Å; D378-S382 WeakPolarHBondContact O-CB 3.41Å; D378-S382 PolarHBondContact O-N 2.89Å; D378-S382 PolarHBondContact O-OG 3.33Å
379	L	83.5	Confident	79.7	Confident	71 Å²	71	82.6 Å²	82.6	37%	0.372	42%	0.423	S	S	.	.	H	α-helix	trans	-82	-15.8	180	-162.6	142.5	0	0	0	112.5	S375 D376 M377 R383	S375-L379 WeakPolarHBondContact O-CB 3.48Å; S375-L379 PolarHBondContact O-N 3.18Å; D376-L379 CarbonylContact O-C 3.56Å; D376-L379 WeakPolarHBondContact O-CA 3.05Å; D376-L379 WeakPolarHBondContact O-CB 3.37Å; D376-L379 PolarHBondContact O-N 3.08Å; D376-L379 VanDerWaalsContact O-N 3.12Å; M377-L379 PolarHBondContact O-N 3.22Å; M377-L379 VanDerWaalsContact O-N 3.12Å; L379-R383 WeakPolarHBondContact O-CD 3.02Å; L379-R383 WeakPolarHBondContact O-CG 3.39Å; L379-R383 PolarHBondContact O-NE 3.07Å
380	E	79.3	Confident	78.4	Confident	57 Å²	57	84.4 Å²	84.4	27%	0.266	43%	0.432	S	S	.	.	H	α-helix	trans	-74.3	-54.2	162	-62.7	-87.4	135.5	0	0	110.1	D376 M377 S382 R383 L384	D376-E380 WeakPolarHBondContact O-CG 3.48Å; D376-E380 PolarHBondContact O-N 3.27Å; M377-E380 CarbonylContact O-C 3.56Å; M377-E380 WeakPolarHBondContact O-CA 3.27Å; M377-E380 VanDerWaalsContact O-CB 3.28Å; M377-E380 WeakPolarHBondContact O-CB 3.35Å; M377-E380 PolarHBondContact O-N 2.87Å; E380-S382 PolarHBondContact O-N 3.33Å; E380-R383 WeakPolarHBondContact O-CA 3.4Å; E380-R383 WeakPolarHBondContact O-CB 3.45Å; E380-R383 PolarHBondContact O-N 2.68Å; E380-R383 IonicContact OE1-CZ 2.67Å; E380-R383 IonicContact OE1-NH1 3.21Å; E380-R383 PolarHBondContact OE1-NH1 3.46Å; E380-R383 IonicContact OE1-NH2 2.77Å; E380-R383 PolarHBondContact OE1-NH2 2.77Å; E380-R383 IonicContact OE2-NH1 3.03Å; E380-L384 WeakPolarHBondContact O-CG 3.1Å; E380-L384 PolarHBondContact O-N 3.19Å; E380-L384 VanDerWaalsContact O-N 3.07Å
381	F	83	Confident	77.2	Confident	102 Å²	102	81 Å²	81	45%	0.447	43%	0.428	S	S	.	.	H	α-helix	trans	-52.4	-43.7	174.6	-71.5	-79.4	0	0	0	111.3	M377 R383 L384 A385 F397	M377-F381 HydrophobicContact CB-CE2 4.41Å; M377-F381 HydrophobicContact CE-CE2 4.48Å; M377-F381 WeakPolarHBondContact O-CD2 3.14Å; M377-F381 PolarHBondContact O-N 3.48Å; F381-R383 VanDerWaalsContact C-N 3.26Å; F381-R383 PolarHBondContact O-N 3.47Å; F381-L384 WeakPolarHBondContact O-CB 3.47Å; F381-L384 PolarHBondContact O-N 2.85Å; F381-A385 PolarHBondContact O-N 3.29Å; F381-F397 AromaticContact CD1-CE1 3.64Å; F381-F397 HydrophobicContact CD1-CE1 3.64Å; F381-F397 AromaticContact CD1-CZ 3.61Å; F381-F397 HydrophobicContact CD1-CZ 3.61Å; F381-F397 AromaticContact CE1-CE1 3.41Å; F381-F397 HydrophobicContact CE1-CE1 3.41Å; F381-F397 VanDerWaalsContact CE1-CE1 3.41Å; F381-F397 AromaticContact CE1-CZ 3.42Å; F381-F397 HydrophobicContact CE1-CZ 3.42Å; F381-F397 VanDerWaalsContact CE1-CZ 3.42Å; F381-F397 HydrophobicContact CZ-CE1 4.1Å; F381-F397 HydrophobicContact CZ-CZ 4.46Å
382	S	84.8	Confident	76.2	Confident	71 Å²	71	86.5 Å²	86.5	50%	0.497	45%	0.452	S	S	.	.	H	α-helix	trans	-67.3	-15.9	176.1	-62.8	0	0	0	0	115.2	D378 E380 R386	D378-S382 WeakPolarHBondContact O-CB 3.41Å; D378-S382 PolarHBondContact O-N 2.89Å; D378-S382 PolarHBondContact O-OG 3.33Å; E380-S382 PolarHBondContact O-N 3.33Å; S382-R386 PolarHBondContact O-NE 2.86Å
383	R	80	Confident	75.5	Confident	79 Å²	79	92 Å²	92	30%	0.298	47%	0.472	S	S	.	.	H	α-helix	trans	-83.8	-37.4	167.4	-69.3	164.8	-130.7	171.6	10.5	110.9	L379 E380 F381 R386	L379-R383 WeakPolarHBondContact O-CD 3.02Å; L379-R383 WeakPolarHBondContact O-CG 3.39Å; L379-R383 PolarHBondContact O-NE 3.07Å; E380-R383 WeakPolarHBondContact O-CA 3.4Å; E380-R383 WeakPolarHBondContact O-CB 3.45Å; E380-R383 PolarHBondContact O-N 2.68Å; E380-R383 IonicContact OE1-CZ 2.67Å; E380-R383 IonicContact OE1-NH1 3.21Å; E380-R383 PolarHBondContact OE1-NH1 3.46Å; E380-R383 IonicContact OE1-NH2 2.77Å; E380-R383 PolarHBondContact OE1-NH2 2.77Å; E380-R383 IonicContact OE2-NH1 3.03Å; F381-R383 VanDerWaalsContact C-N 3.26Å; F381-R383 PolarHBondContact O-N 3.47Å; R383-R386 WeakPolarHBondContact O-CB 3.46Å; R383-R386 PolarHBondContact O-N 3.15Å
384	L	77	Confident	74.7	Confident	21 Å²	21	97 Å²	97	11%	0.11	50%	0.502	C	S	.	.	H	α-helix	trans	-68.9	-42.1	-178.7	-63.2	177.6	0	0	0	111.8	E380 F381 R386 K387 A396 F397	E380-L384 WeakPolarHBondContact O-CG 3.1Å; E380-L384 PolarHBondContact O-N 3.19Å; E380-L384 VanDerWaalsContact O-N 3.07Å; F381-L384 WeakPolarHBondContact O-CB 3.47Å; F381-L384 PolarHBondContact O-N 2.85Å; L384-R386 PolarHBondContact O-N 3.17Å; L384-K387 HydrophobicContact CD2-CD 4.15Å; L384-K387 WeakPolarHBondContact O-CB 3.24Å; L384-K387 PolarHBondContact O-N 3.3Å; L384-A396 VanDerWaalsContact CD2-O 3.32Å; L384-A396 WeakPolarHBondContact CD2-O 3.2Å; L384-F397 HydrophobicContact CD1-CB 4.27Å; L384-F397 HydrophobicContact CD1-CD1 3.21Å; L384-F397 HydrophobicContact CD1-CD2 3.97Å; L384-F397 HydrophobicContact CD1-CE1 3.25Å; L384-F397 HydrophobicContact CD1-CE2 4Å; L384-F397 HydrophobicContact CD1-CG 3.56Å; L384-F397 HydrophobicContact CD1-CZ 3.64Å
385	A	80.2	Confident	74	Confident	86 Å²	86	97.6 Å²	97.6	71%	0.711	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-3.4	174.6	0	0	0	0	0	115.1	F381	F381-A385 PolarHBondContact O-N 3.29Å
386	R	75.1	Confident	73.5	Confident	220 Å²	220	95.5 Å²	95.5	83%	0.83	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-10.3	171.8	-59.2	178.5	-178.9	-136.2	-1.3	113.6	S382 R383 L384	S382-R386 PolarHBondContact O-NE 2.86Å; R383-R386 WeakPolarHBondContact O-CB 3.46Å; R383-R386 PolarHBondContact O-N 3.15Å; L384-R386 PolarHBondContact O-N 3.17Å
387	K	72.3	Confident	72.8	Confident	100 Å²	100	97.9 Å²	97.9	44%	0.435	49%	0.494	S	S	.	.	S	Bend	trans	-82.4	147.4	170.2	-56.7	174.7	-175.7	173.5	0	107.8	L384 V389 A396	L384-K387 HydrophobicContact CD2-CD 4.15Å; L384-K387 WeakPolarHBondContact O-CB 3.24Å; L384-K387 PolarHBondContact O-N 3.3Å; K387-V389 HydrophobicContact CB-CG2 4.24Å; K387-V389 PolarHBondContact O-N 2.94Å; K387-A396 PolarHBondContact NZ-O 3.47Å
388	S	65.2	Low	72.1	Confident	103 Å²	103	94.1 Å²	94.1	72%	0.72	48%	0.476	S	S	*	.			trans	-70.7	118.5	159.7	-158.9	0	0	0	0	107.2
389	V	60.8	Low	71.2	Confident	42 Å²	42	90.9 Å²	90.9	26%	0.255	46%	0.457	S	S	.	.			trans	-109.2	89.2	178.7	-179.1	0	0	0	0	106.8	K387 D391 Y393 A396	K387-V389 HydrophobicContact CB-CG2 4.24Å; K387-V389 PolarHBondContact O-N 2.94Å; V389-D391 VanDerWaalsContact CG1-O 3.27Å; V389-D391 WeakPolarHBondContact CG1-O 3.4Å; V389-Y393 HydrophobicContact CG1-CD1 4.13Å; V389-Y393 HydrophobicContact CG1-CE1 4.34Å; V389-Y393 HydrophobicContact CG1-CG 4.31Å; V389-A396 HydrophobicContact CG1-CB 4.06Å; V389-A396 HydrophobicContact CG2-CB 4.07Å
390	E	58.5	Low	70.3	Confident	181 Å²	181	92.5 Å²	92.5	85%	0.846	46%	0.461	S	S	*	.			trans	-96.9	-20.7	171.7	-68.5	171.7	117.3	0	0	111.4
391	D	58.3	Low	69.5	Low	121 Å²	121	97 Å²	97	65%	0.647	48%	0.476	S	S	*	.	S	Bend	trans	-78.1	164	168.3	-56.3	-40	0	0	0	110.6	V389 Y393	V389-D391 VanDerWaalsContact CG1-O 3.27Å; V389-D391 WeakPolarHBondContact CG1-O 3.4Å; D391-Y393 PolarHBondContact O-N 2.85Å
392	E	64.3	Low	68.5	Low	159 Å²	159	94.6 Å²	94.6	74%	0.743	47%	0.469	S	S	*	.			trans	-55.2	134.2	175.2	-67.7	176.6	179.3	0	0	112.1	T394 D395	E392-T394 PolarHBondContact O-N 2.85Å; E392-D395 PolarHBondContact O-N 3.31Å; E392-D395 VanDerWaalsContact O-N 3.14Å
393	Y	66.1	Low	67.9	Low	178 Å²	178	93.6 Å²	93.6	70%	0.698	46%	0.458	S	S	*	.	H	α-helix	trans	-53.7	-31.5	-169.8	-84.5	-91.2	0	0	0	114.3	V389 D391 A396 F397	V389-Y393 HydrophobicContact CG1-CD1 4.13Å; V389-Y393 HydrophobicContact CG1-CE1 4.34Å; V389-Y393 HydrophobicContact CG1-CG 4.31Å; D391-Y393 PolarHBondContact O-N 2.85Å; Y393-A396 WeakPolarHBondContact O-CB 3.41Å; Y393-A396 PolarHBondContact O-N 3.31Å; Y393-F397 VanDerWaalsContact O-CD2 3.22Å; Y393-F397 WeakPolarHBondContact O-CD2 3.42Å; Y393-F397 WeakPolarHBondContact O-CE2 3.31Å
394	T	66.4	Low	67.5	Low	106 Å²	106	91.7 Å²	91.7	65%	0.65	46%	0.459	S	S	*	.	H	α-helix	trans	-55.5	-50	178.3	46.8	0	0	0	0	112.6	E392 A396 F397	E392-T394 PolarHBondContact O-N 2.85Å; T394-A396 PolarHBondContact O-N 3.12Å; T394-F397 PolarHBondContact O-N 2.94Å
395	D	68.2	Low	67.2	Low	63 Å²	63	94.3 Å²	94.3	34%	0.337	47%	0.471	S	S	.	.	H	α-helix	trans	-80.5	-3.5	-172.6	-155.7	53.8	0	0	0	113.2	R349 E392 K400	R349-D395 IonicContact NH2-OD1 3.12Å; E392-D395 PolarHBondContact O-N 3.31Å; E392-D395 VanDerWaalsContact O-N 3.14Å; D395-K400 WeakPolarHBondContact O-CE 3.28Å; D395-K400 PolarHBondContact O-NZ 2.91Å; D395-K400 WeakPolarHBondContact OD2-CE 3.38Å; D395-K400 IonicContact OD2-NZ 2.62Å; D395-K400 PolarHBondContact OD2-NZ 3.46Å
396	A	68.7	Low	66.9	Low	16 Å²	16	95.4 Å²	95.4	13%	0.132	46%	0.46	C	S	.	.	H	α-helix	trans	-80.2	-25.1	174.4	0	0	0	0	0	113.7	L384 K387 V389 Y393 T394	L384-A396 VanDerWaalsContact CD2-O 3.32Å; L384-A396 WeakPolarHBondContact CD2-O 3.2Å; K387-A396 PolarHBondContact NZ-O 3.47Å; V389-A396 HydrophobicContact CG1-CB 4.06Å; V389-A396 HydrophobicContact CG2-CB 4.07Å; Y393-A396 WeakPolarHBondContact O-CB 3.41Å; Y393-A396 PolarHBondContact O-N 3.31Å; T394-A396 PolarHBondContact O-N 3.12Å
397	F	68.1	Low	67	Low	83 Å²	83	87.9 Å²	87.9	36%	0.364	43%	0.434	S	S	.	.	H	α-helix	trans	-70.9	-39.7	177.7	-76.4	-101.1	0	0	0	112	F381 L384 Y393 T394 K399	F381-F397 AromaticContact CD1-CE1 3.64Å; F381-F397 HydrophobicContact CD1-CE1 3.64Å; F381-F397 AromaticContact CD1-CZ 3.61Å; F381-F397 HydrophobicContact CD1-CZ 3.61Å; F381-F397 AromaticContact CE1-CE1 3.41Å; F381-F397 HydrophobicContact CE1-CE1 3.41Å; F381-F397 VanDerWaalsContact CE1-CE1 3.41Å; F381-F397 AromaticContact CE1-CZ 3.42Å; F381-F397 HydrophobicContact CE1-CZ 3.42Å; F381-F397 VanDerWaalsContact CE1-CZ 3.42Å; F381-F397 HydrophobicContact CZ-CE1 4.1Å; F381-F397 HydrophobicContact CZ-CZ 4.46Å; L384-F397 HydrophobicContact CD1-CB 4.27Å; L384-F397 HydrophobicContact CD1-CD1 3.21Å; L384-F397 HydrophobicContact CD1-CD2 3.97Å; L384-F397 HydrophobicContact CD1-CE1 3.25Å; L384-F397 HydrophobicContact CD1-CE2 4Å; L384-F397 HydrophobicContact CD1-CG 3.56Å; L384-F397 HydrophobicContact CD1-CZ 3.64Å; Y393-F397 VanDerWaalsContact O-CD2 3.22Å; Y393-F397 WeakPolarHBondContact O-CD2 3.42Å; Y393-F397 WeakPolarHBondContact O-CE2 3.31Å; T394-F397 PolarHBondContact O-N 2.94Å; F397-K399 PolarHBondContact O-N 3.09Å
398	V	67.8	Low	67.5	Low	15 Å²	15	83.4 Å²	83.4	9%	0.091	42%	0.416	C	S	.	.	S	Bend	trans	-50.7	112.7	179.4	-176.5	0	0	0	0	109.7	F352 K400	F352-V398 HydrophobicContact CD1-CG2 4.47Å; F352-V398 WeakPolarHBondContact O-CG1 3.49Å; V398-K400 HydrophobicContact CG1-CG 4.39Å; V398-K400 PolarHBondContact O-N 3.32Å
399	K	68.6	Low	68.4	Low	35 Å²	35	81.4 Å²	81.4	15%	0.152	40%	0.396	C	S	.	.			trans	-62	111.5	172.9	-69.7	-176	-168.8	180	0	106.7	F340 F353 P354 E355 F397 E407	F340-K399 WeakPolarHBondContact CE1-O 3.37Å; F340-K399 VanDerWaalsContact CZ-O 3.23Å; F340-K399 WeakPolarHBondContact CZ-O 3.43Å; F353-K399 HydrophobicContact CD1-CB 4.22Å; F353-K399 HydrophobicContact CD1-CD 4.18Å; F353-K399 HydrophobicContact CD1-CG 3.94Å; F353-K399 HydrophobicContact CE1-CG 4.37Å; P354-K399 HydrophobicContact CG-CD 4.42Å; E355-K399 IonicContact OE1-NZ 3.38Å; E355-K399 PolarHBondContact OE1-NZ 3.22Å; F397-K399 PolarHBondContact O-N 3.09Å; K399-E407 IonicContact NZ-OE2 3.06Å; K399-E407 PolarHBondContact NZ-OE2 3.42Å
400	K	63.7	Low	69.5	Low	104 Å²	104	82.8 Å²	82.8	45%	0.452	40%	0.399	S	S	.	.			trans	-90	5.5	-177.1	-70.5	174	-174.8	174.5	0	114.5	D395 V398	D395-K400 WeakPolarHBondContact O-CE 3.28Å; D395-K400 PolarHBondContact O-NZ 2.91Å; D395-K400 WeakPolarHBondContact OD2-CE 3.38Å; D395-K400 IonicContact OD2-NZ 2.62Å; D395-K400 PolarHBondContact OD2-NZ 3.46Å; V398-K400 HydrophobicContact CG1-CG 4.39Å; V398-K400 PolarHBondContact O-N 3.32Å
401	R	63.2	Low	70.8	Confident	152 Å²	152	76.1 Å²	76.1	57%	0.574	37%	0.372	S	S	*	.	S	Bend	trans	-153.3	148.8	179.1	-53.1	-176.7	-156.7	-170.2	6.4	110.5
402	V	62.3	Low	72.2	Confident	52 Å²	52	74.9 Å²	74.9	32%	0.315	36%	0.361	S	S	.	.			trans	-81.1	136.6	172.3	-167.7	0	0	0	0	109.9	L337 Q338 F340 P354	L337-V402 WeakPolarHBondContact CD2-O 3.26Å; Q338-V402 PolarHBondContact O-N 2.87Å; F340-V402 HydrophobicContact CB-CG2 3.82Å; F340-V402 HydrophobicContact CD1-CG2 3.89Å; F340-V402 HydrophobicContact CG-CG2 4.35Å; P354-V402 HydrophobicContact CB-CG1 4.22Å; P354-V402 HydrophobicContact CB-CG2 4.05Å; P354-V402 HydrophobicContact CG-CG2 4.26Å
403	N	70.9	Confident	73.4	Confident	49 Å²	49	73 Å²	73	26%	0.262	35%	0.352	S	S	.	.			trans	-151.5	24	-178.7	-167.1	49	0	0	0	113	L337 E405 K406 E407	L337-N403 HydrophobicContact CD2-CB 4.17Å; N403-E405 VanDerWaalsContact C-N 3.33Å; N403-E405 PolarHBondContact O-N 3Å; N403-K406 PolarHBondContact O-N 3.45Å; N403-K406 WeakPolarHBondContact OD1-CD 3.46Å; N403-K406 WeakPolarHBondContact OD1-CG 3.33Å; N403-K406 PolarHBondContact OD1-NZ 3.35Å; N403-E407 PolarHBondContact O-N 3.06Å
404	A	70.9	Confident	74.5	Confident	39 Å²	39	67.7 Å²	67.7	32%	0.322	34%	0.336	S	S	.	.	H	α-helix	trans	-50.7	-43.1	-168.4	0	0	0	0	0	114.2	K406 E407 A408	A404-K406 VanDerWaalsContact C-N 3.31Å; A404-K406 PolarHBondContact O-N 2.93Å; A404-E407 PolarHBondContact O-N 3.23Å; A404-E407 VanDerWaalsContact O-N 3.13Å; A404-A408 WeakPolarHBondContact O-CB 3.34Å; A404-A408 PolarHBondContact O-N 3.19Å
405	E	71	Confident	75.6	Confident	76 Å²	76	63.2 Å²	63.2	36%	0.355	31%	0.309	S	S	.	.	H	α-helix	trans	-52.3	-46.7	174.9	172.7	-179	-159.1	0	0	112.6	P327 N403 E407 A408 I409	P327-E405 HydrophobicContact CG-CG 3.65Å; N403-E405 VanDerWaalsContact C-N 3.33Å; N403-E405 PolarHBondContact O-N 3Å; E405-E407 VanDerWaalsContact C-N 3.34Å; E405-A408 PolarHBondContact O-N 3.14Å; E405-I409 HydrophobicContact CG-CD1 3.77Å; E405-I409 WeakPolarHBondContact O-CB 3.5Å; E405-I409 VanDerWaalsContact O-CG1 3.25Å; E405-I409 WeakPolarHBondContact O-CG1 3.33Å; E405-I409 PolarHBondContact O-N 2.97Å
406	K	75.5	Confident	76.8	Confident	109 Å²	109	62.3 Å²	62.3	47%	0.474	31%	0.306	S	S	.	.	H	α-helix	trans	-76.2	-27.1	-177.6	-51.9	-165.6	-164.7	85	0	111.7	N403 A404 K410	N403-K406 PolarHBondContact O-N 3.45Å; N403-K406 WeakPolarHBondContact OD1-CD 3.46Å; N403-K406 WeakPolarHBondContact OD1-CG 3.33Å; N403-K406 PolarHBondContact OD1-NZ 3.35Å; A404-K406 VanDerWaalsContact C-N 3.31Å; A404-K406 PolarHBondContact O-N 2.93Å; K406-K410 WeakPolarHBondContact O-CB 3.34Å; K406-K410 PolarHBondContact O-N 3.2Å
407	E	76.5	Confident	77.9	Confident	63 Å²	63	63.9 Å²	63.9	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-70	-40.8	171.8	-74.8	167.6	-144.6	0	0	110.5	K399 N403 A404 E405 K410 C411	K399-E407 IonicContact NZ-OE2 3.06Å; K399-E407 PolarHBondContact NZ-OE2 3.42Å; N403-E407 PolarHBondContact O-N 3.06Å; A404-E407 PolarHBondContact O-N 3.23Å; A404-E407 VanDerWaalsContact O-N 3.13Å; E405-E407 VanDerWaalsContact C-N 3.34Å; E407-K410 PolarHBondContact O-N 3.11Å; E407-C411 WeakPolarHBondContact O-CB 3.29Å; E407-C411 PolarHBondContact O-N 3.4Å
408	A	82.3	Confident	78.9	Confident	6 Å²	6	62.2 Å²	62.2	5%	0.05	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-47	172.1	0	0	0	0	0	113.1	I323 R324 A404 E405 K410 C411 K412	I323-A408 HydrophobicContact CG2-CB 3.67Å; R324-A408 WeakPolarHBondContact O-CB 3.42Å; A404-A408 WeakPolarHBondContact O-CB 3.34Å; A404-A408 PolarHBondContact O-N 3.19Å; E405-A408 PolarHBondContact O-N 3.14Å; A408-K410 VanDerWaalsContact C-N 3.3Å; A408-K410 PolarHBondContact O-N 3.45Å; A408-C411 PolarHBondContact O-N 3.09Å; A408-K412 PolarHBondContact O-N 3.41Å
409	I	84.5	Confident	80.1	Confident	61 Å²	61	64.3 Å²	64.3	31%	0.313	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-41.7	174.3	-70	167.1	0	0	0	110.6	P327 E405 K412 Q413	P327-I409 HydrophobicContact CG-CD1 4.35Å; P327-I409 HydrophobicContact CG-CG1 4.49Å; E405-I409 HydrophobicContact CG-CD1 3.77Å; E405-I409 WeakPolarHBondContact O-CB 3.5Å; E405-I409 VanDerWaalsContact O-CG1 3.25Å; E405-I409 WeakPolarHBondContact O-CG1 3.33Å; E405-I409 PolarHBondContact O-N 2.97Å; I409-K412 PolarHBondContact O-N 3.13Å; I409-Q413 WeakPolarHBondContact O-CG 3.27Å; I409-Q413 PolarHBondContact O-N 2.99Å
410	K	84.4	Confident	81.3	Confident	71 Å²	71	69.2 Å²	69.2	31%	0.309	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-47.4	176.6	-175.8	-169.2	170.6	-151.3	0	111.4	K406 E407 A408 K412 Q413 D414	K406-K410 WeakPolarHBondContact O-CB 3.34Å; K406-K410 PolarHBondContact O-N 3.2Å; E407-K410 PolarHBondContact O-N 3.11Å; A408-K410 VanDerWaalsContact C-N 3.3Å; A408-K410 PolarHBondContact O-N 3.45Å; K410-K412 VanDerWaalsContact C-N 3.27Å; K410-K412 PolarHBondContact O-N 3Å; K410-Q413 CarbonylContact O-C 3.52Å; K410-Q413 WeakPolarHBondContact O-CA 3.47Å; K410-Q413 WeakPolarHBondContact O-CB 3.29Å; K410-Q413 PolarHBondContact O-N 3Å; K410-D414 WeakPolarHBondContact CE-OD2 3.47Å; K410-D414 WeakPolarHBondContact CG-OD2 3.44Å; K410-D414 IonicContact NZ-OD2 2.77Å; K410-D414 PolarHBondContact O-N 3.31Å
411	C	84.7	Confident	82.7	Confident	41 Å²	41	70.5 Å²	70.5	28%	0.277	35%	0.345	S	S	.	.	H	α-helix	trans	-53.7	-45.5	176.1	-177.5	0	0	0	0	111.3	I323 E407 A408 Q413 D414 A415	I323-C411 HydrophobicContact CD1-CB 4.46Å; E407-C411 WeakPolarHBondContact O-CB 3.29Å; E407-C411 PolarHBondContact O-N 3.4Å; A408-C411 PolarHBondContact O-N 3.09Å; C411-Q413 PolarHBondContact O-N 3.3Å; C411-D414 PolarHBondContact O-N 2.62Å; C411-A415 VanDerWaalsContact O-CB 3.3Å; C411-A415 WeakPolarHBondContact O-CB 3.48Å; C411-A415 PolarHBondContact O-N 2.76Å
412	K	88.6	Confident	84	Confident	95 Å²	95	66.2 Å²	66.2	41%	0.413	33%	0.328	S	S	.	.	H	α-helix	trans	-60.3	-42.5	173.6	-175.9	171.7	180	174.1	0	112.8	I323 L326 A408 I409 K410 V416	I323-K412 HydrophobicContact CD1-CB 3.76Å; I323-K412 HydrophobicContact CD1-CG 4.47Å; L326-K412 HydrophobicContact CD1-CB 4.27Å; L326-K412 HydrophobicContact CD1-CD 3.61Å; L326-K412 HydrophobicContact CD2-CD 3.89Å; L326-K412 HydrophobicContact CG-CD 4.39Å; A408-K412 PolarHBondContact O-N 3.41Å; I409-K412 PolarHBondContact O-N 3.13Å; K410-K412 VanDerWaalsContact C-N 3.27Å; K410-K412 PolarHBondContact O-N 3Å; K412-V416 WeakPolarHBondContact O-CB 3.16Å; K412-V416 VanDerWaalsContact O-CG2 3.23Å; K412-V416 WeakPolarHBondContact O-CG2 3.5Å; K412-V416 PolarHBondContact O-N 3.28Å
413	Q	90	Very high	85.5	Confident	118 Å²	118	66 Å²	66	55%	0.551	33%	0.327	S	S	*	.	H	α-helix	trans	-67.4	-40	177.6	-72.9	175.9	10.3	0	0	112.6	I409 K410 C411 S417	I409-Q413 WeakPolarHBondContact O-CG 3.27Å; I409-Q413 PolarHBondContact O-N 2.99Å; K410-Q413 CarbonylContact O-C 3.52Å; K410-Q413 WeakPolarHBondContact O-CA 3.47Å; K410-Q413 WeakPolarHBondContact O-CB 3.29Å; K410-Q413 PolarHBondContact O-N 3Å; C411-Q413 PolarHBondContact O-N 3.3Å; Q413-S417 VanDerWaalsContact O-CB 3.23Å; Q413-S417 WeakPolarHBondContact O-CB 3.2Å; Q413-S417 PolarHBondContact O-N 2.99Å; Q413-S417 PolarHBondContact O-OG 2.92Å
414	D	89.1	Confident	86.6	Confident	68 Å²	68	68.5 Å²	68.5	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-69.9	-41.1	178.5	-74.9	-29.4	0	0	0	111.1	K410 C411 S417 S418	K410-D414 WeakPolarHBondContact CE-OD2 3.47Å; K410-D414 WeakPolarHBondContact CG-OD2 3.44Å; K410-D414 IonicContact NZ-OD2 2.77Å; K410-D414 PolarHBondContact O-N 3.31Å; C411-D414 PolarHBondContact O-N 2.62Å; D414-S417 CarbonylContact O-C 3.58Å; D414-S417 WeakPolarHBondContact O-CB 3.48Å; D414-S417 PolarHBondContact O-N 3.13Å; D414-S418 PolarHBondContact O-N 3.38Å
415	A	89.2	Confident	87.7	Confident	11 Å²	11	67 Å²	67	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-49.2	173.1	0	0	0	0	0	112.5	L309 V321 C411 S417 S418 Y419	L309-A415 HydrophobicContact CB-CB 4.4Å; L309-A415 HydrophobicContact CD1-CB 4.18Å; V321-A415 HydrophobicContact CG1-CB 4.29Å; V321-A415 HydrophobicContact CG2-CB 4.09Å; C411-A415 VanDerWaalsContact O-CB 3.3Å; C411-A415 WeakPolarHBondContact O-CB 3.48Å; C411-A415 PolarHBondContact O-N 2.76Å; A415-S417 PolarHBondContact O-N 2.96Å; A415-S418 PolarHBondContact O-N 2.82Å; A415-Y419 PolarHBondContact O-N 2.84Å
416	V	92.4	Very high	88.7	Confident	45 Å²	45	66.1 Å²	66.1	27%	0.273	32%	0.319	S	S	.	.	H	α-helix	trans	-59.9	-35.3	173.8	167.5	0	0	0	0	111.3	L309 K412 K420	L309-V416 HydrophobicContact CD1-CG2 3.83Å; L309-V416 HydrophobicContact CD2-CG2 4Å; K412-V416 WeakPolarHBondContact O-CB 3.16Å; K412-V416 VanDerWaalsContact O-CG2 3.23Å; K412-V416 WeakPolarHBondContact O-CG2 3.5Å; K412-V416 PolarHBondContact O-N 3.28Å; V416-K420 HydrophobicContact CG1-CD 4.13Å; V416-K420 WeakPolarHBondContact O-CB 3.33Å; V416-K420 VanDerWaalsContact O-CG 3.26Å; V416-K420 WeakPolarHBondContact O-CG 3.46Å; V416-K420 PolarHBondContact O-N 2.85Å
417	S	92.5	Very high	89.5	Confident	49 Å²	49	64 Å²	64	34%	0.343	32%	0.318	S	S	.	.	H	α-helix	trans	-70.3	-36.2	174.8	-61.9	0	0	0	0	112.1	Q413 D414 A415 K420 R421	Q413-S417 VanDerWaalsContact O-CB 3.23Å; Q413-S417 WeakPolarHBondContact O-CB 3.2Å; Q413-S417 PolarHBondContact O-N 2.99Å; Q413-S417 PolarHBondContact O-OG 2.92Å; D414-S417 CarbonylContact O-C 3.58Å; D414-S417 WeakPolarHBondContact O-CB 3.48Å; D414-S417 PolarHBondContact O-N 3.13Å; A415-S417 PolarHBondContact O-N 2.96Å; S417-K420 PolarHBondContact O-N 2.67Å; S417-R421 VanDerWaalsContact O-CG 3.3Å; S417-R421 WeakPolarHBondContact O-CG 3.44Å; S417-R421 PolarHBondContact O-N 3.37Å
418	S	89.7	Confident	90.3	Very high	47 Å²	47	67.3 Å²	67.3	33%	0.329	33%	0.331	S	S	.	.	H	α-helix	trans	-66.3	-47.6	175	-136.9	0	0	0	0	112	D414 A415 K420 R421 R422	D414-S418 PolarHBondContact O-N 3.38Å; A415-S418 PolarHBondContact O-N 2.82Å; S418-K420 VanDerWaalsContact C-N 3.33Å; S418-K420 PolarHBondContact O-N 3.32Å; S418-R421 VanDerWaalsContact CA-NH2 3.28Å; S418-R421 VanDerWaalsContact CB-NH2 3.27Å; S418-R421 WeakPolarHBondContact O-CA 3.45Å; S418-R421 WeakPolarHBondContact O-CB 3.3Å; S418-R421 PolarHBondContact O-N 2.85Å; S418-R421 PolarHBondContact OG-NH2 3.43Å; S418-R422 PolarHBondContact O-N 3.48Å
419	Y	92.1	Very high	90.8	Very high	60 Å²	60	67.7 Å²	67.7	24%	0.235	33%	0.334	C	S	.	.	H	α-helix	trans	-54.9	-47.9	173	177	-100.3	0	0	0	111.7	I307 A415 R421 R422 V423	I307-Y419 HydrophobicContact CD1-CE1 3.84Å; I307-Y419 WeakPolarHBondContact CD1-OH 3.29Å; I307-Y419 HydrophobicContact CG2-CD1 4.32Å; I307-Y419 HydrophobicContact CG2-CD2 3.92Å; I307-Y419 HydrophobicContact CG2-CE1 3.99Å; I307-Y419 HydrophobicContact CG2-CE2 3.56Å; I307-Y419 HydrophobicContact CG2-CG 4.29Å; A415-Y419 PolarHBondContact O-N 2.84Å; Y419-R421 VanDerWaalsContact C-N 3.31Å; Y419-R421 PolarHBondContact O-N 3.11Å; Y419-R422 PolarHBondContact O-N 2.82Å; Y419-R422 VanDerWaalsContact O-N 3.17Å; Y419-V423 HydrophobicContact CD1-CG2 4.31Å; Y419-V423 HydrophobicContact CD2-CG2 4.24Å; Y419-V423 HydrophobicContact CE1-CG2 3.79Å; Y419-V423 HydrophobicContact CE2-CG2 3.7Å; Y419-V423 VanDerWaalsContact CZ-CG2 3.44Å; Y419-V423 WeakPolarHBondContact O-CG2 3.41Å; Y419-V423 PolarHBondContact O-N 2.85Å
420	K	94	Very high	91.2	Very high	138 Å²	138	71.3 Å²	71.3	60%	0.6	35%	0.353	S	S	*	.	H	α-helix	trans	-61	-35.4	175.4	-75.1	171.8	-179.6	177.4	0	113.2	V416 S417 S418 F424	V416-K420 HydrophobicContact CG1-CD 4.13Å; V416-K420 WeakPolarHBondContact O-CB 3.33Å; V416-K420 VanDerWaalsContact O-CG 3.26Å; V416-K420 WeakPolarHBondContact O-CG 3.46Å; V416-K420 PolarHBondContact O-N 2.85Å; S417-K420 PolarHBondContact O-N 2.67Å; S418-K420 VanDerWaalsContact C-N 3.33Å; S418-K420 PolarHBondContact O-N 3.32Å; K420-F424 WeakPolarHBondContact O-CB 3.14Å; K420-F424 PolarHBondContact O-N 3.07Å; K420-F424 VanDerWaalsContact O-N 3.08Å
421	R	93	Very high	91.7	Very high	131 Å²	131	69.3 Å²	69.3	49%	0.494	35%	0.347	S	S	.	.	H	α-helix	trans	-67.5	-42.1	173.9	-73.7	-179.3	-57.8	-112.2	6.4	111.7	S417 S418 Y419 A425 V517	S417-R421 VanDerWaalsContact O-CG 3.3Å; S417-R421 WeakPolarHBondContact O-CG 3.44Å; S417-R421 PolarHBondContact O-N 3.37Å; S418-R421 VanDerWaalsContact CA-NH2 3.28Å; S418-R421 VanDerWaalsContact CB-NH2 3.27Å; S418-R421 WeakPolarHBondContact O-CA 3.45Å; S418-R421 WeakPolarHBondContact O-CB 3.3Å; S418-R421 PolarHBondContact O-N 2.85Å; S418-R421 PolarHBondContact OG-NH2 3.43Å; Y419-R421 VanDerWaalsContact C-N 3.31Å; Y419-R421 PolarHBondContact O-N 3.11Å; R421-A425 PolarHBondContact O-N 2.58Å; R421-A425 VanDerWaalsContact O-N 3.14Å; R421-V517 HydrophobicContact CB-CG2 4.4Å
422	R	91	Very high	92.1	Very high	61 Å²	61	67.9 Å²	67.9	23%	0.23	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-54.2	178.4	-156.1	-176.7	73.6	-159.4	0.9	110.6	E318 S418 Y419 F424 A425 E426 V517	E318-R422 IonicContact OE1-CZ 3.53Å; E318-R422 IonicContact OE1-NH1 3.46Å; E318-R422 PolarHBondContact OE1-NH1 2.74Å; E318-R422 IonicContact OE2-CZ 3.54Å; E318-R422 IonicContact OE2-NH1 2.68Å; E318-R422 PolarHBondContact OE2-NH1 3.29Å; S418-R422 PolarHBondContact O-N 3.48Å; Y419-R422 PolarHBondContact O-N 2.82Å; Y419-R422 VanDerWaalsContact O-N 3.17Å; R422-F424 VanDerWaalsContact C-N 3.28Å; R422-F424 PolarHBondContact O-N 2.64Å; R422-A425 CarbonylContact O-C 3.38Å; R422-A425 WeakPolarHBondContact O-CA 3.34Å; R422-A425 WeakPolarHBondContact O-CB 3.45Å; R422-A425 PolarHBondContact O-N 3.11Å; R422-E426 WeakPolarHBondContact CD-OE1 3.45Å; R422-E426 HydrophobicContact CG-CG 4.39Å; R422-E426 VanDerWaalsContact CG-OE1 3.31Å; R422-E426 WeakPolarHBondContact CG-OE1 3.44Å; R422-E426 IonicContact CZ-OE1 3.12Å; R422-E426 IonicContact NE-OE1 2.69Å; R422-E426 PolarHBondContact NE-OE1 3.26Å; R422-E426 IonicContact NH2-OE1 2.98Å; R422-E426 WeakPolarHBondContact O-CG 3.39Å; R422-E426 PolarHBondContact O-N 2.81Å; R422-V517 HydrophobicContact CB-CG1 4.47Å; R422-V517 HydrophobicContact CG-CB 4.24Å; R422-V517 HydrophobicContact CG-CG1 4.22Å
423	V	92.6	Very high	92.3	Very high	49 Å²	49	66.5 Å²	66.5	30%	0.297	33%	0.334	S	S	.	.	H	α-helix	trans	-58.5	-36.7	177.1	177	0	0	0	0	112.6	Y419 A425 E426 S427	Y419-V423 HydrophobicContact CD1-CG2 4.31Å; Y419-V423 HydrophobicContact CD2-CG2 4.24Å; Y419-V423 HydrophobicContact CE1-CG2 3.79Å; Y419-V423 HydrophobicContact CE2-CG2 3.7Å; Y419-V423 VanDerWaalsContact CZ-CG2 3.44Å; Y419-V423 WeakPolarHBondContact O-CG2 3.41Å; Y419-V423 PolarHBondContact O-N 2.85Å; V423-A425 VanDerWaalsContact C-N 3.28Å; V423-A425 PolarHBondContact O-N 2.75Å; V423-E426 WeakPolarHBondContact CA-OE2 3.44Å; V423-S427 VanDerWaalsContact O-CB 3.27Å; V423-S427 WeakPolarHBondContact O-CB 3.29Å; V423-S427 PolarHBondContact O-N 3.14Å; V423-S427 PolarHBondContact O-OG 2.81Å
424	F	94.3	Very high	92.4	Very high	100 Å²	100	68.6 Å²	68.6	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-69.7	-22.4	175.3	-179.3	-94.8	0	0	0	113.8	K420 R422 S427 K428	K420-F424 WeakPolarHBondContact O-CB 3.14Å; K420-F424 PolarHBondContact O-N 3.07Å; K420-F424 VanDerWaalsContact O-N 3.08Å; R422-F424 VanDerWaalsContact C-N 3.28Å; R422-F424 PolarHBondContact O-N 2.64Å; F424-S427 WeakPolarHBondContact CA-OG 3.4Å; F424-K428 HydrophobicContact CD1-CD 4.43Å; F424-K428 HydrophobicContact CE1-CD 3.96Å; F424-K428 HydrophobicContact CE2-CD 4.17Å; F424-K428 VanDerWaalsContact CE2-CE 3.5Å; F424-K428 HydrophobicContact CZ-CD 3.84Å; F424-K428 WeakPolarHBondContact O-CB 3.3Å; F424-K428 WeakPolarHBondContact O-CG 3.44Å
425	A	93.4	Very high	92.5	Very high	7 Å²	7	69.2 Å²	69.2	6%	0.058	34%	0.341	C	S	.	.	H	α-helix	trans	-88	-46.2	173.8	0	0	0	0	0	111.5	R421 R422 V423 S427 K428 C429 V517 R518	R421-A425 PolarHBondContact O-N 2.58Å; R421-A425 VanDerWaalsContact O-N 3.14Å; R422-A425 CarbonylContact O-C 3.38Å; R422-A425 WeakPolarHBondContact O-CA 3.34Å; R422-A425 WeakPolarHBondContact O-CB 3.45Å; R422-A425 PolarHBondContact O-N 3.11Å; V423-A425 VanDerWaalsContact C-N 3.28Å; V423-A425 PolarHBondContact O-N 2.75Å; A425-S427 PolarHBondContact O-N 2.61Å; A425-K428 CarbonylContact O-C 3.55Å; A425-K428 PolarHBondContact O-N 2.66Å; A425-C429 WeakPolarHBondContact O-CB 3.35Å; A425-C429 PolarHBondContact O-N 3.43Å; A425-V517 HydrophobicContact CB-CG2 4.38Å; A425-V517 WeakPolarHBondContact CB-O 3.48Å; A425-R518 HydrophobicContact CB-CG 4.43Å
426	E	92.7	Very high	92.7	Very high	58 Å²	58	69.3 Å²	69.3	27%	0.271	34%	0.341	S	S	.	.	H	α-helix	trans	-51.7	-34.8	169.3	-69.5	165.1	-177.5	0	0	111.9	R422 V423 R435 H470	R422-E426 WeakPolarHBondContact CD-OE1 3.45Å; R422-E426 HydrophobicContact CG-CG 4.39Å; R422-E426 VanDerWaalsContact CG-OE1 3.31Å; R422-E426 WeakPolarHBondContact CG-OE1 3.44Å; R422-E426 IonicContact CZ-OE1 3.12Å; R422-E426 IonicContact NE-OE1 2.69Å; R422-E426 PolarHBondContact NE-OE1 3.26Å; R422-E426 IonicContact NH2-OE1 2.98Å; R422-E426 WeakPolarHBondContact O-CG 3.39Å; R422-E426 PolarHBondContact O-N 2.81Å; V423-E426 WeakPolarHBondContact CA-OE2 3.44Å; E426-R435 PolarHBondContact O-NH1 3.48Å; E426-H470 HydrophobicContact CG-CB 4.11Å
427	S	92.4	Very high	92.7	Very high	64 Å²	64	69.6 Å²	69.6	45%	0.448	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	4.8	176.4	59	0	0	0	0	115.2	V423 F424 A425	V423-S427 VanDerWaalsContact O-CB 3.27Å; V423-S427 WeakPolarHBondContact O-CB 3.29Å; V423-S427 PolarHBondContact O-N 3.14Å; V423-S427 PolarHBondContact O-OG 2.81Å; F424-S427 WeakPolarHBondContact CA-OG 3.4Å; A425-S427 PolarHBondContact O-N 2.61Å
428	K	93.4	Very high	92.7	Very high	133 Å²	133	76.1 Å²	76.1	58%	0.578	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	-11.8	175.9	-70.8	-166.6	175.6	-156.5	0	115.2	F424 A425	F424-K428 HydrophobicContact CD1-CD 4.43Å; F424-K428 HydrophobicContact CE1-CD 3.96Å; F424-K428 HydrophobicContact CE2-CD 4.17Å; F424-K428 VanDerWaalsContact CE2-CE 3.5Å; F424-K428 HydrophobicContact CZ-CD 3.84Å; F424-K428 WeakPolarHBondContact O-CB 3.3Å; F424-K428 WeakPolarHBondContact O-CG 3.44Å; A425-K428 CarbonylContact O-C 3.55Å; A425-K428 PolarHBondContact O-N 2.66Å
429	C	93.8	Very high	92.9	Very high	14 Å²	14	78.5 Å²	78.5	10%	0.095	37%	0.368	C	S	.	.			trans	-55.8	144.5	172.4	-169.3	0	0	0	0	111.1	A425 T431 C432 R435 H470	A425-C429 WeakPolarHBondContact O-CB 3.35Å; A425-C429 PolarHBondContact O-N 3.43Å; C429-T431 PolarHBondContact SG-OG1 3.33Å; C429-C432 HydrophobicContact CB-CB 4.43Å; C429-C432 WeakPolarHBondContact CB-SG 3.42Å; C429-R435 VanDerWaalsContact O-CZ 3.31Å; C429-R435 PolarHBondContact O-NE 2.86Å; C429-R435 PolarHBondContact O-NH1 2.97Å; C429-H470 WeakPolarHBondContact CB-CE1 3.29Å; C429-H470 PolarHBondContact SG-CE1 2.73Å
430	L	92	Very high	93	Very high	138 Å²	138	75.8 Å²	75.8	72%	0.723	36%	0.358	S	S	*	.	S	Bend	trans	-101.5	-7.9	178.6	-61.1	179.9	0	0	0	113
431	T	93.8	Very high	93.1	Very high	28 Å²	28	70.9 Å²	70.9	17%	0.172	34%	0.338	C	S	.	.	S	Bend	trans	-105.4	-13.1	-177.5	57.2	0	0	0	0	112.9	C429 V436 F449 H520 Q522	C429-T431 PolarHBondContact SG-OG1 3.33Å; T431-V436 VanDerWaalsContact O-CG2 3.29Å; T431-V436 WeakPolarHBondContact O-CG2 3.37Å; T431-F449 WeakPolarHBondContact O-CZ 3.44Å; T431-H520 VanDerWaalsContact OG1-CB 3.25Å; T431-H520 WeakPolarHBondContact OG1-CB 3.3Å; T431-H520 VanDerWaalsContact OG1-CG 3.31Å; T431-H520 PolarHBondContact OG1-ND1 1.9Å; T431-Q522 VanDerWaalsContact CG2-CD 3.43Å; T431-Q522 HydrophobicContact CG2-CG 4.26Å; T431-Q522 VanDerWaalsContact CG2-OE1 3.29Å
432	C	94.5	Very high	93.1	Very high	11 Å²	11	66 Å²	66	7%	0.074	32%	0.322	C	S	.	.	S	Bend	trans	-62.9	138.1	168.7	-60	0	0	0	0	110.7	C429 E434 R435 V436 H470 H520	C429-C432 HydrophobicContact CB-CB 4.43Å; C429-C432 WeakPolarHBondContact CB-SG 3.42Å; C432-E434 PolarHBondContact O-N 2.8Å; C432-R435 PolarHBondContact O-N 3.35Å; C432-V436 PolarHBondContact O-N 3.45Å; C432-V436 VanDerWaalsContact O-N 3.11Å; C432-H470 PolarHBondContact SG-ND1 3.25Å; C432-H470 VanDerWaalsContact SG-ND1 3.36Å; C432-H520 PolarHBondContact N-ND1 3.26Å; C432-H520 PolarHBondContact SG-ND1 3.01Å
433	L	93.4	Very high	93.2	Very high	67 Å²	67	63.3 Å²	63.3	35%	0.351	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-40.8	-175.7	-174.7	70.2	0	0	0	114	R435 I441 L444 F449 Y468	L433-R435 PolarHBondContact O-N 3.34Å; L433-R435 VanDerWaalsContact O-N 3.13Å; L433-I441 HydrophobicContact CD1-CD1 3.66Å; L433-L444 HydrophobicContact CD1-CD2 4.03Å; L433-F449 HydrophobicContact CB-CE1 4.39Å; L433-F449 HydrophobicContact CD1-CD1 4.25Å; L433-F449 HydrophobicContact CD1-CD2 4.42Å; L433-F449 HydrophobicContact CD1-CE1 4.34Å; L433-F449 HydrophobicContact CD1-CG 4.29Å; L433-F449 HydrophobicContact CD1-CZ 4.46Å; L433-Y468 HydrophobicContact CB-CD1 4.19Å; L433-Y468 HydrophobicContact CD1-CD1 4.32Å; L433-Y468 HydrophobicContact CD1-CE1 4Å; L433-Y468 HydrophobicContact CD2-CD1 3.78Å; L433-Y468 HydrophobicContact CD2-CE1 3.74Å; L433-Y468 HydrophobicContact CG-CD1 4.32Å; L433-Y468 HydrophobicContact CG-CE1 4.35Å
434	E	91.4	Very high	93.3	Very high	161 Å²	161	65.1 Å²	65.1	75%	0.752	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.9	179.2	-60.8	-173.8	151.2	0	0	114.8	C432	C432-E434 PolarHBondContact O-N 2.8Å
435	R	91.8	Very high	93.2	Very high	81 Å²	81	61 Å²	61	31%	0.306	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-1.1	-173.9	-72	-173.8	-57.8	-69.6	162.9	114.6	E426 C429 C432 L433	E426-R435 PolarHBondContact O-NH1 3.48Å; C429-R435 VanDerWaalsContact O-CZ 3.31Å; C429-R435 PolarHBondContact O-NE 2.86Å; C429-R435 PolarHBondContact O-NH1 2.97Å; C432-R435 PolarHBondContact O-N 3.35Å; L433-R435 PolarHBondContact O-N 3.34Å; L433-R435 VanDerWaalsContact O-N 3.13Å
436	V	92.5	Very high	93.1	Very high	14 Å²	14	66.2 Å²	66.2	9%	0.085	33%	0.329	C	S	.	.	S	Bend	trans	-62.5	129.6	160.5	173.5	0	0	0	0	108.1	T431 C432 K438 I441 F449	T431-V436 VanDerWaalsContact O-CG2 3.29Å; T431-V436 WeakPolarHBondContact O-CG2 3.37Å; C432-V436 PolarHBondContact O-N 3.45Å; C432-V436 VanDerWaalsContact O-N 3.11Å; V436-K438 PolarHBondContact O-N 3.08Å; V436-K438 VanDerWaalsContact O-N 3.14Å; V436-I441 HydrophobicContact CG1-CD1 4.27Å; V436-I441 HydrophobicContact CG1-CG1 3.85Å; V436-F449 HydrophobicContact CG1-CE2 4.45Å; V436-F449 HydrophobicContact CG2-CE2 4.19Å; V436-F449 HydrophobicContact CG2-CZ 4.05Å
437	P	92.9	Very high	93.2	Very high	51 Å²	51	66.1 Å²	66.1	33%	0.331	33%	0.328	S	S	.	.			trans	-58.4	119.7	174.8	-22.9	32.1	0	0	0	110.5	Y439 L440	P437-Y439 HydrophobicContact CB-CD1 3.96Å; P437-Y439 HydrophobicContact CB-CE1 3.42Å; P437-Y439 VanDerWaalsContact CB-CE1 3.42Å; P437-Y439 HydrophobicContact CB-CE2 4.46Å; P437-Y439 PolarHBondContact O-N 3.23Å; P437-L440 HydrophobicContact CB-CD1 4.09Å; P437-L440 HydrophobicContact CB-CG 4.33Å; P437-L440 HydrophobicContact CG-CD1 3.98Å; P437-L440 WeakPolarHBondContact O-CB 3.44Å; P437-L440 PolarHBondContact O-N 2.82Å
438	K	92.8	Very high	93.3	Very high	185 Å²	185	63.1 Å²	63.1	80%	0.804	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-53	-32.6	-169.8	-63.6	-171.7	177.7	-171.5	0	114.5	V436 L440 I441	V436-K438 PolarHBondContact O-N 3.08Å; V436-K438 VanDerWaalsContact O-N 3.14Å; K438-L440 PolarHBondContact O-N 3.19Å; K438-I441 PolarHBondContact O-N 2.9Å
439	Y	93	Very high	93.4	Very high	97 Å²	97	56.8 Å²	56.8	38%	0.38	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-71.6	-3.9	178.3	67	-97.3	0	0	0	114.5	P437 F627 L630 V634	P437-Y439 HydrophobicContact CB-CD1 3.96Å; P437-Y439 HydrophobicContact CB-CE1 3.42Å; P437-Y439 VanDerWaalsContact CB-CE1 3.42Å; P437-Y439 HydrophobicContact CB-CE2 4.46Å; P437-Y439 PolarHBondContact O-N 3.23Å; Y439-F627 AromaticContact CD1-CE2 4Å; Y439-F627 HydrophobicContact CD1-CE2 4Å; Y439-F627 HydrophobicContact CD2-CE2 4.24Å; Y439-F627 HydrophobicContact CE1-CD2 4.36Å; Y439-F627 AromaticContact CE1-CE2 3.78Å; Y439-F627 HydrophobicContact CE1-CE2 3.78Å; Y439-F627 HydrophobicContact CE2-CD2 4.25Å; Y439-F627 HydrophobicContact CE2-CE2 4.06Å; Y439-F627 HydrophobicContact CG-CE2 4.24Å; Y439-F627 AromaticContact CZ-CE2 3.84Å; Y439-L630 HydrophobicContact CE2-CD2 3.83Å; Y439-L630 HydrophobicContact CE2-CG 4.08Å; Y439-V634 WeakPolarHBondContact O-CG1 3.38Å; Y439-V634 WeakPolarHBondContact O-CG2 3.45Å
440	L	94.7	Very high	93.5	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-98.4	-9.3	174.3	-65.7	176.8	0	0	0	113.1	P437 K438 S451 L452 L630 V634	P437-L440 HydrophobicContact CB-CD1 4.09Å; P437-L440 HydrophobicContact CB-CG 4.33Å; P437-L440 HydrophobicContact CG-CD1 3.98Å; P437-L440 WeakPolarHBondContact O-CB 3.44Å; P437-L440 PolarHBondContact O-N 2.82Å; K438-L440 PolarHBondContact O-N 3.19Å; L440-S451 CarbonylContact O-C 3.52Å; L440-S451 WeakPolarHBondContact O-CA 3.08Å; L440-S451 WeakPolarHBondContact O-CB 3.38Å; L440-L452 HydrophobicContact CD2-CB 4.34Å; L440-L452 PolarHBondContact O-N 2.88Å; L440-L630 HydrophobicContact CD2-CD1 3.67Å; L440-L630 HydrophobicContact CD2-CD2 4.02Å; L440-L630 HydrophobicContact CD2-CG 3.76Å; L440-V634 HydrophobicContact CD2-CG2 4.15Å
441	I	95	Very high	93.7	Very high	35 Å²	35	49.7 Å²	49.7	18%	0.179	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	126	178	-56.8	170.1	0	0	0	107.2	L433 V436 K438 L444 F449	L433-I441 HydrophobicContact CD1-CD1 3.66Å; V436-I441 HydrophobicContact CG1-CD1 4.27Å; V436-I441 HydrophobicContact CG1-CG1 3.85Å; K438-I441 PolarHBondContact O-N 2.9Å; I441-L444 HydrophobicContact CG2-CD2 3.7Å; I441-L444 HydrophobicContact CG2-CG 3.99Å; I441-F449 HydrophobicContact CG1-CD2 4.37Å; I441-F449 HydrophobicContact CG2-CD2 4.38Å
442	V	93.9	Very high	93.8	Very high	28 Å²	28	48.7 Å²	48.7	17%	0.17	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-45.8	-179.5	-175.7	0	0	0	0	110.5	L450 L452 F637 W641	V442-L450 HydrophobicContact CB-CD2 4.48Å; V442-L450 HydrophobicContact CB-CG 4.37Å; V442-L450 PolarHBondContact N-O 3.04Å; V442-L452 HydrophobicContact CG2-CD1 3.56Å; V442-L452 HydrophobicContact CG2-CG 4.02Å; V442-F637 HydrophobicContact CB-CD1 4.36Å; V442-F637 HydrophobicContact CB-CE1 4.44Å; V442-F637 HydrophobicContact CG1-CD1 3.81Å; V442-F637 HydrophobicContact CG1-CE1 4.02Å; V442-F637 HydrophobicContact CG2-CD1 3.84Å; V442-F637 HydrophobicContact CG2-CE1 4.19Å; V442-W641 HydrophobicContact CG1-CB 4.23Å; V442-W641 HydrophobicContact CG1-CG 4.05Å
443	S	93.8	Very high	93.8	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.028	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.7	179.6	-175.6	0	0	0	0	111.3	F449 L450 D645	S443-F449 WeakPolarHBondContact O-CB 3.36Å; S443-L450 PolarHBondContact N-O 2.86Å; S443-L450 PolarHBondContact O-N 3.49Å; S443-D645 WeakPolarHBondContact CB-OD2 3.47Å; S443-D645 PolarHBondContact OG-OD2 2.68Å
444	L	93.7	Very high	93.8	Very high	88 Å²	88	47.2 Å²	47.2	46%	0.461	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.7	-177.4	-71.1	171.3	0	0	0	108.8	L433 I441 F449 Y468	L433-L444 HydrophobicContact CD1-CD2 4.03Å; I441-L444 HydrophobicContact CG2-CD2 3.7Å; I441-L444 HydrophobicContact CG2-CG 3.99Å; L444-F449 HydrophobicContact CD2-CB 3.97Å; L444-Y468 HydrophobicContact CD2-CE1 4.14Å; L444-Y468 WeakPolarHBondContact CD2-OH 3.08Å
445	G	91.8	Very high	93.8	Very high	14 Å²	14	41 Å²	41	14%	0.144	20%	0.201	C	C	.	.			trans	-91.7	-161.5	170.3	0	0	0	0	0	112.8	V448 Y468 E484	G445-V448 WeakPolarHBondContact CA-O 3.24Å; G445-V448 PolarHBondContact N-O 3.36Å; G445-Y468 PolarHBondContact N-OH 2.89Å; G445-Y468 VanDerWaalsContact O-CE2 3.31Å; G445-Y468 WeakPolarHBondContact O-CE2 3.48Å; G445-Y468 PolarHBondContact O-OH 2.81Å; G445-E484 WeakPolarHBondContact CA-OE1 3.25Å
446	E	91.8	Very high	93.9	Very high	116 Å²	116	40.2 Å²	40.2	54%	0.542	20%	0.203	S	C	.	.	S	Bend	trans	-92	-39.9	179.1	-175.8	162.3	157.4	0	0	113.2	Y468 E484 W647 K651	E446-Y468 WeakPolarHBondContact O-CD2 3.48Å; E446-Y468 VanDerWaalsContact O-CE2 3.31Å; E446-Y468 WeakPolarHBondContact O-CE2 3.11Å; E446-E484 PolarHBondContact N-OE1 3.2Å; E446-W647 HydrophobicContact CB-CZ2 4.42Å; E446-K651 IonicContact OE2-NZ 3.33Å; E446-K651 PolarHBondContact OE2-NZ 2.87Å
447	K	94.2	Very high	93.8	Very high	56 Å²	56	40.8 Å²	40.8	24%	0.243	21%	0.207	C	C	.	.	S	Bend	trans	-118.3	-12.8	172.8	-66.6	-173.6	179	179.5	0	112.7	P467 Y468 D478 D480 A481 E484	K447-P467 CarbonylContact O-C 3.59Å; K447-P467 WeakPolarHBondContact O-CA 3.49Å; K447-Y468 VanDerWaalsContact C-CD2 3.45Å; K447-Y468 PolarHBondContact O-N 2.83Å; K447-D478 HydrophobicContact CD-CB 4.46Å; K447-D478 IonicContact NZ-OD2 2.94Å; K447-D478 PolarHBondContact NZ-OD2 2.84Å; K447-D480 HydrophobicContact CD-CB 4.23Å; K447-D480 IonicContact NZ-OD2 3.57Å; K447-D480 PolarHBondContact NZ-OD2 3.41Å; K447-A481 HydrophobicContact CB-CB 3.83Å; K447-A481 HydrophobicContact CD-CB 4.09Å; K447-E484 WeakPolarHBondContact CA-OE2 3.47Å; K447-E484 PolarHBondContact N-OE2 2.99Å
448	V	95.6	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151.3	-170.5	-177.7	0	0	0	0	111.3	G445 L465 T466 P467 A481 E484 I485	G445-V448 WeakPolarHBondContact CA-O 3.24Å; G445-V448 PolarHBondContact N-O 3.36Å; V448-L465 HydrophobicContact CG1-CB 4.45Å; V448-T466 WeakPolarHBondContact CA-O 3.4Å; V448-T466 WeakPolarHBondContact CG1-O 3.35Å; V448-P467 HydrophobicContact CG2-CB 4.41Å; V448-A481 HydrophobicContact CG2-CB 4.08Å; V448-E484 HydrophobicContact CB-CG 4.12Å; V448-E484 WeakPolarHBondContact CB-OE2 3.35Å; V448-E484 HydrophobicContact CG2-CG 4.43Å; V448-E484 WeakPolarHBondContact CG2-OE2 3.28Å; V448-E484 PolarHBondContact N-OE2 3.14Å; V448-I485 HydrophobicContact CG1-CG1 3.97Å; V448-I485 HydrophobicContact CG2-CD1 4.2Å; V448-I485 HydrophobicContact CG2-CG1 3.98Å
449	F	95.6	Very high	93.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153.3	174.1	66.2	-79.5	0	0	0	113.1	T431 L433 V436 I441 S443 L444 T466 Y468	T431-F449 WeakPolarHBondContact O-CZ 3.44Å; L433-F449 HydrophobicContact CB-CE1 4.39Å; L433-F449 HydrophobicContact CD1-CD1 4.25Å; L433-F449 HydrophobicContact CD1-CD2 4.42Å; L433-F449 HydrophobicContact CD1-CE1 4.34Å; L433-F449 HydrophobicContact CD1-CG 4.29Å; L433-F449 HydrophobicContact CD1-CZ 4.46Å; V436-F449 HydrophobicContact CG1-CE2 4.45Å; V436-F449 HydrophobicContact CG2-CE2 4.19Å; V436-F449 HydrophobicContact CG2-CZ 4.05Å; I441-F449 HydrophobicContact CG1-CD2 4.37Å; I441-F449 HydrophobicContact CG2-CD2 4.38Å; S443-F449 WeakPolarHBondContact O-CB 3.36Å; L444-F449 HydrophobicContact CD2-CB 3.97Å; F449-T466 WeakPolarHBondContact CD1-O 3.5Å; F449-T466 HydrophobicContact CE1-CG2 3.76Å; F449-T466 WeakPolarHBondContact CE1-O 3.37Å; F449-T466 HydrophobicContact CZ-CG2 3.72Å; F449-T466 PolarHBondContact N-O 2.93Å; F449-T466 PolarHBondContact O-N 2.63Å; F449-Y468 HydrophobicContact CB-CE1 3.75Å; F449-Y468 AromaticContact CD1-CD1 3.46Å; F449-Y468 HydrophobicContact CD1-CD1 3.46Å; F449-Y468 VanDerWaalsContact CD1-CD1 3.46Å; F449-Y468 AromaticContact CD1-CE1 3.45Å; F449-Y468 HydrophobicContact CD1-CE1 3.45Å; F449-Y468 VanDerWaalsContact CD1-CE1 3.45Å; F449-Y468 HydrophobicContact CE1-CD1 4.04Å; F449-Y468 HydrophobicContact CE1-CE1 4.39Å; F449-Y468 HydrophobicContact CG-CD1 4.37Å; F449-Y468 AromaticContact CG-CE1 3.93Å; F449-Y468 HydrophobicContact CG-CE1 3.93Å
450	L	96	Very high	93.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.2	175.7	178	60.7	0	0	0	109.7	V442 S443 C463 L465 F488 L492 F637 W641	V442-L450 HydrophobicContact CB-CD2 4.48Å; V442-L450 HydrophobicContact CB-CG 4.37Å; V442-L450 PolarHBondContact N-O 3.04Å; S443-L450 PolarHBondContact N-O 2.86Å; S443-L450 PolarHBondContact O-N 3.49Å; L450-C463 HydrophobicContact CD1-CB 3.92Å; L450-L465 HydrophobicContact CB-CD2 4.06Å; L450-L465 HydrophobicContact CD1-CD2 3.78Å; L450-L465 HydrophobicContact CD1-CG 4.41Å; L450-L465 HydrophobicContact CG-CD2 4.49Å; L450-F488 HydrophobicContact CB-CE1 4.36Å; L450-L492 HydrophobicContact CD1-CD1 4.3Å; L450-L492 HydrophobicContact CD2-CD2 4.37Å; L450-F637 HydrophobicContact CD2-CE1 3.98Å; L450-F637 HydrophobicContact CD2-CZ 4.37Å; L450-W641 HydrophobicContact CD2-CD2 3.8Å; L450-W641 HydrophobicContact CD2-CE3 4.16Å; L450-W641 HydrophobicContact CD2-CG 4.37Å; L450-W641 HydrophobicContact CD2-CH2 4.13Å; L450-W641 HydrophobicContact CD2-CZ2 3.79Å; L450-W641 HydrophobicContact CD2-CZ3 4.31Å
451	S	95.8	Very high	93.4	Very high	4 Å²	4	31 Å²	31	3%	0.028	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	161.4	-179.4	61.4	0	0	0	0	113.3	L440 L464	L440-S451 CarbonylContact O-C 3.52Å; L440-S451 WeakPolarHBondContact O-CA 3.08Å; L440-S451 WeakPolarHBondContact O-CB 3.38Å; S451-L464 PolarHBondContact N-O 3.27Å; S451-L464 PolarHBondContact O-N 2.87Å; S451-L464 PolarHBondContact OG-O 2.83Å
452	L	95.4	Very high	93.4	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	17%	0.168	C	C	.	.			trans	-102.1	144.4	176.7	-73.9	150.8	0	0	0	110.9	L440 V442 C463 V634 F637	L440-L452 HydrophobicContact CD2-CB 4.34Å; L440-L452 PolarHBondContact O-N 2.88Å; V442-L452 HydrophobicContact CG2-CD1 3.56Å; V442-L452 HydrophobicContact CG2-CG 4.02Å; L452-C463 HydrophobicContact CD2-CB 4.39Å; L452-V634 HydrophobicContact CD1-CB 4.05Å; L452-V634 HydrophobicContact CD1-CG1 4.37Å; L452-V634 HydrophobicContact CD1-CG2 3.59Å; L452-F637 HydrophobicContact CD1-CB 4.1Å; L452-F637 HydrophobicContact CD1-CD1 4.47Å; L452-F637 HydrophobicContact CD1-CG 4.3Å; L452-F637 HydrophobicContact CD2-CB 4.39Å; L452-F637 HydrophobicContact CD2-CD2 4.09Å; L452-F637 HydrophobicContact CD2-CG 4.14Å
453	P	94.5	Very high	93.5	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.019	16%	0.16	C	C	.	.			trans	-67.7	136.3	174.8	28.1	-34.7	0	0	0	111.6	H455 S457 Y462 L464 K633	P453-H455 PolarHBondContact O-N 2.91Å; P453-H455 VanDerWaalsContact O-N 3.11Å; P453-S457 WeakPolarHBondContact CG-OG 3.49Å; P453-Y462 HydrophobicContact CB-CE1 4.22Å; P453-Y462 VanDerWaalsContact CD-O 3.24Å; P453-Y462 WeakPolarHBondContact CD-O 3.42Å; P453-Y462 HydrophobicContact CG-CD1 3.67Å; P453-Y462 HydrophobicContact CG-CE1 3.79Å; P453-Y462 HydrophobicContact CG-CG 4.35Å; P453-L464 HydrophobicContact CB-CD1 4.24Å; P453-K633 PolarHBondContact O-NZ 2.9Å
454	S	92.8	Very high	93.6	Very high	44 Å²	44	28.7 Å²	28.7	31%	0.308	16%	0.162	S	C	.	.	S	Bend	trans	-69.5	1.9	174.6	57.4	0	0	0	0	115	E625	S454-E625 PolarHBondContact O-N 2.95Å; S454-E625 VanDerWaalsContact O-N 3.14Å
455	H	92.9	Very high	93.7	Very high	31 Å²	31	24.6 Å²	24.6	14%	0.144	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-123.1	156	-173.4	63.8	-103.3	0	0	0	111.6	P453 S457 Y462 P622 K623 K633	P453-H455 PolarHBondContact O-N 2.91Å; P453-H455 VanDerWaalsContact O-N 3.11Å; H455-S457 PolarHBondContact O-N 3.04Å; H455-S457 VanDerWaalsContact O-N 3.16Å; H455-S457 PolarHBondContact O-OG 3.11Å; H455-Y462 AromaticContact NE2-CE1 3.86Å; H455-P622 HydrophobicContact CB-CB 3.93Å; H455-P622 HydrophobicContact CB-CG 4.13Å; H455-P622 VanDerWaalsContact CD2-CB 3.48Å; H455-P622 WeakPolarHBondContact CD2-CB 3.46Å; H455-K623 WeakPolarHBondContact CA-O 3.12Å; H455-K623 WeakPolarHBondContact CB-O 3.44Å; H455-K633 PolarHBondContact O-NZ 3Å
456	I	93.1	Very high	94	Very high	65 Å²	65	24 Å²	24	33%	0.333	13%	0.134	S	C	.	.			trans	-55.6	121.6	-178.5	-59.5	173.8	0	0	0	109.1	L618 K623 E625	I456-L618 HydrophobicContact CB-CD2 4.37Å; I456-L618 HydrophobicContact CG2-CD2 3.86Å; I456-K623 HydrophobicContact CD1-CB 4.18Å; I456-K623 PolarHBondContact N-O 2.99Å; I456-E625 HydrophobicContact CG1-CB 4.15Å; I456-E625 HydrophobicContact CG1-CG 4.36Å
457	S	91.4	Very high	94.2	Very high	26 Å²	26	18.6 Å²	18.6	18%	0.182	11%	0.109	C	C	.	.			trans	-89	145.3	-169.9	-59.4	0	0	0	0	112.4	P453 H455 K633	P453-S457 WeakPolarHBondContact CG-OG 3.49Å; H455-S457 PolarHBondContact O-N 3.04Å; H455-S457 VanDerWaalsContact O-N 3.16Å; H455-S457 PolarHBondContact O-OG 3.11Å; S457-K633 WeakPolarHBondContact OG-CE 3.48Å; S457-K633 PolarHBondContact OG-NZ 3.14Å
458	M	90.1	Very high	94.2	Very high	12 Å²	12	18.9 Å²	18.9	6%	0.059	11%	0.109	C	C	.	.	S	Bend	trans	-68.9	-34.1	-179.9	-72.8	163.2	38.2	0	0	113.2	R605 I608 A609 L618 W619	M458-R605 HydrophobicContact CE-CB 4.37Å; M458-R605 HydrophobicContact CE-CG 4.22Å; M458-R605 WeakPolarHBondContact CE-O 3.49Å; M458-R605 HydrophobicContact SD-CB 3.99Å; M458-R605 HydrophobicContact SD-CG 3.79Å; M458-I608 HydrophobicContact CE-CB 4.32Å; M458-I608 HydrophobicContact CE-CG2 4.05Å; M458-A609 HydrophobicContact CE-CB 3.57Å; M458-A609 HydrophobicContact SD-CB 4.15Å; M458-L618 HydrophobicContact CG-CB 3.91Å; M458-W619 HydrophobicContact SD-CB 3.92Å
459	T	90.6	Very high	94.1	Very high	13 Å²	13	23.9 Å²	23.9	8%	0.08	13%	0.132	C	C	.	.	S	Bend	trans	-133.3	149.7	175.1	55.5	0	0	0	0	109.9	Y462 P527 L612	T459-Y462 WeakPolarHBondContact O-CB 3.31Å; T459-Y462 PolarHBondContact O-N 3.31Å; T459-P527 PolarHBondContact OG1-O 3.29Å; T459-L612 HydrophobicContact CG2-CD1 3.55Å
460	P	90.5	Very high	94	Very high	95 Å²	95	25.4 Å²	25.4	62%	0.617	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	142.3	169.5	30.6	-35.4	0	0	0	109.5	Y462 Y500 P527	P460-Y462 VanDerWaalsContact C-N 3.35Å; P460-Y500 HydrophobicContact CB-CE1 4.02Å; P460-Y500 HydrophobicContact CG-CD1 4.49Å; P460-Y500 HydrophobicContact CG-CE1 3.95Å; P460-P527 WeakPolarHBondContact O-CG 3.28Å
461	G	92.2	Very high	93.8	Very high	12 Å²	12	26.4 Å²	26.4	12%	0.124	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-3.5	-175.5	0	0	0	0	0	115.5	C463 F496	G461-C463 PolarHBondContact O-N 3.38Å; G461-F496 VanDerWaalsContact O-CZ 3.27Å; G461-F496 WeakPolarHBondContact O-CZ 3.29Å
462	Y	95.1	Very high	93.5	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.02	15%	0.146	C	C	.	.			trans	-59	118.9	173.6	173.6	-141.1	0	0	0	111.6	P453 H455 T459 P460 L464 E524 C525 I526 R605	P453-Y462 HydrophobicContact CB-CE1 4.22Å; P453-Y462 VanDerWaalsContact CD-O 3.24Å; P453-Y462 WeakPolarHBondContact CD-O 3.42Å; P453-Y462 HydrophobicContact CG-CD1 3.67Å; P453-Y462 HydrophobicContact CG-CE1 3.79Å; P453-Y462 HydrophobicContact CG-CG 4.35Å; H455-Y462 AromaticContact NE2-CE1 3.86Å; T459-Y462 WeakPolarHBondContact O-CB 3.31Å; T459-Y462 PolarHBondContact O-N 3.31Å; P460-Y462 VanDerWaalsContact C-N 3.35Å; Y462-L464 HydrophobicContact CE2-CD2 4.02Å; Y462-E524 HydrophobicContact CE2-CB 4.01Å; Y462-E524 HydrophobicContact CE2-CG 4.31Å; Y462-E524 VanDerWaalsContact OH-CD 3.3Å; Y462-E524 PolarHBondContact OH-OE2 2.73Å; Y462-C525 WeakPolarHBondContact CA-O 3.29Å; Y462-C525 WeakPolarHBondContact CD2-O 3.39Å; Y462-I526 HydrophobicContact CD2-CB 4.49Å; Y462-I526 HydrophobicContact CD2-CD1 4.49Å; Y462-I526 HydrophobicContact CD2-CG1 3.5Å; Y462-I526 HydrophobicContact CE2-CD1 4.24Å; Y462-I526 HydrophobicContact CE2-CG1 3.65Å; Y462-I526 HydrophobicContact CG-CG1 4.4Å; Y462-R605 PolarHBondContact OH-NE 2.87Å
463	C	95.9	Very high	93.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	173	-177.1	54.3	0	0	0	0	112	L450 L452 G461 C525 F637	L450-C463 HydrophobicContact CD1-CB 3.92Å; L452-C463 HydrophobicContact CD2-CB 4.39Å; G461-C463 PolarHBondContact O-N 3.38Å; C463-C525 PolarHBondContact N-O 3.32Å; C463-C525 VanDerWaalsContact N-O 3.11Å; C463-C525 WeakPolarHBondContact O-CB 3.45Å; C463-C525 PolarHBondContact O-N 3.03Å; C463-C525 VanDerWaalsContact SG-CB 3.59Å; C463-F637 HydrophobicContact CB-CE2 4.11Å; C463-F637 HydrophobicContact CB-CZ 3.99Å
464	L	96.5	Very high	93.4	Very high	13 Å²	13	26.4 Å²	26.4	7%	0.068	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	123.8	-170.6	-55.6	174.5	0	0	0	110.2	S451 P453 Y462 E524	S451-L464 PolarHBondContact N-O 3.27Å; S451-L464 PolarHBondContact O-N 2.87Å; S451-L464 PolarHBondContact OG-O 2.83Å; P453-L464 HydrophobicContact CB-CD1 4.24Å; Y462-L464 HydrophobicContact CE2-CD2 4.02Å; L464-E524 HydrophobicContact CD2-CB 4.4Å; L464-E524 HydrophobicContact CD2-CG 3.81Å
465	L	96.8	Very high	93.4	Very high	2 Å²	2	25 Å²	25	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.7	166.8	-66	171.2	0	0	0	109.4	V448 L450 F488 K489 L492 Q522 V523	V448-L465 HydrophobicContact CG1-CB 4.45Å; L450-L465 HydrophobicContact CB-CD2 4.06Å; L450-L465 HydrophobicContact CD1-CD2 3.78Å; L450-L465 HydrophobicContact CD1-CG 4.41Å; L450-L465 HydrophobicContact CG-CD2 4.49Å; L465-F488 HydrophobicContact CD1-CB 3.74Å; L465-F488 HydrophobicContact CD2-CB 3.58Å; L465-F488 HydrophobicContact CD2-CD1 4.18Å; L465-F488 HydrophobicContact CD2-CD2 4.12Å; L465-F488 HydrophobicContact CD2-CG 3.72Å; L465-F488 HydrophobicContact CG-CB 4.33Å; L465-K489 HydrophobicContact CD1-CG 4.19Å; L465-L492 HydrophobicContact CD1-CD1 4.2Å; L465-L492 HydrophobicContact CG-CD1 4.41Å; L465-Q522 WeakPolarHBondContact O-CA 3.45Å; L465-V523 HydrophobicContact CB-CB 4.31Å; L465-V523 PolarHBondContact N-O 3.12Å; L465-V523 PolarHBondContact O-N 3.04Å
466	T	96.6	Very high	93.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.5	-174	-52.6	0	0	0	0	110	V448 F449 Q522	V448-T466 WeakPolarHBondContact CA-O 3.4Å; V448-T466 WeakPolarHBondContact CG1-O 3.35Å; F449-T466 WeakPolarHBondContact CD1-O 3.5Å; F449-T466 HydrophobicContact CE1-CG2 3.76Å; F449-T466 WeakPolarHBondContact CE1-O 3.37Å; F449-T466 HydrophobicContact CZ-CG2 3.72Å; F449-T466 PolarHBondContact N-O 2.93Å; F449-T466 PolarHBondContact O-N 2.63Å; T466-Q522 HydrophobicContact CG2-CG 4.15Å; T466-Q522 PolarHBondContact OG1-NE2 2.83Å
467	P	96.4	Very high	93.2	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.026	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	153.4	173.5	29.1	-31.6	0	0	0	111	K447 V448 E469 L477 H520 T521	K447-P467 CarbonylContact O-C 3.59Å; K447-P467 WeakPolarHBondContact O-CA 3.49Å; V448-P467 HydrophobicContact CG2-CB 4.41Å; P467-E469 VanDerWaalsContact C-N 3.33Å; P467-L477 HydrophobicContact CB-CD1 4.45Å; P467-L477 HydrophobicContact CB-CD2 3.9Å; P467-L477 HydrophobicContact CG-CD1 4.37Å; P467-L477 HydrophobicContact CG-CD2 3.98Å; P467-H520 PolarHBondContact O-CE1 2.8Å; P467-H520 VanDerWaalsContact O-CE1 3.27Å; P467-H520 PolarHBondContact O-NE2 3.46Å; P467-T521 WeakPolarHBondContact CD-O 3.41Å; P467-T521 HydrophobicContact CG-CG2 3.82Å
468	Y	94.9	Very high	93.3	Very high	62 Å²	62	25.5 Å²	25.5	24%	0.243	13%	0.133	C	C	.	.	S	Bend	trans	-67	-37	172.7	-64	-43.7	0	0	0	111.9	L433 L444 G445 E446 K447 F449	L433-Y468 HydrophobicContact CB-CD1 4.19Å; L433-Y468 HydrophobicContact CD1-CD1 4.32Å; L433-Y468 HydrophobicContact CD1-CE1 4Å; L433-Y468 HydrophobicContact CD2-CD1 3.78Å; L433-Y468 HydrophobicContact CD2-CE1 3.74Å; L433-Y468 HydrophobicContact CG-CD1 4.32Å; L433-Y468 HydrophobicContact CG-CE1 4.35Å; L444-Y468 HydrophobicContact CD2-CE1 4.14Å; L444-Y468 WeakPolarHBondContact CD2-OH 3.08Å; G445-Y468 PolarHBondContact N-OH 2.89Å; G445-Y468 VanDerWaalsContact O-CE2 3.31Å; G445-Y468 WeakPolarHBondContact O-CE2 3.48Å; G445-Y468 PolarHBondContact O-OH 2.81Å; E446-Y468 WeakPolarHBondContact O-CD2 3.48Å; E446-Y468 VanDerWaalsContact O-CE2 3.31Å; E446-Y468 WeakPolarHBondContact O-CE2 3.11Å; K447-Y468 VanDerWaalsContact C-CD2 3.45Å; K447-Y468 PolarHBondContact O-N 2.83Å; F449-Y468 HydrophobicContact CB-CE1 3.75Å; F449-Y468 AromaticContact CD1-CD1 3.46Å; F449-Y468 HydrophobicContact CD1-CD1 3.46Å; F449-Y468 VanDerWaalsContact CD1-CD1 3.46Å; F449-Y468 AromaticContact CD1-CE1 3.45Å; F449-Y468 HydrophobicContact CD1-CE1 3.45Å; F449-Y468 VanDerWaalsContact CD1-CE1 3.45Å; F449-Y468 HydrophobicContact CE1-CD1 4.04Å; F449-Y468 HydrophobicContact CE1-CE1 4.39Å; F449-Y468 HydrophobicContact CG-CD1 4.37Å; F449-Y468 AromaticContact CG-CE1 3.93Å; F449-Y468 HydrophobicContact CG-CE1 3.93Å
469	E	92.8	Very high	93.4	Very high	104 Å²	104	30.4 Å²	30.4	49%	0.486	16%	0.156	S	C	.	.	S	Bend	trans	-73.6	137.9	178.1	-57.6	-167.1	143.8	0	0	111.5	P467 I471 H520	P467-E469 VanDerWaalsContact C-N 3.33Å; E469-I471 HydrophobicContact CB-CD1 3.92Å; E469-I471 HydrophobicContact CB-CG1 4.1Å; E469-I471 PolarHBondContact O-N 2.7Å; E469-I471 VanDerWaalsContact OE2-CD1 3.27Å; E469-I471 WeakPolarHBondContact OE2-CD1 3.46Å; E469-H520 PolarHBondContact O-NE2 2.91Å
470	H	93.2	Very high	93.6	Very high	32 Å²	32	33.5 Å²	33.5	15%	0.148	17%	0.172	C	C	.	.			trans	-77.8	65.8	179.5	-175.5	80	0	0	0	110.8	E426 C429 C432 V517 R518 H520	E426-H470 HydrophobicContact CG-CB 4.11Å; C429-H470 WeakPolarHBondContact CB-CE1 3.29Å; C429-H470 PolarHBondContact SG-CE1 2.73Å; C432-H470 PolarHBondContact SG-ND1 3.25Å; C432-H470 VanDerWaalsContact SG-ND1 3.36Å; H470-V517 PolarHBondContact NE2-O 3.35Å; H470-R518 VanDerWaalsContact CE1-C 3.49Å; H470-R518 PolarHBondContact CE1-O 3.13Å; H470-R518 WeakPolarHBondContact NE2-CA 3.32Å; H470-R518 PolarHBondContact NE2-N 2.83Å; H470-H520 AromaticContact ND1-CG 3.89Å; H470-H520 AromaticContact ND1-ND1 3.79Å
471	I	91.7	Very high	93.8	Very high	22 Å²	22	29.2 Å²	29.2	11%	0.113	15%	0.145	C	C	.	.			trans	-102.5	143	179.3	-69.8	172.3	0	0	0	109.5	E469 S473 R476 L477 H520 T521	E469-I471 HydrophobicContact CB-CD1 3.92Å; E469-I471 HydrophobicContact CB-CG1 4.1Å; E469-I471 PolarHBondContact O-N 2.7Å; E469-I471 VanDerWaalsContact OE2-CD1 3.27Å; E469-I471 WeakPolarHBondContact OE2-CD1 3.46Å; I471-S473 WeakPolarHBondContact CG2-O 3.44Å; I471-R476 HydrophobicContact CG2-CB 3.73Å; I471-L477 HydrophobicContact CB-CD2 3.9Å; I471-L477 HydrophobicContact CD1-CD2 3.86Å; I471-L477 HydrophobicContact CG1-CD2 4.45Å; I471-L477 HydrophobicContact CG2-CD2 3.87Å; I471-L477 HydrophobicContact CG2-CG 4.35Å; I471-H520 CarbonylContact O-C 3.58Å; I471-H520 WeakPolarHBondContact O-CA 3.34Å; I471-T521 PolarHBondContact O-N 3.05Å
472	S	91.2	Very high	93.9	Very high	8 Å²	8	28.7 Å²	28.7	6%	0.056	14%	0.139	C	C	.	.	S	Bend	trans	-88.4	-17.6	-164.8	45.6	0	0	0	0	115.8	R476 P514 H519	S472-R476 PolarHBondContact OG-NH1 3.48Å; S472-R476 VanDerWaalsContact OG-NH1 3.16Å; S472-P514 WeakPolarHBondContact CB-O 3.31Å; S472-P514 PolarHBondContact OG-O 2.61Å; S472-H519 WeakPolarHBondContact CA-O 3.36Å
473	S	92.4	Very high	93.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.			trans	-155.1	149.5	179.3	61	0	0	0	0	111.1	I471 T475 R476 E509	I471-S473 WeakPolarHBondContact CG2-O 3.44Å; S473-T475 WeakPolarHBondContact CB-OG1 3.37Å; S473-T475 PolarHBondContact O-N 3.26Å; S473-T475 PolarHBondContact OG-OG1 3.08Å; S473-R476 PolarHBondContact O-N 3.17Å; S473-R476 VanDerWaalsContact O-N 3.09Å; S473-E509 WeakPolarHBondContact CA-OE1 3.26Å
474	T	93.6	Very high	93.7	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.031	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-62.8	-27.4	177.1	62.5	0	0	0	0	112.2	R476 L477 E509 T521 V523 Y568 Y577	T474-R476 PolarHBondContact O-N 2.96Å; T474-L477 HydrophobicContact CG2-CD1 4.03Å; T474-L477 PolarHBondContact O-N 2.84Å; T474-E509 WeakPolarHBondContact CB-OE2 3.42Å; T474-E509 WeakPolarHBondContact CG2-OE1 3.39Å; T474-E509 WeakPolarHBondContact CG2-OE2 3.35Å; T474-E509 PolarHBondContact N-OE1 3.26Å; T474-E509 PolarHBondContact OG1-OE2 2.85Å; T474-T521 HydrophobicContact CG2-CG2 4.4Å; T474-V523 HydrophobicContact CG2-CG2 3.98Å; T474-Y568 WeakPolarHBondContact O-CD2 3.49Å; T474-Y577 PolarHBondContact N-OH 2.79Å; T474-Y577 PolarHBondContact OG1-OH 3.25Å
475	T	92.9	Very high	93.6	Very high	15 Å²	15	33 Å²	33	9%	0.092	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-59.4	-10.6	173.1	54.5	0	0	0	0	114.9	S473 A567 I571 Y577	S473-T475 WeakPolarHBondContact CB-OG1 3.37Å; S473-T475 PolarHBondContact O-N 3.26Å; S473-T475 PolarHBondContact OG-OG1 3.08Å; T475-A567 HydrophobicContact CG2-CB 3.77Å; T475-I571 HydrophobicContact CG2-CB 4.1Å; T475-I571 VanDerWaalsContact CG2-O 3.23Å; T475-I571 WeakPolarHBondContact CG2-O 3.18Å; T475-Y577 HydrophobicContact CG2-CE1 3.73Å
476	R	91.2	Very high	93.5	Very high	47 Å²	47	37.2 Å²	37.2	18%	0.177	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-114.6	7.1	176.9	-67.3	-176.6	63.3	-120.2	-13.9	114	L312 G316 I471 S472 S473 T474 P573	L312-R476 VanDerWaalsContact CD2-NH2 3.3Å; G316-R476 PolarHBondContact O-NE 3.21Å; G316-R476 PolarHBondContact O-NH2 2.79Å; I471-R476 HydrophobicContact CG2-CB 3.73Å; S472-R476 PolarHBondContact OG-NH1 3.48Å; S472-R476 VanDerWaalsContact OG-NH1 3.16Å; S473-R476 PolarHBondContact O-N 3.17Å; S473-R476 VanDerWaalsContact O-N 3.09Å; T474-R476 PolarHBondContact O-N 2.96Å; R476-P573 HydrophobicContact CG-CB 3.84Å
477	L	91.9	Very high	93.3	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.042	19%	0.185	C	C	.	.	S	Bend	trans	-84.7	151.3	177.3	-67.3	176	0	0	0	112	P467 I471 T474 A481 I482 I485 T521 Y568	P467-L477 HydrophobicContact CB-CD1 4.45Å; P467-L477 HydrophobicContact CB-CD2 3.9Å; P467-L477 HydrophobicContact CG-CD1 4.37Å; P467-L477 HydrophobicContact CG-CD2 3.98Å; I471-L477 HydrophobicContact CB-CD2 3.9Å; I471-L477 HydrophobicContact CD1-CD2 3.86Å; I471-L477 HydrophobicContact CG1-CD2 4.45Å; I471-L477 HydrophobicContact CG2-CD2 3.87Å; I471-L477 HydrophobicContact CG2-CG 4.35Å; T474-L477 HydrophobicContact CG2-CD1 4.03Å; T474-L477 PolarHBondContact O-N 2.84Å; L477-A481 HydrophobicContact CB-CB 4.31Å; L477-I482 HydrophobicContact CB-CD1 4.09Å; L477-I482 HydrophobicContact CB-CG1 4.12Å; L477-I482 HydrophobicContact CD1-CD1 4.12Å; L477-I485 HydrophobicContact CD1-CD1 3.81Å; L477-T521 HydrophobicContact CD1-CG2 4.41Å; L477-Y568 WeakPolarHBondContact O-CE2 3.01Å
478	D	92.5	Very high	93.2	Very high	77 Å²	77	39.6 Å²	39.6	41%	0.412	18%	0.184	S	C	.	.			trans	-53.2	147.9	166.2	-78.1	-3.6	0	0	0	112.3	K447 D480 A481 I482	K447-D478 HydrophobicContact CD-CB 4.46Å; K447-D478 IonicContact NZ-OD2 2.94Å; K447-D478 PolarHBondContact NZ-OD2 2.84Å; D478-D480 PolarHBondContact O-N 3.41Å; D478-D480 VanDerWaalsContact O-N 3.13Å; D478-A481 PolarHBondContact O-N 3.43Å; D478-I482 WeakPolarHBondContact O-CG1 3.35Å; D478-I482 PolarHBondContact O-N 3.39Å; D478-I482 VanDerWaalsContact O-N 3.13Å
479	E	93	Very high	93.2	Very high	115 Å²	115	36.9 Å²	36.9	54%	0.537	17%	0.174	S	C	.	.	H	α-helix	trans	-53.2	-35.9	173.4	-70.8	-165.3	173.8	0	0	113.2	I482 K483	E479-I482 CarbonylContact O-C 3.57Å; E479-I482 WeakPolarHBondContact O-CB 3.49Å; E479-I482 PolarHBondContact O-N 3.45Å; E479-K483 VanDerWaalsContact O-CG 3.25Å; E479-K483 WeakPolarHBondContact O-CG 3.25Å; E479-K483 PolarHBondContact O-N 3.38Å; E479-K483 WeakPolarHBondContact OE2-CE 3.33Å; E479-K483 IonicContact OE2-NZ 3.97Å; E479-K483 PolarHBondContact OE2-NZ 2.7Å
480	D	94.5	Very high	93.3	Very high	78 Å²	78	38.7 Å²	38.7	42%	0.417	18%	0.177	S	C	.	.	H	α-helix	trans	-73.9	-36.1	-175.8	-45.9	-47.3	0	0	0	112.4	K447 D478 I482 K483 E484	K447-D480 HydrophobicContact CD-CB 4.23Å; K447-D480 IonicContact NZ-OD2 3.57Å; K447-D480 PolarHBondContact NZ-OD2 3.41Å; D478-D480 PolarHBondContact O-N 3.41Å; D478-D480 VanDerWaalsContact O-N 3.13Å; D480-I482 PolarHBondContact O-N 3.12Å; D480-K483 PolarHBondContact O-N 3.04Å; D480-K483 IonicContact OD1-NZ 2.91Å; D480-K483 PolarHBondContact OD1-NZ 3.38Å; D480-E484 WeakPolarHBondContact O-CB 3.43Å; D480-E484 PolarHBondContact O-N 2.93Å
481	A	94	Very high	93.3	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-35.1	169.9	0	0	0	0	0	110.6	K447 V448 L477 D478 I485	K447-A481 HydrophobicContact CB-CB 3.83Å; K447-A481 HydrophobicContact CD-CB 4.09Å; V448-A481 HydrophobicContact CG2-CB 4.08Å; L477-A481 HydrophobicContact CB-CB 4.31Å; D478-A481 PolarHBondContact O-N 3.43Å; A481-I485 WeakPolarHBondContact O-CB 3.24Å; A481-I485 WeakPolarHBondContact O-CD1 3.46Å; A481-I485 VanDerWaalsContact O-CG1 3.25Å; A481-I485 WeakPolarHBondContact O-CG1 3.39Å; A481-I485 PolarHBondContact O-N 3.25Å
482	I	94.7	Very high	93.4	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-71.6	-39.2	174.1	-62.7	-67.2	0	0	0	112	L477 D478 E479 D480 E484 I485 R486 Y568	L477-I482 HydrophobicContact CB-CD1 4.09Å; L477-I482 HydrophobicContact CB-CG1 4.12Å; L477-I482 HydrophobicContact CD1-CD1 4.12Å; D478-I482 WeakPolarHBondContact O-CG1 3.35Å; D478-I482 PolarHBondContact O-N 3.39Å; D478-I482 VanDerWaalsContact O-N 3.13Å; E479-I482 CarbonylContact O-C 3.57Å; E479-I482 WeakPolarHBondContact O-CB 3.49Å; E479-I482 PolarHBondContact O-N 3.45Å; D480-I482 PolarHBondContact O-N 3.12Å; I482-E484 VanDerWaalsContact C-N 3.33Å; I482-I485 HydrophobicContact CD1-CD1 4.39Å; I482-I485 PolarHBondContact O-N 3.12Å; I482-R486 VanDerWaalsContact CG2-NH2 3.34Å; I482-R486 VanDerWaalsContact O-CG 3.28Å; I482-R486 WeakPolarHBondContact O-CG 3.44Å; I482-R486 PolarHBondContact O-N 3.13Å; I482-Y568 HydrophobicContact CD1-CD2 3.93Å; I482-Y568 HydrophobicContact CD1-CG 4.07Å; I482-Y568 HydrophobicContact CG1-CD2 3.69Å; I482-Y568 HydrophobicContact CG1-CE2 4.04Å; I482-Y568 HydrophobicContact CG1-CG 3.94Å; I482-Y568 HydrophobicContact CG2-CD1 4.18Å; I482-Y568 HydrophobicContact CG2-CG 4.19Å
483	K	93.8	Very high	93.5	Very high	99 Å²	99	37.5 Å²	37.5	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-59.9	-44.4	172.9	-69.9	161.2	-156.2	154.7	0	110.3	E479 D480 R486 H487	E479-K483 VanDerWaalsContact O-CG 3.25Å; E479-K483 WeakPolarHBondContact O-CG 3.25Å; E479-K483 PolarHBondContact O-N 3.38Å; E479-K483 WeakPolarHBondContact OE2-CE 3.33Å; E479-K483 IonicContact OE2-NZ 3.97Å; E479-K483 PolarHBondContact OE2-NZ 2.7Å; D480-K483 PolarHBondContact O-N 3.04Å; D480-K483 IonicContact OD1-NZ 2.91Å; D480-K483 PolarHBondContact OD1-NZ 3.38Å; K483-R486 PolarHBondContact O-N 2.83Å; K483-H487 PolarHBondContact O-N 3.47Å; K483-H487 VanDerWaalsContact O-N 3.11Å
484	E	94	Very high	93.5	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.014	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-45.4	176.1	-177.6	168.7	-128.3	0	0	112.5	G445 E446 K447 V448 D480 I482 R486 H487 F488 W647	G445-E484 WeakPolarHBondContact CA-OE1 3.25Å; E446-E484 PolarHBondContact N-OE1 3.2Å; K447-E484 WeakPolarHBondContact CA-OE2 3.47Å; K447-E484 PolarHBondContact N-OE2 2.99Å; V448-E484 HydrophobicContact CB-CG 4.12Å; V448-E484 WeakPolarHBondContact CB-OE2 3.35Å; V448-E484 HydrophobicContact CG2-CG 4.43Å; V448-E484 WeakPolarHBondContact CG2-OE2 3.28Å; V448-E484 PolarHBondContact N-OE2 3.14Å; D480-E484 WeakPolarHBondContact O-CB 3.43Å; D480-E484 PolarHBondContact O-N 2.93Å; I482-E484 VanDerWaalsContact C-N 3.33Å; E484-R486 VanDerWaalsContact C-N 3.3Å; E484-R486 PolarHBondContact O-N 3.31Å; E484-H487 WeakPolarHBondContact O-CB 3.44Å; E484-H487 PolarHBondContact O-N 2.8Å; E484-F488 HydrophobicContact CG-CD2 3.87Å; E484-F488 HydrophobicContact CG-CE2 3.65Å; E484-F488 WeakPolarHBondContact O-CD2 3.43Å; E484-F488 PolarHBondContact O-N 2.8Å; E484-W647 HydrophobicContact CB-CH2 4.12Å; E484-W647 HydrophobicContact CB-CZ2 4.44Å; E484-W647 HydrophobicContact CG-CH2 4.03Å; E484-W647 HydrophobicContact CG-CZ2 3.97Å; E484-W647 HydrophobicContact CG-CZ3 4.46Å; E484-W647 WeakPolarHBondContact OE1-CZ2 3.44Å; E484-W647 PolarHBondContact OE1-NE1 3.12Å
485	I	94.6	Very high	93.4	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-56.9	-42.3	173.3	-76.3	161.7	0	0	0	111.3	V448 L477 A481 I482 H487 F488 K489	V448-I485 HydrophobicContact CG1-CG1 3.97Å; V448-I485 HydrophobicContact CG2-CD1 4.2Å; V448-I485 HydrophobicContact CG2-CG1 3.98Å; L477-I485 HydrophobicContact CD1-CD1 3.81Å; A481-I485 WeakPolarHBondContact O-CB 3.24Å; A481-I485 WeakPolarHBondContact O-CD1 3.46Å; A481-I485 VanDerWaalsContact O-CG1 3.25Å; A481-I485 WeakPolarHBondContact O-CG1 3.39Å; A481-I485 PolarHBondContact O-N 3.25Å; I482-I485 HydrophobicContact CD1-CD1 4.39Å; I482-I485 PolarHBondContact O-N 3.12Å; I485-H487 VanDerWaalsContact C-N 3.31Å; I485-H487 PolarHBondContact O-N 3.31Å; I485-F488 PolarHBondContact O-N 3.29Å; I485-K489 HydrophobicContact CG2-CD 3.97Å; I485-K489 VanDerWaalsContact CG2-CE 3.45Å; I485-K489 HydrophobicContact CG2-CG 4.33Å; I485-K489 WeakPolarHBondContact O-CB 3.38Å; I485-K489 VanDerWaalsContact O-CG 3.24Å; I485-K489 WeakPolarHBondContact O-CG 3.46Å; I485-K489 PolarHBondContact O-N 2.87Å
486	R	94	Very high	93.5	Very high	91 Å²	91	38.6 Å²	38.6	34%	0.343	18%	0.178	S	C	.	.	H	α-helix	trans	-62.4	-37.9	175.7	-68.3	171.5	-161.7	174.3	7.6	111.9	I482 K483 E484 K489 Y490 G563 G564	I482-R486 VanDerWaalsContact CG2-NH2 3.34Å; I482-R486 VanDerWaalsContact O-CG 3.28Å; I482-R486 WeakPolarHBondContact O-CG 3.44Å; I482-R486 PolarHBondContact O-N 3.13Å; K483-R486 PolarHBondContact O-N 2.83Å; E484-R486 VanDerWaalsContact C-N 3.3Å; E484-R486 PolarHBondContact O-N 3.31Å; R486-K489 PolarHBondContact O-N 3.48Å; R486-Y490 WeakPolarHBondContact O-CB 3.15Å; R486-Y490 PolarHBondContact O-N 3.24Å; R486-G563 WeakPolarHBondContact CD-O 3.38Å; R486-G563 WeakPolarHBondContact CG-O 3.5Å; R486-G564 WeakPolarHBondContact CG-O 3.5Å
487	H	93	Very high	93.5	Very high	54 Å²	54	41 Å²	41	25%	0.25	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-50.7	177.7	-163	84.6	0	0	0	111.7	K483 E484 I485 K489 Y490 Q491 W647 N650	K483-H487 PolarHBondContact O-N 3.47Å; K483-H487 VanDerWaalsContact O-N 3.11Å; E484-H487 WeakPolarHBondContact O-CB 3.44Å; E484-H487 PolarHBondContact O-N 2.8Å; I485-H487 VanDerWaalsContact C-N 3.31Å; I485-H487 PolarHBondContact O-N 3.31Å; H487-K489 PolarHBondContact O-N 3.47Å; H487-Y490 PolarHBondContact O-N 3.33Å; H487-Q491 VanDerWaalsContact CD2-CD 3.47Å; H487-Q491 PolarHBondContact CD2-NE2 3.3Å; H487-Q491 VanDerWaalsContact CD2-NE2 3.31Å; H487-Q491 PolarHBondContact NE2-NE2 2.81Å; H487-Q491 WeakPolarHBondContact O-CG 3.08Å; H487-Q491 PolarHBondContact O-N 2.58Å; H487-W647 HydrophobicContact CB-CE3 4.39Å; H487-W647 HydrophobicContact CB-CZ3 4.26Å; H487-W647 AromaticContact CD2-CE3 3.64Å; H487-W647 AromaticContact CG-CE3 3.99Å; H487-N650 PolarHBondContact CE1-ND2 2.74Å; H487-N650 PolarHBondContact NE2-ND2 3.35Å; H487-N650 VanDerWaalsContact NE2-ND2 3.17Å
488	F	94.5	Very high	93.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-43.4	174.8	-79	-69	0	0	0	112.1	L450 L465 E484 I485 Y490 Q491 L492 W641	L450-F488 HydrophobicContact CB-CE1 4.36Å; L465-F488 HydrophobicContact CD1-CB 3.74Å; L465-F488 HydrophobicContact CD2-CB 3.58Å; L465-F488 HydrophobicContact CD2-CD1 4.18Å; L465-F488 HydrophobicContact CD2-CD2 4.12Å; L465-F488 HydrophobicContact CD2-CG 3.72Å; L465-F488 HydrophobicContact CG-CB 4.33Å; E484-F488 HydrophobicContact CG-CD2 3.87Å; E484-F488 HydrophobicContact CG-CE2 3.65Å; E484-F488 WeakPolarHBondContact O-CD2 3.43Å; E484-F488 PolarHBondContact O-N 2.8Å; I485-F488 PolarHBondContact O-N 3.29Å; F488-Y490 VanDerWaalsContact C-N 3.32Å; F488-Y490 PolarHBondContact O-N 3.32Å; F488-Q491 PolarHBondContact O-N 3.44Å; F488-L492 WeakPolarHBondContact O-CB 3.45Å; F488-L492 VanDerWaalsContact O-CG 3.26Å; F488-L492 WeakPolarHBondContact O-CG 3.45Å; F488-L492 PolarHBondContact O-N 3.37Å; F488-W641 AromaticContact CD1-CH2 3.97Å; F488-W641 HydrophobicContact CD1-CH2 3.97Å; F488-W641 AromaticContact CD1-CZ2 3.74Å; F488-W641 HydrophobicContact CD1-CZ2 3.74Å; F488-W641 AromaticContact CE1-CZ2 3.89Å; F488-W641 HydrophobicContact CE1-CZ2 3.89Å
489	K	94.8	Very high	93.1	Very high	5 Å²	5	47 Å²	47	2%	0.022	22%	0.217	C	C	.	.	H	α-helix	trans	-57.7	-42.6	175.1	-76.7	177	-179.6	175.1	0	112.4	L465 I485 R486 H487 T493 F507 G564 E581	L465-K489 HydrophobicContact CD1-CG 4.19Å; I485-K489 HydrophobicContact CG2-CD 3.97Å; I485-K489 VanDerWaalsContact CG2-CE 3.45Å; I485-K489 HydrophobicContact CG2-CG 4.33Å; I485-K489 WeakPolarHBondContact O-CB 3.38Å; I485-K489 VanDerWaalsContact O-CG 3.24Å; I485-K489 WeakPolarHBondContact O-CG 3.46Å; I485-K489 PolarHBondContact O-N 2.87Å; R486-K489 PolarHBondContact O-N 3.48Å; H487-K489 PolarHBondContact O-N 3.47Å; K489-T493 WeakPolarHBondContact O-CB 3.37Å; K489-T493 PolarHBondContact O-N 3.25Å; K489-T493 PolarHBondContact O-OG1 3.16Å; K489-F507 HydrophobicContact CB-CD2 4.32Å; K489-F507 HydrophobicContact CB-CE1 4.13Å; K489-F507 HydrophobicContact CB-CE2 3.74Å; K489-F507 HydrophobicContact CB-CZ 3.64Å; K489-F507 HydrophobicContact CD-CD1 4.47Å; K489-F507 HydrophobicContact CD-CD2 4.01Å; K489-F507 HydrophobicContact CD-CE2 4.28Å; K489-F507 HydrophobicContact CD-CG 4.11Å; K489-F507 HydrophobicContact CG-CD1 3.88Å; K489-F507 HydrophobicContact CG-CD2 3.97Å; K489-F507 HydrophobicContact CG-CE1 3.75Å; K489-F507 HydrophobicContact CG-CE2 3.85Å; K489-F507 HydrophobicContact CG-CG 3.99Å; K489-F507 HydrophobicContact CG-CZ 3.74Å; K489-F507 WeakPolarHBondContact O-CZ 3.31Å; K489-G564 WeakPolarHBondContact CD-O 3.14Å; K489-G564 PolarHBondContact NZ-O 2.96Å; K489-E581 IonicContact NZ-OE2 3.79Å; K489-E581 PolarHBondContact NZ-OE2 2.97Å
490	Y	93.2	Very high	92.7	Very high	142 Å²	142	44 Å²	44	56%	0.557	20%	0.201	S	C	*	.	H	α-helix	trans	-63.6	-51.6	177.1	-178.5	-94.9	0	0	0	111.7	R486 H487 F488 L492 T493 V494	R486-Y490 WeakPolarHBondContact O-CB 3.15Å; R486-Y490 PolarHBondContact O-N 3.24Å; H487-Y490 PolarHBondContact O-N 3.33Å; F488-Y490 VanDerWaalsContact C-N 3.32Å; F488-Y490 PolarHBondContact O-N 3.32Å; Y490-L492 PolarHBondContact O-N 3.39Å; Y490-T493 PolarHBondContact O-N 3.31Å; Y490-V494 HydrophobicContact CD1-CG2 4.48Å; Y490-V494 HydrophobicContact CE1-CG2 4.08Å; Y490-V494 WeakPolarHBondContact O-CG2 3.42Å; Y490-V494 PolarHBondContact O-N 3.04Å; Y490-V494 VanDerWaalsContact O-N 3.08Å
491	Q	93.1	Very high	92.1	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.047	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-46.6	177.1	-71.7	169	-32.9	0	0	112.4	H487 F488 T493 V494 M495 W641 Y644 K646	H487-Q491 VanDerWaalsContact CD2-CD 3.47Å; H487-Q491 PolarHBondContact CD2-NE2 3.3Å; H487-Q491 VanDerWaalsContact CD2-NE2 3.31Å; H487-Q491 PolarHBondContact NE2-NE2 2.81Å; H487-Q491 WeakPolarHBondContact O-CG 3.08Å; H487-Q491 PolarHBondContact O-N 2.58Å; F488-Q491 PolarHBondContact O-N 3.44Å; Q491-T493 VanDerWaalsContact C-N 3.35Å; Q491-T493 PolarHBondContact O-N 3.48Å; Q491-V494 PolarHBondContact O-N 3.42Å; Q491-M495 PolarHBondContact O-N 3.46Å; Q491-W641 HydrophobicContact CB-CH2 3.51Å; Q491-W641 HydrophobicContact CB-CZ3 3.86Å; Q491-W641 HydrophobicContact CG-CH2 4.37Å; Q491-Y644 PolarHBondContact NE2-O 3.34Å; Q491-K646 VanDerWaalsContact NE2-N 3.1Å
492	L	94.2	Very high	91.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-40.8	176.8	-73.3	168.3	0	0	0	112	L450 L465 F488 Y490 M495 F496 F507 C525 F637 W641	L450-L492 HydrophobicContact CD1-CD1 4.3Å; L450-L492 HydrophobicContact CD2-CD2 4.37Å; L465-L492 HydrophobicContact CD1-CD1 4.2Å; L465-L492 HydrophobicContact CG-CD1 4.41Å; F488-L492 WeakPolarHBondContact O-CB 3.45Å; F488-L492 VanDerWaalsContact O-CG 3.26Å; F488-L492 WeakPolarHBondContact O-CG 3.45Å; F488-L492 PolarHBondContact O-N 3.37Å; Y490-L492 PolarHBondContact O-N 3.39Å; L492-M495 HydrophobicContact CD2-CE 3.94Å; L492-M495 PolarHBondContact O-N 2.68Å; L492-F496 HydrophobicContact CB-CD2 4.31Å; L492-F496 HydrophobicContact CB-CE2 3.98Å; L492-F496 HydrophobicContact CD2-CE2 4.13Å; L492-F496 HydrophobicContact CD2-CZ 4.09Å; L492-F496 WeakPolarHBondContact O-CB 3.45Å; L492-F496 WeakPolarHBondContact O-CD2 3.27Å; L492-F496 VanDerWaalsContact O-CG 3.23Å; L492-F496 WeakPolarHBondContact O-CG 3.35Å; L492-F496 PolarHBondContact O-N 2.9Å; L492-F507 HydrophobicContact CB-CZ 4.48Å; L492-F507 HydrophobicContact CD1-CE1 4.38Å; L492-C525 HydrophobicContact CD1-CB 4.18Å; L492-F637 HydrophobicContact CD2-CZ 4.02Å; L492-W641 HydrophobicContact CD2-CE3 3.93Å; L492-W641 HydrophobicContact CD2-CH2 4.27Å; L492-W641 HydrophobicContact CD2-CZ3 3.51Å; L492-W641 HydrophobicContact CG-CH2 4.16Å; L492-W641 HydrophobicContact CG-CZ3 3.74Å
493	T	93	Very high	90.8	Very high	27 Å²	27	51.2 Å²	51.2	17%	0.166	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-45.5	177.5	-55.4	0	0	0	0	111.1	K489 Y490 Q491 F496 E497	K489-T493 WeakPolarHBondContact O-CB 3.37Å; K489-T493 PolarHBondContact O-N 3.25Å; K489-T493 PolarHBondContact O-OG1 3.16Å; Y490-T493 PolarHBondContact O-N 3.31Å; Q491-T493 VanDerWaalsContact C-N 3.35Å; Q491-T493 PolarHBondContact O-N 3.48Å; T493-F496 PolarHBondContact O-N 3.35Å; T493-E497 PolarHBondContact O-N 2.96Å
494	V	92.6	Very high	90.7	Very high	42 Å²	42	47 Å²	47	26%	0.255	23%	0.23	S	C	.	.	H	α-helix	trans	-63.7	-47.5	177.3	176.2	0	0	0	0	111.2	Y490 Q491 F496 E497 E498 Y644	Y490-V494 HydrophobicContact CD1-CG2 4.48Å; Y490-V494 HydrophobicContact CE1-CG2 4.08Å; Y490-V494 WeakPolarHBondContact O-CG2 3.42Å; Y490-V494 PolarHBondContact O-N 3.04Å; Y490-V494 VanDerWaalsContact O-N 3.08Å; Q491-V494 PolarHBondContact O-N 3.42Å; V494-F496 VanDerWaalsContact C-N 3.33Å; V494-F496 PolarHBondContact O-N 3.04Å; V494-E497 PolarHBondContact O-N 3.38Å; V494-E498 WeakPolarHBondContact CG1-OE1 3.41Å; V494-E498 PolarHBondContact O-N 3.47Å; V494-Y644 HydrophobicContact CG1-CD1 4.16Å; V494-Y644 HydrophobicContact CG1-CE1 4.05Å
495	M	93.1	Very high	90.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.9	-43.4	176.6	-178.4	-176	74	0	0	112.1	Q491 L492 Q499 F637 L640 W641 Y644	Q491-M495 PolarHBondContact O-N 3.46Å; L492-M495 HydrophobicContact CD2-CE 3.94Å; L492-M495 PolarHBondContact O-N 2.68Å; M495-Q499 HydrophobicContact CG-CG 4.11Å; M495-Q499 VanDerWaalsContact O-CB 3.25Å; M495-Q499 WeakPolarHBondContact O-CB 3.31Å; M495-Q499 VanDerWaalsContact O-CG 3.31Å; M495-Q499 WeakPolarHBondContact O-CG 3.36Å; M495-Q499 PolarHBondContact O-N 3.17Å; M495-F637 HydrophobicContact CE-CE2 3.87Å; M495-F637 HydrophobicContact CE-CZ 3.83Å; M495-L640 HydrophobicContact SD-CB 4.05Å; M495-W641 HydrophobicContact CE-CE3 4.19Å; M495-W641 HydrophobicContact SD-CB 4.35Å; M495-W641 HydrophobicContact SD-CE3 3.83Å; M495-Y644 HydrophobicContact CB-CD1 4.19Å; M495-Y644 HydrophobicContact CB-CD2 3.67Å; M495-Y644 HydrophobicContact CB-CE1 4.38Å; M495-Y644 HydrophobicContact CB-CE2 3.89Å; M495-Y644 HydrophobicContact CB-CG 3.84Å; M495-Y644 HydrophobicContact CG-CD2 3.57Å; M495-Y644 HydrophobicContact CG-CE2 3.59Å; M495-Y644 HydrophobicContact CG-CG 4.27Å; M495-Y644 HydrophobicContact SD-CD2 4.06Å; M495-Y644 HydrophobicContact SD-CE2 4.48Å
496	F	93.4	Very high	90.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-71.9	-33	-179.1	-65.3	-43	0	0	0	113.1	G461 L492 T493 V494 Y500 S503 C505 P527 F637	G461-F496 VanDerWaalsContact O-CZ 3.27Å; G461-F496 WeakPolarHBondContact O-CZ 3.29Å; L492-F496 HydrophobicContact CB-CD2 4.31Å; L492-F496 HydrophobicContact CB-CE2 3.98Å; L492-F496 HydrophobicContact CD2-CE2 4.13Å; L492-F496 HydrophobicContact CD2-CZ 4.09Å; L492-F496 WeakPolarHBondContact O-CB 3.45Å; L492-F496 WeakPolarHBondContact O-CD2 3.27Å; L492-F496 VanDerWaalsContact O-CG 3.23Å; L492-F496 WeakPolarHBondContact O-CG 3.35Å; L492-F496 PolarHBondContact O-N 2.9Å; T493-F496 PolarHBondContact O-N 3.35Å; V494-F496 VanDerWaalsContact C-N 3.33Å; V494-F496 PolarHBondContact O-N 3.04Å; F496-Y500 AromaticContact CD1-CD2 3.66Å; F496-Y500 HydrophobicContact CD1-CD2 3.66Å; F496-Y500 AromaticContact CD1-CE2 3.74Å; F496-Y500 HydrophobicContact CD1-CE2 3.74Å; F496-Y500 HydrophobicContact CE1-CD2 4.41Å; F496-Y500 HydrophobicContact CE1-CE2 4.04Å; F496-Y500 WeakPolarHBondContact O-CB 3.31Å; F496-Y500 PolarHBondContact O-N 3.06Å; F496-Y500 VanDerWaalsContact O-N 3.16Å; F496-S503 CarbonylContact C-O 3.59Å; F496-C505 HydrophobicContact CD2-CB 3.85Å; F496-P527 HydrophobicContact CB-CB 4.35Å; F496-P527 HydrophobicContact CD1-CB 3.85Å; F496-P527 HydrophobicContact CD1-CG 4.2Å; F496-P527 HydrophobicContact CD2-CB 4.09Å; F496-P527 HydrophobicContact CE1-CB 4.11Å; F496-P527 HydrophobicContact CE1-CG 3.97Å; F496-P527 HydrophobicContact CE2-CB 4.34Å; F496-P527 HydrophobicContact CG-CB 3.86Å; F496-P527 HydrophobicContact CZ-CB 4.35Å; F496-P527 HydrophobicContact CZ-CG 4.14Å; F496-F637 HydrophobicContact CE1-CE2 4.39Å; F496-F637 HydrophobicContact CZ-CE2 4.39Å
497	E	91.3	Very high	90.9	Very high	99 Å²	99	42.4 Å²	42.4	46%	0.463	21%	0.212	S	C	.	.	H	α-helix	trans	-68.3	-43.2	173.8	179.6	150.7	-137.9	0	0	111.6	T493 V494 Q502 K530	T493-E497 PolarHBondContact O-N 2.96Å; V494-E497 PolarHBondContact O-N 3.38Å; E497-Q502 HydrophobicContact CG-CB 4.41Å; E497-Q502 WeakPolarHBondContact O-CA 3.11Å; E497-Q502 PolarHBondContact O-N 3.2Å; E497-K530 IonicContact OE1-NZ 2.78Å; E497-K530 PolarHBondContact OE1-NZ 2.82Å
498	E	91	Very high	91	Very high	120 Å²	120	39.9 Å²	39.9	56%	0.561	20%	0.201	S	C	*	.	H	α-helix	trans	-71.2	-50.8	179	-70.3	178.3	-161	0	0	112.7	V494 Y644	V494-E498 WeakPolarHBondContact CG1-OE1 3.41Å; V494-E498 PolarHBondContact O-N 3.47Å; E498-Y644 VanDerWaalsContact OE2-CE1 3.27Å; E498-Y644 WeakPolarHBondContact OE2-CE1 3.47Å; E498-Y644 VanDerWaalsContact OE2-CZ 3.32Å; E498-Y644 PolarHBondContact OE2-OH 3.02Å
499	Q	86.4	Confident	91.1	Very high	89 Å²	89	40.2 Å²	40.2	42%	0.416	20%	0.202	S	C	.	.	H	α-helix	trans	-85.3	-34.6	-168.1	-58.8	-64.3	-27.5	0	0	113.6	M495 S501 L640 Y644	M495-Q499 HydrophobicContact CG-CG 4.11Å; M495-Q499 VanDerWaalsContact O-CB 3.25Å; M495-Q499 WeakPolarHBondContact O-CB 3.31Å; M495-Q499 VanDerWaalsContact O-CG 3.31Å; M495-Q499 WeakPolarHBondContact O-CG 3.36Å; M495-Q499 PolarHBondContact O-N 3.17Å; Q499-S501 PolarHBondContact O-N 3.21Å; Q499-L640 HydrophobicContact CB-CD2 4.36Å; Q499-L640 HydrophobicContact CG-CD2 4Å; Q499-Y644 HydrophobicContact CG-CE2 4.29Å; Q499-Y644 PolarHBondContact NE2-OH 3.41Å
500	Y	83.7	Confident	91	Very high	54 Å²	54	41.6 Å²	41.6	21%	0.212	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	45	-173.5	-70.1	-96.8	0	0	0	112.5	P460 F496 Q502 S503 L640	P460-Y500 HydrophobicContact CB-CE1 4.02Å; P460-Y500 HydrophobicContact CG-CD1 4.49Å; P460-Y500 HydrophobicContact CG-CE1 3.95Å; F496-Y500 AromaticContact CD1-CD2 3.66Å; F496-Y500 HydrophobicContact CD1-CD2 3.66Å; F496-Y500 AromaticContact CD1-CE2 3.74Å; F496-Y500 HydrophobicContact CD1-CE2 3.74Å; F496-Y500 HydrophobicContact CE1-CD2 4.41Å; F496-Y500 HydrophobicContact CE1-CE2 4.04Å; F496-Y500 WeakPolarHBondContact O-CB 3.31Å; F496-Y500 PolarHBondContact O-N 3.06Å; F496-Y500 VanDerWaalsContact O-N 3.16Å; Y500-Q502 VanDerWaalsContact C-N 3.33Å; Y500-Q502 PolarHBondContact O-N 2.94Å; Y500-S503 VanDerWaalsContact O-CB 3.27Å; Y500-S503 WeakPolarHBondContact O-CB 3.4Å; Y500-S503 PolarHBondContact O-N 2.74Å; Y500-S503 PolarHBondContact O-OG 3.41Å; Y500-L640 HydrophobicContact CE2-CD1 4.25Å
501	S	81	Confident	91	Very high	111 Å²	111	35 Å²	35	78%	0.776	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	46.7	175.9	-49.9	0	0	0	0	113.2	Q499 S503	Q499-S501 PolarHBondContact O-N 3.21Å; S501-S503 VanDerWaalsContact C-N 3.32Å; S501-S503 PolarHBondContact O-N 3.13Å
502	Q	76.6	Confident	90.8	Very high	110 Å²	110	35.2 Å²	35.2	51%	0.514	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	31	-176.8	-51	178.9	2.5	0	0	114.9	E497 Y500 K530	E497-Q502 HydrophobicContact CG-CB 4.41Å; E497-Q502 WeakPolarHBondContact O-CA 3.11Å; E497-Q502 PolarHBondContact O-N 3.2Å; Y500-Q502 VanDerWaalsContact C-N 3.33Å; Y500-Q502 PolarHBondContact O-N 2.94Å; Q502-K530 HydrophobicContact CB-CD 3.69Å; Q502-K530 VanDerWaalsContact O-CB 3.3Å; Q502-K530 WeakPolarHBondContact O-CB 3.47Å; Q502-K530 WeakPolarHBondContact O-CD 3.31Å; Q502-K530 WeakPolarHBondContact O-CG 3.4Å
503	S	86.2	Confident	90.4	Very high	14 Å²	14	38.1 Å²	38.1	10%	0.098	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-63.1	143.4	169.3	-68.7	0	0	0	0	111.4	F496 Y500 S501 V528 P529	F496-S503 CarbonylContact C-O 3.59Å; Y500-S503 VanDerWaalsContact O-CB 3.27Å; Y500-S503 WeakPolarHBondContact O-CB 3.4Å; Y500-S503 PolarHBondContact O-N 2.74Å; Y500-S503 PolarHBondContact O-OG 3.41Å; S501-S503 VanDerWaalsContact C-N 3.32Å; S501-S503 PolarHBondContact O-N 3.13Å; S503-V528 WeakPolarHBondContact CA-O 3.38Å; S503-V528 WeakPolarHBondContact CB-O 3.43Å; S503-P529 WeakPolarHBondContact OG-CA 3.49Å
504	G	91	Very high	89.8	Confident	11 Å²	11	36.9 Å²	36.9	11%	0.113	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	153.6	172	0	0	0	0	0	111.3	V528	G504-V528 PolarHBondContact N-O 3.36Å; G504-V528 PolarHBondContact O-N 3.09Å
505	C	93.8	Very high	89.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.8	172.9	-162.6	0	0	0	0	111	F496 F507 Y533 G583	F496-C505 HydrophobicContact CD2-CB 3.85Å; C505-F507 HydrophobicContact CB-CE1 4.45Å; C505-F507 HydrophobicContact CB-CE2 4.22Å; C505-F507 HydrophobicContact CB-CZ 3.94Å; C505-F507 WeakPolarHBondContact SG-CE1 3.04Å; C505-F507 WeakPolarHBondContact SG-CZ 3.07Å; C505-Y533 WeakPolarHBondContact O-CE2 3.37Å; C505-G583 PolarHBondContact O-N 2.91Å
506	V	95.4	Very high	88.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.2	166.3	-172.3	0	0	0	0	109.1	I508 I526 V528 Y533 L536 F540 V580 E581 F582 I608	V506-I508 HydrophobicContact CG1-CD1 4.49Å; V506-I508 HydrophobicContact CG1-CG1 4.08Å; V506-I526 PolarHBondContact N-O 3.01Å; V506-I526 PolarHBondContact O-N 3.35Å; V506-V528 HydrophobicContact CG2-CG2 4.04Å; V506-Y533 HydrophobicContact CG2-CD2 4.27Å; V506-Y533 HydrophobicContact CG2-CE2 4.25Å; V506-L536 HydrophobicContact CG2-CD1 3.52Å; V506-F540 HydrophobicContact CG1-CE2 4.35Å; V506-V580 HydrophobicContact CG1-CG2 3.43Å; V506-V580 VanDerWaalsContact CG1-CG2 3.43Å; V506-E581 WeakPolarHBondContact CA-O 3.45Å; V506-F582 HydrophobicContact CG1-CD1 4.38Å; V506-F582 HydrophobicContact CG1-CE1 4.34Å; V506-F582 HydrophobicContact CG2-CD1 4.23Å; V506-I608 HydrophobicContact CB-CD1 3.91Å; V506-I608 HydrophobicContact CG1-CD1 3.91Å; V506-I608 HydrophobicContact CG2-CD1 4.28Å
507	F	96.8	Very high	88.7	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.009	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.8	174.6	-56.9	-65.9	0	0	0	109.4	K489 L492 C505 V523 E524 C525 V580 E581	K489-F507 HydrophobicContact CB-CD2 4.32Å; K489-F507 HydrophobicContact CB-CE1 4.13Å; K489-F507 HydrophobicContact CB-CE2 3.74Å; K489-F507 HydrophobicContact CB-CZ 3.64Å; K489-F507 HydrophobicContact CD-CD1 4.47Å; K489-F507 HydrophobicContact CD-CD2 4.01Å; K489-F507 HydrophobicContact CD-CE2 4.28Å; K489-F507 HydrophobicContact CD-CG 4.11Å; K489-F507 HydrophobicContact CG-CD1 3.88Å; K489-F507 HydrophobicContact CG-CD2 3.97Å; K489-F507 HydrophobicContact CG-CE1 3.75Å; K489-F507 HydrophobicContact CG-CE2 3.85Å; K489-F507 HydrophobicContact CG-CG 3.99Å; K489-F507 HydrophobicContact CG-CZ 3.74Å; K489-F507 WeakPolarHBondContact O-CZ 3.31Å; L492-F507 HydrophobicContact CB-CZ 4.48Å; L492-F507 HydrophobicContact CD1-CE1 4.38Å; C505-F507 HydrophobicContact CB-CE1 4.45Å; C505-F507 HydrophobicContact CB-CE2 4.22Å; C505-F507 HydrophobicContact CB-CZ 3.94Å; C505-F507 WeakPolarHBondContact SG-CE1 3.04Å; C505-F507 WeakPolarHBondContact SG-CZ 3.07Å; F507-V523 HydrophobicContact CB-CG1 4.06Å; F507-E524 CarbonylContact C-O 3.57Å; F507-E524 WeakPolarHBondContact CA-O 3.46Å; F507-C525 HydrophobicContact CD1-CB 3.99Å; F507-C525 VanDerWaalsContact CD1-SG 3.57Å; F507-C525 HydrophobicContact CE1-CB 3.96Å; F507-V580 CarbonylContact O-C 3.57Å; F507-V580 VanDerWaalsContact O-CA 3.31Å; F507-V580 WeakPolarHBondContact O-CA 3.46Å; F507-E581 HydrophobicContact CB-CB 4.32Å; F507-E581 HydrophobicContact CD2-CB 4.48Å; F507-E581 PolarHBondContact N-O 3.43Å; F507-E581 PolarHBondContact O-N 3.42Å
508	I	96.4	Very high	88.6	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.8	-179.4	-59.7	-175.4	0	0	0	109.8	V506 V523 E524 I526 F540 L578 A579 V580 G604 I608	V506-I508 HydrophobicContact CG1-CD1 4.49Å; V506-I508 HydrophobicContact CG1-CG1 4.08Å; I508-V523 CarbonylContact O-C 3.6Å; I508-V523 WeakPolarHBondContact O-CA 3.44Å; I508-E524 HydrophobicContact CB-CB 4.29Å; I508-E524 PolarHBondContact N-O 3.43Å; I508-E524 PolarHBondContact O-N 3.07Å; I508-I526 HydrophobicContact CD1-CD1 4.14Å; I508-F540 HydrophobicContact CD1-CE1 4.38Å; I508-F540 HydrophobicContact CD1-CZ 3.91Å; I508-L578 HydrophobicContact CG2-CD1 3.91Å; I508-A579 WeakPolarHBondContact CA-O 3.47Å; I508-V580 HydrophobicContact CG1-CG2 4.24Å; I508-G604 WeakPolarHBondContact CD1-O 3.44Å; I508-I608 HydrophobicContact CD1-CD1 3.74Å; I508-I608 HydrophobicContact CD1-CG1 4.4Å
509	E	95.3	Very high	88.6	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.037	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.4	161.8	-171.1	-173.3	-171.3	0	0	109.6	S473 T474 T521 Y577 A579	S473-E509 WeakPolarHBondContact CA-OE1 3.26Å; T474-E509 WeakPolarHBondContact CB-OE2 3.42Å; T474-E509 WeakPolarHBondContact CG2-OE1 3.39Å; T474-E509 WeakPolarHBondContact CG2-OE2 3.35Å; T474-E509 PolarHBondContact N-OE1 3.26Å; T474-E509 PolarHBondContact OG1-OE2 2.85Å; E509-T521 WeakPolarHBondContact OE1-CB 3.26Å; E509-T521 PolarHBondContact OE1-OG1 2.77Å; E509-Y577 HydrophobicContact CB-CE2 4.36Å; E509-Y577 HydrophobicContact CG-CE2 4.14Å; E509-Y577 PolarHBondContact OE1-OH 3.45Å; E509-Y577 VanDerWaalsContact OE1-OH 3.11Å; E509-Y577 VanDerWaalsContact OE2-CE2 3.29Å; E509-Y577 WeakPolarHBondContact OE2-CE2 3.48Å; E509-Y577 PolarHBondContact OE2-OH 2.89Å; E509-A579 PolarHBondContact N-O 3.27Å; E509-A579 PolarHBondContact O-N 2.89Å
510	T	94.3	Very high	89	Confident	33 Å²	33	41.9 Å²	41.9	20%	0.202	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	95.2	176.4	-54.7	0	0	0	0	109.9	S512 L578 I599	T510-S512 PolarHBondContact O-N 2.81Å; T510-L578 HydrophobicContact CG2-CD1 4.44Å; T510-L578 WeakPolarHBondContact OG1-CD1 3.44Å; T510-I599 HydrophobicContact CG2-CG2 3.36Å
511	A	93.3	Very high	89.5	Confident	4 Å²	4	39.7 Å²	39.7	3%	0.033	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	70.9	-178.1	0	0	0	0	0	110.9	K513 A576 Y577	A511-K513 VanDerWaalsContact C-N 3.33Å; A511-K513 PolarHBondContact O-N 3.33Å; A511-A576 VanDerWaalsContact O-CA 3.29Å; A511-A576 WeakPolarHBondContact O-CA 3.47Å; A511-Y577 HydrophobicContact CB-CD1 3.9Å; A511-Y577 HydrophobicContact CB-CD2 4Å; A511-Y577 HydrophobicContact CB-CE1 3.67Å; A511-Y577 HydrophobicContact CB-CE2 3.77Å; A511-Y577 HydrophobicContact CB-CG 4.06Å; A511-Y577 PolarHBondContact N-O 3.46Å; A511-Y577 PolarHBondContact O-N 3.03Å; A511-Y577 VanDerWaalsContact O-N 3.11Å
512	S	88.2	Confident	90.1	Very high	15 Å²	15	36.8 Å²	36.8	11%	0.105	18%	0.182	C	C	.	.	S	Bend	trans	-61.7	-32.5	-175.1	-57.3	0	0	0	0	115.1	T510 A576 I599	T510-S512 PolarHBondContact O-N 2.81Å; S512-A576 WeakPolarHBondContact O-CB 3.19Å; S512-I599 WeakPolarHBondContact CB-O 3.49Å; S512-I599 VanDerWaalsContact OG-CG2 3.28Å; S512-I599 WeakPolarHBondContact OG-CG2 3.14Å; S512-I599 PolarHBondContact OG-O 3.1Å
513	K	86.1	Confident	91.1	Very high	60 Å²	60	31.9 Å²	31.9	26%	0.261	16%	0.16	S	C	.	.			trans	-149.8	64.9	-170.4	-58.7	-162.1	-179	-60.6	0	112.6	A511 D515 T516 E596	A511-K513 VanDerWaalsContact C-N 3.33Å; A511-K513 PolarHBondContact O-N 3.33Å; K513-D515 VanDerWaalsContact C-N 3.33Å; K513-D515 PolarHBondContact O-N 3.39Å; K513-T516 HydrophobicContact CB-CG2 4.08Å; K513-T516 VanDerWaalsContact CB-OG1 3.31Å; K513-T516 WeakPolarHBondContact CB-OG1 3.47Å; K513-T516 HydrophobicContact CD-CG2 4.47Å; K513-T516 PolarHBondContact O-N 2.91Å; K513-T516 PolarHBondContact O-OG1 3.07Å; K513-E596 WeakPolarHBondContact CA-OE1 3.43Å; K513-E596 WeakPolarHBondContact CB-OE1 3.25Å; K513-E596 HydrophobicContact CG-CB 4.28Å; K513-E596 HydrophobicContact CG-CG 4.47Å; K513-E596 WeakPolarHBondContact CG-OE1 3.43Å; K513-E596 PolarHBondContact NZ-O 2.86Å; K513-E596 IonicContact NZ-OE2 3.03Å; K513-E596 PolarHBondContact NZ-OE2 3.47Å
514	P	80.6	Confident	91.6	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.013	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.9	-168.7	30.6	-41	0	0	0	114.7	S472 T516 K574 F575	S472-P514 WeakPolarHBondContact CB-O 3.31Å; S472-P514 PolarHBondContact OG-O 2.61Å; P514-T516 VanDerWaalsContact C-N 3.29Å; P514-K574 VanDerWaalsContact CG-C 3.47Å; P514-K574 WeakPolarHBondContact CG-O 3.28Å; P514-F575 WeakPolarHBondContact CG-O 3.2Å
515	D	81.7	Confident	91.8	Very high	88 Å²	88	31.6 Å²	31.6	47%	0.471	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-22.5	175.3	-170.3	70.5	0	0	0	112.3	K513 V517	K513-D515 VanDerWaalsContact C-N 3.33Å; K513-D515 PolarHBondContact O-N 3.39Å; D515-V517 PolarHBondContact O-N 2.78Å
516	T	85.5	Confident	91.9	Very high	44 Å²	44	31.6 Å²	31.6	27%	0.27	15%	0.154	S	C	.	.			trans	-79.9	117.9	-175.9	64.8	0	0	0	0	112.6	K513 P514 R518 H519	K513-T516 HydrophobicContact CB-CG2 4.08Å; K513-T516 VanDerWaalsContact CB-OG1 3.31Å; K513-T516 WeakPolarHBondContact CB-OG1 3.47Å; K513-T516 HydrophobicContact CD-CG2 4.47Å; K513-T516 PolarHBondContact O-N 2.91Å; K513-T516 PolarHBondContact O-OG1 3.07Å; P514-T516 VanDerWaalsContact C-N 3.29Å; T516-R518 PolarHBondContact O-N 3.06Å; T516-H519 PolarHBondContact O-N 3.49Å; T516-H519 PolarHBondContact OG1-CE1 3Å; T516-H519 PolarHBondContact OG1-ND1 3.47Å
517	V	88.3	Confident	91.9	Very high	47 Å²	47	31.9 Å²	31.9	29%	0.285	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	3.7	174	-57.1	0	0	0	0	116	R421 R422 A425 H470 D515	R421-V517 HydrophobicContact CB-CG2 4.4Å; R422-V517 HydrophobicContact CB-CG1 4.47Å; R422-V517 HydrophobicContact CG-CB 4.24Å; R422-V517 HydrophobicContact CG-CG1 4.22Å; A425-V517 HydrophobicContact CB-CG2 4.38Å; A425-V517 WeakPolarHBondContact CB-O 3.48Å; H470-V517 PolarHBondContact NE2-O 3.35Å; D515-V517 PolarHBondContact O-N 2.78Å
518	R	89.7	Confident	91.8	Very high	171 Å²	171	31.8 Å²	31.8	65%	0.645	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-24.7	-178.9	-69.7	179.7	175.3	-84.1	-2.3	113.9	A425 H470 T516	A425-R518 HydrophobicContact CB-CG 4.43Å; H470-R518 VanDerWaalsContact CE1-C 3.49Å; H470-R518 PolarHBondContact CE1-O 3.13Å; H470-R518 WeakPolarHBondContact NE2-CA 3.32Å; H470-R518 PolarHBondContact NE2-N 2.83Å; T516-R518 PolarHBondContact O-N 3.06Å
519	H	90.6	Very high	91.6	Very high	85 Å²	85	34.9 Å²	34.9	39%	0.394	18%	0.175	S	C	.	.			trans	-93.9	146.1	-177.5	-63	92.1	0	0	0	110.4	S472 T516	S472-H519 WeakPolarHBondContact CA-O 3.36Å; T516-H519 PolarHBondContact O-N 3.49Å; T516-H519 PolarHBondContact OG1-CE1 3Å; T516-H519 PolarHBondContact OG1-ND1 3.47Å
520	H	93.9	Very high	91.4	Very high	19 Å²	19	37.8 Å²	37.8	9%	0.088	19%	0.188	C	C	.	.			trans	-125.3	123.5	175.2	-172.1	168.7	0	0	0	104.8	T431 C432 P467 E469 H470 I471	T431-H520 VanDerWaalsContact OG1-CB 3.25Å; T431-H520 WeakPolarHBondContact OG1-CB 3.3Å; T431-H520 VanDerWaalsContact OG1-CG 3.31Å; T431-H520 PolarHBondContact OG1-ND1 1.9Å; C432-H520 PolarHBondContact N-ND1 3.26Å; C432-H520 PolarHBondContact SG-ND1 3.01Å; P467-H520 PolarHBondContact O-CE1 2.8Å; P467-H520 VanDerWaalsContact O-CE1 3.27Å; P467-H520 PolarHBondContact O-NE2 3.46Å; E469-H520 PolarHBondContact O-NE2 2.91Å; H470-H520 AromaticContact ND1-CG 3.89Å; H470-H520 AromaticContact ND1-ND1 3.79Å; I471-H520 CarbonylContact O-C 3.58Å; I471-H520 WeakPolarHBondContact O-CA 3.34Å
521	T	93.9	Very high	91.2	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.049	22%	0.216	C	C	.	.			trans	-64.2	141.6	179.7	-176.8	0	0	0	0	110.8	P467 I471 T474 L477 E509	P467-T521 WeakPolarHBondContact CD-O 3.41Å; P467-T521 HydrophobicContact CG-CG2 3.82Å; I471-T521 PolarHBondContact O-N 3.05Å; T474-T521 HydrophobicContact CG2-CG2 4.4Å; L477-T521 HydrophobicContact CD1-CG2 4.41Å; E509-T521 WeakPolarHBondContact OE1-CB 3.26Å; E509-T521 PolarHBondContact OE1-OG1 2.77Å
522	Q	95.2	Very high	91.2	Very high	50 Å²	50	44.5 Å²	44.5	23%	0.234	22%	0.222	C	C	.	.			trans	-135	133.5	167.7	-55.5	-163.9	-80.5	0	0	107.1	T431 L465 T466	T431-Q522 VanDerWaalsContact CG2-CD 3.43Å; T431-Q522 HydrophobicContact CG2-CG 4.26Å; T431-Q522 VanDerWaalsContact CG2-OE1 3.29Å; L465-Q522 WeakPolarHBondContact O-CA 3.45Å; T466-Q522 HydrophobicContact CG2-CG 4.15Å; T466-Q522 PolarHBondContact OG1-NE2 2.83Å
523	V	96.4	Very high	91.4	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	113.1	169.4	-178.3	0	0	0	0	107.4	L465 T474 F507 I508	L465-V523 HydrophobicContact CB-CB 4.31Å; L465-V523 PolarHBondContact N-O 3.12Å; L465-V523 PolarHBondContact O-N 3.04Å; T474-V523 HydrophobicContact CG2-CG2 3.98Å; F507-V523 HydrophobicContact CB-CG1 4.06Å; I508-V523 CarbonylContact O-C 3.6Å; I508-V523 WeakPolarHBondContact O-CA 3.44Å
524	E	96.4	Very high	91.7	Very high	19 Å²	19	50.7 Å²	50.7	9%	0.089	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.3	177.3	-67.8	-174	-175.1	0	0	109.6	Y462 L464 F507 I508 I526 R605	Y462-E524 HydrophobicContact CE2-CB 4.01Å; Y462-E524 HydrophobicContact CE2-CG 4.31Å; Y462-E524 VanDerWaalsContact OH-CD 3.3Å; Y462-E524 PolarHBondContact OH-OE2 2.73Å; L464-E524 HydrophobicContact CD2-CB 4.4Å; L464-E524 HydrophobicContact CD2-CG 3.81Å; F507-E524 CarbonylContact C-O 3.57Å; F507-E524 WeakPolarHBondContact CA-O 3.46Å; I508-E524 HydrophobicContact CB-CB 4.29Å; I508-E524 PolarHBondContact N-O 3.43Å; I508-E524 PolarHBondContact O-N 3.07Å; E524-I526 HydrophobicContact CB-CD1 4.5Å; E524-R605 IonicContact OE1-CZ 2.73Å; E524-R605 VanDerWaalsContact OE1-CZ 3.22Å; E524-R605 IonicContact OE1-NE 3.22Å; E524-R605 PolarHBondContact OE1-NE 2.91Å; E524-R605 IonicContact OE1-NH2 3.59Å; E524-R605 PolarHBondContact OE1-NH2 2.72Å; E524-R605 VanDerWaalsContact OE2-CD 3.32Å; E524-R605 WeakPolarHBondContact OE2-CD 3.31Å; E524-R605 VanDerWaalsContact OE2-CG 3.27Å; E524-R605 WeakPolarHBondContact OE2-CG 3.35Å; E524-R605 IonicContact OE2-CZ 2.85Å; E524-R605 IonicContact OE2-NE 3.78Å; E524-R605 PolarHBondContact OE2-NE 2.62Å; E524-R605 IonicContact OE2-NH2 3.25Å
525	C	96.1	Very high	92.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	100.3	-175.6	-57	0	0	0	0	109.3	Y462 C463 L492 F507	Y462-C525 WeakPolarHBondContact CA-O 3.29Å; Y462-C525 WeakPolarHBondContact CD2-O 3.39Å; C463-C525 PolarHBondContact N-O 3.32Å; C463-C525 VanDerWaalsContact N-O 3.11Å; C463-C525 WeakPolarHBondContact O-CB 3.45Å; C463-C525 PolarHBondContact O-N 3.03Å; C463-C525 VanDerWaalsContact SG-CB 3.59Å; L492-C525 HydrophobicContact CD1-CB 4.18Å; F507-C525 HydrophobicContact CD1-CB 3.99Å; F507-C525 VanDerWaalsContact CD1-SG 3.57Å; F507-C525 HydrophobicContact CE1-CB 3.96Å
526	I	95.4	Very high	92.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.5	-170	-59.7	165.4	0	0	0	109.9	Y462 V506 I508 E524 V528 R605 I608	Y462-I526 HydrophobicContact CD2-CB 4.49Å; Y462-I526 HydrophobicContact CD2-CD1 4.49Å; Y462-I526 HydrophobicContact CD2-CG1 3.5Å; Y462-I526 HydrophobicContact CE2-CD1 4.24Å; Y462-I526 HydrophobicContact CE2-CG1 3.65Å; Y462-I526 HydrophobicContact CG-CG1 4.4Å; V506-I526 PolarHBondContact N-O 3.01Å; V506-I526 PolarHBondContact O-N 3.35Å; I508-I526 HydrophobicContact CD1-CD1 4.14Å; E524-I526 HydrophobicContact CB-CD1 4.5Å; I526-V528 HydrophobicContact CG2-CG2 4.08Å; I526-R605 HydrophobicContact CD1-CG 3.94Å; I526-I608 HydrophobicContact CB-CD1 4.23Å; I526-I608 HydrophobicContact CD1-CD1 3.95Å; I526-I608 HydrophobicContact CG2-CD1 4.16Å; I526-I608 HydrophobicContact CG2-CG2 4.15Å
527	P	95.3	Very high	93.3	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.032	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	139.2	171	29.6	-34	0	0	0	111.1	T459 P460 F496	T459-P527 PolarHBondContact OG1-O 3.29Å; P460-P527 WeakPolarHBondContact O-CG 3.28Å; F496-P527 HydrophobicContact CB-CB 4.35Å; F496-P527 HydrophobicContact CD1-CB 3.85Å; F496-P527 HydrophobicContact CD1-CG 4.2Å; F496-P527 HydrophobicContact CD2-CB 4.09Å; F496-P527 HydrophobicContact CE1-CB 4.11Å; F496-P527 HydrophobicContact CE1-CG 3.97Å; F496-P527 HydrophobicContact CE2-CB 4.34Å; F496-P527 HydrophobicContact CG-CB 3.86Å; F496-P527 HydrophobicContact CZ-CB 4.35Å; F496-P527 HydrophobicContact CZ-CG 4.14Å
528	V	94.3	Very high	93.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.9	-176.4	-170.3	0	0	0	0	111.4	S503 G504 V506 I526 L532 L536 I608 L612	S503-V528 WeakPolarHBondContact CA-O 3.38Å; S503-V528 WeakPolarHBondContact CB-O 3.43Å; G504-V528 PolarHBondContact N-O 3.36Å; G504-V528 PolarHBondContact O-N 3.09Å; V506-V528 HydrophobicContact CG2-CG2 4.04Å; I526-V528 HydrophobicContact CG2-CG2 4.08Å; V528-L532 HydrophobicContact CG1-CB 4.13Å; V528-L532 HydrophobicContact CG1-CD2 3.69Å; V528-L532 HydrophobicContact CG1-CG 4.18Å; V528-L536 HydrophobicContact CB-CD1 3.93Å; V528-L536 HydrophobicContact CG1-CD1 3.79Å; V528-L536 HydrophobicContact CG2-CD1 3.98Å; V528-I608 HydrophobicContact CG2-CD1 4.47Å; V528-I608 HydrophobicContact CG2-CG2 4.22Å; V528-L612 HydrophobicContact CG1-CD2 4.28Å
529	P	93.3	Very high	93.9	Very high	66 Å²	66	46.7 Å²	46.7	43%	0.429	24%	0.242	S	C	.	.			trans	-55.3	141.4	-177.3	-28.9	36.4	0	0	0	114.9	S503 N531 L532 Y533	S503-P529 WeakPolarHBondContact OG-CA 3.49Å; P529-N531 PolarHBondContact O-N 2.89Å; P529-L532 PolarHBondContact O-N 2.89Å; P529-Y533 PolarHBondContact O-N 2.7Å
530	K	90.9	Very high	94.1	Very high	69 Å²	69	42.7 Å²	42.7	30%	0.3	22%	0.223	S	C	.	.	H	α-helix	trans	-48.8	-39.8	-173	-159.2	163.8	-165.6	140.8	0	114.8	E497 Q502 Y533 K534	E497-K530 IonicContact OE1-NZ 2.78Å; E497-K530 PolarHBondContact OE1-NZ 2.82Å; Q502-K530 HydrophobicContact CB-CD 3.69Å; Q502-K530 VanDerWaalsContact O-CB 3.3Å; Q502-K530 WeakPolarHBondContact O-CB 3.47Å; Q502-K530 WeakPolarHBondContact O-CD 3.31Å; Q502-K530 WeakPolarHBondContact O-CG 3.4Å; K530-Y533 PolarHBondContact O-N 2.9Å; K530-K534 PolarHBondContact O-N 3.27Å
531	N	90.9	Very high	94.2	Very high	149 Å²	149	47.3 Å²	47.3	80%	0.797	24%	0.243	S	C	*	.	H	α-helix	trans	-62	-45.5	-179.6	-65.5	-9.7	0	0	0	111.6	P529	P529-N531 PolarHBondContact O-N 2.89Å
532	L	92.4	Very high	94.3	Very high	29 Å²	29	53 Å²	53	15%	0.152	27%	0.267	C	S	.	.	H	α-helix	trans	-76.4	-40.6	178	-172.8	67.4	0	0	0	111	V528 P529 K534 S535 L536 Y539 A611 L612	V528-L532 HydrophobicContact CG1-CB 4.13Å; V528-L532 HydrophobicContact CG1-CD2 3.69Å; V528-L532 HydrophobicContact CG1-CG 4.18Å; P529-L532 PolarHBondContact O-N 2.89Å; L532-K534 VanDerWaalsContact C-N 3.26Å; L532-K534 PolarHBondContact O-N 2.9Å; L532-S535 CarbonylContact O-C 3.44Å; L532-S535 WeakPolarHBondContact O-CA 3.27Å; L532-S535 PolarHBondContact O-N 2.97Å; L532-S535 PolarHBondContact O-OG 2.92Å; L532-L536 HydrophobicContact CD2-CD2 4.1Å; L532-L536 HydrophobicContact CG-CD2 3.86Å; L532-L536 HydrophobicContact CG-CG 4.3Å; L532-L536 PolarHBondContact O-N 2.96Å; L532-Y539 HydrophobicContact CD1-CE2 4.08Å; L532-A611 HydrophobicContact CD1-CB 4.2Å; L532-A611 WeakPolarHBondContact CD1-O 3.22Å; L532-A611 HydrophobicContact CD2-CB 3.98Å; L532-A611 WeakPolarHBondContact CD2-O 3.45Å; L532-A611 HydrophobicContact CG-CB 4.48Å; L532-L612 HydrophobicContact CD2-CD2 3.5Å; L532-L612 HydrophobicContact CD2-CG 3.76Å
533	Y	93.1	Very high	94.3	Very high	39 Å²	39	51.5 Å²	51.5	15%	0.153	26%	0.263	C	S	.	.	H	α-helix	trans	-50.5	-42.2	-179.1	-177.5	-102.9	0	0	0	113.2	C505 V506 P529 K530 S535 L536 P537 F582 G583 N586	C505-Y533 WeakPolarHBondContact O-CE2 3.37Å; V506-Y533 HydrophobicContact CG2-CD2 4.27Å; V506-Y533 HydrophobicContact CG2-CE2 4.25Å; P529-Y533 PolarHBondContact O-N 2.7Å; K530-Y533 PolarHBondContact O-N 2.9Å; Y533-S535 PolarHBondContact O-N 3.31Å; Y533-S535 VanDerWaalsContact O-N 3.15Å; Y533-L536 HydrophobicContact CD2-CD1 4.09Å; Y533-L536 PolarHBondContact O-N 3.07Å; Y533-P537 WeakPolarHBondContact O-CD 3.34Å; Y533-F582 HydrophobicContact CE2-CB 4.2Å; Y533-F582 PolarHBondContact OH-O 3.34Å; Y533-G583 PolarHBondContact OH-N 3.28Å; Y533-N586 PolarHBondContact OH-OD1 3.34Å
534	K	91.4	Very high	94.1	Very high	166 Å²	166	51.2 Å²	51.2	72%	0.722	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.4	174.2	-71.3	-179.1	179.5	-177	0	114.3	K530 L532	K530-K534 PolarHBondContact O-N 3.27Å; L532-K534 VanDerWaalsContact C-N 3.26Å; L532-K534 PolarHBondContact O-N 2.9Å
535	S	93.1	Very high	94	Very high	42 Å²	42	52.2 Å²	52.2	29%	0.294	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-16.5	-178	66.9	0	0	0	0	114.3	L532 Y533 P537 A538 Y539	L532-S535 CarbonylContact O-C 3.44Å; L532-S535 WeakPolarHBondContact O-CA 3.27Å; L532-S535 PolarHBondContact O-N 2.97Å; L532-S535 PolarHBondContact O-OG 2.92Å; Y533-S535 PolarHBondContact O-N 3.31Å; Y533-S535 VanDerWaalsContact O-N 3.15Å; S535-P537 VanDerWaalsContact C-CD 3.44Å; S535-P537 VanDerWaalsContact C-N 3.33Å; S535-A538 WeakPolarHBondContact O-CB 3.43Å; S535-A538 PolarHBondContact O-N 2.73Å; S535-Y539 WeakPolarHBondContact O-CD2 3.37Å; S535-Y539 PolarHBondContact O-N 2.75Å; S535-Y539 WeakPolarHBondContact OG-CE2 3.34Å
536	L	93.8	Very high	93.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-53.2	-39.7	-179.7	-67.9	177.5	0	0	0	114.1	V506 V528 L532 Y533 A538 Y539 F540 F582 A611	V506-L536 HydrophobicContact CG2-CD1 3.52Å; V528-L536 HydrophobicContact CB-CD1 3.93Å; V528-L536 HydrophobicContact CG1-CD1 3.79Å; V528-L536 HydrophobicContact CG2-CD1 3.98Å; L532-L536 HydrophobicContact CD2-CD2 4.1Å; L532-L536 HydrophobicContact CG-CD2 3.86Å; L532-L536 HydrophobicContact CG-CG 4.3Å; L532-L536 PolarHBondContact O-N 2.96Å; Y533-L536 HydrophobicContact CD2-CD1 4.09Å; Y533-L536 PolarHBondContact O-N 3.07Å; L536-A538 PolarHBondContact O-N 2.68Å; L536-Y539 PolarHBondContact O-N 3.13Å; L536-Y539 VanDerWaalsContact O-N 3.14Å; L536-F540 HydrophobicContact CB-CD2 4.44Å; L536-F540 WeakPolarHBondContact O-CD2 3.4Å; L536-F540 PolarHBondContact O-N 3.45Å; L536-F582 HydrophobicContact CB-CD1 4.36Å; L536-F582 HydrophobicContact CB-CE1 3.94Å; L536-A611 HydrophobicContact CD2-CB 4.02Å
537	P	94.6	Very high	93.5	Very high	45 Å²	45	60 Å²	60	29%	0.292	31%	0.307	S	S	.	.	H	α-helix	trans	-57.9	-30.4	175.7	-27.2	36.6	0	0	0	113.6	Y533 S535 K541 F582 F589	Y533-P537 WeakPolarHBondContact O-CD 3.34Å; S535-P537 VanDerWaalsContact C-CD 3.44Å; S535-P537 VanDerWaalsContact C-N 3.33Å; P537-K541 WeakPolarHBondContact O-CB 3.23Å; P537-K541 PolarHBondContact O-N 3.31Å; P537-F582 HydrophobicContact CB-CE2 4.21Å; P537-F582 HydrophobicContact CB-CZ 4.36Å; P537-F582 HydrophobicContact CG-CD1 4.25Å; P537-F582 HydrophobicContact CG-CD2 4.11Å; P537-F582 HydrophobicContact CG-CE1 4.3Å; P537-F582 HydrophobicContact CG-CE2 4.16Å; P537-F582 HydrophobicContact CG-CG 4.17Å; P537-F582 HydrophobicContact CG-CZ 4.26Å; P537-F589 HydrophobicContact CB-CE2 4.11Å; P537-F589 WeakPolarHBondContact O-CE2 3.3Å
538	A	94.8	Very high	93.2	Very high	67 Å²	67	60.6 Å²	60.6	55%	0.554	32%	0.315	S	S	*	.	H	α-helix	trans	-74.3	-43.3	175.2	0	0	0	0	0	112.1	S535 L536 K541 K542	S535-A538 WeakPolarHBondContact O-CB 3.43Å; S535-A538 PolarHBondContact O-N 2.73Å; L536-A538 PolarHBondContact O-N 2.68Å; A538-K541 PolarHBondContact O-N 2.64Å; A538-K542 WeakPolarHBondContact O-CB 3.19Å; A538-K542 PolarHBondContact O-N 2.7Å
539	Y	95.8	Very high	92.9	Very high	115 Å²	115	62.3 Å²	62.3	45%	0.451	33%	0.327	S	S	.	.	H	α-helix	trans	-59.2	-47.8	174.2	-73.7	-77.5	0	0	0	111.7	L532 S535 L536 K542 A543 A611	L532-Y539 HydrophobicContact CD1-CE2 4.08Å; S535-Y539 WeakPolarHBondContact O-CD2 3.37Å; S535-Y539 PolarHBondContact O-N 2.75Å; S535-Y539 WeakPolarHBondContact OG-CE2 3.34Å; L536-Y539 PolarHBondContact O-N 3.13Å; L536-Y539 VanDerWaalsContact O-N 3.14Å; Y539-K542 PolarHBondContact O-N 3.22Å; Y539-A543 WeakPolarHBondContact O-CB 3.13Å; Y539-A543 PolarHBondContact O-N 3.34Å; Y539-A611 HydrophobicContact CD2-CB 4.41Å; Y539-A611 HydrophobicContact CG-CB 4.43Å
540	F	95.9	Very high	92.7	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-67.6	-41.8	176.6	-85.5	-79.1	0	0	0	112.7	V506 I508 L536 K542 A543 L544 V580 F582 F589 I607 I608	V506-F540 HydrophobicContact CG1-CE2 4.35Å; I508-F540 HydrophobicContact CD1-CE1 4.38Å; I508-F540 HydrophobicContact CD1-CZ 3.91Å; L536-F540 HydrophobicContact CB-CD2 4.44Å; L536-F540 WeakPolarHBondContact O-CD2 3.4Å; L536-F540 PolarHBondContact O-N 3.45Å; F540-K542 VanDerWaalsContact C-N 3.3Å; F540-K542 PolarHBondContact O-N 3.41Å; F540-A543 PolarHBondContact O-N 2.79Å; F540-L544 HydrophobicContact CB-CD1 4.44Å; F540-L544 VanDerWaalsContact O-CB 3.24Å; F540-L544 WeakPolarHBondContact O-CB 3.48Å; F540-L544 WeakPolarHBondContact O-CG 3.35Å; F540-L544 PolarHBondContact O-N 3.21Å; F540-V580 HydrophobicContact CB-CG1 4.28Å; F540-V580 HydrophobicContact CD1-CB 4.09Å; F540-V580 HydrophobicContact CD1-CG1 3.69Å; F540-V580 HydrophobicContact CD1-CG2 4.08Å; F540-V580 HydrophobicContact CD2-CG2 4.2Å; F540-V580 HydrophobicContact CE1-CB 4.01Å; F540-V580 HydrophobicContact CE1-CG1 4.15Å; F540-V580 HydrophobicContact CE1-CG2 3.85Å; F540-V580 HydrophobicContact CE2-CG2 3.98Å; F540-V580 HydrophobicContact CG-CG1 4Å; F540-V580 HydrophobicContact CG-CG2 4.24Å; F540-V580 HydrophobicContact CZ-CB 4.45Å; F540-V580 HydrophobicContact CZ-CG2 3.79Å; F540-F582 HydrophobicContact CB-CZ 3.93Å; F540-F582 AromaticContact CD2-CE1 3.69Å; F540-F582 HydrophobicContact CD2-CE1 3.69Å; F540-F582 AromaticContact CD2-CZ 3.76Å; F540-F582 HydrophobicContact CD2-CZ 3.76Å; F540-F582 HydrophobicContact CE2-CE1 4.16Å; F540-F582 HydrophobicContact CG-CE1 4.4Å; F540-F582 HydrophobicContact CG-CZ 4.01Å; F540-F589 HydrophobicContact CB-CD2 4.45Å; F540-I607 HydrophobicContact CD1-CB 4.37Å; F540-I607 HydrophobicContact CD1-CD1 3.69Å; F540-I607 HydrophobicContact CD1-CG2 3.9Å; F540-I607 HydrophobicContact CD2-CG2 4.04Å; F540-I607 HydrophobicContact CE1-CB 3.95Å; F540-I607 HydrophobicContact CE1-CD1 3.65Å; F540-I607 HydrophobicContact CE1-CG1 4.41Å; F540-I607 HydrophobicContact CE1-CG2 3.87Å; F540-I607 HydrophobicContact CE2-CG2 4Å; F540-I607 HydrophobicContact CG-CG2 4Å; F540-I607 HydrophobicContact CZ-CB 4.1Å; F540-I607 HydrophobicContact CZ-CG2 3.92Å; F540-I608 HydrophobicContact CE2-CD1 4.23Å; F540-I608 HydrophobicContact CE2-CG1 3.74Å; F540-I608 HydrophobicContact CZ-CD1 4.09Å; F540-I608 HydrophobicContact CZ-CG1 3.69Å
541	K	95.3	Very high	92.6	Very high	116 Å²	116	73.6 Å²	73.6	50%	0.504	37%	0.365	S	S	.	.	H	α-helix	trans	-59.4	-41.3	175.6	178.2	171.7	-179.5	-177.2	0	111.8	P537 A538 S545 L557 F589	P537-K541 WeakPolarHBondContact O-CB 3.23Å; P537-K541 PolarHBondContact O-N 3.31Å; A538-K541 PolarHBondContact O-N 2.64Å; K541-S545 WeakPolarHBondContact O-CB 3.4Å; K541-S545 PolarHBondContact O-N 3.09Å; K541-S545 PolarHBondContact O-OG 2.67Å; K541-L557 HydrophobicContact CD-CD2 4.27Å; K541-L557 HydrophobicContact CG-CD2 3.93Å; K541-F589 HydrophobicContact CB-CE2 4.16Å
542	K	95.6	Very high	92.5	Very high	129 Å²	129	67.7 Å²	67.7	56%	0.561	33%	0.334	S	S	*	.	H	α-helix	trans	-64	-58.8	174	-177.2	179.4	175.6	-176.8	0	110.7	A538 Y539 F540 L544 S545 E546	A538-K542 WeakPolarHBondContact O-CB 3.19Å; A538-K542 PolarHBondContact O-N 2.7Å; Y539-K542 PolarHBondContact O-N 3.22Å; F540-K542 VanDerWaalsContact C-N 3.3Å; F540-K542 PolarHBondContact O-N 3.41Å; K542-L544 PolarHBondContact O-N 3.43Å; K542-S545 WeakPolarHBondContact O-CA 3.48Å; K542-S545 WeakPolarHBondContact O-CB 3.23Å; K542-S545 PolarHBondContact O-N 3.12Å; K542-E546 WeakPolarHBondContact CE-OE1 3.26Å; K542-E546 WeakPolarHBondContact CE-OE2 3.39Å; K542-E546 HydrophobicContact CG-CG 4.47Å; K542-E546 IonicContact NZ-OE1 3.69Å; K542-E546 PolarHBondContact O-N 2.93Å
543	A	94.6	Very high	92.3	Very high	17 Å²	17	75.2 Å²	75.2	14%	0.14	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-43.9	-175.5	0	0	0	0	0	112.9	Y539 F540 S545 E546 I547 I607	Y539-A543 WeakPolarHBondContact O-CB 3.13Å; Y539-A543 PolarHBondContact O-N 3.34Å; F540-A543 PolarHBondContact O-N 2.79Å; A543-S545 PolarHBondContact O-N 2.89Å; A543-E546 CarbonylContact O-C 3.56Å; A543-E546 PolarHBondContact O-N 3.04Å; A543-E546 VanDerWaalsContact O-N 3.12Å; A543-I547 HydrophobicContact CB-CD1 4.34Å; A543-I547 WeakPolarHBondContact O-CB 3.25Å; A543-I547 WeakPolarHBondContact O-CD1 3.48Å; A543-I547 WeakPolarHBondContact O-CG1 3.39Å; A543-I547 PolarHBondContact O-N 2.96Å; A543-I607 HydrophobicContact CB-CD1 3.59Å; A543-I607 HydrophobicContact CB-CG1 3.71Å; A543-I607 HydrophobicContact CB-CG2 4.32Å
544	L	93.9	Very high	92.3	Very high	1 Å²	1	75.7 Å²	75.7	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-67.1	-20.4	177	-65.2	171.9	0	0	0	113.3	F540 K542 L557 L578 V580 F589 R591	F540-L544 HydrophobicContact CB-CD1 4.44Å; F540-L544 VanDerWaalsContact O-CB 3.24Å; F540-L544 WeakPolarHBondContact O-CB 3.48Å; F540-L544 WeakPolarHBondContact O-CG 3.35Å; F540-L544 PolarHBondContact O-N 3.21Å; K542-L544 PolarHBondContact O-N 3.43Å; L544-L557 HydrophobicContact CB-CD1 3.86Å; L544-L557 HydrophobicContact CD1-CD1 4.02Å; L544-L578 HydrophobicContact CD2-CB 4.35Å; L544-L578 HydrophobicContact CD2-CD2 3.71Å; L544-L578 HydrophobicContact CD2-CG 3.95Å; L544-V580 HydrophobicContact CD1-CG1 4.01Å; L544-F589 HydrophobicContact CD1-CB 3.56Å; L544-R591 HydrophobicContact CB-CB 4.35Å; L544-R591 HydrophobicContact CD2-CB 3.88Å; L544-R591 WeakPolarHBondContact O-CD 3.5Å
545	S	93.1	Very high	92.3	Very high	41 Å²	41	77.8 Å²	77.8	29%	0.287	38%	0.377	S	S	.	.	H	α-helix	trans	-82.6	-30	172	-55.5	0	0	0	0	112.5	K541 K542 A543 R556	K541-S545 WeakPolarHBondContact O-CB 3.4Å; K541-S545 PolarHBondContact O-N 3.09Å; K541-S545 PolarHBondContact O-OG 2.67Å; K542-S545 WeakPolarHBondContact O-CA 3.48Å; K542-S545 WeakPolarHBondContact O-CB 3.23Å; K542-S545 PolarHBondContact O-N 3.12Å; A543-S545 PolarHBondContact O-N 2.89Å; S545-R556 PolarHBondContact O-NH1 3.22Å
546	E	92.2	Very high	92.2	Very high	127 Å²	127	79.9 Å²	79.9	59%	0.593	38%	0.378	S	S	*	.	H	α-helix	trans	-90.7	-17	-179.9	-67.4	176.1	158.5	0	0	113.6	K542 A543	K542-E546 WeakPolarHBondContact CE-OE1 3.26Å; K542-E546 WeakPolarHBondContact CE-OE2 3.39Å; K542-E546 HydrophobicContact CG-CG 4.47Å; K542-E546 IonicContact NZ-OE1 3.69Å; K542-E546 PolarHBondContact O-N 2.93Å; A543-E546 CarbonylContact O-C 3.56Å; A543-E546 PolarHBondContact O-N 3.04Å; A543-E546 VanDerWaalsContact O-N 3.12Å
547	I	89.9	Confident	92.1	Very high	37 Å²	37	82.1 Å²	82.1	19%	0.19	39%	0.39	C	S	.	.	S	Bend	trans	-82.7	124.5	173.6	-67.9	160.8	0	0	0	109.5	A543 L578 R591 L593 I607	A543-I547 HydrophobicContact CB-CD1 4.34Å; A543-I547 WeakPolarHBondContact O-CB 3.25Å; A543-I547 WeakPolarHBondContact O-CD1 3.48Å; A543-I547 WeakPolarHBondContact O-CG1 3.39Å; A543-I547 PolarHBondContact O-N 2.96Å; I547-L578 HydrophobicContact CD1-CD2 4.41Å; I547-R591 PolarHBondContact O-NE 3.3Å; I547-L593 HydrophobicContact CG2-CD1 3.7Å; I547-L593 HydrophobicContact CG2-CD2 4.08Å; I547-I607 HydrophobicContact CD1-CD1 4.13Å
548	G	87.8	Confident	92.1	Very high	18 Å²	18	82 Å²	82	19%	0.186	39%	0.386	C	S	.	.	S	Bend	trans	119.6	168.4	175.2	0	0	0	0	0	113.2	D552 E598	G548-D552 WeakPolarHBondContact CA-OD2 3.24Å; G548-E598 VanDerWaalsContact C-OE1 3.24Å; G548-E598 WeakPolarHBondContact CA-OE1 3.27Å; G548-E598 WeakPolarHBondContact CA-OE2 3.45Å
549	S	89.1	Confident	92.2	Very high	36 Å²	36	83.7 Å²	83.7	25%	0.252	39%	0.39	S	S	.	.			trans	-59.5	143.8	170.8	-177.8	0	0	0	0	110	W551 D552 E598	S549-W551 PolarHBondContact O-N 2.9Å; S549-W551 VanDerWaalsContact O-N 3.09Å; S549-W551 PolarHBondContact OG-N 2.93Å; S549-D552 WeakPolarHBondContact CB-OD1 3.44Å; S549-D552 PolarHBondContact N-OD2 2.83Å; S549-D552 PolarHBondContact O-N 3.34Å; S549-E598 PolarHBondContact N-OE1 3.38Å; S549-E598 PolarHBondContact N-OE2 3.28Å
550	E	87.5	Confident	92.1	Very high	154 Å²	154	78.4 Å²	78.4	72%	0.72	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.7	176	-71.8	-170.1	160.7	0	0	113.2	R556	E550-R556 VanDerWaalsContact CA-NH2 3.26Å; E550-R556 PolarHBondContact O-NH2 3.07Å
551	W	89.2	Confident	91.8	Very high	217 Å²	217	85.9 Å²	85.9	82%	0.822	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	10.7	-174.8	-55.9	90.2	0	0	0	113.9	S549 Q553	S549-W551 PolarHBondContact O-N 2.9Å; S549-W551 VanDerWaalsContact O-N 3.09Å; S549-W551 PolarHBondContact OG-N 2.93Å; W551-Q553 PolarHBondContact O-N 3.36Å
552	D	89.1	Confident	91.6	Very high	26 Å²	26	84.8 Å²	84.8	14%	0.139	41%	0.407	C	S	.	.			trans	-52.9	134.9	173.9	-77	-25.5	0	0	0	111.5	G548 S549 R591	G548-D552 WeakPolarHBondContact CA-OD2 3.24Å; S549-D552 WeakPolarHBondContact CB-OD1 3.44Å; S549-D552 PolarHBondContact N-OD2 2.83Å; S549-D552 PolarHBondContact O-N 3.34Å; D552-R591 VanDerWaalsContact CG-NH2 3.32Å; D552-R591 IonicContact OD2-CZ 2.7Å; D552-R591 IonicContact OD2-NE 3.87Å; D552-R591 IonicContact OD2-NH2 2.88Å; D552-R591 PolarHBondContact OD2-NH2 3.45Å
553	Q	89.6	Confident	91.1	Very high	186 Å²	186	80.3 Å²	80.3	87%	0.869	40%	0.397	S	S	*	.	S	Bend	trans	-76.4	-31.5	-179.4	-59.5	-175.7	4.3	0	0	111.7	W551 D594	W551-Q553 PolarHBondContact O-N 3.36Å; Q553-D594 PolarHBondContact N-OD2 2.97Å
554	N	91.6	Very high	90.7	Very high	49 Å²	49	79.5 Å²	79.5	26%	0.262	39%	0.391	S	S	.	.	S	Bend	trans	-76.7	140.8	-178.8	-82.3	-66.5	0	0	0	112.7	R556 R591 I592 D594	N554-R556 PolarHBondContact O-N 3.04Å; N554-R591 PolarHBondContact O-NH1 2.98Å; N554-I592 HydrophobicContact CB-CB 4.07Å; N554-I592 HydrophobicContact CB-CG2 4.03Å; N554-D594 PolarHBondContact ND2-OD1 2.85Å
555	R	91	Very high	90.4	Very high	211 Å²	211	80.4 Å²	80.4	80%	0.796	40%	0.397	S	S	*	.			trans	-55	126.4	178	-68.7	-175	178.7	-169	0.1	111.4	L557 R591	R555-L557 PolarHBondContact O-N 3.26Å; R555-L557 VanDerWaalsContact O-N 3.13Å; R555-R591 PolarHBondContact O-NH1 2.89Å
556	R	91.1	Very high	90.2	Very high	86 Å²	86	78.7 Å²	78.7	33%	0.325	39%	0.386	S	S	.	.	S	Bend	trans	-57.7	-26.7	-176.4	-67.2	-176.9	-174.6	-116.6	7.1	115.5	S545 E550 N554 R591	S545-R556 PolarHBondContact O-NH1 3.22Å; E550-R556 VanDerWaalsContact CA-NH2 3.26Å; E550-R556 PolarHBondContact O-NH2 3.07Å; N554-R556 PolarHBondContact O-N 3.04Å; R556-R591 WeakPolarHBondContact O-CD 3.44Å
557	L	93.2	Very high	90.3	Very high	47 Å²	47	72.7 Å²	72.7	25%	0.246	36%	0.358	C	S	.	.			trans	-139.6	119.3	179.6	-157.6	76.8	0	0	0	111	K541 L544 R555 F589	K541-L557 HydrophobicContact CD-CD2 4.27Å; K541-L557 HydrophobicContact CG-CD2 3.93Å; L544-L557 HydrophobicContact CB-CD1 3.86Å; L544-L557 HydrophobicContact CD1-CD1 4.02Å; R555-L557 PolarHBondContact O-N 3.26Å; R555-L557 VanDerWaalsContact O-N 3.13Å; L557-F589 HydrophobicContact CD1-CB 3.87Å; L557-F589 HydrophobicContact CD1-CD1 4.06Å; L557-F589 HydrophobicContact CD1-CG 3.94Å; L557-F589 HydrophobicContact CD2-CD1 3.8Å; L557-F589 HydrophobicContact CD2-CE1 3.9Å; L557-F589 HydrophobicContact CD2-CG 4.41Å; L557-F589 HydrophobicContact CG-CB 4.46Å; L557-F589 HydrophobicContact CG-CD1 3.9Å; L557-F589 HydrophobicContact CG-CG 4.3Å
558	I	94.9	Very high	90.4	Very high	41 Å²	41	74 Å²	74	21%	0.21	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.9	171.7	-57.5	174.1	0	0	0	107.1	L560 F589 A590 I592	I558-L560 PolarHBondContact O-N 2.88Å; I558-F589 CarbonylContact O-C 3.52Å; I558-F589 WeakPolarHBondContact O-CA 3.23Å; I558-A590 HydrophobicContact CB-CB 4.5Å; I558-A590 PolarHBondContact N-O 3.23Å; I558-A590 PolarHBondContact O-N 3.5Å; I558-I592 HydrophobicContact CD1-CD1 3.72Å; I558-I592 HydrophobicContact CD1-CG1 3.95Å
559	T	94.9	Very high	90.5	Very high	104 Å²	104	76.6 Å²	76.6	64%	0.638	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	124	174.9	-52.7	0	0	0	0	109.8
560	L	94.5	Very high	90.7	Very high	4 Å²	4	76.7 Å²	76.7	2%	0.021	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	142.9	177	-56.8	179.3	0	0	0	110.7	I558 A570 A579 E581 G588 A590	I558-L560 PolarHBondContact O-N 2.88Å; L560-A570 HydrophobicContact CD2-CB 3.56Å; L560-A579 HydrophobicContact CD1-CB 4.33Å; L560-E581 HydrophobicContact CD1-CG 4Å; L560-G588 PolarHBondContact N-O 2.98Å; L560-G588 PolarHBondContact O-N 2.92Å; L560-A590 HydrophobicContact CD1-CB 4.38Å; L560-A590 HydrophobicContact CD2-CB 3.92Å; L560-A590 HydrophobicContact CG-CB 4.31Å
561	K	90.6	Very high	90.9	Very high	157 Å²	157	69.7 Å²	69.7	68%	0.683	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-66.7	146.4	176.9	-67.8	174.2	-179.3	172	0	110.5
562	P	89.5	Confident	91	Very high	92 Å²	92	62.6 Å²	62.6	60%	0.597	34%	0.34	S	S	*	.	S	Bend	trans	-63.9	151.7	168.2	30.3	-35.6	0	0	0	110.6	T585	P562-T585 WeakPolarHBondContact CB-O 3.47Å
563	G	85.1	Confident	91	Very high	35 Å²	35	62.8 Å²	62.8	36%	0.361	34%	0.343	S	S	.	.	S	Bend	trans	121.6	1.9	-178.1	0	0	0	0	0	115.6	R486 S565 T584	R486-G563 WeakPolarHBondContact CD-O 3.38Å; R486-G563 WeakPolarHBondContact CG-O 3.5Å; G563-S565 PolarHBondContact O-N 2.88Å; G563-T584 PolarHBondContact N-O 2.81Å
564	G	86.3	Confident	90.8	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.01	31%	0.314	C	S	.	.	S	Bend	trans	75.4	18.5	173.1	0	0	0	0	0	115.5	R486 K489 G566 E581	R486-G564 WeakPolarHBondContact CG-O 3.5Å; K489-G564 WeakPolarHBondContact CD-O 3.14Å; K489-G564 PolarHBondContact NZ-O 2.96Å; G564-G566 VanDerWaalsContact C-N 3.27Å; G564-G566 PolarHBondContact O-N 2.85Å; G564-E581 WeakPolarHBondContact CA-OE1 3.39Å
565	S	87.6	Confident	90.7	Very high	19 Å²	19	58.5 Å²	58.5	13%	0.133	32%	0.32	C	S	.	.			trans	-71.2	-18.4	-179.2	55.2	0	0	0	0	114.1	G563 Y568 E581	G563-S565 PolarHBondContact O-N 2.88Å; S565-Y568 VanDerWaalsContact O-CB 3.32Å; S565-Y568 WeakPolarHBondContact O-CB 3.46Å; S565-Y568 PolarHBondContact O-N 2.97Å; S565-E581 PolarHBondContact N-OE1 2.76Å; S565-E581 VanDerWaalsContact N-OE1 3.14Å
566	G	90.3	Very high	90.8	Very high	6 Å²	6	48.9 Å²	48.9	6%	0.062	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	-140	-171.4	0	0	0	0	0	111.5	G564 Y568 E581	G564-G566 VanDerWaalsContact C-N 3.27Å; G564-G566 PolarHBondContact O-N 2.85Å; G566-Y568 PolarHBondContact O-N 2.82Å; G566-E581 VanDerWaalsContact CA-CD 3.44Å; G566-E581 WeakPolarHBondContact CA-OE1 3.22Å; G566-E581 WeakPolarHBondContact CA-OE2 3.21Å; G566-E581 PolarHBondContact N-OE1 3.05Å; G566-E581 PolarHBondContact N-OE2 2.98Å
567	A	92.8	Very high	91	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.2	176.8	0	0	0	0	0	114.3	T475 G569 A570 I571 Y577 A579	T475-A567 HydrophobicContact CG2-CB 3.77Å; A567-G569 PolarHBondContact O-N 3.12Å; A567-A570 PolarHBondContact O-N 3.12Å; A567-I571 HydrophobicContact CB-CB 4.26Å; A567-I571 HydrophobicContact CB-CD1 3.6Å; A567-I571 HydrophobicContact CB-CG1 4.07Å; A567-I571 PolarHBondContact O-N 3.32Å; A567-Y577 HydrophobicContact CB-CD2 4.06Å; A567-Y577 HydrophobicContact CB-CE1 4.09Å; A567-Y577 HydrophobicContact CB-CE2 3.39Å; A567-Y577 VanDerWaalsContact CB-CZ 3.4Å; A567-A579 HydrophobicContact CB-CB 4.17Å
568	Y	92.7	Very high	91.1	Very high	64 Å²	64	42.7 Å²	42.7	25%	0.251	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	121.9	-175.5	-174.2	-87.7	0	0	0	111.9	T474 L477 I482 S565 G566 A570	T474-Y568 WeakPolarHBondContact O-CD2 3.49Å; L477-Y568 WeakPolarHBondContact O-CE2 3.01Å; I482-Y568 HydrophobicContact CD1-CD2 3.93Å; I482-Y568 HydrophobicContact CD1-CG 4.07Å; I482-Y568 HydrophobicContact CG1-CD2 3.69Å; I482-Y568 HydrophobicContact CG1-CE2 4.04Å; I482-Y568 HydrophobicContact CG1-CG 3.94Å; I482-Y568 HydrophobicContact CG2-CD1 4.18Å; I482-Y568 HydrophobicContact CG2-CG 4.19Å; S565-Y568 VanDerWaalsContact O-CB 3.32Å; S565-Y568 WeakPolarHBondContact O-CB 3.46Å; S565-Y568 PolarHBondContact O-N 2.97Å; G566-Y568 PolarHBondContact O-N 2.82Å; Y568-A570 PolarHBondContact O-N 3.28Å
569	G	89.9	Confident	91.1	Very high	73 Å²	73	40.9 Å²	40.9	75%	0.753	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.7	2.9	-177.1	0	0	0	0	0	115.2	A567	A567-G569 PolarHBondContact O-N 3.12Å
570	A	92.8	Very high	91.1	Very high	39 Å²	39	35.9 Å²	35.9	32%	0.322	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-28.4	173.3	0	0	0	0	0	112.7	L560 A567 Y568	L560-A570 HydrophobicContact CD2-CB 3.56Å; A567-A570 PolarHBondContact O-N 3.12Å; Y568-A570 PolarHBondContact O-N 3.28Å
571	I	93.3	Very high	91.2	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	22%	0.219	C	C	.	.	S	Bend	trans	-123.4	132.8	179.2	-54	177.6	0	0	0	108.6	T475 A567 F575 Y577 A590 I592	T475-I571 HydrophobicContact CG2-CB 4.1Å; T475-I571 VanDerWaalsContact CG2-O 3.23Å; T475-I571 WeakPolarHBondContact CG2-O 3.18Å; A567-I571 HydrophobicContact CB-CB 4.26Å; A567-I571 HydrophobicContact CB-CD1 3.6Å; A567-I571 HydrophobicContact CB-CG1 4.07Å; A567-I571 PolarHBondContact O-N 3.32Å; I571-F575 HydrophobicContact CG2-CB 4.33Å; I571-Y577 HydrophobicContact CB-CD1 4.41Å; I571-Y577 HydrophobicContact CD1-CD1 3.89Å; I571-Y577 HydrophobicContact CD1-CD2 3.78Å; I571-Y577 HydrophobicContact CD1-CE1 4.46Å; I571-Y577 HydrophobicContact CD1-CE2 4.37Å; I571-Y577 HydrophobicContact CD1-CG 3.52Å; I571-Y577 HydrophobicContact CG2-CD1 3.75Å; I571-Y577 HydrophobicContact CG2-CE1 4.31Å; I571-Y577 HydrophobicContact CG2-CG 4.33Å; I571-A590 HydrophobicContact CD1-CB 3.57Å; I571-A590 HydrophobicContact CG1-CB 4.35Å; I571-I592 HydrophobicContact CG1-CG1 4.46Å; I571-I592 HydrophobicContact CG2-CD1 3.86Å; I571-I592 HydrophobicContact CG2-CG1 3.74Å
572	P	90.8	Very high	91.4	Very high	68 Å²	68	28.8 Å²	28.8	44%	0.442	19%	0.188	S	C	.	.			trans	-66.9	154.8	174.3	-16.4	30.1	0	0	0	112.2	F575	P572-F575 HydrophobicContact CB-CD2 3.89Å; P572-F575 HydrophobicContact CB-CE2 4.12Å; P572-F575 HydrophobicContact CG-CD2 4.27Å; P572-F575 HydrophobicContact CG-CE2 4.38Å
573	P	88.5	Confident	91.5	Very high	31 Å²	31	24.4 Å²	24.4	20%	0.201	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	167.6	171.5	27	-33.6	0	0	0	112	Q315 R476 F575	Q315-P573 WeakPolarHBondContact O-CG 3.43Å; R476-P573 HydrophobicContact CG-CB 3.84Å; P573-F575 WeakPolarHBondContact O-CD2 3.43Å; P573-F575 PolarHBondContact O-N 3.14Å
574	K	85.6	Confident	91.5	Very high	56 Å²	56	23.6 Å²	23.6	24%	0.243	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-18.7	-172.2	-62.6	-172.4	173.2	-172.9	0	117.1	N313 D314 P514	N313-K574 WeakPolarHBondContact O-CE 3.36Å; N313-K574 PolarHBondContact O-NZ 2.81Å; D314-K574 IonicContact OD1-NZ 2.63Å; D314-K574 PolarHBondContact OD1-NZ 2.87Å; P514-K574 VanDerWaalsContact CG-C 3.47Å; P514-K574 WeakPolarHBondContact CG-O 3.28Å
575	F	89.9	Confident	91.5	Very high	89 Å²	89	28.6 Å²	28.6	39%	0.39	18%	0.179	S	C	.	.			trans	-77.9	134.9	175.8	-73.3	-85.8	0	0	0	113	P514 I571 P572 P573 Y577 I592	P514-F575 WeakPolarHBondContact CG-O 3.2Å; I571-F575 HydrophobicContact CG2-CB 4.33Å; P572-F575 HydrophobicContact CB-CD2 3.89Å; P572-F575 HydrophobicContact CB-CE2 4.12Å; P572-F575 HydrophobicContact CG-CD2 4.27Å; P572-F575 HydrophobicContact CG-CE2 4.38Å; P573-F575 WeakPolarHBondContact O-CD2 3.43Å; P573-F575 PolarHBondContact O-N 3.14Å; F575-Y577 VanDerWaalsContact O-CD1 3.31Å; F575-Y577 WeakPolarHBondContact O-CD1 3.44Å; F575-I592 HydrophobicContact CB-CG2 4.01Å; F575-I592 HydrophobicContact CD1-CG2 3.83Å; F575-I592 HydrophobicContact CG-CG2 4.25Å
576	A	92.6	Very high	91.3	Very high	9 Å²	9	33.1 Å²	33.1	7%	0.074	20%	0.201	C	C	.	.			trans	-77.7	135.3	175.5	0	0	0	0	0	110.4	A511 S512 I592 L593 I599	A511-A576 VanDerWaalsContact O-CA 3.29Å; A511-A576 WeakPolarHBondContact O-CA 3.47Å; S512-A576 WeakPolarHBondContact O-CB 3.19Å; A576-I592 WeakPolarHBondContact O-CA 3.29Å; A576-L593 PolarHBondContact O-N 3.01Å; A576-I599 HydrophobicContact CB-CD1 3.7Å
577	Y	94.4	Very high	91.3	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	159.7	-174.1	64.7	-102	0	0	0	115.3	T474 T475 E509 A511 A567 I571 F575 A579 R591	T474-Y577 PolarHBondContact N-OH 2.79Å; T474-Y577 PolarHBondContact OG1-OH 3.25Å; T475-Y577 HydrophobicContact CG2-CE1 3.73Å; E509-Y577 HydrophobicContact CB-CE2 4.36Å; E509-Y577 HydrophobicContact CG-CE2 4.14Å; E509-Y577 PolarHBondContact OE1-OH 3.45Å; E509-Y577 VanDerWaalsContact OE1-OH 3.11Å; E509-Y577 VanDerWaalsContact OE2-CE2 3.29Å; E509-Y577 WeakPolarHBondContact OE2-CE2 3.48Å; E509-Y577 PolarHBondContact OE2-OH 2.89Å; A511-Y577 HydrophobicContact CB-CD1 3.9Å; A511-Y577 HydrophobicContact CB-CD2 4Å; A511-Y577 HydrophobicContact CB-CE1 3.67Å; A511-Y577 HydrophobicContact CB-CE2 3.77Å; A511-Y577 HydrophobicContact CB-CG 4.06Å; A511-Y577 PolarHBondContact N-O 3.46Å; A511-Y577 PolarHBondContact O-N 3.03Å; A511-Y577 VanDerWaalsContact O-N 3.11Å; A567-Y577 HydrophobicContact CB-CD2 4.06Å; A567-Y577 HydrophobicContact CB-CE1 4.09Å; A567-Y577 HydrophobicContact CB-CE2 3.39Å; A567-Y577 VanDerWaalsContact CB-CZ 3.4Å; I571-Y577 HydrophobicContact CB-CD1 4.41Å; I571-Y577 HydrophobicContact CD1-CD1 3.89Å; I571-Y577 HydrophobicContact CD1-CD2 3.78Å; I571-Y577 HydrophobicContact CD1-CE1 4.46Å; I571-Y577 HydrophobicContact CD1-CE2 4.37Å; I571-Y577 HydrophobicContact CD1-CG 3.52Å; I571-Y577 HydrophobicContact CG2-CD1 3.75Å; I571-Y577 HydrophobicContact CG2-CE1 4.31Å; I571-Y577 HydrophobicContact CG2-CG 4.33Å; F575-Y577 VanDerWaalsContact O-CD1 3.31Å; F575-Y577 WeakPolarHBondContact O-CD1 3.44Å; Y577-A579 HydrophobicContact CD2-CB 3.94Å; Y577-A579 HydrophobicContact CE2-CB 4.06Å; Y577-R591 VanDerWaalsContact CA-O 3.24Å; Y577-R591 WeakPolarHBondContact CA-O 3.48Å; Y577-R591 WeakPolarHBondContact CB-O 3.25Å
578	L	95.3	Very high	91.4	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.6	162.2	175.4	57.9	0	0	0	108.3	I508 T510 L544 I547 A590 R591 I607	I508-L578 HydrophobicContact CG2-CD1 3.91Å; T510-L578 HydrophobicContact CG2-CD1 4.44Å; T510-L578 WeakPolarHBondContact OG1-CD1 3.44Å; L544-L578 HydrophobicContact CD2-CB 4.35Å; L544-L578 HydrophobicContact CD2-CD2 3.71Å; L544-L578 HydrophobicContact CD2-CG 3.95Å; I547-L578 HydrophobicContact CD1-CD2 4.41Å; L578-A590 VanDerWaalsContact O-CA 3.28Å; L578-A590 WeakPolarHBondContact O-CA 3.41Å; L578-R591 PolarHBondContact N-O 2.69Å; L578-R591 PolarHBondContact O-N 2.99Å; L578-I607 HydrophobicContact CD2-CD1 4.42Å
579	A	95.6	Very high	91.6	Very high	3 Å²	3	31.7 Å²	31.7	3%	0.025	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.6	178.9	0	0	0	0	0	110.7	I508 E509 L560 A567 Y577 A590	I508-A579 WeakPolarHBondContact CA-O 3.47Å; E509-A579 PolarHBondContact N-O 3.27Å; E509-A579 PolarHBondContact O-N 2.89Å; L560-A579 HydrophobicContact CD1-CB 4.33Å; A567-A579 HydrophobicContact CB-CB 4.17Å; Y577-A579 HydrophobicContact CD2-CB 3.94Å; Y577-A579 HydrophobicContact CE2-CB 4.06Å; A579-A590 HydrophobicContact CB-CB 4.01Å
580	V	96.2	Very high	91.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.5	179.5	59.2	0	0	0	0	110.6	V506 F507 I508 F540 L544 F582 G588 F589	V506-V580 HydrophobicContact CG1-CG2 3.43Å; V506-V580 VanDerWaalsContact CG1-CG2 3.43Å; F507-V580 CarbonylContact O-C 3.57Å; F507-V580 VanDerWaalsContact O-CA 3.31Å; F507-V580 WeakPolarHBondContact O-CA 3.46Å; I508-V580 HydrophobicContact CG1-CG2 4.24Å; F540-V580 HydrophobicContact CB-CG1 4.28Å; F540-V580 HydrophobicContact CD1-CB 4.09Å; F540-V580 HydrophobicContact CD1-CG1 3.69Å; F540-V580 HydrophobicContact CD1-CG2 4.08Å; F540-V580 HydrophobicContact CD2-CG2 4.2Å; F540-V580 HydrophobicContact CE1-CB 4.01Å; F540-V580 HydrophobicContact CE1-CG1 4.15Å; F540-V580 HydrophobicContact CE1-CG2 3.85Å; F540-V580 HydrophobicContact CE2-CG2 3.98Å; F540-V580 HydrophobicContact CG-CG1 4Å; F540-V580 HydrophobicContact CG-CG2 4.24Å; F540-V580 HydrophobicContact CZ-CB 4.45Å; F540-V580 HydrophobicContact CZ-CG2 3.79Å; L544-V580 HydrophobicContact CD1-CG1 4.01Å; V580-F582 HydrophobicContact CG1-CE2 4.41Å; V580-F582 HydrophobicContact CG1-CZ 4.11Å; V580-F582 HydrophobicContact CG2-CE1 3.93Å; V580-F582 HydrophobicContact CG2-CE2 4.48Å; V580-F582 HydrophobicContact CG2-CZ 3.85Å; V580-G588 CarbonylContact O-C 3.58Å; V580-G588 WeakPolarHBondContact O-CA 3.34Å; V580-F589 HydrophobicContact CG1-CB 4.05Å; V580-F589 WeakPolarHBondContact CG1-O 3.47Å; V580-F589 PolarHBondContact N-O 3.13Å; V580-F589 PolarHBondContact O-N 2.85Å
581	E	95.4	Very high	91.9	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.019	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.8	171.7	-63.7	177	118.8	0	0	111	K489 V506 F507 L560 G564 S565 G566 G587	K489-E581 IonicContact NZ-OE2 3.79Å; K489-E581 PolarHBondContact NZ-OE2 2.97Å; V506-E581 WeakPolarHBondContact CA-O 3.45Å; F507-E581 HydrophobicContact CB-CB 4.32Å; F507-E581 HydrophobicContact CD2-CB 4.48Å; F507-E581 PolarHBondContact N-O 3.43Å; F507-E581 PolarHBondContact O-N 3.42Å; L560-E581 HydrophobicContact CD1-CG 4Å; G564-E581 WeakPolarHBondContact CA-OE1 3.39Å; S565-E581 PolarHBondContact N-OE1 2.76Å; S565-E581 VanDerWaalsContact N-OE1 3.14Å; G566-E581 VanDerWaalsContact CA-CD 3.44Å; G566-E581 WeakPolarHBondContact CA-OE1 3.22Å; G566-E581 WeakPolarHBondContact CA-OE2 3.21Å; G566-E581 PolarHBondContact N-OE1 3.05Å; G566-E581 PolarHBondContact N-OE2 2.98Å; E581-G587 WeakPolarHBondContact CA-O 3.47Å
582	F	94.6	Very high	92	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	95.9	178.5	-53.2	-74.5	0	0	0	108	V506 Y533 L536 P537 F540 V580 N586 G587 F589	V506-F582 HydrophobicContact CG1-CD1 4.38Å; V506-F582 HydrophobicContact CG1-CE1 4.34Å; V506-F582 HydrophobicContact CG2-CD1 4.23Å; Y533-F582 HydrophobicContact CE2-CB 4.2Å; Y533-F582 PolarHBondContact OH-O 3.34Å; L536-F582 HydrophobicContact CB-CD1 4.36Å; L536-F582 HydrophobicContact CB-CE1 3.94Å; P537-F582 HydrophobicContact CB-CE2 4.21Å; P537-F582 HydrophobicContact CB-CZ 4.36Å; P537-F582 HydrophobicContact CG-CD1 4.25Å; P537-F582 HydrophobicContact CG-CD2 4.11Å; P537-F582 HydrophobicContact CG-CE1 4.3Å; P537-F582 HydrophobicContact CG-CE2 4.16Å; P537-F582 HydrophobicContact CG-CG 4.17Å; P537-F582 HydrophobicContact CG-CZ 4.26Å; F540-F582 HydrophobicContact CB-CZ 3.93Å; F540-F582 AromaticContact CD2-CE1 3.69Å; F540-F582 HydrophobicContact CD2-CE1 3.69Å; F540-F582 AromaticContact CD2-CZ 3.76Å; F540-F582 HydrophobicContact CD2-CZ 3.76Å; F540-F582 HydrophobicContact CE2-CE1 4.16Å; F540-F582 HydrophobicContact CG-CE1 4.4Å; F540-F582 HydrophobicContact CG-CZ 4.01Å; V580-F582 HydrophobicContact CG1-CE2 4.41Å; V580-F582 HydrophobicContact CG1-CZ 4.11Å; V580-F582 HydrophobicContact CG2-CE1 3.93Å; V580-F582 HydrophobicContact CG2-CE2 4.48Å; V580-F582 HydrophobicContact CG2-CZ 3.85Å; F582-N586 HydrophobicContact CB-CB 4.14Å; F582-N586 WeakPolarHBondContact O-CB 3.34Å; F582-N586 PolarHBondContact O-N 3.49Å; F582-G587 PolarHBondContact N-O 3.08Å; F582-F589 AromaticContact CE2-CD2 3.81Å; F582-F589 HydrophobicContact CE2-CD2 3.81Å; F582-F589 AromaticContact CE2-CE2 3.99Å; F582-F589 HydrophobicContact CE2-CE2 3.99Å; F582-F589 HydrophobicContact CZ-CD2 4.3Å
583	G	91	Very high	92	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-158.6	-167.7	0	0	0	0	0	112.7	C505 Y533	C505-G583 PolarHBondContact O-N 2.91Å; Y533-G583 PolarHBondContact OH-N 3.28Å
584	T	85.2	Confident	92	Very high	17 Å²	17	25.1 Å²	25.1	10%	0.104	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-25.1	175.6	-49.2	0	0	0	0	112.5	G563	G563-T584 PolarHBondContact N-O 2.81Å
585	T	87.2	Confident	92	Very high	106 Å²	106	26.9 Å²	26.9	65%	0.65	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-28.9	-165.4	48.5	0	0	0	0	115.3	P562 G587	P562-T585 WeakPolarHBondContact CB-O 3.47Å; T585-G587 VanDerWaalsContact C-N 3.29Å; T585-G587 PolarHBondContact O-N 3.3Å
586	N	83.4	Confident	91.7	Very high	114 Å²	114	26.4 Å²	26.4	61%	0.61	14%	0.142	S	C	*	.	S	Bend	trans	-83.1	-3.1	-177.3	-58.6	101.7	0	0	0	113.7	Y533 F582	Y533-N586 PolarHBondContact OH-OD1 3.34Å; F582-N586 HydrophobicContact CB-CB 4.14Å; F582-N586 WeakPolarHBondContact O-CB 3.34Å; F582-N586 PolarHBondContact O-N 3.49Å
587	G	90.6	Very high	91.3	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.031	17%	0.17	C	C	.	.			trans	71.1	-149.4	-173.2	0	0	0	0	0	111.9	E581 F582 T585	E581-G587 WeakPolarHBondContact CA-O 3.47Å; F582-G587 PolarHBondContact N-O 3.08Å; T585-G587 VanDerWaalsContact C-N 3.29Å; T585-G587 PolarHBondContact O-N 3.3Å
588	G	94.9	Very high	90.8	Very high	5 Å²	5	35.4 Å²	35.4	5%	0.052	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	-170.2	-172.7	0	0	0	0	0	114.9	L560 V580	L560-G588 PolarHBondContact N-O 2.98Å; L560-G588 PolarHBondContact O-N 2.92Å; V580-G588 CarbonylContact O-C 3.58Å; V580-G588 WeakPolarHBondContact O-CA 3.34Å
589	F	96.2	Very high	90.2	Very high	33 Å²	33	35.6 Å²	35.6	15%	0.145	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.5	174.5	-59.3	-55.2	0	0	0	110.7	P537 F540 K541 L544 L557 I558 V580 F582	P537-F589 HydrophobicContact CB-CE2 4.11Å; P537-F589 WeakPolarHBondContact O-CE2 3.3Å; F540-F589 HydrophobicContact CB-CD2 4.45Å; K541-F589 HydrophobicContact CB-CE2 4.16Å; L544-F589 HydrophobicContact CD1-CB 3.56Å; L557-F589 HydrophobicContact CD1-CB 3.87Å; L557-F589 HydrophobicContact CD1-CD1 4.06Å; L557-F589 HydrophobicContact CD1-CG 3.94Å; L557-F589 HydrophobicContact CD2-CD1 3.8Å; L557-F589 HydrophobicContact CD2-CE1 3.9Å; L557-F589 HydrophobicContact CD2-CG 4.41Å; L557-F589 HydrophobicContact CG-CB 4.46Å; L557-F589 HydrophobicContact CG-CD1 3.9Å; L557-F589 HydrophobicContact CG-CG 4.3Å; I558-F589 CarbonylContact O-C 3.52Å; I558-F589 WeakPolarHBondContact O-CA 3.23Å; V580-F589 HydrophobicContact CG1-CB 4.05Å; V580-F589 WeakPolarHBondContact CG1-O 3.47Å; V580-F589 PolarHBondContact N-O 3.13Å; V580-F589 PolarHBondContact O-N 2.85Å; F582-F589 AromaticContact CE2-CD2 3.81Å; F582-F589 HydrophobicContact CE2-CD2 3.81Å; F582-F589 AromaticContact CE2-CE2 3.99Å; F582-F589 HydrophobicContact CE2-CE2 3.99Å; F582-F589 HydrophobicContact CZ-CD2 4.3Å
590	A	95.6	Very high	89.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	153.8	164.9	0	0	0	0	0	112.1	I558 L560 I571 L578 A579	I558-A590 HydrophobicContact CB-CB 4.5Å; I558-A590 PolarHBondContact N-O 3.23Å; I558-A590 PolarHBondContact O-N 3.5Å; L560-A590 HydrophobicContact CD1-CB 4.38Å; L560-A590 HydrophobicContact CD2-CB 3.92Å; L560-A590 HydrophobicContact CG-CB 4.31Å; I571-A590 HydrophobicContact CD1-CB 3.57Å; I571-A590 HydrophobicContact CG1-CB 4.35Å; L578-A590 VanDerWaalsContact O-CA 3.28Å; L578-A590 WeakPolarHBondContact O-CA 3.41Å; A579-A590 HydrophobicContact CB-CB 4.01Å
591	R	94.5	Very high	89.5	Confident	1 Å²	1	41 Å²	41	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.6	170.3	173.9	74.9	-177.3	133	-26.4	107.4	L544 I547 D552 N554 R555 R556 Y577 L578 L593	L544-R591 HydrophobicContact CB-CB 4.35Å; L544-R591 HydrophobicContact CD2-CB 3.88Å; L544-R591 WeakPolarHBondContact O-CD 3.5Å; I547-R591 PolarHBondContact O-NE 3.3Å; D552-R591 VanDerWaalsContact CG-NH2 3.32Å; D552-R591 IonicContact OD2-CZ 2.7Å; D552-R591 IonicContact OD2-NE 3.87Å; D552-R591 IonicContact OD2-NH2 2.88Å; D552-R591 PolarHBondContact OD2-NH2 3.45Å; N554-R591 PolarHBondContact O-NH1 2.98Å; R555-R591 PolarHBondContact O-NH1 2.89Å; R556-R591 WeakPolarHBondContact O-CD 3.44Å; Y577-R591 VanDerWaalsContact CA-O 3.24Å; Y577-R591 WeakPolarHBondContact CA-O 3.48Å; Y577-R591 WeakPolarHBondContact CB-O 3.25Å; L578-R591 PolarHBondContact N-O 2.69Å; L578-R591 PolarHBondContact O-N 2.99Å; R591-L593 HydrophobicContact CG-CD1 3.78Å; R591-L593 HydrophobicContact CG-CD2 4.15Å; R591-L593 HydrophobicContact CG-CG 3.69Å
592	I	94.5	Very high	89.3	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.036	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	137.1	159	-63.1	170	0	0	0	106.8	N554 I558 I571 F575 A576	N554-I592 HydrophobicContact CB-CB 4.07Å; N554-I592 HydrophobicContact CB-CG2 4.03Å; I558-I592 HydrophobicContact CD1-CD1 3.72Å; I558-I592 HydrophobicContact CD1-CG1 3.95Å; I571-I592 HydrophobicContact CG1-CG1 4.46Å; I571-I592 HydrophobicContact CG2-CD1 3.86Å; I571-I592 HydrophobicContact CG2-CG1 3.74Å; F575-I592 HydrophobicContact CB-CG2 4.01Å; F575-I592 HydrophobicContact CD1-CG2 3.83Å; F575-I592 HydrophobicContact CG-CG2 4.25Å; A576-I592 WeakPolarHBondContact O-CA 3.29Å
593	L	90.7	Very high	89.2	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.021	23%	0.233	C	C	.	.			trans	-123.3	135.8	175.3	-75.2	141.4	0	0	0	110	I547 A576 R591 I599	I547-L593 HydrophobicContact CG2-CD1 3.7Å; I547-L593 HydrophobicContact CG2-CD2 4.08Å; A576-L593 PolarHBondContact O-N 3.01Å; R591-L593 HydrophobicContact CG-CD1 3.78Å; R591-L593 HydrophobicContact CG-CD2 4.15Å; R591-L593 HydrophobicContact CG-CG 3.69Å; L593-I599 HydrophobicContact CB-CD1 3.92Å; L593-I599 HydrophobicContact CB-CG1 3.98Å; L593-I599 HydrophobicContact CD1-CD1 3.89Å; L593-I599 HydrophobicContact CD1-CG1 3.35Å; L593-I599 HydrophobicContact CG-CD1 4.5Å; L593-I599 HydrophobicContact CG-CG1 4.25Å
594	D	88.3	Confident	89.3	Confident	66 Å²	66	43.7 Å²	43.7	35%	0.353	23%	0.233	S	C	.	.	S	Bend	trans	-81	-29.5	-171.7	-59.9	-11.6	0	0	0	110.2	Q553 N554	Q553-D594 PolarHBondContact N-OD2 2.97Å; N554-D594 PolarHBondContact ND2-OD1 2.85Å
595	E	85.4	Confident	89.7	Confident	93 Å²	93	44.1 Å²	44.1	44%	0.435	23%	0.233	S	C	.	.	S	Bend	trans	-102.8	107.7	175.7	-60.5	-160	177.6	0	0	113	H597 E598	E595-H597 PolarHBondContact O-N 3.42Å; E595-H597 IonicContact OE2-CE1 3.14Å; E595-H597 PolarHBondContact OE2-CE1 2.92Å; E595-H597 IonicContact OE2-ND1 2.75Å; E595-H597 PolarHBondContact OE2-ND1 3.16Å; E595-E598 HydrophobicContact CB-CG 4.12Å; E595-E598 PolarHBondContact O-N 3.41Å; E595-E598 VanDerWaalsContact O-N 3.14Å
596	E	83.3	Confident	90.1	Very high	79 Å²	79	41.6 Å²	41.6	37%	0.369	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-8.8	-178	-57.9	-170	122.9	0	0	116.2	K513	K513-E596 WeakPolarHBondContact CA-OE1 3.43Å; K513-E596 WeakPolarHBondContact CB-OE1 3.25Å; K513-E596 HydrophobicContact CG-CB 4.28Å; K513-E596 HydrophobicContact CG-CG 4.47Å; K513-E596 WeakPolarHBondContact CG-OE1 3.43Å; K513-E596 PolarHBondContact NZ-O 2.86Å; K513-E596 IonicContact NZ-OE2 3.03Å; K513-E596 PolarHBondContact NZ-OE2 3.47Å
597	H	85.1	Confident	90.7	Very high	143 Å²	143	37.2 Å²	37.2	66%	0.662	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-13.9	-174.1	85.8	-89.8	0	0	0	113.6	E595	E595-H597 PolarHBondContact O-N 3.42Å; E595-H597 IonicContact OE2-CE1 3.14Å; E595-H597 PolarHBondContact OE2-CE1 2.92Å; E595-H597 IonicContact OE2-ND1 2.75Å; E595-H597 PolarHBondContact OE2-ND1 3.16Å
598	E	83.4	Confident	90.9	Very high	55 Å²	55	37.1 Å²	37.1	26%	0.257	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-34.5	172.8	-56	-175.3	115.9	0	0	111.1	G548 S549 E595 S600	G548-E598 VanDerWaalsContact C-OE1 3.24Å; G548-E598 WeakPolarHBondContact CA-OE1 3.27Å; G548-E598 WeakPolarHBondContact CA-OE2 3.45Å; S549-E598 PolarHBondContact N-OE1 3.38Å; S549-E598 PolarHBondContact N-OE2 3.28Å; E595-E598 HydrophobicContact CB-CG 4.12Å; E595-E598 PolarHBondContact O-N 3.41Å; E595-E598 VanDerWaalsContact O-N 3.14Å; E598-S600 PolarHBondContact O-N 3.46Å
599	I	84.1	Confident	90.8	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.036	19%	0.186	C	C	.	.			trans	-75.5	86.1	173.2	-52.5	169.2	0	0	0	110.7	T510 S512 A576 L593	T510-I599 HydrophobicContact CG2-CG2 3.36Å; S512-I599 WeakPolarHBondContact CB-O 3.49Å; S512-I599 VanDerWaalsContact OG-CG2 3.28Å; S512-I599 WeakPolarHBondContact OG-CG2 3.14Å; S512-I599 PolarHBondContact OG-O 3.1Å; A576-I599 HydrophobicContact CB-CD1 3.7Å; L593-I599 HydrophobicContact CB-CD1 3.92Å; L593-I599 HydrophobicContact CB-CG1 3.98Å; L593-I599 HydrophobicContact CD1-CD1 3.89Å; L593-I599 HydrophobicContact CD1-CG1 3.35Å; L593-I599 HydrophobicContact CG-CD1 4.5Å; L593-I599 HydrophobicContact CG-CG1 4.25Å
600	S	88.8	Confident	90.8	Very high	37 Å²	37	37.4 Å²	37.4	26%	0.259	20%	0.201	S	C	.	.			trans	-62.5	140.7	159.9	-77.7	0	0	0	0	111.2	E598 Y602 S603	E598-S600 PolarHBondContact O-N 3.46Å; S600-Y602 PolarHBondContact O-N 3.46Å; S600-Y602 PolarHBondContact OG-OH 2.78Å; S600-S603 PolarHBondContact N-OG 3.42Å; S600-S603 WeakPolarHBondContact O-CB 3.32Å; S600-S603 PolarHBondContact O-N 3.17Å; S600-S603 PolarHBondContact O-OG 2.78Å
601	S	86.8	Confident	90.7	Very high	80 Å²	80	38.1 Å²	38.1	56%	0.559	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	14.5	178.8	60.3	0	0	0	0	115.1	R605	S601-R605 PolarHBondContact O-NH2 2.69Å
602	Y	92.6	Very high	90.6	Very high	54 Å²	54	39.4 Å²	39.4	21%	0.212	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	6.8	174.9	54.4	-100.6	0	0	0	112.1	S600 G604 R605 E606 W619 R620	S600-Y602 PolarHBondContact O-N 3.46Å; S600-Y602 PolarHBondContact OG-OH 2.78Å; Y602-G604 VanDerWaalsContact C-N 3.35Å; Y602-G604 PolarHBondContact O-N 3.2Å; Y602-R605 CarbonylContact O-C 3.49Å; Y602-R605 WeakPolarHBondContact O-CA 3.32Å; Y602-R605 WeakPolarHBondContact O-CB 3.4Å; Y602-R605 PolarHBondContact O-N 3.16Å; Y602-R605 VanDerWaalsContact O-N 3.07Å; Y602-E606 HydrophobicContact CD2-CB 4.46Å; Y602-E606 WeakPolarHBondContact CE2-OE2 3.49Å; Y602-E606 PolarHBondContact O-N 2.98Å; Y602-W619 AromaticContact CD2-CD1 3.76Å; Y602-R620 HydrophobicContact CD2-CG 4.09Å; Y602-R620 HydrophobicContact CE2-CG 3.82Å
603	S	92	Very high	90.6	Very high	14 Å²	14	46.4 Å²	46.4	10%	0.098	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-42.6	-174.2	-62.8	0	0	0	0	112.9	S600 E606 I607	S600-S603 PolarHBondContact N-OG 3.42Å; S600-S603 WeakPolarHBondContact O-CB 3.32Å; S600-S603 PolarHBondContact O-N 3.17Å; S600-S603 PolarHBondContact O-OG 2.78Å; S603-E606 WeakPolarHBondContact O-CB 3.33Å; S603-E606 PolarHBondContact O-N 3.09Å; S603-I607 WeakPolarHBondContact O-CG1 3.17Å; S603-I607 PolarHBondContact O-N 3.11Å
604	G	93	Very high	90.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-39.2	174.9	0	0	0	0	0	113.5	I508 Y602 E606 I607 I608	I508-G604 WeakPolarHBondContact CD1-O 3.44Å; Y602-G604 VanDerWaalsContact C-N 3.35Å; Y602-G604 PolarHBondContact O-N 3.2Å; G604-E606 VanDerWaalsContact C-N 3.35Å; G604-I607 PolarHBondContact O-N 2.88Å; G604-I608 PolarHBondContact O-N 3.29Å
605	R	94.2	Very high	90.9	Very high	26 Å²	26	52.3 Å²	52.3	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-37.4	172.7	-94	179.1	-81.9	123.1	2.7	112.3	M458 Y462 E524 I526 S601 Y602 I607 I608 A609 W619	M458-R605 HydrophobicContact CE-CB 4.37Å; M458-R605 HydrophobicContact CE-CG 4.22Å; M458-R605 WeakPolarHBondContact CE-O 3.49Å; M458-R605 HydrophobicContact SD-CB 3.99Å; M458-R605 HydrophobicContact SD-CG 3.79Å; Y462-R605 PolarHBondContact OH-NE 2.87Å; E524-R605 IonicContact OE1-CZ 2.73Å; E524-R605 VanDerWaalsContact OE1-CZ 3.22Å; E524-R605 IonicContact OE1-NE 3.22Å; E524-R605 PolarHBondContact OE1-NE 2.91Å; E524-R605 IonicContact OE1-NH2 3.59Å; E524-R605 PolarHBondContact OE1-NH2 2.72Å; E524-R605 VanDerWaalsContact OE2-CD 3.32Å; E524-R605 WeakPolarHBondContact OE2-CD 3.31Å; E524-R605 VanDerWaalsContact OE2-CG 3.27Å; E524-R605 WeakPolarHBondContact OE2-CG 3.35Å; E524-R605 IonicContact OE2-CZ 2.85Å; E524-R605 IonicContact OE2-NE 3.78Å; E524-R605 PolarHBondContact OE2-NE 2.62Å; E524-R605 IonicContact OE2-NH2 3.25Å; I526-R605 HydrophobicContact CD1-CG 3.94Å; S601-R605 PolarHBondContact O-NH2 2.69Å; Y602-R605 CarbonylContact O-C 3.49Å; Y602-R605 WeakPolarHBondContact O-CA 3.32Å; Y602-R605 WeakPolarHBondContact O-CB 3.4Å; Y602-R605 PolarHBondContact O-N 3.16Å; Y602-R605 VanDerWaalsContact O-N 3.07Å; R605-I607 VanDerWaalsContact C-N 3.34Å; R605-I607 PolarHBondContact O-N 2.69Å; R605-I608 PolarHBondContact O-N 2.94Å; R605-A609 WeakPolarHBondContact O-CB 3.46Å; R605-A609 PolarHBondContact O-N 3.44Å; R605-W619 HydrophobicContact CB-CB 3.88Å; R605-W619 PolarHBondContact NH1-O 2.94Å
606	E	95	Very high	91.3	Very high	52 Å²	52	51.2 Å²	51.2	24%	0.243	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-41.5	178.6	-175.7	138.7	-114.6	0	0	112	Y602 S603 G604 A609 G610 W619 R620	Y602-E606 HydrophobicContact CD2-CB 4.46Å; Y602-E606 WeakPolarHBondContact CE2-OE2 3.49Å; Y602-E606 PolarHBondContact O-N 2.98Å; S603-E606 WeakPolarHBondContact O-CB 3.33Å; S603-E606 PolarHBondContact O-N 3.09Å; G604-E606 VanDerWaalsContact C-N 3.35Å; E606-A609 PolarHBondContact O-N 3.37Å; E606-G610 PolarHBondContact O-N 2.88Å; E606-W619 HydrophobicContact CG-CZ2 4.34Å; E606-W619 PolarHBondContact OE1-NE1 2.91Å; E606-R620 IonicContact OE1-CZ 2.74Å; E606-R620 IonicContact OE1-NE 2.64Å; E606-R620 PolarHBondContact OE1-NE 3.32Å; E606-R620 IonicContact OE1-NH2 3.14Å; E606-R620 PolarHBondContact OE1-NH2 3.14Å; E606-R620 IonicContact OE2-NH2 2.86Å
607	I	95.2	Very high	91.8	Very high	23 Å²	23	55.3 Å²	55.3	12%	0.118	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-49.6	175.9	-61	163.3	0	0	0	110.9	F540 A543 I547 L578 S603 G604 R605 A609 A611	F540-I607 HydrophobicContact CD1-CB 4.37Å; F540-I607 HydrophobicContact CD1-CD1 3.69Å; F540-I607 HydrophobicContact CD1-CG2 3.9Å; F540-I607 HydrophobicContact CD2-CG2 4.04Å; F540-I607 HydrophobicContact CE1-CB 3.95Å; F540-I607 HydrophobicContact CE1-CD1 3.65Å; F540-I607 HydrophobicContact CE1-CG1 4.41Å; F540-I607 HydrophobicContact CE1-CG2 3.87Å; F540-I607 HydrophobicContact CE2-CG2 4Å; F540-I607 HydrophobicContact CG-CG2 4Å; F540-I607 HydrophobicContact CZ-CB 4.1Å; F540-I607 HydrophobicContact CZ-CG2 3.92Å; A543-I607 HydrophobicContact CB-CD1 3.59Å; A543-I607 HydrophobicContact CB-CG1 3.71Å; A543-I607 HydrophobicContact CB-CG2 4.32Å; I547-I607 HydrophobicContact CD1-CD1 4.13Å; L578-I607 HydrophobicContact CD2-CD1 4.42Å; S603-I607 WeakPolarHBondContact O-CG1 3.17Å; S603-I607 PolarHBondContact O-N 3.11Å; G604-I607 PolarHBondContact O-N 2.88Å; R605-I607 VanDerWaalsContact C-N 3.34Å; R605-I607 PolarHBondContact O-N 2.69Å; I607-A609 VanDerWaalsContact C-N 3.35Å; I607-A609 PolarHBondContact O-N 2.85Å; I607-A611 WeakPolarHBondContact O-CB 3.34Å; I607-A611 PolarHBondContact O-N 3.03Å; I607-A611 VanDerWaalsContact O-N 3.08Å
608	I	95	Very high	92.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-37.8	178	-68.4	-176.6	0	0	0	111.6	M458 V506 I508 I526 V528 F540 G604 R605 A611 L612	M458-I608 HydrophobicContact CE-CB 4.32Å; M458-I608 HydrophobicContact CE-CG2 4.05Å; V506-I608 HydrophobicContact CB-CD1 3.91Å; V506-I608 HydrophobicContact CG1-CD1 3.91Å; V506-I608 HydrophobicContact CG2-CD1 4.28Å; I508-I608 HydrophobicContact CD1-CD1 3.74Å; I508-I608 HydrophobicContact CD1-CG1 4.4Å; I526-I608 HydrophobicContact CB-CD1 4.23Å; I526-I608 HydrophobicContact CD1-CD1 3.95Å; I526-I608 HydrophobicContact CG2-CD1 4.16Å; I526-I608 HydrophobicContact CG2-CG2 4.15Å; V528-I608 HydrophobicContact CG2-CD1 4.47Å; V528-I608 HydrophobicContact CG2-CG2 4.22Å; F540-I608 HydrophobicContact CE2-CD1 4.23Å; F540-I608 HydrophobicContact CE2-CG1 3.74Å; F540-I608 HydrophobicContact CZ-CD1 4.09Å; F540-I608 HydrophobicContact CZ-CG1 3.69Å; G604-I608 PolarHBondContact O-N 3.29Å; R605-I608 PolarHBondContact O-N 2.94Å; I608-A611 CarbonylContact O-C 3.56Å; I608-A611 PolarHBondContact O-N 3.12Å; I608-L612 HydrophobicContact CG2-CD1 3.62Å; I608-L612 HydrophobicContact CG2-CG 4.29Å; I608-L612 WeakPolarHBondContact O-CB 3.41Å; I608-L612 WeakPolarHBondContact O-CG 3.25Å; I608-L612 PolarHBondContact O-N 3.45Å
609	A	94.4	Very high	92.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71.8	-35.4	-176.9	0	0	0	0	0	112.8	M458 R605 E606 I607 L612 D613 K614 W619	M458-A609 HydrophobicContact CE-CB 3.57Å; M458-A609 HydrophobicContact SD-CB 4.15Å; R605-A609 WeakPolarHBondContact O-CB 3.46Å; R605-A609 PolarHBondContact O-N 3.44Å; E606-A609 PolarHBondContact O-N 3.37Å; I607-A609 VanDerWaalsContact C-N 3.35Å; I607-A609 PolarHBondContact O-N 2.85Å; A609-L612 CarbonylContact O-C 3.2Å; A609-L612 PolarHBondContact O-N 3.34Å; A609-D613 PolarHBondContact O-N 3.45Å; A609-K614 HydrophobicContact CB-CB 4.27Å; A609-K614 PolarHBondContact O-N 3.14Å; A609-W619 HydrophobicContact CB-CD2 3.65Å; A609-W619 HydrophobicContact CB-CE3 3.21Å; A609-W619 HydrophobicContact CB-CG 4.43Å; A609-W619 HydrophobicContact CB-CH2 3.62Å; A609-W619 HydrophobicContact CB-CZ2 4.05Å; A609-W619 HydrophobicContact CB-CZ3 3.2Å
610	G	94.4	Very high	92.8	Very high	45 Å²	45	54.5 Å²	54.5	46%	0.464	28%	0.279	S	S	.	.	H	α-helix	trans	-64.7	-41.7	168.2	0	0	0	0	0	111.9	E606 L612 D613	E606-G610 PolarHBondContact O-N 2.88Å; G610-L612 PolarHBondContact O-N 3.2Å; G610-D613 PolarHBondContact O-N 3Å
611	A	94.1	Very high	92.8	Very high	15 Å²	15	61.4 Å²	61.4	12%	0.124	31%	0.305	C	S	.	.	H	α-helix	trans	-67.4	-16.6	175.1	0	0	0	0	0	114	L532 L536 Y539 I607 I608	L532-A611 HydrophobicContact CD1-CB 4.2Å; L532-A611 WeakPolarHBondContact CD1-O 3.22Å; L532-A611 HydrophobicContact CD2-CB 3.98Å; L532-A611 WeakPolarHBondContact CD2-O 3.45Å; L532-A611 HydrophobicContact CG-CB 4.48Å; L536-A611 HydrophobicContact CD2-CB 4.02Å; Y539-A611 HydrophobicContact CD2-CB 4.41Å; Y539-A611 HydrophobicContact CG-CB 4.43Å; I607-A611 WeakPolarHBondContact O-CB 3.34Å; I607-A611 PolarHBondContact O-N 3.03Å; I607-A611 VanDerWaalsContact O-N 3.08Å; I608-A611 CarbonylContact O-C 3.56Å; I608-A611 PolarHBondContact O-N 3.12Å
612	L	93.2	Very high	93	Very high	27 Å²	27	59.4 Å²	59.4	14%	0.141	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	9.4	179.7	-76.6	174.6	0	0	0	114.4	T459 V528 L532 I608 A609 G610 K614	T459-L612 HydrophobicContact CG2-CD1 3.55Å; V528-L612 HydrophobicContact CG1-CD2 4.28Å; L532-L612 HydrophobicContact CD2-CD2 3.5Å; L532-L612 HydrophobicContact CD2-CG 3.76Å; I608-L612 HydrophobicContact CG2-CD1 3.62Å; I608-L612 HydrophobicContact CG2-CG 4.29Å; I608-L612 WeakPolarHBondContact O-CB 3.41Å; I608-L612 WeakPolarHBondContact O-CG 3.25Å; I608-L612 PolarHBondContact O-N 3.45Å; A609-L612 CarbonylContact O-C 3.2Å; A609-L612 PolarHBondContact O-N 3.34Å; G610-L612 PolarHBondContact O-N 3.2Å; L612-K614 HydrophobicContact CB-CD 4.46Å; L612-K614 HydrophobicContact CB-CG 3.88Å; L612-K614 WeakPolarHBondContact O-CD 3.45Å; L612-K614 WeakPolarHBondContact O-CE 3.3Å; L612-K614 PolarHBondContact O-N 3.43Å; L612-K614 PolarHBondContact O-NZ 3.19Å; L612-K614 VanDerWaalsContact O-NZ 3.09Å
613	D	94.1	Very high	93	Very high	155 Å²	155	63.8 Å²	63.8	83%	0.829	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	51.4	-176.7	-68.5	-52.4	0	0	0	113.6	A609 G610	A609-D613 PolarHBondContact O-N 3.45Å; G610-D613 PolarHBondContact O-N 3Å
614	K	93	Very high	93	Very high	87 Å²	87	69.5 Å²	69.5	38%	0.378	34%	0.339	S	S	.	.			trans	-98.4	157.5	-178.6	-60.3	-49.7	-179.1	-137.3	0	113.4	A609 L612 L618 W619	A609-K614 HydrophobicContact CB-CB 4.27Å; A609-K614 PolarHBondContact O-N 3.14Å; L612-K614 HydrophobicContact CB-CD 4.46Å; L612-K614 HydrophobicContact CB-CG 3.88Å; L612-K614 WeakPolarHBondContact O-CD 3.45Å; L612-K614 WeakPolarHBondContact O-CE 3.3Å; L612-K614 PolarHBondContact O-N 3.43Å; L612-K614 PolarHBondContact O-NZ 3.19Å; L612-K614 VanDerWaalsContact O-NZ 3.09Å; K614-L618 HydrophobicContact CB-CD1 4.33Å; K614-W619 HydrophobicContact CB-CZ3 3.94Å; K614-W619 VanDerWaalsContact O-CH2 3.27Å; K614-W619 WeakPolarHBondContact O-CH2 3.44Å; K614-W619 VanDerWaalsContact O-CZ3 3.26Å; K614-W619 WeakPolarHBondContact O-CZ3 3.47Å
615	E	93.1	Very high	92.9	Very high	107 Å²	107	71.6 Å²	71.6	50%	0.5	35%	0.348	S	S	.	.			trans	-68.9	131.2	173.5	-81.4	-161.6	-161	0	0	112.3	R617 L618 W619	E615-R617 PolarHBondContact O-N 3.38Å; E615-R617 IonicContact OE1-NH1 3.53Å; E615-R617 VanDerWaalsContact OE2-CD 3.27Å; E615-R617 WeakPolarHBondContact OE2-CD 3.41Å; E615-R617 IonicContact OE2-CZ 3.6Å; E615-R617 IonicContact OE2-NE 3.57Å; E615-R617 IonicContact OE2-NH1 2.68Å; E615-R617 PolarHBondContact OE2-NH1 3.18Å; E615-L618 WeakPolarHBondContact O-CB 3.49Å; E615-L618 PolarHBondContact O-N 3.03Å; E615-W619 VanDerWaalsContact O-CE3 3.32Å; E615-W619 WeakPolarHBondContact O-CZ3 3.23Å
616	P	93.7	Very high	92.8	Very high	69 Å²	69	74.5 Å²	74.5	45%	0.448	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-53.8	-15.5	176.4	-30.4	36.4	0	0	0	116.7	L618 W619 R620	P616-L618 PolarHBondContact O-N 3.04Å; P616-W619 VanDerWaalsContact CA-CH2 3.41Å; P616-W619 HydrophobicContact CB-CH2 4.04Å; P616-W619 HydrophobicContact CB-CZ2 3.89Å; P616-W619 HydrophobicContact CB-CZ3 4.47Å; P616-W619 HydrophobicContact CG-CH2 3.75Å; P616-W619 HydrophobicContact CG-CZ2 3.86Å; P616-W619 HydrophobicContact CG-CZ3 4.46Å; P616-R620 WeakPolarHBondContact O-CB 3.4Å; P616-R620 PolarHBondContact O-N 3.25Å
617	R	92.7	Very high	92.7	Very high	165 Å²	165	77.3 Å²	77.3	62%	0.623	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-63.7	-26.2	172	-60.8	-174.6	-179.1	131.6	-10.1	112.7	E615 K621 P622	E615-R617 PolarHBondContact O-N 3.38Å; E615-R617 IonicContact OE1-NH1 3.53Å; E615-R617 VanDerWaalsContact OE2-CD 3.27Å; E615-R617 WeakPolarHBondContact OE2-CD 3.41Å; E615-R617 IonicContact OE2-CZ 3.6Å; E615-R617 IonicContact OE2-NE 3.57Å; E615-R617 IonicContact OE2-NH1 2.68Å; E615-R617 PolarHBondContact OE2-NH1 3.18Å; R617-K621 CarbonylContact O-C 3.54Å; R617-P622 VanDerWaalsContact O-CA 3.28Å; R617-P622 WeakPolarHBondContact O-CA 3.19Å
618	L	91.3	Very high	92.6	Very high	43 Å²	43	82.1 Å²	82.1	23%	0.225	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-81.6	-14	-174.9	-63.9	178.2	0	0	0	114.5	I456 M458 K614 E615 P616	I456-L618 HydrophobicContact CB-CD2 4.37Å; I456-L618 HydrophobicContact CG2-CD2 3.86Å; M458-L618 HydrophobicContact CG-CB 3.91Å; K614-L618 HydrophobicContact CB-CD1 4.33Å; E615-L618 WeakPolarHBondContact O-CB 3.49Å; E615-L618 PolarHBondContact O-N 3.03Å; P616-L618 PolarHBondContact O-N 3.04Å
619	W	90.9	Very high	92.4	Very high	14 Å²	14	87 Å²	87	5%	0.053	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-40.7	176.7	63.5	98.7	0	0	0	114.7	M458 Y602 R605 E606 A609 K614 E615 P616	M458-W619 HydrophobicContact SD-CB 3.92Å; Y602-W619 AromaticContact CD2-CD1 3.76Å; R605-W619 HydrophobicContact CB-CB 3.88Å; R605-W619 PolarHBondContact NH1-O 2.94Å; E606-W619 HydrophobicContact CG-CZ2 4.34Å; E606-W619 PolarHBondContact OE1-NE1 2.91Å; A609-W619 HydrophobicContact CB-CD2 3.65Å; A609-W619 HydrophobicContact CB-CE3 3.21Å; A609-W619 HydrophobicContact CB-CG 4.43Å; A609-W619 HydrophobicContact CB-CH2 3.62Å; A609-W619 HydrophobicContact CB-CZ2 4.05Å; A609-W619 HydrophobicContact CB-CZ3 3.2Å; K614-W619 HydrophobicContact CB-CZ3 3.94Å; K614-W619 VanDerWaalsContact O-CH2 3.27Å; K614-W619 WeakPolarHBondContact O-CH2 3.44Å; K614-W619 VanDerWaalsContact O-CZ3 3.26Å; K614-W619 WeakPolarHBondContact O-CZ3 3.47Å; E615-W619 VanDerWaalsContact O-CE3 3.32Å; E615-W619 WeakPolarHBondContact O-CZ3 3.23Å; P616-W619 VanDerWaalsContact CA-CH2 3.41Å; P616-W619 HydrophobicContact CB-CH2 4.04Å; P616-W619 HydrophobicContact CB-CZ2 3.89Å; P616-W619 HydrophobicContact CB-CZ3 4.47Å; P616-W619 HydrophobicContact CG-CH2 3.75Å; P616-W619 HydrophobicContact CG-CZ2 3.86Å; P616-W619 HydrophobicContact CG-CZ3 4.46Å
620	R	90.8	Very high	92.4	Very high	131 Å²	131	87.1 Å²	87.1	49%	0.494	42%	0.423	S	S	.	.	S	Bend	trans	-70.4	-40.3	-175	-61.1	-169.7	174.2	-171.5	-5.3	113	Y602 E606 P616	Y602-R620 HydrophobicContact CD2-CG 4.09Å; Y602-R620 HydrophobicContact CE2-CG 3.82Å; E606-R620 IonicContact OE1-CZ 2.74Å; E606-R620 IonicContact OE1-NE 2.64Å; E606-R620 PolarHBondContact OE1-NE 3.32Å; E606-R620 IonicContact OE1-NH2 3.14Å; E606-R620 PolarHBondContact OE1-NH2 3.14Å; E606-R620 IonicContact OE2-NH2 2.86Å; P616-R620 WeakPolarHBondContact O-CB 3.4Å; P616-R620 PolarHBondContact O-N 3.25Å
621	K	89.6	Confident	92.3	Very high	183 Å²	183	93 Å²	93	80%	0.796	43%	0.431	S	S	*	.	S	Bend	trans	-150.5	69.8	176.7	-66.6	-170	-179.6	176.8	0	110.2	R617	R617-K621 CarbonylContact O-C 3.54Å
622	P	91.4	Very high	92.3	Very high	37 Å²	37	98.1 Å²	98.1	24%	0.24	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-63.1	139	-176.2	29	-36	0	0	0	111.1	H455 R617	H455-P622 HydrophobicContact CB-CB 3.93Å; H455-P622 HydrophobicContact CB-CG 4.13Å; H455-P622 VanDerWaalsContact CD2-CB 3.48Å; H455-P622 WeakPolarHBondContact CD2-CB 3.46Å; R617-P622 VanDerWaalsContact O-CA 3.28Å; R617-P622 WeakPolarHBondContact O-CA 3.19Å
623	K	92.4	Very high	92.3	Very high	147 Å²	147	98.6 Å²	98.6	64%	0.639	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-72.9	143.4	174.4	-65.6	-178.9	179.8	179.4	0	109.6	H455 I456	H455-K623 WeakPolarHBondContact CA-O 3.12Å; H455-K623 WeakPolarHBondContact CB-O 3.44Å; I456-K623 HydrophobicContact CD1-CB 4.18Å; I456-K623 PolarHBondContact N-O 2.99Å
624	L	92.4	Very high	92.3	Very high	134 Å²	134	91.8 Å²	91.8	70%	0.702	42%	0.418	S	S	*	.	B	Isolated β-bridge	trans	-58.8	142.5	166.1	-63.6	177.3	0	0	0	109.7
625	E	89.6	Confident	92.4	Very high	43 Å²	43	90.5 Å²	90.5	20%	0.201	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-84.8	153.3	-179.4	-170.4	155	-148.5	0	0	110.7	S454 I456 H629 L630 K633	S454-E625 PolarHBondContact O-N 2.95Å; S454-E625 VanDerWaalsContact O-N 3.14Å; I456-E625 HydrophobicContact CG1-CB 4.15Å; I456-E625 HydrophobicContact CG1-CG 4.36Å; E625-H629 HydrophobicContact CG-CB 4.03Å; E625-L630 HydrophobicContact CB-CB 4.35Å; E625-L630 HydrophobicContact CB-CD1 4.41Å; E625-L630 HydrophobicContact CG-CB 4.23Å; E625-K633 VanDerWaalsContact OE2-CD 3.28Å; E625-K633 WeakPolarHBondContact OE2-CD 3.42Å; E625-K633 IonicContact OE2-NZ 3.71Å; E625-K633 PolarHBondContact OE2-NZ 3.12Å
626	N	93	Very high	92.5	Very high	88 Å²	88	89.5 Å²	89.5	47%	0.471	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-66.2	139.9	175.1	-175.7	24	0	0	0	109.6	E628 H629 L630	N626-E628 PolarHBondContact O-N 3.5Å; N626-E628 VanDerWaalsContact O-N 3.16Å; N626-H629 PolarHBondContact O-N 3.24Å; N626-H629 VanDerWaalsContact O-N 3.12Å; N626-L630 WeakPolarHBondContact O-CB 3.37Å; N626-L630 PolarHBondContact O-N 3.38Å
627	F	91.8	Very high	92.5	Very high	110 Å²	110	86.4 Å²	86.4	48%	0.482	40%	0.398	S	S	.	.	H	α-helix	trans	-56.6	-36.7	-173.4	179.2	-105.1	0	0	0	113.1	Y439 L630 R631	Y439-F627 AromaticContact CD1-CE2 4Å; Y439-F627 HydrophobicContact CD1-CE2 4Å; Y439-F627 HydrophobicContact CD2-CE2 4.24Å; Y439-F627 HydrophobicContact CE1-CD2 4.36Å; Y439-F627 AromaticContact CE1-CE2 3.78Å; Y439-F627 HydrophobicContact CE1-CE2 3.78Å; Y439-F627 HydrophobicContact CE2-CD2 4.25Å; Y439-F627 HydrophobicContact CE2-CE2 4.06Å; Y439-F627 HydrophobicContact CG-CE2 4.24Å; Y439-F627 AromaticContact CZ-CE2 3.84Å; F627-L630 PolarHBondContact O-N 2.94Å; F627-R631 WeakPolarHBondContact O-CB 3.37Å; F627-R631 PolarHBondContact O-N 2.72Å
628	E	92.9	Very high	92.5	Very high	125 Å²	125	83.3 Å²	83.3	58%	0.584	39%	0.39	S	S	*	.	H	α-helix	trans	-66.7	-46.9	177.9	-63.6	173.1	154.2	0	0	112.3	N626 L630 R631 Q632	N626-E628 PolarHBondContact O-N 3.5Å; N626-E628 VanDerWaalsContact O-N 3.16Å; E628-L630 VanDerWaalsContact C-N 3.33Å; E628-R631 PolarHBondContact O-N 2.82Å; E628-Q632 WeakPolarHBondContact O-CG 3.41Å; E628-Q632 PolarHBondContact O-N 3.4Å
629	H	92.3	Very high	92.6	Very high	101 Å²	101	86.7 Å²	86.7	47%	0.468	41%	0.408	S	S	.	.	H	α-helix	trans	-64.3	-41.9	176.4	-69.3	-152	0	0	0	110.5	E625 N626 R631 Q632 K633	E625-H629 HydrophobicContact CG-CB 4.03Å; N626-H629 PolarHBondContact O-N 3.24Å; N626-H629 VanDerWaalsContact O-N 3.12Å; H629-R631 VanDerWaalsContact C-N 3.34Å; H629-R631 PolarHBondContact O-N 3.13Å; H629-Q632 PolarHBondContact O-N 3.22Å; H629-K633 VanDerWaalsContact O-CB 3.23Å; H629-K633 WeakPolarHBondContact O-CB 3.45Å; H629-K633 PolarHBondContact O-N 3.3Å
630	L	92.8	Very high	92.7	Very high	4 Å²	4	88 Å²	88	2%	0.021	42%	0.416	C	S	.	.	H	α-helix	trans	-64.3	-38.7	178.8	-170.3	54	0	0	0	111.4	Y439 L440 E625 N626 F627 E628 K633 V634	Y439-L630 HydrophobicContact CE2-CD2 3.83Å; Y439-L630 HydrophobicContact CE2-CG 4.08Å; L440-L630 HydrophobicContact CD2-CD1 3.67Å; L440-L630 HydrophobicContact CD2-CD2 4.02Å; L440-L630 HydrophobicContact CD2-CG 3.76Å; E625-L630 HydrophobicContact CB-CB 4.35Å; E625-L630 HydrophobicContact CB-CD1 4.41Å; E625-L630 HydrophobicContact CG-CB 4.23Å; N626-L630 WeakPolarHBondContact O-CB 3.37Å; N626-L630 PolarHBondContact O-N 3.38Å; F627-L630 PolarHBondContact O-N 2.94Å; E628-L630 VanDerWaalsContact C-N 3.33Å; L630-K633 HydrophobicContact CD1-CD 4.08Å; L630-V634 WeakPolarHBondContact O-CG2 3Å; L630-V634 PolarHBondContact O-N 3.17Å
631	R	93.1	Very high	92.8	Very high	168 Å²	168	82 Å²	82	63%	0.634	39%	0.394	S	S	*	.	H	α-helix	trans	-66.7	-43.8	171.5	-176.9	-178	177.4	-163.9	-1.4	112.4	F627 E628 H629 V634 V635	F627-R631 WeakPolarHBondContact O-CB 3.37Å; F627-R631 PolarHBondContact O-N 2.72Å; E628-R631 PolarHBondContact O-N 2.82Å; H629-R631 VanDerWaalsContact C-N 3.34Å; H629-R631 PolarHBondContact O-N 3.13Å; R631-V634 PolarHBondContact O-N 2.91Å; R631-V635 WeakPolarHBondContact O-CG2 3.23Å; R631-V635 PolarHBondContact O-N 3.21Å
632	Q	93.9	Very high	92.7	Very high	123 Å²	123	80.8 Å²	80.8	58%	0.575	39%	0.39	S	S	*	.	H	α-helix	trans	-58.9	-48.5	175.7	-73.2	168.2	1	0	0	110.8	E628 H629 V634 V635 T636	E628-Q632 WeakPolarHBondContact O-CG 3.41Å; E628-Q632 PolarHBondContact O-N 3.4Å; H629-Q632 PolarHBondContact O-N 3.22Å; Q632-V634 PolarHBondContact O-N 3.4Å; Q632-V635 PolarHBondContact O-N 3.2Å; Q632-T636 WeakPolarHBondContact O-CG2 3.39Å; Q632-T636 PolarHBondContact O-N 2.85Å; Q632-T636 PolarHBondContact O-OG1 3.22Å
633	K	93.8	Very high	92.6	Very high	36 Å²	36	83.7 Å²	83.7	16%	0.157	41%	0.407	C	S	.	.	H	α-helix	trans	-55	-45.1	175.6	174	-174	174.2	-167.5	0	112.6	P453 H455 S457 E625 H629 L630 T636 F637	P453-K633 PolarHBondContact O-NZ 2.9Å; H455-K633 PolarHBondContact O-NZ 3Å; S457-K633 WeakPolarHBondContact OG-CE 3.48Å; S457-K633 PolarHBondContact OG-NZ 3.14Å; E625-K633 VanDerWaalsContact OE2-CD 3.28Å; E625-K633 WeakPolarHBondContact OE2-CD 3.42Å; E625-K633 IonicContact OE2-NZ 3.71Å; E625-K633 PolarHBondContact OE2-NZ 3.12Å; H629-K633 VanDerWaalsContact O-CB 3.23Å; H629-K633 WeakPolarHBondContact O-CB 3.45Å; H629-K633 PolarHBondContact O-N 3.3Å; L630-K633 HydrophobicContact CD1-CD 4.08Å; K633-T636 WeakPolarHBondContact CA-OG1 3.46Å; K633-T636 PolarHBondContact O-OG1 3.06Å; K633-F637 WeakPolarHBondContact O-CB 3.35Å; K633-F637 PolarHBondContact O-N 3.04Å
634	V	94.5	Very high	92.4	Very high	13 Å²	13	77.7 Å²	77.7	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-59.3	-54.9	173.6	171.9	0	0	0	0	110.7	Y439 L440 L452 L630 R631 Q632 T636 F637 E638	Y439-V634 WeakPolarHBondContact O-CG1 3.38Å; Y439-V634 WeakPolarHBondContact O-CG2 3.45Å; L440-V634 HydrophobicContact CD2-CG2 4.15Å; L452-V634 HydrophobicContact CD1-CB 4.05Å; L452-V634 HydrophobicContact CD1-CG1 4.37Å; L452-V634 HydrophobicContact CD1-CG2 3.59Å; L630-V634 WeakPolarHBondContact O-CG2 3Å; L630-V634 PolarHBondContact O-N 3.17Å; R631-V634 PolarHBondContact O-N 2.91Å; Q632-V634 PolarHBondContact O-N 3.4Å; V634-T636 VanDerWaalsContact C-N 3.31Å; V634-T636 PolarHBondContact O-N 3.45Å; V634-F637 PolarHBondContact O-N 2.94Å; V634-E638 WeakPolarHBondContact O-CB 3.39Å; V634-E638 PolarHBondContact O-N 2.87Å
635	V	94.7	Very high	92	Very high	60 Å²	60	72.5 Å²	72.5	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-38.5	-178.6	173.2	0	0	0	0	111.9	R631 Q632 F637 N639	R631-V635 WeakPolarHBondContact O-CG2 3.23Å; R631-V635 PolarHBondContact O-N 3.21Å; Q632-V635 PolarHBondContact O-N 3.2Å; V635-F637 VanDerWaalsContact C-N 3.31Å; V635-F637 PolarHBondContact O-N 3.43Å; V635-N639 WeakPolarHBondContact O-CB 3.2Å; V635-N639 PolarHBondContact O-N 3.28Å; V635-N639 PolarHBondContact O-ND2 2.94Å
636	T	93.9	Very high	91.3	Very high	85 Å²	85	75.7 Å²	75.7	52%	0.521	37%	0.367	S	S	.	.	H	α-helix	trans	-65.6	-32.9	174.7	52.2	0	0	0	0	113	Q632 K633 V634 L640	Q632-T636 WeakPolarHBondContact O-CG2 3.39Å; Q632-T636 PolarHBondContact O-N 2.85Å; Q632-T636 PolarHBondContact O-OG1 3.22Å; K633-T636 WeakPolarHBondContact CA-OG1 3.46Å; K633-T636 PolarHBondContact O-OG1 3.06Å; V634-T636 VanDerWaalsContact C-N 3.31Å; V634-T636 PolarHBondContact O-N 3.45Å; T636-L640 WeakPolarHBondContact O-CD1 3.43Å; T636-L640 VanDerWaalsContact O-CG 3.3Å; T636-L640 WeakPolarHBondContact O-CG 3.47Å
637	F	94.8	Very high	90.2	Very high	5 Å²	5	74.1 Å²	74.1	2%	0.022	36%	0.355	C	S	.	.	H	α-helix	trans	-78.6	-42.1	177.5	-171.9	-80	0	0	0	111.3	V442 L450 L452 C463 L492 M495 F496 K633 V634 V635 N639 L640 W641	V442-F637 HydrophobicContact CB-CD1 4.36Å; V442-F637 HydrophobicContact CB-CE1 4.44Å; V442-F637 HydrophobicContact CG1-CD1 3.81Å; V442-F637 HydrophobicContact CG1-CE1 4.02Å; V442-F637 HydrophobicContact CG2-CD1 3.84Å; V442-F637 HydrophobicContact CG2-CE1 4.19Å; L450-F637 HydrophobicContact CD2-CE1 3.98Å; L450-F637 HydrophobicContact CD2-CZ 4.37Å; L452-F637 HydrophobicContact CD1-CB 4.1Å; L452-F637 HydrophobicContact CD1-CD1 4.47Å; L452-F637 HydrophobicContact CD1-CG 4.3Å; L452-F637 HydrophobicContact CD2-CB 4.39Å; L452-F637 HydrophobicContact CD2-CD2 4.09Å; L452-F637 HydrophobicContact CD2-CG 4.14Å; C463-F637 HydrophobicContact CB-CE2 4.11Å; C463-F637 HydrophobicContact CB-CZ 3.99Å; L492-F637 HydrophobicContact CD2-CZ 4.02Å; M495-F637 HydrophobicContact CE-CE2 3.87Å; M495-F637 HydrophobicContact CE-CZ 3.83Å; F496-F637 HydrophobicContact CE1-CE2 4.39Å; F496-F637 HydrophobicContact CZ-CE2 4.39Å; K633-F637 WeakPolarHBondContact O-CB 3.35Å; K633-F637 PolarHBondContact O-N 3.04Å; V634-F637 PolarHBondContact O-N 2.94Å; V635-F637 VanDerWaalsContact C-N 3.31Å; V635-F637 PolarHBondContact O-N 3.43Å; F637-N639 PolarHBondContact O-N 2.67Å; F637-L640 PolarHBondContact O-N 2.63Å; F637-L640 VanDerWaalsContact O-N 3.16Å; F637-W641 HydrophobicContact CD1-CB 4.17Å; F637-W641 HydrophobicContact CE1-CB 4.04Å; F637-W641 HydrophobicContact CE1-CD2 4.49Å; F637-W641 HydrophobicContact CE1-CG 4.25Å; F637-W641 VanDerWaalsContact O-CB 3.26Å; F637-W641 WeakPolarHBondContact O-CB 3.42Å; F637-W641 PolarHBondContact O-N 2.83Å
638	E	93.7	Very high	88.8	Confident	99 Å²	99	75.1 Å²	75.1	46%	0.463	36%	0.361	S	S	.	.	H	α-helix	trans	-57.2	-46.8	175.9	-174.9	178.8	-172.2	0	0	111.6	V634 L640 W641 H642	V634-E638 WeakPolarHBondContact O-CB 3.39Å; V634-E638 PolarHBondContact O-N 2.87Å; E638-L640 VanDerWaalsContact C-N 3.28Å; E638-L640 PolarHBondContact O-N 2.86Å; E638-W641 PolarHBondContact O-N 3.48Å; E638-H642 PolarHBondContact O-N 2.99Å
639	N	92.9	Very high	87.2	Confident	114 Å²	114	74.7 Å²	74.7	61%	0.61	36%	0.359	S	S	*	.	H	α-helix	trans	-61	-32.1	176.1	-73.2	-19.4	0	0	0	113.6	V635 F637	V635-N639 WeakPolarHBondContact O-CB 3.2Å; V635-N639 PolarHBondContact O-N 3.28Å; V635-N639 PolarHBondContact O-ND2 2.94Å; F637-N639 PolarHBondContact O-N 2.67Å
640	L	91.6	Very high	85.5	Confident	42 Å²	42	72.6 Å²	72.6	22%	0.22	35%	0.351	C	S	.	.	H	α-helix	trans	-79	-43.6	174.5	-65.7	169.9	0	0	0	110.9	M495 Q499 Y500 T636 F637 E638 H642 Y644	M495-L640 HydrophobicContact SD-CB 4.05Å; Q499-L640 HydrophobicContact CB-CD2 4.36Å; Q499-L640 HydrophobicContact CG-CD2 4Å; Y500-L640 HydrophobicContact CE2-CD1 4.25Å; T636-L640 WeakPolarHBondContact O-CD1 3.43Å; T636-L640 VanDerWaalsContact O-CG 3.3Å; T636-L640 WeakPolarHBondContact O-CG 3.47Å; F637-L640 PolarHBondContact O-N 2.63Å; F637-L640 VanDerWaalsContact O-N 3.16Å; E638-L640 VanDerWaalsContact C-N 3.28Å; E638-L640 PolarHBondContact O-N 2.86Å; L640-H642 PolarHBondContact O-N 2.77Å; L640-Y644 WeakPolarHBondContact O-CD2 3.19Å; L640-Y644 WeakPolarHBondContact O-CE2 3.29Å
641	W	93.3	Very high	83.6	Confident	6 Å²	6	76.4 Å²	76.4	2%	0.023	37%	0.368	C	S	.	.	H	α-helix	trans	-68.1	-33.5	-173.8	-179	-107	0	0	0	113.4	V442 L450 F488 Q491 L492 M495 F637 E638 T643 Y644 D645	V442-W641 HydrophobicContact CG1-CB 4.23Å; V442-W641 HydrophobicContact CG1-CG 4.05Å; L450-W641 HydrophobicContact CD2-CD2 3.8Å; L450-W641 HydrophobicContact CD2-CE3 4.16Å; L450-W641 HydrophobicContact CD2-CG 4.37Å; L450-W641 HydrophobicContact CD2-CH2 4.13Å; L450-W641 HydrophobicContact CD2-CZ2 3.79Å; L450-W641 HydrophobicContact CD2-CZ3 4.31Å; F488-W641 AromaticContact CD1-CH2 3.97Å; F488-W641 HydrophobicContact CD1-CH2 3.97Å; F488-W641 AromaticContact CD1-CZ2 3.74Å; F488-W641 HydrophobicContact CD1-CZ2 3.74Å; F488-W641 AromaticContact CE1-CZ2 3.89Å; F488-W641 HydrophobicContact CE1-CZ2 3.89Å; Q491-W641 HydrophobicContact CB-CH2 3.51Å; Q491-W641 HydrophobicContact CB-CZ3 3.86Å; Q491-W641 HydrophobicContact CG-CH2 4.37Å; L492-W641 HydrophobicContact CD2-CE3 3.93Å; L492-W641 HydrophobicContact CD2-CH2 4.27Å; L492-W641 HydrophobicContact CD2-CZ3 3.51Å; L492-W641 HydrophobicContact CG-CH2 4.16Å; L492-W641 HydrophobicContact CG-CZ3 3.74Å; M495-W641 HydrophobicContact CE-CE3 4.19Å; M495-W641 HydrophobicContact SD-CB 4.35Å; M495-W641 HydrophobicContact SD-CE3 3.83Å; F637-W641 HydrophobicContact CD1-CB 4.17Å; F637-W641 HydrophobicContact CE1-CB 4.04Å; F637-W641 HydrophobicContact CE1-CD2 4.49Å; F637-W641 HydrophobicContact CE1-CG 4.25Å; F637-W641 VanDerWaalsContact O-CB 3.26Å; F637-W641 WeakPolarHBondContact O-CB 3.42Å; F637-W641 PolarHBondContact O-N 2.83Å; E638-W641 PolarHBondContact O-N 3.48Å; W641-T643 PolarHBondContact O-N 3.46Å; W641-Y644 PolarHBondContact O-N 2.97Å; W641-D645 HydrophobicContact CZ2-CB 4.28Å; W641-D645 PolarHBondContact NE1-OD2 2.86Å; W641-D645 PolarHBondContact O-N 3.24Å
642	H	88.5	Confident	81.3	Confident	156 Å²	156	74.2 Å²	74.2	72%	0.722	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.3	-179.2	-169.6	-41.3	0	0	0	113.5	E638 L640	E638-H642 PolarHBondContact O-N 2.99Å; L640-H642 PolarHBondContact O-N 2.77Å
643	T	89.1	Confident	79.2	Confident	98 Å²	98	73.3 Å²	73.3	60%	0.601	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-23.7	176.2	-53.4	0	0	0	0	113.3	W641	W641-T643 PolarHBondContact O-N 3.46Å
644	Y	88.7	Confident	77	Confident	21 Å²	21	75.2 Å²	75.2	8%	0.082	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-16.1	-173.7	-53.8	-85.9	0	0	0	113.6	Q491 V494 M495 E498 Q499 L640 W641 K646	Q491-Y644 PolarHBondContact NE2-O 3.34Å; V494-Y644 HydrophobicContact CG1-CD1 4.16Å; V494-Y644 HydrophobicContact CG1-CE1 4.05Å; M495-Y644 HydrophobicContact CB-CD1 4.19Å; M495-Y644 HydrophobicContact CB-CD2 3.67Å; M495-Y644 HydrophobicContact CB-CE1 4.38Å; M495-Y644 HydrophobicContact CB-CE2 3.89Å; M495-Y644 HydrophobicContact CB-CG 3.84Å; M495-Y644 HydrophobicContact CG-CD2 3.57Å; M495-Y644 HydrophobicContact CG-CE2 3.59Å; M495-Y644 HydrophobicContact CG-CG 4.27Å; M495-Y644 HydrophobicContact SD-CD2 4.06Å; M495-Y644 HydrophobicContact SD-CE2 4.48Å; E498-Y644 VanDerWaalsContact OE2-CE1 3.27Å; E498-Y644 WeakPolarHBondContact OE2-CE1 3.47Å; E498-Y644 VanDerWaalsContact OE2-CZ 3.32Å; E498-Y644 PolarHBondContact OE2-OH 3.02Å; Q499-Y644 HydrophobicContact CG-CE2 4.29Å; Q499-Y644 PolarHBondContact NE2-OH 3.41Å; L640-Y644 WeakPolarHBondContact O-CD2 3.19Å; L640-Y644 WeakPolarHBondContact O-CE2 3.29Å; W641-Y644 PolarHBondContact O-N 2.97Å; Y644-K646 PolarHBondContact O-N 2.72Å
645	D	84.1	Confident	74.4	Confident	25 Å²	25	80.1 Å²	80.1	13%	0.134	40%	0.404	C	S	.	.			trans	-70.5	89.3	176.4	-158.9	-30.8	0	0	0	112.2	S443 W641 W647	S443-D645 WeakPolarHBondContact CB-OD2 3.47Å; S443-D645 PolarHBondContact OG-OD2 2.68Å; W641-D645 HydrophobicContact CZ2-CB 4.28Å; W641-D645 PolarHBondContact NE1-OD2 2.86Å; W641-D645 PolarHBondContact O-N 3.24Å; D645-W647 WeakPolarHBondContact OD1-CB 3.37Å; D645-W647 PolarHBondContact OD1-N 2.99Å; D645-W647 VanDerWaalsContact OD1-N 3.08Å
646	K	74.2	Confident	71.7	Confident	111 Å²	111	80.5 Å²	80.5	48%	0.483	41%	0.409	S	S	.	.			trans	-97.1	2.8	174.7	-61.6	179.5	-177.7	-179.1	0	112.3	Q491 Y644 Q648 Q649 N650	Q491-K646 VanDerWaalsContact NE2-N 3.1Å; Y644-K646 PolarHBondContact O-N 2.72Å; K646-Q648 PolarHBondContact O-N 3Å; K646-Q649 PolarHBondContact O-N 2.97Å; K646-N650 PolarHBondContact O-N 2.96Å; K646-N650 PolarHBondContact O-ND2 2.7Å; K646-N650 VanDerWaalsContact O-ND2 3.08Å
647	W	69.7	Low	69.3	Low	54 Å²	54	79 Å²	79	21%	0.205	40%	0.402	C	S	.	.	H	α-helix	trans	-64.6	-45.2	-175	-176	-110.9	0	0	0	111.4	E446 E484 H487 D645 Q649 K651	E446-W647 HydrophobicContact CB-CZ2 4.42Å; E484-W647 HydrophobicContact CB-CH2 4.12Å; E484-W647 HydrophobicContact CB-CZ2 4.44Å; E484-W647 HydrophobicContact CG-CH2 4.03Å; E484-W647 HydrophobicContact CG-CZ2 3.97Å; E484-W647 HydrophobicContact CG-CZ3 4.46Å; E484-W647 WeakPolarHBondContact OE1-CZ2 3.44Å; E484-W647 PolarHBondContact OE1-NE1 3.12Å; H487-W647 HydrophobicContact CB-CE3 4.39Å; H487-W647 HydrophobicContact CB-CZ3 4.26Å; H487-W647 AromaticContact CD2-CE3 3.64Å; H487-W647 AromaticContact CG-CE3 3.99Å; D645-W647 WeakPolarHBondContact OD1-CB 3.37Å; D645-W647 PolarHBondContact OD1-N 2.99Å; D645-W647 VanDerWaalsContact OD1-N 3.08Å; W647-Q649 VanDerWaalsContact C-N 3.28Å; W647-Q649 PolarHBondContact O-N 2.82Å; W647-K651 PolarHBondContact O-N 3.5Å
648	Q	63.2	Low	66.6	Low	131 Å²	131	83.1 Å²	83.1	61%	0.612	42%	0.424	S	S	*	.	H	α-helix	trans	-65.8	-30.1	176.7	-59.1	-172.2	9.8	0	0	112.9	K646	K646-Q648 PolarHBondContact O-N 3Å
649	Q	58.7	Low	63.8	Low	116 Å²	116	83 Å²	83	54%	0.542	43%	0.427	S	S	.	.	H	α-helix	trans	-74.1	-49.9	179.3	-64	176.6	-3.6	0	0	111	K646 W647 K651 L652 D653	K646-Q649 PolarHBondContact O-N 2.97Å; W647-Q649 VanDerWaalsContact C-N 3.28Å; W647-Q649 PolarHBondContact O-N 2.82Å; Q649-K651 PolarHBondContact O-N 2.59Å; Q649-L652 WeakPolarHBondContact O-CB 3.37Å; Q649-L652 PolarHBondContact O-N 3.06Å; Q649-D653 PolarHBondContact O-N 3.5Å
650	N	57.3	Low	61.1	Low	58 Å²	58	80.8 Å²	80.8	31%	0.31	42%	0.42	S	S	.	.	H	α-helix	trans	-57.7	-25.1	179.1	-64	-30.1	0	0	0	113.3	H487 K646 T654	H487-N650 PolarHBondContact CE1-ND2 2.74Å; H487-N650 PolarHBondContact NE2-ND2 3.35Å; H487-N650 VanDerWaalsContact NE2-ND2 3.17Å; K646-N650 PolarHBondContact O-N 2.96Å; K646-N650 PolarHBondContact O-ND2 2.7Å; K646-N650 VanDerWaalsContact O-ND2 3.08Å; N650-T654 PolarHBondContact O-N 3.13Å; N650-T654 PolarHBondContact O-OG1 3.15Å
651	K	52.5	Low	58.4	Low	83 Å²	83	85.3 Å²	85.3	36%	0.361	44%	0.44	S	S	.	.	H	α-helix	trans	-72.4	-29.3	176.2	-170.3	154.5	-174	157.6	0	113.3	E446 W647 Q649 T654 H655	E446-K651 IonicContact OE2-NZ 3.33Å; E446-K651 PolarHBondContact OE2-NZ 2.87Å; W647-K651 PolarHBondContact O-N 3.5Å; Q649-K651 PolarHBondContact O-N 2.59Å; K651-T654 PolarHBondContact O-OG1 3.42Å; K651-H655 PolarHBondContact O-CD2 3.08Å; K651-H655 PolarHBondContact O-N 2.7Å
652	L	45.4	Very low	55.7	Low	123 Å²	123	90.3 Å²	90.3	64%	0.644	47%	0.466	S	S	*	.	H	α-helix	trans	-71.6	-43.7	172.4	-66.1	170	0	0	0	110.5	Q649 S656	Q649-L652 WeakPolarHBondContact O-CB 3.37Å; Q649-L652 PolarHBondContact O-N 3.06Å; L652-S656 WeakPolarHBondContact O-CB 3.45Å; L652-S656 PolarHBondContact O-N 2.71Å; L652-S656 PolarHBondContact O-OG 3.16Å
653	D	48.2	Very low	53.2	Low	104 Å²	104	88.6 Å²	88.6	56%	0.556	46%	0.461	S	S	*	.	H	α-helix	trans	-65.8	-40.7	-178.8	-65.4	-29.3	0	0	0	112.5	Q649 S656 S657	Q649-D653 PolarHBondContact O-N 3.5Å; D653-S656 CarbonylContact O-C 3.39Å; D653-S656 PolarHBondContact O-N 3.16Å; D653-S657 PolarHBondContact O-N 3.36Å; D653-S657 PolarHBondContact O-OG 3.37Å
654	T	47.7	Very low	50.5	Low	76 Å²	76	89.6 Å²	89.6	47%	0.466	46%	0.463	S	S	.	.	H	α-helix	trans	-71.2	-32.5	179.7	41.5	0	0	0	0	114	N650 K651 S657 N658	N650-T654 PolarHBondContact O-N 3.13Å; N650-T654 PolarHBondContact O-OG1 3.15Å; K651-T654 PolarHBondContact O-OG1 3.42Å; T654-S657 PolarHBondContact O-OG 3.3Å; T654-S657 VanDerWaalsContact O-OG 3.12Å; T654-N658 VanDerWaalsContact O-CG 3.27Å; T654-N658 PolarHBondContact O-N 2.97Å; T654-N658 PolarHBondContact O-OD1 2.87Å
655	H	41.3	Very low	47.8	Very low	116 Å²	116	94.5 Å²	94.5	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-71.7	-33.9	168.8	-73.6	-55.5	0	0	0	111.8	K651 N659	K651-H655 PolarHBondContact O-CD2 3.08Å; K651-H655 PolarHBondContact O-N 2.7Å; H655-N659 WeakPolarHBondContact O-CB 3.28Å; H655-N659 PolarHBondContact O-N 2.83Å
656	S	37.9	Very low	45.4	Very low	67 Å²	67	101.2 Å²	101.2	47%	0.469	52%	0.521	S	S	.	.	H	α-helix	trans	-71.6	-40.7	177.5	-59.7	0	0	0	0	112.8	L652 D653 S660	L652-S656 WeakPolarHBondContact O-CB 3.45Å; L652-S656 PolarHBondContact O-N 2.71Å; L652-S656 PolarHBondContact O-OG 3.16Å; D653-S656 CarbonylContact O-C 3.39Å; D653-S656 PolarHBondContact O-N 3.16Å; S656-S660 VanDerWaalsContact O-CB 3.24Å; S656-S660 WeakPolarHBondContact O-CB 3.34Å; S656-S660 PolarHBondContact O-N 2.71Å; S656-S660 PolarHBondContact O-OG 2.94Å
657	S	42.6	Very low	43.6	Very low	54 Å²	54	105.6 Å²	105.6	38%	0.378	54%	0.54	S	S	.	.	H	α-helix	trans	-63.1	-45.4	178.3	60.3	0	0	0	0	111.7	D653 T654 S660 Q661	D653-S657 PolarHBondContact O-N 3.36Å; D653-S657 PolarHBondContact O-OG 3.37Å; T654-S657 PolarHBondContact O-OG 3.3Å; T654-S657 VanDerWaalsContact O-OG 3.12Å; S657-S660 PolarHBondContact O-N 3.48Å; S657-Q661 PolarHBondContact O-N 3.1Å; S657-Q661 VanDerWaalsContact O-N 3.1Å
658	N	37.9	Very low	41.8	Very low	92 Å²	92	107.4 Å²	107.4	49%	0.492	56%	0.561	S	S	.	*	H	α-helix	trans	-70.6	-41	-175.9	-65.3	7.9	0	0	0	111.1	T654 S660 Q661 I662	T654-N658 VanDerWaalsContact O-CG 3.27Å; T654-N658 PolarHBondContact O-N 2.97Å; T654-N658 PolarHBondContact O-OD1 2.87Å; N658-S660 VanDerWaalsContact C-N 3.31Å; N658-S660 PolarHBondContact O-N 3.46Å; N658-Q661 PolarHBondContact O-N 2.83Å; N658-I662 WeakPolarHBondContact O-CD1 3.21Å; N658-I662 VanDerWaalsContact O-CG1 3.29Å; N658-I662 WeakPolarHBondContact O-CG1 3.4Å; N658-I662 PolarHBondContact O-N 3.15Å; N658-I662 VanDerWaalsContact O-N 3.16Å
659	N	35.5	Very low	40.3	Very low	96 Å²	96	106.8 Å²	106.8	51%	0.513	57%	0.571	S	S	.	*	H	α-helix	trans	-64.8	-34.7	171.5	-75.7	-13.2	0	0	0	112.3	H655 Q661 I662 I663	H655-N659 WeakPolarHBondContact O-CB 3.28Å; H655-N659 PolarHBondContact O-N 2.83Å; N659-Q661 VanDerWaalsContact C-N 3.33Å; N659-Q661 PolarHBondContact O-N 3.32Å; N659-I662 PolarHBondContact O-N 2.78Å; N659-I663 WeakPolarHBondContact O-CB 3.49Å; N659-I663 WeakPolarHBondContact O-CD1 3.3Å; N659-I663 VanDerWaalsContact O-CG1 3.25Å; N659-I663 WeakPolarHBondContact O-CG1 3.32Å; N659-I663 PolarHBondContact O-N 3.31Å; N659-I663 VanDerWaalsContact O-N 3.09Å
660	S	35.4	Very low	38.9	Very low	68 Å²	68	105.9 Å²	105.9	48%	0.476	58%	0.584	S	S	.	*	H	α-helix	trans	-69.1	-28.1	179.3	-62.4	0	0	0	0	113.5	S656 S657 N658 N664	S656-S660 VanDerWaalsContact O-CB 3.24Å; S656-S660 WeakPolarHBondContact O-CB 3.34Å; S656-S660 PolarHBondContact O-N 2.71Å; S656-S660 PolarHBondContact O-OG 2.94Å; S657-S660 PolarHBondContact O-N 3.48Å; N658-S660 VanDerWaalsContact C-N 3.31Å; N658-S660 PolarHBondContact O-N 3.46Å; S660-N664 PolarHBondContact O-ND2 3.04Å
661	Q	36	Very low	37.8	Very low	136 Å²	136	110.6 Å²	110.6	64%	0.636	61%	0.609	S	S	*	*	H	α-helix	trans	-78.5	-45.8	172.4	-68.4	-175.1	-58.4	0	0	111	S657 N658 N659 I663 N664	S657-Q661 PolarHBondContact O-N 3.1Å; S657-Q661 VanDerWaalsContact O-N 3.1Å; N658-Q661 PolarHBondContact O-N 2.83Å; N659-Q661 VanDerWaalsContact C-N 3.33Å; N659-Q661 PolarHBondContact O-N 3.32Å; Q661-I663 VanDerWaalsContact C-N 3.26Å; Q661-I663 PolarHBondContact O-N 2.78Å; Q661-N664 PolarHBondContact O-N 2.97Å
662	I	35.2	Very low	36.8	Very low	111 Å²	111	114.7 Å²	114.7	57%	0.569	63%	0.634	S	S	*	*	H	α-helix	trans	-58.6	-34.7	-180	-67.4	166.1	0	0	0	112.5	N658 N659	N658-I662 WeakPolarHBondContact O-CD1 3.21Å; N658-I662 VanDerWaalsContact O-CG1 3.29Å; N658-I662 WeakPolarHBondContact O-CG1 3.4Å; N658-I662 PolarHBondContact O-N 3.15Å; N658-I662 VanDerWaalsContact O-N 3.16Å; N659-I662 PolarHBondContact O-N 2.78Å
663	I	36	Very low	36.2	Very low	121 Å²	121	113.8 Å²	113.8	62%	0.621	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-15	-176.5	-69.6	168.8	0	0	0	113.8	N659 Q661	N659-I663 WeakPolarHBondContact O-CB 3.49Å; N659-I663 WeakPolarHBondContact O-CD1 3.3Å; N659-I663 VanDerWaalsContact O-CG1 3.25Å; N659-I663 WeakPolarHBondContact O-CG1 3.32Å; N659-I663 PolarHBondContact O-N 3.31Å; N659-I663 VanDerWaalsContact O-N 3.09Å; Q661-I663 VanDerWaalsContact C-N 3.26Å; Q661-I663 PolarHBondContact O-N 2.78Å
664	N	32.6	Very low	35.5	Very low	119 Å²	119	117.9 Å²	117.9	64%	0.636	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-22.6	-174.6	-78	-67.4	0	0	0	114.9	S660 Q661	S660-N664 PolarHBondContact O-ND2 3.04Å; Q661-N664 PolarHBondContact O-N 2.97Å
665	D	32.9	Very low	34.7	Very low	124 Å²	124	123.8 Å²	123.8	66%	0.663	67%	0.674	S	S	*	*	S	Bend	trans	-84.7	-13.4	-178.1	-70	-31.5	0	0	0	114.1	K667	D665-K667 PolarHBondContact O-N 2.96Å
666	E	33.3	Very low	34.6	Very low	166 Å²	166	126.7 Å²	126.7	78%	0.776	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	9	-178	-66.2	-165.6	137.4	0	0	115.8
667	K	36.8	Very low	34.4	Very low	202 Å²	202	129.3 Å²	129.3	88%	0.878	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123	0.8	-176.3	-78.3	-179.1	178.2	169.6	0	116.3	D665	D665-K667 PolarHBondContact O-N 2.96Å
668	S	31.6	Very low	34	Very low	93 Å²	93	136.8 Å²	136.8	65%	0.65	73%	0.732	S	S	*	*	S	Bend	trans	-150.6	53.8	-173.9	56.7	0	0	0	0	116.7
669	S	31.5	Very low	34.2	Very low	118 Å²	118	135.1 Å²	135.1	83%	0.825	74%	0.737	S	S	*	*			trans	-168.5	111	141.4	-86.9	0	0	0	0	112.2
670	A	29.7	Very low	34.3	Very low	97 Å²	97	137 Å²	137	80%	0.802	75%	0.754	S	S	*	*			trans	-92	102.3	160.9	0	0	0	0	0	109.2
671	N	34.6	Very low	34.5	Very low	156 Å²	156	138.4 Å²	138.4	83%	0.834	77%	0.77	S	S	*	*			trans	-160.5	143.6	162.5	-96.5	-40.7	0	0	0	109.5
672	N	29.8	Very low	34.5	Very low	169 Å²	169	139.7 Å²	139.7	90%	0.904	78%	0.78	S	S	*	*			trans	-90.9	131.7	-166.6	-57.4	-24.1	0	0	0	112.7
673	S	34.8	Very low	35	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	79%	0.786	S	S	*	*			trans	-156.6	112.7	151.3	58.9	0	0	0	0	109.7
674	E	32.4	Very low	35.8	Very low	190 Å²	190	139.3 Å²	139.3	89%	0.888	79%	0.793	S	S	*	*			trans	-74	145.5	176.1	-66.7	162.3	128.1	0	0	110.7
675	F	31.1	Very low	36.2	Very low	201 Å²	201	145.4 Å²	145.4	88%	0.882	81%	0.807	S	S	*	*			trans	-131	102.7	168.9	-108.1	-87.6	0	0	0	108.3
676	E	39.3	Very low	37.1	Very low	177 Å²	177	153.7 Å²	153.7	83%	0.827	83%	0.831	S	S	*	*			trans	-77.3	148.4	173	-69.1	-160.4	130.7	0	0	111.4	E678	E676-E678 PolarHBondContact O-N 2.82Å
677	P	33.7	Very low	37.3	Very low	122 Å²	122	153.1 Å²	153.1	79%	0.792	83%	0.834	S	S	*	*			trans	-78.6	117.9	170.7	31.2	-31.8	0	0	0	110.7	G679	P677-G679 PolarHBondContact O-N 2.93Å
678	E	33.4	Very low	37.3	Very low	211 Å²	211	150.5 Å²	150.5	99%	0.986	83%	0.831	S	S	*	*			trans	-61.2	104.4	175	-74.3	-166.6	122.8	0	0	111.8	E676	E676-E678 PolarHBondContact O-N 2.82Å
679	G	42	Very low	37.6	Very low	57 Å²	57	153.7 Å²	153.7	59%	0.588	84%	0.841	S	S	*	*			trans	-155.7	135.6	172.6	0	0	0	0	0	110.9	P677 A681	P677-G679 PolarHBondContact O-N 2.93Å; G679-A681 PolarHBondContact O-N 2.67Å; G679-A681 VanDerWaalsContact O-N 3.15Å
680	P	37.9	Very low	38	Very low	134 Å²	134	155.8 Å²	155.8	87%	0.87	84%	0.842	S	S	*	*			trans	-68.7	114.9	-175.3	26.8	-33.9	0	0	0	111.3
681	A	39.2	Very low	38.5	Very low	98 Å²	98	159.4 Å²	159.4	81%	0.81	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-62.5	137.9	178	0	0	0	0	0	112	G679	G679-A681 PolarHBondContact O-N 2.67Å; G679-A681 VanDerWaalsContact O-N 3.15Å
682	L	36.1	Very low	38.7	Very low	163 Å²	163	159.7 Å²	159.7	85%	0.853	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-74.7	139.5	174.2	-69.7	170.9	0	0	0	110.4
683	P	46.6	Very low	39.4	Very low	108 Å²	108	159 Å²	159	70%	0.701	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-66.2	146.2	177.8	28	-34.7	0	0	0	111.4
684	P	51.6	Low	39.7	Very low	116 Å²	116	163.2 Å²	163.2	75%	0.753	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-64.8	147.9	177.9	28.3	-35	0	0	0	111.2
685	R	41.1	Very low	40.3	Very low	247 Å²	247	161 Å²	161	93%	0.932	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-79.3	128	171.6	-67.3	-175.7	179.5	-175.5	0.1	110.1
686	Y	52	Low	41.2	Very low	298 Å²	298	157.4 Å²	157.4	100%	1.169	84%	0.844	S	S	*	*			trans	-76.6	0	149.9	-78.6	-87.3	0	0	0	110.1

Retrieved 686 of 686 residues in 154.3 ms (Link to these results)

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