A0A077Z057_TRITR Loading...

Protein C ets 2

AlphaFold DB , UniProt , Accession A0A077Z057, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 592 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	39	Very low	219 Å²	219	106.8 Å²	106.8	100%	1.079	60%	0.604	S	S	*	*				0	-40.5	0	-69.2	-168.8	-176.5	0	0	114.2	A3 V4	M1-A3 PolarHBondContact O-N 3.49Å; M1-V4 PolarHBondContact O-N 3.48Å
2	A	28.4	Very low	39.8	Very low	82 Å²	82	104.9 Å²	104.9	68%	0.678	60%	0.596	S	S	*	*	H	α-helix	trans	-53.4	-46.2	-175.5	0	0	0	0	0	115	V4 R5	A2-V4 PolarHBondContact O-N 3.15Å; A2-V4 VanDerWaalsContact O-N 3.1Å; A2-R5 PolarHBondContact O-N 3.39Å
3	A	31.7	Very low	40.2	Very low	79 Å²	79	104.8 Å²	104.8	65%	0.653	59%	0.592	S	S	*	*	H	α-helix	trans	-52.8	-34.5	-177.6	0	0	0	0	0	114.7	M1 R5 V6	M1-A3 PolarHBondContact O-N 3.49Å; A3-R5 VanDerWaalsContact C-N 3.27Å; A3-R5 PolarHBondContact O-N 3.43Å; A3-V6 PolarHBondContact O-N 3.34Å
4	V	37.4	Very low	41	Very low	115 Å²	115	101.6 Å²	101.6	70%	0.697	57%	0.572	S	S	*	*	H	α-helix	trans	-66.4	-27.7	-178.1	-175.8	0	0	0	0	112.1	M1 A2	M1-V4 PolarHBondContact O-N 3.48Å; A2-V4 PolarHBondContact O-N 3.15Å; A2-V4 VanDerWaalsContact O-N 3.1Å
5	R	34.3	Very low	41.4	Very low	218 Å²	218	96.6 Å²	96.6	82%	0.823	55%	0.552	S	S	*	*	H	α-helix	trans	-77.3	-30.1	177.5	-72	-173.8	176.3	174.7	-0.4	113.2	A2 A3 A9	A2-R5 PolarHBondContact O-N 3.39Å; A3-R5 VanDerWaalsContact C-N 3.27Å; A3-R5 PolarHBondContact O-N 3.43Å; R5-A9 PolarHBondContact O-N 3.48Å
6	V	38.4	Very low	41.5	Very low	82 Å²	82	94.1 Å²	94.1	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-67	-48.4	-179	-176	0	0	0	0	110.5	A3 S8 A9 Q10	A3-V6 PolarHBondContact O-N 3.34Å; V6-S8 PolarHBondContact O-N 2.59Å; V6-A9 WeakPolarHBondContact O-CB 3.38Å; V6-A9 PolarHBondContact O-N 3Å; V6-A9 VanDerWaalsContact O-N 3.09Å; V6-Q10 PolarHBondContact O-N 2.79Å
7	N	46.4	Very low	41.5	Very low	68 Å²	68	93.3 Å²	93.3	36%	0.364	53%	0.534	S	S	.	.	H	α-helix	trans	-61.5	-41	-176.9	-163.1	-61.1	0	0	0	112	A9 Q10 Q11	N7-A9 VanDerWaalsContact C-N 3.33Å; N7-A9 PolarHBondContact O-N 2.87Å; N7-Q10 PolarHBondContact O-N 3.27Å; N7-Q11 WeakPolarHBondContact O-CG 3.33Å; N7-Q11 PolarHBondContact O-N 3.3Å; N7-Q11 PolarHBondContact OD1-NE2 3.03Å
8	S	41.1	Very low	41.7	Very low	72 Å²	72	94.8 Å²	94.8	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-62.9	-34.8	175.4	-177	0	0	0	0	113.5	V6 T12	V6-S8 PolarHBondContact O-N 2.59Å; S8-T12 WeakPolarHBondContact O-CB 3.44Å; S8-T12 PolarHBondContact O-N 3.33Å; S8-T12 VanDerWaalsContact O-N 3.15Å; S8-T12 PolarHBondContact O-OG1 2.77Å
9	A	40.3	Very low	41.8	Very low	63 Å²	63	98 Å²	98	52%	0.521	54%	0.538	S	S	.	.	H	α-helix	trans	-71	-42.2	174.8	0	0	0	0	0	111.8	R5 V6 N7 T12 L13	R5-A9 PolarHBondContact O-N 3.48Å; V6-A9 WeakPolarHBondContact O-CB 3.38Å; V6-A9 PolarHBondContact O-N 3Å; V6-A9 VanDerWaalsContact O-N 3.09Å; N7-A9 VanDerWaalsContact C-N 3.33Å; N7-A9 PolarHBondContact O-N 2.87Å; A9-T12 WeakPolarHBondContact O-CB 3.33Å; A9-T12 PolarHBondContact O-N 3.03Å; A9-L13 PolarHBondContact O-N 2.79Å
10	Q	48.6	Very low	41.6	Very low	52 Å²	52	100.1 Å²	100.1	24%	0.243	55%	0.548	C	S	.	.	H	α-helix	trans	-64.1	-45.8	176.1	-73.4	170.1	-50.9	0	0	112.2	V6 N7 T12 L13 I14	V6-Q10 PolarHBondContact O-N 2.79Å; N7-Q10 PolarHBondContact O-N 3.27Å; Q10-T12 PolarHBondContact O-N 2.98Å; Q10-L13 WeakPolarHBondContact O-CB 3.37Å; Q10-L13 PolarHBondContact O-N 2.71Å; Q10-I14 WeakPolarHBondContact O-CG1 3.35Å; Q10-I14 PolarHBondContact O-N 3.15Å
11	Q	48.7	Very low	41.8	Very low	125 Å²	125	100.3 Å²	100.3	58%	0.584	55%	0.548	S	S	*	.	H	α-helix	trans	-57.2	-38.6	172.8	-71.7	-177.9	26.3	0	0	112.1	N7 L13 G15	N7-Q11 WeakPolarHBondContact O-CG 3.33Å; N7-Q11 PolarHBondContact O-N 3.3Å; N7-Q11 PolarHBondContact OD1-NE2 3.03Å; Q11-L13 VanDerWaalsContact C-N 3.34Å; Q11-G15 PolarHBondContact O-N 2.91Å
12	T	47.9	Very low	42.2	Very low	84 Å²	84	95.4 Å²	95.4	52%	0.515	53%	0.526	S	S	.	.	H	α-helix	trans	-65.1	-38.5	175.6	-59.1	0	0	0	0	111.5	S8 A9 Q10 S16	S8-T12 WeakPolarHBondContact O-CB 3.44Å; S8-T12 PolarHBondContact O-N 3.33Å; S8-T12 VanDerWaalsContact O-N 3.15Å; S8-T12 PolarHBondContact O-OG1 2.77Å; A9-T12 WeakPolarHBondContact O-CB 3.33Å; A9-T12 PolarHBondContact O-N 3.03Å; Q10-T12 PolarHBondContact O-N 2.98Å; T12-S16 VanDerWaalsContact O-CB 3.28Å; T12-S16 WeakPolarHBondContact O-CB 3.2Å; T12-S16 PolarHBondContact O-N 2.93Å
13	L	45.5	Very low	42.5	Very low	104 Å²	104	94.7 Å²	94.7	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-65.9	-53.7	178	-153.5	81.4	0	0	0	111.5	A9 Q10 Q11 G15 S16 M17	A9-L13 PolarHBondContact O-N 2.79Å; Q10-L13 WeakPolarHBondContact O-CB 3.37Å; Q10-L13 PolarHBondContact O-N 2.71Å; Q11-L13 VanDerWaalsContact C-N 3.34Å; L13-G15 PolarHBondContact O-N 3.37Å; L13-S16 PolarHBondContact O-N 3.06Å; L13-M17 HydrophobicContact CD2-CE 4.21Å; L13-M17 HydrophobicContact CG-CE 4.31Å; L13-M17 PolarHBondContact O-N 2.86Å
14	I	50.8	Low	42.8	Very low	59 Å²	59	95.3 Å²	95.3	30%	0.303	53%	0.532	S	S	.	.	H	α-helix	trans	-58	-49.8	178.3	-63.7	167.3	0	0	0	110	Q10 S16 M17 H18	Q10-I14 WeakPolarHBondContact O-CG1 3.35Å; Q10-I14 PolarHBondContact O-N 3.15Å; I14-S16 PolarHBondContact O-N 2.76Å; I14-M17 PolarHBondContact O-N 3.19Å; I14-H18 PolarHBondContact O-N 3.3Å; I14-H18 VanDerWaalsContact O-N 3.07Å
15	G	47.1	Very low	42.7	Very low	27 Å²	27	94.5 Å²	94.5	28%	0.278	53%	0.531	S	S	.	.	H	α-helix	trans	-65	-18.7	177.2	0	0	0	0	0	114.7	Q11 L13 R19	Q11-G15 PolarHBondContact O-N 2.91Å; L13-G15 PolarHBondContact O-N 3.37Å; G15-R19 VanDerWaalsContact O-CZ 3.26Å; G15-R19 PolarHBondContact O-NH1 3.35Å
16	S	42.6	Very low	42.6	Very low	56 Å²	56	89.8 Å²	89.8	39%	0.392	53%	0.532	S	S	.	.	H	α-helix	trans	-91.6	-29.1	174.2	-142.5	0	0	0	0	113.5	T12 L13 I14 R19 N20	T12-S16 VanDerWaalsContact O-CB 3.28Å; T12-S16 WeakPolarHBondContact O-CB 3.2Å; T12-S16 PolarHBondContact O-N 2.93Å; L13-S16 PolarHBondContact O-N 3.06Å; I14-S16 PolarHBondContact O-N 2.76Å; S16-R19 VanDerWaalsContact CA-NH2 3.35Å; S16-R19 PolarHBondContact O-N 3.08Å; S16-R19 PolarHBondContact OG-NH2 2.9Å; S16-N20 PolarHBondContact O-N 2.84Å
17	M	42.1	Very low	42.3	Very low	81 Å²	81	90.8 Å²	90.8	40%	0.399	54%	0.542	S	S	.	.	H	α-helix	trans	-63.7	-43.5	167.3	-67.9	-176.4	179.7	0	0	110.4	L13 I14 R19 N20 I21 T83	L13-M17 HydrophobicContact CD2-CE 4.21Å; L13-M17 HydrophobicContact CG-CE 4.31Å; L13-M17 PolarHBondContact O-N 2.86Å; I14-M17 PolarHBondContact O-N 3.19Å; M17-R19 VanDerWaalsContact C-N 3.25Å; M17-R19 PolarHBondContact O-N 2.76Å; M17-N20 PolarHBondContact O-N 3.41Å; M17-I21 PolarHBondContact O-N 3.37Å; M17-I21 VanDerWaalsContact O-N 3.14Å; M17-T83 HydrophobicContact CE-CG2 4.34Å
18	H	45.5	Very low	41.6	Very low	120 Å²	120	97.6 Å²	97.6	56%	0.556	57%	0.569	S	S	*	*	H	α-helix	trans	-56.9	-34.3	171.7	-100.5	-114.5	0	0	0	113.7	I14 N22	I14-H18 PolarHBondContact O-N 3.3Å; I14-H18 VanDerWaalsContact O-N 3.07Å; H18-N22 PolarHBondContact O-N 3.09Å; H18-N22 PolarHBondContact O-ND2 2.92Å
19	R	42.5	Very low	41.3	Very low	156 Å²	156	100.6 Å²	100.6	59%	0.589	58%	0.584	S	S	*	*	H	α-helix	trans	-71.1	-29.4	175.2	-77.5	-175.3	-65.1	-93.8	1.4	113.6	G15 S16 M17	G15-R19 VanDerWaalsContact O-CZ 3.26Å; G15-R19 PolarHBondContact O-NH1 3.35Å; S16-R19 VanDerWaalsContact CA-NH2 3.35Å; S16-R19 PolarHBondContact O-N 3.08Å; S16-R19 PolarHBondContact OG-NH2 2.9Å; M17-R19 VanDerWaalsContact C-N 3.25Å; M17-R19 PolarHBondContact O-N 2.76Å
20	N	39.1	Very low	41	Very low	140 Å²	140	101.7 Å²	101.7	75%	0.749	59%	0.588	S	S	*	*	H	α-helix	trans	-77	-35.3	178.5	-128.3	16.9	0	0	0	111.7	S16 M17 G23	S16-N20 PolarHBondContact O-N 2.84Å; M17-N20 PolarHBondContact O-N 3.41Å; N20-G23 PolarHBondContact O-N 2.89Å
21	I	44.7	Very low	39.9	Very low	104 Å²	104	105.7 Å²	105.7	53%	0.533	62%	0.62	S	S	.	*	H	α-helix	trans	-69.3	-40.2	178.2	-64.8	165.5	0	0	0	111.3	M17 G23	M17-I21 PolarHBondContact O-N 3.37Å; M17-I21 VanDerWaalsContact O-N 3.14Å; I21-G23 PolarHBondContact O-N 3.07Å; I21-G23 VanDerWaalsContact O-N 3.17Å
22	N	42.8	Very low	39.2	Very low	116 Å²	116	103.4 Å²	103.4	62%	0.62	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	7.7	177.4	-72.4	-82.1	0	0	0	114.2	H18	H18-N22 PolarHBondContact O-N 3.09Å; H18-N22 PolarHBondContact O-ND2 2.92Å
23	G	35.7	Very low	38.3	Very low	68 Å²	68	106.2 Å²	106.2	70%	0.701	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-4.9	178.7	0	0	0	0	0	115.4	N20 I21	N20-G23 PolarHBondContact O-N 2.89Å; I21-G23 PolarHBondContact O-N 3.07Å; I21-G23 VanDerWaalsContact O-N 3.17Å
24	A	37.1	Very low	37.6	Very low	91 Å²	91	110.8 Å²	110.8	75%	0.752	65%	0.65	S	S	*	*	S	Bend	trans	-113.8	-2.7	-165.3	0	0	0	0	0	115.7
25	S	36.3	Very low	36.7	Very low	98 Å²	98	118.9 Å²	118.9	69%	0.685	68%	0.679	S	S	*	*			trans	-111.5	54.5	-167.5	48.4	0	0	0	0	113.6
26	S	31.9	Very low	36	Very low	120 Å²	120	126.8 Å²	126.8	84%	0.839	71%	0.708	S	S	*	*			trans	-96.3	26.4	-179.5	68.8	0	0	0	0	115
27	S	31.8	Very low	35.5	Very low	102 Å²	102	133.8 Å²	133.8	71%	0.713	73%	0.734	S	S	*	*			trans	-167	85.1	172.7	58.3	0	0	0	0	112.8
28	F	32.2	Very low	35.2	Very low	212 Å²	212	134.3 Å²	134.3	93%	0.93	75%	0.751	S	S	*	*			trans	-145.4	136	156	-122.4	-84.8	0	0	0	110.6
29	V	34.5	Very low	34.8	Very low	134 Å²	134	136.4 Å²	136.4	81%	0.812	77%	0.766	S	S	*	*			trans	-84.5	140.3	-177.2	176.9	0	0	0	0	109.3	C31	V29-C31 PolarHBondContact O-N 3.19Å
30	S	33.2	Very low	34.6	Very low	86 Å²	86	137 Å²	137	60%	0.601	78%	0.781	S	S	*	*			trans	-60.9	130.6	175.1	-174	0	0	0	0	110.9
31	C	25.9	Very low	34.4	Very low	136 Å²	136	135.4 Å²	135.4	92%	0.919	78%	0.778	S	S	*	*			trans	-125.2	72.2	167.7	-164.7	0	0	0	0	108	V29	V29-C31 PolarHBondContact O-N 3.19Å
32	A	33.2	Very low	34.1	Very low	78 Å²	78	139 Å²	139	65%	0.645	79%	0.792	S	S	*	*			trans	-128.2	-5.3	-177	0	0	0	0	0	113.6	F34	A32-F34 PolarHBondContact O-N 3.45Å
33	D	30.6	Very low	33.9	Very low	143 Å²	143	141.6 Å²	141.6	77%	0.765	80%	0.801	S	S	*	*			trans	-95.3	54.2	-172.4	-61.1	-65.4	0	0	0	113.2
34	F	31	Very low	33.9	Very low	200 Å²	200	143.2 Å²	143.2	88%	0.877	81%	0.807	S	S	*	*			trans	-149.4	28.7	179.1	-124.9	-77.2	0	0	0	118.6	A32	A32-F34 PolarHBondContact O-N 3.45Å
35	Y	30.4	Very low	33.7	Very low	228 Å²	228	146.5 Å²	146.5	89%	0.894	81%	0.812	S	S	*	*	S	Bend	trans	-145.4	77.8	169.7	-101.5	-77.3	0	0	0	113.4
36	H	33.1	Very low	33.8	Very low	193 Å²	193	148 Å²	148	89%	0.894	82%	0.817	S	S	*	*			trans	-178.6	81.9	151.1	-109.7	-76.7	0	0	0	112.1
37	H	32.3	Very low	34	Very low	204 Å²	204	147.9 Å²	147.9	94%	0.944	82%	0.816	S	S	*	*			trans	-169.1	77.4	155.5	-116.1	-71.3	0	0	0	113.6
38	A	35.6	Very low	34.1	Very low	92 Å²	92	147 Å²	147	76%	0.76	82%	0.824	S	S	*	*			trans	-168.8	133.1	171.6	0	0	0	0	0	108
39	L	37.9	Very low	34.2	Very low	163 Å²	163	140.5 Å²	140.5	85%	0.853	82%	0.816	S	S	*	*			cis	-139.6	151.5	-8.3	-80	161.1	0	0	0	107.6
40	N	37.7	Very low	34.4	Very low	169 Å²	169	139.7 Å²	139.7	90%	0.904	82%	0.816	S	S	*	*			trans	-150.4	96.2	165.6	-152.3	8.4	0	0	0	110.1
41	P	35.1	Very low	34.3	Very low	107 Å²	107	141 Å²	141	70%	0.695	82%	0.824	S	S	*	*			trans	-117.7	113.1	-175.3	35.2	-20.9	0	0	0	113
42	E	37.6	Very low	34.8	Very low	178 Å²	178	143 Å²	143	83%	0.832	82%	0.824	S	S	*	*			trans	-168	172.8	155.6	-105.6	-69.7	43.2	0	0	108.7
43	E	38.1	Very low	34.6	Very low	171 Å²	171	143.6 Å²	143.6	80%	0.799	83%	0.83	S	S	*	*			trans	63.8	75.7	163.9	-67.2	-88.2	86.1	0	0	117.5
44	A	35.8	Very low	34.7	Very low	102 Å²	102	142 Å²	142	84%	0.843	83%	0.83	S	S	*	*			trans	-175.7	98.7	137.4	0	0	0	0	0	112.9
45	L	33.3	Very low	34.9	Very low	160 Å²	160	143.7 Å²	143.7	84%	0.838	83%	0.83	S	S	*	*			trans	-85.3	129.9	162.4	-67.4	92.3	0	0	0	110.1
46	T	38	Very low	35.2	Very low	130 Å²	130	140.4 Å²	140.4	80%	0.798	83%	0.828	S	S	*	*				170.6	143.6	111.4	34.3	0	0	0	0	114.3
47	S	36.8	Very low	35	Very low	117 Å²	117	143 Å²	143	82%	0.818	83%	0.829	S	S	*	*			trans	46.6	116	154.8	61.6	0	0	0	0	122.4
48	G	33.3	Very low	35	Very low	85 Å²	85	144.4 Å²	144.4	88%	0.876	83%	0.827	S	S	*	*				116.4	112.9	105.3	0	0	0	0	0	119.3
49	G	35.5	Very low	34.7	Very low	74 Å²	74	145.7 Å²	145.7	76%	0.763	83%	0.827	S	S	*	*			trans	101	114	171	0	0	0	0	0	112.8
50	S	38.5	Very low	34.5	Very low	118 Å²	118	146.5 Å²	146.5	83%	0.825	83%	0.829	S	S	*	*			cis	64.6	119.5	36	-154.9	0	0	0	0	112.5
51	C	29.7	Very low	34.2	Very low	113 Å²	113	145.5 Å²	145.5	76%	0.764	82%	0.819	S	S	*	*			cis	-164.2	155.1	-5.2	-133.6	0	0	0	0	110.7
52	L	37.7	Very low	33.9	Very low	177 Å²	177	148.9 Å²	148.9	93%	0.927	83%	0.83	S	S	*	*			trans	162.3	98.5	136.4	-91	167.4	0	0	0	111.1
53	A	29.3	Very low	33.7	Very low	92 Å²	92	146.8 Å²	146.8	76%	0.76	82%	0.82	S	S	*	*			trans	-107.1	135.8	169.7	0	0	0	0	0	110.5
54	S	32.3	Very low	33.4	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	83%	0.825	S	S	*	*			trans	175.9	146.2	145.4	-89.1	0	0	0	0	113.8
55	R	36.1	Very low	33.3	Very low	234 Å²	234	148.2 Å²	148.2	88%	0.883	82%	0.819	S	S	*	*			trans	72.7	129.7	170.8	-55.7	169.8	-158.7	-93.3	-1.1	114.3
56	L	34.7	Very low	33.2	Very low	160 Å²	160	144.3 Å²	144.3	84%	0.838	82%	0.817	S	S	*	*			cis	-127.9	142.4	1.7	-85	111	0	0	0	112.6
57	R	30.5	Very low	32.9	Very low	246 Å²	246	144.6 Å²	144.6	93%	0.928	81%	0.813	S	S	*	*			trans	-78.4	139.2	155.6	-68	179.2	177.4	173.4	-2	109.3
58	R	32.6	Very low	32.6	Very low	235 Å²	235	145.4 Å²	145.4	89%	0.887	81%	0.806	S	S	*	*			trans	-133.7	126.9	143.1	-80	-166.7	176	-158.5	0.3	107.9
59	P	28.8	Very low	32.5	Very low	119 Å²	119	149.5 Å²	149.5	77%	0.773	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-79.4	132.4	168.5	32	-30.3	0	0	0	109.2
60	M	32.7	Very low	32.2	Very low	180 Å²	180	151.7 Å²	151.7	89%	0.887	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-98.9	127	148.4	-85.5	-168.5	66.3	0	0	107.4
61	Q	31.5	Very low	32.2	Very low	148 Å²	148	153.6 Å²	153.6	69%	0.692	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-72.3	129.1	176.7	-66.9	168.4	-14	0	0	108.5	H63	Q61-H63 PolarHBondContact O-N 2.91Å; Q61-H63 VanDerWaalsContact O-N 3.17Å; Q61-H63 PolarHBondContact OE1-CE1 2.69Å; Q61-H63 VanDerWaalsContact OE1-CE1 3.23Å
62	L	29.1	Very low	32.3	Very low	178 Å²	178	152.3 Å²	152.3	93%	0.932	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-60.9	117.4	157.2	-85.6	74.7	0	0	0	106.7
63	H	33.9	Very low	32.2	Very low	134 Å²	134	150.4 Å²	150.4	62%	0.62	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-100.2	125.5	159.9	-79.8	77.8	0	0	0	107.2	Q61 N65	Q61-H63 PolarHBondContact O-N 2.91Å; Q61-H63 VanDerWaalsContact O-N 3.17Å; Q61-H63 PolarHBondContact OE1-CE1 2.69Å; Q61-H63 VanDerWaalsContact OE1-CE1 3.23Å; H63-N65 PolarHBondContact O-N 3.27Å; H63-N65 VanDerWaalsContact O-N 3.11Å
64	D	32.4	Very low	32.8	Very low	171 Å²	171	151.7 Å²	151.7	91%	0.914	78%	0.783	S	S	*	*			trans	-54.7	115.3	171.8	-101.3	-53.5	0	0	0	110.4
65	N	33.7	Very low	32.8	Very low	132 Å²	132	155.2 Å²	155.2	71%	0.706	79%	0.787	S	S	*	*			trans	-148.8	110.4	166.7	-80.4	-78.2	0	0	0	106.6	H63 I67	H63-N65 PolarHBondContact O-N 3.27Å; H63-N65 VanDerWaalsContact O-N 3.11Å; N65-I67 PolarHBondContact O-N 3.48Å
66	G	29.7	Very low	32.9	Very low	78 Å²	78	148.9 Å²	148.9	80%	0.804	77%	0.77	S	S	*	*			trans	-67.2	100.9	-176.1	0	0	0	0	0	111.8	I68	G66-I68 VanDerWaalsContact C-N 3.3Å; G66-I68 PolarHBondContact O-N 2.87Å
67	I	31.3	Very low	33.1	Very low	136 Å²	136	146.3 Å²	146.3	70%	0.697	76%	0.763	S	S	*	*			trans	-75.2	88.5	171.2	-58.1	-176.3	0	0	0	108.4	N65 F69	N65-I67 PolarHBondContact O-N 3.48Å; I67-F69 HydrophobicContact CG2-CD2 3.76Å; I67-F69 HydrophobicContact CG2-CE2 3.8Å; I67-F69 PolarHBondContact O-N 3.29Å
68	I	30.5	Very low	33.8	Very low	134 Å²	134	140 Å²	140	69%	0.687	75%	0.754	S	S	*	*			trans	-60.4	115.9	158.5	-67	-179.9	0	0	0	106.7	G66 T70	G66-I68 VanDerWaalsContact C-N 3.3Å; G66-I68 PolarHBondContact O-N 2.87Å; I68-T70 HydrophobicContact CG2-CG2 3.72Å; I68-T70 PolarHBondContact O-N 3.35Å
69	F	31.8	Very low	34.1	Very low	170 Å²	170	133.4 Å²	133.4	75%	0.746	74%	0.736	S	S	*	*			trans	-77.7	52.3	-179.4	-105.2	-89.8	0	0	0	112.1	I67 H71	I67-F69 HydrophobicContact CG2-CD2 3.76Å; I67-F69 HydrophobicContact CG2-CE2 3.8Å; I67-F69 PolarHBondContact O-N 3.29Å; F69-H71 PolarHBondContact O-N 2.98Å
70	T	30	Very low	34.8	Very low	120 Å²	120	132.1 Å²	132.1	74%	0.736	73%	0.726	S	S	*	*			trans	-73	57.5	165.8	41.9	0	0	0	0	110.6	I68 A72	I68-T70 HydrophobicContact CG2-CG2 3.72Å; I68-T70 PolarHBondContact O-N 3.35Å; T70-A72 PolarHBondContact O-N 3.27Å
71	H	38.1	Very low	35.6	Very low	158 Å²	158	128.9 Å²	128.9	73%	0.731	72%	0.718	S	S	*	*			trans	-77.9	74.2	171.5	-132.2	-66.4	0	0	0	108.5	F69 L73	F69-H71 PolarHBondContact O-N 2.98Å; H71-L73 PolarHBondContact O-N 3.08Å; H71-L73 VanDerWaalsContact O-N 3.16Å
72	A	32.5	Very low	36.2	Very low	87 Å²	87	123.5 Å²	123.5	72%	0.719	70%	0.703	S	S	*	*			trans	-53.6	122	178.2	0	0	0	0	0	109.7	T70	T70-A72 PolarHBondContact O-N 3.27Å
73	L	34.7	Very low	37.7	Very low	136 Å²	136	117.1 Å²	117.1	71%	0.712	67%	0.671	S	S	*	*			trans	-55.3	147.8	166.5	-75.9	169.8	0	0	0	108.8	H71 Q75	H71-L73 PolarHBondContact O-N 3.08Å; H71-L73 VanDerWaalsContact O-N 3.16Å; L73-Q75 PolarHBondContact O-N 3.09Å
74	P	41.1	Very low	38.8	Very low	119 Å²	119	114.4 Å²	114.4	77%	0.773	66%	0.661	S	S	*	*			trans	-54.4	106.7	170.9	-22.9	33.4	0	0	0	108.8	L76	P74-L76 PolarHBondContact O-N 2.82Å
75	Q	34.2	Very low	40.5	Very low	184 Å²	184	112.9 Å²	112.9	86%	0.86	65%	0.649	S	S	*	*			trans	-63.6	111.8	-173.6	-171.2	177.7	87.7	0	0	107.4	L73	L73-Q75 PolarHBondContact O-N 3.09Å
76	L	38.2	Very low	42	Very low	101 Å²	101	113 Å²	113	53%	0.529	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-53.3	132.8	-179.7	-75	169.2	0	0	0	108.2	P74 P78 F162	P74-L76 PolarHBondContact O-N 2.82Å; L76-P78 VanDerWaalsContact O-N 3.16Å; L76-F162 HydrophobicContact CD1-CE1 3.94Å; L76-F162 HydrophobicContact CD1-CZ 4.02Å
77	P	37.3	Very low	43.5	Very low	106 Å²	106	112.4 Å²	112.4	69%	0.688	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-55	127.1	-178.8	22.7	-33	0	0	0	108.2	L79	P77-L79 PolarHBondContact O-N 3.06Å
78	P	46.7	Very low	45.2	Very low	113 Å²	113	107 Å²	107	73%	0.734	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-57	127.2	-166.5	20	-32.4	0	0	0	109.9	L76 T80	L76-P78 VanDerWaalsContact O-N 3.16Å; P78-T80 PolarHBondContact O-N 2.95Å; P78-T80 VanDerWaalsContact O-N 3.15Å
79	L	38.4	Very low	47.2	Very low	97 Å²	97	106.8 Å²	106.8	51%	0.508	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-52.2	124.5	179	-68.6	177.1	0	0	0	108.6	P77 T83 N84	P77-L79 PolarHBondContact O-N 3.06Å; L79-T83 HydrophobicContact CD2-CG2 4.23Å; L79-N84 HydrophobicContact CB-CB 4.37Å
80	T	43	Very low	49.1	Very low	93 Å²	93	99.4 Å²	99.4	57%	0.571	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-53.5	140	178.6	47.6	0	0	0	0	109.3	P78 G82 T83 N84	P78-T80 PolarHBondContact O-N 2.95Å; P78-T80 VanDerWaalsContact O-N 3.15Å; T80-G82 VanDerWaalsContact C-N 3.26Å; T80-G82 PolarHBondContact O-N 3.27Å; T80-T83 WeakPolarHBondContact O-CA 3.21Å; T80-T83 WeakPolarHBondContact O-CB 3.28Å; T80-T83 PolarHBondContact O-N 2.97Å; T80-T83 PolarHBondContact OG1-OG1 3.11Å; T80-N84 PolarHBondContact O-N 3.08Å
81	P	49.5	Very low	51.3	Low	111 Å²	111	94.3 Å²	94.3	72%	0.721	53%	0.53	S	S	*	.	H	α-helix	trans	-53	-39.7	-166.6	-32.1	36.4	0	0	0	114.6	T83 N84 Q85	P81-T83 VanDerWaalsContact C-N 3.29Å; P81-T83 PolarHBondContact O-N 2.96Å; P81-N84 PolarHBondContact O-N 3.44Å; P81-Q85 WeakPolarHBondContact O-CB 3.49Å; P81-Q85 PolarHBondContact O-N 2.86Å
82	G	43.7	Very low	53.2	Low	36 Å²	36	93.4 Å²	93.4	37%	0.371	52%	0.52	S	S	.	.	H	α-helix	trans	-69.8	-15.2	176.2	0	0	0	0	0	115.7	T80 K86	T80-G82 VanDerWaalsContact C-N 3.26Å; T80-G82 PolarHBondContact O-N 3.27Å; G82-K86 WeakPolarHBondContact O-CD 3.41Å; G82-K86 VanDerWaalsContact O-CG 3.26Å; G82-K86 WeakPolarHBondContact O-CG 3.28Å
83	T	60.2	Low	55.2	Low	44 Å²	44	92.2 Å²	92.2	27%	0.27	51%	0.506	S	S	.	.	H	α-helix	trans	-82.2	-41.5	167.9	-63	0	0	0	0	110.7	M17 L79 T80 P81 K86 L87	M17-T83 HydrophobicContact CE-CG2 4.34Å; L79-T83 HydrophobicContact CD2-CG2 4.23Å; T80-T83 WeakPolarHBondContact O-CA 3.21Å; T80-T83 WeakPolarHBondContact O-CB 3.28Å; T80-T83 PolarHBondContact O-N 2.97Å; T80-T83 PolarHBondContact OG1-OG1 3.11Å; P81-T83 VanDerWaalsContact C-N 3.29Å; P81-T83 PolarHBondContact O-N 2.96Å; T83-K86 PolarHBondContact O-N 3.5Å; T83-L87 PolarHBondContact O-N 3.01Å; T83-L87 VanDerWaalsContact O-N 3.08Å
84	N	58.5	Low	57.2	Low	76 Å²	76	86.8 Å²	86.8	41%	0.406	48%	0.479	S	S	.	.	H	α-helix	trans	-66.1	-44.9	178	-153.9	-52.4	0	0	0	111.1	L79 T80 P81 K86 L87 S88	L79-N84 HydrophobicContact CB-CB 4.37Å; T80-N84 PolarHBondContact O-N 3.08Å; P81-N84 PolarHBondContact O-N 3.44Å; N84-K86 VanDerWaalsContact C-N 3.34Å; N84-K86 PolarHBondContact O-N 3.32Å; N84-L87 WeakPolarHBondContact O-CB 3.3Å; N84-L87 PolarHBondContact O-N 3.06Å; N84-S88 PolarHBondContact O-N 3.41Å
85	Q	66.8	Low	59.4	Low	139 Å²	139	81.6 Å²	81.6	65%	0.65	45%	0.445	S	S	*	.	H	α-helix	trans	-54.7	-45.9	173.5	-174.9	-180	11.7	0	0	112.7	P81 L87 S88 E89	P81-Q85 WeakPolarHBondContact O-CB 3.49Å; P81-Q85 PolarHBondContact O-N 2.86Å; Q85-L87 VanDerWaalsContact C-N 3.3Å; Q85-L87 PolarHBondContact O-N 2.8Å; Q85-S88 PolarHBondContact O-N 3.48Å; Q85-E89 WeakPolarHBondContact O-CB 3.12Å; Q85-E89 PolarHBondContact O-N 3.32Å
86	K	65.4	Low	61.6	Low	136 Å²	136	76.4 Å²	76.4	59%	0.591	43%	0.428	S	S	*	.	H	α-helix	trans	-67.9	-28	177.8	-75.2	176.1	-177.9	177.9	0	113.2	G82 T83 N84 A90	G82-K86 WeakPolarHBondContact O-CD 3.41Å; G82-K86 VanDerWaalsContact O-CG 3.26Å; G82-K86 WeakPolarHBondContact O-CG 3.28Å; T83-K86 PolarHBondContact O-N 3.5Å; N84-K86 VanDerWaalsContact C-N 3.34Å; N84-K86 PolarHBondContact O-N 3.32Å; K86-A90 WeakPolarHBondContact O-CB 3.48Å; K86-A90 PolarHBondContact O-N 3.09Å; K86-A90 VanDerWaalsContact O-N 3.13Å
87	L	61.6	Low	63.7	Low	64 Å²	64	73.3 Å²	73.3	34%	0.335	42%	0.415	S	S	.	.	H	α-helix	trans	-68.8	-53.6	172.5	-179.1	60.3	0	0	0	110.1	T83 N84 Q85 E89 A90 L91	T83-L87 PolarHBondContact O-N 3.01Å; T83-L87 VanDerWaalsContact O-N 3.08Å; N84-L87 WeakPolarHBondContact O-CB 3.3Å; N84-L87 PolarHBondContact O-N 3.06Å; Q85-L87 VanDerWaalsContact C-N 3.3Å; Q85-L87 PolarHBondContact O-N 2.8Å; L87-E89 VanDerWaalsContact C-N 3.31Å; L87-E89 PolarHBondContact O-N 3.07Å; L87-A90 PolarHBondContact O-N 2.79Å; L87-A90 VanDerWaalsContact O-N 3.15Å; L87-L91 HydrophobicContact CD1-CD1 4.39Å; L87-L91 HydrophobicContact CD1-CG 4.28Å; L87-L91 HydrophobicContact CG-CD1 4.12Å; L87-L91 HydrophobicContact CG-CG 4.42Å; L87-L91 WeakPolarHBondContact O-CB 3.39Å; L87-L91 WeakPolarHBondContact O-CG 3.43Å; L87-L91 PolarHBondContact O-N 3.47Å
88	S	67.2	Low	66.2	Low	22 Å²	22	68.3 Å²	68.3	15%	0.154	38%	0.383	C	S	.	.	H	α-helix	trans	-60.1	-36.6	176.9	-63.2	0	0	0	0	113.5	N84 Q85 L91 R92	N84-S88 PolarHBondContact O-N 3.41Å; Q85-S88 PolarHBondContact O-N 3.48Å; S88-L91 PolarHBondContact O-N 2.94Å; S88-R92 WeakPolarHBondContact O-CB 3.36Å; S88-R92 VanDerWaalsContact O-CG 3.31Å; S88-R92 WeakPolarHBondContact O-CG 3.33Å; S88-R92 PolarHBondContact O-N 3.3Å
89	E	73	Confident	68.1	Low	130 Å²	130	66.5 Å²	66.5	61%	0.607	37%	0.367	S	S	*	.	H	α-helix	trans	-64.5	-43.1	174.6	-174.1	176.8	-157.2	0	0	111.8	Q85 L87 S93	Q85-E89 WeakPolarHBondContact O-CB 3.12Å; Q85-E89 PolarHBondContact O-N 3.32Å; L87-E89 VanDerWaalsContact C-N 3.31Å; L87-E89 PolarHBondContact O-N 3.07Å; E89-S93 WeakPolarHBondContact O-CB 3.18Å; E89-S93 PolarHBondContact O-N 2.98Å
90	A	71.9	Confident	70.3	Confident	15 Å²	15	65.2 Å²	65.2	12%	0.124	37%	0.37	C	S	.	.	H	α-helix	trans	-66.4	-40.8	174	0	0	0	0	0	112.3	K86 L87 S93 S94	K86-A90 WeakPolarHBondContact O-CB 3.48Å; K86-A90 PolarHBondContact O-N 3.09Å; K86-A90 VanDerWaalsContact O-N 3.13Å; L87-A90 PolarHBondContact O-N 2.79Å; L87-A90 VanDerWaalsContact O-N 3.15Å; A90-S93 WeakPolarHBondContact O-CB 3.38Å; A90-S93 PolarHBondContact O-N 3.15Å; A90-S94 PolarHBondContact O-N 3.37Å; A90-S94 PolarHBondContact O-OG 3.49Å
91	L	76.4	Confident	72.2	Confident	13 Å²	13	62 Å²	62	7%	0.068	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-48.3	176.8	-72.8	178.2	0	0	0	111.6	L87 S88 S93 S94 Y95 F130 I166 E169	L87-L91 HydrophobicContact CD1-CD1 4.39Å; L87-L91 HydrophobicContact CD1-CG 4.28Å; L87-L91 HydrophobicContact CG-CD1 4.12Å; L87-L91 HydrophobicContact CG-CG 4.42Å; L87-L91 WeakPolarHBondContact O-CB 3.39Å; L87-L91 WeakPolarHBondContact O-CG 3.43Å; L87-L91 PolarHBondContact O-N 3.47Å; S88-L91 PolarHBondContact O-N 2.94Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 3.49Å; L91-S94 CarbonylContact O-C 3.56Å; L91-S94 WeakPolarHBondContact O-CA 3.37Å; L91-S94 WeakPolarHBondContact O-CB 3.39Å; L91-S94 PolarHBondContact O-N 2.89Å; L91-Y95 HydrophobicContact CB-CE1 4.42Å; L91-Y95 HydrophobicContact CB-CE2 4.11Å; L91-Y95 WeakPolarHBondContact O-CD1 3.27Å; L91-Y95 WeakPolarHBondContact O-CD2 3.43Å; L91-Y95 VanDerWaalsContact O-CG 3.26Å; L91-Y95 PolarHBondContact O-N 2.88Å; L91-F130 HydrophobicContact CD2-CD1 3.85Å; L91-F130 HydrophobicContact CD2-CE1 3.49Å; L91-F130 VanDerWaalsContact CD2-CE1 3.49Å; L91-F130 HydrophobicContact CD2-CZ 4.25Å; L91-I166 HydrophobicContact CD1-CG1 4.38Å; L91-I166 HydrophobicContact CD2-CG1 4.43Å; L91-I166 HydrophobicContact CD2-CG2 3.98Å; L91-E169 WeakPolarHBondContact CD1-OE2 3.41Å
92	R	76.6	Confident	74.1	Confident	140 Å²	140	58.6 Å²	58.6	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-37.1	176.2	-68.9	171.4	-156.2	158.1	7.9	112.8	S88 S94 Y95 E169	S88-R92 WeakPolarHBondContact O-CB 3.36Å; S88-R92 VanDerWaalsContact O-CG 3.31Å; S88-R92 WeakPolarHBondContact O-CG 3.33Å; S88-R92 PolarHBondContact O-N 3.3Å; R92-S94 VanDerWaalsContact C-N 3.27Å; R92-S94 PolarHBondContact O-N 3.09Å; R92-Y95 HydrophobicContact CB-CD2 4.42Å; R92-Y95 HydrophobicContact CG-CD2 4.11Å; R92-Y95 HydrophobicContact CG-CE2 4.18Å; R92-Y95 PolarHBondContact O-N 2.99Å; R92-E169 IonicContact CZ-OE1 2.69Å; R92-E169 IonicContact NE-OE1 3.82Å; R92-E169 PolarHBondContact NE-OE1 3.5Å; R92-E169 IonicContact NH2-OE1 3.66Å; R92-E169 PolarHBondContact NH2-OE1 3.05Å
93	S	75	Confident	76.1	Confident	61 Å²	61	60.2 Å²	60.2	43%	0.427	33%	0.332	S	S	.	.	H	α-helix	trans	-61.6	-35.9	171	-172.1	0	0	0	0	112.2	E89 A90 L91 S96	E89-S93 WeakPolarHBondContact O-CB 3.18Å; E89-S93 PolarHBondContact O-N 2.98Å; A90-S93 WeakPolarHBondContact O-CB 3.38Å; A90-S93 PolarHBondContact O-N 3.15Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 3.49Å; S93-S96 PolarHBondContact O-OG 3.11Å
94	S	77.3	Confident	77.4	Confident	22 Å²	22	65.1 Å²	65.1	15%	0.154	35%	0.349	C	S	.	.	H	α-helix	trans	-75.2	-35.4	176.6	-69.6	0	0	0	0	113.6	A90 L91 R92 S96 S97 F130	A90-S94 PolarHBondContact O-N 3.37Å; A90-S94 PolarHBondContact O-OG 3.49Å; L91-S94 CarbonylContact O-C 3.56Å; L91-S94 WeakPolarHBondContact O-CA 3.37Å; L91-S94 WeakPolarHBondContact O-CB 3.39Å; L91-S94 PolarHBondContact O-N 2.89Å; R92-S94 VanDerWaalsContact C-N 3.27Å; R92-S94 PolarHBondContact O-N 3.09Å; S94-S96 PolarHBondContact O-N 3.09Å; S94-S96 VanDerWaalsContact O-N 3.13Å; S94-S97 PolarHBondContact O-N 2.84Å; S94-S97 VanDerWaalsContact O-N 3.07Å; S94-S97 PolarHBondContact O-OG 3.34Å; S94-F130 VanDerWaalsContact CB-CE1 3.5Å
95	Y	86.4	Confident	78.6	Confident	11 Å²	11	64.4 Å²	64.4	4%	0.043	35%	0.345	C	S	.	.	H	α-helix	trans	-56.3	-29.7	177.8	-60.3	-30.3	0	0	0	112.9	L91 R92 S97 F98 W125 F130 I166 E169 H170	L91-Y95 HydrophobicContact CB-CE1 4.42Å; L91-Y95 HydrophobicContact CB-CE2 4.11Å; L91-Y95 WeakPolarHBondContact O-CD1 3.27Å; L91-Y95 WeakPolarHBondContact O-CD2 3.43Å; L91-Y95 VanDerWaalsContact O-CG 3.26Å; L91-Y95 PolarHBondContact O-N 2.88Å; R92-Y95 HydrophobicContact CB-CD2 4.42Å; R92-Y95 HydrophobicContact CG-CD2 4.11Å; R92-Y95 HydrophobicContact CG-CE2 4.18Å; R92-Y95 PolarHBondContact O-N 2.99Å; Y95-S97 PolarHBondContact O-N 3.49Å; Y95-F98 VanDerWaalsContact O-CB 3.28Å; Y95-F98 WeakPolarHBondContact O-CB 3.3Å; Y95-F98 PolarHBondContact O-N 3.32Å; Y95-W125 HydrophobicContact CD1-CH2 4.16Å; Y95-F130 AromaticContact CD1-CE2 3.93Å; Y95-F130 HydrophobicContact CD1-CE2 3.93Å; Y95-F130 AromaticContact CD1-CZ 3.54Å; Y95-F130 HydrophobicContact CD1-CZ 3.54Å; Y95-F130 HydrophobicContact CE1-CE1 4.34Å; Y95-F130 AromaticContact CE1-CE2 3.71Å; Y95-F130 HydrophobicContact CE1-CE2 3.71Å; Y95-F130 AromaticContact CE1-CZ 3.38Å; Y95-F130 HydrophobicContact CE1-CZ 3.38Å; Y95-I166 PolarHBondContact OH-O 3.35Å; Y95-E169 HydrophobicContact CE2-CB 4.44Å; Y95-E169 HydrophobicContact CE2-CG 4.08Å; Y95-E169 WeakPolarHBondContact OH-CB 3.43Å; Y95-E169 PolarHBondContact OH-OE2 3.1Å; Y95-H170 HydrophobicContact CD1-CB 3.78Å; Y95-H170 AromaticContact CD1-CD2 3.74Å; Y95-H170 AromaticContact CD1-CG 3.52Å; Y95-H170 AromaticContact CD1-ND1 3.84Å; Y95-H170 HydrophobicContact CD2-CB 4.32Å; Y95-H170 HydrophobicContact CE1-CB 3.52Å; Y95-H170 AromaticContact CE1-CG 3.82Å; Y95-H170 HydrophobicContact CE2-CB 4.12Å; Y95-H170 HydrophobicContact CG-CB 4.21Å; Y95-H170 AromaticContact CG-CD2 3.55Å; Y95-H170 AromaticContact CG-CG 3.82Å
96	S	81.2	Confident	79.5	Confident	74 Å²	74	64.5 Å²	64.5	52%	0.517	35%	0.35	S	S	.	.	H	α-helix	trans	-58.5	-18.5	175.7	71.8	0	0	0	0	115.4	S93 S94 F98	S93-S96 PolarHBondContact O-OG 3.11Å; S94-S96 PolarHBondContact O-N 3.09Å; S94-S96 VanDerWaalsContact O-N 3.13Å; S96-F98 VanDerWaalsContact C-N 3.29Å
97	S	82.5	Confident	80.6	Confident	36 Å²	36	58.5 Å²	58.5	25%	0.252	32%	0.324	S	S	.	.	H	α-helix	trans	-76.1	-18.3	173.5	81.2	0	0	0	0	112.8	S94 Y95 W125 E129	S94-S97 PolarHBondContact O-N 2.84Å; S94-S97 VanDerWaalsContact O-N 3.07Å; S94-S97 PolarHBondContact O-OG 3.34Å; Y95-S97 PolarHBondContact O-N 3.49Å; S97-W125 WeakPolarHBondContact OG-CZ2 3.35Å; S97-W125 PolarHBondContact OG-NE1 3.24Å; S97-E129 VanDerWaalsContact CB-OE1 3.3Å; S97-E129 WeakPolarHBondContact CB-OE1 3.34Å; S97-E129 PolarHBondContact OG-OE1 2.78Å
98	F	89.1	Confident	81.8	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-69	-34.4	174.8	-173	-124.9	0	0	0	112	Y95 S96 A100 E101 R102 W114 W122 W125 H170 M174	Y95-F98 VanDerWaalsContact O-CB 3.28Å; Y95-F98 WeakPolarHBondContact O-CB 3.3Å; Y95-F98 PolarHBondContact O-N 3.32Å; S96-F98 VanDerWaalsContact C-N 3.29Å; F98-A100 PolarHBondContact O-N 2.68Å; F98-A100 VanDerWaalsContact O-N 3.14Å; F98-E101 HydrophobicContact CD2-CB 4.48Å; F98-E101 PolarHBondContact O-N 2.98Å; F98-E101 VanDerWaalsContact O-N 3.1Å; F98-R102 HydrophobicContact CD1-CB 4.48Å; F98-R102 HydrophobicContact CE1-CB 4.27Å; F98-R102 HydrophobicContact CE1-CG 4.35Å; F98-R102 HydrophobicContact CZ-CB 4.31Å; F98-R102 HydrophobicContact CZ-CG 4.49Å; F98-R102 WeakPolarHBondContact O-CB 3.23Å; F98-R102 PolarHBondContact O-N 2.76Å; F98-W114 AromaticContact CE1-CH2 3.61Å; F98-W114 HydrophobicContact CE1-CH2 3.61Å; F98-W114 AromaticContact CE1-CZ2 3.7Å; F98-W114 HydrophobicContact CE1-CZ2 3.7Å; F98-W114 AromaticContact CZ-CH2 3.76Å; F98-W114 HydrophobicContact CZ-CH2 3.76Å; F98-W114 AromaticContact CZ-CZ2 3.96Å; F98-W114 HydrophobicContact CZ-CZ2 3.96Å; F98-W122 AromaticContact CE1-CD1 3.76Å; F98-W122 HydrophobicContact CE2-CB 4.13Å; F98-W122 AromaticContact CE2-CD1 3.92Å; F98-W122 HydrophobicContact CE2-CG 4.46Å; F98-W122 HydrophobicContact CZ-CB 3.88Å; F98-W122 AromaticContact CZ-CD1 3.62Å; F98-W122 HydrophobicContact CZ-CG 4.13Å; F98-W125 HydrophobicContact CB-CD2 3.94Å; F98-W125 HydrophobicContact CB-CE3 4.21Å; F98-W125 HydrophobicContact CB-CH2 4Å; F98-W125 HydrophobicContact CB-CZ2 3.64Å; F98-W125 HydrophobicContact CB-CZ3 4.28Å; F98-W125 HydrophobicContact CD2-CB 4.15Å; F98-W125 AromaticContact CD2-CD2 3.52Å; F98-W125 HydrophobicContact CD2-CD2 3.52Å; F98-W125 AromaticContact CD2-CE3 3.83Å; F98-W125 HydrophobicContact CD2-CE3 3.83Å; F98-W125 AromaticContact CD2-CG 3.62Å; F98-W125 HydrophobicContact CD2-CG 3.62Å; F98-W125 HydrophobicContact CE2-CB 4.36Å; F98-W125 HydrophobicContact CE2-CD2 4.43Å; F98-W125 HydrophobicContact CE2-CG 4.31Å; F98-W125 HydrophobicContact CG-CD2 4.06Å; F98-W125 HydrophobicContact CG-CE3 4.16Å; F98-H170 AromaticContact CD1-CE1 3.63Å; F98-H170 AromaticContact CD1-NE2 3.86Å; F98-H170 AromaticContact CG-CE1 3.74Å; F98-M174 HydrophobicContact CD1-SD 3.82Å; F98-M174 HydrophobicContact CE1-SD 3.68Å
99	D	86.4	Confident	82.7	Confident	75 Å²	75	61.9 Å²	61.9	40%	0.401	34%	0.338	S	S	.	.	H	α-helix	trans	-54	-37.4	178.5	-71.5	-68.1	0	0	0	112.6	R102 A103	D99-R102 IonicContact OD1-CZ 2.69Å; D99-R102 IonicContact OD1-NH1 2.83Å; D99-R102 PolarHBondContact OD1-NH1 3.48Å; D99-R102 IonicContact OD1-NH2 3.68Å; D99-R102 PolarHBondContact OD1-NH2 3.06Å; D99-A103 WeakPolarHBondContact O-CB 3.38Å; D99-A103 PolarHBondContact O-N 2.73Å
100	A	83.8	Confident	83.4	Confident	70 Å²	70	57.7 Å²	57.7	58%	0.579	32%	0.32	S	S	*	.	H	α-helix	trans	-73.7	-40.9	178.1	0	0	0	0	0	113	F98 K104	F98-A100 PolarHBondContact O-N 2.68Å; F98-A100 VanDerWaalsContact O-N 3.14Å; A100-K104 WeakPolarHBondContact O-CB 3.38Å; A100-K104 PolarHBondContact O-N 2.9Å
101	E	84.3	Confident	84.3	Confident	24 Å²	24	57 Å²	57	11%	0.112	31%	0.314	C	S	.	.	H	α-helix	trans	-69.9	-38.7	175.6	-158.6	80.4	-107.1	0	0	110.8	F98 A103 K104 L105 R128	F98-E101 HydrophobicContact CD2-CB 4.48Å; F98-E101 PolarHBondContact O-N 2.98Å; F98-E101 VanDerWaalsContact O-N 3.1Å; E101-A103 PolarHBondContact O-N 3.11Å; E101-K104 PolarHBondContact O-N 3.42Å; E101-K104 WeakPolarHBondContact OE1-CD 3.14Å; E101-K104 WeakPolarHBondContact OE1-CE 3.47Å; E101-K104 IonicContact OE1-NZ 3.89Å; E101-K104 PolarHBondContact OE1-NZ 3.11Å; E101-L105 HydrophobicContact CG-CD1 3.95Å; E101-L105 HydrophobicContact CG-CG 4.47Å; E101-L105 WeakPolarHBondContact O-CB 3.33Å; E101-L105 WeakPolarHBondContact O-CG 3.31Å; E101-L105 PolarHBondContact O-N 3.4Å; E101-R128 IonicContact OE2-CZ 2.65Å; E101-R128 IonicContact OE2-NH1 3.18Å; E101-R128 PolarHBondContact OE2-NH1 2.69Å; E101-R128 IonicContact OE2-NH2 2.65Å; E101-R128 PolarHBondContact OE2-NH2 2.97Å
102	R	88.6	Confident	85	Confident	40 Å²	40	58.4 Å²	58.4	15%	0.151	32%	0.323	C	S	.	.	H	α-helix	trans	-57.8	-47.7	174	-169.3	-173	69.5	-132.3	-15.3	111.3	F98 D99 L105 N106 I107	F98-R102 HydrophobicContact CD1-CB 4.48Å; F98-R102 HydrophobicContact CE1-CB 4.27Å; F98-R102 HydrophobicContact CE1-CG 4.35Å; F98-R102 HydrophobicContact CZ-CB 4.31Å; F98-R102 HydrophobicContact CZ-CG 4.49Å; F98-R102 WeakPolarHBondContact O-CB 3.23Å; F98-R102 PolarHBondContact O-N 2.76Å; D99-R102 IonicContact OD1-CZ 2.69Å; D99-R102 IonicContact OD1-NH1 2.83Å; D99-R102 PolarHBondContact OD1-NH1 3.48Å; D99-R102 IonicContact OD1-NH2 3.68Å; D99-R102 PolarHBondContact OD1-NH2 3.06Å; R102-L105 PolarHBondContact O-N 3.4Å; R102-N106 PolarHBondContact O-N 2.92Å; R102-N106 VanDerWaalsContact O-N 3.15Å; R102-I107 HydrophobicContact CB-CB 4.44Å; R102-I107 HydrophobicContact CG-CB 3.63Å; R102-I107 HydrophobicContact CG-CG2 3.81Å; R102-I107 WeakPolarHBondContact CG-O 3.4Å; R102-I107 PolarHBondContact O-N 3.29Å
103	A	86.2	Confident	85.6	Confident	71 Å²	71	57.8 Å²	57.8	59%	0.587	32%	0.324	S	S	*	.	H	α-helix	trans	-64.6	-41.3	175.7	0	0	0	0	0	112.6	D99 E101 L105	D99-A103 WeakPolarHBondContact O-CB 3.38Å; D99-A103 PolarHBondContact O-N 2.73Å; E101-A103 PolarHBondContact O-N 3.11Å; A103-L105 VanDerWaalsContact C-N 3.35Å; A103-L105 PolarHBondContact O-N 2.72Å
104	K	86.3	Confident	86.4	Confident	146 Å²	146	55 Å²	55	64%	0.635	31%	0.305	S	S	*	.	H	α-helix	trans	-66.7	-31.9	177.8	173.4	-178	155.8	-142.3	0	113.4	A100 E101	A100-K104 WeakPolarHBondContact O-CB 3.38Å; A100-K104 PolarHBondContact O-N 2.9Å; E101-K104 PolarHBondContact O-N 3.42Å; E101-K104 WeakPolarHBondContact OE1-CD 3.14Å; E101-K104 WeakPolarHBondContact OE1-CE 3.47Å; E101-K104 IonicContact OE1-NZ 3.89Å; E101-K104 PolarHBondContact OE1-NZ 3.11Å
105	L	84	Confident	87	Confident	61 Å²	61	56.4 Å²	56.4	32%	0.319	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	7.2	-177.8	-62.6	178.8	0	0	0	113.8	E101 R102 A103 I107 Q121	E101-L105 HydrophobicContact CG-CD1 3.95Å; E101-L105 HydrophobicContact CG-CG 4.47Å; E101-L105 WeakPolarHBondContact O-CB 3.33Å; E101-L105 WeakPolarHBondContact O-CG 3.31Å; E101-L105 PolarHBondContact O-N 3.4Å; R102-L105 PolarHBondContact O-N 3.4Å; A103-L105 VanDerWaalsContact C-N 3.35Å; A103-L105 PolarHBondContact O-N 2.72Å; L105-I107 VanDerWaalsContact C-N 3.25Å; L105-I107 HydrophobicContact CB-CD1 3.8Å; L105-I107 HydrophobicContact CB-CG1 3.89Å; L105-I107 HydrophobicContact CD1-CD1 4.09Å; L105-I107 PolarHBondContact O-N 3.34Å; L105-Q121 HydrophobicContact CD1-CB 4.03Å; L105-Q121 HydrophobicContact CD1-CG 4.12Å
106	N	86.8	Confident	87.2	Confident	141 Å²	141	58.4 Å²	58.4	75%	0.754	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	41.5	-176.3	-62.4	-57.3	0	0	0	113.5	R102 Q118	R102-N106 PolarHBondContact O-N 2.92Å; R102-N106 VanDerWaalsContact O-N 3.15Å; N106-Q118 PolarHBondContact O-NE2 2.65Å
107	I	88	Confident	87.7	Confident	11 Å²	11	60.3 Å²	60.3	6%	0.056	33%	0.329	C	S	.	.			trans	-85.6	133.6	177.5	-64.6	171.2	0	0	0	108.8	R102 L105 W114 Q118 Q121	R102-I107 HydrophobicContact CB-CB 4.44Å; R102-I107 HydrophobicContact CG-CB 3.63Å; R102-I107 HydrophobicContact CG-CG2 3.81Å; R102-I107 WeakPolarHBondContact CG-O 3.4Å; R102-I107 PolarHBondContact O-N 3.29Å; L105-I107 VanDerWaalsContact C-N 3.25Å; L105-I107 HydrophobicContact CB-CD1 3.8Å; L105-I107 HydrophobicContact CB-CG1 3.89Å; L105-I107 HydrophobicContact CD1-CD1 4.09Å; L105-I107 PolarHBondContact O-N 3.34Å; I107-W114 HydrophobicContact CG2-CD2 4.18Å; I107-W114 HydrophobicContact CG2-CG 4.33Å; I107-W114 HydrophobicContact CG2-CZ2 3.94Å; I107-W114 VanDerWaalsContact CG2-NE1 3.28Å; I107-Q118 HydrophobicContact CG1-CB 4.18Å; I107-Q118 HydrophobicContact CG1-CG 3.97Å; I107-Q118 HydrophobicContact CG2-CB 4.34Å; I107-Q121 HydrophobicContact CD1-CB 3.82Å
108	P	87	Confident	88.1	Confident	44 Å²	44	60.2 Å²	60.2	29%	0.286	33%	0.325	S	S	.	.			trans	-57.6	147.4	177.5	-26.6	34	0	0	0	113.4	N110 F113 W114	P108-N110 VanDerWaalsContact C-N 3.29Å; P108-N110 PolarHBondContact O-N 3.02Å; P108-F113 HydrophobicContact CB-CB 4.17Å; P108-F113 HydrophobicContact CG-CB 4.16Å; P108-W114 PolarHBondContact O-NE1 3.03Å
109	K	86.1	Confident	88.2	Confident	113 Å²	113	60.1 Å²	60.1	49%	0.491	32%	0.324	S	S	.	.	S	Bend	trans	-53.1	-48.3	170.9	-86.3	-165.3	-179.1	-178.1	0	111.4	E181	K109-E181 IonicContact NZ-OE1 2.79Å; K109-E181 PolarHBondContact NZ-OE1 2.94Å; K109-E181 IonicContact NZ-OE2 2.71Å; K109-E181 PolarHBondContact NZ-OE2 2.8Å
110	N	88	Confident	88.5	Confident	42 Å²	42	61.4 Å²	61.4	23%	0.225	32%	0.323	C	S	.	.	S	Bend	trans	-88.6	122.4	-173.7	177.9	-22.8	0	0	0	111.1	P108 V112 F113 S178	P108-N110 VanDerWaalsContact C-N 3.29Å; P108-N110 PolarHBondContact O-N 3.02Å; N110-V112 PolarHBondContact O-N 3.32Å; N110-V112 WeakPolarHBondContact OD1-CB 3.3Å; N110-V112 WeakPolarHBondContact OD1-CG2 3.36Å; N110-V112 PolarHBondContact OD1-N 2.8Å; N110-F113 HydrophobicContact CB-CD2 3.98Å; N110-F113 HydrophobicContact CB-CE2 4.3Å; N110-F113 PolarHBondContact O-N 2.91Å; N110-S178 VanDerWaalsContact CA-OG 3.27Å; N110-S178 WeakPolarHBondContact CA-OG 3.49Å; N110-S178 WeakPolarHBondContact CB-OG 3.45Å
111	P	90.6	Very high	88.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-66	-21.3	-174.3	26.7	-34.5	0	0	0	114.3	F113 W114 G144 L171 M174 Q175	P111-F113 PolarHBondContact O-N 3.33Å; P111-F113 VanDerWaalsContact O-N 3.13Å; P111-W114 HydrophobicContact CB-CD2 4.04Å; P111-W114 HydrophobicContact CB-CE3 4.19Å; P111-W114 HydrophobicContact CB-CH2 4.33Å; P111-W114 HydrophobicContact CB-CZ2 4.15Å; P111-W114 HydrophobicContact CB-CZ3 4.33Å; P111-W114 WeakPolarHBondContact O-CB 3.31Å; P111-W114 PolarHBondContact O-N 3.35Å; P111-G144 CarbonylContact O-C 3.53Å; P111-G144 WeakPolarHBondContact O-CA 3.24Å; P111-L171 HydrophobicContact CB-CD1 3.95Å; P111-L171 HydrophobicContact CG-CD1 4.14Å; P111-M174 HydrophobicContact CG-CB 4.24Å; P111-Q175 HydrophobicContact CG-CG 3.76Å
112	V	90.8	Very high	89.2	Confident	43 Å²	43	59.4 Å²	59.4	26%	0.261	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-62.7	-20.9	177.6	-178.1	0	0	0	0	112.4	N110 R145 C148	N110-V112 PolarHBondContact O-N 3.32Å; N110-V112 WeakPolarHBondContact OD1-CB 3.3Å; N110-V112 WeakPolarHBondContact OD1-CG2 3.36Å; N110-V112 PolarHBondContact OD1-N 2.8Å; V112-R145 HydrophobicContact CG1-CG 4.02Å; V112-R145 VanDerWaalsContact O-CG 3.23Å; V112-R145 WeakPolarHBondContact O-CG 3.47Å; V112-C148 HydrophobicContact CG2-CB 3.96Å
113	F	89.6	Confident	89.3	Confident	126 Å²	126	57.5 Å²	57.5	55%	0.553	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-98.1	7.4	177.8	-59.6	-70.8	0	0	0	114.1	P108 N110 P111	P108-F113 HydrophobicContact CB-CB 4.17Å; P108-F113 HydrophobicContact CG-CB 4.16Å; N110-F113 HydrophobicContact CB-CD2 3.98Å; N110-F113 HydrophobicContact CB-CE2 4.3Å; N110-F113 PolarHBondContact O-N 2.91Å; P111-F113 PolarHBondContact O-N 3.33Å; P111-F113 VanDerWaalsContact O-N 3.13Å
114	W	92.2	Very high	89.4	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.015	29%	0.286	C	S	.	.			trans	-74.2	136.1	-179.5	-68.4	2.1	0	0	0	111.9	F98 I107 P108 P111 Q118 V119 W122 G144 M174	F98-W114 AromaticContact CE1-CH2 3.61Å; F98-W114 HydrophobicContact CE1-CH2 3.61Å; F98-W114 AromaticContact CE1-CZ2 3.7Å; F98-W114 HydrophobicContact CE1-CZ2 3.7Å; F98-W114 AromaticContact CZ-CH2 3.76Å; F98-W114 HydrophobicContact CZ-CH2 3.76Å; F98-W114 AromaticContact CZ-CZ2 3.96Å; F98-W114 HydrophobicContact CZ-CZ2 3.96Å; I107-W114 HydrophobicContact CG2-CD2 4.18Å; I107-W114 HydrophobicContact CG2-CG 4.33Å; I107-W114 HydrophobicContact CG2-CZ2 3.94Å; I107-W114 VanDerWaalsContact CG2-NE1 3.28Å; P108-W114 PolarHBondContact O-NE1 3.03Å; P111-W114 HydrophobicContact CB-CD2 4.04Å; P111-W114 HydrophobicContact CB-CE3 4.19Å; P111-W114 HydrophobicContact CB-CH2 4.33Å; P111-W114 HydrophobicContact CB-CZ2 4.15Å; P111-W114 HydrophobicContact CB-CZ3 4.33Å; P111-W114 WeakPolarHBondContact O-CB 3.31Å; P111-W114 PolarHBondContact O-N 3.35Å; W114-Q118 HydrophobicContact CB-CB 4.01Å; W114-Q118 HydrophobicContact CG-CB 4.23Å; W114-V119 HydrophobicContact CB-CG2 4.12Å; W114-V119 HydrophobicContact CE3-CG2 4.25Å; W114-W122 HydrophobicContact CE3-CB 4.32Å; W114-W122 HydrophobicContact CH2-CB 3.85Å; W114-W122 AromaticContact CH2-CD1 3.7Å; W114-W122 HydrophobicContact CH2-CD2 4.27Å; W114-W122 AromaticContact CH2-CG 3.68Å; W114-W122 HydrophobicContact CH2-CG 3.68Å; W114-W122 HydrophobicContact CZ3-CB 3.48Å; W114-W122 VanDerWaalsContact CZ3-CB 3.48Å; W114-W122 AromaticContact CZ3-CD1 3.95Å; W114-W122 AromaticContact CZ3-CD2 3.77Å; W114-W122 HydrophobicContact CZ3-CD2 3.77Å; W114-W122 HydrophobicContact CZ3-CE3 4.19Å; W114-W122 AromaticContact CZ3-CG 3.45Å; W114-W122 HydrophobicContact CZ3-CG 3.45Å; W114-W122 VanDerWaalsContact CZ3-CG 3.45Å; W114-G144 WeakPolarHBondContact O-CA 3.23Å; W114-G144 PolarHBondContact O-N 2.9Å; W114-M174 HydrophobicContact CH2-CE 3.58Å; W114-M174 HydrophobicContact CH2-SD 3.69Å; W114-M174 HydrophobicContact CZ2-CE 4.32Å; W114-M174 HydrophobicContact CZ2-SD 3.92Å; W114-M174 HydrophobicContact CZ3-CE 4.3Å
115	S	89.9	Confident	89.7	Confident	51 Å²	51	51.6 Å²	51.6	36%	0.357	26%	0.256	S	S	.	.			trans	-74.3	161.1	164.8	73.3	0	0	0	0	110.8	H117 Q118 V119	S115-H117 PolarHBondContact O-N 2.79Å; S115-Q118 WeakPolarHBondContact O-CA 3.39Å; S115-Q118 WeakPolarHBondContact O-CB 3.47Å; S115-Q118 PolarHBondContact O-N 3.07Å; S115-Q118 PolarHBondContact OG-N 3.18Å; S115-V119 PolarHBondContact O-N 3.07Å
116	P	90.4	Very high	90	Very high	53 Å²	53	48.7 Å²	48.7	34%	0.344	24%	0.241	S	C	.	.	H	α-helix	trans	-56.3	-26.4	174.4	-25.1	33	0	0	0	113.9	R120 L142 D143	P116-R120 VanDerWaalsContact O-CG 3.23Å; P116-R120 WeakPolarHBondContact O-CG 3.37Å; P116-R120 PolarHBondContact O-N 2.97Å; P116-L142 VanDerWaalsContact CA-O 3.25Å; P116-L142 WeakPolarHBondContact CA-O 3.37Å; P116-L142 WeakPolarHBondContact CB-O 3.48Å; P116-D143 HydrophobicContact CG-CB 3.96Å
117	H	90	Very high	90.1	Very high	113 Å²	113	44 Å²	44	52%	0.523	22%	0.215	S	C	.	.	H	α-helix	trans	-67.4	-41.1	171.3	-175.4	89.1	0	0	0	111.8	S115 R120 Q121	S115-H117 PolarHBondContact O-N 2.79Å; H117-R120 WeakPolarHBondContact O-CB 3.4Å; H117-R120 PolarHBondContact O-N 2.71Å; H117-Q121 PolarHBondContact NE2-NE2 3.03Å; H117-Q121 WeakPolarHBondContact O-CG 3.36Å; H117-Q121 PolarHBondContact O-N 3.2Å
118	Q	91.3	Very high	90	Very high	35 Å²	35	48 Å²	48	16%	0.164	23%	0.23	C	C	.	.	H	α-helix	trans	-72.6	-34.6	-179.6	-63.9	173.5	-41.9	0	0	111.9	N106 I107 W114 S115 R120 Q121 W122	N106-Q118 PolarHBondContact O-NE2 2.65Å; I107-Q118 HydrophobicContact CG1-CB 4.18Å; I107-Q118 HydrophobicContact CG1-CG 3.97Å; I107-Q118 HydrophobicContact CG2-CB 4.34Å; W114-Q118 HydrophobicContact CB-CB 4.01Å; W114-Q118 HydrophobicContact CG-CB 4.23Å; S115-Q118 WeakPolarHBondContact O-CA 3.39Å; S115-Q118 WeakPolarHBondContact O-CB 3.47Å; S115-Q118 PolarHBondContact O-N 3.07Å; S115-Q118 PolarHBondContact OG-N 3.18Å; Q118-R120 VanDerWaalsContact C-N 3.32Å; Q118-R120 PolarHBondContact O-N 2.87Å; Q118-Q121 PolarHBondContact O-N 3.37Å; Q118-W122 PolarHBondContact O-N 3.46Å
119	V	92.7	Very high	90	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-45.6	167	175.7	0	0	0	0	110.8	W114 S115 W122 L123 L147	W114-V119 HydrophobicContact CB-CG2 4.12Å; W114-V119 HydrophobicContact CE3-CG2 4.25Å; S115-V119 PolarHBondContact O-N 3.07Å; V119-W122 PolarHBondContact O-N 2.78Å; V119-L123 HydrophobicContact CG1-CD1 4.1Å; V119-L123 WeakPolarHBondContact O-CG 3.46Å; V119-L123 PolarHBondContact O-N 2.85Å; V119-L147 HydrophobicContact CG1-CD1 4.34Å; V119-L147 HydrophobicContact CG1-CD2 3.93Å; V119-L147 HydrophobicContact CG2-CD2 4.02Å
120	R	91.6	Very high	90	Very high	101 Å²	101	45.3 Å²	45.3	38%	0.381	22%	0.215	S	C	.	.	H	α-helix	trans	-63.9	-39.9	174.9	-66.4	170.9	-171.3	173	3.1	112.8	P116 H117 Q118 W122 L123 F124 I137	P116-R120 VanDerWaalsContact O-CG 3.23Å; P116-R120 WeakPolarHBondContact O-CG 3.37Å; P116-R120 PolarHBondContact O-N 2.97Å; H117-R120 WeakPolarHBondContact O-CB 3.4Å; H117-R120 PolarHBondContact O-N 2.71Å; Q118-R120 VanDerWaalsContact C-N 3.32Å; Q118-R120 PolarHBondContact O-N 2.87Å; R120-W122 PolarHBondContact O-N 2.74Å; R120-L123 PolarHBondContact O-N 2.64Å; R120-F124 HydrophobicContact CB-CD2 4.49Å; R120-F124 HydrophobicContact CB-CE2 4.41Å; R120-F124 WeakPolarHBondContact O-CD2 3.45Å; R120-F124 PolarHBondContact O-N 2.74Å; R120-I137 HydrophobicContact CB-CG2 4.26Å; R120-I137 HydrophobicContact CG-CG2 3.69Å
121	Q	89.5	Confident	89.7	Confident	53 Å²	53	47.4 Å²	47.4	25%	0.248	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-40.8	175.5	-67.2	-63.7	-10.4	0	0	112.2	L105 I107 H117 Q118 F124 W125	L105-Q121 HydrophobicContact CD1-CB 4.03Å; L105-Q121 HydrophobicContact CD1-CG 4.12Å; I107-Q121 HydrophobicContact CD1-CB 3.82Å; H117-Q121 PolarHBondContact NE2-NE2 3.03Å; H117-Q121 WeakPolarHBondContact O-CG 3.36Å; H117-Q121 PolarHBondContact O-N 3.2Å; Q118-Q121 PolarHBondContact O-N 3.37Å; Q121-F124 PolarHBondContact O-N 3.09Å; Q121-W125 WeakPolarHBondContact O-CB 3.12Å; Q121-W125 PolarHBondContact O-N 3.18Å
122	W	93	Very high	89.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-43.2	172.8	169.2	73.1	0	0	0	112.2	F98 W114 Q118 V119 R120 W125 A126 L147 F155 L167 H170 L171 M174	F98-W122 AromaticContact CE1-CD1 3.76Å; F98-W122 HydrophobicContact CE2-CB 4.13Å; F98-W122 AromaticContact CE2-CD1 3.92Å; F98-W122 HydrophobicContact CE2-CG 4.46Å; F98-W122 HydrophobicContact CZ-CB 3.88Å; F98-W122 AromaticContact CZ-CD1 3.62Å; F98-W122 HydrophobicContact CZ-CG 4.13Å; W114-W122 HydrophobicContact CE3-CB 4.32Å; W114-W122 HydrophobicContact CH2-CB 3.85Å; W114-W122 AromaticContact CH2-CD1 3.7Å; W114-W122 HydrophobicContact CH2-CD2 4.27Å; W114-W122 AromaticContact CH2-CG 3.68Å; W114-W122 HydrophobicContact CH2-CG 3.68Å; W114-W122 HydrophobicContact CZ3-CB 3.48Å; W114-W122 VanDerWaalsContact CZ3-CB 3.48Å; W114-W122 AromaticContact CZ3-CD1 3.95Å; W114-W122 AromaticContact CZ3-CD2 3.77Å; W114-W122 HydrophobicContact CZ3-CD2 3.77Å; W114-W122 HydrophobicContact CZ3-CE3 4.19Å; W114-W122 AromaticContact CZ3-CG 3.45Å; W114-W122 HydrophobicContact CZ3-CG 3.45Å; W114-W122 VanDerWaalsContact CZ3-CG 3.45Å; Q118-W122 PolarHBondContact O-N 3.46Å; V119-W122 PolarHBondContact O-N 2.78Å; R120-W122 PolarHBondContact O-N 2.74Å; W122-W125 PolarHBondContact O-N 3.22Å; W122-A126 WeakPolarHBondContact O-CB 3.49Å; W122-A126 PolarHBondContact O-N 3.2Å; W122-L147 HydrophobicContact CE3-CD2 4.35Å; W122-L147 HydrophobicContact CZ3-CD2 4.03Å; W122-F155 HydrophobicContact CH2-CE2 4.29Å; W122-F155 AromaticContact CH2-CZ 3.98Å; W122-F155 HydrophobicContact CH2-CZ 3.98Å; W122-F155 HydrophobicContact CZ3-CZ 4.48Å; W122-L167 HydrophobicContact CH2-CB 4.13Å; W122-L167 HydrophobicContact CZ2-CB 4.48Å; W122-L167 WeakPolarHBondContact CZ2-O 3.31Å; W122-H170 AromaticContact CD1-CE1 3.94Å; W122-H170 AromaticContact CD1-ND1 3.91Å; W122-H170 HydrophobicContact CZ2-CB 4.41Å; W122-H170 AromaticContact NE1-CE1 3.47Å; W122-H170 PolarHBondContact NE1-CE1 3.42Å; W122-H170 AromaticContact NE1-CG 3.86Å; W122-H170 AromaticContact NE1-ND1 3.05Å; W122-H170 PolarHBondContact NE1-ND1 3.16Å; W122-L171 HydrophobicContact CH2-CB 4.12Å; W122-L171 HydrophobicContact CZ2-CB 4.07Å; W122-M174 HydrophobicContact CZ2-CE 4.25Å
123	L	91.8	Very high	88.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-44.6	175.3	-70.5	162.4	0	0	0	112.2	V119 R120 W125 A126 I127 V135 I137 Y140 L167	V119-L123 HydrophobicContact CG1-CD1 4.1Å; V119-L123 WeakPolarHBondContact O-CG 3.46Å; V119-L123 PolarHBondContact O-N 2.85Å; R120-L123 PolarHBondContact O-N 2.64Å; L123-W125 VanDerWaalsContact C-N 3.33Å; L123-W125 PolarHBondContact O-N 3.04Å; L123-A126 PolarHBondContact O-N 3.16Å; L123-I127 WeakPolarHBondContact O-CB 3.47Å; L123-I127 WeakPolarHBondContact O-CD1 3.47Å; L123-I127 WeakPolarHBondContact O-CG1 3.22Å; L123-I127 PolarHBondContact O-N 3.45Å; L123-V135 HydrophobicContact CD2-CG1 4.44Å; L123-I137 HydrophobicContact CD1-CG2 4.49Å; L123-Y140 HydrophobicContact CD1-CD1 3.94Å; L123-Y140 HydrophobicContact CD1-CD2 3.89Å; L123-Y140 HydrophobicContact CD1-CG 3.47Å; L123-Y140 VanDerWaalsContact CD1-CG 3.47Å; L123-Y140 HydrophobicContact CD2-CD1 4.19Å; L123-Y140 HydrophobicContact CD2-CD2 4.32Å; L123-Y140 HydrophobicContact CD2-CE1 4.13Å; L123-Y140 HydrophobicContact CD2-CE2 4.28Å; L123-Y140 HydrophobicContact CD2-CG 4.26Å; L123-L167 HydrophobicContact CD2-CD1 4.03Å; L123-L167 HydrophobicContact CD2-CD2 4.31Å
124	F	88.8	Confident	88.1	Confident	90 Å²	90	48.3 Å²	48.3	40%	0.395	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-41.7	174.7	-79.2	-59.1	0	0	0	112	R120 Q121 R128 I137	R120-F124 HydrophobicContact CB-CD2 4.49Å; R120-F124 HydrophobicContact CB-CE2 4.41Å; R120-F124 WeakPolarHBondContact O-CD2 3.45Å; R120-F124 PolarHBondContact O-N 2.74Å; Q121-F124 PolarHBondContact O-N 3.09Å; F124-R128 WeakPolarHBondContact O-CB 3.21Å; F124-R128 PolarHBondContact O-N 3.1Å; F124-R128 VanDerWaalsContact O-N 3.08Å; F124-I137 HydrophobicContact CD1-CD1 3.76Å; F124-I137 HydrophobicContact CD2-CD1 4.5Å; F124-I137 HydrophobicContact CE1-CD1 3.29Å; F124-I137 HydrophobicContact CE2-CD1 4.1Å; F124-I137 HydrophobicContact CG-CD1 4.34Å; F124-I137 HydrophobicContact CZ-CD1 3.48Å; F124-I137 VanDerWaalsContact CZ-CD1 3.48Å
125	W	91.9	Very high	87.7	Confident	3 Å²	3	49 Å²	49	1%	0.011	26%	0.261	C	S	.	.	H	α-helix	trans	-59.9	-48.6	171.8	167.5	91.2	0	0	0	111	Y95 S97 F98 Q121 W122 L123 I127 R128 E129 F130 H170	Y95-W125 HydrophobicContact CD1-CH2 4.16Å; S97-W125 WeakPolarHBondContact OG-CZ2 3.35Å; S97-W125 PolarHBondContact OG-NE1 3.24Å; F98-W125 HydrophobicContact CB-CD2 3.94Å; F98-W125 HydrophobicContact CB-CE3 4.21Å; F98-W125 HydrophobicContact CB-CH2 4Å; F98-W125 HydrophobicContact CB-CZ2 3.64Å; F98-W125 HydrophobicContact CB-CZ3 4.28Å; F98-W125 HydrophobicContact CD2-CB 4.15Å; F98-W125 AromaticContact CD2-CD2 3.52Å; F98-W125 HydrophobicContact CD2-CD2 3.52Å; F98-W125 AromaticContact CD2-CE3 3.83Å; F98-W125 HydrophobicContact CD2-CE3 3.83Å; F98-W125 AromaticContact CD2-CG 3.62Å; F98-W125 HydrophobicContact CD2-CG 3.62Å; F98-W125 HydrophobicContact CE2-CB 4.36Å; F98-W125 HydrophobicContact CE2-CD2 4.43Å; F98-W125 HydrophobicContact CE2-CG 4.31Å; F98-W125 HydrophobicContact CG-CD2 4.06Å; F98-W125 HydrophobicContact CG-CE3 4.16Å; Q121-W125 WeakPolarHBondContact O-CB 3.12Å; Q121-W125 PolarHBondContact O-N 3.18Å; W122-W125 PolarHBondContact O-N 3.22Å; L123-W125 VanDerWaalsContact C-N 3.33Å; L123-W125 PolarHBondContact O-N 3.04Å; W125-I127 PolarHBondContact O-N 3.14Å; W125-R128 WeakPolarHBondContact O-CB 3.35Å; W125-R128 PolarHBondContact O-N 3.16Å; W125-E129 HydrophobicContact CH2-CB 4.38Å; W125-E129 HydrophobicContact CH2-CG 4.41Å; W125-E129 HydrophobicContact CZ2-CB 3.96Å; W125-E129 HydrophobicContact CZ2-CG 3.76Å; W125-E129 WeakPolarHBondContact O-CB 3.42Å; W125-E129 PolarHBondContact O-N 3.44Å; W125-F130 AromaticContact CH2-CE2 3.59Å; W125-F130 HydrophobicContact CH2-CE2 3.59Å; W125-F130 HydrophobicContact CH2-CZ 4.17Å; W125-F130 AromaticContact CZ3-CE2 3.91Å; W125-F130 HydrophobicContact CZ3-CE2 3.91Å; W125-H170 AromaticContact CH2-CE1 3.57Å; W125-H170 AromaticContact CH2-ND1 3.77Å; W125-H170 AromaticContact CZ3-CE1 3.3Å; W125-H170 WeakPolarHBondContact CZ3-CE1 3.22Å; W125-H170 AromaticContact CZ3-ND1 3.27Å; W125-H170 VanDerWaalsContact CZ3-ND1 3.27Å; W125-H170 WeakPolarHBondContact CZ3-ND1 3.28Å
126	A	90.4	Very high	87.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-39.5	-176	0	0	0	0	0	112.6	W122 L123 R128 E129 F130 L132 L167	W122-A126 WeakPolarHBondContact O-CB 3.49Å; W122-A126 PolarHBondContact O-N 3.2Å; L123-A126 PolarHBondContact O-N 3.16Å; A126-R128 VanDerWaalsContact C-N 3.3Å; A126-R128 PolarHBondContact O-N 2.81Å; A126-E129 PolarHBondContact O-N 3.22Å; A126-F130 HydrophobicContact CB-CD2 4.41Å; A126-F130 WeakPolarHBondContact O-CD2 3.35Å; A126-F130 PolarHBondContact O-N 3.38Å; A126-L132 HydrophobicContact CB-CD1 4.28Å; A126-L167 HydrophobicContact CB-CD2 3.4Å
127	I	88.1	Confident	87.1	Confident	42 Å²	42	47.7 Å²	47.7	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-43.7	173.1	-70.3	162.6	0	0	0	110.3	L123 W125 S131 L132 V135 I137	L123-I127 WeakPolarHBondContact O-CB 3.47Å; L123-I127 WeakPolarHBondContact O-CD1 3.47Å; L123-I127 WeakPolarHBondContact O-CG1 3.22Å; L123-I127 PolarHBondContact O-N 3.45Å; W125-I127 PolarHBondContact O-N 3.14Å; I127-S131 CarbonylContact O-C 3.58Å; I127-S131 WeakPolarHBondContact O-CA 3.46Å; I127-S131 PolarHBondContact O-N 3.04Å; I127-S131 VanDerWaalsContact O-N 3.08Å; I127-L132 HydrophobicContact CG1-CB 4.28Å; I127-L132 HydrophobicContact CG1-CD1 4.39Å; I127-L132 PolarHBondContact O-N 3.45Å; I127-V135 HydrophobicContact CD1-CB 3.88Å; I127-V135 HydrophobicContact CD1-CG1 3.96Å; I127-V135 HydrophobicContact CG1-CB 4.02Å; I127-V135 HydrophobicContact CG1-CG1 4.3Å; I127-V135 HydrophobicContact CG1-CG2 4.17Å; I127-I137 HydrophobicContact CD1-CD1 4.02Å; I127-I137 HydrophobicContact CD1-CG1 4.08Å
128	R	85.9	Confident	86.7	Confident	96 Å²	96	49.4 Å²	49.4	36%	0.362	26%	0.257	S	S	.	.	H	α-helix	trans	-67.5	-48.4	176.8	-172.8	-169	72.7	-162	2.6	112.2	E101 F124 W125 A126	E101-R128 IonicContact OE2-CZ 2.65Å; E101-R128 IonicContact OE2-NH1 3.18Å; E101-R128 PolarHBondContact OE2-NH1 2.69Å; E101-R128 IonicContact OE2-NH2 2.65Å; E101-R128 PolarHBondContact OE2-NH2 2.97Å; F124-R128 WeakPolarHBondContact O-CB 3.21Å; F124-R128 PolarHBondContact O-N 3.1Å; F124-R128 VanDerWaalsContact O-N 3.08Å; W125-R128 WeakPolarHBondContact O-CB 3.35Å; W125-R128 PolarHBondContact O-N 3.16Å; A126-R128 VanDerWaalsContact C-N 3.3Å; A126-R128 PolarHBondContact O-N 2.81Å
129	E	87.4	Confident	86.4	Confident	63 Å²	63	52 Å²	52	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-70.8	-45.9	-171.3	-157.5	73.9	178.5	0	0	112.1	S97 W125 A126	S97-E129 VanDerWaalsContact CB-OE1 3.3Å; S97-E129 WeakPolarHBondContact CB-OE1 3.34Å; S97-E129 PolarHBondContact OG-OE1 2.78Å; W125-E129 HydrophobicContact CH2-CB 4.38Å; W125-E129 HydrophobicContact CH2-CG 4.41Å; W125-E129 HydrophobicContact CZ2-CB 3.96Å; W125-E129 HydrophobicContact CZ2-CG 3.76Å; W125-E129 WeakPolarHBondContact O-CB 3.42Å; W125-E129 PolarHBondContact O-N 3.44Å; A126-E129 PolarHBondContact O-N 3.22Å
130	F	85.4	Confident	86.1	Confident	36 Å²	36	52 Å²	52	16%	0.158	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2.9	-179.7	-59.6	-71.6	0	0	0	113.3	L91 S94 Y95 W125 A126 L132 I166	L91-F130 HydrophobicContact CD2-CD1 3.85Å; L91-F130 HydrophobicContact CD2-CE1 3.49Å; L91-F130 VanDerWaalsContact CD2-CE1 3.49Å; L91-F130 HydrophobicContact CD2-CZ 4.25Å; S94-F130 VanDerWaalsContact CB-CE1 3.5Å; Y95-F130 AromaticContact CD1-CE2 3.93Å; Y95-F130 HydrophobicContact CD1-CE2 3.93Å; Y95-F130 AromaticContact CD1-CZ 3.54Å; Y95-F130 HydrophobicContact CD1-CZ 3.54Å; Y95-F130 HydrophobicContact CE1-CE1 4.34Å; Y95-F130 AromaticContact CE1-CE2 3.71Å; Y95-F130 HydrophobicContact CE1-CE2 3.71Å; Y95-F130 AromaticContact CE1-CZ 3.38Å; Y95-F130 HydrophobicContact CE1-CZ 3.38Å; W125-F130 AromaticContact CH2-CE2 3.59Å; W125-F130 HydrophobicContact CH2-CE2 3.59Å; W125-F130 HydrophobicContact CH2-CZ 4.17Å; W125-F130 AromaticContact CZ3-CE2 3.91Å; W125-F130 HydrophobicContact CZ3-CE2 3.91Å; A126-F130 HydrophobicContact CB-CD2 4.41Å; A126-F130 WeakPolarHBondContact O-CD2 3.35Å; A126-F130 PolarHBondContact O-N 3.38Å; F130-L132 VanDerWaalsContact C-N 3.27Å; F130-L132 HydrophobicContact CB-CD1 4.45Å; F130-L132 HydrophobicContact CB-CD2 3.52Å; F130-L132 HydrophobicContact CB-CG 3.84Å; F130-L132 PolarHBondContact O-N 3.36Å; F130-I166 HydrophobicContact CB-CG2 4.48Å; F130-I166 HydrophobicContact CD1-CG2 4.16Å; F130-I166 HydrophobicContact CD2-CG2 3.83Å; F130-I166 HydrophobicContact CE1-CG2 4.41Å; F130-I166 HydrophobicContact CE2-CG2 4.1Å; F130-I166 HydrophobicContact CG-CG2 3.88Å; F130-I166 HydrophobicContact CZ-CG2 4.4Å
131	S	82.2	Confident	85.9	Confident	87 Å²	87	49.9 Å²	49.9	61%	0.608	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	42.3	-177.3	-63.4	0	0	0	0	113	I127 N133	I127-S131 CarbonylContact O-C 3.58Å; I127-S131 WeakPolarHBondContact O-CA 3.46Å; I127-S131 PolarHBondContact O-N 3.04Å; I127-S131 VanDerWaalsContact O-N 3.08Å; S131-N133 PolarHBondContact O-ND2 3.34Å
132	L	83.9	Confident	85.9	Confident	17 Å²	17	48.1 Å²	48.1	9%	0.089	27%	0.265	C	S	.	.			trans	-67.6	145	-176.9	-49.3	174.7	0	0	0	110.5	A126 I127 F130 V135 V163 I166 L167	A126-L132 HydrophobicContact CB-CD1 4.28Å; I127-L132 HydrophobicContact CG1-CB 4.28Å; I127-L132 HydrophobicContact CG1-CD1 4.39Å; I127-L132 PolarHBondContact O-N 3.45Å; F130-L132 VanDerWaalsContact C-N 3.27Å; F130-L132 HydrophobicContact CB-CD1 4.45Å; F130-L132 HydrophobicContact CB-CD2 3.52Å; F130-L132 HydrophobicContact CB-CG 3.84Å; F130-L132 PolarHBondContact O-N 3.36Å; L132-V135 HydrophobicContact CB-CG2 3.9Å; L132-V135 HydrophobicContact CD1-CG2 4.33Å; L132-V163 HydrophobicContact CB-CG1 4.09Å; L132-V163 HydrophobicContact CD1-CG1 3.77Å; L132-V163 HydrophobicContact CD2-CG1 3.92Å; L132-V163 HydrophobicContact CD2-CG2 4.42Å; L132-V163 HydrophobicContact CG-CG1 4.12Å; L132-I166 HydrophobicContact CD2-CD1 4.11Å; L132-L167 HydrophobicContact CD1-CD1 4.42Å; L132-L167 HydrophobicContact CD1-CD2 3.82Å; L132-L167 HydrophobicContact CD1-CG 4.16Å
133	N	76.5	Confident	85.7	Confident	108 Å²	108	50.4 Å²	50.4	58%	0.578	28%	0.278	S	S	*	.			trans	-124.7	143.5	-179.7	-58.1	-101.8	0	0	0	108.9	S131 V135	S131-N133 PolarHBondContact O-ND2 3.34Å; N133-V135 VanDerWaalsContact C-N 3.33Å; N133-V135 PolarHBondContact O-N 2.97Å
134	G	78.2	Confident	85.7	Confident	63 Å²	63	50.4 Å²	50.4	65%	0.649	28%	0.278	S	S	*	.	S	Bend	trans	77.6	4.7	176.6	0	0	0	0	0	116.3	V136 P160	G134-V136 PolarHBondContact O-N 3.45Å; G134-P160 VanDerWaalsContact C-CG 3.47Å; G134-P160 VanDerWaalsContact O-CG 3.25Å; G134-P160 WeakPolarHBondContact O-CG 3.44Å
135	V	83.5	Confident	85.8	Confident	17 Å²	17	53.1 Å²	53.1	10%	0.103	29%	0.285	C	S	.	.			trans	-68.2	104.3	176.1	-178.4	0	0	0	0	109.6	L123 I127 L132 N133 I137 Y140 P160 V163	L123-V135 HydrophobicContact CD2-CG1 4.44Å; I127-V135 HydrophobicContact CD1-CB 3.88Å; I127-V135 HydrophobicContact CD1-CG1 3.96Å; I127-V135 HydrophobicContact CG1-CB 4.02Å; I127-V135 HydrophobicContact CG1-CG1 4.3Å; I127-V135 HydrophobicContact CG1-CG2 4.17Å; L132-V135 HydrophobicContact CB-CG2 3.9Å; L132-V135 HydrophobicContact CD1-CG2 4.33Å; N133-V135 VanDerWaalsContact C-N 3.33Å; N133-V135 PolarHBondContact O-N 2.97Å; V135-I137 PolarHBondContact O-N 2.91Å; V135-Y140 HydrophobicContact CG1-CE2 4.09Å; V135-P160 HydrophobicContact CG2-CG 4.19Å; V135-V163 HydrophobicContact CG2-CG1 3.51Å
136	V	82.3	Confident	85.8	Confident	61 Å²	61	57.5 Å²	57.5	37%	0.37	31%	0.306	S	S	.	.			trans	-77.3	105.9	175.3	-178.1	0	0	0	0	108.7	G134 E138 H139	G134-V136 PolarHBondContact O-N 3.45Å; V136-E138 HydrophobicContact CG1-CB 4.13Å; V136-E138 PolarHBondContact O-N 3.35Å; V136-H139 WeakPolarHBondContact O-CB 3.34Å; V136-H139 PolarHBondContact O-N 3.19Å; V136-H139 VanDerWaalsContact O-N 3.15Å
137	I	85.1	Confident	85.9	Confident	17 Å²	17	57.5 Å²	57.5	9%	0.087	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-64.6	-25.6	-175.2	-61.5	178.3	0	0	0	111.6	R120 L123 F124 I127 V135 H139 Y140	R120-I137 HydrophobicContact CB-CG2 4.26Å; R120-I137 HydrophobicContact CG-CG2 3.69Å; L123-I137 HydrophobicContact CD1-CG2 4.49Å; F124-I137 HydrophobicContact CD1-CD1 3.76Å; F124-I137 HydrophobicContact CD2-CD1 4.5Å; F124-I137 HydrophobicContact CE1-CD1 3.29Å; F124-I137 HydrophobicContact CE2-CD1 4.1Å; F124-I137 HydrophobicContact CG-CD1 4.34Å; F124-I137 HydrophobicContact CZ-CD1 3.48Å; F124-I137 VanDerWaalsContact CZ-CD1 3.48Å; I127-I137 HydrophobicContact CD1-CD1 4.02Å; I127-I137 HydrophobicContact CD1-CG1 4.08Å; V135-I137 PolarHBondContact O-N 2.91Å; I137-H139 VanDerWaalsContact C-N 3.31Å; I137-H139 PolarHBondContact O-N 3Å; I137-Y140 CarbonylContact O-C 3.6Å; I137-Y140 WeakPolarHBondContact O-CA 3.21Å; I137-Y140 WeakPolarHBondContact O-CB 3.41Å; I137-Y140 PolarHBondContact O-N 2.8Å
138	E	81.4	Confident	86	Confident	148 Å²	148	56.5 Å²	56.5	69%	0.692	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-66.1	-28.9	176.6	-56.4	-170.3	150.9	0	0	113.3	V136 Y140 A141	V136-E138 HydrophobicContact CG1-CB 4.13Å; V136-E138 PolarHBondContact O-N 3.35Å; E138-Y140 PolarHBondContact O-N 2.86Å; E138-A141 WeakPolarHBondContact O-CB 3.43Å; E138-A141 PolarHBondContact O-N 3.29Å
139	H	84.7	Confident	86.3	Confident	91 Å²	91	56.2 Å²	56.2	42%	0.421	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-63.5	-14.2	172	-62.2	-178.8	0	0	0	112.6	V136 I137 R158	V136-H139 WeakPolarHBondContact O-CB 3.34Å; V136-H139 PolarHBondContact O-N 3.19Å; V136-H139 VanDerWaalsContact O-N 3.15Å; I137-H139 VanDerWaalsContact C-N 3.31Å; I137-H139 PolarHBondContact O-N 3Å; H139-R158 HydrophobicContact CB-CB 4.16Å; H139-R158 PolarHBondContact ND1-O 2.91Å; H139-R158 WeakPolarHBondContact O-CD 3.38Å; H139-R158 PolarHBondContact O-NH1 3.45Å
140	Y	86.8	Confident	86.4	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-115.5	30.1	176.8	-59.4	-98.1	0	0	0	112.1	L123 V135 I137 E138 L142 L147 F155 S159 L167	L123-Y140 HydrophobicContact CD1-CD1 3.94Å; L123-Y140 HydrophobicContact CD1-CD2 3.89Å; L123-Y140 HydrophobicContact CD1-CG 3.47Å; L123-Y140 VanDerWaalsContact CD1-CG 3.47Å; L123-Y140 HydrophobicContact CD2-CD1 4.19Å; L123-Y140 HydrophobicContact CD2-CD2 4.32Å; L123-Y140 HydrophobicContact CD2-CE1 4.13Å; L123-Y140 HydrophobicContact CD2-CE2 4.28Å; L123-Y140 HydrophobicContact CD2-CG 4.26Å; V135-Y140 HydrophobicContact CG1-CE2 4.09Å; I137-Y140 CarbonylContact O-C 3.6Å; I137-Y140 WeakPolarHBondContact O-CA 3.21Å; I137-Y140 WeakPolarHBondContact O-CB 3.41Å; I137-Y140 PolarHBondContact O-N 2.8Å; E138-Y140 PolarHBondContact O-N 2.86Å; Y140-L142 PolarHBondContact O-N 2.87Å; Y140-L147 HydrophobicContact CD1-CD1 3.94Å; Y140-L147 HydrophobicContact CE1-CD1 4.48Å; Y140-F155 HydrophobicContact CE1-CD2 4.41Å; Y140-F155 HydrophobicContact CE1-CE1 4.35Å; Y140-F155 AromaticContact CE1-CE2 3.77Å; Y140-F155 HydrophobicContact CE1-CE2 3.77Å; Y140-F155 AromaticContact CE1-CZ 3.71Å; Y140-F155 HydrophobicContact CE1-CZ 3.71Å; Y140-S159 PolarHBondContact OH-OG 3.12Å; Y140-L167 WeakPolarHBondContact OH-CD1 3.42Å
141	A	87	Confident	86.7	Confident	55 Å²	55	55.9 Å²	55.9	46%	0.455	32%	0.319	S	S	.	.			trans	-72.4	53	166.6	0	0	0	0	0	111.7	E138	E138-A141 WeakPolarHBondContact O-CB 3.43Å; E138-A141 PolarHBondContact O-N 3.29Å
142	L	88.8	Confident	87	Confident	16 Å²	16	57.9 Å²	57.9	8%	0.084	31%	0.314	C	S	.	.			trans	-116.5	155.6	-176.6	-61.1	-179.8	0	0	0	110.3	P116 Y140 E146 L147 L150	P116-L142 VanDerWaalsContact CA-O 3.25Å; P116-L142 WeakPolarHBondContact CA-O 3.37Å; P116-L142 WeakPolarHBondContact CB-O 3.48Å; Y140-L142 PolarHBondContact O-N 2.87Å; L142-E146 VanDerWaalsContact CA-OE2 3.27Å; L142-E146 WeakPolarHBondContact CA-OE2 3.24Å; L142-E146 HydrophobicContact CB-CB 3.96Å; L142-E146 HydrophobicContact CD1-CB 4.48Å; L142-E146 HydrophobicContact CD2-CB 4.16Å; L142-E146 HydrophobicContact CG-CB 4.42Å; L142-L147 HydrophobicContact CD1-CD1 4.35Å; L142-L150 HydrophobicContact CD1-CD1 3.79Å; L142-L150 HydrophobicContact CD1-CG 4.36Å
143	D	90.3	Very high	87.3	Confident	48 Å²	48	63.9 Å²	63.9	26%	0.257	34%	0.341	S	S	.	.			trans	-79.4	172.7	162.5	94.6	-2.7	0	0	0	112.1	P116 R145 E146 L147	P116-D143 HydrophobicContact CG-CB 3.96Å; D143-R145 VanDerWaalsContact C-N 3.28Å; D143-R145 PolarHBondContact O-N 2.89Å; D143-R145 VanDerWaalsContact OD1-CA 3.31Å; D143-R145 WeakPolarHBondContact OD1-CA 3.43Å; D143-R145 WeakPolarHBondContact OD1-CB 3.4Å; D143-R145 PolarHBondContact OD1-N 2.73Å; D143-E146 PolarHBondContact N-OE2 3.19Å; D143-E146 PolarHBondContact O-N 2.95Å; D143-E146 PolarHBondContact OD1-N 2.84Å; D143-L147 VanDerWaalsContact O-CB 3.26Å; D143-L147 WeakPolarHBondContact O-CB 3.35Å; D143-L147 PolarHBondContact O-N 2.83Å
144	G	90.8	Very high	87.9	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66.3	-25.3	-179.5	0	0	0	0	0	114.7	P111 W114 C148	P111-G144 CarbonylContact O-C 3.53Å; P111-G144 WeakPolarHBondContact O-CA 3.24Å; W114-G144 WeakPolarHBondContact O-CA 3.23Å; W114-G144 PolarHBondContact O-N 2.9Å; G144-C148 WeakPolarHBondContact O-CB 3.31Å; G144-C148 PolarHBondContact O-N 3.24Å; G144-C148 VanDerWaalsContact O-N 3.15Å; G144-C148 PolarHBondContact O-SG 2.78Å
145	R	91	Very high	88.6	Confident	147 Å²	147	60.1 Å²	60.1	56%	0.555	30%	0.303	S	S	*	.	H	α-helix	trans	-75.1	-50	176.4	-53.3	174.8	167.5	-81.8	-2.9	109.5	V112 D143 L147 C148 S149	V112-R145 HydrophobicContact CG1-CG 4.02Å; V112-R145 VanDerWaalsContact O-CG 3.23Å; V112-R145 WeakPolarHBondContact O-CG 3.47Å; D143-R145 VanDerWaalsContact C-N 3.28Å; D143-R145 PolarHBondContact O-N 2.89Å; D143-R145 VanDerWaalsContact OD1-CA 3.31Å; D143-R145 WeakPolarHBondContact OD1-CA 3.43Å; D143-R145 WeakPolarHBondContact OD1-CB 3.4Å; D143-R145 PolarHBondContact OD1-N 2.73Å; R145-L147 VanDerWaalsContact C-N 3.34Å; R145-L147 PolarHBondContact O-N 3.32Å; R145-C148 PolarHBondContact O-N 2.74Å; R145-S149 VanDerWaalsContact O-CB 3.29Å; R145-S149 WeakPolarHBondContact O-CB 3.47Å; R145-S149 PolarHBondContact O-N 3.37Å; R145-S149 PolarHBondContact O-OG 2.91Å
146	E	91.8	Very high	88.8	Confident	96 Å²	96	61.8 Å²	61.8	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-55.2	-50.5	174	-69.1	178.9	127.8	0	0	110.3	L142 D143 C148 S149 L150	L142-E146 VanDerWaalsContact CA-OE2 3.27Å; L142-E146 WeakPolarHBondContact CA-OE2 3.24Å; L142-E146 HydrophobicContact CB-CB 3.96Å; L142-E146 HydrophobicContact CD1-CB 4.48Å; L142-E146 HydrophobicContact CD2-CB 4.16Å; L142-E146 HydrophobicContact CG-CB 4.42Å; D143-E146 PolarHBondContact N-OE2 3.19Å; D143-E146 PolarHBondContact O-N 2.95Å; D143-E146 PolarHBondContact OD1-N 2.84Å; E146-C148 PolarHBondContact O-N 3.09Å; E146-S149 WeakPolarHBondContact CA-OG 3.4Å; E146-S149 PolarHBondContact O-N 2.98Å; E146-S149 PolarHBondContact O-OG 2.9Å; E146-L150 PolarHBondContact O-N 2.74Å
147	L	92.3	Very high	89.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58	-42	179.4	-170.6	74.8	0	0	0	113.2	V119 W122 Y140 L142 D143 R145 F155 L171	V119-L147 HydrophobicContact CG1-CD1 4.34Å; V119-L147 HydrophobicContact CG1-CD2 3.93Å; V119-L147 HydrophobicContact CG2-CD2 4.02Å; W122-L147 HydrophobicContact CE3-CD2 4.35Å; W122-L147 HydrophobicContact CZ3-CD2 4.03Å; Y140-L147 HydrophobicContact CD1-CD1 3.94Å; Y140-L147 HydrophobicContact CE1-CD1 4.48Å; L142-L147 HydrophobicContact CD1-CD1 4.35Å; D143-L147 VanDerWaalsContact O-CB 3.26Å; D143-L147 WeakPolarHBondContact O-CB 3.35Å; D143-L147 PolarHBondContact O-N 2.83Å; R145-L147 VanDerWaalsContact C-N 3.34Å; R145-L147 PolarHBondContact O-N 3.32Å; L147-F155 HydrophobicContact CD1-CD2 4.33Å; L147-F155 HydrophobicContact CD1-CE2 3.92Å; L147-L171 HydrophobicContact CD2-CD1 4.02Å; L147-L171 HydrophobicContact CD2-CD2 4.25Å; L147-L171 HydrophobicContact CG-CD1 4.47Å; L147-L171 HydrophobicContact CG-CD2 3.93Å
148	C	91.4	Very high	89.2	Confident	21 Å²	21	67.9 Å²	67.9	14%	0.142	34%	0.336	C	S	.	.	H	α-helix	trans	-79	-18.2	177.1	-62.7	0	0	0	0	113.2	V112 G144 R145 E146	V112-C148 HydrophobicContact CG2-CB 3.96Å; G144-C148 WeakPolarHBondContact O-CB 3.31Å; G144-C148 PolarHBondContact O-N 3.24Å; G144-C148 VanDerWaalsContact O-N 3.15Å; G144-C148 PolarHBondContact O-SG 2.78Å; R145-C148 PolarHBondContact O-N 2.74Å; E146-C148 PolarHBondContact O-N 3.09Å
149	S	91.6	Very high	89.3	Confident	89 Å²	89	61.5 Å²	61.5	62%	0.622	31%	0.308	S	S	*	.	H	α-helix	trans	-84.7	-17.5	177.9	72	0	0	0	0	114.1	R145 E146	R145-S149 VanDerWaalsContact O-CB 3.29Å; R145-S149 WeakPolarHBondContact O-CB 3.47Å; R145-S149 PolarHBondContact O-N 3.37Å; R145-S149 PolarHBondContact O-OG 2.91Å; E146-S149 WeakPolarHBondContact CA-OG 3.4Å; E146-S149 PolarHBondContact O-N 2.98Å; E146-S149 PolarHBondContact O-OG 2.9Å
150	L	90.4	Very high	89	Confident	18 Å²	18	58.5 Å²	58.5	9%	0.094	30%	0.297	C	S	.	.	S	Bend	trans	-59.5	139.2	175	-67.3	-178.6	0	0	0	111.4	L142 E146 E154 F155 W168	L142-L150 HydrophobicContact CD1-CD1 3.79Å; L142-L150 HydrophobicContact CD1-CG 4.36Å; E146-L150 PolarHBondContact O-N 2.74Å; L150-E154 HydrophobicContact CD2-CB 4.13Å; L150-F155 HydrophobicContact CB-CB 4.44Å; L150-F155 HydrophobicContact CD1-CB 4.26Å; L150-F155 HydrophobicContact CD1-CD2 4.14Å; L150-W168 WeakPolarHBondContact O-CH2 3.12Å
151	T	90.2	Very high	88.4	Confident	74 Å²	74	63.1 Å²	63.1	45%	0.454	33%	0.327	S	S	.	.			trans	-65.5	157.6	161.6	65.1	0	0	0	0	110.6	E153 E154 F155	T151-E153 PolarHBondContact O-N 3.21Å; T151-E154 VanDerWaalsContact CB-OE2 3.3Å; T151-E154 WeakPolarHBondContact CB-OE2 3.25Å; T151-E154 WeakPolarHBondContact CG2-OE2 3.5Å; T151-E154 PolarHBondContact N-OE2 3.43Å; T151-E154 PolarHBondContact O-N 2.96Å; T151-E154 VanDerWaalsContact OG1-CD 3.32Å; T151-E154 VanDerWaalsContact OG1-CG 3.29Å; T151-E154 WeakPolarHBondContact OG1-CG 3.35Å; T151-E154 PolarHBondContact OG1-N 3.03Å; T151-E154 PolarHBondContact OG1-OE2 3.06Å; T151-F155 PolarHBondContact O-N 3.25Å
152	R	90.1	Very high	87.7	Confident	129 Å²	129	67.4 Å²	67.4	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-55.5	-37.3	174.2	-176.3	174.6	177.3	-176.3	-1.3	111.6	F155 L156 D165 W168	R152-F155 PolarHBondContact O-N 2.66Å; R152-L156 HydrophobicContact CG-CD1 3.95Å; R152-L156 HydrophobicContact CG-CG 4.17Å; R152-L156 WeakPolarHBondContact O-CB 3.47Å; R152-L156 WeakPolarHBondContact O-CG 3.39Å; R152-L156 PolarHBondContact O-N 2.98Å; R152-D165 IonicContact CZ-OD1 3.19Å; R152-D165 IonicContact NE-OD1 2.66Å; R152-D165 IonicContact NH2-OD1 3.4Å; R152-D165 PolarHBondContact NH2-OD1 3.44Å; R152-W168 HydrophobicContact CB-CD2 4.06Å; R152-W168 HydrophobicContact CB-CE3 4.45Å; R152-W168 HydrophobicContact CB-CH2 4.1Å; R152-W168 HydrophobicContact CB-CZ2 3.69Å; R152-W168 HydrophobicContact CB-CZ3 4.46Å; R152-W168 HydrophobicContact CG-CD2 3.84Å; R152-W168 HydrophobicContact CG-CE3 4.49Å; R152-W168 HydrophobicContact CG-CG 3.98Å; R152-W168 HydrophobicContact CG-CZ2 4.32Å
153	E	88.8	Confident	87.4	Confident	143 Å²	143	67.6 Å²	67.6	67%	0.668	34%	0.337	S	S	*	.	H	α-helix	trans	-67.3	-47.1	-179.4	-172.5	171.3	170.3	0	0	112	T151 F155 L156 N157	T151-E153 PolarHBondContact O-N 3.21Å; E153-F155 VanDerWaalsContact C-N 3.3Å; E153-F155 PolarHBondContact O-N 2.8Å; E153-L156 PolarHBondContact O-N 3.31Å; E153-N157 WeakPolarHBondContact O-CB 3.45Å; E153-N157 PolarHBondContact O-N 3.07Å; E153-N157 PolarHBondContact O-ND2 3.4Å
154	E	89.7	Confident	87.2	Confident	93 Å²	93	65.3 Å²	65.3	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-62.5	-37.2	175.9	-67.1	162.2	118.7	0	0	112.4	L150 T151 N157 R158	L150-E154 HydrophobicContact CD2-CB 4.13Å; T151-E154 VanDerWaalsContact CB-OE2 3.3Å; T151-E154 WeakPolarHBondContact CB-OE2 3.25Å; T151-E154 WeakPolarHBondContact CG2-OE2 3.5Å; T151-E154 PolarHBondContact N-OE2 3.43Å; T151-E154 PolarHBondContact O-N 2.96Å; T151-E154 VanDerWaalsContact OG1-CD 3.32Å; T151-E154 VanDerWaalsContact OG1-CG 3.29Å; T151-E154 WeakPolarHBondContact OG1-CG 3.35Å; T151-E154 PolarHBondContact OG1-N 3.03Å; T151-E154 PolarHBondContact OG1-OE2 3.06Å; E154-N157 PolarHBondContact O-N 3.05Å; E154-R158 WeakPolarHBondContact O-CG 3.36Å; E154-R158 PolarHBondContact O-N 3.15Å; E154-R158 VanDerWaalsContact O-N 3.15Å
155	F	92	Very high	87	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-66.8	-44.7	174.9	-173.8	-75.9	0	0	0	112	W122 Y140 L147 L150 T151 R152 E153 N157 R158 S159 L167 W168 L171	W122-F155 HydrophobicContact CH2-CE2 4.29Å; W122-F155 AromaticContact CH2-CZ 3.98Å; W122-F155 HydrophobicContact CH2-CZ 3.98Å; W122-F155 HydrophobicContact CZ3-CZ 4.48Å; Y140-F155 HydrophobicContact CE1-CD2 4.41Å; Y140-F155 HydrophobicContact CE1-CE1 4.35Å; Y140-F155 AromaticContact CE1-CE2 3.77Å; Y140-F155 HydrophobicContact CE1-CE2 3.77Å; Y140-F155 AromaticContact CE1-CZ 3.71Å; Y140-F155 HydrophobicContact CE1-CZ 3.71Å; L147-F155 HydrophobicContact CD1-CD2 4.33Å; L147-F155 HydrophobicContact CD1-CE2 3.92Å; L150-F155 HydrophobicContact CB-CB 4.44Å; L150-F155 HydrophobicContact CD1-CB 4.26Å; L150-F155 HydrophobicContact CD1-CD2 4.14Å; T151-F155 PolarHBondContact O-N 3.25Å; R152-F155 PolarHBondContact O-N 2.66Å; E153-F155 VanDerWaalsContact C-N 3.3Å; E153-F155 PolarHBondContact O-N 2.8Å; F155-N157 VanDerWaalsContact C-N 3.32Å; F155-N157 PolarHBondContact O-N 2.72Å; F155-R158 PolarHBondContact O-N 3.15Å; F155-S159 PolarHBondContact O-N 3.44Å; F155-S159 PolarHBondContact O-OG 3.29Å; F155-L167 HydrophobicContact CE1-CB 3.74Å; F155-L167 HydrophobicContact CZ-CB 3.71Å; F155-W168 HydrophobicContact CB-CE3 3.58Å; F155-W168 HydrophobicContact CB-CZ3 3.71Å; F155-W168 HydrophobicContact CD1-CB 4.1Å; F155-W168 AromaticContact CD1-CE3 3.82Å; F155-W168 HydrophobicContact CD1-CE3 3.82Å; F155-W168 AromaticContact CD2-CE3 3.79Å; F155-W168 HydrophobicContact CD2-CE3 3.79Å; F155-W168 HydrophobicContact CD2-CZ3 4.08Å; F155-W168 HydrophobicContact CE1-CB 4.1Å; F155-W168 HydrophobicContact CE1-CE3 4.49Å; F155-W168 HydrophobicContact CE2-CE3 4.44Å; F155-W168 AromaticContact CG-CE3 3.45Å; F155-W168 HydrophobicContact CG-CE3 3.45Å; F155-W168 VanDerWaalsContact CG-CE3 3.45Å; F155-W168 AromaticContact CG-CZ3 3.95Å; F155-W168 HydrophobicContact CG-CZ3 3.95Å; F155-L171 HydrophobicContact CD2-CD2 4.1Å; F155-L171 HydrophobicContact CE2-CD2 3.71Å
156	L	89.1	Confident	86.8	Confident	51 Å²	51	63 Å²	63	27%	0.267	32%	0.323	S	S	.	.	H	α-helix	trans	-63.7	-37.9	175.2	-71.9	178.9	0	0	0	111.3	R152 E153 R158 S159	R152-L156 HydrophobicContact CG-CD1 3.95Å; R152-L156 HydrophobicContact CG-CG 4.17Å; R152-L156 WeakPolarHBondContact O-CB 3.47Å; R152-L156 WeakPolarHBondContact O-CG 3.39Å; R152-L156 PolarHBondContact O-N 2.98Å; E153-L156 PolarHBondContact O-N 3.31Å; L156-R158 VanDerWaalsContact C-N 3.31Å; L156-R158 PolarHBondContact O-N 3.48Å; L156-S159 WeakPolarHBondContact O-CA 3.33Å; L156-S159 VanDerWaalsContact O-CB 3.27Å; L156-S159 WeakPolarHBondContact O-CB 3.29Å; L156-S159 PolarHBondContact O-N 3.41Å
157	N	87.3	Confident	86.8	Confident	124 Å²	124	58.6 Å²	58.6	66%	0.663	30%	0.302	S	S	*	.	H	α-helix	trans	-68.1	-25.3	177.1	-72.9	-25.9	0	0	0	113.6	E153 E154 F155 S159	E153-N157 WeakPolarHBondContact O-CB 3.45Å; E153-N157 PolarHBondContact O-N 3.07Å; E153-N157 PolarHBondContact O-ND2 3.4Å; E154-N157 PolarHBondContact O-N 3.05Å; F155-N157 VanDerWaalsContact C-N 3.32Å; F155-N157 PolarHBondContact O-N 2.72Å; N157-S159 VanDerWaalsContact C-N 3.3Å
158	R	87	Confident	86.7	Confident	82 Å²	82	60.4 Å²	60.4	31%	0.309	31%	0.309	S	S	.	.	H	α-helix	trans	-76.1	-18.1	169	-71.2	168.1	-174.2	-99.5	4.1	112.9	H139 E154 F155 L156	H139-R158 HydrophobicContact CB-CB 4.16Å; H139-R158 PolarHBondContact ND1-O 2.91Å; H139-R158 WeakPolarHBondContact O-CD 3.38Å; H139-R158 PolarHBondContact O-NH1 3.45Å; E154-R158 WeakPolarHBondContact O-CG 3.36Å; E154-R158 PolarHBondContact O-N 3.15Å; E154-R158 VanDerWaalsContact O-N 3.15Å; F155-R158 PolarHBondContact O-N 3.15Å; L156-R158 VanDerWaalsContact C-N 3.31Å; L156-R158 PolarHBondContact O-N 3.48Å
159	S	84	Confident	86.6	Confident	15 Å²	15	60.6 Å²	60.6	11%	0.105	31%	0.308	C	S	.	.	S	Bend	trans	-95.5	155.4	-172.2	-57.9	0	0	0	0	113.2	Y140 F155 L156 N157 G164	Y140-S159 PolarHBondContact OH-OG 3.12Å; F155-S159 PolarHBondContact O-N 3.44Å; F155-S159 PolarHBondContact O-OG 3.29Å; L156-S159 WeakPolarHBondContact O-CA 3.33Å; L156-S159 VanDerWaalsContact O-CB 3.27Å; L156-S159 WeakPolarHBondContact O-CB 3.29Å; L156-S159 PolarHBondContact O-N 3.41Å; N157-S159 VanDerWaalsContact C-N 3.3Å; S159-G164 VanDerWaalsContact OG-CA 3.23Å; S159-G164 WeakPolarHBondContact OG-CA 3.29Å
160	P	78.7	Confident	86.6	Confident	28 Å²	28	56.7 Å²	56.7	18%	0.182	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-61.5	147.9	157.8	-19.1	32.7	0	0	0	110.9	G134 V135 V163 G164	G134-P160 VanDerWaalsContact C-CG 3.47Å; G134-P160 VanDerWaalsContact O-CG 3.25Å; G134-P160 WeakPolarHBondContact O-CG 3.44Å; V135-P160 HydrophobicContact CG2-CG 4.19Å; P160-V163 HydrophobicContact CB-CB 4.14Å; P160-V163 HydrophobicContact CB-CG2 4.07Å; P160-V163 HydrophobicContact CG-CB 4.41Å; P160-V163 PolarHBondContact O-N 3.28Å; P160-G164 PolarHBondContact O-N 2.97Å
161	P	73.3	Confident	86.6	Confident	97 Å²	97	55.8 Å²	55.8	63%	0.63	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	143	174.3	-28.3	35.5	0	0	0	112.8	V163	P161-V163 PolarHBondContact O-N 3.49Å
162	F	73.3	Confident	86.6	Confident	145 Å²	145	54.4 Å²	54.4	64%	0.636	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	-25	-175.4	-40	-73.2	0	0	0	116	L76	L76-F162 HydrophobicContact CD1-CE1 3.94Å; L76-F162 HydrophobicContact CD1-CZ 4.02Å
163	V	82.9	Confident	86.5	Confident	19 Å²	19	49.8 Å²	49.8	12%	0.115	25%	0.251	C	S	.	.	H	α-helix	trans	-74.5	-39	178.3	175.7	0	0	0	0	111.3	L132 V135 P160 P161 D165 I166 L167	L132-V163 HydrophobicContact CB-CG1 4.09Å; L132-V163 HydrophobicContact CD1-CG1 3.77Å; L132-V163 HydrophobicContact CD2-CG1 3.92Å; L132-V163 HydrophobicContact CD2-CG2 4.42Å; L132-V163 HydrophobicContact CG-CG1 4.12Å; V135-V163 HydrophobicContact CG2-CG1 3.51Å; P160-V163 HydrophobicContact CB-CB 4.14Å; P160-V163 HydrophobicContact CB-CG2 4.07Å; P160-V163 HydrophobicContact CG-CB 4.41Å; P160-V163 PolarHBondContact O-N 3.28Å; P161-V163 PolarHBondContact O-N 3.49Å; V163-D165 VanDerWaalsContact C-N 3.26Å; V163-D165 PolarHBondContact O-N 3.22Å; V163-I166 PolarHBondContact O-N 3Å; V163-L167 HydrophobicContact CG1-CD1 4.05Å; V163-L167 HydrophobicContact CG1-CG 4.45Å; V163-L167 PolarHBondContact O-N 3.31Å
164	G	85.7	Confident	86.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-34.8	-179.4	0	0	0	0	0	113.8	S159 P160 I166 L167 W168	S159-G164 VanDerWaalsContact OG-CA 3.23Å; S159-G164 WeakPolarHBondContact OG-CA 3.29Å; P160-G164 PolarHBondContact O-N 2.97Å; G164-I166 VanDerWaalsContact C-N 3.35Å; G164-I166 PolarHBondContact O-N 3.44Å; G164-L167 PolarHBondContact O-N 3.33Å; G164-W168 VanDerWaalsContact O-CB 3.25Å; G164-W168 WeakPolarHBondContact O-CB 3.4Å; G164-W168 PolarHBondContact O-N 3.1Å
165	D	86	Confident	86.5	Confident	61 Å²	61	41.7 Å²	41.7	33%	0.326	21%	0.213	S	C	.	.	H	α-helix	trans	-65	-36.3	178.8	-67	-71.9	0	0	0	112.9	R152 V163 E169	R152-D165 IonicContact CZ-OD1 3.19Å; R152-D165 IonicContact NE-OD1 2.66Å; R152-D165 IonicContact NH2-OD1 3.4Å; R152-D165 PolarHBondContact NH2-OD1 3.44Å; V163-D165 VanDerWaalsContact C-N 3.26Å; V163-D165 PolarHBondContact O-N 3.22Å; D165-E169 PolarHBondContact O-N 2.78Å
166	I	87.5	Confident	86.1	Confident	39 Å²	39	46.8 Å²	46.8	20%	0.2	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-43.3	178.1	-60.7	170.3	0	0	0	110.5	L91 Y95 F130 L132 V163 G164 H170	L91-I166 HydrophobicContact CD1-CG1 4.38Å; L91-I166 HydrophobicContact CD2-CG1 4.43Å; L91-I166 HydrophobicContact CD2-CG2 3.98Å; Y95-I166 PolarHBondContact OH-O 3.35Å; F130-I166 HydrophobicContact CB-CG2 4.48Å; F130-I166 HydrophobicContact CD1-CG2 4.16Å; F130-I166 HydrophobicContact CD2-CG2 3.83Å; F130-I166 HydrophobicContact CE1-CG2 4.41Å; F130-I166 HydrophobicContact CE2-CG2 4.1Å; F130-I166 HydrophobicContact CG-CG2 3.88Å; F130-I166 HydrophobicContact CZ-CG2 4.4Å; L132-I166 HydrophobicContact CD2-CD1 4.11Å; V163-I166 PolarHBondContact O-N 3Å; G164-I166 VanDerWaalsContact C-N 3.35Å; G164-I166 PolarHBondContact O-N 3.44Å; I166-H170 PolarHBondContact O-N 2.74Å
167	L	91.3	Very high	85.8	Confident	2 Å²	2	48 Å²	48	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-69.8	-39.6	178.3	-63.8	174.4	0	0	0	111	W122 L123 A126 L132 Y140 F155 V163 G164 H170 L171	W122-L167 HydrophobicContact CH2-CB 4.13Å; W122-L167 HydrophobicContact CZ2-CB 4.48Å; W122-L167 WeakPolarHBondContact CZ2-O 3.31Å; L123-L167 HydrophobicContact CD2-CD1 4.03Å; L123-L167 HydrophobicContact CD2-CD2 4.31Å; A126-L167 HydrophobicContact CB-CD2 3.4Å; L132-L167 HydrophobicContact CD1-CD1 4.42Å; L132-L167 HydrophobicContact CD1-CD2 3.82Å; L132-L167 HydrophobicContact CD1-CG 4.16Å; Y140-L167 WeakPolarHBondContact OH-CD1 3.42Å; F155-L167 HydrophobicContact CE1-CB 3.74Å; F155-L167 HydrophobicContact CZ-CB 3.71Å; V163-L167 HydrophobicContact CG1-CD1 4.05Å; V163-L167 HydrophobicContact CG1-CG 4.45Å; V163-L167 PolarHBondContact O-N 3.31Å; G164-L167 PolarHBondContact O-N 3.33Å; L167-H170 PolarHBondContact O-N 3.14Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 PolarHBondContact O-N 2.82Å
168	W	90.6	Very high	85.4	Confident	38 Å²	38	43.6 Å²	43.6	14%	0.144	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-46.4	176.7	-177.1	-91.3	0	0	0	112.5	L150 R152 F155 G164 H170 L171 D172	L150-W168 WeakPolarHBondContact O-CH2 3.12Å; R152-W168 HydrophobicContact CB-CD2 4.06Å; R152-W168 HydrophobicContact CB-CE3 4.45Å; R152-W168 HydrophobicContact CB-CH2 4.1Å; R152-W168 HydrophobicContact CB-CZ2 3.69Å; R152-W168 HydrophobicContact CB-CZ3 4.46Å; R152-W168 HydrophobicContact CG-CD2 3.84Å; R152-W168 HydrophobicContact CG-CE3 4.49Å; R152-W168 HydrophobicContact CG-CG 3.98Å; R152-W168 HydrophobicContact CG-CZ2 4.32Å; F155-W168 HydrophobicContact CB-CE3 3.58Å; F155-W168 HydrophobicContact CB-CZ3 3.71Å; F155-W168 HydrophobicContact CD1-CB 4.1Å; F155-W168 AromaticContact CD1-CE3 3.82Å; F155-W168 HydrophobicContact CD1-CE3 3.82Å; F155-W168 AromaticContact CD2-CE3 3.79Å; F155-W168 HydrophobicContact CD2-CE3 3.79Å; F155-W168 HydrophobicContact CD2-CZ3 4.08Å; F155-W168 HydrophobicContact CE1-CB 4.1Å; F155-W168 HydrophobicContact CE1-CE3 4.49Å; F155-W168 HydrophobicContact CE2-CE3 4.44Å; F155-W168 AromaticContact CG-CE3 3.45Å; F155-W168 HydrophobicContact CG-CE3 3.45Å; F155-W168 VanDerWaalsContact CG-CE3 3.45Å; F155-W168 AromaticContact CG-CZ3 3.95Å; F155-W168 HydrophobicContact CG-CZ3 3.95Å; G164-W168 VanDerWaalsContact O-CB 3.25Å; G164-W168 WeakPolarHBondContact O-CB 3.4Å; G164-W168 PolarHBondContact O-N 3.1Å; W168-H170 VanDerWaalsContact C-N 3.26Å; W168-H170 PolarHBondContact O-N 2.76Å; W168-L171 PolarHBondContact O-N 2.95Å; W168-D172 WeakPolarHBondContact O-CB 3.04Å; W168-D172 PolarHBondContact O-N 3.18Å
169	E	89.1	Confident	84.5	Confident	25 Å²	25	46.6 Å²	46.6	12%	0.117	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-38.9	177.9	-174.6	-170.5	-158.1	0	0	111.1	L91 R92 Y95 D165 T173	L91-E169 WeakPolarHBondContact CD1-OE2 3.41Å; R92-E169 IonicContact CZ-OE1 2.69Å; R92-E169 IonicContact NE-OE1 3.82Å; R92-E169 PolarHBondContact NE-OE1 3.5Å; R92-E169 IonicContact NH2-OE1 3.66Å; R92-E169 PolarHBondContact NH2-OE1 3.05Å; Y95-E169 HydrophobicContact CE2-CB 4.44Å; Y95-E169 HydrophobicContact CE2-CG 4.08Å; Y95-E169 WeakPolarHBondContact OH-CB 3.43Å; Y95-E169 PolarHBondContact OH-OE2 3.1Å; D165-E169 PolarHBondContact O-N 2.78Å; E169-T173 VanDerWaalsContact O-CB 3.29Å; E169-T173 WeakPolarHBondContact O-CB 3.45Å; E169-T173 PolarHBondContact O-N 2.98Å; E169-T173 PolarHBondContact O-OG1 3.49Å
170	H	91.2	Very high	83.5	Confident	7 Å²	7	52.7 Å²	52.7	3%	0.032	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-46.1	175.7	-167.3	-167.6	0	0	0	112.2	Y95 F98 W122 W125 I166 L167 W168 T173 M174	Y95-H170 HydrophobicContact CD1-CB 3.78Å; Y95-H170 AromaticContact CD1-CD2 3.74Å; Y95-H170 AromaticContact CD1-CG 3.52Å; Y95-H170 AromaticContact CD1-ND1 3.84Å; Y95-H170 HydrophobicContact CD2-CB 4.32Å; Y95-H170 HydrophobicContact CE1-CB 3.52Å; Y95-H170 AromaticContact CE1-CG 3.82Å; Y95-H170 HydrophobicContact CE2-CB 4.12Å; Y95-H170 HydrophobicContact CG-CB 4.21Å; Y95-H170 AromaticContact CG-CD2 3.55Å; Y95-H170 AromaticContact CG-CG 3.82Å; F98-H170 AromaticContact CD1-CE1 3.63Å; F98-H170 AromaticContact CD1-NE2 3.86Å; F98-H170 AromaticContact CG-CE1 3.74Å; W122-H170 AromaticContact CD1-CE1 3.94Å; W122-H170 AromaticContact CD1-ND1 3.91Å; W122-H170 HydrophobicContact CZ2-CB 4.41Å; W122-H170 AromaticContact NE1-CE1 3.47Å; W122-H170 PolarHBondContact NE1-CE1 3.42Å; W122-H170 AromaticContact NE1-CG 3.86Å; W122-H170 AromaticContact NE1-ND1 3.05Å; W122-H170 PolarHBondContact NE1-ND1 3.16Å; W125-H170 AromaticContact CH2-CE1 3.57Å; W125-H170 AromaticContact CH2-ND1 3.77Å; W125-H170 AromaticContact CZ3-CE1 3.3Å; W125-H170 WeakPolarHBondContact CZ3-CE1 3.22Å; W125-H170 AromaticContact CZ3-ND1 3.27Å; W125-H170 VanDerWaalsContact CZ3-ND1 3.27Å; W125-H170 WeakPolarHBondContact CZ3-ND1 3.28Å; I166-H170 PolarHBondContact O-N 2.74Å; L167-H170 PolarHBondContact O-N 3.14Å; W168-H170 VanDerWaalsContact C-N 3.26Å; W168-H170 PolarHBondContact O-N 2.76Å; H170-T173 PolarHBondContact O-N 3.23Å; H170-M174 WeakPolarHBondContact O-CG 3.49Å; H170-M174 PolarHBondContact O-N 3.41Å
171	L	92	Very high	82.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-45.4	179.4	-177.5	63.5	0	0	0	111.9	P111 W122 L147 F155 L167 W168 T173 M174 Q175	P111-L171 HydrophobicContact CB-CD1 3.95Å; P111-L171 HydrophobicContact CG-CD1 4.14Å; W122-L171 HydrophobicContact CH2-CB 4.12Å; W122-L171 HydrophobicContact CZ2-CB 4.07Å; L147-L171 HydrophobicContact CD2-CD1 4.02Å; L147-L171 HydrophobicContact CD2-CD2 4.25Å; L147-L171 HydrophobicContact CG-CD1 4.47Å; L147-L171 HydrophobicContact CG-CD2 3.93Å; F155-L171 HydrophobicContact CD2-CD2 4.1Å; F155-L171 HydrophobicContact CE2-CD2 3.71Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 PolarHBondContact O-N 2.82Å; W168-L171 PolarHBondContact O-N 2.95Å; L171-T173 VanDerWaalsContact C-N 3.35Å; L171-M174 HydrophobicContact CD1-CE 4.3Å; L171-M174 PolarHBondContact O-N 3.21Å; L171-Q175 WeakPolarHBondContact O-CG 3.2Å; L171-Q175 PolarHBondContact O-N 3.44Å
172	D	89.8	Confident	80.6	Confident	44 Å²	44	56.5 Å²	56.5	24%	0.235	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-41.1	174	175.8	60.9	0	0	0	112	W168 Q175 K176	W168-D172 WeakPolarHBondContact O-CB 3.04Å; W168-D172 PolarHBondContact O-N 3.18Å; D172-Q175 PolarHBondContact O-N 3.36Å; D172-K176 WeakPolarHBondContact O-CB 3.38Å; D172-K176 VanDerWaalsContact O-CG 3.29Å; D172-K176 WeakPolarHBondContact O-CG 3.17Å; D172-K176 PolarHBondContact O-N 3.08Å; D172-K176 WeakPolarHBondContact OD1-CE 3.45Å; D172-K176 IonicContact OD1-NZ 3.79Å; D172-K176 PolarHBondContact OD1-NZ 3.07Å; D172-K176 IonicContact OD2-NZ 2.74Å; D172-K176 PolarHBondContact OD2-NZ 3.29Å
173	T	87.5	Confident	78.8	Confident	33 Å²	33	57.4 Å²	57.4	20%	0.202	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-49.9	174.6	-58.8	0	0	0	0	111.2	E169 H170 L171 Q175 K176 D177	E169-T173 VanDerWaalsContact O-CB 3.29Å; E169-T173 WeakPolarHBondContact O-CB 3.45Å; E169-T173 PolarHBondContact O-N 2.98Å; E169-T173 PolarHBondContact O-OG1 3.49Å; H170-T173 PolarHBondContact O-N 3.23Å; L171-T173 VanDerWaalsContact C-N 3.35Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 2.93Å; T173-K176 PolarHBondContact O-N 3.46Å; T173-D177 PolarHBondContact O-N 3.08Å
174	M	89.6	Confident	76.5	Confident	15 Å²	15	59.9 Å²	59.9	7%	0.074	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-37.7	178.9	-70.4	-177.6	-64.6	0	0	112.8	F98 P111 W114 W122 H170 L171 S178	F98-M174 HydrophobicContact CD1-SD 3.82Å; F98-M174 HydrophobicContact CE1-SD 3.68Å; P111-M174 HydrophobicContact CG-CB 4.24Å; W114-M174 HydrophobicContact CH2-CE 3.58Å; W114-M174 HydrophobicContact CH2-SD 3.69Å; W114-M174 HydrophobicContact CZ2-CE 4.32Å; W114-M174 HydrophobicContact CZ2-SD 3.92Å; W114-M174 HydrophobicContact CZ3-CE 4.3Å; W122-M174 HydrophobicContact CZ2-CE 4.25Å; H170-M174 WeakPolarHBondContact O-CG 3.49Å; H170-M174 PolarHBondContact O-N 3.41Å; L171-M174 HydrophobicContact CD1-CE 4.3Å; L171-M174 PolarHBondContact O-N 3.21Å; M174-S178 VanDerWaalsContact O-CB 3.29Å; M174-S178 WeakPolarHBondContact O-CB 3.32Å; M174-S178 PolarHBondContact O-N 3.37Å; M174-S178 PolarHBondContact O-OG 3.35Å
175	Q	88	Confident	74.1	Confident	50 Å²	50	69.5 Å²	69.5	23%	0.234	36%	0.359	C	S	.	.	H	α-helix	trans	-63.5	-46.8	173.1	-74.9	-173.1	80.4	0	0	111.3	P111 L171 D172 T173 D177 S178 L179	P111-Q175 HydrophobicContact CG-CG 3.76Å; L171-Q175 WeakPolarHBondContact O-CG 3.2Å; L171-Q175 PolarHBondContact O-N 3.44Å; D172-Q175 PolarHBondContact O-N 3.36Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 2.93Å; Q175-D177 PolarHBondContact O-N 3.15Å; Q175-S178 PolarHBondContact O-N 2.96Å; Q175-L179 WeakPolarHBondContact O-CG 3.16Å; Q175-L179 PolarHBondContact O-N 3.5Å
176	K	85	Confident	71.7	Confident	108 Å²	108	72.1 Å²	72.1	47%	0.47	38%	0.38	S	S	.	.	H	α-helix	trans	-64.2	-37.2	179	-76.6	167.9	-179.3	164.7	0	113.3	D172 T173 K180	D172-K176 WeakPolarHBondContact O-CB 3.38Å; D172-K176 VanDerWaalsContact O-CG 3.29Å; D172-K176 WeakPolarHBondContact O-CG 3.17Å; D172-K176 PolarHBondContact O-N 3.08Å; D172-K176 WeakPolarHBondContact OD1-CE 3.45Å; D172-K176 IonicContact OD1-NZ 3.79Å; D172-K176 PolarHBondContact OD1-NZ 3.07Å; D172-K176 IonicContact OD2-NZ 2.74Å; D172-K176 PolarHBondContact OD2-NZ 3.29Å; T173-K176 PolarHBondContact O-N 3.46Å; K176-K180 WeakPolarHBondContact O-CE 3.45Å; K176-K180 WeakPolarHBondContact O-CG 3.23Å
177	D	83	Confident	69.3	Low	77 Å²	77	76.5 Å²	76.5	41%	0.412	41%	0.408	S	S	.	.	H	α-helix	trans	-76.4	-30	177	-68.6	-25.3	0	0	0	112.1	T173 Q175 L179 K180	T173-D177 PolarHBondContact O-N 3.08Å; Q175-D177 PolarHBondContact O-N 3.15Å; D177-L179 PolarHBondContact O-N 3.45Å; D177-K180 PolarHBondContact O-N 3.21Å; D177-K180 VanDerWaalsContact O-N 3.14Å; D177-K180 WeakPolarHBondContact OD1-CE 3.33Å; D177-K180 IonicContact OD1-NZ 2.69Å; D177-K180 PolarHBondContact OD1-NZ 3.37Å
178	S	79	Confident	66.5	Low	30 Å²	30	83.7 Å²	83.7	21%	0.21	45%	0.447	C	S	.	.	H	α-helix	trans	-66.7	-22.4	172.9	-61.3	0	0	0	0	114	N110 M174 Q175	N110-S178 VanDerWaalsContact CA-OG 3.27Å; N110-S178 WeakPolarHBondContact CA-OG 3.49Å; N110-S178 WeakPolarHBondContact CB-OG 3.45Å; M174-S178 VanDerWaalsContact O-CB 3.29Å; M174-S178 WeakPolarHBondContact O-CB 3.32Å; M174-S178 PolarHBondContact O-N 3.37Å; M174-S178 PolarHBondContact O-OG 3.35Å; Q175-S178 PolarHBondContact O-N 2.96Å
179	L	66.8	Low	63.7	Low	145 Å²	145	90.4 Å²	90.4	76%	0.759	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-6	175.3	-67.1	171.1	0	0	0	113.2	Q175 D177	Q175-L179 WeakPolarHBondContact O-CG 3.16Å; Q175-L179 PolarHBondContact O-N 3.5Å; D177-L179 PolarHBondContact O-N 3.45Å
180	K	62.8	Low	61.3	Low	143 Å²	143	93.3 Å²	93.3	62%	0.622	50%	0.501	S	S	*	.	S	Bend	trans	-95.3	0.3	-179.8	-67.6	171.1	-163.6	165.4	0	114.3	K176 D177 P182	K176-K180 WeakPolarHBondContact O-CE 3.45Å; K176-K180 WeakPolarHBondContact O-CG 3.23Å; D177-K180 PolarHBondContact O-N 3.21Å; D177-K180 VanDerWaalsContact O-N 3.14Å; D177-K180 WeakPolarHBondContact OD1-CE 3.33Å; D177-K180 IonicContact OD1-NZ 2.69Å; D177-K180 PolarHBondContact OD1-NZ 3.37Å; K180-P182 VanDerWaalsContact O-CD 3.26Å; K180-P182 WeakPolarHBondContact O-CD 3.38Å
181	E	48.9	Very low	58.7	Low	114 Å²	114	103 Å²	103	53%	0.533	54%	0.539	S	S	.	.			trans	-114.7	68.8	177.5	-65.6	-166.7	-176.6	0	0	113	K109	K109-E181 IonicContact NZ-OE1 2.79Å; K109-E181 PolarHBondContact NZ-OE1 2.94Å; K109-E181 IonicContact NZ-OE2 2.71Å; K109-E181 PolarHBondContact NZ-OE2 2.8Å
182	P	42.6	Very low	56.1	Low	91 Å²	91	113.5 Å²	113.5	59%	0.591	59%	0.585	S	S	*	*			trans	-67.2	156.3	142	33.8	-29.4	0	0	0	109.8	K180	K180-P182 VanDerWaalsContact O-CD 3.26Å; K180-P182 WeakPolarHBondContact O-CD 3.38Å
183	D	35.8	Very low	53.5	Low	164 Å²	164	122 Å²	122	88%	0.877	61%	0.613	S	S	*	*	S	Bend	trans	65	51.4	160	-47.9	-23.2	0	0	0	118.4
184	A	34.9	Very low	51	Low	72 Å²	72	131 Å²	131	60%	0.595	65%	0.65	S	S	*	*			trans	-129.9	4.9	174.2	0	0	0	0	0	116.9
185	F	34.7	Very low	48.5	Very low	202 Å²	202	134 Å²	134	89%	0.886	69%	0.686	S	S	*	*			trans	-149.4	140.4	170	-90.9	-89.9	0	0	0	107.9
186	C	34.8	Very low	46	Very low	116 Å²	116	135.5 Å²	135.5	78%	0.784	71%	0.714	S	S	*	*			cis	-126.8	153.7	10.2	-63.3	0	0	0	0	112.5
187	V	37.7	Very low	43.7	Very low	130 Å²	130	133.6 Å²	133.6	79%	0.788	73%	0.725	S	S	*	*			trans	-100	135.7	158.6	-101.8	0	0	0	0	110
188	N	32.6	Very low	41.4	Very low	153 Å²	153	135.5 Å²	135.5	82%	0.818	74%	0.739	S	S	*	*			trans	63.6	96.4	166.8	-54	-40.8	0	0	0	118.3
189	E	32.9	Very low	39.2	Very low	179 Å²	179	140.3 Å²	140.3	84%	0.836	77%	0.772	S	S	*	*			trans	-151.8	124.7	134.2	-112.8	-59	116.4	0	0	108.4
190	P	36.8	Very low	38	Very low	86 Å²	86	143.3 Å²	143.3	56%	0.558	77%	0.774	S	S	*	*			trans	-87.9	169	175.9	34.8	-32.2	0	0	0	112.3
191	Y	37.2	Very low	36.7	Very low	212 Å²	212	144.5 Å²	144.5	83%	0.831	79%	0.787	S	S	*	*			trans	69.5	93.3	-177.3	-60.7	-97.9	0	0	0	116.4
192	F	37.3	Very low	36.3	Very low	219 Å²	219	146.2 Å²	146.2	96%	0.961	80%	0.8	S	S	*	*				-148	152.5	104.6	-106.4	-75.2	0	0	0	110
193	R	34.9	Very low	36	Very low	222 Å²	222	149.8 Å²	149.8	84%	0.838	81%	0.814	S	S	*	*			trans	-135.9	91.2	-153.6	-174.3	-158.6	-160.4	174.5	8.1	113.8
194	F	36.8	Very low	36.4	Very low	222 Å²	222	146.7 Å²	146.7	97%	0.974	81%	0.811	S	S	*	*			trans	-160.7	122.6	159.1	-87.5	-75.2	0	0	0	108.6
195	G	36.3	Very low	36.7	Very low	80 Å²	80	147.2 Å²	147.2	83%	0.825	82%	0.824	S	S	*	*			cis	176.4	146.3	-12.5	0	0	0	0	0	112.2
196	G	35.1	Very low	36.9	Very low	81 Å²	81	141.6 Å²	141.6	84%	0.835	82%	0.822	S	S	*	*			trans	125.1	134.9	170	0	0	0	0	0	116
197	G	36	Very low	37.1	Very low	67 Å²	67	140.1 Å²	140.1	69%	0.691	83%	0.827	S	S	*	*			trans	72.3	43	156.8	0	0	0	0	0	118.8
198	T	35.4	Very low	37	Very low	117 Å²	117	137.7 Å²	137.7	72%	0.718	83%	0.828	S	S	*	*				43.1	105.2	102.2	63.6	0	0	0	0	117.3	Y200	T198-Y200 HydrophobicContact CG2-CE2 4.34Å
199	C	33	Very low	37.3	Very low	132 Å²	132	134.3 Å²	134.3	89%	0.892	83%	0.83	S	S	*	*			trans	-127.3	137.1	140.8	58.4	0	0	0	0	108.2
200	Y	40.9	Very low	37.4	Very low	207 Å²	207	129.4 Å²	129.4	81%	0.812	83%	0.827	S	S	*	*			trans	-108.6	124.9	179.9	-79.7	-89	0	0	0	109.7	T198	T198-Y200 HydrophobicContact CG2-CE2 4.34Å
201	L	36.7	Very low	37.7	Very low	169 Å²	169	136.1 Å²	136.1	89%	0.885	84%	0.843	S	S	*	*			trans	-75.8	140.3	157.3	-91.6	162.6	0	0	0	109.1
202	N	39.1	Very low	37.5	Very low	149 Å²	149	134.9 Å²	134.9	80%	0.797	85%	0.845	S	S	*	*			trans	-139.8	133.2	158.1	-91.1	-30.3	0	0	0	107.1
203	D	36.8	Very low	37.7	Very low	166 Å²	166	129.9 Å²	129.9	89%	0.888	84%	0.835	S	S	*	*			trans	-62.3	141.1	173	-68.1	-93.8	0	0	0	112.3
204	A	45.6	Very low	37.8	Very low	99 Å²	99	127.1 Å²	127.1	82%	0.818	84%	0.837	S	S	*	*				172.3	121.1	114.3	0	0	0	0	0	113.3
205	G	40.5	Very low	38	Very low	84 Å²	84	120.3 Å²	120.3	87%	0.866	83%	0.829	S	S	*	*			trans	74	112.4	136.3	0	0	0	0	0	121.3
206	G	38.4	Very low	38.3	Very low	83 Å²	83	126.3 Å²	126.3	86%	0.856	83%	0.833	S	S	*	*				106.1	107	124.2	0	0	0	0	0	119.4
207	G	38.6	Very low	38.4	Very low	86 Å²	86	126.7 Å²	126.7	89%	0.887	84%	0.837	S	S	*	*			trans	78.8	161.7	161.5	0	0	0	0	0	116.1
208	G	37.2	Very low	38.4	Very low	78 Å²	78	127.2 Å²	127.2	80%	0.804	84%	0.842	S	S	*	*			cis	164.7	96.2	-6.3	0	0	0	0	0	113
209	G	38	Very low	38.6	Very low	83 Å²	83	127.4 Å²	127.4	86%	0.856	85%	0.848	S	S	*	*			trans	81.6	156	-178.1	0	0	0	0	0	114
210	G	35	Very low	39.3	Very low	75 Å²	75	127.1 Å²	127.1	77%	0.773	84%	0.844	S	S	*	*			cis	128	76.4	-10.4	0	0	0	0	0	115.3
211	Y	43.5	Very low	39.2	Very low	227 Å²	227	122.2 Å²	122.2	89%	0.89	85%	0.847	S	S	*	*			trans	-158.3	160.1	151.9	55.4	-92.7	0	0	0	111
212	E	32.4	Very low	39.3	Very low	187 Å²	187	119.1 Å²	119.1	87%	0.874	85%	0.846	S	S	*	*			trans	-142.6	136.2	-167.4	175	-175.1	101.7	0	0	108.8
213	C	40.9	Very low	39.4	Very low	113 Å²	113	117.6 Å²	117.6	76%	0.764	85%	0.846	S	S	*	*			trans	-167.8	139.4	165.5	56.5	0	0	0	0	113.9
214	D	37.8	Very low	39.8	Very low	165 Å²	165	113.7 Å²	113.7	88%	0.882	83%	0.832	S	S	*	*			trans	-62.6	162.9	174	-67.2	-103.2	0	0	0	116
215	G	41.5	Very low	39.7	Very low	78 Å²	78	118.9 Å²	118.9	80%	0.804	83%	0.832	S	S	*	*			trans	-162	37.7	-178.1	0	0	0	0	0	119
216	K	43	Very low	40	Very low	207 Å²	207	122 Å²	122	90%	0.9	83%	0.829	S	S	*	*			trans	10.2	117	166.1	-70.2	179.8	175.1	176.3	0	120.4
217	G	35.9	Very low	39.9	Very low	89 Å²	89	125.1 Å²	125.1	92%	0.918	83%	0.826	S	S	*	*				89.1	140	120.5	0	0	0	0	0	120.1
218	G	37	Very low	40.4	Very low	77 Å²	77	125.6 Å²	125.6	79%	0.794	81%	0.814	S	S	*	*			trans	158.4	108.6	169.5	0	0	0	0	0	114.3
219	S	38	Very low	40.5	Very low	121 Å²	121	130.4 Å²	130.4	85%	0.846	82%	0.815	S	S	*	*			trans	-160.6	160.6	171.4	-85.5	0	0	0	0	108.8
220	P	48.1	Very low	40.6	Very low	126 Å²	126	131.1 Å²	131.1	82%	0.818	81%	0.807	S	S	*	*			cis	-127.5	179.8	-24.3	38.9	-23.7	0	0	0	112.3
221	A	39.4	Very low	41	Very low	105 Å²	105	134.8 Å²	134.8	87%	0.868	81%	0.814	S	S	*	*			trans	-152	157.3	163	0	0	0	0	0	110.3
222	A	38.1	Very low	40.8	Very low	104 Å²	104	128.8 Å²	128.8	86%	0.86	81%	0.805	S	S	*	*			trans	-140.6	148	-169.3	0	0	0	0	0	114.4
223	S	42.8	Very low	41.1	Very low	116 Å²	116	126.5 Å²	126.5	81%	0.811	80%	0.799	S	S	*	*			trans	-172.9	152.7	167	51.2	0	0	0	0	109.9
224	S	45.3	Very low	41.2	Very low	84 Å²	84	126.6 Å²	126.6	59%	0.587	80%	0.801	S	S	*	*			cis	179.5	150.1	-21.5	52.5	0	0	0	0	109.7
225	Y	42.2	Very low	41.2	Very low	209 Å²	209	122.9 Å²	122.9	82%	0.82	79%	0.788	S	S	*	*			trans	68.5	149.4	165.9	-60.2	-65.9	0	0	0	116.6
226	D	47	Very low	41.3	Very low	148 Å²	148	125 Å²	125	79%	0.791	79%	0.791	S	S	*	*			cis	-145.9	165.1	5.2	-103.6	-37	0	0	0	112.8
227	D	36.2	Very low	40.8	Very low	149 Å²	149	121.8 Å²	121.8	80%	0.797	78%	0.783	S	S	*	*			trans	-157.1	176.7	176.5	-132.3	-37.6	0	0	0	106
228	P	48.6	Very low	40.7	Very low	97 Å²	97	125.4 Å²	125.4	63%	0.63	78%	0.78	S	S	*	*			cis	-140.7	-157.5	-5.6	33.1	-6.7	0	0	0	115.1
229	Q	39.4	Very low	40.4	Very low	179 Å²	179	130.9 Å²	130.9	84%	0.836	79%	0.785	S	S	*	*			trans	85.3	147.2	162.9	-56	-172.1	-9.5	0	0	118.2
230	S	40.6	Very low	40.1	Very low	97 Å²	97	133.2 Å²	133.2	68%	0.678	79%	0.786	S	S	*	*			cis	-171.1	150.2	-20.9	54.3	0	0	0	0	111.2
231	V	42.5	Very low	39.3	Very low	152 Å²	152	131.2 Å²	131.2	92%	0.921	78%	0.78	S	S	*	*			trans	-173.1	157.2	143.9	-96.8	0	0	0	0	111
232	S	39.7	Very low	38.7	Very low	101 Å²	101	132.5 Å²	132.5	71%	0.706	78%	0.778	S	S	*	*			trans	-97.5	-177.2	176.5	66.3	0	0	0	0	111.8
233	D	39	Very low	38.5	Very low	140 Å²	140	131.7 Å²	131.7	75%	0.749	77%	0.771	S	S	*	*			cis	-163.3	177.9	19.2	-138.5	-51.7	0	0	0	113.7
234	S	42.3	Very low	37.8	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	77%	0.772	S	S	*	*			trans	78	136.1	164.4	-56.2	0	0	0	0	120
235	S	39	Very low	37.5	Very low	86 Å²	86	139.1 Å²	139.1	60%	0.601	78%	0.779	S	S	*	*			trans	-122.4	162.8	-175.1	-170.9	0	0	0	0	113.2	D237	S235-D237 PolarHBondContact OG-N 3.47Å; S235-D237 PolarHBondContact OG-OD1 2.85Å
236	S	43	Very low	36.8	Very low	124 Å²	124	136.5 Å²	136.5	87%	0.867	78%	0.779	S	S	*	*			trans	-152.4	53.7	154.2	-80.3	0	0	0	0	111
237	D	32.8	Very low	36.3	Very low	139 Å²	139	138.4 Å²	138.4	74%	0.743	78%	0.783	S	S	*	*			trans	19.7	105.8	158.3	-52.4	-33.4	0	0	0	120.3	S235	S235-D237 PolarHBondContact OG-N 3.47Å; S235-D237 PolarHBondContact OG-OD1 2.85Å
238	L	33.5	Very low	36.3	Very low	164 Å²	164	136.3 Å²	136.3	86%	0.859	78%	0.781	S	S	*	*			trans	-155.9	85.9	150.3	-162	84.9	0	0	0	111.9
239	H	30.2	Very low	35.5	Very low	192 Å²	192	139.1 Å²	139.1	89%	0.889	79%	0.788	S	S	*	*			trans	-170.5	108.7	161.3	-98.9	102.2	0	0	0	112
240	I	32.3	Very low	35.4	Very low	170 Å²	170	138 Å²	138	87%	0.872	79%	0.787	S	S	*	*			trans	-138.3	93.7	156.7	-59.7	-177.5	0	0	0	105.5
241	A	30.8	Very low	34.9	Very low	84 Å²	84	140.9 Å²	140.9	69%	0.694	79%	0.789	S	S	*	*				79.8	110.1	70.4	0	0	0	0	0	112.9	A243	A241-A243 PolarHBondContact O-N 3.27Å
242	T	27.8	Very low	34.7	Very low	133 Å²	133	138.1 Å²	138.1	82%	0.816	78%	0.782	S	S	*	*			trans	-64	118.7	-179.1	-53.6	0	0	0	0	112.1	Y244	T242-Y244 HydrophobicContact CG2-CD2 4.38Å
243	A	33.1	Very low	34.4	Very low	87 Å²	87	138.3 Å²	138.3	72%	0.719	78%	0.784	S	S	*	*			trans	-99.3	99.4	170.8	0	0	0	0	0	110.9	A241	A241-A243 PolarHBondContact O-N 3.27Å
244	Y	28.1	Very low	34.5	Very low	213 Å²	213	137.3 Å²	137.3	84%	0.835	79%	0.785	S	S	*	*			trans	-70.8	127.1	159.9	-105.1	-96.9	0	0	0	108.8	T242	T242-Y244 HydrophobicContact CG2-CD2 4.38Å
245	I	38.4	Very low	34.5	Very low	143 Å²	143	139.9 Å²	139.9	73%	0.733	79%	0.789	S	S	*	*			trans	-127.4	115.3	164.3	-61	-178.5	0	0	0	107.8
246	N	28.8	Very low	34.4	Very low	153 Å²	153	144.4 Å²	144.4	82%	0.818	80%	0.801	S	S	*	*			trans	-73	126.7	163.7	-72.2	-32.6	0	0	0	108.2
247	E	36.1	Very low	34.1	Very low	188 Å²	188	142.1 Å²	142.1	88%	0.879	80%	0.797	S	S	*	*			trans	-108.1	144.9	152	-78.7	-140.8	101.1	0	0	109.9
248	S	36.4	Very low	34.3	Very low	106 Å²	106	139 Å²	139	74%	0.741	79%	0.791	S	S	*	*			trans	-95.1	147.8	-157.5	38.6	0	0	0	0	113.9	I250	S248-I250 PolarHBondContact O-N 3.36Å
249	I	31.7	Very low	34.4	Very low	155 Å²	155	142.4 Å²	142.4	80%	0.795	79%	0.794	S	S	*	*			trans	-61.9	118.2	170.4	-61.8	165.6	0	0	0	108.9
250	I	36.7	Very low	34.8	Very low	156 Å²	156	136.6 Å²	136.6	80%	0.8	79%	0.786	S	S	*	*			trans	-99.8	107.2	162.8	-63.4	-175	0	0	0	108.6	S248	S248-I250 PolarHBondContact O-N 3.36Å
251	H	31.4	Very low	35.2	Very low	158 Å²	158	137.7 Å²	137.7	73%	0.731	79%	0.787	S	S	*	*			trans	-73	133	171.8	-120.6	-103.5	0	0	0	110.2
252	A	37.4	Very low	35.6	Very low	94 Å²	94	137.5 Å²	137.5	78%	0.777	79%	0.786	S	S	*	*			trans	-121.6	115.1	164	0	0	0	0	0	108.4
253	S	34.2	Very low	36.1	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	78%	0.782	S	S	*	*			trans	-73.8	145.5	-167.6	-61.2	0	0	0	0	113.7
254	P	39.7	Very low	36.6	Very low	118 Å²	118	138.5 Å²	138.5	77%	0.766	78%	0.782	S	S	*	*			trans	-71	147.8	164	32.6	-34.2	0	0	0	110
255	N	42.1	Very low	37.3	Very low	169 Å²	169	133.6 Å²	133.6	90%	0.904	78%	0.779	S	S	*	*			trans	-113.7	142.1	168.7	-158.8	1.3	0	0	0	109.7
256	Q	38	Very low	37.5	Very low	181 Å²	181	131.9 Å²	131.9	85%	0.846	79%	0.785	S	S	*	*			trans	-109.5	153.2	-166.6	-66.6	-173.4	2.4	0	0	113.7
257	G	36.7	Very low	38	Very low	76 Å²	76	128 Å²	128	78%	0.784	78%	0.782	S	S	*	*			trans	118.2	157.3	153.4	0	0	0	0	0	115.7
258	A	37.8	Very low	38.5	Very low	75 Å²	75	125 Å²	125	62%	0.62	78%	0.779	S	S	*	*			cis	-165.7	155.5	-17	0	0	0	0	0	109.7
259	Y	35.5	Very low	38.5	Very low	235 Å²	235	127.7 Å²	127.7	92%	0.922	78%	0.781	S	S	*	*			trans	65.2	145.6	176	-49.9	-83.5	0	0	0	115.7
260	G	37.9	Very low	38.8	Very low	69 Å²	69	129.4 Å²	129.4	71%	0.711	79%	0.786	S	S	*	*			cis	-169.5	174.5	-3.3	0	0	0	0	0	114.5
261	Q	39.6	Very low	38.7	Very low	194 Å²	194	130.3 Å²	130.3	91%	0.907	79%	0.787	S	S	*	*			trans	-37.6	154.4	168.9	-79	156.9	-60.1	0	0	116.1
262	A	40.4	Very low	39.1	Very low	80 Å²	80	128.5 Å²	128.5	66%	0.661	79%	0.787	S	S	*	*			cis	-158	-150.8	-3.4	0	0	0	0	0	108.8
263	D	39	Very low	39.1	Very low	140 Å²	140	132.3 Å²	132.3	75%	0.749	79%	0.786	S	S	*	*			cis	-163.8	-178.5	8.4	-142.7	-57.5	0	0	0	112
264	S	43.5	Very low	39.3	Very low	100 Å²	100	134 Å²	134	70%	0.699	79%	0.787	S	S	*	*			trans	5.5	143.1	147.3	-68.8	0	0	0	0	119.9
265	S	41.9	Very low	39.1	Very low	111 Å²	111	136.4 Å²	136.4	78%	0.776	79%	0.79	S	S	*	*			cis	-169.3	173.4	9.5	49.7	0	0	0	0	111.4
266	A	41.9	Very low	38.8	Very low	106 Å²	106	134.5 Å²	134.5	88%	0.876	79%	0.785	S	S	*	*			trans	28.6	140	157.8	0	0	0	0	0	120.7
267	G	40.4	Very low	38.7	Very low	72 Å²	72	133.2 Å²	133.2	74%	0.742	78%	0.784	S	S	*	*			cis	174.4	-175.4	23.1	0	0	0	0	0	109.7
268	P	45.7	Very low	38.6	Very low	126 Å²	126	133.2 Å²	133.2	82%	0.818	78%	0.776	S	S	*	*			trans	-108.4	158.6	-146.4	38.9	-36.6	0	0	0	118.3
269	M	36.4	Very low	38.5	Very low	161 Å²	161	134.5 Å²	134.5	79%	0.793	78%	0.781	S	S	*	*			trans	63.7	101.4	142.7	-168.6	176.9	79.5	0	0	119.5
270	Q	39.4	Very low	38.6	Very low	191 Å²	191	128.6 Å²	128.6	89%	0.893	77%	0.769	S	S	*	*				-159.2	159.2	123	-114.8	153.5	94.3	0	0	115.9
271	Q	34.8	Very low	38.6	Very low	176 Å²	176	134.3 Å²	134.3	82%	0.822	77%	0.774	S	S	*	*			trans	-84.5	133.2	-169.3	169.4	-171.6	49.1	0	0	112.4
272	T	39.1	Very low	38.5	Very low	120 Å²	120	130.2 Å²	130.2	74%	0.736	77%	0.766	S	S	*	*			trans	-178.8	145.9	133.3	20.8	0	0	0	0	115.2
273	K	38.1	Very low	38.5	Very low	174 Å²	174	135.8 Å²	135.8	76%	0.757	78%	0.776	S	S	*	*			trans	60.5	111.9	144.2	-71.4	175.2	-179.8	174.3	0	122.1
274	N	37.1	Very low	38.5	Very low	141 Å²	141	139.9 Å²	139.9	75%	0.754	78%	0.781	S	S	*	*				90.3	152.2	129.3	-59	0.3	0	0	0	120.4
275	M	35.4	Very low	39.1	Very low	167 Å²	167	140 Å²	140	82%	0.823	78%	0.779	S	S	*	*			trans	65.9	93.4	165.1	-72.2	166.3	67.3	0	0	116.1
276	T	37.3	Very low	39.6	Very low	130 Å²	130	140.4 Å²	140.4	80%	0.798	78%	0.779	S	S	*	*				74.8	103.8	85.3	57.3	0	0	0	0	114.8
277	D	34.1	Very low	39.7	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	78%	0.778	S	S	*	*			trans	-139.1	152.2	130.6	-172.3	24.7	0	0	0	109.3
278	A	35.3	Very low	40.5	Very low	75 Å²	75	143.2 Å²	143.2	62%	0.62	78%	0.781	S	S	*	*			trans	-149.6	93.8	178.8	0	0	0	0	0	109.2	V280	A278-V280 HydrophobicContact CB-CG2 4.45Å; A278-V280 PolarHBondContact O-N 3.05Å
279	S	36.3	Very low	41.4	Very low	103 Å²	103	142.2 Å²	142.2	72%	0.72	78%	0.775	S	S	*	*			trans	-72.9	62.9	-177.7	45.8	0	0	0	0	113.4	F281	S279-F281 PolarHBondContact O-N 2.96Å
280	V	38	Very low	42.3	Very low	110 Å²	110	140.5 Å²	140.5	67%	0.667	78%	0.776	S	S	*	*			trans	-79.6	107	176.1	-174.7	0	0	0	0	110	A278 C282	A278-V280 HydrophobicContact CB-CG2 4.45Å; A278-V280 PolarHBondContact O-N 3.05Å; V280-C282 VanDerWaalsContact C-N 3.31Å; V280-C282 PolarHBondContact O-N 3.1Å
281	F	37.6	Very low	43.1	Very low	189 Å²	189	140.1 Å²	140.1	83%	0.829	78%	0.776	S	S	*	*			trans	-71.3	82	170.4	-83.5	-88.5	0	0	0	111.6	S279 F283	S279-F281 PolarHBondContact O-N 2.96Å; F281-F283 PolarHBondContact O-N 2.83Å
282	C	36.5	Very low	44	Very low	108 Å²	108	137.7 Å²	137.7	73%	0.73	78%	0.776	S	S	*	*			trans	-77	93.3	170.8	-76.4	0	0	0	0	111.4	V280 R284	V280-C282 VanDerWaalsContact C-N 3.31Å; V280-C282 PolarHBondContact O-N 3.1Å; C282-R284 PolarHBondContact O-N 3.45Å
283	F	39.9	Very low	44.1	Very low	198 Å²	198	136.5 Å²	136.5	87%	0.868	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-66.9	119.6	162.3	-104.7	-87.5	0	0	0	109.9	F281	F281-F283 PolarHBondContact O-N 2.83Å
284	R	40.4	Very low	44.5	Very low	225 Å²	225	137.4 Å²	137.4	85%	0.849	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-99	116.5	-178	168.7	177.7	166.1	179.9	-5	110	C282	C282-R284 PolarHBondContact O-N 3.45Å
285	P	55	Low	44.8	Very low	103 Å²	103	137.5 Å²	137.5	67%	0.669	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63	146.6	168.8	-20.9	33.5	0	0	0	111.4
286	P	52.2	Low	44.9	Very low	120 Å²	120	134 Å²	134	78%	0.779	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-68.8	149.4	170.9	30.1	-34.2	0	0	0	110.9
287	A	44	Very low	45	Very low	103 Å²	103	132.6 Å²	132.6	85%	0.851	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-82.2	138.1	178.9	0	0	0	0	0	111.3
288	V	58.8	Low	45.2	Very low	133 Å²	133	131.5 Å²	131.5	81%	0.806	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-101.2	129.7	173.8	-172.3	0	0	0	0	108.6
289	P	64.3	Low	45.7	Very low	106 Å²	106	133.2 Å²	133.2	69%	0.688	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-73.8	151.4	179	30.5	-35	0	0	0	112.1
290	P	53.9	Low	45.8	Very low	125 Å²	125	134 Å²	134	81%	0.812	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-76.7	140.1	178.6	31.7	-34.5	0	0	0	111.9
291	M	57.3	Low	46	Very low	183 Å²	183	134.5 Å²	134.5	90%	0.901	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-83.9	144.9	165.2	-78.5	-169	165.3	0	0	111.2
292	P	54.1	Low	46.2	Very low	125 Å²	125	129.9 Å²	129.9	81%	0.812	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76.9	147.8	-179.9	32.2	-35.2	0	0	0	112
293	A	39.7	Very low	46.7	Very low	94 Å²	94	130.9 Å²	130.9	78%	0.777	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-80.6	146.2	171	0	0	0	0	0	111.6
294	M	47.4	Very low	46.6	Very low	194 Å²	194	125.1 Å²	125.1	96%	0.956	80%	0.803	S	S	*	*			trans	-124.7	157.9	157.4	-84.1	-158.1	164.2	0	0	110.5
295	V	43.9	Very low	46.5	Very low	143 Å²	143	118.8 Å²	118.8	87%	0.867	80%	0.799	S	S	*	*			trans	-107.5	155	-152	179.1	0	0	0	0	112.2
296	A	36.4	Very low	45.6	Very low	92 Å²	92	122.9 Å²	122.9	76%	0.76	81%	0.809	S	S	*	*			trans	-62.2	151.3	-169.5	0	0	0	0	0	116.4
297	A	40.2	Very low	45	Very low	102 Å²	102	123.3 Å²	123.3	84%	0.843	81%	0.809	S	S	*	*			trans	-149	137.7	143.5	0	0	0	0	0	110.3
298	T	37.7	Very low	44.7	Very low	131 Å²	131	123.5 Å²	123.5	80%	0.804	80%	0.804	S	S	*	*			trans	-151	171.8	178.4	55.8	0	0	0	0	107.8
299	P	46.9	Very low	44.3	Very low	111 Å²	111	122.2 Å²	122.2	72%	0.721	80%	0.799	S	S	*	*			cis	-132.5	-161.3	-7.8	22.5	4.1	0	0	0	112.7
300	T	38.6	Very low	43	Very low	120 Å²	120	125.7 Å²	125.7	74%	0.736	81%	0.806	S	S	*	*			trans	112.1	130.1	134.8	-58.9	0	0	0	0	120.1
301	S	41.6	Very low	42.3	Very low	119 Å²	119	124.9 Å²	124.9	83%	0.832	80%	0.803	S	S	*	*			trans	80	146.8	161.4	-71.6	0	0	0	0	121.5
302	A	40.7	Very low	41.1	Very low	92 Å²	92	123.2 Å²	123.2	76%	0.76	80%	0.798	S	S	*	*			trans	-149.6	-161.2	180	0	0	0	0	0	107.2
303	P	47.5	Very low	40.4	Very low	129 Å²	129	125.7 Å²	125.7	84%	0.838	80%	0.803	S	S	*	*			cis	-134.1	178.2	-17	39.7	-22.5	0	0	0	115.1
304	G	38.8	Very low	40.2	Very low	77 Å²	77	129.9 Å²	129.9	79%	0.794	81%	0.807	S	S	*	*			trans	103	163.4	155	0	0	0	0	0	118
305	A	37.3	Very low	40.3	Very low	93 Å²	93	125.5 Å²	125.5	77%	0.769	79%	0.793	S	S	*	*			cis	-165.8	135.9	-15.8	0	0	0	0	0	113.2
306	Q	37	Very low	39.9	Very low	188 Å²	188	125.9 Å²	125.9	88%	0.879	79%	0.789	S	S	*	*			trans	61.6	172.4	168.4	-52.9	-156.8	-27.5	0	0	116.1
307	V	39.6	Very low	40.2	Very low	129 Å²	129	129.3 Å²	129.3	78%	0.782	79%	0.789	S	S	*	*			cis	-139.4	167.7	12.2	-166	0	0	0	0	110.4
308	S	37.7	Very low	40	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	79%	0.786	S	S	*	*			trans	-127.3	-151	177	-44.9	0	0	0	0	109.7
309	P	49.4	Very low	40	Very low	106 Å²	106	131.8 Å²	131.8	69%	0.688	79%	0.787	S	S	*	*			cis	-138.4	-160.9	-18	28.3	-1.8	0	0	0	114.3
310	Q	37.2	Very low	39.7	Very low	179 Å²	179	132.3 Å²	132.3	84%	0.836	79%	0.791	S	S	*	*			trans	85.1	153.6	161.7	-46.5	-170.2	10.5	0	0	116.7
311	S	38.7	Very low	39.5	Very low	108 Å²	108	134.2 Å²	134.2	76%	0.755	79%	0.791	S	S	*	*			cis	-143.2	-173.2	16.9	62.1	0	0	0	0	115.3
312	N	32.9	Very low	39.4	Very low	147 Å²	147	139.9 Å²	139.9	79%	0.786	80%	0.796	S	S	*	*			trans	-80.8	166.4	-166.3	-50.9	-76.7	0	0	0	116.3
313	L	38.8	Very low	38.9	Very low	178 Å²	178	139.2 Å²	139.2	93%	0.932	79%	0.785	S	S	*	*				-170.6	172.9	109.6	-95.6	165.1	0	0	0	112.4
314	Q	36.3	Very low	38.1	Very low	182 Å²	182	145.3 Å²	145.3	85%	0.85	79%	0.791	S	S	*	*			trans	-138.9	-160.3	-157.1	-139.4	-157	-9.5	0	0	114.4
315	P	49	Very low	37.7	Very low	102 Å²	102	147.4 Å²	147.4	66%	0.662	79%	0.789	S	S	*	*				-123.3	-167.6	-129.9	43.9	-24.2	0	0	0	115.6
316	L	36.6	Very low	37.7	Very low	151 Å²	151	148 Å²	148	79%	0.791	79%	0.794	S	S	*	*			trans	-156	125.5	171	-148.7	83.2	0	0	0	115.5
317	H	40.6	Very low	37.5	Very low	163 Å²	163	143.9 Å²	143.9	76%	0.755	79%	0.792	S	S	*	*			trans	56.5	154.5	147.1	-76.1	-139	0	0	0	120.5
318	T	38	Very low	37	Very low	127 Å²	127	143.8 Å²	143.8	78%	0.779	80%	0.795	S	S	*	*			cis	-150.2	175.4	9.6	-14.3	0	0	0	0	113.4
319	L	37.4	Very low	36.9	Very low	158 Å²	158	144 Å²	144	83%	0.827	80%	0.797	S	S	*	*			trans	-89.6	-172.1	-175.8	-65.2	171.2	0	0	0	113
320	P	39.3	Very low	36.1	Very low	123 Å²	123	149.9 Å²	149.9	80%	0.799	81%	0.805	S	S	*	*			cis	-140.5	-172.8	8.8	42.4	-20.5	0	0	0	119.1
321	E	35.7	Very low	36	Very low	160 Å²	160	146.7 Å²	146.7	75%	0.748	80%	0.803	S	S	*	*			trans	-79.1	172.5	-168.3	-46.9	163.9	117.2	0	0	116.4
322	Y	38.4	Very low	36	Very low	238 Å²	238	147.1 Å²	147.1	93%	0.933	80%	0.803	S	S	*	*				-145.9	151.2	121	-109.3	-77.9	0	0	0	110.2
323	C	30.6	Very low	36	Very low	77 Å²	77	145.9 Å²	145.9	52%	0.52	81%	0.806	S	S	.	*			trans	-145.4	153	-163.6	-173.9	0	0	0	0	112.8
324	W	31.5	Very low	35.8	Very low	257 Å²	257	142 Å²	142	97%	0.973	80%	0.799	S	S	*	*			trans	-141.4	125.8	160.2	-80.7	105.5	0	0	0	110.6
325	T	30.5	Very low	35.7	Very low	122 Å²	122	142.4 Å²	142.4	75%	0.748	80%	0.801	S	S	*	*			trans	-145.6	128.8	179.9	51.2	0	0	0	0	111.7
326	A	36.3	Very low	35.1	Very low	106 Å²	106	148.8 Å²	148.8	88%	0.876	81%	0.814	S	S	*	*			trans	-170.9	146.6	157.1	0	0	0	0	0	109.8
327	A	33.2	Very low	35.3	Very low	100 Å²	100	149.4 Å²	149.4	83%	0.826	81%	0.812	S	S	*	*			cis	-158.9	146.1	-24.2	0	0	0	0	0	108.7
328	C	28.6	Very low	36	Very low	127 Å²	127	147 Å²	147	86%	0.858	81%	0.811	S	S	*	*			trans	-92	152.7	175.4	-66.6	0	0	0	0	111.9
329	S	35.9	Very low	36.9	Very low	112 Å²	112	146.7 Å²	146.7	78%	0.783	81%	0.811	S	S	*	*			trans	-157.4	112.1	154.9	-90.5	0	0	0	0	116.1
330	R	33.6	Very low	37.2	Very low	230 Å²	230	144.9 Å²	144.9	87%	0.868	81%	0.809	S	S	*	*			trans	68	104.3	133.3	-66.9	-173.7	170.9	-142.4	-4.7	121.6
331	S	35	Very low	37.1	Very low	112 Å²	112	144 Å²	144	78%	0.783	81%	0.812	S	S	*	*				101.1	138	117.8	-64.7	0	0	0	0	119
332	P	37.7	Very low	37.3	Very low	117 Å²	117	142.2 Å²	142.2	76%	0.76	81%	0.812	S	S	*	*			trans	-103	-171.5	-176.5	42.7	-38.1	0	0	0	113.8
333	S	32.4	Very low	37.2	Very low	121 Å²	121	135.2 Å²	135.2	85%	0.846	80%	0.804	S	S	*	*			trans	95.5	92.1	161.9	-56.6	0	0	0	0	117.5
334	A	35.7	Very low	37.6	Very low	97 Å²	97	142 Å²	142	80%	0.802	82%	0.82	S	S	*	*			trans	-138.1	126.8	145.8	0	0	0	0	0	108.3
335	H	34	Very low	37.7	Very low	190 Å²	190	135.3 Å²	135.3	88%	0.88	81%	0.811	S	S	*	*			trans	-68.4	138.8	171.9	-80.4	-91.9	0	0	0	109.8
336	Y	36	Very low	38.1	Very low	237 Å²	237	137.3 Å²	137.3	93%	0.929	82%	0.817	S	S	*	*			trans	-133.5	133.4	155.7	-122.5	-92.1	0	0	0	109.6
337	Q	40.4	Very low	38.2	Very low	164 Å²	164	137.8 Å²	137.8	77%	0.766	81%	0.814	S	S	*	*			trans	-125.3	130.5	-170.6	-173.7	176.2	-32.1	0	0	107.8
338	P	56.1	Low	38.5	Very low	113 Å²	113	136.8 Å²	136.8	73%	0.734	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68.4	140.7	-180	28.1	-33.8	0	0	0	110.5
339	P	56.5	Low	39.1	Very low	119 Å²	119	140 Å²	140	77%	0.773	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-74.9	141.7	-179	30.2	-34.5	0	0	0	111.8
340	P	42.9	Very low	39.4	Very low	121 Å²	121	139.8 Å²	139.8	79%	0.786	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74.7	156	172.5	32.4	-34.9	0	0	0	111.7
341	A	38.2	Very low	39.7	Very low	104 Å²	104	134.9 Å²	134.9	86%	0.86	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-71.1	128.9	-177.8	0	0	0	0	0	112.9	A343	A341-A343 PolarHBondContact O-N 3Å
342	T	39	Very low	40.1	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	82%	0.815	S	S	*	*			trans	-77.1	103.9	174.8	-50.8	0	0	0	0	110.9	Y344	T342-Y344 HydrophobicContact CG2-CD2 4.24Å; T342-Y344 HydrophobicContact CG2-CE2 4.48Å; T342-Y344 PolarHBondContact O-N 3.07Å
343	A	36.9	Very low	40.2	Very low	92 Å²	92	134 Å²	134	76%	0.76	82%	0.816	S	S	*	*			trans	-71.6	117.4	168.6	0	0	0	0	0	110.4	A341	A341-A343 PolarHBondContact O-N 3Å
344	Y	38.6	Very low	40.5	Very low	218 Å²	218	134.3 Å²	134.3	86%	0.855	82%	0.818	S	S	*	*			trans	-95.2	102	169.5	-114.6	-83.4	0	0	0	110	T342	T342-Y344 HydrophobicContact CG2-CD2 4.24Å; T342-Y344 HydrophobicContact CG2-CE2 4.48Å; T342-Y344 PolarHBondContact O-N 3.07Å
345	C	33.3	Very low	40.6	Very low	118 Å²	118	134.3 Å²	134.3	80%	0.797	82%	0.818	S	S	*	*			trans	-70.1	133.8	165.3	-63.4	0	0	0	0	109.4
346	N	38.8	Very low	40.9	Very low	163 Å²	163	131.7 Å²	131.7	87%	0.872	82%	0.815	S	S	*	*			trans	-145.4	134.8	152.1	-153.4	3.7	0	0	0	110.2
347	S	39.3	Very low	40.9	Very low	116 Å²	116	124.7 Å²	124.7	81%	0.811	81%	0.807	S	S	*	*			trans	-105.4	138.1	-171.1	43.6	0	0	0	0	111.5
348	G	40.1	Very low	41.1	Very low	80 Å²	80	125 Å²	125	83%	0.825	81%	0.812	S	S	*	*			trans	-162.2	114.9	176.3	0	0	0	0	0	111.1
349	Q	41.1	Very low	40.2	Very low	195 Å²	195	128.6 Å²	128.6	91%	0.911	82%	0.82	S	S	*	*			trans	-100.7	168	179.2	-100	-155.1	-76.5	0	0	112.2
350	P	41.9	Very low	39.6	Very low	107 Å²	107	130 Å²	130	70%	0.695	83%	0.826	S	S	*	*			trans	-105.1	166.2	-151.7	40.2	-37.6	0	0	0	115.8
351	S	40.4	Very low	39.6	Very low	126 Å²	126	129.8 Å²	129.8	88%	0.881	83%	0.828	S	S	*	*			trans	-142.1	150.6	165.5	-73.3	0	0	0	0	112.2
352	S	41.9	Very low	39.7	Very low	119 Å²	119	129.7 Å²	129.7	83%	0.832	83%	0.827	S	S	*	*			trans	-73.9	160.8	-175.9	48.9	0	0	0	0	116.3
353	A	40.8	Very low	39.6	Very low	93 Å²	93	127.7 Å²	127.7	77%	0.769	83%	0.83	S	S	*	*				-176.1	123.3	125.2	0	0	0	0	0	115.9
354	S	38.8	Very low	39.7	Very low	127 Å²	127	127.7 Å²	127.7	89%	0.888	83%	0.83	S	S	*	*			trans	36.9	133.6	135.9	-54.2	0	0	0	0	125.3
355	A	37.1	Very low	39.9	Very low	97 Å²	97	125.1 Å²	125.1	80%	0.802	83%	0.826	S	S	*	*			trans	-69.9	173.7	173	0	0	0	0	0	117.4
356	T	41.1	Very low	40.2	Very low	134 Å²	134	129.1 Å²	129.1	82%	0.822	82%	0.824	S	S	*	*			trans	-159.1	149.2	146	-74.1	0	0	0	0	110
357	A	35.1	Very low	40.2	Very low	91 Å²	91	127.8 Å²	127.8	75%	0.752	82%	0.817	S	S	*	*			trans	-143.4	151.2	174.1	0	0	0	0	0	111.1
358	L	45.4	Very low	40.4	Very low	170 Å²	170	126.6 Å²	126.6	89%	0.89	81%	0.808	S	S	*	*			trans	-144.4	152.1	177.3	-74.1	175.4	0	0	0	112.2
359	Q	36.9	Very low	40.5	Very low	189 Å²	189	128.5 Å²	128.5	88%	0.883	81%	0.81	S	S	*	*			trans	-133.1	150.9	171.9	-67.2	-179	-1.5	0	0	110
360	T	44.6	Very low	40.5	Very low	149 Å²	149	123.8 Å²	123.8	91%	0.914	80%	0.803	S	S	*	*			trans	-145.9	167.9	169.1	40	0	0	0	0	110.5
361	S	41.9	Very low	40.4	Very low	116 Å²	116	123.4 Å²	123.4	81%	0.811	81%	0.809	S	S	*	*			trans	-148.3	163.2	-149.2	54.9	0	0	0	0	117.8
362	A	39.8	Very low	40.4	Very low	102 Å²	102	121.4 Å²	121.4	84%	0.843	80%	0.795	S	S	*	*			trans	88.6	128.9	146.7	0	0	0	0	0	123.3
363	G	38.6	Very low	40.4	Very low	79 Å²	79	125.5 Å²	125.5	81%	0.814	79%	0.794	S	S	*	*			trans	90.4	160.8	149.7	0	0	0	0	0	119.4
364	A	39.4	Very low	40.5	Very low	92 Å²	92	128.2 Å²	128.2	76%	0.76	79%	0.791	S	S	*	*			cis	-169.7	142.7	-26.3	0	0	0	0	0	113.5
365	Q	41.4	Very low	40.6	Very low	164 Å²	164	131.1 Å²	131.1	77%	0.766	78%	0.782	S	S	*	*			trans	68.3	122.9	148.2	-76.2	179.3	-161.5	0	0	126.1
366	R	40.3	Very low	40.8	Very low	203 Å²	203	130 Å²	130	77%	0.766	78%	0.78	S	S	*	*				95.6	132.7	124.1	-80.6	-175	175.9	-162.4	-2.4	125.3
367	N	38.4	Very low	40.8	Very low	134 Å²	134	126.5 Å²	126.5	72%	0.717	77%	0.771	S	S	*	*			trans	69.3	156.9	144.7	-66.9	24.1	0	0	0	121.2
368	S	43.1	Very low	41.3	Very low	91 Å²	91	131.5 Å²	131.5	64%	0.636	77%	0.772	S	S	*	*			cis	-175.9	158.1	-28.8	-87.9	0	0	0	0	112.4
369	S	43.4	Very low	41.7	Very low	121 Å²	121	128.1 Å²	128.1	85%	0.846	76%	0.76	S	S	*	*			trans	75.7	160.8	161.3	-3.6	0	0	0	0	119.4
370	A	40	Very low	42.2	Very low	95 Å²	95	124.9 Å²	124.9	79%	0.785	75%	0.753	S	S	*	*			cis	-176.8	162.5	-35.4	0	0	0	0	0	112.1
371	A	39.4	Very low	42.1	Very low	99 Å²	99	121.9 Å²	121.9	82%	0.818	74%	0.744	S	S	*	*			trans	73.4	153.6	162.9	0	0	0	0	0	120.3
372	S	42	Very low	42.3	Very low	84 Å²	84	123.8 Å²	123.8	59%	0.587	74%	0.74	S	S	*	*			cis	-176.5	150.2	-21.9	58	0	0	0	0	115.5
373	Y	40.9	Very low	43.2	Very low	205 Å²	205	123.6 Å²	123.6	80%	0.804	73%	0.73	S	S	*	*			trans	67.7	163.7	153	-54.7	-40.7	0	0	0	120.3
374	Q	44.2	Very low	44	Very low	150 Å²	150	124.9 Å²	124.9	70%	0.701	72%	0.724	S	S	*	*			cis	-173.9	173.4	-23.8	-98.4	-166.1	90.6	0	0	108.8
375	R	40.4	Very low	44.4	Very low	188 Å²	188	126.6 Å²	126.6	71%	0.709	73%	0.726	S	S	*	*			cis	179.7	129.6	-27.9	171.7	-177	172.8	-88.8	-2	112.2
376	G	40.7	Very low	44.4	Very low	74 Å²	74	122.7 Å²	122.7	76%	0.763	72%	0.721	S	S	*	*			trans	112.4	157.5	162	0	0	0	0	0	116.5
377	G	41.3	Very low	44.5	Very low	61 Å²	61	120.6 Å²	120.6	63%	0.629	72%	0.724	S	S	*	*			cis	-165.9	150.5	-2.3	0	0	0	0	0	111.4
378	Y	45.9	Very low	44.7	Very low	195 Å²	195	120.6 Å²	120.6	77%	0.765	73%	0.729	S	S	*	*				86.6	154.9	87.3	-68.7	-46.5	0	0	0	115.6
379	P	53.6	Low	44.6	Very low	99 Å²	99	120.1 Å²	120.1	64%	0.643	73%	0.73	S	S	*	*			cis	-143.9	-161.8	-31.7	41.2	-21.6	0	0	0	114.5
380	T	46.2	Very low	45.1	Very low	121 Å²	121	122.7 Å²	122.7	74%	0.742	73%	0.731	S	S	*	*			trans	67.7	147.2	159.6	45.7	0	0	0	0	118.3
381	A	44.6	Very low	45.2	Very low	87 Å²	87	125.9 Å²	125.9	72%	0.719	73%	0.729	S	S	*	*			cis	-158.7	163.5	5.9	0	0	0	0	0	109.9
382	E	45.6	Very low	45.8	Very low	156 Å²	156	129 Å²	129	73%	0.729	73%	0.727	S	S	*	*			cis	-157.1	170.8	-21.2	-99.2	-38.1	90.8	0	0	109
383	P	57.8	Low	45.9	Very low	97 Å²	97	133.4 Å²	133.4	63%	0.63	74%	0.738	S	S	*	*			trans	-114.4	-130.5	-171.4	44.6	-32.8	0	0	0	110.7
384	P	55.1	Low	46	Very low	107 Å²	107	130.7 Å²	130.7	70%	0.695	73%	0.732	S	S	*	*			cis	-116.3	-145.3	-28.1	29.4	-5	0	0	0	110.3
385	T	47.5	Very low	45.9	Very low	128 Å²	128	131 Å²	131	79%	0.785	73%	0.733	S	S	*	*			cis	-160.1	-178.8	7.9	-7.4	0	0	0	0	105.8
386	A	42.7	Very low	46	Very low	81 Å²	81	130.1 Å²	130.1	67%	0.669	74%	0.737	S	S	*	*			cis	-169.1	164.9	-5.4	0	0	0	0	0	105
387	L	41.1	Very low	46.3	Very low	159 Å²	159	131.9 Å²	131.9	83%	0.832	74%	0.735	S	S	*	*			cis	-153.3	-178.8	-16.2	-104.2	165.7	0	0	0	104.5
388	V	43	Very low	46.5	Very low	135 Å²	135	135.7 Å²	135.7	82%	0.818	75%	0.746	S	S	*	*			cis	-151	154.4	37.7	165	0	0	0	0	107.7
389	A	41.1	Very low	46.2	Very low	81 Å²	81	129.6 Å²	129.6	67%	0.669	74%	0.742	S	S	*	*			trans	-119.2	159.5	-176.1	0	0	0	0	0	114
390	M	54.5	Low	45.6	Very low	175 Å²	175	133.6 Å²	133.6	86%	0.862	76%	0.755	S	S	*	*			trans	-137	143.4	156.4	-82.8	-61.5	167.5	0	0	111.4
391	H	42.6	Very low	45.4	Very low	161 Å²	161	132.9 Å²	132.9	75%	0.745	75%	0.752	S	S	*	*			trans	-59.5	154	-175.1	-56.7	81.6	0	0	0	112.9
392	H	50.1	Low	45.5	Very low	165 Å²	165	134.6 Å²	134.6	76%	0.764	76%	0.756	S	S	*	*				-162.9	157.8	55.5	-106.1	-84	0	0	0	115.6
393	H	44.5	Very low	45.2	Very low	176 Å²	176	133.4 Å²	133.4	82%	0.815	76%	0.759	S	S	*	*			trans	59.7	105.4	154.1	-97.4	-66.4	0	0	0	123.9
394	H	44.1	Very low	44.6	Very low	148 Å²	148	139.8 Å²	139.8	69%	0.685	77%	0.772	S	S	*	*			trans	-54.1	163.9	144.8	-104.4	6.9	0	0	0	113.8
395	Q	41.2	Very low	43.9	Very low	157 Å²	157	142.9 Å²	142.9	73%	0.734	78%	0.782	S	S	*	*			cis	-155.8	177.1	12.9	-140.9	164.5	24.2	0	0	114
396	H	43.4	Very low	43.4	Very low	170 Å²	170	142 Å²	142	79%	0.787	78%	0.781	S	S	*	*			trans	-95.1	-157.8	175	-49.6	-96.9	0	0	0	111.2
397	P	46.9	Very low	43.3	Very low	111 Å²	111	143.8 Å²	143.8	72%	0.721	79%	0.786	S	S	*	*			cis	-144.8	-167.5	-4.3	35.4	-9.4	0	0	0	117.8
398	V	44.3	Very low	42.7	Very low	141 Å²	141	142.2 Å²	142.2	86%	0.855	79%	0.787	S	S	*	*			trans	61.2	118.1	156.5	-68.7	0	0	0	0	123.3
399	G	39.7	Very low	42.6	Very low	67 Å²	67	139.8 Å²	139.8	69%	0.691	78%	0.781	S	S	*	*				108.8	89.7	89.7	0	0	0	0	0	121.7
400	M	42.8	Very low	42.7	Very low	183 Å²	183	141.3 Å²	141.3	90%	0.901	78%	0.782	S	S	*	*			trans	64.8	162.3	153.3	-56.7	-62.3	-178.7	0	0	119.3
401	P	40.7	Very low	41.7	Very low	105 Å²	105	139.2 Å²	139.2	68%	0.682	78%	0.781	S	S	*	*			cis	-115	167	-19	39.3	-27.7	0	0	0	113
402	P	46.5	Very low	41.6	Very low	123 Å²	123	136.1 Å²	136.1	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-83.9	126	175.7	32.8	-32.7	0	0	0	112.9
403	T	40.7	Very low	41	Very low	131 Å²	131	134.8 Å²	134.8	80%	0.804	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-92	140.8	173.9	48.7	0	0	0	0	112.7	L405	T403-L405 PolarHBondContact O-N 3.25Å
404	Y	43.6	Very low	40.5	Very low	231 Å²	231	136 Å²	136	91%	0.906	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-60.3	127.3	175.4	-70	-105.4	0	0	0	113.1
405	L	41.6	Very low	40.2	Very low	172 Å²	172	137 Å²	137	90%	0.901	79%	0.785	S	S	*	*			trans	-143.7	133.2	146.9	-77.8	-177.3	0	0	0	109.3	T403	T403-L405 PolarHBondContact O-N 3.25Å
406	S	35.5	Very low	39.9	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	79%	0.788	S	S	*	*			trans	-90.8	159	170.3	-179.8	0	0	0	0	110
407	P	40.9	Very low	39.3	Very low	119 Å²	119	140 Å²	140	77%	0.773	79%	0.79	S	S	*	*				-140.1	161.4	117.5	34.9	-21.3	0	0	0	115.3
408	C	29.3	Very low	38.7	Very low	126 Å²	126	140.5 Å²	140.5	85%	0.851	79%	0.791	S	S	*	*			trans	-63.9	135.1	173.3	171.5	0	0	0	0	113.3
409	A	39.8	Very low	38	Very low	83 Å²	83	138.9 Å²	138.9	69%	0.686	79%	0.786	S	S	*	*			trans	-161.7	111.9	152.2	0	0	0	0	0	113.8
410	T	44.4	Very low	37.6	Very low	114 Å²	114	140.4 Å²	140.4	70%	0.699	79%	0.786	S	S	*	*			trans	68.8	144.2	151.6	61.3	0	0	0	0	121.4
411	P	33.7	Very low	37.2	Very low	130 Å²	130	137.7 Å²	137.7	84%	0.844	78%	0.775	S	S	*	*	S	Bend	trans	-87	107.8	175.1	33.5	-31.6	0	0	0	111.9
412	S	39.4	Very low	36.8	Very low	96 Å²	96	137 Å²	137	67%	0.671	77%	0.772	S	S	*	*			trans	-149.4	-2.3	173.1	-62.8	0	0	0	0	115.7	F414	S412-F414 PolarHBondContact O-N 3.18Å
413	D	38.1	Very low	36.2	Very low	138 Å²	138	137 Å²	137	74%	0.738	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-83.8	-0.3	-170.8	-73.4	-63.2	0	0	0	116.3	E415	D413-E415 VanDerWaalsContact C-N 3.3Å; D413-E415 PolarHBondContact O-N 3.26Å
414	F	33.4	Very low	36.4	Very low	202 Å²	202	134 Å²	134	89%	0.886	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-75.3	-18	179.4	-155.3	-102.1	0	0	0	113.5	S412 R416	S412-F414 PolarHBondContact O-N 3.18Å; F414-R416 PolarHBondContact O-N 3.04Å
415	E	37.8	Very low	36.2	Very low	169 Å²	169	126 Å²	126	79%	0.79	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-92.4	8.6	-170.6	-124.8	166.2	105.2	0	0	114.9	D413 T418	D413-E415 VanDerWaalsContact C-N 3.3Å; D413-E415 PolarHBondContact O-N 3.26Å; E415-T418 PolarHBondContact O-OG1 3.03Å
416	R	35.5	Very low	36.6	Very low	213 Å²	213	118.1 Å²	118.1	80%	0.804	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-102.3	-7.1	-175.4	-100	-179.4	-178	-103.6	-1.8	117	F414	F414-R416 PolarHBondContact O-N 3.04Å
417	Q	30.8	Very low	37.1	Very low	177 Å²	177	117.6 Å²	117.6	83%	0.827	68%	0.68	S	S	*	*	S	Bend	trans	-83.6	-13.2	178	-66.3	-172.8	-0.4	0	0	113.5	S419	Q417-S419 PolarHBondContact O-N 3.36Å; Q417-S419 VanDerWaalsContact O-N 3.15Å
418	T	33.4	Very low	37.1	Very low	121 Å²	121	115.7 Å²	115.7	74%	0.742	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	21.9	-177.7	50.5	0	0	0	0	114.4	E415	E415-T418 PolarHBondContact O-OG1 3.03Å
419	S	31.4	Very low	38.2	Very low	107 Å²	107	115.3 Å²	115.3	75%	0.748	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.9	16.6	-171.9	-72.1	0	0	0	0	116.2	Q417	Q417-S419 PolarHBondContact O-N 3.36Å; Q417-S419 VanDerWaalsContact O-N 3.15Å
420	S	30.9	Very low	38.6	Very low	98 Å²	98	112.2 Å²	112.2	69%	0.685	62%	0.624	S	S	*	*			trans	-147.4	38.8	175.1	72.7	0	0	0	0	115.7	S422	S420-S422 PolarHBondContact O-N 3.09Å
421	L	34.3	Very low	38.7	Very low	126 Å²	126	108.9 Å²	108.9	66%	0.66	61%	0.612	S	S	*	*			trans	-71	87	157.2	-71.8	-180	0	0	0	108.4
422	S	31.1	Very low	39.6	Very low	90 Å²	90	109.1 Å²	109.1	63%	0.629	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-48.7	138.4	171.8	51.7	0	0	0	0	109.8	S420 L424	S420-S422 PolarHBondContact O-N 3.09Å; S422-L424 PolarHBondContact O-N 3.26Å; S422-L424 VanDerWaalsContact O-N 3.09Å
423	P	35.8	Very low	41.1	Very low	125 Å²	125	106.2 Å²	106.2	81%	0.812	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-52.4	123.1	-175.2	23	-34.2	0	0	0	109	S425	P423-S425 PolarHBondContact O-N 3.41Å
424	L	43.5	Very low	43.3	Very low	67 Å²	67	105.1 Å²	105.1	35%	0.351	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-51.5	133.2	-165.3	-68.6	-169.9	0	0	0	110.2	S422 L426 M446 L522 M524	S422-L424 PolarHBondContact O-N 3.26Å; S422-L424 VanDerWaalsContact O-N 3.09Å; L424-L426 HydrophobicContact CB-CG 4.43Å; L424-L426 PolarHBondContact O-N 2.91Å; L424-M446 HydrophobicContact CD1-CE 3.52Å; L424-M446 HydrophobicContact CD1-SD 3.84Å; L424-M446 HydrophobicContact CG-CE 4.04Å; L424-M446 HydrophobicContact CG-SD 4.42Å; L424-L522 HydrophobicContact CD1-CD2 3.69Å; L424-M524 HydrophobicContact CD1-CE 4.27Å
425	S	39.5	Very low	46	Very low	62 Å²	62	97 Å²	97	43%	0.434	57%	0.568	S	S	.	*			trans	-73.1	68.4	170.8	-168.1	0	0	0	0	109.5	P423 T427 S428 Y429	P423-S425 PolarHBondContact O-N 3.41Å; S425-T427 PolarHBondContact O-N 3.15Å; S425-S428 VanDerWaalsContact CB-OG 3.31Å; S425-S428 WeakPolarHBondContact CB-OG 3.36Å; S425-S428 WeakPolarHBondContact O-CA 3.25Å; S425-S428 WeakPolarHBondContact O-CB 3.47Å; S425-S428 PolarHBondContact O-N 3.3Å; S425-S428 PolarHBondContact OG-N 3.3Å; S425-S428 VanDerWaalsContact OG-N 3.11Å; S425-S428 PolarHBondContact OG-OG 3.37Å; S425-Y429 PolarHBondContact O-N 2.93Å
426	L	50.6	Low	48.6	Very low	8 Å²	8	92.8 Å²	92.8	4%	0.042	55%	0.548	C	S	.	.	H	α-helix	trans	-55.8	-22	157.4	-74.3	158.2	0	0	0	110	L424 S428 Y429 S430 L442 E443 M446	L424-L426 HydrophobicContact CB-CG 4.43Å; L424-L426 PolarHBondContact O-N 2.91Å; L426-S428 VanDerWaalsContact C-N 3.29Å; L426-S428 PolarHBondContact O-N 3.25Å; L426-Y429 CarbonylContact O-C 3.56Å; L426-Y429 PolarHBondContact O-N 3.18Å; L426-Y429 VanDerWaalsContact O-N 3.16Å; L426-S430 PolarHBondContact O-N 2.79Å; L426-S430 PolarHBondContact O-OG 3.07Å; L426-L442 HydrophobicContact CD1-CB 4.4Å; L426-L442 HydrophobicContact CD1-CD2 4.44Å; L426-L442 HydrophobicContact CD1-CG 4.07Å; L426-L442 HydrophobicContact CD2-CD2 3.89Å; L426-L442 HydrophobicContact CD2-CG 4.42Å; L426-E443 HydrophobicContact CD1-CB 4.21Å; L426-M446 HydrophobicContact CD1-SD 4.38Å
427	T	44.8	Very low	51.5	Low	99 Å²	99	83 Å²	83	61%	0.607	51%	0.512	S	S	*	.	H	α-helix	trans	-57	-35.6	164	-38.5	0	0	0	0	113.2	S425 S430	S425-T427 PolarHBondContact O-N 3.15Å; T427-S430 WeakPolarHBondContact CA-OG 3.38Å; T427-S430 CarbonylContact O-C 3.58Å; T427-S430 PolarHBondContact O-N 3.26Å; T427-S430 PolarHBondContact O-OG 3.07Å
428	S	42	Very low	54.6	Low	78 Å²	78	76 Å²	76	55%	0.545	48%	0.478	S	S	.	.	H	α-helix	trans	-74.1	-31.9	173.5	-56.9	0	0	0	0	112.3	S425 L426	S425-S428 VanDerWaalsContact CB-OG 3.31Å; S425-S428 WeakPolarHBondContact CB-OG 3.36Å; S425-S428 WeakPolarHBondContact O-CA 3.25Å; S425-S428 WeakPolarHBondContact O-CB 3.47Å; S425-S428 PolarHBondContact O-N 3.3Å; S425-S428 PolarHBondContact OG-N 3.3Å; S425-S428 VanDerWaalsContact OG-N 3.11Å; S425-S428 PolarHBondContact OG-OG 3.37Å; L426-S428 VanDerWaalsContact C-N 3.29Å; L426-S428 PolarHBondContact O-N 3.25Å
429	Y	51.4	Low	57.5	Low	119 Å²	119	70.7 Å²	70.7	47%	0.467	45%	0.445	S	S	.	.	H	α-helix	trans	-74.1	-29.3	170.1	-78.7	-89.4	0	0	0	112.1	S425 L426 G431 L521	S425-Y429 PolarHBondContact O-N 2.93Å; L426-Y429 CarbonylContact O-C 3.56Å; L426-Y429 PolarHBondContact O-N 3.18Å; L426-Y429 VanDerWaalsContact O-N 3.16Å; Y429-G431 PolarHBondContact O-N 2.76Å; Y429-G431 VanDerWaalsContact O-N 3.15Å; Y429-L521 HydrophobicContact CD1-CD1 3.56Å; Y429-L521 HydrophobicContact CD1-CG 4.33Å; Y429-L521 HydrophobicContact CE1-CD1 3.57Å; Y429-L521 HydrophobicContact CE1-CG 4.23Å; Y429-L521 HydrophobicContact CG-CD1 4.43Å; Y429-L521 PolarHBondContact OH-O 3.22Å; Y429-L521 VanDerWaalsContact OH-O 3.12Å
430	S	49.3	Very low	60.5	Low	18 Å²	18	65.7 Å²	65.7	13%	0.126	41%	0.41	C	S	.	.	S	Bend	trans	-85.7	55.5	169.4	75.8	0	0	0	0	111.5	L426 T427 S432 G433	L426-S430 PolarHBondContact O-N 2.79Å; L426-S430 PolarHBondContact O-OG 3.07Å; T427-S430 WeakPolarHBondContact CA-OG 3.38Å; T427-S430 CarbonylContact O-C 3.58Å; T427-S430 PolarHBondContact O-N 3.26Å; T427-S430 PolarHBondContact O-OG 3.07Å; S430-S432 PolarHBondContact O-N 3.13Å; S430-G433 PolarHBondContact O-N 3.26Å
431	G	45.5	Very low	63.7	Low	43 Å²	43	61 Å²	61	44%	0.443	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	107.5	-172.7	0	0	0	0	0	113.8	Y429 G433	Y429-G431 PolarHBondContact O-N 2.76Å; Y429-G431 VanDerWaalsContact O-N 3.15Å; G431-G433 PolarHBondContact O-N 2.6Å
432	S	53.8	Low	66.6	Low	136 Å²	136	55 Å²	55	95%	0.951	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	-4	179.1	-161.2	0	0	0	0	118.4	S430	S430-S432 PolarHBondContact O-N 3.13Å
433	G	71.2	Confident	69.6	Low	35 Å²	35	53.4 Å²	53.4	36%	0.361	33%	0.328	S	S	.	.	S	Bend	trans	-97.1	170.8	-168	0	0	0	0	0	115	S430 G431 I435	S430-G433 PolarHBondContact O-N 3.26Å; G431-G433 PolarHBondContact O-N 2.6Å; G433-I435 PolarHBondContact O-N 2.67Å; G433-I435 VanDerWaalsContact O-N 3.09Å
434	P	83.8	Confident	72.4	Confident	115 Å²	115	47.9 Å²	47.9	75%	0.747	29%	0.292	S	S	*	.			trans	-69	107.8	176.8	-16.4	30.8	0	0	0	111.5	Q436	P434-Q436 PolarHBondContact O-N 2.72Å
435	I	89.2	Confident	74.9	Confident	31 Å²	31	44.8 Å²	44.8	16%	0.159	28%	0.275	C	S	.	.			trans	-35	129.3	-179.3	-172	175.4	0	0	0	114.3	G433 Q439 F440 W475 R478 K479	G433-I435 PolarHBondContact O-N 2.67Å; G433-I435 VanDerWaalsContact O-N 3.09Å; I435-Q439 HydrophobicContact CG1-CB 4.14Å; I435-F440 HydrophobicContact CD1-CB 4.07Å; I435-F440 HydrophobicContact CG1-CB 4.45Å; I435-W475 HydrophobicContact CG2-CZ3 4.45Å; I435-W475 WeakPolarHBondContact O-CH2 3.48Å; I435-R478 HydrophobicContact CG2-CG 4.01Å; I435-K479 HydrophobicContact CG2-CD 3.93Å; I435-K479 PolarHBondContact O-NZ 2.82Å
436	Q	92.9	Very high	77.4	Confident	80 Å²	80	43.7 Å²	43.7	37%	0.374	26%	0.264	S	S	.	.			trans	-84.1	158.6	-178.8	-56.5	-174.2	42.1	0	0	111.8	P434 W438 Q439 F440	P434-Q436 PolarHBondContact O-N 2.72Å; Q436-W438 PolarHBondContact O-N 3.08Å; Q436-Q439 HydrophobicContact CB-CG 4.18Å; Q436-Q439 PolarHBondContact O-N 3.47Å; Q436-F440 PolarHBondContact O-N 2.87Å
437	L	96.4	Very high	79.3	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-40.2	-179	171.7	63.3	0	0	0	111.7	F440 L441 W475 L489 L493 Y496	L437-F440 HydrophobicContact CD1-CD1 4.29Å; L437-F440 PolarHBondContact O-N 2.82Å; L437-L441 HydrophobicContact CD1-CD1 3.97Å; L437-L441 HydrophobicContact CD1-CG 4Å; L437-L441 HydrophobicContact CG-CD1 3.95Å; L437-L441 HydrophobicContact CG-CG 4.42Å; L437-L441 VanDerWaalsContact O-CG 3.3Å; L437-L441 WeakPolarHBondContact O-CG 3.43Å; L437-L441 PolarHBondContact O-N 3.17Å; L437-W475 HydrophobicContact CB-CH2 3.97Å; L437-W475 HydrophobicContact CB-CZ2 3.7Å; L437-W475 HydrophobicContact CD1-CD2 3.8Å; L437-W475 HydrophobicContact CD1-CE3 4.28Å; L437-W475 HydrophobicContact CD1-CG 3.98Å; L437-W475 HydrophobicContact CD1-CZ2 4.28Å; L437-L489 HydrophobicContact CD1-CD1 3.94Å; L437-L489 HydrophobicContact CD1-CD2 4.35Å; L437-L489 HydrophobicContact CD1-CG 3.87Å; L437-L489 HydrophobicContact CD2-CD2 4.29Å; L437-L489 HydrophobicContact CD2-CG 4.04Å; L437-L493 HydrophobicContact CD2-CD2 4.33Å; L437-L493 HydrophobicContact CD2-CG 4.26Å; L437-Y496 HydrophobicContact CB-CE2 3.93Å; L437-Y496 HydrophobicContact CD2-CE2 4.22Å; L437-Y496 HydrophobicContact CG-CE2 4.18Å; L437-Y496 PolarHBondContact N-OH 2.91Å
438	W	96.1	Very high	81.3	Confident	30 Å²	30	48.9 Å²	48.9	11%	0.114	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-40.3	178.1	73.5	-97.2	0	0	0	112.4	Q436 L441 L442 Y496 I501 I502 F514 L521	Q436-W438 PolarHBondContact O-N 3.08Å; W438-L441 PolarHBondContact O-N 2.82Å; W438-L442 HydrophobicContact CZ3-CD2 4.3Å; W438-L442 WeakPolarHBondContact O-CB 3.48Å; W438-L442 PolarHBondContact O-N 2.97Å; W438-Y496 HydrophobicContact CB-CD2 4.32Å; W438-Y496 HydrophobicContact CB-CE2 3.82Å; W438-Y496 AromaticContact CD1-CE1 3.87Å; W438-Y496 AromaticContact CD1-CZ 3.7Å; W438-Y496 PolarHBondContact N-OH 3.34Å; W438-I501 HydrophobicContact CB-CG2 3.77Å; W438-I501 HydrophobicContact CD2-CG2 3.94Å; W438-I501 HydrophobicContact CE3-CG2 4.49Å; W438-I501 HydrophobicContact CG-CG2 3.62Å; W438-I502 HydrophobicContact CB-CD1 3.8Å; W438-F514 HydrophobicContact CB-CE1 4.15Å; W438-F514 HydrophobicContact CE3-CE1 4.2Å; W438-L521 HydrophobicContact CH2-CD2 3.9Å; W438-L521 HydrophobicContact CZ3-CD2 3.71Å
439	Q	93.9	Very high	83.7	Confident	10 Å²	10	49.6 Å²	49.6	5%	0.047	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-43.5	176.1	-64.7	172	-40.6	0	0	111.1	I435 Q436 L442 E443	I435-Q439 HydrophobicContact CG1-CB 4.14Å; Q436-Q439 HydrophobicContact CB-CG 4.18Å; Q436-Q439 PolarHBondContact O-N 3.47Å; Q439-L442 PolarHBondContact O-N 3.05Å; Q439-E443 WeakPolarHBondContact O-CB 3.3Å; Q439-E443 PolarHBondContact O-N 3.25Å
440	F	95.7	Very high	85.5	Confident	3 Å²	3	44.2 Å²	44.2	1%	0.013	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-40.8	175.6	169.1	-99.7	0	0	0	112.9	I435 Q436 L437 L442 E443 L444 R474 W475 R478	I435-F440 HydrophobicContact CD1-CB 4.07Å; I435-F440 HydrophobicContact CG1-CB 4.45Å; Q436-F440 PolarHBondContact O-N 2.87Å; L437-F440 HydrophobicContact CD1-CD1 4.29Å; L437-F440 PolarHBondContact O-N 2.82Å; F440-L442 VanDerWaalsContact C-N 3.35Å; F440-E443 PolarHBondContact O-N 3.27Å; F440-L444 HydrophobicContact CD1-CD1 4.36Å; F440-L444 HydrophobicContact CE1-CD1 3.63Å; F440-L444 HydrophobicContact CE1-CG 4.36Å; F440-L444 HydrophobicContact CE2-CD1 4.31Å; F440-L444 HydrophobicContact CE2-CD2 4.34Å; F440-L444 HydrophobicContact CE2-CG 4.29Å; F440-L444 HydrophobicContact CZ-CD1 3.61Å; F440-L444 HydrophobicContact CZ-CD2 4.31Å; F440-L444 HydrophobicContact CZ-CG 4.09Å; F440-L444 WeakPolarHBondContact O-CG 3.38Å; F440-L444 PolarHBondContact O-N 3.4Å; F440-L444 VanDerWaalsContact O-N 3.11Å; F440-R474 HydrophobicContact CZ-CB 3.77Å; F440-W475 HydrophobicContact CB-CE3 3.84Å; F440-W475 HydrophobicContact CB-CZ3 3.68Å; F440-W475 HydrophobicContact CD1-CB 4.14Å; F440-W475 HydrophobicContact CD1-CD2 4.16Å; F440-W475 AromaticContact CD1-CE3 3.51Å; F440-W475 HydrophobicContact CD1-CE3 3.51Å; F440-W475 HydrophobicContact CD1-CG 4.44Å; F440-W475 HydrophobicContact CD1-CZ3 4.24Å; F440-W475 HydrophobicContact CD2-CE3 4.17Å; F440-W475 HydrophobicContact CE1-CB 3.61Å; F440-W475 HydrophobicContact CE1-CE3 4.09Å; F440-W475 HydrophobicContact CE1-CG 4.38Å; F440-W475 AromaticContact CG-CE3 3.55Å; F440-W475 HydrophobicContact CG-CE3 3.55Å; F440-W475 AromaticContact CG-CZ3 3.92Å; F440-W475 HydrophobicContact CG-CZ3 3.92Å; F440-W475 HydrophobicContact CZ-CB 4.15Å; F440-R478 HydrophobicContact CD2-CB 4.19Å; F440-R478 HydrophobicContact CD2-CG 3.87Å; F440-R478 HydrophobicContact CE2-CB 3.99Å; F440-R478 HydrophobicContact CE2-CG 4.15Å
441	L	97.5	Very high	87.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.8	-39.8	176	-70.2	168.5	0	0	0	111.4	L437 W438 L444 L445 I454 F463 L465 V471 L493 I502	L437-L441 HydrophobicContact CD1-CD1 3.97Å; L437-L441 HydrophobicContact CD1-CG 4Å; L437-L441 HydrophobicContact CG-CD1 3.95Å; L437-L441 HydrophobicContact CG-CG 4.42Å; L437-L441 VanDerWaalsContact O-CG 3.3Å; L437-L441 WeakPolarHBondContact O-CG 3.43Å; L437-L441 PolarHBondContact O-N 3.17Å; W438-L441 PolarHBondContact O-N 2.82Å; L441-L444 PolarHBondContact O-N 2.85Å; L441-L445 WeakPolarHBondContact O-CB 3.28Å; L441-L445 WeakPolarHBondContact O-CD1 3.34Å; L441-L445 VanDerWaalsContact O-CG 3.31Å; L441-L445 WeakPolarHBondContact O-CG 3.48Å; L441-L445 PolarHBondContact O-N 3.42Å; L441-I454 HydrophobicContact CB-CD1 4.48Å; L441-I454 HydrophobicContact CD2-CD1 3.73Å; L441-F463 HydrophobicContact CD1-CE2 4.5Å; L441-F463 HydrophobicContact CD1-CZ 4.4Å; L441-L465 HydrophobicContact CD2-CD2 4.25Å; L441-V471 HydrophobicContact CD2-CG1 3.66Å; L441-L493 HydrophobicContact CD1-CD2 3.64Å; L441-I502 HydrophobicContact CD1-CD1 4.33Å
442	L	95.4	Very high	89.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-42.5	175.2	-173.2	54.7	0	0	0	111.8	L426 W438 Q439 F440 L444 L445 M446 W456 F514 L518 L521 L522	L426-L442 HydrophobicContact CD1-CB 4.4Å; L426-L442 HydrophobicContact CD1-CD2 4.44Å; L426-L442 HydrophobicContact CD1-CG 4.07Å; L426-L442 HydrophobicContact CD2-CD2 3.89Å; L426-L442 HydrophobicContact CD2-CG 4.42Å; W438-L442 HydrophobicContact CZ3-CD2 4.3Å; W438-L442 WeakPolarHBondContact O-CB 3.48Å; W438-L442 PolarHBondContact O-N 2.97Å; Q439-L442 PolarHBondContact O-N 3.05Å; F440-L442 VanDerWaalsContact C-N 3.35Å; L442-L444 VanDerWaalsContact C-N 3.34Å; L442-L444 PolarHBondContact O-N 3.01Å; L442-L445 CarbonylContact O-C 3.5Å; L442-L445 PolarHBondContact O-N 3.07Å; L442-L445 VanDerWaalsContact O-N 3.11Å; L442-M446 HydrophobicContact CD1-CG 4.23Å; L442-M446 HydrophobicContact CD1-SD 4.3Å; L442-M446 HydrophobicContact CG-SD 4.38Å; L442-M446 WeakPolarHBondContact O-CG 3.17Å; L442-M446 PolarHBondContact O-N 2.81Å; L442-W456 HydrophobicContact CD1-CH2 3.84Å; L442-W456 HydrophobicContact CD1-CZ2 3.79Å; L442-F514 HydrophobicContact CB-CZ 4.04Å; L442-L518 HydrophobicContact CD1-CD1 3.99Å; L442-L518 HydrophobicContact CD2-CD1 4.36Å; L442-L518 HydrophobicContact CD2-CD2 3.76Å; L442-L521 HydrophobicContact CD2-CD2 4.25Å; L442-L522 HydrophobicContact CD1-CD1 4.43Å; L442-L522 HydrophobicContact CD2-CD2 4.29Å
443	E	93.4	Very high	91.9	Very high	56 Å²	56	43.7 Å²	43.7	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-57.2	-43.2	174	-175	-161.5	121.7	0	0	112.4	L426 Q439 F440 R478	L426-E443 HydrophobicContact CD1-CB 4.21Å; Q439-E443 WeakPolarHBondContact O-CB 3.3Å; Q439-E443 PolarHBondContact O-N 3.25Å; F440-E443 PolarHBondContact O-N 3.27Å; E443-R478 IonicContact OE1-CZ 2.69Å; E443-R478 VanDerWaalsContact OE1-CZ 3.28Å; E443-R478 IonicContact OE1-NH1 3.87Å; E443-R478 PolarHBondContact OE1-NH1 3.15Å; E443-R478 IonicContact OE1-NH2 3.72Å; E443-R478 PolarHBondContact OE1-NH2 3.36Å; E443-R478 IonicContact OE2-CZ 3.28Å; E443-R478 IonicContact OE2-NH1 2.98Å; E443-R478 PolarHBondContact OE2-NH1 3.31Å; E443-R478 IonicContact OE2-NH2 2.68Å
444	L	95.5	Very high	93.2	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-43.1	173.2	-63.5	178.3	0	0	0	111.6	F440 L441 L442 M446 S447 C450 F453 I454 V471	F440-L444 HydrophobicContact CD1-CD1 4.36Å; F440-L444 HydrophobicContact CE1-CD1 3.63Å; F440-L444 HydrophobicContact CE1-CG 4.36Å; F440-L444 HydrophobicContact CE2-CD1 4.31Å; F440-L444 HydrophobicContact CE2-CD2 4.34Å; F440-L444 HydrophobicContact CE2-CG 4.29Å; F440-L444 HydrophobicContact CZ-CD1 3.61Å; F440-L444 HydrophobicContact CZ-CD2 4.31Å; F440-L444 HydrophobicContact CZ-CG 4.09Å; F440-L444 WeakPolarHBondContact O-CG 3.38Å; F440-L444 PolarHBondContact O-N 3.4Å; F440-L444 VanDerWaalsContact O-N 3.11Å; L441-L444 PolarHBondContact O-N 2.85Å; L442-L444 VanDerWaalsContact C-N 3.34Å; L442-L444 PolarHBondContact O-N 3.01Å; L444-M446 PolarHBondContact O-N 2.83Å; L444-S447 PolarHBondContact O-N 3.03Å; L444-C450 HydrophobicContact CB-CB 4.25Å; L444-C450 VanDerWaalsContact O-CB 3.3Å; L444-C450 WeakPolarHBondContact O-CB 3.27Å; L444-F453 HydrophobicContact CD1-CE2 4.23Å; L444-F453 HydrophobicContact CD2-CE2 4.26Å; L444-I454 HydrophobicContact CB-CG2 3.68Å; L444-I454 HydrophobicContact CD1-CG2 4.18Å; L444-V471 HydrophobicContact CD1-CG1 4.46Å
445	L	96	Very high	93.8	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-66.7	-17.9	-179.9	-81.1	165.1	0	0	0	114.5	L441 L442 I454 W456 F463 F514 M533	L441-L445 WeakPolarHBondContact O-CB 3.28Å; L441-L445 WeakPolarHBondContact O-CD1 3.34Å; L441-L445 VanDerWaalsContact O-CG 3.31Å; L441-L445 WeakPolarHBondContact O-CG 3.48Å; L441-L445 PolarHBondContact O-N 3.42Å; L442-L445 CarbonylContact O-C 3.5Å; L442-L445 PolarHBondContact O-N 3.07Å; L442-L445 VanDerWaalsContact O-N 3.11Å; L445-I454 HydrophobicContact CD1-CD1 4.17Å; L445-I454 HydrophobicContact CD2-CD1 4.27Å; L445-I454 HydrophobicContact CD2-CG1 3.78Å; L445-I454 HydrophobicContact CG-CD1 3.85Å; L445-I454 HydrophobicContact CG-CG1 3.93Å; L445-W456 HydrophobicContact CB-CH2 4.38Å; L445-W456 HydrophobicContact CB-CZ2 3.64Å; L445-W456 HydrophobicContact CD1-CE3 4.47Å; L445-W456 HydrophobicContact CD1-CH2 3.95Å; L445-W456 HydrophobicContact CD1-CZ2 4.04Å; L445-W456 HydrophobicContact CD1-CZ3 4.17Å; L445-W456 HydrophobicContact CD2-CD2 3.99Å; L445-W456 HydrophobicContact CD2-CE3 4.49Å; L445-W456 HydrophobicContact CD2-CG 4.13Å; L445-W456 HydrophobicContact CG-CZ2 4.28Å; L445-W456 PolarHBondContact O-NE1 3.13Å; L445-F463 HydrophobicContact CD1-CB 3.72Å; L445-F463 HydrophobicContact CD1-CD1 4.02Å; L445-F463 HydrophobicContact CD1-CD2 3.91Å; L445-F463 HydrophobicContact CD1-CE2 4.5Å; L445-F463 HydrophobicContact CD1-CG 3.63Å; L445-F463 HydrophobicContact CD2-CB 3.78Å; L445-F463 HydrophobicContact CD2-CG 4.49Å; L445-F463 HydrophobicContact CG-CB 4.41Å; L445-F514 HydrophobicContact CD1-CE2 3.84Å; L445-M533 WeakPolarHBondContact O-CE 3.3Å
446	M	92	Very high	94.2	Very high	39 Å²	39	36.4 Å²	36.4	19%	0.192	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	9.2	173.4	-62.6	-167.8	80.8	0	0	113.1	L424 L426 L442 L444 L522 M524 M533	L424-M446 HydrophobicContact CD1-CE 3.52Å; L424-M446 HydrophobicContact CD1-SD 3.84Å; L424-M446 HydrophobicContact CG-CE 4.04Å; L424-M446 HydrophobicContact CG-SD 4.42Å; L426-M446 HydrophobicContact CD1-SD 4.38Å; L442-M446 HydrophobicContact CD1-CG 4.23Å; L442-M446 HydrophobicContact CD1-SD 4.3Å; L442-M446 HydrophobicContact CG-SD 4.38Å; L442-M446 WeakPolarHBondContact O-CG 3.17Å; L442-M446 PolarHBondContact O-N 2.81Å; L444-M446 PolarHBondContact O-N 2.83Å; M446-L522 HydrophobicContact CE-CD1 4.34Å; M446-L522 HydrophobicContact CE-CD2 4.3Å; M446-L522 HydrophobicContact SD-CD1 4.18Å; M446-L522 HydrophobicContact SD-CD2 3.81Å; M446-M524 HydrophobicContact CE-CE 3.77Å; M446-M533 VanDerWaalsContact C-SD 3.58Å
447	S	88.7	Confident	94.3	Very high	45 Å²	45	35 Å²	35	32%	0.315	19%	0.186	S	C	.	.			trans	-118.7	112.4	177.2	-168.9	0	0	0	0	111.8	L444 S449 C450	L444-S447 PolarHBondContact O-N 3.03Å; S447-S449 PolarHBondContact O-N 3.41Å; S447-S449 PolarHBondContact OG-OG 3.15Å; S447-C450 WeakPolarHBondContact O-CB 3.43Å; S447-C450 PolarHBondContact O-N 3.23Å
448	R	88.4	Confident	94.2	Very high	170 Å²	170	35.6 Å²	35.6	64%	0.642	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-55.4	-28.8	-177.8	-63	-177.3	-171.3	157.8	1.1	113.3	C450 K451 Q532 M533	R448-C450 PolarHBondContact O-N 3.04Å; R448-K451 WeakPolarHBondContact O-CB 3.3Å; R448-K451 PolarHBondContact O-N 2.93Å; R448-Q532 PolarHBondContact NE-O 3.24Å; R448-Q532 PolarHBondContact NH2-O 2.83Å; R448-M533 HydrophobicContact CG-CE 4.13Å; R448-M533 HydrophobicContact CG-SD 4.01Å
449	S	90.9	Very high	94.2	Very high	93 Å²	93	37.7 Å²	37.7	65%	0.65	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-71.7	-9.6	177.5	61.1	0	0	0	0	114.3	S447	S447-S449 PolarHBondContact O-N 3.41Å; S447-S449 PolarHBondContact OG-OG 3.15Å
450	C	90.9	Very high	94.3	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.041	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-94.3	-6.6	177.1	-60.5	0	0	0	0	113.8	L444 S447 R448 S452 F453 I454	L444-C450 HydrophobicContact CB-CB 4.25Å; L444-C450 VanDerWaalsContact O-CB 3.3Å; L444-C450 WeakPolarHBondContact O-CB 3.27Å; S447-C450 WeakPolarHBondContact O-CB 3.43Å; S447-C450 PolarHBondContact O-N 3.23Å; R448-C450 PolarHBondContact O-N 3.04Å; C450-S452 PolarHBondContact O-N 3.49Å; C450-F453 VanDerWaalsContact CA-CZ 3.4Å; C450-F453 HydrophobicContact CB-CD2 4.47Å; C450-F453 HydrophobicContact CB-CE1 4.3Å; C450-F453 HydrophobicContact CB-CE2 3.58Å; C450-F453 HydrophobicContact CB-CZ 3.46Å; C450-F453 VanDerWaalsContact CB-CZ 3.46Å; C450-F453 PolarHBondContact O-N 3.04Å; C450-F453 VanDerWaalsContact SG-CZ 3.55Å; C450-I454 CarbonylContact C-O 3.58Å; C450-I454 HydrophobicContact CB-CG2 4.08Å; C450-I454 PolarHBondContact O-N 3.4Å; C450-I454 VanDerWaalsContact O-O 3.12Å
451	K	92.2	Very high	94.4	Very high	91 Å²	91	39.5 Å²	39.5	40%	0.396	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-18.3	-174.1	-171.4	173.2	176.2	-178.1	0	114.7	R448 I454 I466 G534 I535	R448-K451 WeakPolarHBondContact O-CB 3.3Å; R448-K451 PolarHBondContact O-N 2.93Å; K451-I454 WeakPolarHBondContact CA-O 3.41Å; K451-I466 WeakPolarHBondContact O-CD1 3.43Å; K451-G534 PolarHBondContact NZ-O 2.82Å; K451-I535 HydrophobicContact CD-CD1 4.31Å
452	S	93.6	Very high	94.4	Very high	87 Å²	87	39.6 Å²	39.6	61%	0.608	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-24	176.4	51.1	0	0	0	0	114.4	C450 I466	C450-S452 PolarHBondContact O-N 3.49Å; S452-I466 WeakPolarHBondContact O-CG2 3.15Å
453	F	96.2	Very high	94.5	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.035	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-19.1	-179.1	49.4	-95.6	0	0	0	113.6	L444 C450 I466 D467 E470 V471 R474	L444-F453 HydrophobicContact CD1-CE2 4.23Å; L444-F453 HydrophobicContact CD2-CE2 4.26Å; C450-F453 VanDerWaalsContact CA-CZ 3.4Å; C450-F453 HydrophobicContact CB-CD2 4.47Å; C450-F453 HydrophobicContact CB-CE1 4.3Å; C450-F453 HydrophobicContact CB-CE2 3.58Å; C450-F453 HydrophobicContact CB-CZ 3.46Å; C450-F453 VanDerWaalsContact CB-CZ 3.46Å; C450-F453 PolarHBondContact O-N 3.04Å; C450-F453 VanDerWaalsContact SG-CZ 3.55Å; F453-I466 PolarHBondContact O-N 3.07Å; F453-D467 HydrophobicContact CB-CB 3.75Å; F453-D467 PolarHBondContact O-N 3.41Å; F453-D467 VanDerWaalsContact O-N 3.08Å; F453-E470 HydrophobicContact CB-CB 4.08Å; F453-E470 HydrophobicContact CB-CG 3.84Å; F453-E470 HydrophobicContact CD1-CG 3.74Å; F453-E470 HydrophobicContact CD2-CG 4.19Å; F453-E470 HydrophobicContact CE1-CG 4.36Å; F453-E470 HydrophobicContact CG-CB 4.41Å; F453-E470 HydrophobicContact CG-CG 3.65Å; F453-V471 HydrophobicContact CB-CG2 4.38Å; F453-V471 HydrophobicContact CD2-CG2 3.79Å; F453-R474 VanDerWaalsContact CE1-CZ 3.46Å
454	I	97.8	Very high	94.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	132	172.7	-173.1	172.6	0	0	0	110.9	L441 L444 L445 C450 K451 F463 K464 L465 V471	L441-I454 HydrophobicContact CB-CD1 4.48Å; L441-I454 HydrophobicContact CD2-CD1 3.73Å; L444-I454 HydrophobicContact CB-CG2 3.68Å; L444-I454 HydrophobicContact CD1-CG2 4.18Å; L445-I454 HydrophobicContact CD1-CD1 4.17Å; L445-I454 HydrophobicContact CD2-CD1 4.27Å; L445-I454 HydrophobicContact CD2-CG1 3.78Å; L445-I454 HydrophobicContact CG-CD1 3.85Å; L445-I454 HydrophobicContact CG-CG1 3.93Å; C450-I454 CarbonylContact C-O 3.58Å; C450-I454 HydrophobicContact CB-CG2 4.08Å; C450-I454 PolarHBondContact O-N 3.4Å; C450-I454 VanDerWaalsContact O-O 3.12Å; K451-I454 WeakPolarHBondContact CA-O 3.41Å; I454-F463 HydrophobicContact CD1-CD2 4.17Å; I454-F463 HydrophobicContact CD1-CE2 4.41Å; I454-F463 HydrophobicContact CG1-CD2 4.37Å; I454-K464 WeakPolarHBondContact CA-O 3.38Å; I454-L465 HydrophobicContact CD1-CD2 3.54Å; I454-L465 HydrophobicContact CG1-CD2 3.84Å; I454-V471 HydrophobicContact CB-CG2 3.96Å; I454-V471 HydrophobicContact CG2-CG2 4.39Å
455	S	96.9	Very high	94.9	Very high	22 Å²	22	41 Å²	41	15%	0.154	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.1	176.5	81.2	0	0	0	0	112.3	F463 K464	S455-F463 CarbonylContact O-C 3.57Å; S455-F463 VanDerWaalsContact O-CA 3.27Å; S455-F463 WeakPolarHBondContact O-CA 3.47Å; S455-F463 WeakPolarHBondContact O-CB 3.44Å; S455-K464 PolarHBondContact N-O 3.31Å; S455-K464 VanDerWaalsContact N-O 3.08Å; S455-K464 PolarHBondContact O-N 2.99Å
456	W	97.4	Very high	95	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	156.2	158.9	-55.2	105.1	0	0	0	110.6	L442 L445 W461 E462 F463 F514 L518 V529 H530 I535	L442-W456 HydrophobicContact CD1-CH2 3.84Å; L442-W456 HydrophobicContact CD1-CZ2 3.79Å; L445-W456 HydrophobicContact CB-CH2 4.38Å; L445-W456 HydrophobicContact CB-CZ2 3.64Å; L445-W456 HydrophobicContact CD1-CE3 4.47Å; L445-W456 HydrophobicContact CD1-CH2 3.95Å; L445-W456 HydrophobicContact CD1-CZ2 4.04Å; L445-W456 HydrophobicContact CD1-CZ3 4.17Å; L445-W456 HydrophobicContact CD2-CD2 3.99Å; L445-W456 HydrophobicContact CD2-CE3 4.49Å; L445-W456 HydrophobicContact CD2-CG 4.13Å; L445-W456 HydrophobicContact CG-CZ2 4.28Å; L445-W456 PolarHBondContact O-NE1 3.13Å; W456-W461 AromaticContact CH2-CE3 3.74Å; W456-W461 HydrophobicContact CH2-CE3 3.74Å; W456-W461 HydrophobicContact CH2-CZ3 4.3Å; W456-W461 HydrophobicContact CZ2-CE3 4.27Å; W456-W461 HydrophobicContact CZ2-CZ3 4.42Å; W456-W461 HydrophobicContact CZ3-CB 4.22Å; W456-W461 AromaticContact CZ3-CE3 3.91Å; W456-W461 HydrophobicContact CZ3-CE3 3.91Å; W456-E462 CarbonylContact C-O 3.54Å; W456-E462 WeakPolarHBondContact CA-O 3.44Å; W456-F463 HydrophobicContact CE3-CB 4.03Å; W456-F463 HydrophobicContact CZ3-CB 4.38Å; W456-F514 HydrophobicContact CH2-CD2 4.03Å; W456-F514 HydrophobicContact CH2-CE2 4.05Å; W456-F514 AromaticContact CZ3-CD2 3.98Å; W456-F514 HydrophobicContact CZ3-CD2 3.98Å; W456-F514 HydrophobicContact CZ3-CE2 4.26Å; W456-L518 HydrophobicContact CH2-CD1 4.09Å; W456-V529 HydrophobicContact CZ2-CG1 4.48Å; W456-H530 WeakPolarHBondContact CB-NE2 3.27Å; W456-H530 AromaticContact CG-CD2 3.83Å; W456-H530 AromaticContact CG-NE2 3.83Å; W456-I535 HydrophobicContact CB-CG1 4.37Å
457	T	95.9	Very high	95.2	Very high	51 Å²	51	46.3 Å²	46.3	31%	0.313	25%	0.254	S	S	.	.			trans	-95.7	-11.3	174.9	62.7	0	0	0	0	113.3	E462 K464 V511	T457-E462 HydrophobicContact CG2-CG 4.13Å; T457-E462 PolarHBondContact N-O 3.03Å; T457-E462 WeakPolarHBondContact OG1-CB 3.39Å; T457-E462 WeakPolarHBondContact OG1-CG 3.28Å; T457-E462 PolarHBondContact OG1-O 3Å; T457-E462 PolarHBondContact OG1-OE1 2.95Å; T457-K464 HydrophobicContact CG2-CB 4.02Å; T457-V511 HydrophobicContact CG2-CG1 4.34Å
458	G	94.9	Very high	95.7	Very high	20 Å²	20	44.8 Å²	44.8	21%	0.206	24%	0.243	C	C	.	.	S	Bend	trans	92.1	-3.6	-174.1	0	0	0	0	0	114.3	H530	G458-H530 VanDerWaalsContact C-CE1 3.4Å; G458-H530 VanDerWaalsContact CA-CE1 3.43Å; G458-H530 WeakPolarHBondContact CA-CE1 3.46Å
459	D	95.3	Very high	96.1	Very high	73 Å²	73	41.3 Å²	41.3	39%	0.39	24%	0.237	S	C	.	.	S	Bend	trans	-106.8	87.2	-177.6	169.2	3.8	0	0	0	109.8	E462 K508 R513	D459-E462 HydrophobicContact CB-CB 4.44Å; D459-E462 WeakPolarHBondContact O-CB 3.48Å; D459-E462 PolarHBondContact O-N 3.46Å; D459-E462 VanDerWaalsContact O-N 3.07Å; D459-K508 IonicContact OD2-NZ 2.65Å; D459-R513 PolarHBondContact O-NH1 3.01Å; D459-R513 IonicContact OD1-CZ 3.76Å; D459-R513 IonicContact OD1-NH1 3.83Å; D459-R513 PolarHBondContact OD1-NH1 3.44Å; D459-R513 IonicContact OD1-NH2 2.85Å; D459-R513 PolarHBondContact OD1-NH2 2.84Å; D459-R513 IonicContact OD2-CZ 3.07Å; D459-R513 IonicContact OD2-NH1 2.69Å; D459-R513 IonicContact OD2-NH2 2.72Å; D459-R513 PolarHBondContact OD2-NH2 3.05Å
460	G	96.2	Very high	96.5	Very high	22 Å²	22	38.5 Å²	38.5	23%	0.227	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-139.8	-173.8	0	0	0	0	0	112.2	E462 H530	G460-E462 PolarHBondContact O-N 2.96Å; G460-E462 VanDerWaalsContact O-N 3.07Å; G460-H530 PolarHBondContact O-CE1 2.79Å; G460-H530 PolarHBondContact O-NE2 2.69Å
461	W	97	Very high	96.8	Very high	29 Å²	29	38.2 Å²	38.2	11%	0.11	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	31.5	176.4	-54.7	114.5	0	0	0	114.4	W456 R513 F514 L518 L522 A526 V529	W456-W461 AromaticContact CH2-CE3 3.74Å; W456-W461 HydrophobicContact CH2-CE3 3.74Å; W456-W461 HydrophobicContact CH2-CZ3 4.3Å; W456-W461 HydrophobicContact CZ2-CE3 4.27Å; W456-W461 HydrophobicContact CZ2-CZ3 4.42Å; W456-W461 HydrophobicContact CZ3-CB 4.22Å; W456-W461 AromaticContact CZ3-CE3 3.91Å; W456-W461 HydrophobicContact CZ3-CE3 3.91Å; W461-R513 WeakPolarHBondContact O-CA 3.38Å; W461-F514 HydrophobicContact CB-CB 3.95Å; W461-F514 PolarHBondContact O-N 2.82Å; W461-L518 HydrophobicContact CB-CD1 4.37Å; W461-L518 HydrophobicContact CD2-CB 3.77Å; W461-L518 HydrophobicContact CD2-CD1 3.91Å; W461-L518 HydrophobicContact CD2-CG 4.36Å; W461-L518 HydrophobicContact CE3-CB 4.14Å; W461-L518 HydrophobicContact CE3-CD1 3.81Å; W461-L518 HydrophobicContact CG-CB 4.25Å; W461-L518 HydrophobicContact CG-CD1 4.18Å; W461-L518 HydrophobicContact CH2-CB 4.14Å; W461-L518 HydrophobicContact CZ2-CB 3.77Å; W461-L518 HydrophobicContact CZ3-CB 4.31Å; W461-L518 HydrophobicContact CZ3-CD1 4.38Å; W461-L522 HydrophobicContact CH2-CD1 3.82Å; W461-L522 HydrophobicContact CZ3-CD1 3.95Å; W461-A526 HydrophobicContact CD2-CB 3.81Å; W461-A526 HydrophobicContact CE3-CB 4.01Å; W461-A526 HydrophobicContact CG-CB 4.37Å; W461-A526 HydrophobicContact CH2-CB 4.24Å; W461-A526 HydrophobicContact CZ2-CB 4.04Å; W461-A526 HydrophobicContact CZ3-CB 4.22Å; W461-V529 HydrophobicContact CH2-CB 4.37Å; W461-V529 HydrophobicContact CH2-CG2 3.9Å; W461-V529 HydrophobicContact CZ3-CB 4.1Å; W461-V529 HydrophobicContact CZ3-CG1 4.33Å; W461-V529 HydrophobicContact CZ3-CG2 4Å
462	E	98.2	Very high	97.1	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	135.4	173.9	-170.1	-176.4	91.9	0	0	112.4	W456 T457 D459 G460 T505 K508 V511 Y512 R513	W456-E462 CarbonylContact C-O 3.54Å; W456-E462 WeakPolarHBondContact CA-O 3.44Å; T457-E462 HydrophobicContact CG2-CG 4.13Å; T457-E462 PolarHBondContact N-O 3.03Å; T457-E462 WeakPolarHBondContact OG1-CB 3.39Å; T457-E462 WeakPolarHBondContact OG1-CG 3.28Å; T457-E462 PolarHBondContact OG1-O 3Å; T457-E462 PolarHBondContact OG1-OE1 2.95Å; D459-E462 HydrophobicContact CB-CB 4.44Å; D459-E462 WeakPolarHBondContact O-CB 3.48Å; D459-E462 PolarHBondContact O-N 3.46Å; D459-E462 VanDerWaalsContact O-N 3.07Å; G460-E462 PolarHBondContact O-N 2.96Å; G460-E462 VanDerWaalsContact O-N 3.07Å; E462-T505 WeakPolarHBondContact OE2-CB 3.48Å; E462-T505 VanDerWaalsContact OE2-CG2 3.28Å; E462-T505 WeakPolarHBondContact OE2-CG2 3.48Å; E462-T505 PolarHBondContact OE2-OG1 2.96Å; E462-K508 IonicContact OE1-NZ 2.87Å; E462-K508 PolarHBondContact OE1-NZ 2.95Å; E462-K508 IonicContact OE2-NZ 2.69Å; E462-K508 PolarHBondContact OE2-NZ 3.36Å; E462-V511 HydrophobicContact CG-CG1 3.39Å; E462-V511 WeakPolarHBondContact OE1-CG1 3.29Å; E462-Y512 WeakPolarHBondContact CA-O 3.33Å; E462-Y512 WeakPolarHBondContact CG-O 3.43Å; E462-R513 HydrophobicContact CB-CB 4.29Å; E462-R513 HydrophobicContact CB-CG 4.18Å; E462-R513 HydrophobicContact CG-CB 4.41Å; E462-R513 IonicContact OE2-CZ 3.22Å; E462-R513 IonicContact OE2-NE 2.67Å; E462-R513 IonicContact OE2-NH2 2.72Å; E462-R513 PolarHBondContact OE2-NH2 3.42Å
463	F	98.3	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.7	179.7	69.8	-86.1	0	0	0	112.9	L441 L445 I454 S455 W456 L465 I502 V511 Y512 F514	L441-F463 HydrophobicContact CD1-CE2 4.5Å; L441-F463 HydrophobicContact CD1-CZ 4.4Å; L445-F463 HydrophobicContact CD1-CB 3.72Å; L445-F463 HydrophobicContact CD1-CD1 4.02Å; L445-F463 HydrophobicContact CD1-CD2 3.91Å; L445-F463 HydrophobicContact CD1-CE2 4.5Å; L445-F463 HydrophobicContact CD1-CG 3.63Å; L445-F463 HydrophobicContact CD2-CB 3.78Å; L445-F463 HydrophobicContact CD2-CG 4.49Å; L445-F463 HydrophobicContact CG-CB 4.41Å; I454-F463 HydrophobicContact CD1-CD2 4.17Å; I454-F463 HydrophobicContact CD1-CE2 4.41Å; I454-F463 HydrophobicContact CG1-CD2 4.37Å; S455-F463 CarbonylContact O-C 3.57Å; S455-F463 VanDerWaalsContact O-CA 3.27Å; S455-F463 WeakPolarHBondContact O-CA 3.47Å; S455-F463 WeakPolarHBondContact O-CB 3.44Å; W456-F463 HydrophobicContact CE3-CB 4.03Å; W456-F463 HydrophobicContact CZ3-CB 4.38Å; F463-L465 HydrophobicContact CD2-CD2 4.19Å; F463-L465 HydrophobicContact CE2-CD2 3.96Å; F463-I502 HydrophobicContact CE1-CD1 4.4Å; F463-I502 HydrophobicContact CE1-CG1 4.39Å; F463-I502 HydrophobicContact CE1-CG2 4.28Å; F463-I502 HydrophobicContact CZ-CD1 4.16Å; F463-I502 HydrophobicContact CZ-CG2 4.28Å; F463-V511 WeakPolarHBondContact O-CA 3.5Å; F463-V511 WeakPolarHBondContact O-CG1 3.29Å; F463-Y512 WeakPolarHBondContact CD1-O 3.48Å; F463-Y512 HydrophobicContact CE2-CD2 4.49Å; F463-Y512 VanDerWaalsContact CZ-CB 3.49Å; F463-Y512 HydrophobicContact CZ-CG 4.33Å; F463-Y512 PolarHBondContact N-O 2.99Å; F463-Y512 PolarHBondContact O-N 3Å; F463-F514 AromaticContact CD1-CD2 3.67Å; F463-F514 HydrophobicContact CD1-CD2 3.67Å; F463-F514 AromaticContact CD1-CE2 3.61Å; F463-F514 HydrophobicContact CD1-CE2 3.61Å; F463-F514 AromaticContact CE1-CD2 3.52Å; F463-F514 HydrophobicContact CE1-CD2 3.52Å; F463-F514 AromaticContact CE1-CE2 3.35Å; F463-F514 HydrophobicContact CE1-CE2 3.35Å; F463-F514 HydrophobicContact CE1-CG 4.43Å; F463-F514 HydrophobicContact CE1-CZ 4.17Å; F463-F514 HydrophobicContact CZ-CE2 4.11Å
464	K	97.9	Very high	97.3	Very high	93 Å²	93	39.8 Å²	39.8	40%	0.404	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.9	178.7	-175	174	177.5	-172.9	0	109.9	I454 S455 T457 I466 V511	I454-K464 WeakPolarHBondContact CA-O 3.38Å; S455-K464 PolarHBondContact N-O 3.31Å; S455-K464 VanDerWaalsContact N-O 3.08Å; S455-K464 PolarHBondContact O-N 2.99Å; T457-K464 HydrophobicContact CG2-CB 4.02Å; K464-I466 HydrophobicContact CG-CG1 4.48Å; K464-I466 PolarHBondContact O-N 3.06Å; K464-V511 HydrophobicContact CB-CG2 3.97Å; K464-V511 HydrophobicContact CD-CG2 4.09Å; K464-V511 HydrophobicContact CG-CG2 3.83Å
465	L	98.2	Very high	97.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	113.6	161	-43.4	-179.4	0	0	0	106.9	L441 I454 F463 P468 V471 Y486 L489 Y510 Y512	L441-L465 HydrophobicContact CD2-CD2 4.25Å; I454-L465 HydrophobicContact CD1-CD2 3.54Å; I454-L465 HydrophobicContact CG1-CD2 3.84Å; F463-L465 HydrophobicContact CD2-CD2 4.19Å; F463-L465 HydrophobicContact CE2-CD2 3.96Å; L465-P468 HydrophobicContact CB-CB 4.25Å; L465-P468 HydrophobicContact CB-CG 4.16Å; L465-P468 HydrophobicContact CD1-CB 4.31Å; L465-V471 HydrophobicContact CD2-CG1 4.23Å; L465-V471 HydrophobicContact CD2-CG2 4.35Å; L465-Y486 HydrophobicContact CD1-CD2 4.21Å; L465-Y486 HydrophobicContact CD1-CE2 3.75Å; L465-L489 HydrophobicContact CD1-CD2 4.47Å; L465-Y510 PolarHBondContact N-O 2.91Å; L465-Y510 WeakPolarHBondContact O-CB 3.37Å; L465-Y512 HydrophobicContact CD1-CE2 4.49Å
466	I	97.6	Very high	97.3	Very high	83 Å²	83	40 Å²	40	43%	0.426	20%	0.199	S	C	.	.	S	Bend	trans	-83	-44.5	-179.9	-63.5	161.4	0	0	0	109.2	K451 S452 F453 K464	K451-I466 WeakPolarHBondContact O-CD1 3.43Å; S452-I466 WeakPolarHBondContact O-CG2 3.15Å; F453-I466 PolarHBondContact O-N 3.07Å; K464-I466 HydrophobicContact CG-CG1 4.48Å; K464-I466 PolarHBondContact O-N 3.06Å
467	D	97.6	Very high	97.2	Very high	70 Å²	70	44.6 Å²	44.6	37%	0.374	23%	0.228	S	C	.	.	S	Bend	trans	-118.5	97.2	165.9	-179	-17	0	0	0	108.2	F453 D469 E470 V471	F453-D467 HydrophobicContact CB-CB 3.75Å; F453-D467 PolarHBondContact O-N 3.41Å; F453-D467 VanDerWaalsContact O-N 3.08Å; D467-D469 PolarHBondContact O-N 3.35Å; D467-D469 PolarHBondContact OD1-N 3.4Å; D467-E470 HydrophobicContact CB-CB 4.07Å; D467-E470 VanDerWaalsContact CG-CB 3.46Å; D467-E470 PolarHBondContact OD1-N 3.2Å; D467-E470 WeakPolarHBondContact OD2-CB 3.47Å; D467-V471 WeakPolarHBondContact O-CG2 3.44Å; D467-V471 PolarHBondContact O-N 3.25Å
468	P	98	Very high	97.1	Very high	13 Å²	13	47.1 Å²	47.1	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-67.3	-22.6	-178.5	-17.5	30.5	0	0	0	113.9	L465 A472 Y486 Y510	L465-P468 HydrophobicContact CB-CB 4.25Å; L465-P468 HydrophobicContact CB-CG 4.16Å; L465-P468 HydrophobicContact CD1-CB 4.31Å; P468-A472 WeakPolarHBondContact O-CB 3.46Å; P468-A472 PolarHBondContact O-N 3.25Å; P468-Y486 HydrophobicContact CB-CD2 3.41Å; P468-Y486 VanDerWaalsContact CB-CD2 3.41Å; P468-Y486 HydrophobicContact CB-CE2 3.96Å; P468-Y486 HydrophobicContact CB-CG 3.74Å; P468-Y510 HydrophobicContact CB-CD1 4.04Å; P468-Y510 HydrophobicContact CB-CE1 4.11Å; P468-Y510 HydrophobicContact CG-CD1 3.44Å; P468-Y510 VanDerWaalsContact CG-CD1 3.44Å; P468-Y510 HydrophobicContact CG-CD2 3.94Å; P468-Y510 HydrophobicContact CG-CE1 3.57Å; P468-Y510 HydrophobicContact CG-CE2 4.05Å; P468-Y510 HydrophobicContact CG-CG 3.64Å
469	D	98	Very high	97	Very high	96 Å²	96	49.1 Å²	49.1	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-89.2	-33.6	-177	-77.6	-53.8	0	0	0	112	D467 A472 R473 Y486	D467-D469 PolarHBondContact O-N 3.35Å; D467-D469 PolarHBondContact OD1-N 3.4Å; D469-A472 PolarHBondContact O-N 3.29Å; D469-R473 VanDerWaalsContact O-CB 3.28Å; D469-R473 WeakPolarHBondContact O-CB 3.43Å; D469-R473 PolarHBondContact O-N 2.69Å; D469-Y486 PolarHBondContact OD1-N 2.74Å
470	E	97.8	Very high	97	Very high	34 Å²	34	52.5 Å²	52.5	16%	0.159	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-42.3	166.1	172.4	61.9	176.5	0	0	111.2	F453 D467 A472 R473 R474	F453-E470 HydrophobicContact CB-CB 4.08Å; F453-E470 HydrophobicContact CB-CG 3.84Å; F453-E470 HydrophobicContact CD1-CG 3.74Å; F453-E470 HydrophobicContact CD2-CG 4.19Å; F453-E470 HydrophobicContact CE1-CG 4.36Å; F453-E470 HydrophobicContact CG-CB 4.41Å; F453-E470 HydrophobicContact CG-CG 3.65Å; D467-E470 HydrophobicContact CB-CB 4.07Å; D467-E470 VanDerWaalsContact CG-CB 3.46Å; D467-E470 PolarHBondContact OD1-N 3.2Å; D467-E470 WeakPolarHBondContact OD2-CB 3.47Å; E470-A472 VanDerWaalsContact C-N 3.35Å; E470-A472 PolarHBondContact O-N 3.07Å; E470-R473 PolarHBondContact O-N 2.65Å; E470-R473 IonicContact OE1-CZ 3.94Å; E470-R473 IonicContact OE1-NH2 2.87Å; E470-R473 PolarHBondContact OE1-NH2 3.3Å; E470-R473 IonicContact OE2-CZ 3.14Å; E470-R473 IonicContact OE2-NE 2.71Å; E470-R473 PolarHBondContact OE2-NE 2.81Å; E470-R473 IonicContact OE2-NH2 2.77Å; E470-R473 PolarHBondContact OE2-NH2 2.67Å; E470-R474 WeakPolarHBondContact O-CG 3.36Å; E470-R474 PolarHBondContact O-N 3.18Å; E470-R474 IonicContact OE1-CZ 3.2Å; E470-R474 IonicContact OE1-NE 2.8Å; E470-R474 PolarHBondContact OE1-NE 3.24Å; E470-R474 IonicContact OE1-NH2 2.79Å; E470-R474 PolarHBondContact OE1-NH2 3.37Å
471	V	98.1	Very high	96.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-44.9	172.9	173.6	0	0	0	0	110.9	L441 L444 F453 I454 L465 D467 R474 W475 L489	L441-V471 HydrophobicContact CD2-CG1 3.66Å; L444-V471 HydrophobicContact CD1-CG1 4.46Å; F453-V471 HydrophobicContact CB-CG2 4.38Å; F453-V471 HydrophobicContact CD2-CG2 3.79Å; I454-V471 HydrophobicContact CB-CG2 3.96Å; I454-V471 HydrophobicContact CG2-CG2 4.39Å; L465-V471 HydrophobicContact CD2-CG1 4.23Å; L465-V471 HydrophobicContact CD2-CG2 4.35Å; D467-V471 WeakPolarHBondContact O-CG2 3.44Å; D467-V471 PolarHBondContact O-N 3.25Å; V471-R474 PolarHBondContact O-N 3.06Å; V471-W475 WeakPolarHBondContact O-CB 3.32Å; V471-W475 PolarHBondContact O-N 3.33Å; V471-L489 HydrophobicContact CG1-CD1 3.97Å
472	A	98.4	Very high	96.8	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.8	-35.3	177.7	0	0	0	0	0	113.3	P468 D469 E470 W475 G476 M484 L489	P468-A472 WeakPolarHBondContact O-CB 3.46Å; P468-A472 PolarHBondContact O-N 3.25Å; D469-A472 PolarHBondContact O-N 3.29Å; E470-A472 VanDerWaalsContact C-N 3.35Å; E470-A472 PolarHBondContact O-N 3.07Å; A472-W475 PolarHBondContact O-N 3.23Å; A472-G476 PolarHBondContact O-N 3.28Å; A472-M484 HydrophobicContact CB-CG 4.47Å; A472-M484 WeakPolarHBondContact O-CG 3.27Å; A472-L489 HydrophobicContact CB-CB 4.36Å; A472-L489 HydrophobicContact CB-CD1 4.11Å
473	R	97.8	Very high	96.7	Very high	131 Å²	131	70.2 Å²	70.2	49%	0.494	34%	0.337	S	S	.	.	H	α-helix	trans	-65	-47	174.1	-171.1	-167.9	67.1	84.2	2.5	110.7	D469 E470 W475 G476 V477	D469-R473 VanDerWaalsContact O-CB 3.28Å; D469-R473 WeakPolarHBondContact O-CB 3.43Å; D469-R473 PolarHBondContact O-N 2.69Å; E470-R473 PolarHBondContact O-N 2.65Å; E470-R473 IonicContact OE1-CZ 3.94Å; E470-R473 IonicContact OE1-NH2 2.87Å; E470-R473 PolarHBondContact OE1-NH2 3.3Å; E470-R473 IonicContact OE2-CZ 3.14Å; E470-R473 IonicContact OE2-NE 2.71Å; E470-R473 PolarHBondContact OE2-NE 2.81Å; E470-R473 IonicContact OE2-NH2 2.77Å; E470-R473 PolarHBondContact OE2-NH2 2.67Å; R473-W475 PolarHBondContact O-N 2.88Å; R473-G476 CarbonylContact O-C 3.24Å; R473-G476 WeakPolarHBondContact O-CA 3.37Å; R473-G476 PolarHBondContact O-N 3.19Å; R473-G476 VanDerWaalsContact O-N 3.11Å; R473-V477 WeakPolarHBondContact O-CG2 3.45Å; R473-V477 PolarHBondContact O-N 3.22Å
474	R	97.1	Very high	96.6	Very high	88 Å²	88	71.8 Å²	71.8	33%	0.332	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-40.5	175.7	-70	-173.9	-174.8	-132.5	-3.7	112.2	F440 F453 E470 V471 G476 V477 R478	F440-R474 HydrophobicContact CZ-CB 3.77Å; F453-R474 VanDerWaalsContact CE1-CZ 3.46Å; E470-R474 WeakPolarHBondContact O-CG 3.36Å; E470-R474 PolarHBondContact O-N 3.18Å; E470-R474 IonicContact OE1-CZ 3.2Å; E470-R474 IonicContact OE1-NE 2.8Å; E470-R474 PolarHBondContact OE1-NE 3.24Å; E470-R474 IonicContact OE1-NH2 2.79Å; E470-R474 PolarHBondContact OE1-NH2 3.37Å; V471-R474 PolarHBondContact O-N 3.06Å; R474-G476 VanDerWaalsContact C-N 3.32Å; R474-G476 PolarHBondContact O-N 2.95Å; R474-V477 PolarHBondContact O-N 3.3Å; R474-R478 WeakPolarHBondContact O-CB 3.25Å; R474-R478 PolarHBondContact O-N 3.34Å
475	W	97.2	Very high	96.6	Very high	26 Å²	26	70.2 Å²	70.2	10%	0.098	34%	0.34	C	S	.	.	H	α-helix	trans	-62.8	-39.2	171.8	179.1	-129.1	0	0	0	112.1	I435 L437 F440 V471 A472 R473 R478 K479 L489	I435-W475 HydrophobicContact CG2-CZ3 4.45Å; I435-W475 WeakPolarHBondContact O-CH2 3.48Å; L437-W475 HydrophobicContact CB-CH2 3.97Å; L437-W475 HydrophobicContact CB-CZ2 3.7Å; L437-W475 HydrophobicContact CD1-CD2 3.8Å; L437-W475 HydrophobicContact CD1-CE3 4.28Å; L437-W475 HydrophobicContact CD1-CG 3.98Å; L437-W475 HydrophobicContact CD1-CZ2 4.28Å; F440-W475 HydrophobicContact CB-CE3 3.84Å; F440-W475 HydrophobicContact CB-CZ3 3.68Å; F440-W475 HydrophobicContact CD1-CB 4.14Å; F440-W475 HydrophobicContact CD1-CD2 4.16Å; F440-W475 AromaticContact CD1-CE3 3.51Å; F440-W475 HydrophobicContact CD1-CE3 3.51Å; F440-W475 HydrophobicContact CD1-CG 4.44Å; F440-W475 HydrophobicContact CD1-CZ3 4.24Å; F440-W475 HydrophobicContact CD2-CE3 4.17Å; F440-W475 HydrophobicContact CE1-CB 3.61Å; F440-W475 HydrophobicContact CE1-CE3 4.09Å; F440-W475 HydrophobicContact CE1-CG 4.38Å; F440-W475 AromaticContact CG-CE3 3.55Å; F440-W475 HydrophobicContact CG-CE3 3.55Å; F440-W475 AromaticContact CG-CZ3 3.92Å; F440-W475 HydrophobicContact CG-CZ3 3.92Å; F440-W475 HydrophobicContact CZ-CB 4.15Å; V471-W475 WeakPolarHBondContact O-CB 3.32Å; V471-W475 PolarHBondContact O-N 3.33Å; A472-W475 PolarHBondContact O-N 3.23Å; R473-W475 PolarHBondContact O-N 2.88Å; W475-R478 HydrophobicContact CE3-CB 4.39Å; W475-R478 HydrophobicContact CE3-CG 4.44Å; W475-R478 HydrophobicContact CZ3-CG 4.49Å; W475-R478 PolarHBondContact O-N 3.1Å; W475-K479 HydrophobicContact CD2-CG 3.9Å; W475-K479 HydrophobicContact CE3-CD 4.28Å; W475-K479 HydrophobicContact CE3-CG 3.75Å; W475-K479 HydrophobicContact CH2-CD 3.5Å; W475-K479 VanDerWaalsContact CH2-CD 3.5Å; W475-K479 HydrophobicContact CH2-CG 3.53Å; W475-K479 HydrophobicContact CZ2-CD 4.07Å; W475-K479 HydrophobicContact CZ2-CG 3.66Å; W475-K479 HydrophobicContact CZ3-CD 3.62Å; W475-K479 HydrophobicContact CZ3-CG 3.57Å; W475-K479 PolarHBondContact O-N 3.36Å; W475-K479 VanDerWaalsContact O-N 3.09Å; W475-L489 HydrophobicContact CB-CD1 3.91Å; W475-L489 HydrophobicContact CG-CD1 4.11Å
476	G	96.9	Very high	96.7	Very high	2 Å²	2	71.5 Å²	71.5	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-56.4	-52	171.7	0	0	0	0	0	112.1	A472 R473 R474 K479 N480 K481 M484	A472-G476 PolarHBondContact O-N 3.28Å; R473-G476 CarbonylContact O-C 3.24Å; R473-G476 WeakPolarHBondContact O-CA 3.37Å; R473-G476 PolarHBondContact O-N 3.19Å; R473-G476 VanDerWaalsContact O-N 3.11Å; R474-G476 VanDerWaalsContact C-N 3.32Å; R474-G476 PolarHBondContact O-N 2.95Å; G476-K479 PolarHBondContact O-N 2.86Å; G476-N480 CarbonylContact O-C 3.52Å; G476-N480 WeakPolarHBondContact O-CA 3.23Å; G476-N480 PolarHBondContact O-N 2.98Å; G476-K481 VanDerWaalsContact CA-O 3.3Å; G476-K481 WeakPolarHBondContact CA-O 3.41Å; G476-K481 PolarHBondContact O-N 2.98Å; G476-M484 VanDerWaalsContact CA-CB 3.47Å
477	V	95.2	Very high	96.6	Very high	102 Å²	102	73 Å²	73	62%	0.618	35%	0.35	S	S	*	.	H	α-helix	trans	-58.1	-50.7	174.8	174.9	0	0	0	0	110.7	R473 R474 K479 N480	R473-V477 WeakPolarHBondContact O-CG2 3.45Å; R473-V477 PolarHBondContact O-N 3.22Å; R474-V477 PolarHBondContact O-N 3.3Å; V477-K479 PolarHBondContact O-N 2.97Å; V477-K479 VanDerWaalsContact O-N 3.09Å; V477-N480 PolarHBondContact O-N 3.34Å; V477-N480 VanDerWaalsContact O-N 3.09Å
478	R	93.9	Very high	96.6	Very high	103 Å²	103	75 Å²	75	39%	0.389	36%	0.356	S	S	.	.	H	α-helix	trans	-58.9	-24.9	-178	-175.5	59.3	66.1	84.1	4.2	114.3	I435 F440 E443 R474 W475	I435-R478 HydrophobicContact CG2-CG 4.01Å; F440-R478 HydrophobicContact CD2-CB 4.19Å; F440-R478 HydrophobicContact CD2-CG 3.87Å; F440-R478 HydrophobicContact CE2-CB 3.99Å; F440-R478 HydrophobicContact CE2-CG 4.15Å; E443-R478 IonicContact OE1-CZ 2.69Å; E443-R478 VanDerWaalsContact OE1-CZ 3.28Å; E443-R478 IonicContact OE1-NH1 3.87Å; E443-R478 PolarHBondContact OE1-NH1 3.15Å; E443-R478 IonicContact OE1-NH2 3.72Å; E443-R478 PolarHBondContact OE1-NH2 3.36Å; E443-R478 IonicContact OE2-CZ 3.28Å; E443-R478 IonicContact OE2-NH1 2.98Å; E443-R478 PolarHBondContact OE2-NH1 3.31Å; E443-R478 IonicContact OE2-NH2 2.68Å; R474-R478 WeakPolarHBondContact O-CB 3.25Å; R474-R478 PolarHBondContact O-N 3.34Å; W475-R478 HydrophobicContact CE3-CB 4.39Å; W475-R478 HydrophobicContact CE3-CG 4.44Å; W475-R478 HydrophobicContact CZ3-CG 4.49Å; W475-R478 PolarHBondContact O-N 3.1Å
479	K	93.1	Very high	96.6	Very high	63 Å²	63	74.5 Å²	74.5	27%	0.274	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	10.1	178.9	-56	-62.5	-75	-168.2	0	114	I435 W475 G476 V477 K481	I435-K479 HydrophobicContact CG2-CD 3.93Å; I435-K479 PolarHBondContact O-NZ 2.82Å; W475-K479 HydrophobicContact CD2-CG 3.9Å; W475-K479 HydrophobicContact CE3-CD 4.28Å; W475-K479 HydrophobicContact CE3-CG 3.75Å; W475-K479 HydrophobicContact CH2-CD 3.5Å; W475-K479 VanDerWaalsContact CH2-CD 3.5Å; W475-K479 HydrophobicContact CH2-CG 3.53Å; W475-K479 HydrophobicContact CZ2-CD 4.07Å; W475-K479 HydrophobicContact CZ2-CG 3.66Å; W475-K479 HydrophobicContact CZ3-CD 3.62Å; W475-K479 HydrophobicContact CZ3-CG 3.57Å; W475-K479 PolarHBondContact O-N 3.36Å; W475-K479 VanDerWaalsContact O-N 3.09Å; G476-K479 PolarHBondContact O-N 2.86Å; V477-K479 PolarHBondContact O-N 2.97Å; V477-K479 VanDerWaalsContact O-N 3.09Å; K479-K481 HydrophobicContact CB-CG 4.41Å; K479-K481 PolarHBondContact O-N 2.82Å
480	N	93.5	Very high	96.6	Very high	144 Å²	144	70.2 Å²	70.2	77%	0.77	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	52.7	-171.3	-165.4	12.4	0	0	0	113.6	G476 V477	G476-N480 CarbonylContact O-C 3.52Å; G476-N480 WeakPolarHBondContact O-CA 3.23Å; G476-N480 PolarHBondContact O-N 2.98Å; V477-N480 PolarHBondContact O-N 3.34Å; V477-N480 VanDerWaalsContact O-N 3.09Å
481	K	95.3	Very high	96.6	Very high	125 Å²	125	73.4 Å²	73.4	54%	0.543	34%	0.341	S	S	.	.			trans	-125.3	82.3	177.3	-66.1	-168.1	178.8	-169.4	0	109.6	G476 K479 K483 M484	G476-K481 VanDerWaalsContact CA-O 3.3Å; G476-K481 WeakPolarHBondContact CA-O 3.41Å; G476-K481 PolarHBondContact O-N 2.98Å; K479-K481 HydrophobicContact CB-CG 4.41Å; K479-K481 PolarHBondContact O-N 2.82Å; K481-K483 PolarHBondContact O-N 3.42Å; K481-K483 VanDerWaalsContact O-N 3.15Å; K481-M484 HydrophobicContact CB-CB 4.45Å; K481-M484 HydrophobicContact CB-CE 4.09Å; K481-M484 HydrophobicContact CD-CE 4Å; K481-M484 VanDerWaalsContact O-CB 3.23Å; K481-M484 WeakPolarHBondContact O-CB 3.26Å; K481-M484 PolarHBondContact O-N 2.84Å
482	P	94.3	Very high	96.5	Very high	121 Å²	121	74.4 Å²	74.4	79%	0.786	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.8	-176.3	25	-34.9	0	0	0	113.8	M484	P482-M484 VanDerWaalsContact C-N 3.3Å; P482-M484 PolarHBondContact O-N 3.47Å
483	K	96.4	Very high	96.5	Very high	180 Å²	180	74.4 Å²	74.4	78%	0.783	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	25.2	172	-59.8	-172.7	179.8	-176.9	0	113	K481 K488	K481-K483 PolarHBondContact O-N 3.42Å; K481-K483 VanDerWaalsContact O-N 3.15Å; K483-K488 PolarHBondContact O-NZ 3.31Å
484	M	97.2	Very high	96.5	Very high	32 Å²	32	73 Å²	73	16%	0.158	35%	0.346	C	S	.	.			trans	-75.3	142.1	169.1	-169.5	64.1	69.8	0	0	109.8	A472 G476 K481 P482 K488	A472-M484 HydrophobicContact CB-CG 4.47Å; A472-M484 WeakPolarHBondContact O-CG 3.27Å; G476-M484 VanDerWaalsContact CA-CB 3.47Å; K481-M484 HydrophobicContact CB-CB 4.45Å; K481-M484 HydrophobicContact CB-CE 4.09Å; K481-M484 HydrophobicContact CD-CE 4Å; K481-M484 VanDerWaalsContact O-CB 3.23Å; K481-M484 WeakPolarHBondContact O-CB 3.26Å; K481-M484 PolarHBondContact O-N 2.84Å; P482-M484 VanDerWaalsContact C-N 3.3Å; P482-M484 PolarHBondContact O-N 3.47Å; M484-K488 HydrophobicContact SD-CB 3.73Å
485	N	98	Very high	96.5	Very high	60 Å²	60	75.5 Å²	75.5	32%	0.321	36%	0.356	S	S	.	.			trans	-153.2	167.8	176.8	62.8	-24.9	0	0	0	108.9	E487 K488 L489	N485-E487 PolarHBondContact O-N 2.77Å; N485-E487 VanDerWaalsContact O-N 3.14Å; N485-K488 PolarHBondContact O-N 3.17Å; N485-K488 WeakPolarHBondContact OD1-CD 3.38Å; N485-K488 WeakPolarHBondContact OD1-CE 3.29Å; N485-K488 WeakPolarHBondContact OD1-CG 3.47Å; N485-K488 PolarHBondContact OD1-NZ 3.19Å; N485-L489 PolarHBondContact O-N 3.3Å
486	Y	98.3	Very high	96.4	Very high	28 Å²	28	75.5 Å²	75.5	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-54.3	-38.1	-174.8	174.8	-103.9	0	0	0	113.3	L465 P468 D469 K488 L489 S490 Y510 Y512	L465-Y486 HydrophobicContact CD1-CD2 4.21Å; L465-Y486 HydrophobicContact CD1-CE2 3.75Å; P468-Y486 HydrophobicContact CB-CD2 3.41Å; P468-Y486 VanDerWaalsContact CB-CD2 3.41Å; P468-Y486 HydrophobicContact CB-CE2 3.96Å; P468-Y486 HydrophobicContact CB-CG 3.74Å; D469-Y486 PolarHBondContact OD1-N 2.74Å; Y486-K488 VanDerWaalsContact C-N 3.28Å; Y486-K488 PolarHBondContact O-N 2.82Å; Y486-L489 CarbonylContact O-C 3.52Å; Y486-L489 PolarHBondContact O-N 2.93Å; Y486-L489 VanDerWaalsContact O-N 3.1Å; Y486-S490 WeakPolarHBondContact O-CB 3.27Å; Y486-S490 PolarHBondContact O-N 2.84Å; Y486-Y510 HydrophobicContact CD1-CE1 4.1Å; Y486-Y510 HydrophobicContact CE1-CD1 4.02Å; Y486-Y510 AromaticContact CE1-CE1 3.64Å; Y486-Y510 HydrophobicContact CE1-CE1 3.64Å; Y486-Y510 HydrophobicContact CE2-CD1 4.09Å; Y486-Y510 HydrophobicContact CE2-CE1 4.4Å; Y486-Y510 AromaticContact CZ-CD1 3.65Å; Y486-Y510 AromaticContact CZ-CE1 3.79Å; Y486-Y512 PolarHBondContact OH-OH 2.79Å
487	E	97.1	Very high	96.4	Very high	114 Å²	114	78.4 Å²	78.4	53%	0.533	37%	0.367	S	S	.	.	H	α-helix	trans	-59	-34.2	178.7	-74.6	-54.4	103	0	0	114.7	N485 S490 R491	N485-E487 PolarHBondContact O-N 2.77Å; N485-E487 VanDerWaalsContact O-N 3.14Å; E487-S490 PolarHBondContact O-OG 3.35Å; E487-R491 PolarHBondContact O-N 2.9Å
488	K	97.7	Very high	96.3	Very high	114 Å²	114	80.5 Å²	80.5	50%	0.496	38%	0.375	S	S	.	.	H	α-helix	trans	-80.1	-35.3	176.1	-68.6	165.5	-167	135.7	0	111.5	K483 M484 N485 Y486 R491 G492	K483-K488 PolarHBondContact O-NZ 3.31Å; M484-K488 HydrophobicContact SD-CB 3.73Å; N485-K488 PolarHBondContact O-N 3.17Å; N485-K488 WeakPolarHBondContact OD1-CD 3.38Å; N485-K488 WeakPolarHBondContact OD1-CE 3.29Å; N485-K488 WeakPolarHBondContact OD1-CG 3.47Å; N485-K488 PolarHBondContact OD1-NZ 3.19Å; Y486-K488 VanDerWaalsContact C-N 3.28Å; Y486-K488 PolarHBondContact O-N 2.82Å; K488-R491 PolarHBondContact O-N 3.13Å; K488-G492 PolarHBondContact O-N 2.92Å
489	L	98.2	Very high	96.2	Very high	1 Å²	1	80.8 Å²	80.8	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-67.4	-42.4	174.7	-170.5	152.1	0	0	0	111.2	L437 L465 V471 A472 W475 N485 Y486 R491 G492 L493	L437-L489 HydrophobicContact CD1-CD1 3.94Å; L437-L489 HydrophobicContact CD1-CD2 4.35Å; L437-L489 HydrophobicContact CD1-CG 3.87Å; L437-L489 HydrophobicContact CD2-CD2 4.29Å; L437-L489 HydrophobicContact CD2-CG 4.04Å; L465-L489 HydrophobicContact CD1-CD2 4.47Å; V471-L489 HydrophobicContact CG1-CD1 3.97Å; A472-L489 HydrophobicContact CB-CB 4.36Å; A472-L489 HydrophobicContact CB-CD1 4.11Å; W475-L489 HydrophobicContact CB-CD1 3.91Å; W475-L489 HydrophobicContact CG-CD1 4.11Å; N485-L489 PolarHBondContact O-N 3.3Å; Y486-L489 CarbonylContact O-C 3.52Å; Y486-L489 PolarHBondContact O-N 2.93Å; Y486-L489 VanDerWaalsContact O-N 3.1Å; L489-R491 VanDerWaalsContact C-N 3.29Å; L489-R491 PolarHBondContact O-N 3.34Å; L489-G492 CarbonylContact O-C 3.56Å; L489-G492 VanDerWaalsContact O-CA 3.25Å; L489-G492 WeakPolarHBondContact O-CA 3.31Å; L489-G492 PolarHBondContact O-N 3.4Å; L489-L493 HydrophobicContact CD2-CD1 3.78Å; L489-L493 HydrophobicContact CD2-CG 4.07Å; L489-L493 PolarHBondContact O-N 3.42Å
490	S	98.1	Very high	96.2	Very high	7 Å²	7	82.3 Å²	82.3	5%	0.049	39%	0.39	C	S	.	.	H	α-helix	trans	-66.2	-29.3	176.6	86.3	0	0	0	0	112.3	Y486 E487 G492 R494	Y486-S490 WeakPolarHBondContact O-CB 3.27Å; Y486-S490 PolarHBondContact O-N 2.84Å; E487-S490 PolarHBondContact O-OG 3.35Å; S490-G492 VanDerWaalsContact C-N 3.33Å; S490-R494 WeakPolarHBondContact O-CG 3.21Å; S490-R494 PolarHBondContact O-N 3.03Å; S490-R494 PolarHBondContact O-NE 3.15Å; S490-R494 PolarHBondContact OG-NH2 3.38Å
491	R	97.5	Very high	96.2	Very high	100 Å²	100	76.3 Å²	76.3	38%	0.377	36%	0.358	S	S	.	.	H	α-helix	trans	-68.3	-34.2	168.5	-171.9	64.6	-164.6	93.9	-17	111.9	E487 K488 L489 Y495	E487-R491 PolarHBondContact O-N 2.9Å; K488-R491 PolarHBondContact O-N 3.13Å; L489-R491 VanDerWaalsContact C-N 3.29Å; L489-R491 PolarHBondContact O-N 3.34Å; R491-Y495 HydrophobicContact CG-CE2 4.04Å; R491-Y495 VanDerWaalsContact NH1-CE1 3.34Å; R491-Y495 VanDerWaalsContact NH1-CE2 3.27Å; R491-Y495 VanDerWaalsContact NH1-CZ 3.26Å; R491-Y495 VanDerWaalsContact NH2-CE1 3.3Å; R491-Y495 WeakPolarHBondContact O-CD2 3.47Å; R491-Y495 WeakPolarHBondContact O-CE2 3.35Å
492	G	96	Very high	96.3	Very high	21 Å²	21	70.3 Å²	70.3	22%	0.216	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-53.1	168.8	0	0	0	0	0	112.6	K488 L489 S490 R494 Y495	K488-G492 PolarHBondContact O-N 2.92Å; L489-G492 CarbonylContact O-C 3.56Å; L489-G492 VanDerWaalsContact O-CA 3.25Å; L489-G492 WeakPolarHBondContact O-CA 3.31Å; L489-G492 PolarHBondContact O-N 3.4Å; S490-G492 VanDerWaalsContact C-N 3.33Å; G492-R494 VanDerWaalsContact C-N 3.28Å; G492-R494 PolarHBondContact O-N 3.02Å; G492-Y495 WeakPolarHBondContact O-CB 3.5Å; G492-Y495 PolarHBondContact O-N 3.14Å
493	L	98	Very high	96.5	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-56.5	-39.8	176.8	-71.5	175.2	0	0	0	112.7	L437 L441 L489 Y495 Y496 Y497 I502 Y512	L437-L493 HydrophobicContact CD2-CD2 4.33Å; L437-L493 HydrophobicContact CD2-CG 4.26Å; L441-L493 HydrophobicContact CD1-CD2 3.64Å; L489-L493 HydrophobicContact CD2-CD1 3.78Å; L489-L493 HydrophobicContact CD2-CG 4.07Å; L489-L493 PolarHBondContact O-N 3.42Å; L493-Y495 PolarHBondContact O-N 2.65Å; L493-Y496 HydrophobicContact CD2-CD2 4.27Å; L493-Y496 WeakPolarHBondContact O-CB 3.36Å; L493-Y496 PolarHBondContact O-N 2.69Å; L493-Y497 VanDerWaalsContact O-CD1 3.31Å; L493-Y497 WeakPolarHBondContact O-CD1 3.31Å; L493-Y497 VanDerWaalsContact O-CE1 3.29Å; L493-Y497 WeakPolarHBondContact O-CE1 3.32Å; L493-I502 HydrophobicContact CD2-CD1 3.92Å; L493-I502 HydrophobicContact CD2-CG2 4.29Å; L493-Y512 HydrophobicContact CB-CE1 4.14Å; L493-Y512 HydrophobicContact CD1-CD1 4.15Å; L493-Y512 HydrophobicContact CD1-CD2 4.05Å; L493-Y512 HydrophobicContact CD1-CE1 3.8Å; L493-Y512 HydrophobicContact CD1-CE2 3.72Å; L493-Y512 HydrophobicContact CD1-CG 4.27Å
494	R	97.4	Very high	96.5	Very high	102 Å²	102	63.1 Å²	63.1	39%	0.385	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19	174.7	-80.2	175.6	-80.4	176.5	-9.7	114.8	S490 G492 Y496 Y497	S490-R494 WeakPolarHBondContact O-CG 3.21Å; S490-R494 PolarHBondContact O-N 3.03Å; S490-R494 PolarHBondContact O-NE 3.15Å; S490-R494 PolarHBondContact OG-NH2 3.38Å; G492-R494 VanDerWaalsContact C-N 3.28Å; G492-R494 PolarHBondContact O-N 3.02Å; R494-Y496 VanDerWaalsContact C-N 3.32Å; R494-Y497 HydrophobicContact CB-CE2 4.48Å; R494-Y497 HydrophobicContact CG-CE2 3.91Å
495	Y	96.7	Very high	96.6	Very high	140 Å²	140	63 Å²	63	55%	0.549	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0.7	172.4	-66.5	-68.5	0	0	0	113.5	R491 G492 L493 K499	R491-Y495 HydrophobicContact CG-CE2 4.04Å; R491-Y495 VanDerWaalsContact NH1-CE1 3.34Å; R491-Y495 VanDerWaalsContact NH1-CE2 3.27Å; R491-Y495 VanDerWaalsContact NH1-CZ 3.26Å; R491-Y495 VanDerWaalsContact NH2-CE1 3.3Å; R491-Y495 WeakPolarHBondContact O-CD2 3.47Å; R491-Y495 WeakPolarHBondContact O-CE2 3.35Å; G492-Y495 WeakPolarHBondContact O-CB 3.5Å; G492-Y495 PolarHBondContact O-N 3.14Å; L493-Y495 PolarHBondContact O-N 2.65Å; Y495-K499 WeakPolarHBondContact O-CG 3.39Å
496	Y	96.5	Very high	96.5	Very high	26 Å²	26	64.3 Å²	64.3	10%	0.102	31%	0.309	C	S	.	.	S	Bend	trans	-101.7	-5.7	178.5	-66.8	-39	0	0	0	114.4	L437 W438 L493 R494 N500 I501 I502	L437-Y496 HydrophobicContact CB-CE2 3.93Å; L437-Y496 HydrophobicContact CD2-CE2 4.22Å; L437-Y496 HydrophobicContact CG-CE2 4.18Å; L437-Y496 PolarHBondContact N-OH 2.91Å; W438-Y496 HydrophobicContact CB-CD2 4.32Å; W438-Y496 HydrophobicContact CB-CE2 3.82Å; W438-Y496 AromaticContact CD1-CE1 3.87Å; W438-Y496 AromaticContact CD1-CZ 3.7Å; W438-Y496 PolarHBondContact N-OH 3.34Å; L493-Y496 HydrophobicContact CD2-CD2 4.27Å; L493-Y496 WeakPolarHBondContact O-CB 3.36Å; L493-Y496 PolarHBondContact O-N 2.69Å; R494-Y496 VanDerWaalsContact C-N 3.32Å; Y496-N500 PolarHBondContact O-N 2.69Å; Y496-I501 HydrophobicContact CD1-CB 4.32Å; Y496-I501 HydrophobicContact CD1-CD1 3.98Å; Y496-I501 HydrophobicContact CE1-CD1 4.28Å; Y496-I501 HydrophobicContact CG-CB 4.37Å; Y496-I501 PolarHBondContact O-N 2.83Å; Y496-I501 VanDerWaalsContact O-N 3.15Å; Y496-I502 CarbonylContact C-O 3.52Å; Y496-I502 VanDerWaalsContact C-O 3.24Å; Y496-I502 HydrophobicContact CD2-CD1 4.07Å; Y496-I502 PolarHBondContact O-N 2.99Å; Y496-I502 VanDerWaalsContact O-O 3.14Å
497	Y	96.7	Very high	96.4	Very high	64 Å²	64	67.3 Å²	67.3	25%	0.251	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-64.5	-178.7	-60.5	1	0	0	0	109.5	L493 R494 K499 N500 I502 H503 K504 Y512	L493-Y497 VanDerWaalsContact O-CD1 3.31Å; L493-Y497 WeakPolarHBondContact O-CD1 3.31Å; L493-Y497 VanDerWaalsContact O-CE1 3.29Å; L493-Y497 WeakPolarHBondContact O-CE1 3.32Å; R494-Y497 HydrophobicContact CB-CE2 4.48Å; R494-Y497 HydrophobicContact CG-CE2 3.91Å; Y497-K499 PolarHBondContact O-N 2.89Å; Y497-K499 VanDerWaalsContact O-N 3.08Å; Y497-N500 PolarHBondContact O-N 3.14Å; Y497-N500 PolarHBondContact O-OD1 3.32Å; Y497-I502 WeakPolarHBondContact CD1-O 3.37Å; Y497-I502 PolarHBondContact N-O 3.27Å; Y497-H503 PolarHBondContact O-CD2 3.45Å; Y497-H503 PolarHBondContact O-NE2 3.28Å; Y497-H503 VanDerWaalsContact O-NE2 3.1Å; Y497-K504 HydrophobicContact CE1-CB 4.04Å; Y497-K504 HydrophobicContact CE2-CB 4.47Å; Y497-K504 WeakPolarHBondContact OH-CB 3.26Å; Y497-Y512 HydrophobicContact CE1-CE1 4.48Å
498	D	92.9	Very high	96.4	Very high	145 Å²	145	65.8 Å²	65.8	78%	0.775	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.9	179.1	-32.3	-38.6	0	0	0	113.2
499	K	91	Very high	96.4	Very high	110 Å²	110	68.8 Å²	68.8	48%	0.478	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.8	175.9	-68.6	-155.3	74.8	-161.7	0	114	Y495 Y497 I501	Y495-K499 WeakPolarHBondContact O-CG 3.39Å; Y497-K499 PolarHBondContact O-N 2.89Å; Y497-K499 VanDerWaalsContact O-N 3.08Å; K499-I501 VanDerWaalsContact C-N 3.27Å; K499-I501 HydrophobicContact CB-CD1 4.07Å; K499-I501 HydrophobicContact CB-CG1 4.08Å; K499-I501 HydrophobicContact CD-CD1 4.31Å; K499-I501 PolarHBondContact O-N 3.17Å
500	N	93.2	Very high	96.4	Very high	95 Å²	95	71.9 Å²	71.9	51%	0.508	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	45.2	-173.9	-61.4	-35.5	0	0	0	113.2	Y496 Y497 H503 V515 C516	Y496-N500 PolarHBondContact O-N 2.69Å; Y497-N500 PolarHBondContact O-N 3.14Å; Y497-N500 PolarHBondContact O-OD1 3.32Å; N500-H503 PolarHBondContact OD1-NE2 3.26Å; N500-V515 HydrophobicContact CB-CG2 4.14Å; N500-C516 PolarHBondContact O-N 3.05Å
501	I	93.7	Very high	96.4	Very high	17 Å²	17	71.9 Å²	71.9	9%	0.087	36%	0.36	C	S	.	.	S	Bend	trans	-104.9	-55	173	-59.7	173.9	0	0	0	109.4	W438 Y496 K499 F514 V515 C516	W438-I501 HydrophobicContact CB-CG2 3.77Å; W438-I501 HydrophobicContact CD2-CG2 3.94Å; W438-I501 HydrophobicContact CE3-CG2 4.49Å; W438-I501 HydrophobicContact CG-CG2 3.62Å; Y496-I501 HydrophobicContact CD1-CB 4.32Å; Y496-I501 HydrophobicContact CD1-CD1 3.98Å; Y496-I501 HydrophobicContact CE1-CD1 4.28Å; Y496-I501 HydrophobicContact CG-CB 4.37Å; Y496-I501 PolarHBondContact O-N 2.83Å; Y496-I501 VanDerWaalsContact O-N 3.15Å; K499-I501 VanDerWaalsContact C-N 3.27Å; K499-I501 HydrophobicContact CB-CD1 4.07Å; K499-I501 HydrophobicContact CB-CG1 4.08Å; K499-I501 HydrophobicContact CD-CD1 4.31Å; K499-I501 PolarHBondContact O-N 3.17Å; I501-F514 VanDerWaalsContact O-CA 3.31Å; I501-F514 WeakPolarHBondContact O-CA 3.22Å; I501-V515 PolarHBondContact O-N 2.9Å; I501-C516 PolarHBondContact O-SG 2.89Å
502	I	97.7	Very high	96.4	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.6	175.9	-68.9	162.6	0	0	0	108	W438 L441 F463 L493 Y496 Y497 Y512 R513 F514	W438-I502 HydrophobicContact CB-CD1 3.8Å; L441-I502 HydrophobicContact CD1-CD1 4.33Å; F463-I502 HydrophobicContact CE1-CD1 4.4Å; F463-I502 HydrophobicContact CE1-CG1 4.39Å; F463-I502 HydrophobicContact CE1-CG2 4.28Å; F463-I502 HydrophobicContact CZ-CD1 4.16Å; F463-I502 HydrophobicContact CZ-CG2 4.28Å; L493-I502 HydrophobicContact CD2-CD1 3.92Å; L493-I502 HydrophobicContact CD2-CG2 4.29Å; Y496-I502 CarbonylContact C-O 3.52Å; Y496-I502 VanDerWaalsContact C-O 3.24Å; Y496-I502 HydrophobicContact CD2-CD1 4.07Å; Y496-I502 PolarHBondContact O-N 2.99Å; Y496-I502 VanDerWaalsContact O-O 3.14Å; Y497-I502 WeakPolarHBondContact CD1-O 3.37Å; Y497-I502 PolarHBondContact N-O 3.27Å; I502-Y512 HydrophobicContact CG2-CD1 4.06Å; I502-Y512 HydrophobicContact CG2-CG 4.35Å; I502-R513 CarbonylContact C-O 3.4Å; I502-R513 VanDerWaalsContact CA-O 3.29Å; I502-R513 WeakPolarHBondContact CA-O 3.49Å; I502-F514 HydrophobicContact CD1-CD1 4.12Å; I502-F514 HydrophobicContact CD1-CE1 3.7Å; I502-F514 HydrophobicContact CD1-CZ 3.96Å; I502-F514 HydrophobicContact CG1-CD1 3.56Å; I502-F514 HydrophobicContact CG1-CE1 3.7Å; I502-F514 HydrophobicContact CG1-CG 4.01Å; I502-F514 HydrophobicContact CG1-CZ 4.23Å
503	H	98	Very high	96.5	Very high	74 Å²	74	69.6 Å²	69.6	34%	0.343	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	162.9	167.2	-77.2	-167	0	0	0	110.6	Y497 N500 Y512 R513 V515	Y497-H503 PolarHBondContact O-CD2 3.45Å; Y497-H503 PolarHBondContact O-NE2 3.28Å; Y497-H503 VanDerWaalsContact O-NE2 3.1Å; N500-H503 PolarHBondContact OD1-NE2 3.26Å; H503-Y512 WeakPolarHBondContact O-CA 3.29Å; H503-R513 PolarHBondContact N-O 2.93Å; H503-R513 PolarHBondContact O-N 3.48Å; H503-V515 HydrophobicContact CB-CG1 3.91Å
504	K	97.6	Very high	96.5	Very high	76 Å²	76	69.8 Å²	69.8	33%	0.33	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-99.4	123	173	175.4	155.3	-176.4	52.5	0	110.8	Y497 A506 K508 V511 Y512	Y497-K504 HydrophobicContact CE1-CB 4.04Å; Y497-K504 HydrophobicContact CE2-CB 4.47Å; Y497-K504 WeakPolarHBondContact OH-CB 3.26Å; K504-A506 PolarHBondContact O-N 3.4Å; K504-K508 PolarHBondContact NZ-O 2.89Å; K504-V511 PolarHBondContact NZ-O 3.19Å; K504-Y512 HydrophobicContact CB-CD1 3.89Å; K504-Y512 HydrophobicContact CB-CE1 3.78Å; K504-Y512 HydrophobicContact CD-CE1 3.77Å; K504-Y512 HydrophobicContact CG-CD1 4.24Å; K504-Y512 HydrophobicContact CG-CE1 3.95Å
505	T	97.7	Very high	96.4	Very high	28 Å²	28	67.8 Å²	67.8	17%	0.172	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-64.5	126.4	170.9	-45.2	0	0	0	0	110.3	E462 K508	E462-T505 WeakPolarHBondContact OE2-CB 3.48Å; E462-T505 VanDerWaalsContact OE2-CG2 3.28Å; E462-T505 WeakPolarHBondContact OE2-CG2 3.48Å; E462-T505 PolarHBondContact OE2-OG1 2.96Å; T505-K508 HydrophobicContact CG2-CD 3.7Å; T505-K508 HydrophobicContact CG2-CG 4.17Å
506	A	96.3	Very high	96.1	Very high	88 Å²	88	62.9 Å²	62.9	73%	0.727	33%	0.331	S	S	*	.	S	Bend	trans	-64.4	153.5	176.4	0	0	0	0	0	111.6	K504 K508	K504-A506 PolarHBondContact O-N 3.4Å; A506-K508 PolarHBondContact O-N 3.49Å
507	G	96.3	Very high	95.8	Very high	91 Å²	91	65.4 Å²	65.4	94%	0.938	35%	0.346	S	S	*	.	S	Bend	trans	68.6	-34.9	-178.1	0	0	0	0	0	116
508	K	96.7	Very high	95.5	Very high	83 Å²	83	62.4 Å²	62.4	36%	0.361	33%	0.334	S	S	.	.			trans	-84.3	117.8	-173.7	-60.3	-177.7	-170.6	168	0	112.4	D459 E462 K504 T505 A506 V511	D459-K508 IonicContact OD2-NZ 2.65Å; E462-K508 IonicContact OE1-NZ 2.87Å; E462-K508 PolarHBondContact OE1-NZ 2.95Å; E462-K508 IonicContact OE2-NZ 2.69Å; E462-K508 PolarHBondContact OE2-NZ 3.36Å; K504-K508 PolarHBondContact NZ-O 2.89Å; T505-K508 HydrophobicContact CG2-CD 3.7Å; T505-K508 HydrophobicContact CG2-CG 4.17Å; A506-K508 PolarHBondContact O-N 3.49Å; K508-V511 HydrophobicContact CB-CB 3.59Å; K508-V511 HydrophobicContact CB-CG1 4.3Å; K508-V511 HydrophobicContact CB-CG2 3.68Å; K508-V511 HydrophobicContact CD-CB 4.05Å; K508-V511 HydrophobicContact CD-CG1 3.82Å; K508-V511 HydrophobicContact CD-CG2 4.11Å; K508-V511 HydrophobicContact CG-CB 4.47Å; K508-V511 HydrophobicContact CG-CG2 4.47Å
509	R	97.3	Very high	95.3	Very high	177 Å²	177	58.2 Å²	58.2	67%	0.668	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	134.1	172	-64.8	-172.2	76.6	-122.8	-1.3	110.6	V511	R509-V511 PolarHBondContact O-N 3.31Å
510	Y	98.3	Very high	94.8	Very high	65 Å²	65	58.1 Å²	58.1	26%	0.255	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	11.1	179.2	-48.2	-65.8	0	0	0	117.7	L465 P468 Y486 Y512	L465-Y510 PolarHBondContact N-O 2.91Å; L465-Y510 WeakPolarHBondContact O-CB 3.37Å; P468-Y510 HydrophobicContact CB-CD1 4.04Å; P468-Y510 HydrophobicContact CB-CE1 4.11Å; P468-Y510 HydrophobicContact CG-CD1 3.44Å; P468-Y510 VanDerWaalsContact CG-CD1 3.44Å; P468-Y510 HydrophobicContact CG-CD2 3.94Å; P468-Y510 HydrophobicContact CG-CE1 3.57Å; P468-Y510 HydrophobicContact CG-CE2 4.05Å; P468-Y510 HydrophobicContact CG-CG 3.64Å; Y486-Y510 HydrophobicContact CD1-CE1 4.1Å; Y486-Y510 HydrophobicContact CE1-CD1 4.02Å; Y486-Y510 AromaticContact CE1-CE1 3.64Å; Y486-Y510 HydrophobicContact CE1-CE1 3.64Å; Y486-Y510 HydrophobicContact CE2-CD1 4.09Å; Y486-Y510 HydrophobicContact CE2-CE1 4.4Å; Y486-Y510 AromaticContact CZ-CD1 3.65Å; Y486-Y510 AromaticContact CZ-CE1 3.79Å; Y510-Y512 WeakPolarHBondContact O-CD2 3.4Å
511	V	98.4	Very high	94.3	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.7	174.5	-176.8	0	0	0	0	111.5	T457 E462 F463 K464 K504 K508 R509	T457-V511 HydrophobicContact CG2-CG1 4.34Å; E462-V511 HydrophobicContact CG-CG1 3.39Å; E462-V511 WeakPolarHBondContact OE1-CG1 3.29Å; F463-V511 WeakPolarHBondContact O-CA 3.5Å; F463-V511 WeakPolarHBondContact O-CG1 3.29Å; K464-V511 HydrophobicContact CB-CG2 3.97Å; K464-V511 HydrophobicContact CD-CG2 4.09Å; K464-V511 HydrophobicContact CG-CG2 3.83Å; K504-V511 PolarHBondContact NZ-O 3.19Å; K508-V511 HydrophobicContact CB-CB 3.59Å; K508-V511 HydrophobicContact CB-CG1 4.3Å; K508-V511 HydrophobicContact CB-CG2 3.68Å; K508-V511 HydrophobicContact CD-CB 4.05Å; K508-V511 HydrophobicContact CD-CG1 3.82Å; K508-V511 HydrophobicContact CD-CG2 4.11Å; K508-V511 HydrophobicContact CG-CB 4.47Å; K508-V511 HydrophobicContact CG-CG2 4.47Å; R509-V511 PolarHBondContact O-N 3.31Å
512	Y	98.7	Very high	93.9	Very high	6 Å²	6	55.5 Å²	55.5	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	158.4	-174.5	-67.8	-85	0	0	0	109.5	E462 F463 L465 Y486 L493 Y497 I502 H503 K504 Y510	E462-Y512 WeakPolarHBondContact CA-O 3.33Å; E462-Y512 WeakPolarHBondContact CG-O 3.43Å; F463-Y512 WeakPolarHBondContact CD1-O 3.48Å; F463-Y512 HydrophobicContact CE2-CD2 4.49Å; F463-Y512 VanDerWaalsContact CZ-CB 3.49Å; F463-Y512 HydrophobicContact CZ-CG 4.33Å; F463-Y512 PolarHBondContact N-O 2.99Å; F463-Y512 PolarHBondContact O-N 3Å; L465-Y512 HydrophobicContact CD1-CE2 4.49Å; Y486-Y512 PolarHBondContact OH-OH 2.79Å; L493-Y512 HydrophobicContact CB-CE1 4.14Å; L493-Y512 HydrophobicContact CD1-CD1 4.15Å; L493-Y512 HydrophobicContact CD1-CD2 4.05Å; L493-Y512 HydrophobicContact CD1-CE1 3.8Å; L493-Y512 HydrophobicContact CD1-CE2 3.72Å; L493-Y512 HydrophobicContact CD1-CG 4.27Å; Y497-Y512 HydrophobicContact CE1-CE1 4.48Å; I502-Y512 HydrophobicContact CG2-CD1 4.06Å; I502-Y512 HydrophobicContact CG2-CG 4.35Å; H503-Y512 WeakPolarHBondContact O-CA 3.29Å; K504-Y512 HydrophobicContact CB-CD1 3.89Å; K504-Y512 HydrophobicContact CB-CE1 3.78Å; K504-Y512 HydrophobicContact CD-CE1 3.77Å; K504-Y512 HydrophobicContact CG-CD1 4.24Å; K504-Y512 HydrophobicContact CG-CE1 3.95Å; Y510-Y512 WeakPolarHBondContact O-CD2 3.4Å
513	R	98.1	Very high	93.3	Very high	68 Å²	68	58.8 Å²	58.8	26%	0.257	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.3	179.8	-172.3	178.5	-59.8	-115.5	-2	110.1	D459 W461 E462 I502 H503	D459-R513 PolarHBondContact O-NH1 3.01Å; D459-R513 IonicContact OD1-CZ 3.76Å; D459-R513 IonicContact OD1-NH1 3.83Å; D459-R513 PolarHBondContact OD1-NH1 3.44Å; D459-R513 IonicContact OD1-NH2 2.85Å; D459-R513 PolarHBondContact OD1-NH2 2.84Å; D459-R513 IonicContact OD2-CZ 3.07Å; D459-R513 IonicContact OD2-NH1 2.69Å; D459-R513 IonicContact OD2-NH2 2.72Å; D459-R513 PolarHBondContact OD2-NH2 3.05Å; W461-R513 WeakPolarHBondContact O-CA 3.38Å; E462-R513 HydrophobicContact CB-CB 4.29Å; E462-R513 HydrophobicContact CB-CG 4.18Å; E462-R513 HydrophobicContact CG-CB 4.41Å; E462-R513 IonicContact OE2-CZ 3.22Å; E462-R513 IonicContact OE2-NE 2.67Å; E462-R513 IonicContact OE2-NH2 2.72Å; E462-R513 PolarHBondContact OE2-NH2 3.42Å; I502-R513 CarbonylContact C-O 3.4Å; I502-R513 VanDerWaalsContact CA-O 3.29Å; I502-R513 WeakPolarHBondContact CA-O 3.49Å; H503-R513 PolarHBondContact N-O 2.93Å; H503-R513 PolarHBondContact O-N 3.48Å
514	F	97.7	Very high	92.7	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.5	166.6	-70.1	-96.4	0	0	0	109	W438 L442 L445 W456 W461 F463 I501 I502 L518	W438-F514 HydrophobicContact CB-CE1 4.15Å; W438-F514 HydrophobicContact CE3-CE1 4.2Å; L442-F514 HydrophobicContact CB-CZ 4.04Å; L445-F514 HydrophobicContact CD1-CE2 3.84Å; W456-F514 HydrophobicContact CH2-CD2 4.03Å; W456-F514 HydrophobicContact CH2-CE2 4.05Å; W456-F514 AromaticContact CZ3-CD2 3.98Å; W456-F514 HydrophobicContact CZ3-CD2 3.98Å; W456-F514 HydrophobicContact CZ3-CE2 4.26Å; W461-F514 HydrophobicContact CB-CB 3.95Å; W461-F514 PolarHBondContact O-N 2.82Å; F463-F514 AromaticContact CD1-CD2 3.67Å; F463-F514 HydrophobicContact CD1-CD2 3.67Å; F463-F514 AromaticContact CD1-CE2 3.61Å; F463-F514 HydrophobicContact CD1-CE2 3.61Å; F463-F514 AromaticContact CE1-CD2 3.52Å; F463-F514 HydrophobicContact CE1-CD2 3.52Å; F463-F514 AromaticContact CE1-CE2 3.35Å; F463-F514 HydrophobicContact CE1-CE2 3.35Å; F463-F514 HydrophobicContact CE1-CG 4.43Å; F463-F514 HydrophobicContact CE1-CZ 4.17Å; F463-F514 HydrophobicContact CZ-CE2 4.11Å; I501-F514 VanDerWaalsContact O-CA 3.31Å; I501-F514 WeakPolarHBondContact O-CA 3.22Å; I502-F514 HydrophobicContact CD1-CD1 4.12Å; I502-F514 HydrophobicContact CD1-CE1 3.7Å; I502-F514 HydrophobicContact CD1-CZ 3.96Å; I502-F514 HydrophobicContact CG1-CD1 3.56Å; I502-F514 HydrophobicContact CG1-CE1 3.7Å; I502-F514 HydrophobicContact CG1-CG 4.01Å; I502-F514 HydrophobicContact CG1-CZ 4.23Å; F514-L518 HydrophobicContact CB-CD1 3.63Å; F514-L518 HydrophobicContact CB-CG 4.03Å; F514-L518 HydrophobicContact CD1-CD1 3.95Å; F514-L518 HydrophobicContact CD1-CD2 4.34Å; F514-L518 HydrophobicContact CD1-CG 4.38Å; F514-L518 HydrophobicContact CD2-CD1 3.82Å; F514-L518 HydrophobicContact CE2-CD1 4.42Å; F514-L518 HydrophobicContact CG-CD1 3.55Å; F514-L518 HydrophobicContact CG-CG 4.26Å
515	V	95.3	Very high	92.5	Very high	60 Å²	60	55.5 Å²	55.5	36%	0.364	32%	0.324	S	S	.	.			trans	-121.4	-2.6	179.4	-57.7	0	0	0	0	112.5	N500 I501 H503	N500-V515 HydrophobicContact CB-CG2 4.14Å; I501-V515 PolarHBondContact O-N 2.9Å; H503-V515 HydrophobicContact CB-CG1 3.91Å
516	C	90.2	Very high	92.3	Very high	36 Å²	36	54.3 Å²	54.3	24%	0.243	32%	0.318	C	S	.	.	S	Bend	trans	-73.6	154	158.3	55.9	0	0	0	0	109.9	N500 I501 L518	N500-C516 PolarHBondContact O-N 3.05Å; I501-C516 PolarHBondContact O-SG 2.89Å; C516-L518 PolarHBondContact O-N 3.25Å
517	D	89.3	Confident	92.2	Very high	80 Å²	80	55 Å²	55	43%	0.428	31%	0.306	S	S	.	.			trans	-71.8	90.4	179.5	-166.1	-25.9	0	0	0	111.3	T519 Q520 L521	D517-T519 VanDerWaalsContact C-N 3.28Å; D517-T519 WeakPolarHBondContact OD1-CA 3.48Å; D517-T519 VanDerWaalsContact OD1-CB 3.24Å; D517-T519 WeakPolarHBondContact OD1-CB 3.38Å; D517-T519 PolarHBondContact OD1-N 3.48Å; D517-Q520 HydrophobicContact CB-CB 4.4Å; D517-Q520 PolarHBondContact OD1-N 3.04Å; D517-Q520 WeakPolarHBondContact OD2-CG 3.25Å; D517-Q520 PolarHBondContact OD2-NE2 3.48Å; D517-L521 PolarHBondContact O-N 3.38Å
518	L	90.8	Very high	92.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-73.1	-19.8	171.4	-69.1	-170.3	0	0	0	112.7	L442 W456 W461 F514 C516 L521 L522	L442-L518 HydrophobicContact CD1-CD1 3.99Å; L442-L518 HydrophobicContact CD2-CD1 4.36Å; L442-L518 HydrophobicContact CD2-CD2 3.76Å; W456-L518 HydrophobicContact CH2-CD1 4.09Å; W461-L518 HydrophobicContact CB-CD1 4.37Å; W461-L518 HydrophobicContact CD2-CB 3.77Å; W461-L518 HydrophobicContact CD2-CD1 3.91Å; W461-L518 HydrophobicContact CD2-CG 4.36Å; W461-L518 HydrophobicContact CE3-CB 4.14Å; W461-L518 HydrophobicContact CE3-CD1 3.81Å; W461-L518 HydrophobicContact CG-CB 4.25Å; W461-L518 HydrophobicContact CG-CD1 4.18Å; W461-L518 HydrophobicContact CH2-CB 4.14Å; W461-L518 HydrophobicContact CZ2-CB 3.77Å; W461-L518 HydrophobicContact CZ3-CB 4.31Å; W461-L518 HydrophobicContact CZ3-CD1 4.38Å; F514-L518 HydrophobicContact CB-CD1 3.63Å; F514-L518 HydrophobicContact CB-CG 4.03Å; F514-L518 HydrophobicContact CD1-CD1 3.95Å; F514-L518 HydrophobicContact CD1-CD2 4.34Å; F514-L518 HydrophobicContact CD1-CG 4.38Å; F514-L518 HydrophobicContact CD2-CD1 3.82Å; F514-L518 HydrophobicContact CE2-CD1 4.42Å; F514-L518 HydrophobicContact CG-CD1 3.55Å; F514-L518 HydrophobicContact CG-CG 4.26Å; C516-L518 PolarHBondContact O-N 3.25Å; L518-L521 HydrophobicContact CD2-CB 4.37Å; L518-L521 HydrophobicContact CD2-CD2 3.65Å; L518-L521 PolarHBondContact O-N 3.29Å; L518-L522 HydrophobicContact CB-CD1 4.18Å; L518-L522 VanDerWaalsContact O-CB 3.24Å; L518-L522 WeakPolarHBondContact O-CB 3.23Å; L518-L522 VanDerWaalsContact O-CG 3.23Å; L518-L522 WeakPolarHBondContact O-CG 3.2Å; L518-L522 PolarHBondContact O-N 3.28Å
519	T	89	Confident	91.9	Very high	57 Å²	57	51.3 Å²	51.3	35%	0.35	27%	0.266	S	S	.	.	H	α-helix	trans	-66.2	-47.6	177.3	-49.8	0	0	0	0	110	D517 G523 M524 T525	D517-T519 VanDerWaalsContact C-N 3.28Å; D517-T519 WeakPolarHBondContact OD1-CA 3.48Å; D517-T519 VanDerWaalsContact OD1-CB 3.24Å; D517-T519 WeakPolarHBondContact OD1-CB 3.38Å; D517-T519 PolarHBondContact OD1-N 3.48Å; T519-G523 WeakPolarHBondContact O-CA 3.41Å; T519-G523 PolarHBondContact O-N 3.4Å; T519-M524 WeakPolarHBondContact CA-O 3.36Å; T519-T525 HydrophobicContact CG2-CG2 4.46Å
520	Q	80.2	Confident	91.8	Very high	108 Å²	108	43.4 Å²	43.4	51%	0.505	24%	0.236	S	C	.	.	H	α-helix	trans	-66.2	-34.3	171.1	-73.4	-175.2	64.5	0	0	112.9	D517	D517-Q520 HydrophobicContact CB-CB 4.4Å; D517-Q520 PolarHBondContact OD1-N 3.04Å; D517-Q520 WeakPolarHBondContact OD2-CG 3.25Å; D517-Q520 PolarHBondContact OD2-NE2 3.48Å
521	L	83.1	Confident	91.5	Very high	39 Å²	39	47.2 Å²	47.2	20%	0.204	26%	0.256	C	S	.	.	H	α-helix	trans	-71.6	-34.6	-179.5	-165.4	75.5	0	0	0	113.1	Y429 W438 L442 D517 L518	Y429-L521 HydrophobicContact CD1-CD1 3.56Å; Y429-L521 HydrophobicContact CD1-CG 4.33Å; Y429-L521 HydrophobicContact CE1-CD1 3.57Å; Y429-L521 HydrophobicContact CE1-CG 4.23Å; Y429-L521 HydrophobicContact CG-CD1 4.43Å; Y429-L521 PolarHBondContact OH-O 3.22Å; Y429-L521 VanDerWaalsContact OH-O 3.12Å; W438-L521 HydrophobicContact CH2-CD2 3.9Å; W438-L521 HydrophobicContact CZ3-CD2 3.71Å; L442-L521 HydrophobicContact CD2-CD2 4.25Å; D517-L521 PolarHBondContact O-N 3.38Å; L518-L521 HydrophobicContact CD2-CB 4.37Å; L518-L521 HydrophobicContact CD2-CD2 3.65Å; L518-L521 PolarHBondContact O-N 3.29Å
522	L	84.5	Confident	91	Very high	19 Å²	19	49.9 Å²	49.9	10%	0.099	27%	0.268	C	S	.	.	H	α-helix	trans	-104.6	-18.6	-172.5	-59.3	176.6	0	0	0	113.4	L424 L442 M446 W461 L518 M524 V529	L424-L522 HydrophobicContact CD1-CD2 3.69Å; L442-L522 HydrophobicContact CD1-CD1 4.43Å; L442-L522 HydrophobicContact CD2-CD2 4.29Å; M446-L522 HydrophobicContact CE-CD1 4.34Å; M446-L522 HydrophobicContact CE-CD2 4.3Å; M446-L522 HydrophobicContact SD-CD1 4.18Å; M446-L522 HydrophobicContact SD-CD2 3.81Å; W461-L522 HydrophobicContact CH2-CD1 3.82Å; W461-L522 HydrophobicContact CZ3-CD1 3.95Å; L518-L522 HydrophobicContact CB-CD1 4.18Å; L518-L522 VanDerWaalsContact O-CB 3.24Å; L518-L522 WeakPolarHBondContact O-CB 3.23Å; L518-L522 VanDerWaalsContact O-CG 3.23Å; L518-L522 WeakPolarHBondContact O-CG 3.2Å; L518-L522 PolarHBondContact O-N 3.28Å; L522-M524 VanDerWaalsContact C-N 3.26Å; L522-M524 HydrophobicContact CB-CE 4.2Å; L522-V529 HydrophobicContact CD1-CG2 4.49Å
523	G	85.1	Confident	90.6	Very high	68 Å²	68	50.4 Å²	50.4	70%	0.701	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	21.5	-173.2	0	0	0	0	0	113.7	T519	T519-G523 WeakPolarHBondContact O-CA 3.41Å; T519-G523 PolarHBondContact O-N 3.4Å
524	M	86.8	Confident	90.1	Very high	34 Å²	34	49.3 Å²	49.3	17%	0.167	28%	0.281	C	S	.	.	S	Bend	trans	-145.8	145.1	-177	-65	176.5	-69.1	0	0	109.8	L424 M446 T519 L522 E528 V529	L424-M524 HydrophobicContact CD1-CE 4.27Å; M446-M524 HydrophobicContact CE-CE 3.77Å; T519-M524 WeakPolarHBondContact CA-O 3.36Å; L522-M524 VanDerWaalsContact C-N 3.26Å; L522-M524 HydrophobicContact CB-CE 4.2Å; M524-E528 VanDerWaalsContact CA-OE2 3.22Å; M524-E528 WeakPolarHBondContact CA-OE2 3.37Å; M524-E528 HydrophobicContact CB-CB 4.31Å; M524-V529 HydrophobicContact CB-CG2 3.97Å; M524-V529 HydrophobicContact CE-CG2 4.05Å; M524-V529 HydrophobicContact SD-CG2 4.41Å
525	T	92.8	Very high	89.5	Confident	47 Å²	47	50.3 Å²	50.3	29%	0.288	29%	0.286	S	S	.	.			trans	-74.2	166.7	173.7	90	0	0	0	0	111.9	T519 E527 E528 V529	T519-T525 HydrophobicContact CG2-CG2 4.46Å; T525-E527 WeakPolarHBondContact CB-OE2 3.26Å; T525-E527 PolarHBondContact O-N 2.84Å; T525-E527 PolarHBondContact OG1-N 3.34Å; T525-E527 PolarHBondContact OG1-OE2 3.41Å; T525-E528 HydrophobicContact CG2-CG 4.48Å; T525-E528 PolarHBondContact N-OE2 3.15Å; T525-E528 PolarHBondContact O-N 3.48Å; T525-E528 PolarHBondContact OG1-N 3.44Å; T525-V529 WeakPolarHBondContact O-CG2 3.44Å; T525-V529 PolarHBondContact O-N 3.04Å
526	A	93.8	Very high	88.3	Confident	4 Å²	4	59.1 Å²	59.1	3%	0.033	31%	0.313	C	S	.	.	H	α-helix	trans	-60.2	-37.4	175.1	0	0	0	0	0	111.4	W461 V529 H530	W461-A526 HydrophobicContact CD2-CB 3.81Å; W461-A526 HydrophobicContact CE3-CB 4.01Å; W461-A526 HydrophobicContact CG-CB 4.37Å; W461-A526 HydrophobicContact CH2-CB 4.24Å; W461-A526 HydrophobicContact CZ2-CB 4.04Å; W461-A526 HydrophobicContact CZ3-CB 4.22Å; A526-V529 PolarHBondContact O-N 3.08Å; A526-H530 WeakPolarHBondContact O-CB 3.36Å; A526-H530 PolarHBondContact O-N 3.2Å; A526-H530 PolarHBondContact O-ND1 3.19Å; A526-H530 VanDerWaalsContact O-ND1 3.09Å
527	E	94.2	Very high	86.7	Confident	102 Å²	102	60.3 Å²	60.3	48%	0.477	33%	0.332	S	S	.	.	H	α-helix	trans	-68.8	-38.1	-179.5	-58	65	-136.1	0	0	111.7	T525 H530 Q531	T525-E527 WeakPolarHBondContact CB-OE2 3.26Å; T525-E527 PolarHBondContact O-N 2.84Å; T525-E527 PolarHBondContact OG1-N 3.34Å; T525-E527 PolarHBondContact OG1-OE2 3.41Å; E527-H530 PolarHBondContact O-N 3.22Å; E527-Q531 VanDerWaalsContact O-CG 3.28Å; E527-Q531 WeakPolarHBondContact O-CG 3.41Å; E527-Q531 PolarHBondContact O-N 2.69Å; E527-Q531 PolarHBondContact O-NE2 3.24Å
528	E	93.5	Very high	84.5	Confident	96 Å²	96	60.1 Å²	60.1	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-66.6	-45.3	173.7	-66.3	176.2	143.2	0	0	110.8	M524 T525 H530 Q531 Q532	M524-E528 VanDerWaalsContact CA-OE2 3.22Å; M524-E528 WeakPolarHBondContact CA-OE2 3.37Å; M524-E528 HydrophobicContact CB-CB 4.31Å; T525-E528 HydrophobicContact CG2-CG 4.48Å; T525-E528 PolarHBondContact N-OE2 3.15Å; T525-E528 PolarHBondContact O-N 3.48Å; T525-E528 PolarHBondContact OG1-N 3.44Å; E528-H530 PolarHBondContact O-N 2.88Å; E528-Q531 PolarHBondContact O-N 2.97Å; E528-Q532 WeakPolarHBondContact O-CB 2.99Å; E528-Q532 PolarHBondContact O-N 2.85Å
529	V	92.8	Very high	82	Confident	1 Å²	1	64 Å²	64	1%	0.006	39%	0.389	C	S	.	.	H	α-helix	trans	-63.1	-40.3	174.2	173.7	0	0	0	0	111.2	W456 W461 L522 M524 T525 A526 Q531 Q532 M533	W456-V529 HydrophobicContact CZ2-CG1 4.48Å; W461-V529 HydrophobicContact CH2-CB 4.37Å; W461-V529 HydrophobicContact CH2-CG2 3.9Å; W461-V529 HydrophobicContact CZ3-CB 4.1Å; W461-V529 HydrophobicContact CZ3-CG1 4.33Å; W461-V529 HydrophobicContact CZ3-CG2 4Å; L522-V529 HydrophobicContact CD1-CG2 4.49Å; M524-V529 HydrophobicContact CB-CG2 3.97Å; M524-V529 HydrophobicContact CE-CG2 4.05Å; M524-V529 HydrophobicContact SD-CG2 4.41Å; T525-V529 WeakPolarHBondContact O-CG2 3.44Å; T525-V529 PolarHBondContact O-N 3.04Å; A526-V529 PolarHBondContact O-N 3.08Å; V529-Q531 PolarHBondContact O-N 3.16Å; V529-Q532 PolarHBondContact O-N 2.63Å; V529-M533 HydrophobicContact CG1-CG 4.14Å; V529-M533 WeakPolarHBondContact O-CB 3.36Å; V529-M533 WeakPolarHBondContact O-CG 3.35Å; V529-M533 PolarHBondContact O-N 3.33Å
530	H	94.2	Very high	79.4	Confident	10 Å²	10	64.6 Å²	64.6	5%	0.046	41%	0.406	C	S	.	.	H	α-helix	trans	-60.4	-45.1	175.2	-72.1	150.4	0	0	0	112.2	W456 G458 G460 A526 E527 E528 M533 G534 I535	W456-H530 WeakPolarHBondContact CB-NE2 3.27Å; W456-H530 AromaticContact CG-CD2 3.83Å; W456-H530 AromaticContact CG-NE2 3.83Å; G458-H530 VanDerWaalsContact C-CE1 3.4Å; G458-H530 VanDerWaalsContact CA-CE1 3.43Å; G458-H530 WeakPolarHBondContact CA-CE1 3.46Å; G460-H530 PolarHBondContact O-CE1 2.79Å; G460-H530 PolarHBondContact O-NE2 2.69Å; A526-H530 WeakPolarHBondContact O-CB 3.36Å; A526-H530 PolarHBondContact O-N 3.2Å; A526-H530 PolarHBondContact O-ND1 3.19Å; A526-H530 VanDerWaalsContact O-ND1 3.09Å; E527-H530 PolarHBondContact O-N 3.22Å; E528-H530 PolarHBondContact O-N 2.88Å; H530-M533 CarbonylContact O-C 3.39Å; H530-M533 PolarHBondContact O-N 2.79Å; H530-G534 PolarHBondContact O-N 3.15Å; H530-G534 VanDerWaalsContact O-N 3.09Å; H530-I535 HydrophobicContact CB-CB 4.08Å; H530-I535 PolarHBondContact O-N 2.84Å
531	Q	92.1	Very high	77.1	Confident	146 Å²	146	63.5 Å²	63.5	68%	0.682	42%	0.424	S	S	*	.	H	α-helix	trans	-61.6	-50.2	174.3	-73	167.3	82.1	0	0	111.1	E527 E528 V529 M533 G534	E527-Q531 VanDerWaalsContact O-CG 3.28Å; E527-Q531 WeakPolarHBondContact O-CG 3.41Å; E527-Q531 PolarHBondContact O-N 2.69Å; E527-Q531 PolarHBondContact O-NE2 3.24Å; E528-Q531 PolarHBondContact O-N 2.97Å; V529-Q531 PolarHBondContact O-N 3.16Å; Q531-M533 PolarHBondContact O-N 3.06Å; Q531-G534 PolarHBondContact O-N 3.2Å; Q531-G534 VanDerWaalsContact O-N 3.08Å
532	Q	89.6	Confident	74.7	Confident	63 Å²	63	66.7 Å²	66.7	29%	0.294	45%	0.448	S	S	.	.	H	α-helix	trans	-59.3	-30.5	177.5	-169.6	-177.3	8	0	0	112.5	R448 E528 V529	R448-Q532 PolarHBondContact NE-O 3.24Å; R448-Q532 PolarHBondContact NH2-O 2.83Å; E528-Q532 WeakPolarHBondContact O-CB 2.99Å; E528-Q532 PolarHBondContact O-N 2.85Å; V529-Q532 PolarHBondContact O-N 2.63Å
533	M	89.3	Confident	72.5	Confident	16 Å²	16	72.1 Å²	72.1	8%	0.079	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.3	179.7	-70.2	-63.3	-60.5	0	0	114.5	L445 M446 R448 V529 H530 Q531 I535	L445-M533 WeakPolarHBondContact O-CE 3.3Å; M446-M533 VanDerWaalsContact C-SD 3.58Å; R448-M533 HydrophobicContact CG-CE 4.13Å; R448-M533 HydrophobicContact CG-SD 4.01Å; V529-M533 HydrophobicContact CG1-CG 4.14Å; V529-M533 WeakPolarHBondContact O-CB 3.36Å; V529-M533 WeakPolarHBondContact O-CG 3.35Å; V529-M533 PolarHBondContact O-N 3.33Å; H530-M533 CarbonylContact O-C 3.39Å; H530-M533 PolarHBondContact O-N 2.79Å; Q531-M533 PolarHBondContact O-N 3.06Å; M533-I535 HydrophobicContact CB-CG1 4.03Å
534	G	88.9	Confident	70.5	Confident	46 Å²	46	76.4 Å²	76.4	47%	0.474	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	43.8	-178	0	0	0	0	0	112.5	K451 H530 Q531	K451-G534 PolarHBondContact NZ-O 2.82Å; H530-G534 PolarHBondContact O-N 3.15Å; H530-G534 VanDerWaalsContact O-N 3.09Å; Q531-G534 PolarHBondContact O-N 3.2Å; Q531-G534 VanDerWaalsContact O-N 3.08Å
535	I	84.4	Confident	68.2	Low	24 Å²	24	82.8 Å²	82.8	12%	0.123	52%	0.519	C	S	.	.			trans	-100.9	114.7	172.3	-53.2	-62.3	0	0	0	107.2	K451 W456 H530 M533 G537	K451-I535 HydrophobicContact CD-CD1 4.31Å; W456-I535 HydrophobicContact CB-CG1 4.37Å; H530-I535 HydrophobicContact CB-CB 4.08Å; H530-I535 PolarHBondContact O-N 2.84Å; M533-I535 HydrophobicContact CB-CG1 4.03Å; I535-G537 PolarHBondContact O-N 2.91Å
536	R	70.6	Confident	65.7	Low	245 Å²	245	85.3 Å²	85.3	93%	0.925	54%	0.544	S	S	*	.			trans	-70.4	123.8	172.1	-73.2	-175.5	173.2	-136	3	108.3	G538	R536-G538 PolarHBondContact O-N 2.87Å
537	G	56.4	Low	63	Low	62 Å²	62	90.4 Å²	90.4	64%	0.639	59%	0.587	S	S	*	*			trans	-62.8	124.8	175.9	0	0	0	0	0	110.9	I535 G539	I535-G537 PolarHBondContact O-N 2.91Å; G537-G539 VanDerWaalsContact C-N 3.31Å; G537-G539 PolarHBondContact O-N 3.21Å
538	G	42.9	Very low	60.3	Low	76 Å²	76	93.7 Å²	93.7	78%	0.784	60%	0.602	S	S	*	*			trans	-77.8	68.1	-171.4	0	0	0	0	0	114.3	R536 G540	R536-G538 PolarHBondContact O-N 2.87Å; G538-G540 PolarHBondContact O-N 2.95Å
539	G	38.1	Very low	57.5	Low	81 Å²	81	95 Å²	95	84%	0.835	62%	0.622	S	S	*	*			trans	-77.2	56.2	177.9	0	0	0	0	0	114.9	G537	G537-G539 VanDerWaalsContact C-N 3.31Å; G537-G539 PolarHBondContact O-N 3.21Å
540	G	33.5	Very low	55.2	Low	70 Å²	70	101.6 Å²	101.6	72%	0.722	66%	0.656	S	S	*	*			trans	68.4	-173.8	176.9	0	0	0	0	0	115	G538	G538-G540 PolarHBondContact O-N 2.95Å
541	G	32.5	Very low	52.4	Low	85 Å²	85	104.5 Å²	104.5	88%	0.876	69%	0.688	S	S	*	*			trans	92.1	130.1	179.5	0	0	0	0	0	113.8
542	C	33	Very low	49.4	Very low	106 Å²	106	101.2 Å²	101.2	72%	0.716	69%	0.693	S	S	*	*			trans	-86.9	174.9	169.1	44	0	0	0	0	111.3
543	D	37.2	Very low	46.8	Very low	133 Å²	133	105.2 Å²	105.2	71%	0.711	72%	0.722	S	S	*	*			trans	84.4	133.2	156	-47.7	-37.3	0	0	0	120.9
544	D	44.9	Very low	44	Very low	157 Å²	157	116 Å²	116	84%	0.84	76%	0.762	S	S	*	*			trans	69.1	133.7	152.1	-62	-29.4	0	0	0	124.7
545	D	37	Very low	41.3	Very low	169 Å²	169	117.7 Å²	117.7	90%	0.904	77%	0.771	S	S	*	*			trans	-62.9	124	168.4	-72	-99.2	0	0	0	112.8
546	A	41.5	Very low	38.7	Very low	99 Å²	99	121.6 Å²	121.6	82%	0.818	80%	0.799	S	S	*	*			trans	-137.4	102.9	160.3	0	0	0	0	0	110.2
547	A	35.9	Very low	36.9	Very low	111 Å²	111	119.1 Å²	119.1	92%	0.917	80%	0.801	S	S	*	*			trans	-79.1	119.1	172.4	0	0	0	0	0	110
548	E	38.9	Very low	35.7	Very low	171 Å²	171	123.2 Å²	123.2	80%	0.799	81%	0.808	S	S	*	*			trans	-110.6	121.8	171.3	-160.1	177.4	-177.1	0	0	111.6	I550	E548-I550 HydrophobicContact CG-CG1 4.39Å; E548-I550 PolarHBondContact O-N 2.99Å
549	S	34.2	Very low	35.2	Very low	125 Å²	125	123.9 Å²	123.9	87%	0.874	81%	0.806	S	S	*	*			trans	-96	91.1	-177.3	-172.7	0	0	0	0	111
550	I	44.3	Very low	35.4	Very low	139 Å²	139	126.7 Å²	126.7	71%	0.713	81%	0.807	S	S	*	*			trans	-132.8	133.4	165.8	-52.1	179.5	0	0	0	107.3	E548	E548-I550 HydrophobicContact CG-CG1 4.39Å; E548-I550 PolarHBondContact O-N 2.99Å
551	G	34.8	Very low	35.3	Very low	71 Å²	71	129 Å²	129	73%	0.732	80%	0.803	S	S	*	*			cis	161.1	57.8	2.2	0	0	0	0	0	111.6
552	G	29.7	Very low	35.8	Very low	76 Å²	76	130.6 Å²	130.6	78%	0.784	80%	0.795	S	S	*	*			trans	76.6	95.3	166.2	0	0	0	0	0	117.8
553	V	34.9	Very low	35.9	Very low	148 Å²	148	130.6 Å²	130.6	90%	0.897	80%	0.796	S	S	*	*			trans	-130.7	135.5	139	-176.2	0	0	0	0	107.5
554	R	29.9	Very low	36.2	Very low	241 Å²	241	129.1 Å²	129.1	91%	0.909	79%	0.792	S	S	*	*			trans	-122.5	151.2	178	-174	173.8	-176	163	3.3	109.4
555	A	31.8	Very low	35.8	Very low	82 Å²	82	125.5 Å²	125.5	68%	0.678	79%	0.791	S	S	*	*			trans	73	149.3	-170.4	0	0	0	0	0	113.5
556	C	29.8	Very low	35.8	Very low	106 Å²	106	125.4 Å²	125.4	72%	0.716	79%	0.785	S	S	*	*			cis	-120	135.6	4.2	-49.5	0	0	0	0	111.5
557	M	33.4	Very low	35.8	Very low	194 Å²	194	126.5 Å²	126.5	96%	0.956	79%	0.787	S	S	*	*			trans	-121.1	88	159.4	-79.1	-175.7	69.6	0	0	107.1
558	D	32.1	Very low	36.1	Very low	147 Å²	147	127.5 Å²	127.5	79%	0.786	78%	0.784	S	S	*	*			trans	-99.2	145.2	172.3	-78	-68.5	0	0	0	110.6
559	A	32.5	Very low	36.4	Very low	90 Å²	90	123 Å²	123	74%	0.744	78%	0.784	S	S	*	*			trans	-83.6	129.8	-159.3	0	0	0	0	0	113.6	D561	A559-D561 VanDerWaalsContact C-N 3.27Å; A559-D561 PolarHBondContact O-N 3.17Å
560	V	40.9	Very low	36.9	Very low	141 Å²	141	123.5 Å²	123.5	86%	0.855	78%	0.784	S	S	*	*			trans	-81.4	82.7	146	-82.5	0	0	0	0	108.2	V562	V560-V562 PolarHBondContact O-N 3.11Å
561	D	32.7	Very low	36.8	Very low	118 Å²	118	120.7 Å²	120.7	63%	0.631	79%	0.79	S	S	*	*			trans	-62.5	122.2	172.5	-173.2	-82	0	0	0	109.9	A559 S563	A559-D561 VanDerWaalsContact C-N 3.27Å; A559-D561 PolarHBondContact O-N 3.17Å; D561-S563 WeakPolarHBondContact OD1-CA 3.29Å; D561-S563 WeakPolarHBondContact OD1-CB 3.43Å; D561-S563 PolarHBondContact OD1-N 3.38Å; D561-S563 PolarHBondContact OD1-OG 2.72Å
562	V	41.7	Very low	37	Very low	119 Å²	119	121 Å²	121	72%	0.721	79%	0.793	S	S	*	*			trans	-102.2	76.3	174.7	-173.1	0	0	0	0	108	V560 V564	V560-V562 PolarHBondContact O-N 3.11Å; V562-V564 VanDerWaalsContact C-N 3.29Å; V562-V564 HydrophobicContact CG1-CG2 4.15Å; V562-V564 PolarHBondContact O-N 3.23Å
563	S	36.5	Very low	37.5	Very low	105 Å²	105	122.9 Å²	122.9	73%	0.734	80%	0.801	S	S	*	*			trans	-60.7	83.8	175.7	-82.9	0	0	0	0	112.2	D561 G565	D561-S563 WeakPolarHBondContact OD1-CA 3.29Å; D561-S563 WeakPolarHBondContact OD1-CB 3.43Å; D561-S563 PolarHBondContact OD1-N 3.38Å; D561-S563 PolarHBondContact OD1-OG 2.72Å; S563-G565 PolarHBondContact O-N 3.18Å
564	V	42.1	Very low	37.8	Very low	103 Å²	103	119.4 Å²	119.4	62%	0.624	80%	0.795	S	S	*	*			trans	-79.4	92.6	169	178.3	0	0	0	0	108.6	V562 Q566	V562-V564 VanDerWaalsContact C-N 3.29Å; V562-V564 HydrophobicContact CG1-CG2 4.15Å; V562-V564 PolarHBondContact O-N 3.23Å; V564-Q566 HydrophobicContact CG1-CG 4.18Å; V564-Q566 PolarHBondContact O-N 3.23Å
565	G	36.6	Very low	38.2	Very low	80 Å²	80	115.3 Å²	115.3	83%	0.825	79%	0.786	S	S	*	*			trans	-65.8	104.2	173.7	0	0	0	0	0	112	S563	S563-G565 PolarHBondContact O-N 3.18Å
566	Q	38.4	Very low	38.5	Very low	167 Å²	167	119.1 Å²	119.1	78%	0.78	79%	0.79	S	S	*	*			trans	-120.5	110.9	166	-75.2	-179.3	10.8	0	0	109.6	V564	V564-Q566 HydrophobicContact CG1-CG 4.18Å; V564-Q566 PolarHBondContact O-N 3.23Å
567	S	40.4	Very low	38.8	Very low	123 Å²	123	122.3 Å²	122.3	86%	0.86	79%	0.794	S	S	*	*			trans	-78.7	130.7	170.1	-65.4	0	0	0	0	109.8
568	P	43.2	Very low	38.9	Very low	131 Å²	131	117.6 Å²	117.6	85%	0.851	79%	0.786	S	S	*	*			trans	-80.8	139.5	177.3	32	-33.7	0	0	0	111.8
569	G	44.6	Very low	39.3	Very low	77 Å²	77	119.1 Å²	119.1	79%	0.794	79%	0.786	S	S	*	*			trans	-131.5	120.5	168.8	0	0	0	0	0	110
570	P	45.8	Very low	39.2	Very low	136 Å²	136	124.9 Å²	124.9	88%	0.883	79%	0.788	S	S	*	*			trans	-98.9	150.5	-171.9	36.2	-34.4	0	0	0	114.5
571	G	40.6	Very low	38.9	Very low	80 Å²	80	128.6 Å²	128.6	83%	0.825	79%	0.787	S	S	*	*			trans	147.8	134.4	161.5	0	0	0	0	0	115.6
572	G	38.8	Very low	39.1	Very low	78 Å²	78	129.5 Å²	129.5	80%	0.804	79%	0.788	S	S	*	*			trans	81.7	101.5	177.7	0	0	0	0	0	113.2
573	A	41.9	Very low	38.5	Very low	114 Å²	114	128.6 Å²	128.6	94%	0.942	79%	0.786	S	S	*	*			cis	66.2	120.6	44.5	0	0	0	0	0	114.5
574	G	39.6	Very low	38.9	Very low	75 Å²	75	129.4 Å²	129.4	77%	0.773	79%	0.789	S	S	*	*			trans	125.3	66.1	-167.9	0	0	0	0	0	111.9
575	E	38.4	Very low	38.7	Very low	155 Å²	155	131.5 Å²	131.5	72%	0.724	80%	0.797	S	S	*	*				84.9	106	69.2	-168.5	71.3	164.7	0	0	113.8
576	Q	38.3	Very low	38.8	Very low	163 Å²	163	132.8 Å²	132.8	76%	0.762	79%	0.793	S	S	*	*			trans	40.8	115.5	156.6	-55.7	-174.9	55.8	0	0	121.6
577	Q	37.1	Very low	38.7	Very low	172 Å²	172	133.7 Å²	133.7	80%	0.804	80%	0.8	S	S	*	*				-160.1	128.8	106.9	-168.8	163.3	100.5	0	0	111.8
578	A	35.1	Very low	38.5	Very low	95 Å²	95	133.1 Å²	133.1	79%	0.785	79%	0.794	S	S	*	*			trans	-94.8	138.4	177.3	0	0	0	0	0	112.2
579	K	41.4	Very low	38.2	Very low	180 Å²	180	134 Å²	134	78%	0.783	79%	0.791	S	S	*	*			trans	-132.1	123.2	160.4	-76.6	-170.9	177	175.9	0	111
580	R	28.4	Very low	37.6	Very low	210 Å²	210	138.3 Å²	138.3	79%	0.792	79%	0.791	S	S	*	*			trans	-103.3	115.9	-170.7	166.1	-167.4	176.2	-163.1	1.6	110
581	W	36.3	Very low	37.2	Very low	220 Å²	220	140.3 Å²	140.3	83%	0.833	79%	0.793	S	S	*	*			trans	-144.9	99.1	161.4	-65.5	102.2	0	0	0	105.9
582	Q	36.5	Very low	37.1	Very low	137 Å²	137	151.3 Å²	151.3	64%	0.64	81%	0.809	S	S	*	*				68.1	111	82.5	-73.2	-177.7	-41	0	0	113.2
583	S	29.5	Very low	37	Very low	99 Å²	99	155 Å²	155	69%	0.692	81%	0.81	S	S	*	*			trans	-81.7	149.1	168.3	-172.6	0	0	0	0	110.5
584	P	44.6	Very low	36.8	Very low	123 Å²	123	157.1 Å²	157.1	80%	0.799	80%	0.803	S	S	*	*			trans	-110.5	98.8	153.3	33.6	-20.6	0	0	0	110.5
585	D	36.6	Very low	36.6	Very low	147 Å²	147	161.7 Å²	161.7	79%	0.786	80%	0.804	S	S	*	*			trans	-69.2	163.6	148.5	-79	-72.4	0	0	0	109.6
586	S	39.4	Very low	36.5	Very low	106 Å²	106	162.1 Å²	162.1	74%	0.741	81%	0.809	S	S	*	*			trans	67.5	97.1	175.2	-163.3	0	0	0	0	116.8
587	M	37.3	Very low	36.4	Very low	186 Å²	186	162 Å²	162	92%	0.916	81%	0.812	S	S	*	*				-148.9	125	112.7	-116.7	177	-68.3	0	0	110.6
588	C	35.6	Very low	36.3	Very low	111 Å²	111	161.3 Å²	161.3	75%	0.75	81%	0.813	S	S	*	*			trans	-94.2	173	169.9	-67.5	0	0	0	0	110.4
589	L	35.9	Very low	36.4	Very low	149 Å²	149	166.1 Å²	166.1	78%	0.78	82%	0.815	S	S	*	*			trans	80	132.5	164.5	-62.4	167.6	0	0	0	118.3
590	E	33.1	Very low	36.1	Very low	169 Å²	169	165 Å²	165	79%	0.79	82%	0.817	S	S	*	*			trans	53.4	109.7	146.8	-65.7	168.1	88.6	0	0	119.8
591	L	37.5	Very low	36.7	Very low	178 Å²	178	161.3 Å²	161.3	93%	0.932	82%	0.819	S	S	*	*				-139.3	130.6	119.4	-107.9	169.1	0	0	0	110.8
592	R	38.2	Very low	36.7	Very low	310 Å²	310	155.9 Å²	155.9	100%	1.17	82%	0.818	S	S	*	*			trans	-34.3	0	177.6	-171.2	-175.4	-158.5	159.4	5.1	117.8

Retrieved 592 of 592 residues in 258.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).