A0A077Z8B6_TRITR Loading...

Neurogenic locus notch protein

AlphaFold DB , UniProt , Accession A0A077Z8B6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 416 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	41.2	Very low	34.9	Very low	229 Å²	229	145.9 Å²	145.9	100%	1.128	74%	0.736	S	S	*	*				0	64.2	0	-75.3	-173.2	-81.1	0	0	110	K3	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 2.97Å
2	F	34	Very low	34.7	Very low	204 Å²	204	144.6 Å²	144.6	90%	0.895	73%	0.73	S	S	*	*			trans	-99.7	48.9	-177	-88.7	-91.6	0	0	0	110.6	L4	F2-L4 VanDerWaalsContact C-N 3.33Å
3	K	38.4	Very low	34.4	Very low	195 Å²	195	141.6 Å²	141.6	85%	0.848	72%	0.717	S	S	*	*			trans	-92.2	14.9	-179.6	-85.5	-171.1	173	-176.5	0	113.5	M1	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 2.97Å
4	L	36.4	Very low	34.1	Very low	152 Å²	152	141.9 Å²	141.9	80%	0.796	71%	0.714	S	S	*	*	S	Bend	trans	-112.1	2.4	-173.7	-98	136.8	0	0	0	115.2	F2	F2-L4 VanDerWaalsContact C-N 3.33Å
5	W	33.6	Very low	33.7	Very low	213 Å²	213	145.7 Å²	145.7	81%	0.807	73%	0.725	S	S	*	*	S	Bend	trans	-103.6	-1	176.1	-92.4	45.3	0	0	0	114.4	L7	W5-L7 VanDerWaalsContact C-N 3.32Å; W5-L7 PolarHBondContact O-N 3.43Å
6	A	35.6	Very low	33.4	Very low	71 Å²	71	144.7 Å²	144.7	59%	0.587	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-10.3	179.2	0	0	0	0	0	113.9
7	L	35.8	Very low	33.1	Very low	133 Å²	133	140.8 Å²	140.8	70%	0.696	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-3.5	-172	-80.3	155	0	0	0	114.8	W5	W5-L7 VanDerWaalsContact C-N 3.32Å; W5-L7 PolarHBondContact O-N 3.43Å
8	C	30.2	Very low	32.9	Very low	88 Å²	88	137.2 Å²	137.2	60%	0.595	71%	0.713	S	S	*	*	S	Bend	trans	-105.9	-8	173.7	-115.7	0	0	0	0	113.8	L10	C8-L10 VanDerWaalsContact C-N 3.32Å
9	I	34.3	Very low	32.7	Very low	107 Å²	107	135.8 Å²	135.8	55%	0.549	72%	0.723	S	S	.	*	S	Bend	trans	-84.8	-14.5	173.3	-61.7	176.5	0	0	0	110.6	L13	I9-L13 HydrophobicContact CG2-CD1 3.81Å
10	L	31.7	Very low	32.5	Very low	124 Å²	124	134.9 Å²	134.9	65%	0.649	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-6.4	-179.8	-93.1	153.1	0	0	0	115	C8	C8-L10 VanDerWaalsContact C-N 3.32Å
11	T	32.8	Very low	32.1	Very low	89 Å²	89	135.4 Å²	135.4	55%	0.546	73%	0.725	S	S	.	*	T	Hydrogen-bonded Turn	trans	-131.8	2.7	-178.9	49.4	0	0	0	0	114.3
12	I	33	Very low	31.4	Very low	130 Å²	130	131.7 Å²	131.7	67%	0.667	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	-9.5	177.8	-60.2	177.4	0	0	0	112.4	E14	I12-E14 PolarHBondContact O-N 3.02Å
13	L	29.7	Very low	31.2	Very low	106 Å²	106	130.2 Å²	130.2	56%	0.555	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	10.3	160.6	-102.8	143.2	0	0	0	113	I9	I9-L13 HydrophobicContact CG2-CD1 3.81Å
14	E	30.6	Very low	30.8	Very low	146 Å²	146	125.6 Å²	125.6	68%	0.682	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-0.5	172.7	-71.2	-165	145.6	0	0	113.5	I12	I12-E14 PolarHBondContact O-N 3.02Å
15	F	28.9	Very low	30.5	Very low	199 Å²	199	124.2 Å²	124.2	87%	0.873	69%	0.687	S	S	*	*	S	Bend	trans	-136.9	-9.6	178.2	-99.6	-90.5	0	0	0	117.5
16	V	28.3	Very low	30.3	Very low	129 Å²	129	117.5 Å²	117.5	78%	0.782	68%	0.677	S	S	*	*	S	Bend	trans	-140.7	68.4	177.2	-167	0	0	0	0	112.1
17	S	29	Very low	30.4	Very low	79 Å²	79	115.7 Å²	115.7	55%	0.552	66%	0.66	S	S	*	*			trans	-144.2	109.2	137.2	57.2	0	0	0	0	104.4
18	A	28.7	Very low	30.2	Very low	76 Å²	76	112.1 Å²	112.1	63%	0.628	65%	0.65	S	S	*	*				50.6	89.2	96	0	0	0	0	0	109.6	V20	A18-V20 VanDerWaalsContact C-N 3.28Å; A18-V20 PolarHBondContact O-N 2.83Å
19	A	30	Very low	30.4	Very low	110 Å²	110	116.6 Å²	116.6	91%	0.909	65%	0.654	S	S	*	*	S	Bend		72.6	14.6	93.2	0	0	0	0	0	115.4
20	V	27.9	Very low	30.6	Very low	118 Å²	118	114.8 Å²	114.8	72%	0.715	65%	0.645	S	S	*	*			trans	-125.7	-16.7	-167.9	179.9	0	0	0	0	116.2	A18	A18-V20 VanDerWaalsContact C-N 3.28Å; A18-V20 PolarHBondContact O-N 2.83Å
21	L	24.5	Very low	31	Very low	145 Å²	145	111.8 Å²	111.8	76%	0.759	63%	0.632	S	S	*	*			trans	-147.4	89.8	-173.2	-81.8	151.6	0	0	0	112.6
22	N	26.9	Very low	31.2	Very low	152 Å²	152	111.9 Å²	111.9	81%	0.813	63%	0.629	S	S	*	*	S	Bend	trans	-165	119.4	142.1	-101	-16.1	0	0	0	109.8
23	H	28.4	Very low	31.7	Very low	173 Å²	173	111.4 Å²	111.4	80%	0.801	62%	0.623	S	S	*	*	S	Bend	trans	66.8	83.5	178.4	-57.5	-75.2	0	0	0	116.6
24	T	30.4	Very low	32.2	Very low	97 Å²	97	107.1 Å²	107.1	60%	0.595	60%	0.601	S	S	*	*			trans	167.3	85.5	155	35.1	0	0	0	0	109.4	T88	T24-T88 HydrophobicContact CG2-CG2 3.55Å
25	N	29.3	Very low	32.7	Very low	123 Å²	123	102.2 Å²	102.2	66%	0.658	58%	0.58	S	S	*	*			trans	-135.9	22.9	179.2	-115.1	-11.7	0	0	0	114.8
26	A	29.7	Very low	33.3	Very low	73 Å²	73	97.4 Å²	97.4	60%	0.603	56%	0.56	S	S	*	*	S	Bend	trans	-119.7	8	178.6	0	0	0	0	0	114.7
27	S	38.6	Very low	33.8	Very low	33 Å²	33	92.8 Å²	92.8	23%	0.231	53%	0.532	C	S	.	.	S	Bend	trans	-125	-28.8	-175.5	66.7	0	0	0	0	115.2	V31 T88	S27-V31 WeakPolarHBondContact O-CG2 3.23Å; S27-V31 PolarHBondContact O-N 2.91Å; S27-T88 WeakPolarHBondContact CB-OG1 3.35Å; S27-T88 VanDerWaalsContact OG-CB 3.22Å; S27-T88 WeakPolarHBondContact OG-CB 3.36Å; S27-T88 WeakPolarHBondContact OG-CG2 3.25Å; S27-T88 PolarHBondContact OG-OG1 2.93Å
28	A	31.3	Very low	34.4	Very low	58 Å²	58	90.5 Å²	90.5	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-78.2	-34.9	178.8	0	0	0	0	0	112.6	L32	A28-L32 VanDerWaalsContact O-CB 3.31Å; A28-L32 WeakPolarHBondContact O-CB 3.43Å; A28-L32 PolarHBondContact O-N 3.18Å
29	R	33.7	Very low	34.9	Very low	182 Å²	182	91.9 Å²	91.9	69%	0.687	51%	0.51	S	S	*	.	H	α-helix	trans	-64.6	-40.2	175.1	-87.1	-173.1	-170	167.2	4	112.1	L32 Q33	R29-L32 PolarHBondContact O-N 3.49Å; R29-Q33 WeakPolarHBondContact O-CB 3.21Å; R29-Q33 PolarHBondContact O-N 2.83Å
30	D	40.1	Very low	35.3	Very low	69 Å²	69	94.3 Å²	94.3	37%	0.369	50%	0.503	S	S	.	.	H	α-helix	trans	-70.4	-36	-178	-65.5	-8.3	0	0	0	111.4	L34	D30-L34 WeakPolarHBondContact O-CB 3.32Å; D30-L34 PolarHBondContact O-N 2.92Å
31	V	39.3	Very low	36	Very low	60 Å²	60	97.1 Å²	97.1	36%	0.364	51%	0.505	S	S	.	.	H	α-helix	trans	-71.4	-41.4	172.1	176.3	0	0	0	0	111.3	S27 Q33 L34 L35	S27-V31 WeakPolarHBondContact O-CG2 3.23Å; S27-V31 PolarHBondContact O-N 2.91Å; V31-Q33 VanDerWaalsContact C-N 3.35Å; V31-L34 WeakPolarHBondContact O-CB 2.97Å; V31-L34 PolarHBondContact O-N 2.81Å; V31-L35 HydrophobicContact CG1-CD1 3.99Å; V31-L35 HydrophobicContact CG1-CG 4.36Å; V31-L35 WeakPolarHBondContact O-CB 3.46Å; V31-L35 WeakPolarHBondContact O-CG 3.34Å; V31-L35 PolarHBondContact O-N 2.84Å
32	L	37.7	Very low	36.6	Very low	92 Å²	92	92.7 Å²	92.7	48%	0.482	49%	0.487	S	S	.	.	H	α-helix	trans	-62.8	-41.2	173.5	-100.4	142	0	0	0	111.9	A28 R29 L34 L35 E36	A28-L32 VanDerWaalsContact O-CB 3.31Å; A28-L32 WeakPolarHBondContact O-CB 3.43Å; A28-L32 PolarHBondContact O-N 3.18Å; R29-L32 PolarHBondContact O-N 3.49Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L35 CarbonylContact O-C 3.47Å; L32-L35 PolarHBondContact O-N 2.9Å; L32-E36 VanDerWaalsContact O-CB 3.29Å; L32-E36 WeakPolarHBondContact O-CB 3.42Å; L32-E36 VanDerWaalsContact O-CG 3.27Å; L32-E36 WeakPolarHBondContact O-CG 2.99Å; L32-E36 PolarHBondContact O-N 2.79Å
33	Q	41.9	Very low	37	Very low	119 Å²	119	89.4 Å²	89.4	56%	0.556	49%	0.488	S	S	*	.	H	α-helix	trans	-67.2	-36.3	176.2	-164.5	167.5	17.6	0	0	110.9	R29 V31 T37	R29-Q33 WeakPolarHBondContact O-CB 3.21Å; R29-Q33 PolarHBondContact O-N 2.83Å; V31-Q33 VanDerWaalsContact C-N 3.35Å; Q33-T37 VanDerWaalsContact O-CB 3.22Å; Q33-T37 WeakPolarHBondContact O-CB 3.5Å; Q33-T37 PolarHBondContact O-N 3Å; Q33-T37 PolarHBondContact O-OG1 2.96Å
34	L	41.5	Very low	37.2	Very low	16 Å²	16	83.1 Å²	83.1	8%	0.084	46%	0.464	C	S	.	.	H	α-helix	trans	-62.3	-46.8	169.9	-170.2	79.2	0	0	0	111.2	D30 V31 L32 T37 L38 I82 L94	D30-L34 WeakPolarHBondContact O-CB 3.32Å; D30-L34 PolarHBondContact O-N 2.92Å; V31-L34 WeakPolarHBondContact O-CB 2.97Å; V31-L34 PolarHBondContact O-N 2.81Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L34-T37 PolarHBondContact O-N 2.9Å; L34-L38 HydrophobicContact CG-CD1 4.15Å; L34-L38 VanDerWaalsContact O-CB 3.3Å; L34-L38 WeakPolarHBondContact O-CB 3.01Å; L34-L38 WeakPolarHBondContact O-CD1 3.05Å; L34-L38 WeakPolarHBondContact O-CG 3.39Å; L34-L38 PolarHBondContact O-N 3.21Å; L34-I82 HydrophobicContact CD1-CD1 3.88Å; L34-I82 HydrophobicContact CD2-CD1 3.91Å; L34-I82 HydrophobicContact CG-CD1 4.48Å; L34-L94 HydrophobicContact CD2-CD1 3.82Å
35	L	41	Very low	37.5	Very low	44 Å²	44	80.7 Å²	80.7	23%	0.23	45%	0.447	C	S	.	.	H	α-helix	trans	-66.8	-38.4	179.2	-68.6	170	0	0	0	112.2	V31 L32 N39 Y97	V31-L35 HydrophobicContact CG1-CD1 3.99Å; V31-L35 HydrophobicContact CG1-CG 4.36Å; V31-L35 WeakPolarHBondContact O-CB 3.46Å; V31-L35 WeakPolarHBondContact O-CG 3.34Å; V31-L35 PolarHBondContact O-N 2.84Å; L32-L35 CarbonylContact O-C 3.47Å; L32-L35 PolarHBondContact O-N 2.9Å; L35-N39 WeakPolarHBondContact O-CB 3.42Å; L35-N39 PolarHBondContact O-N 2.89Å; L35-N39 VanDerWaalsContact O-N 3.12Å; L35-Y97 HydrophobicContact CD2-CD1 3.5Å; L35-Y97 VanDerWaalsContact CD2-CD1 3.5Å; L35-Y97 HydrophobicContact CD2-CD2 3.56Å; L35-Y97 HydrophobicContact CD2-CE1 3.51Å; L35-Y97 HydrophobicContact CD2-CE2 3.55Å; L35-Y97 HydrophobicContact CD2-CG 3.52Å
36	E	41.2	Very low	37.8	Very low	98 Å²	98	80.6 Å²	80.6	46%	0.458	44%	0.442	S	S	.	.	H	α-helix	trans	-69.7	-41.4	175	-76.6	171.4	175.8	0	0	110.8	L32 N39 E40	L32-E36 VanDerWaalsContact O-CB 3.29Å; L32-E36 WeakPolarHBondContact O-CB 3.42Å; L32-E36 VanDerWaalsContact O-CG 3.27Å; L32-E36 WeakPolarHBondContact O-CG 2.99Å; L32-E36 PolarHBondContact O-N 2.79Å; E36-N39 CarbonylContact O-C 3.4Å; E36-N39 WeakPolarHBondContact O-CA 3.45Å; E36-N39 WeakPolarHBondContact O-CB 3.27Å; E36-N39 PolarHBondContact O-N 3.14Å; E36-E40 WeakPolarHBondContact O-CB 3.04Å; E36-E40 WeakPolarHBondContact O-CG 3.22Å; E36-E40 PolarHBondContact O-N 3.33Å
37	T	39.5	Very low	38	Very low	31 Å²	31	79.6 Å²	79.6	19%	0.19	43%	0.429	C	S	.	.	H	α-helix	trans	-69	-36.9	177.5	-51	0	0	0	0	112.2	Q33 L34 N39 K41 W80	Q33-T37 VanDerWaalsContact O-CB 3.22Å; Q33-T37 WeakPolarHBondContact O-CB 3.5Å; Q33-T37 PolarHBondContact O-N 3Å; Q33-T37 PolarHBondContact O-OG1 2.96Å; L34-T37 PolarHBondContact O-N 2.9Å; T37-N39 PolarHBondContact O-N 3.38Å; T37-K41 PolarHBondContact O-N 3.18Å; T37-W80 HydrophobicContact CG2-CH2 3.4Å; T37-W80 HydrophobicContact CG2-CZ2 3.66Å; T37-W80 HydrophobicContact CG2-CZ3 4.11Å
38	L	40.3	Very low	38	Very low	31 Å²	31	78.9 Å²	78.9	16%	0.162	42%	0.424	C	S	.	.	H	α-helix	trans	-66.9	-18.9	169.5	-71.6	169.8	0	0	0	112.7	L34 I45 Y97	L34-L38 HydrophobicContact CG-CD1 4.15Å; L34-L38 VanDerWaalsContact O-CB 3.3Å; L34-L38 WeakPolarHBondContact O-CB 3.01Å; L34-L38 WeakPolarHBondContact O-CD1 3.05Å; L34-L38 WeakPolarHBondContact O-CG 3.39Å; L34-L38 PolarHBondContact O-N 3.21Å; L38-I45 HydrophobicContact CD2-CD1 4.02Å; L38-I45 HydrophobicContact CD2-CG1 4.39Å; L38-Y97 HydrophobicContact CD1-CE1 4.27Å
39	N	39.5	Very low	38.3	Very low	106 Å²	106	78.8 Å²	78.8	57%	0.567	42%	0.419	S	S	*	.	H	α-helix	trans	-96.3	-32.1	179.6	-160.4	47.1	0	0	0	112.8	L35 E36 T37	L35-N39 WeakPolarHBondContact O-CB 3.42Å; L35-N39 PolarHBondContact O-N 2.89Å; L35-N39 VanDerWaalsContact O-N 3.12Å; E36-N39 CarbonylContact O-C 3.4Å; E36-N39 WeakPolarHBondContact O-CA 3.45Å; E36-N39 WeakPolarHBondContact O-CB 3.27Å; E36-N39 PolarHBondContact O-N 3.14Å; T37-N39 PolarHBondContact O-N 3.38Å
40	E	38.8	Very low	38.5	Very low	161 Å²	161	71.4 Å²	71.4	75%	0.752	40%	0.396	S	S	*	.	H	α-helix	trans	-92.8	-28.1	-172.9	-75.8	-174.1	162.8	0	0	114.5	E36	E36-E40 WeakPolarHBondContact O-CB 3.04Å; E36-E40 WeakPolarHBondContact O-CG 3.22Å; E36-E40 PolarHBondContact O-N 3.33Å
41	K	41.9	Very low	38.4	Very low	176 Å²	176	73 Å²	73	77%	0.765	40%	0.403	S	S	*	.	S	Bend	trans	-104.3	-8.4	-174.3	-84.3	-173.1	175.1	-179.6	0	116.7	T37	T37-K41 PolarHBondContact O-N 3.18Å
42	S	37.4	Very low	38.3	Very low	53 Å²	53	70.4 Å²	70.4	37%	0.371	39%	0.388	S	S	.	.			trans	-160.8	113.8	171.4	58.9	0	0	0	0	110.6	S44	S42-S44 PolarHBondContact O-N 2.97Å
43	G	34.7	Very low	38.4	Very low	82 Å²	82	67.1 Å²	67.1	85%	0.845	37%	0.371	S	S	*	.	S	Bend	trans	-61	7.5	174.9	0	0	0	0	0	115.7
44	S	34	Very low	38.2	Very low	41 Å²	41	62.4 Å²	62.4	29%	0.287	35%	0.349	S	S	.	.	S	Bend	trans	-162.2	117.5	179.4	38	0	0	0	0	108.5	S42 H46	S42-S44 PolarHBondContact O-N 2.97Å; S44-H46 PolarHBondContact O-N 3.47Å; S44-H46 VanDerWaalsContact O-N 3.12Å; S44-H46 PolarHBondContact OG-CD2 3Å; S44-H46 PolarHBondContact OG-NE2 3.3Å
45	I	36.1	Very low	38.1	Very low	47 Å²	47	63.4 Å²	63.4	24%	0.241	35%	0.354	C	S	.	.			trans	-70.8	104.9	161.4	-60.9	171.4	0	0	0	104.9	L38 P47 L98	L38-I45 HydrophobicContact CD2-CD1 4.02Å; L38-I45 HydrophobicContact CD2-CG1 4.39Å; I45-P47 VanDerWaalsContact O-CD 3.23Å; I45-P47 WeakPolarHBondContact O-CD 3.38Å; I45-L98 HydrophobicContact CD1-CD2 4.1Å
46	H	34.8	Very low	38.4	Very low	120 Å²	120	63.8 Å²	63.8	56%	0.556	36%	0.355	S	S	*	.			trans	-80.3	113.8	176.8	-78.2	-71.7	0	0	0	109	S44	S44-H46 PolarHBondContact O-N 3.47Å; S44-H46 VanDerWaalsContact O-N 3.12Å; S44-H46 PolarHBondContact OG-CD2 3Å; S44-H46 PolarHBondContact OG-NE2 3.3Å
47	P	34.9	Very low	38.5	Very low	52 Å²	52	64.8 Å²	64.8	34%	0.338	36%	0.36	S	S	.	.	S	Bend	trans	-59.8	146.2	168.8	24	-31	0	0	0	110.2	I45	I45-P47 VanDerWaalsContact O-CD 3.23Å; I45-P47 WeakPolarHBondContact O-CD 3.38Å
48	P	37.4	Very low	38.7	Very low	19 Å²	19	68.1 Å²	68.1	12%	0.123	38%	0.376	C	S	.	.			cis	-104	127	13.2	29.7	-18.2	0	0	0	114.1	V245 Y264	P48-V245 VanDerWaalsContact CD-CG1 3.49Å; P48-V245 HydrophobicContact CG-CB 3.77Å; P48-V245 HydrophobicContact CG-CG1 3.13Å; P48-V245 HydrophobicContact CG-CG2 4.08Å; P48-Y264 WeakPolarHBondContact CB-OH 3.28Å
49	C	38.3	Very low	38.8	Very low	55 Å²	55	72.6 Å²	72.6	37%	0.372	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.8	162	-53.1	0	0	0	0	108.6	C240	C49-C240 VanDerWaalsContact CA-O 3.31Å; C49-C240 WeakPolarHBondContact CA-O 3.44Å
50	S	38.3	Very low	38.9	Very low	28 Å²	28	76.4 Å²	76.4	20%	0.196	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	143.1	170.6	55	0	0	0	0	110.8	C240 H242	S50-C240 PolarHBondContact N-O 2.89Å; S50-C240 PolarHBondContact O-N 3.28Å; S50-C240 WeakPolarHBondContact OG-CB 3.42Å; S50-H242 PolarHBondContact OG-NE2 2.97Å
51	L	38.1	Very low	39	Very low	102 Å²	102	78.4 Å²	78.4	53%	0.534	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	115.8	175.4	-169.1	82.4	0	0	0	108.6	I53 V237 L239	L51-I53 HydrophobicContact CD2-CD1 4.17Å; L51-I53 HydrophobicContact CD2-CG1 4.25Å; L51-I53 HydrophobicContact CG-CG1 4.43Å; L51-V237 HydrophobicContact CD1-CG1 3.39Å; L51-V237 HydrophobicContact CG-CG1 4Å; L51-L239 HydrophobicContact CD1-CD2 4.26Å
52	A	37.2	Very low	39	Very low	6 Å²	6	73.6 Å²	73.6	5%	0.05	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.5	169.4	0	0	0	0	0	109	V237 V238	A52-V237 CarbonylContact O-C 3.54Å; A52-V237 WeakPolarHBondContact O-CA 2.99Å; A52-V238 HydrophobicContact CB-CB 4.22Å; A52-V238 PolarHBondContact N-O 2.8Å; A52-V238 PolarHBondContact O-N 2.81Å
53	I	38.7	Very low	39.5	Very low	22 Å²	22	73.2 Å²	73.2	11%	0.113	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.1	173.1	-52.6	-175.9	0	0	0	105.8	L51 M208 Y235 R236 V237	L51-I53 HydrophobicContact CD2-CD1 4.17Å; L51-I53 HydrophobicContact CD2-CG1 4.25Å; L51-I53 HydrophobicContact CG-CG1 4.43Å; I53-M208 WeakPolarHBondContact CD1-O 3.46Å; I53-Y235 HydrophobicContact CG2-CD1 4.48Å; I53-Y235 HydrophobicContact CG2-CG 4.31Å; I53-R236 CarbonylContact C-O 3.46Å; I53-R236 WeakPolarHBondContact CA-O 3.39Å; I53-V237 HydrophobicContact CG1-CG2 4.22Å; I53-V237 HydrophobicContact CG2-CG2 4.43Å
54	M	38.6	Very low	40	Very low	21 Å²	21	72 Å²	72	10%	0.103	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	163.8	-173.7	59.2	168.8	51.3	0	0	110.6	F62 A67 Y235 R236 V238	M54-F62 HydrophobicContact CE-CD1 4.21Å; M54-F62 HydrophobicContact CE-CE1 4.2Å; M54-A67 HydrophobicContact CE-CB 3.15Å; M54-Y235 CarbonylContact O-C 3.54Å; M54-Y235 VanDerWaalsContact O-C 3.28Å; M54-Y235 WeakPolarHBondContact O-CA 3.44Å; M54-Y235 WeakPolarHBondContact O-CB 3.38Å; M54-R236 HydrophobicContact CG-CB 3.66Å; M54-R236 HydrophobicContact CG-CG 4.43Å; M54-R236 WeakPolarHBondContact CG-O 3.45Å; M54-R236 PolarHBondContact N-O 3.28Å; M54-R236 PolarHBondContact O-N 3.26Å; M54-R236 HydrophobicContact SD-CB 4.08Å; M54-V238 HydrophobicContact CE-CB 4.47Å; M54-V238 HydrophobicContact CE-CG2 3.49Å; M54-V238 VanDerWaalsContact CE-CG2 3.49Å; M54-V238 HydrophobicContact CG-CG2 4.4Å; M54-V238 HydrophobicContact SD-CG2 3.9Å
55	H	39.1	Very low	40.4	Very low	37 Å²	37	75.8 Å²	75.8	17%	0.171	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	153.2	-176.9	-163	-85.4	0	0	0	114	Q57 E232 T233 G234	H55-Q57 PolarHBondContact CE1-OE1 2.76Å; H55-Q57 PolarHBondContact ND1-N 3.07Å; H55-E232 IonicContact CD2-OE2 2.94Å; H55-E232 PolarHBondContact CD2-OE2 2.81Å; H55-E232 WeakPolarHBondContact NE2-CB 2.99Å; H55-T233 VanDerWaalsContact CE1-C 3.49Å; H55-T233 PolarHBondContact CE1-O 2.99Å; H55-T233 VanDerWaalsContact NE2-C 3.33Å; H55-T233 PolarHBondContact NE2-N 3.06Å; H55-T233 PolarHBondContact NE2-O 2.04Å; H55-G234 CarbonylContact C-O 3.51Å; H55-G234 WeakPolarHBondContact CA-O 3.45Å; H55-G234 PolarHBondContact CD2-O 3.05Å
56	I	46.7	Very low	41	Very low	52 Å²	52	80.5 Å²	80.5	27%	0.267	41%	0.407	S	S	.	.	S	Bend	trans	-83.5	-24.1	-177.1	-77.1	172.3	0	0	0	113.4	D58 G234 Y235 R236	I56-D58 PolarHBondContact O-N 3.47Å; I56-G234 PolarHBondContact N-O 3.5Å; I56-Y235 VanDerWaalsContact CD1-O 3.28Å; I56-Y235 WeakPolarHBondContact CD1-O 3.29Å; I56-R236 HydrophobicContact CG1-CG 3.7Å
57	Q	45	Very low	41.6	Very low	118 Å²	118	75.2 Å²	75.2	55%	0.551	38%	0.384	S	S	*	.			trans	-79.6	-8.1	-167.1	-74.3	-176.6	-37.8	0	0	116	H55 T59 T233	H55-Q57 PolarHBondContact CE1-OE1 2.76Å; H55-Q57 PolarHBondContact ND1-N 3.07Å; Q57-T59 PolarHBondContact O-N 3.32Å; Q57-T233 PolarHBondContact NE2-OG1 2.77Å; Q57-T233 PolarHBondContact OE1-OG1 3.24Å
58	D	43.5	Very low	42.1	Very low	101 Å²	101	72.8 Å²	72.8	54%	0.54	37%	0.368	S	S	.	.			trans	-81.5	90.3	170.7	-82.3	-32	0	0	0	111.6	I56 K60	I56-D58 PolarHBondContact O-N 3.47Å; D58-K60 VanDerWaalsContact C-N 3.32Å
59	T	41.3	Very low	42.6	Very low	126 Å²	126	76 Å²	76	77%	0.773	38%	0.384	S	S	*	.			trans	-85.3	1.4	176	47.3	0	0	0	0	113.6	Q57	Q57-T59 PolarHBondContact O-N 3.32Å
60	K	41.7	Very low	42.9	Very low	186 Å²	186	77.9 Å²	77.9	81%	0.809	39%	0.39	S	S	*	.	S	Bend	trans	-103.6	99.4	175.3	-71.6	-177.7	178.2	178	0	110.2	D58 F62	D58-K60 VanDerWaalsContact C-N 3.32Å; K60-F62 PolarHBondContact O-N 2.02Å
61	E	42.1	Very low	43.1	Very low	203 Å²	203	78.5 Å²	78.5	95%	0.949	40%	0.395	S	S	*	.			trans	37	54.4	162.3	-72.9	-175.4	142	0	0	117.1	S63	E61-S63 PolarHBondContact O-N 3.43Å
62	F	41.4	Very low	43.2	Very low	74 Å²	74	78.2 Å²	78.2	33%	0.325	39%	0.386	S	S	.	.			trans	-83.5	116.8	171.7	-154.1	-94.8	0	0	0	110.9	M54 K60 A67	M54-F62 HydrophobicContact CE-CD1 4.21Å; M54-F62 HydrophobicContact CE-CE1 4.2Å; K60-F62 PolarHBondContact O-N 2.02Å; F62-A67 HydrophobicContact CE1-CB 3.92Å
63	S	48.7	Very low	43.2	Very low	46 Å²	46	82.8 Å²	82.8	32%	0.322	42%	0.415	S	S	.	.			trans	-76.5	126.1	176.7	175.9	0	0	0	0	110.7	E61 Q65 R66 A67	E61-S63 PolarHBondContact O-N 3.43Å; S63-Q65 PolarHBondContact O-N 2.71Å; S63-Q65 VanDerWaalsContact O-N 3.12Å; S63-Q65 VanDerWaalsContact OG-CB 3.29Å; S63-Q65 WeakPolarHBondContact OG-CB 3.42Å; S63-Q65 PolarHBondContact OG-N 3.28Å; S63-Q65 VanDerWaalsContact OG-N 3.1Å; S63-Q65 PolarHBondContact OG-OE1 3.03Å; S63-R66 WeakPolarHBondContact O-CA 3.36Å; S63-R66 WeakPolarHBondContact O-CB 3.21Å; S63-R66 PolarHBondContact O-N 3.09Å; S63-A67 PolarHBondContact O-N 2.79Å
64	V	44.5	Very low	43.4	Very low	56 Å²	56	85.6 Å²	85.6	34%	0.339	43%	0.43	S	S	.	.	H	α-helix	trans	-53.6	-29.6	169.8	-167.8	0	0	0	0	111	A67 C68 P77 V238	V64-A67 PolarHBondContact O-N 2.92Å; V64-C68 PolarHBondContact O-N 2.04Å; V64-P77 HydrophobicContact CB-CB 4.06Å; V64-P77 HydrophobicContact CB-CG 4.38Å; V64-P77 HydrophobicContact CG1-CB 3.43Å; V64-P77 VanDerWaalsContact CG1-CB 3.43Å; V64-P77 HydrophobicContact CG1-CG 4.27Å; V64-V238 HydrophobicContact CG1-CB 4.45Å; V64-V238 HydrophobicContact CG1-CG1 3.45Å; V64-V238 VanDerWaalsContact CG1-CG1 3.45Å; V64-V238 HydrophobicContact CG1-CG2 4.1Å
65	Q	42	Very low	43.5	Very low	121 Å²	121	84.9 Å²	84.9	57%	0.565	43%	0.428	S	S	*	.	H	α-helix	trans	-66.2	-39.2	175.1	-59.9	152.4	-40	0	0	111	S63 C68 L69 P77	S63-Q65 PolarHBondContact O-N 2.71Å; S63-Q65 VanDerWaalsContact O-N 3.12Å; S63-Q65 VanDerWaalsContact OG-CB 3.29Å; S63-Q65 WeakPolarHBondContact OG-CB 3.42Å; S63-Q65 PolarHBondContact OG-N 3.28Å; S63-Q65 VanDerWaalsContact OG-N 3.1Å; S63-Q65 PolarHBondContact OG-OE1 3.03Å; Q65-C68 PolarHBondContact O-N 2.73Å; Q65-L69 WeakPolarHBondContact O-CB 3.4Å; Q65-L69 WeakPolarHBondContact O-CD1 3.31Å; Q65-L69 WeakPolarHBondContact O-CG 3.3Å; Q65-L69 PolarHBondContact O-N 3.19Å; Q65-P77 HydrophobicContact CB-CG 4.34Å; Q65-P77 HydrophobicContact CG-CG 3.56Å
66	R	49	Very low	43.4	Very low	146 Å²	146	89.4 Å²	89.4	55%	0.551	44%	0.443	S	S	*	.	H	α-helix	trans	-66.6	-40.3	177.8	-161.7	154.2	-163.3	146.4	4.4	111.9	S63 C68 L69 D70	S63-R66 WeakPolarHBondContact O-CA 3.36Å; S63-R66 WeakPolarHBondContact O-CB 3.21Å; S63-R66 PolarHBondContact O-N 3.09Å; R66-C68 VanDerWaalsContact C-N 3.33Å; R66-C68 PolarHBondContact O-N 2.87Å; R66-L69 PolarHBondContact O-N 3.22Å; R66-D70 WeakPolarHBondContact O-CB 3.32Å; R66-D70 PolarHBondContact O-N 3.26Å
67	A	46.9	Very low	42.8	Very low	9 Å²	9	88.8 Å²	88.8	7%	0.074	44%	0.443	C	S	.	.	H	α-helix	trans	-58.4	-43.3	174	0	0	0	0	0	113.3	M54 F62 S63 V64 S71	M54-A67 HydrophobicContact CE-CB 3.15Å; F62-A67 HydrophobicContact CE1-CB 3.92Å; S63-A67 PolarHBondContact O-N 2.79Å; V64-A67 PolarHBondContact O-N 2.92Å; A67-S71 WeakPolarHBondContact O-CB 3.18Å; A67-S71 PolarHBondContact O-N 2.84Å; A67-S71 VanDerWaalsContact O-N 3.15Å; A67-S71 PolarHBondContact O-OG 3.16Å
68	C	46.4	Very low	42.4	Very low	0 Å²	0	86 Å²	86	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-70.2	-37.4	176.8	-71	0	0	0	0	112.2	V64 Q65 R66 S71 W72 G75 C240	V64-C68 PolarHBondContact O-N 2.04Å; Q65-C68 PolarHBondContact O-N 2.73Å; R66-C68 VanDerWaalsContact C-N 3.33Å; R66-C68 PolarHBondContact O-N 2.87Å; C68-S71 PolarHBondContact O-N 2.72Å; C68-W72 CarbonylContact O-C 3.49Å; C68-W72 PolarHBondContact O-N 2.89Å; C68-G75 WeakPolarHBondContact CB-O 3.47Å; C68-C240 WeakPolarHBondContact CA-SG 3.17Å; C68-C240 HydrophobicContact CB-CB 3.76Å; C68-C240 WeakPolarHBondContact CB-SG 3.23Å; C68-C240 WeakPolarHBondContact SG-CB 3.14Å; C68-C240 CovalentContact SG-SG 2.04Å; C68-C240 PolarHBondContact SG-SG 2.77Å
69	L	47.3	Very low	41.7	Very low	87 Å²	87	82.7 Å²	82.7	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-67.6	-37.7	176.9	-72.6	167.3	0	0	0	113.1	Q65 R66 W72	Q65-L69 WeakPolarHBondContact O-CB 3.4Å; Q65-L69 WeakPolarHBondContact O-CD1 3.31Å; Q65-L69 WeakPolarHBondContact O-CG 3.3Å; Q65-L69 PolarHBondContact O-N 3.19Å; R66-L69 PolarHBondContact O-N 3.22Å; L69-W72 CarbonylContact C-O 3.56Å; L69-W72 WeakPolarHBondContact CA-O 3.23Å; L69-W72 CarbonylContact O-C 3.55Å; L69-W72 PolarHBondContact O-N 2.72Å
70	D	45.1	Very low	41	Very low	95 Å²	95	82.4 Å²	82.4	51%	0.508	41%	0.408	S	S	.	.	H	α-helix	trans	-74.6	-31.4	178	-65.1	-22.3	0	0	0	111.5	R66	R66-D70 WeakPolarHBondContact O-CB 3.32Å; R66-D70 PolarHBondContact O-N 3.26Å
71	S	42.2	Very low	40.3	Very low	41 Å²	41	81.1 Å²	81.1	29%	0.287	40%	0.403	S	S	.	.	H	α-helix	trans	-79.2	-28	174	-54.7	0	0	0	0	112.3	A67 C68	A67-S71 WeakPolarHBondContact O-CB 3.18Å; A67-S71 PolarHBondContact O-N 2.84Å; A67-S71 VanDerWaalsContact O-N 3.15Å; A67-S71 PolarHBondContact O-OG 3.16Å; C68-S71 PolarHBondContact O-N 2.72Å
72	W	40.6	Very low	39.8	Very low	96 Å²	96	73.4 Å²	73.4	36%	0.364	37%	0.367	S	S	.	.	S	Bend	trans	-159.4	131.2	179.8	-143.4	-93.9	0	0	0	110.6	C68 L69 I74 G75 H242	C68-W72 CarbonylContact O-C 3.49Å; C68-W72 PolarHBondContact O-N 2.89Å; L69-W72 CarbonylContact C-O 3.56Å; L69-W72 WeakPolarHBondContact CA-O 3.23Å; L69-W72 CarbonylContact O-C 3.55Å; L69-W72 PolarHBondContact O-N 2.72Å; W72-I74 PolarHBondContact O-N 2.72Å; W72-G75 PolarHBondContact O-N 2.67Å; W72-H242 WeakPolarHBondContact CB-CE1 3.39Å; W72-H242 AromaticContact CD1-CE1 3.52Å; W72-H242 AromaticContact CD1-ND1 3.47Å; W72-H242 AromaticContact CG-CE1 3.35Å; W72-H242 AromaticContact CG-ND1 3.8Å
73	P	36.9	Very low	39.4	Very low	101 Å²	101	73.9 Å²	73.9	66%	0.656	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.3	-169.8	19.8	-30.5	0	0	0	115.6
74	I	41.7	Very low	38.6	Very low	82 Å²	82	73.2 Å²	73.2	42%	0.421	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.7	33.4	-177.3	-36.7	171.4	0	0	0	113.6	W72 E244	W72-I74 PolarHBondContact O-N 2.72Å; I74-E244 HydrophobicContact CB-CB 4.42Å; I74-E244 HydrophobicContact CB-CG 4.36Å; I74-E244 HydrophobicContact CD1-CB 4.13Å; I74-E244 HydrophobicContact CD1-CG 4.13Å; I74-E244 HydrophobicContact CG2-CB 3.87Å; I74-E244 HydrophobicContact CG2-CG 3.37Å
75	G	41.4	Very low	38.1	Very low	6 Å²	6	74.9 Å²	74.9	6%	0.062	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-83.4	126.9	175.5	0	0	0	0	0	113.5	C68 W72 H242	C68-G75 WeakPolarHBondContact CB-O 3.47Å; W72-G75 PolarHBondContact O-N 2.67Å; G75-H242 VanDerWaalsContact CA-ND1 3.3Å; G75-H242 WeakPolarHBondContact CA-ND1 3.42Å
76	R	36.4	Very low	37.7	Very low	131 Å²	131	74.9 Å²	74.9	49%	0.494	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	135.6	163.3	-68.3	-168.1	-169.3	177	12.8	109.5	V78 E241 E243	R76-V78 PolarHBondContact O-N 2.78Å; R76-E241 PolarHBondContact N-O 3.27Å; R76-E241 PolarHBondContact O-N 2.93Å; R76-E243 VanDerWaalsContact CD-OE2 3.28Å; R76-E243 WeakPolarHBondContact CD-OE2 3.41Å; R76-E243 IonicContact CZ-OE1 3.15Å; R76-E243 IonicContact CZ-OE2 3.38Å; R76-E243 IonicContact NE-OE2 2.74Å; R76-E243 PolarHBondContact NE-OE2 3.39Å; R76-E243 VanDerWaalsContact NE-OE2 3.13Å; R76-E243 VanDerWaalsContact NH1-CD 3.28Å; R76-E243 IonicContact NH1-OE1 3.26Å; R76-E243 PolarHBondContact NH1-OE1 3.06Å; R76-E243 IonicContact NH1-OE2 2.77Å; R76-E243 PolarHBondContact NH1-OE2 2.77Å; R76-E243 IonicContact NH2-OE1 2.78Å; R76-E243 PolarHBondContact NH2-OE1 3.22Å; R76-E243 IonicContact NH2-OE2 2.78Å; R76-E243 PolarHBondContact NH2-OE2 3.23Å
77	P	35.7	Very low	36.9	Very low	39 Å²	39	71.7 Å²	71.7	25%	0.253	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.9	175.7	29.5	-33.3	0	0	0	110.1	V64 Q65 G79	V64-P77 HydrophobicContact CB-CB 4.06Å; V64-P77 HydrophobicContact CB-CG 4.38Å; V64-P77 HydrophobicContact CG1-CB 3.43Å; V64-P77 VanDerWaalsContact CG1-CB 3.43Å; V64-P77 HydrophobicContact CG1-CG 4.27Å; Q65-P77 HydrophobicContact CB-CG 4.34Å; Q65-P77 HydrophobicContact CG-CG 3.56Å; P77-G79 PolarHBondContact O-N 3.22Å
78	V	35.4	Very low	36.5	Very low	60 Å²	60	72.8 Å²	72.8	36%	0.364	38%	0.379	S	S	.	.			trans	-81.2	6.7	174.7	-151.4	0	0	0	0	111.5	R76 W80 L239 E241	R76-V78 PolarHBondContact O-N 2.78Å; V78-W80 PolarHBondContact O-NE1 3.32Å; V78-W80 VanDerWaalsContact O-NE1 3.09Å; V78-L239 PolarHBondContact N-O 3.5Å; V78-L239 VanDerWaalsContact N-O 3.15Å; V78-E241 HydrophobicContact CG2-CB 3.29Å
79	G	29.2	Very low	36.1	Very low	31 Å²	31	75.5 Å²	75.5	32%	0.32	39%	0.39	S	S	.	.			trans	84.6	-171.8	-174	0	0	0	0	0	113	P77	P77-G79 PolarHBondContact O-N 3.22Å
80	W	26.4	Very low	35.6	Very low	121 Å²	121	77.4 Å²	77.4	46%	0.458	40%	0.396	S	S	.	.			trans	86.5	122.9	177.8	-33.3	103.1	0	0	0	116.6	T37 V78	T37-W80 HydrophobicContact CG2-CH2 3.4Å; T37-W80 HydrophobicContact CG2-CZ2 3.66Å; T37-W80 HydrophobicContact CG2-CZ3 4.11Å; V78-W80 PolarHBondContact O-NE1 3.32Å; V78-W80 VanDerWaalsContact O-NE1 3.09Å
81	K	27.5	Very low	35.3	Very low	159 Å²	159	75.5 Å²	75.5	69%	0.691	38%	0.383	S	S	*	.			trans	-115.3	103.6	174.6	-175.7	-177.6	-175.5	-178	0	105.3	P83	K81-P83 VanDerWaalsContact O-CD 3.29Å; K81-P83 WeakPolarHBondContact O-CD 3.22Å
82	I	31.9	Very low	34.9	Very low	40 Å²	40	76.2 Å²	76.2	21%	0.205	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	102	175.5	-50.7	177.2	0	0	0	107.2	L34 I84	L34-I82 HydrophobicContact CD1-CD1 3.88Å; L34-I82 HydrophobicContact CD2-CD1 3.91Å; L34-I82 HydrophobicContact CG-CD1 4.48Å; I82-I84 HydrophobicContact CG2-CG1 4.16Å; I82-I84 PolarHBondContact O-N 3.42Å
83	P	31.9	Very low	34.8	Very low	85 Å²	85	77.3 Å²	77.3	55%	0.552	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	119.4	165.6	28.8	-29.3	0	0	0	107.2	K81	K81-P83 VanDerWaalsContact O-CD 3.29Å; K81-P83 WeakPolarHBondContact O-CD 3.22Å
84	I	32.9	Very low	35	Very low	32 Å²	32	74.5 Å²	74.5	16%	0.164	37%	0.373	C	S	.	.			trans	-100.6	111.3	176.6	-35.8	172.7	0	0	0	109.2	I82 Y89 F91 V237	I82-I84 HydrophobicContact CG2-CG1 4.16Å; I82-I84 PolarHBondContact O-N 3.42Å; I84-Y89 HydrophobicContact CB-CE1 3.72Å; I84-Y89 VanDerWaalsContact CB-OH 3.28Å; I84-Y89 WeakPolarHBondContact CB-OH 3.46Å; I84-Y89 HydrophobicContact CD1-CE1 3.83Å; I84-Y89 HydrophobicContact CG1-CE1 4.36Å; I84-Y89 HydrophobicContact CG2-CD1 3.6Å; I84-Y89 HydrophobicContact CG2-CD2 4.41Å; I84-Y89 HydrophobicContact CG2-CE1 3Å; I84-Y89 HydrophobicContact CG2-CE2 3.91Å; I84-Y89 HydrophobicContact CG2-CG 4.3Å; I84-Y89 WeakPolarHBondContact CG2-OH 3.22Å; I84-F91 HydrophobicContact CD1-CE1 4.5Å; I84-F91 HydrophobicContact CD1-CE2 4.42Å; I84-F91 HydrophobicContact CD1-CZ 3.84Å; I84-V237 HydrophobicContact CD1-CG2 4.05Å
85	D	33.1	Very low	34.9	Very low	90 Å²	90	73.7 Å²	73.7	48%	0.481	38%	0.378	S	S	.	.			trans	-74.3	126.9	175.1	-177.6	-2.1	0	0	0	109.9	S87 T88	D85-S87 PolarHBondContact O-N 2.8Å; D85-S87 PolarHBondContact OD1-N 3.35Å; D85-S87 VanDerWaalsContact OD1-N 3.16Å; D85-S87 PolarHBondContact OD1-OG 3.16Å; D85-S87 PolarHBondContact OD2-OG 3.49Å; D85-T88 PolarHBondContact O-N 3.45Å; D85-T88 PolarHBondContact O-OG1 2.95Å
86	Y	33.7	Very low	34.9	Very low	121 Å²	121	77.4 Å²	77.4	48%	0.475	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-19.2	176.7	-75.9	-83.2	0	0	0	114.6	G234	Y86-G234 WeakPolarHBondContact OH-CA 3.3Å; Y86-G234 PolarHBondContact OH-N 3.15Å
87	S	32.9	Very low	35.3	Very low	79 Å²	79	73.9 Å²	73.9	55%	0.552	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-9	-176.2	68.3	0	0	0	0	115.8	D85	D85-S87 PolarHBondContact O-N 2.8Å; D85-S87 PolarHBondContact OD1-N 3.35Å; D85-S87 VanDerWaalsContact OD1-N 3.16Å; D85-S87 PolarHBondContact OD1-OG 3.16Å; D85-S87 PolarHBondContact OD2-OG 3.49Å
88	T	37.8	Very low	35.6	Very low	32 Å²	32	74.9 Å²	74.9	20%	0.196	38%	0.384	C	S	.	.			trans	-136.6	11.8	-161.5	54.5	0	0	0	0	118.6	T24 S27 D85 Q90	T24-T88 HydrophobicContact CG2-CG2 3.55Å; S27-T88 WeakPolarHBondContact CB-OG1 3.35Å; S27-T88 VanDerWaalsContact OG-CB 3.22Å; S27-T88 WeakPolarHBondContact OG-CB 3.36Å; S27-T88 WeakPolarHBondContact OG-CG2 3.25Å; S27-T88 PolarHBondContact OG-OG1 2.93Å; D85-T88 PolarHBondContact O-N 3.45Å; D85-T88 PolarHBondContact O-OG1 2.95Å; T88-Q90 PolarHBondContact O-N 2.92Å
89	Y	37.4	Very low	36.1	Very low	58 Å²	58	77.3 Å²	77.3	23%	0.227	39%	0.391	C	S	.	.			trans	-61.2	117.4	-167.4	-81	-82.4	0	0	0	116.8	I84 F91	I84-Y89 HydrophobicContact CB-CE1 3.72Å; I84-Y89 VanDerWaalsContact CB-OH 3.28Å; I84-Y89 WeakPolarHBondContact CB-OH 3.46Å; I84-Y89 HydrophobicContact CD1-CE1 3.83Å; I84-Y89 HydrophobicContact CG1-CE1 4.36Å; I84-Y89 HydrophobicContact CG2-CD1 3.6Å; I84-Y89 HydrophobicContact CG2-CD2 4.41Å; I84-Y89 HydrophobicContact CG2-CE1 3Å; I84-Y89 HydrophobicContact CG2-CE2 3.91Å; I84-Y89 HydrophobicContact CG2-CG 4.3Å; I84-Y89 WeakPolarHBondContact CG2-OH 3.22Å; Y89-F91 AromaticContact CD1-CD2 3.19Å; Y89-F91 HydrophobicContact CD1-CD2 3.19Å; Y89-F91 AromaticContact CD1-CE2 3.33Å; Y89-F91 HydrophobicContact CD1-CE2 3.33Å; Y89-F91 HydrophobicContact CD1-CG 4.18Å; Y89-F91 HydrophobicContact CD1-CZ 4.35Å; Y89-F91 AromaticContact CE1-CD2 3.46Å; Y89-F91 HydrophobicContact CE1-CD2 3.46Å; Y89-F91 VanDerWaalsContact CE1-CD2 3.46Å; Y89-F91 AromaticContact CE1-CE2 3Å; Y89-F91 HydrophobicContact CE1-CE2 3Å; Y89-F91 AromaticContact CE1-CZ 3.82Å; Y89-F91 HydrophobicContact CE1-CZ 3.82Å; Y89-F91 HydrophobicContact CG-CD2 4.21Å; Y89-F91 HydrophobicContact CG-CE2 4.5Å
90	Q	38.4	Very low	36.9	Very low	127 Å²	127	82.5 Å²	82.5	59%	0.593	40%	0.401	S	S	*	.			trans	-116.6	63.5	155.1	-75.5	-168.7	-16.5	0	0	110.7	T88 T92 F93	T88-Q90 PolarHBondContact O-N 2.92Å; Q90-T92 PolarHBondContact O-N 3.14Å; Q90-T92 VanDerWaalsContact O-N 3.09Å; Q90-F93 HydrophobicContact CB-CD2 4.02Å; Q90-F93 HydrophobicContact CG-CD2 4.29Å; Q90-F93 PolarHBondContact O-N 3.49Å; Q90-F93 VanDerWaalsContact O-N 3.14Å
91	F	38	Very low	37.7	Very low	54 Å²	54	79 Å²	79	24%	0.237	39%	0.389	C	S	.	.	H	α-helix	trans	-55.3	-25.4	173.1	-103.4	-67.5	0	0	0	113.4	I84 Y89 F93 Y207	I84-F91 HydrophobicContact CD1-CE1 4.5Å; I84-F91 HydrophobicContact CD1-CE2 4.42Å; I84-F91 HydrophobicContact CD1-CZ 3.84Å; Y89-F91 AromaticContact CD1-CD2 3.19Å; Y89-F91 HydrophobicContact CD1-CD2 3.19Å; Y89-F91 AromaticContact CD1-CE2 3.33Å; Y89-F91 HydrophobicContact CD1-CE2 3.33Å; Y89-F91 HydrophobicContact CD1-CG 4.18Å; Y89-F91 HydrophobicContact CD1-CZ 4.35Å; Y89-F91 AromaticContact CE1-CD2 3.46Å; Y89-F91 HydrophobicContact CE1-CD2 3.46Å; Y89-F91 VanDerWaalsContact CE1-CD2 3.46Å; Y89-F91 AromaticContact CE1-CE2 3Å; Y89-F91 HydrophobicContact CE1-CE2 3Å; Y89-F91 AromaticContact CE1-CZ 3.82Å; Y89-F91 HydrophobicContact CE1-CZ 3.82Å; Y89-F91 HydrophobicContact CG-CD2 4.21Å; Y89-F91 HydrophobicContact CG-CE2 4.5Å; F91-F93 VanDerWaalsContact C-N 3.32Å; F91-F93 PolarHBondContact O-N 3.26Å; F91-Y207 HydrophobicContact CB-CD1 4.41Å; F91-Y207 HydrophobicContact CB-CE1 3.6Å; F91-Y207 HydrophobicContact CD2-CE1 4.37Å; F91-Y207 HydrophobicContact CG-CD1 4.37Å; F91-Y207 AromaticContact CG-CE1 3.99Å; F91-Y207 HydrophobicContact CG-CE1 3.99Å
92	T	34.6	Very low	38.3	Very low	56 Å²	56	74.2 Å²	74.2	34%	0.344	38%	0.38	S	S	.	.	H	α-helix	trans	-58.1	-38.8	175.7	10.5	0	0	0	0	113.8	Q90 L94 E96	Q90-T92 PolarHBondContact O-N 3.14Å; Q90-T92 VanDerWaalsContact O-N 3.09Å; T92-L94 PolarHBondContact O-N 2.66Å; T92-E96 WeakPolarHBondContact O-CB 3.43Å; T92-E96 PolarHBondContact O-N 3.31Å
93	F	37.8	Very low	38.7	Very low	120 Å²	120	75.7 Å²	75.7	53%	0.526	39%	0.388	S	S	.	.	H	α-helix	trans	-69.6	-36.2	-172.8	-98.4	-93.1	0	0	0	112.7	Q90 F91 Y97	Q90-F93 HydrophobicContact CB-CD2 4.02Å; Q90-F93 HydrophobicContact CG-CD2 4.29Å; Q90-F93 PolarHBondContact O-N 3.49Å; Q90-F93 VanDerWaalsContact O-N 3.14Å; F91-F93 VanDerWaalsContact C-N 3.32Å; F91-F93 PolarHBondContact O-N 3.26Å; F93-Y97 WeakPolarHBondContact O-CB 3.49Å; F93-Y97 PolarHBondContact O-N 2.81Å
94	L	41.3	Very low	39	Very low	42 Å²	42	81.1 Å²	81.1	22%	0.22	40%	0.397	C	S	.	.	H	α-helix	trans	-72.2	-47	-177.4	-176.5	62	0	0	0	112	L34 T92 E96 Y97 L98	L34-L94 HydrophobicContact CD2-CD1 3.82Å; T92-L94 PolarHBondContact O-N 2.66Å; L94-E96 VanDerWaalsContact C-N 3.34Å; L94-E96 PolarHBondContact O-N 2.73Å; L94-Y97 PolarHBondContact O-N 2.7Å; L94-L98 HydrophobicContact CD1-CD1 4.26Å; L94-L98 HydrophobicContact CD1-CG 4.39Å; L94-L98 HydrophobicContact CG-CD1 4.13Å; L94-L98 WeakPolarHBondContact O-CB 3.23Å; L94-L98 VanDerWaalsContact O-CG 3.27Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 3.13Å
95	A	39.5	Very low	39.2	Very low	64 Å²	64	82.7 Å²	82.7	53%	0.529	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-42.1	177.9	0	0	0	0	0	111.6	H99	A95-H99 VanDerWaalsContact O-CB 3.29Å; A95-H99 WeakPolarHBondContact O-CB 3.3Å; A95-H99 PolarHBondContact O-N 3.47Å
96	E	42.2	Very low	39.4	Very low	85 Å²	85	84.1 Å²	84.1	40%	0.397	41%	0.41	S	S	.	.	H	α-helix	trans	-67.6	-37.8	178.2	-166.5	174.8	173.5	0	0	112.2	T92 L94 R100	T92-E96 WeakPolarHBondContact O-CB 3.43Å; T92-E96 PolarHBondContact O-N 3.31Å; L94-E96 VanDerWaalsContact C-N 3.34Å; L94-E96 PolarHBondContact O-N 2.73Å; E96-R100 WeakPolarHBondContact O-CB 3.47Å; E96-R100 VanDerWaalsContact O-CG 3.29Å; E96-R100 WeakPolarHBondContact O-CG 3.43Å; E96-R100 PolarHBondContact O-N 2.92Å; E96-R100 IonicContact OE1-CZ 2.77Å; E96-R100 IonicContact OE1-NE 2.65Å; E96-R100 IonicContact OE1-NH2 3.15Å; E96-R100 PolarHBondContact OE1-NH2 3.27Å
97	Y	44	Very low	39.4	Very low	57 Å²	57	81.6 Å²	81.6	22%	0.224	42%	0.42	C	S	.	.	H	α-helix	trans	-65.2	-48.3	174.3	178.4	-93.6	0	0	0	112.4	L35 L38 F93 L94 H99 R100 K101	L35-Y97 HydrophobicContact CD2-CD1 3.5Å; L35-Y97 VanDerWaalsContact CD2-CD1 3.5Å; L35-Y97 HydrophobicContact CD2-CD2 3.56Å; L35-Y97 HydrophobicContact CD2-CE1 3.51Å; L35-Y97 HydrophobicContact CD2-CE2 3.55Å; L35-Y97 HydrophobicContact CD2-CG 3.52Å; L38-Y97 HydrophobicContact CD1-CE1 4.27Å; F93-Y97 WeakPolarHBondContact O-CB 3.49Å; F93-Y97 PolarHBondContact O-N 2.81Å; L94-Y97 PolarHBondContact O-N 2.7Å; Y97-H99 VanDerWaalsContact C-N 3.3Å; Y97-H99 PolarHBondContact O-N 2.94Å; Y97-R100 PolarHBondContact O-N 3.36Å; Y97-K101 HydrophobicContact CE1-CG 4.07Å; Y97-K101 PolarHBondContact O-N 2.77Å; Y97-K101 WeakPolarHBondContact OH-CE 3.37Å
98	L	42.4	Very low	39.6	Very low	59 Å²	59	82.5 Å²	82.5	31%	0.309	42%	0.418	S	S	.	.	H	α-helix	trans	-61.2	-40.4	178	-70.4	171.3	0	0	0	111.3	I45 L94 K101 A102	I45-L98 HydrophobicContact CD1-CD2 4.1Å; L94-L98 HydrophobicContact CD1-CD1 4.26Å; L94-L98 HydrophobicContact CD1-CG 4.39Å; L94-L98 HydrophobicContact CG-CD1 4.13Å; L94-L98 WeakPolarHBondContact O-CB 3.23Å; L94-L98 VanDerWaalsContact O-CG 3.27Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 3.13Å; L98-K101 PolarHBondContact O-N 3.2Å; L98-A102 WeakPolarHBondContact O-CB 3.47Å; L98-A102 PolarHBondContact O-N 2.91Å
99	H	44.8	Very low	39.6	Very low	111 Å²	111	89.6 Å²	89.6	51%	0.514	45%	0.446	S	S	.	.	H	α-helix	trans	-62.5	-49.1	174.7	-176.8	71.3	0	0	0	112.5	A95 Y97 K101 A102 L103	A95-H99 VanDerWaalsContact O-CB 3.29Å; A95-H99 WeakPolarHBondContact O-CB 3.3Å; A95-H99 PolarHBondContact O-N 3.47Å; Y97-H99 VanDerWaalsContact C-N 3.3Å; Y97-H99 PolarHBondContact O-N 2.94Å; H99-K101 VanDerWaalsContact C-N 3.29Å; H99-K101 PolarHBondContact O-N 3.07Å; H99-A102 PolarHBondContact O-N 2.92Å; H99-L103 WeakPolarHBondContact NE2-CD1 3.36Å; H99-L103 WeakPolarHBondContact O-CG 3.3Å; H99-L103 PolarHBondContact O-N 2.89Å
100	R	46.4	Very low	39.8	Very low	141 Å²	141	93.4 Å²	93.4	53%	0.532	47%	0.47	S	S	.	.	H	α-helix	trans	-61.4	-35.9	177.7	-73	176.3	-166	-132.6	10.7	112.4	E96 Y97 R104	E96-R100 WeakPolarHBondContact O-CB 3.47Å; E96-R100 VanDerWaalsContact O-CG 3.29Å; E96-R100 WeakPolarHBondContact O-CG 3.43Å; E96-R100 PolarHBondContact O-N 2.92Å; E96-R100 IonicContact OE1-CZ 2.77Å; E96-R100 IonicContact OE1-NE 2.65Å; E96-R100 IonicContact OE1-NH2 3.15Å; E96-R100 PolarHBondContact OE1-NH2 3.27Å; Y97-R100 PolarHBondContact O-N 3.36Å; R100-R104 WeakPolarHBondContact O-CG 3.41Å; R100-R104 PolarHBondContact O-N 2.97Å
101	K	44.1	Very low	39.8	Very low	46 Å²	46	94.6 Å²	94.6	20%	0.2	48%	0.481	C	S	.	.	H	α-helix	trans	-69.4	-43.4	174.7	-87.1	-87	-172.6	165.5	0	111.7	Y97 L98 H99 L103 R104 V105	Y97-K101 HydrophobicContact CE1-CG 4.07Å; Y97-K101 PolarHBondContact O-N 2.77Å; Y97-K101 WeakPolarHBondContact OH-CE 3.37Å; L98-K101 PolarHBondContact O-N 3.2Å; H99-K101 VanDerWaalsContact C-N 3.29Å; H99-K101 PolarHBondContact O-N 3.07Å; K101-L103 VanDerWaalsContact C-N 3.31Å; K101-L103 PolarHBondContact O-N 3.45Å; K101-R104 PolarHBondContact O-N 2.86Å; K101-V105 WeakPolarHBondContact O-CG2 3.12Å; K101-V105 PolarHBondContact O-N 3.22Å; K101-V105 VanDerWaalsContact O-N 3.1Å
102	A	38.6	Very low	40.1	Very low	60 Å²	60	95.3 Å²	95.3	50%	0.496	48%	0.484	S	S	.	.	H	α-helix	trans	-59.9	-40	176.6	0	0	0	0	0	112.5	L98 H99	L98-A102 WeakPolarHBondContact O-CB 3.47Å; L98-A102 PolarHBondContact O-N 2.91Å; H99-A102 PolarHBondContact O-N 2.92Å
103	L	40.1	Very low	40.8	Very low	71 Å²	71	96.1 Å²	96.1	37%	0.372	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-40.9	175.6	-70	173.6	0	0	0	112.8	H99 K101 V105 K106	H99-L103 WeakPolarHBondContact NE2-CD1 3.36Å; H99-L103 WeakPolarHBondContact O-CG 3.3Å; H99-L103 PolarHBondContact O-N 2.89Å; K101-L103 VanDerWaalsContact C-N 3.31Å; K101-L103 PolarHBondContact O-N 3.45Å; L103-V105 PolarHBondContact O-N 3.15Å; L103-K106 PolarHBondContact O-N 2.9Å
104	R	39.7	Very low	41.6	Very low	198 Å²	198	93.6 Å²	93.6	75%	0.747	48%	0.482	S	S	*	.	H	α-helix	trans	-65.6	-35.3	177.7	-77.3	-178.1	-171.5	175.7	3.6	113.3	R100 K101 K106	R100-R104 WeakPolarHBondContact O-CG 3.41Å; R100-R104 PolarHBondContact O-N 2.97Å; K101-R104 PolarHBondContact O-N 2.86Å; R104-K106 VanDerWaalsContact C-N 3.29Å; R104-K106 PolarHBondContact O-N 3.28Å
105	V	36.7	Very low	42.4	Very low	66 Å²	66	92.6 Å²	92.6	40%	0.4	48%	0.478	S	S	.	.	H	α-helix	trans	-66.9	-29.1	-178.7	170.2	0	0	0	0	112.2	K101 L103	K101-V105 WeakPolarHBondContact O-CG2 3.12Å; K101-V105 PolarHBondContact O-N 3.22Å; K101-V105 VanDerWaalsContact O-N 3.1Å; L103-V105 PolarHBondContact O-N 3.15Å
106	K	36.3	Very low	43.6	Very low	120 Å²	120	96 Å²	96	52%	0.522	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-3.7	-173.4	-65.5	-164.6	172.1	-166.8	0	115.6	L103 R104 I108	L103-K106 PolarHBondContact O-N 2.9Å; R104-K106 VanDerWaalsContact C-N 3.29Å; R104-K106 PolarHBondContact O-N 3.28Å; K106-I108 HydrophobicContact CB-CB 4.48Å; K106-I108 HydrophobicContact CB-CD1 3.44Å; K106-I108 VanDerWaalsContact CB-CD1 3.44Å; K106-I108 HydrophobicContact CB-CG1 3.55Å; K106-I108 HydrophobicContact CD-CD1 3.54Å; K106-I108 HydrophobicContact CG-CD1 4.11Å; K106-I108 PolarHBondContact O-N 2.92Å
107	G	34.8	Very low	44.6	Very low	67 Å²	67	94.6 Å²	94.6	69%	0.691	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	19.3	-176.6	0	0	0	0	0	114.2	K109	G107-K109 PolarHBondContact O-N 2.79Å
108	I	36.1	Very low	45.3	Very low	98 Å²	98	92 Å²	92	50%	0.503	46%	0.464	S	S	.	.			trans	-71.3	116.1	-175.8	-68.1	168.7	0	0	0	107.9	K106	K106-I108 HydrophobicContact CB-CB 4.48Å; K106-I108 HydrophobicContact CB-CD1 3.44Å; K106-I108 VanDerWaalsContact CB-CD1 3.44Å; K106-I108 HydrophobicContact CB-CG1 3.55Å; K106-I108 HydrophobicContact CD-CD1 3.54Å; K106-I108 HydrophobicContact CG-CD1 4.11Å; K106-I108 PolarHBondContact O-N 2.92Å
109	K	37.9	Very low	46.3	Very low	182 Å²	182	95 Å²	95	79%	0.791	47%	0.471	S	S	*	.			trans	-71.1	134.5	161.7	-71.6	-176.5	177.3	-179.8	0	107.9	G107 N111	G107-K109 PolarHBondContact O-N 2.79Å; K109-N111 PolarHBondContact O-N 2.92Å
110	D	41.4	Very low	46.5	Very low	137 Å²	137	94.3 Å²	94.3	73%	0.733	48%	0.477	S	S	*	.			trans	-61.2	67.3	174.1	-86.4	-31	0	0	0	112.3	F112	D110-F112 PolarHBondContact O-N 3.2Å; D110-F112 VanDerWaalsContact O-N 3.14Å
111	N	39.2	Very low	47.1	Very low	153 Å²	153	94.8 Å²	94.8	82%	0.818	49%	0.485	S	S	*	.			trans	-87.3	50	169	-93	3.6	0	0	0	110.2	K109 S113	K109-N111 PolarHBondContact O-N 2.92Å; N111-S113 PolarHBondContact O-N 2.84Å
112	F	45.3	Very low	47.9	Very low	69 Å²	69	96 Å²	96	30%	0.303	49%	0.491	S	S	.	.			trans	-80.3	103	-174.5	-158.6	-119.8	0	0	0	110.1	D110 Q114 H141 T166	D110-F112 PolarHBondContact O-N 3.2Å; D110-F112 VanDerWaalsContact O-N 3.14Å; F112-Q114 HydrophobicContact CD1-CB 4.47Å; F112-Q114 HydrophobicContact CD1-CG 3.15Å; F112-Q114 HydrophobicContact CE1-CB 4.43Å; F112-Q114 HydrophobicContact CE1-CG 3.07Å; F112-Q114 HydrophobicContact CG-CG 4.28Å; F112-Q114 HydrophobicContact CZ-CG 4.15Å; F112-Q114 PolarHBondContact O-N 2.8Å; F112-H141 HydrophobicContact CE1-CB 4.15Å; F112-H141 AromaticContact CE1-CG 3.89Å; F112-H141 AromaticContact CE1-ND1 3.69Å; F112-H141 AromaticContact CE2-CD2 3.81Å; F112-H141 AromaticContact CE2-CE1 3.39Å; F112-H141 WeakPolarHBondContact CE2-CE1 3.15Å; F112-H141 AromaticContact CE2-CG 3.99Å; F112-H141 AromaticContact CE2-ND1 3.76Å; F112-H141 AromaticContact CE2-NE2 3.41Å; F112-H141 WeakPolarHBondContact CE2-NE2 3.15Å; F112-H141 HydrophobicContact CZ-CB 3.81Å; F112-H141 AromaticContact CZ-CD2 3.39Å; F112-H141 WeakPolarHBondContact CZ-CD2 3.36Å; F112-H141 AromaticContact CZ-CE1 3.34Å; F112-H141 WeakPolarHBondContact CZ-CE1 3.41Å; F112-H141 AromaticContact CZ-CG 3.2Å; F112-H141 AromaticContact CZ-ND1 3.2Å; F112-H141 WeakPolarHBondContact CZ-ND1 3.46Å; F112-H141 AromaticContact CZ-NE2 3.46Å; F112-H141 WeakPolarHBondContact CZ-NE2 3.06Å; F112-T166 HydrophobicContact CZ-CG2 3.95Å
113	S	48.1	Very low	48.4	Very low	73 Å²	73	95.6 Å²	95.6	51%	0.51	48%	0.48	S	S	.	.			trans	-86.5	83.1	174.3	28.5	0	0	0	0	110	N111 S165 T166	N111-S113 PolarHBondContact O-N 2.84Å; S113-S165 WeakPolarHBondContact OG-CB 3.45Å; S113-T166 PolarHBondContact O-OG1 3.16Å; S113-T166 VanDerWaalsContact O-OG1 3.11Å
114	Q	54.9	Low	48.9	Very low	67 Å²	67	100.6 Å²	100.6	31%	0.313	50%	0.502	S	S	.	.			trans	-68.2	145.3	176.8	-78.3	178.7	-0.6	0	0	112.6	F112 C118	F112-Q114 HydrophobicContact CD1-CB 4.47Å; F112-Q114 HydrophobicContact CD1-CG 3.15Å; F112-Q114 HydrophobicContact CE1-CB 4.43Å; F112-Q114 HydrophobicContact CE1-CG 3.07Å; F112-Q114 HydrophobicContact CG-CG 4.28Å; F112-Q114 HydrophobicContact CZ-CG 4.15Å; F112-Q114 PolarHBondContact O-N 2.8Å; Q114-C118 HydrophobicContact CB-CB 3.99Å; Q114-C118 HydrophobicContact CG-CB 4.19Å; Q114-C118 PolarHBondContact OE1-O 3.18Å; Q114-C118 VanDerWaalsContact OE1-O 3.07Å
115	P	58.3	Low	49.7	Very low	20 Å²	20	98.2 Å²	98.2	13%	0.13	50%	0.497	C	S	.	.			trans	-53.6	144.8	161.7	-19.4	30.9	0	0	0	109.5	W117 C118 A155 T168	P115-W117 HydrophobicContact CB-CD2 3.94Å; P115-W117 VanDerWaalsContact CB-CE2 3.44Å; P115-W117 HydrophobicContact CB-CG 4.15Å; P115-W117 HydrophobicContact CB-CZ2 3.93Å; P115-W117 VanDerWaalsContact CB-NE1 3.28Å; P115-W117 HydrophobicContact CG-CZ2 3.97Å; P115-W117 PolarHBondContact O-N 3.23Å; P115-W117 VanDerWaalsContact O-N 3.08Å; P115-C118 WeakPolarHBondContact O-CB 3.47Å; P115-C118 PolarHBondContact O-N 3.17Å; P115-A155 HydrophobicContact CG-CB 3.78Å; P115-T168 HydrophobicContact CB-CG2 3.93Å; P115-T168 HydrophobicContact CG-CG2 3.26Å
116	Q	65.1	Low	50.7	Low	137 Å²	137	96 Å²	96	64%	0.64	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-52.2	-38.9	-176.7	-75.9	-178.7	-32.4	0	0	112.4	C118 R119 E122	Q116-C118 PolarHBondContact O-N 2.97Å; Q116-R119 VanDerWaalsContact O-CB 3.31Å; Q116-R119 WeakPolarHBondContact O-CB 3.44Å; Q116-R119 WeakPolarHBondContact O-CG 3.48Å; Q116-R119 PolarHBondContact O-N 3.08Å; Q116-R119 VanDerWaalsContact O-N 3.12Å; Q116-E122 WeakPolarHBondContact O-CB 3.29Å; Q116-E122 VanDerWaalsContact O-CG 3.28Å; Q116-E122 WeakPolarHBondContact O-CG 3.27Å
117	W	62.9	Low	51.7	Low	54 Å²	54	95.2 Å²	95.2	21%	0.205	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-71.7	-7.3	179.2	54.4	-99.3	0	0	0	115.2	P115 C142 N144 S153 A155 T168	P115-W117 HydrophobicContact CB-CD2 3.94Å; P115-W117 VanDerWaalsContact CB-CE2 3.44Å; P115-W117 HydrophobicContact CB-CG 4.15Å; P115-W117 HydrophobicContact CB-CZ2 3.93Å; P115-W117 VanDerWaalsContact CB-NE1 3.28Å; P115-W117 HydrophobicContact CG-CZ2 3.97Å; P115-W117 PolarHBondContact O-N 3.23Å; P115-W117 VanDerWaalsContact O-N 3.08Å; W117-C142 HydrophobicContact CZ3-CB 4.24Å; W117-N144 HydrophobicContact CD2-CB 4.18Å; W117-N144 HydrophobicContact CE3-CB 3.53Å; W117-N144 HydrophobicContact CZ3-CB 3.86Å; W117-S153 WeakPolarHBondContact CH2-O 3.41Å; W117-A155 HydrophobicContact CH2-CB 3.58Å; W117-A155 HydrophobicContact CZ2-CB 4.03Å; W117-A155 HydrophobicContact CZ3-CB 4.24Å; W117-T168 HydrophobicContact CZ2-CG2 3.61Å
118	C	58.6	Low	52.7	Low	2 Å²	2	94 Å²	94	1%	0.014	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-94.9	-7.3	171.2	-65.5	0	0	0	0	113.3	Q114 P115 Q116 C142	Q114-C118 HydrophobicContact CB-CB 3.99Å; Q114-C118 HydrophobicContact CG-CB 4.19Å; Q114-C118 PolarHBondContact OE1-O 3.18Å; Q114-C118 VanDerWaalsContact OE1-O 3.07Å; P115-C118 WeakPolarHBondContact O-CB 3.47Å; P115-C118 PolarHBondContact O-N 3.17Å; Q116-C118 PolarHBondContact O-N 2.97Å; C118-C142 HydrophobicContact CB-CB 3.69Å; C118-C142 WeakPolarHBondContact CB-SG 3.38Å; C118-C142 WeakPolarHBondContact SG-CB 3.16Å; C118-C142 CovalentContact SG-SG 1.99Å; C118-C142 PolarHBondContact SG-SG 3.02Å
119	R	62.6	Low	53.1	Low	123 Å²	123	91.8 Å²	91.8	46%	0.464	45%	0.446	S	S	.	.	S	Bend	trans	-71.5	142.4	178.2	-62.9	178	-177.1	-179.3	-1.5	109.3	Q116 Q121 E122 I123	Q116-R119 VanDerWaalsContact O-CB 3.31Å; Q116-R119 WeakPolarHBondContact O-CB 3.44Å; Q116-R119 WeakPolarHBondContact O-CG 3.48Å; Q116-R119 PolarHBondContact O-N 3.08Å; Q116-R119 VanDerWaalsContact O-N 3.12Å; R119-Q121 PolarHBondContact O-N 3.24Å; R119-E122 PolarHBondContact O-N 3.19Å; R119-I123 WeakPolarHBondContact O-CG1 3.26Å; R119-I123 PolarHBondContact O-N 2.59Å; R119-I123 VanDerWaalsContact O-N 3.12Å
120	P	50.5	Low	53.6	Low	97 Å²	97	84 Å²	84	63%	0.63	41%	0.412	S	S	*	.	H	α-helix	trans	-47.4	-37.4	-179.6	-30.2	34.9	0	0	0	115.3	E122 I123	P120-E122 VanDerWaalsContact C-N 3.35Å; P120-E122 PolarHBondContact O-N 3.13Å; P120-I123 PolarHBondContact O-N 3.33Å
121	Q	57.6	Low	53.4	Low	150 Å²	150	83 Å²	83	70%	0.701	41%	0.406	S	S	*	.	H	α-helix	trans	-71.5	-23.8	-179.7	-65.1	171.8	-15.2	0	0	114.4	R119	R119-Q121 PolarHBondContact O-N 3.24Å
122	E	60.4	Low	53.2	Low	72 Å²	72	79.6 Å²	79.6	34%	0.336	39%	0.392	S	S	.	.	H	α-helix	trans	-97.4	-19.1	178.2	-64.7	-64.7	132.2	0	0	111.7	Q116 R119 P120 E124 K125 A126	Q116-E122 WeakPolarHBondContact O-CB 3.29Å; Q116-E122 VanDerWaalsContact O-CG 3.28Å; Q116-E122 WeakPolarHBondContact O-CG 3.27Å; R119-E122 PolarHBondContact O-N 3.19Å; P120-E122 VanDerWaalsContact C-N 3.35Å; P120-E122 PolarHBondContact O-N 3.13Å; E122-E124 VanDerWaalsContact C-N 3.26Å; E122-E124 PolarHBondContact O-N 2.74Å; E122-K125 CarbonylContact O-C 3.45Å; E122-K125 PolarHBondContact O-N 2.78Å; E122-K125 IonicContact OE1-NZ 2.67Å; E122-K125 PolarHBondContact OE1-NZ 2.87Å; E122-K125 IonicContact OE2-NZ 3.56Å; E122-A126 PolarHBondContact O-N 3.28Å; E122-A126 VanDerWaalsContact O-N 3.07Å
123	I	50.7	Low	53.1	Low	51 Å²	51	79.8 Å²	79.8	26%	0.262	40%	0.4	S	S	.	.	H	α-helix	trans	-57.4	-41.3	171	-66.4	178.1	0	0	0	110.8	R119 P120 K125 A126 Y129	R119-I123 WeakPolarHBondContact O-CG1 3.26Å; R119-I123 PolarHBondContact O-N 2.59Å; R119-I123 VanDerWaalsContact O-N 3.12Å; P120-I123 PolarHBondContact O-N 3.33Å; I123-K125 PolarHBondContact O-N 3.19Å; I123-A126 PolarHBondContact O-N 3.3Å; I123-Y129 HydrophobicContact CB-CD1 4.4Å; I123-Y129 HydrophobicContact CB-CD2 4.33Å; I123-Y129 HydrophobicContact CB-CE2 4.48Å; I123-Y129 HydrophobicContact CB-CG 4.28Å; I123-Y129 HydrophobicContact CD1-CD1 4.22Å; I123-Y129 HydrophobicContact CD1-CE1 3.54Å; I123-Y129 HydrophobicContact CD1-CE2 3.93Å; I123-Y129 WeakPolarHBondContact CD1-OH 3.26Å; I123-Y129 HydrophobicContact CG1-CD1 4.18Å; I123-Y129 HydrophobicContact CG1-CD2 3.85Å; I123-Y129 HydrophobicContact CG1-CE1 3.88Å; I123-Y129 HydrophobicContact CG1-CE2 3.54Å; I123-Y129 HydrophobicContact CG1-CG 4.15Å; I123-Y129 HydrophobicContact CG2-CD1 3.49Å; I123-Y129 VanDerWaalsContact CG2-CD1 3.49Å; I123-Y129 HydrophobicContact CG2-CD2 4.15Å; I123-Y129 HydrophobicContact CG2-CE1 3.94Å; I123-Y129 HydrophobicContact CG2-CG 3.6Å
124	E	50	Low	52.7	Low	176 Å²	176	80.6 Å²	80.6	82%	0.822	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.8	177.1	-69	-178.7	172.7	0	0	113.4	E122	E122-E124 VanDerWaalsContact C-N 3.26Å; E122-E124 PolarHBondContact O-N 2.74Å
125	K	56.8	Low	52.1	Low	148 Å²	148	77.9 Å²	77.9	64%	0.643	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-10.5	178.6	-60.9	179.6	-169.1	163.7	0	113.2	E122 I123	E122-K125 CarbonylContact O-C 3.45Å; E122-K125 PolarHBondContact O-N 2.78Å; E122-K125 IonicContact OE1-NZ 2.67Å; E122-K125 PolarHBondContact OE1-NZ 2.87Å; E122-K125 IonicContact OE2-NZ 3.56Å; I123-K125 PolarHBondContact O-N 3.19Å
126	A	56.5	Low	51.4	Low	21 Å²	21	80.9 Å²	80.9	17%	0.174	40%	0.404	C	S	.	.	S	Bend	trans	-67.6	136	176.4	0	0	0	0	0	109.3	E122 I123 E128	E122-A126 PolarHBondContact O-N 3.28Å; E122-A126 VanDerWaalsContact O-N 3.07Å; I123-A126 PolarHBondContact O-N 3.3Å; A126-E128 PolarHBondContact O-N 3.25Å
127	E	57.7	Low	50.3	Low	103 Å²	103	76.9 Å²	76.9	48%	0.481	40%	0.399	S	S	.	.	S	Bend	trans	-57.5	-35.8	175.2	-70.5	176.5	-172.2	0	0	110.7	S146 R147 S148	E127-S146 WeakPolarHBondContact OE2-CA 2.98Å; E127-R147 WeakPolarHBondContact OE2-CA 3.3Å; E127-R147 WeakPolarHBondContact OE2-CB 3.2Å; E127-R147 PolarHBondContact OE2-N 2.87Å; E127-S148 WeakPolarHBondContact OE1-CB 3.31Å; E127-S148 PolarHBondContact OE1-OG 3.15Å; E127-S148 PolarHBondContact OE2-N 2.95Å
128	E	56.7	Low	49.4	Very low	41 Å²	41	75.6 Å²	75.6	19%	0.192	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	125.7	173.4	-175.2	174.7	165.8	0	0	109.9	A126 I145 R147	A126-E128 PolarHBondContact O-N 3.25Å; E128-I145 HydrophobicContact CB-CB 4.09Å; E128-I145 HydrophobicContact CG-CD1 4.36Å; E128-I145 PolarHBondContact N-O 3.18Å; E128-I145 PolarHBondContact O-N 2.98Å; E128-R147 IonicContact OE2-CZ 3.68Å; E128-R147 IonicContact OE2-NE 3.94Å; E128-R147 PolarHBondContact OE2-NE 2.88Å; E128-R147 VanDerWaalsContact OE2-NE 3.15Å; E128-R147 IonicContact OE2-NH2 3.34Å; E128-R147 PolarHBondContact OE2-NH2 3.17Å
129	Y	44.8	Very low	48.9	Very low	52 Å²	52	78.1 Å²	78.1	20%	0.204	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.8	-176.2	-176	-93.9	0	0	0	112.2	I123 C142 M143	I123-Y129 HydrophobicContact CB-CD1 4.4Å; I123-Y129 HydrophobicContact CB-CD2 4.33Å; I123-Y129 HydrophobicContact CB-CE2 4.48Å; I123-Y129 HydrophobicContact CB-CG 4.28Å; I123-Y129 HydrophobicContact CD1-CD1 4.22Å; I123-Y129 HydrophobicContact CD1-CE1 3.54Å; I123-Y129 HydrophobicContact CD1-CE2 3.93Å; I123-Y129 WeakPolarHBondContact CD1-OH 3.26Å; I123-Y129 HydrophobicContact CG1-CD1 4.18Å; I123-Y129 HydrophobicContact CG1-CD2 3.85Å; I123-Y129 HydrophobicContact CG1-CE1 3.88Å; I123-Y129 HydrophobicContact CG1-CE2 3.54Å; I123-Y129 HydrophobicContact CG1-CG 4.15Å; I123-Y129 HydrophobicContact CG2-CD1 3.49Å; I123-Y129 VanDerWaalsContact CG2-CD1 3.49Å; I123-Y129 HydrophobicContact CG2-CD2 4.15Å; I123-Y129 HydrophobicContact CG2-CE1 3.94Å; I123-Y129 HydrophobicContact CG2-CG 3.6Å; Y129-C142 HydrophobicContact CE2-CB 3.81Å; Y129-C142 WeakPolarHBondContact OH-CB 3.36Å; Y129-M143 VanDerWaalsContact CD2-O 3.26Å; Y129-M143 WeakPolarHBondContact CD2-O 3.13Å
130	Q	47.5	Very low	48.3	Very low	17 Å²	17	73 Å²	73	8%	0.079	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.1	-178.9	-56.3	-176.6	-6	0	0	113.3	M143 I145 L195	Q130-M143 HydrophobicContact CB-CB 4.24Å; Q130-M143 PolarHBondContact N-O 3.17Å; Q130-M143 PolarHBondContact O-N 2.72Å; Q130-M143 PolarHBondContact OE1-SD 3.44Å; Q130-I145 HydrophobicContact CG-CD1 4.29Å; Q130-L195 VanDerWaalsContact OE1-CD2 3.25Å
131	L	36.6	Very low	48.5	Very low	117 Å²	117	70.1 Å²	70.1	61%	0.613	37%	0.371	S	S	*	.			trans	-77.4	161.1	-172.6	-77.4	171.6	0	0	0	113.1	T133	L131-T133 PolarHBondContact O-N 3.04Å; L131-T133 PolarHBondContact O-OG1 3.02Å
132	P	36.3	Very low	48.6	Very low	81 Å²	81	63 Å²	63	53%	0.526	34%	0.338	S	S	.	.			trans	-51.8	136.6	-178.7	-22.8	28.1	0	0	0	113	I140 H141	P132-I140 CarbonylContact C-O 3.57Å; P132-I140 WeakPolarHBondContact CA-O 3.15Å; P132-I140 VanDerWaalsContact CB-O 3.29Å; P132-I140 WeakPolarHBondContact CB-O 3.49Å; P132-H141 WeakPolarHBondContact CG-O 3.4Å
133	T	42.6	Very low	48.5	Very low	74 Å²	74	60 Å²	60	45%	0.454	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.6	177.5	-61.7	0	0	0	0	108.6	L131 V135 I140	L131-T133 PolarHBondContact O-N 3.04Å; L131-T133 PolarHBondContact O-OG1 3.02Å; T133-V135 HydrophobicContact CG2-CG2 4.05Å; T133-I140 PolarHBondContact N-O 3.25Å; T133-I140 VanDerWaalsContact N-O 3.14Å; T133-I140 WeakPolarHBondContact O-CA 3.37Å; T133-I140 WeakPolarHBondContact O-CB 2.94Å; T133-I140 PolarHBondContact O-N 3.33Å
134	V	40.1	Very low	49.2	Very low	89 Å²	89	59.1 Å²	59.1	54%	0.539	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.9	171.9	-178.3	0	0	0	0	108.5	I138	V134-I138 WeakPolarHBondContact CA-O 3.47Å
135	V	42.3	Very low	49.9	Very low	11 Å²	11	51.6 Å²	51.6	7%	0.067	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	115.6	179.3	178.6	0	0	0	0	107.6	T133 G137 I138 I140 N187	T133-V135 HydrophobicContact CG2-CG2 4.05Å; V135-G137 VanDerWaalsContact C-N 3.27Å; V135-G137 PolarHBondContact O-N 2.84Å; V135-I138 PolarHBondContact N-O 2.73Å; V135-I138 WeakPolarHBondContact O-CB 3.44Å; V135-I138 PolarHBondContact O-N 3.02Å; V135-I140 HydrophobicContact CB-CD1 4.1Å; V135-I140 HydrophobicContact CG2-CD1 3.49Å; V135-I140 VanDerWaalsContact CG2-CD1 3.49Å; V135-I140 HydrophobicContact CG2-CG1 4.34Å; V135-N187 HydrophobicContact CG1-CB 3.67Å; V135-N187 VanDerWaalsContact CG1-CG 3.49Å; V135-N187 WeakPolarHBondContact CG1-ND2 3.27Å
136	N	43.1	Very low	50.5	Low	83 Å²	83	45.4 Å²	45.4	44%	0.444	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	41.9	-178.5	-65.1	-8.7	0	0	0	113.9	I138 A183 N187	N136-I138 PolarHBondContact O-N 3.15Å; N136-A183 PolarHBondContact ND2-O 2.04Å; N136-N187 PolarHBondContact ND2-ND2 3.16Å; N136-N187 PolarHBondContact OD1-ND2 3.3Å
137	G	41.5	Very low	51.1	Low	52 Å²	52	52 Å²	52	54%	0.536	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-2.7	-178.4	0	0	0	0	0	115.1	V135	V135-G137 VanDerWaalsContact C-N 3.27Å; V135-G137 PolarHBondContact O-N 2.84Å
138	I	45.4	Very low	51.9	Low	27 Å²	27	51.2 Å²	51.2	14%	0.138	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.5	177.3	-68.1	168.7	0	0	0	109.5	V134 V135 N136 I140 Y156 L184	V134-I138 WeakPolarHBondContact CA-O 3.47Å; V135-I138 PolarHBondContact N-O 2.73Å; V135-I138 WeakPolarHBondContact O-CB 3.44Å; V135-I138 PolarHBondContact O-N 3.02Å; N136-I138 PolarHBondContact O-N 3.15Å; I138-I140 PolarHBondContact O-N 3.3Å; I138-Y156 HydrophobicContact CG2-CD2 3.53Å; I138-Y156 HydrophobicContact CG2-CE2 4.48Å; I138-Y156 HydrophobicContact CG2-CG 3.93Å; I138-L184 HydrophobicContact CB-CD1 4.22Å; I138-L184 HydrophobicContact CD1-CD1 3.19Å; I138-L184 HydrophobicContact CG1-CD1 4.26Å; I138-L184 HydrophobicContact CG2-CD1 4.18Å
139	V	47.5	Very low	52.7	Low	55 Å²	55	55.9 Å²	55.9	33%	0.333	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	107.9	178.2	-179	0	0	0	0	108.4	Y156 Q157	V139-Y156 CarbonylContact O-C 3.58Å; V139-Y156 WeakPolarHBondContact O-CA 3.19Å; V139-Y156 WeakPolarHBondContact O-CB 3.33Å; V139-Q157 PolarHBondContact O-N 2.87Å
140	I	50.8	Low	54	Low	15 Å²	15	56.3 Å²	56.3	8%	0.077	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	118.9	165.2	-55.8	179	0	0	0	106.6	P132 T133 V135 I138 I154	P132-I140 CarbonylContact C-O 3.57Å; P132-I140 WeakPolarHBondContact CA-O 3.15Å; P132-I140 VanDerWaalsContact CB-O 3.29Å; P132-I140 WeakPolarHBondContact CB-O 3.49Å; T133-I140 PolarHBondContact N-O 3.25Å; T133-I140 VanDerWaalsContact N-O 3.14Å; T133-I140 WeakPolarHBondContact O-CA 3.37Å; T133-I140 WeakPolarHBondContact O-CB 2.94Å; T133-I140 PolarHBondContact O-N 3.33Å; V135-I140 HydrophobicContact CB-CD1 4.1Å; V135-I140 HydrophobicContact CG2-CD1 3.49Å; V135-I140 VanDerWaalsContact CG2-CD1 3.49Å; V135-I140 HydrophobicContact CG2-CG1 4.34Å; I138-I140 PolarHBondContact O-N 3.3Å; I140-I154 HydrophobicContact CD1-CG2 4.22Å; I140-I154 HydrophobicContact CG1-CG2 4.23Å; I140-I154 HydrophobicContact CG2-CG2 3.65Å
141	H	54.4	Low	55	Low	38 Å²	38	58.1 Å²	58.1	18%	0.176	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-34.4	-179.7	-75.3	-79.1	0	0	0	112.2	F112 P132 A155 Q157 T166	F112-H141 HydrophobicContact CE1-CB 4.15Å; F112-H141 AromaticContact CE1-CG 3.89Å; F112-H141 AromaticContact CE1-ND1 3.69Å; F112-H141 AromaticContact CE2-CD2 3.81Å; F112-H141 AromaticContact CE2-CE1 3.39Å; F112-H141 WeakPolarHBondContact CE2-CE1 3.15Å; F112-H141 AromaticContact CE2-CG 3.99Å; F112-H141 AromaticContact CE2-ND1 3.76Å; F112-H141 AromaticContact CE2-NE2 3.41Å; F112-H141 WeakPolarHBondContact CE2-NE2 3.15Å; F112-H141 HydrophobicContact CZ-CB 3.81Å; F112-H141 AromaticContact CZ-CD2 3.39Å; F112-H141 WeakPolarHBondContact CZ-CD2 3.36Å; F112-H141 AromaticContact CZ-CE1 3.34Å; F112-H141 WeakPolarHBondContact CZ-CE1 3.41Å; F112-H141 AromaticContact CZ-CG 3.2Å; F112-H141 AromaticContact CZ-ND1 3.2Å; F112-H141 WeakPolarHBondContact CZ-ND1 3.46Å; F112-H141 AromaticContact CZ-NE2 3.46Å; F112-H141 WeakPolarHBondContact CZ-NE2 3.06Å; P132-H141 WeakPolarHBondContact CG-O 3.4Å; H141-A155 PolarHBondContact N-O 3.08Å; H141-Q157 VanDerWaalsContact NE2-CB 3.31Å; H141-Q157 WeakPolarHBondContact NE2-CB 3.37Å; H141-Q157 PolarHBondContact NE2-OE1 3.38Å; H141-Q157 VanDerWaalsContact NE2-OE1 3.16Å; H141-T166 HydrophobicContact CB-CG2 4.26Å
142	C	58.1	Low	56.3	Low	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	149.3	-174.3	39.1	0	0	0	0	109.9	W117 C118 Y129 A155	W117-C142 HydrophobicContact CZ3-CB 4.24Å; C118-C142 HydrophobicContact CB-CB 3.69Å; C118-C142 WeakPolarHBondContact CB-SG 3.38Å; C118-C142 WeakPolarHBondContact SG-CB 3.16Å; C118-C142 CovalentContact SG-SG 1.99Å; C118-C142 PolarHBondContact SG-SG 3.02Å; Y129-C142 HydrophobicContact CE2-CB 3.81Å; Y129-C142 WeakPolarHBondContact OH-CB 3.36Å; C142-A155 PolarHBondContact N-O 2.78Å; C142-A155 PolarHBondContact O-N 2.82Å; C142-A155 WeakPolarHBondContact SG-CB 3.38Å
143	M	59.7	Low	57.8	Low	8 Å²	8	50.8 Å²	50.8	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.7	172.8	176.5	-170.1	-85.2	0	0	109.2	Y129 Q130 I145 V152 S153 I154 L191	Y129-M143 VanDerWaalsContact CD2-O 3.26Å; Y129-M143 WeakPolarHBondContact CD2-O 3.13Å; Q130-M143 HydrophobicContact CB-CB 4.24Å; Q130-M143 PolarHBondContact N-O 3.17Å; Q130-M143 PolarHBondContact O-N 2.72Å; Q130-M143 PolarHBondContact OE1-SD 3.44Å; M143-I145 HydrophobicContact CG-CG1 4.27Å; M143-I145 HydrophobicContact SD-CD1 4.23Å; M143-I145 HydrophobicContact SD-CG1 4.19Å; M143-V152 HydrophobicContact CE-CG1 3.76Å; M143-V152 HydrophobicContact CG-CG1 3.74Å; M143-V152 HydrophobicContact SD-CG1 3.65Å; M143-S153 CarbonylContact C-O 3.5Å; M143-S153 VanDerWaalsContact CA-O 3.26Å; M143-S153 WeakPolarHBondContact CA-O 3.25Å; M143-S153 WeakPolarHBondContact CG-O 3.47Å; M143-I154 HydrophobicContact CE-CD1 3.46Å; M143-I154 VanDerWaalsContact CE-CD1 3.46Å; M143-I154 HydrophobicContact CE-CG1 3.51Å; M143-I154 HydrophobicContact CG-CG1 4.26Å; M143-L191 HydrophobicContact CE-CD1 4.38Å; M143-L191 HydrophobicContact CE-CD2 4.36Å
144	N	64.2	Low	58.9	Low	33 Å²	33	47.6 Å²	47.6	18%	0.176	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.9	175.5	179.5	9.9	0	0	0	109.2	W117 S153	W117-N144 HydrophobicContact CD2-CB 4.18Å; W117-N144 HydrophobicContact CE3-CB 3.53Å; W117-N144 HydrophobicContact CZ3-CB 3.86Å; N144-S153 PolarHBondContact N-O 2.8Å; N144-S153 PolarHBondContact O-N 3.34Å
145	I	66.4	Low	60	Low	18 Å²	18	43.4 Å²	43.4	9%	0.092	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124	177.6	-60	173.7	0	0	0	107.8	E128 Q130 M143 V152 L195	E128-I145 HydrophobicContact CB-CB 4.09Å; E128-I145 HydrophobicContact CG-CD1 4.36Å; E128-I145 PolarHBondContact N-O 3.18Å; E128-I145 PolarHBondContact O-N 2.98Å; Q130-I145 HydrophobicContact CG-CD1 4.29Å; M143-I145 HydrophobicContact CG-CG1 4.27Å; M143-I145 HydrophobicContact SD-CD1 4.23Å; M143-I145 HydrophobicContact SD-CG1 4.19Å; I145-V152 HydrophobicContact CG1-CG1 4.25Å; I145-V152 HydrophobicContact CG1-CG2 4.32Å; I145-L195 HydrophobicContact CD1-CD1 3.83Å
146	S	68.9	Low	60.7	Low	18 Å²	18	44.4 Å²	44.4	13%	0.126	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	105.3	173.5	179.6	0	0	0	0	109	E127 S148 K149 N150 Q151	E127-S146 WeakPolarHBondContact OE2-CA 2.98Å; S146-S148 PolarHBondContact OG-OG 2.57Å; S146-K149 WeakPolarHBondContact OG-CB 3.33Å; S146-K149 WeakPolarHBondContact OG-CG 3.43Å; S146-K149 PolarHBondContact OG-N 2.76Å; S146-N150 WeakPolarHBondContact O-CA 3.31Å; S146-N150 PolarHBondContact O-N 2.96Å; S146-Q151 PolarHBondContact N-O 2.81Å; S146-Q151 PolarHBondContact O-N 2.83Å
147	R	68.6	Low	61.1	Low	160 Å²	160	43.5 Å²	43.5	60%	0.604	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-42.2	172.4	-62.2	-178.8	180	-170.8	-1.3	110.5	E127 E128 K149 N150	E127-R147 WeakPolarHBondContact OE2-CA 3.3Å; E127-R147 WeakPolarHBondContact OE2-CB 3.2Å; E127-R147 PolarHBondContact OE2-N 2.87Å; E128-R147 IonicContact OE2-CZ 3.68Å; E128-R147 IonicContact OE2-NE 3.94Å; E128-R147 PolarHBondContact OE2-NE 2.88Å; E128-R147 VanDerWaalsContact OE2-NE 3.15Å; E128-R147 IonicContact OE2-NH2 3.34Å; E128-R147 PolarHBondContact OE2-NH2 3.17Å; R147-K149 VanDerWaalsContact C-N 3.28Å; R147-K149 PolarHBondContact O-N 3.06Å; R147-N150 PolarHBondContact O-N 2.84Å; R147-N150 VanDerWaalsContact O-N 3.15Å
148	S	74.3	Confident	61.4	Low	87 Å²	87	42.8 Å²	42.8	61%	0.608	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.9	178.3	58	0	0	0	0	113.1	E127 S146	E127-S148 WeakPolarHBondContact OE1-CB 3.31Å; E127-S148 PolarHBondContact OE1-OG 3.15Å; E127-S148 PolarHBondContact OE2-N 2.95Å; S146-S148 PolarHBondContact OG-OG 2.57Å
149	K	73.8	Confident	61.5	Low	138 Å²	138	45 Å²	45	60%	0.6	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.5	178.5	-61.5	177.4	-178.2	177	0	113.6	S146 R147 Q151	S146-K149 WeakPolarHBondContact OG-CB 3.33Å; S146-K149 WeakPolarHBondContact OG-CG 3.43Å; S146-K149 PolarHBondContact OG-N 2.76Å; R147-K149 VanDerWaalsContact C-N 3.28Å; R147-K149 PolarHBondContact O-N 3.06Å; K149-Q151 HydrophobicContact CB-CB 4.15Å; K149-Q151 HydrophobicContact CB-CG 4.28Å; K149-Q151 VanDerWaalsContact O-CG 3.31Å; K149-Q151 WeakPolarHBondContact O-CG 3.45Å; K149-Q151 PolarHBondContact O-N 3.08Å
150	N	71.5	Confident	61	Low	61 Å²	61	49 Å²	49	33%	0.326	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	47	47.2	-170.5	-158.3	32	0	0	0	112.3	S146 R147 K172 V173 D174	S146-N150 WeakPolarHBondContact O-CA 3.31Å; S146-N150 PolarHBondContact O-N 2.96Å; R147-N150 PolarHBondContact O-N 2.84Å; R147-N150 VanDerWaalsContact O-N 3.15Å; N150-K172 CarbonylContact O-C 3.59Å; N150-K172 VanDerWaalsContact O-CA 3.31Å; N150-K172 WeakPolarHBondContact O-CA 3.25Å; N150-V173 WeakPolarHBondContact O-CG2 3.2Å; N150-V173 PolarHBondContact O-N 3.19Å; N150-V173 WeakPolarHBondContact OD1-CB 3.31Å; N150-V173 WeakPolarHBondContact OD1-CG2 3.32Å; N150-D174 PolarHBondContact ND2-OD1 2.71Å; N150-D174 PolarHBondContact ND2-OD2 2.92Å
151	Q	69.4	Low	60.9	Low	55 Å²	55	52 Å²	52	26%	0.257	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.4	-171.4	-80	167.1	16.2	0	0	112.7	S146 K149 T170 I171 K172	S146-Q151 PolarHBondContact N-O 2.81Å; S146-Q151 PolarHBondContact O-N 2.83Å; K149-Q151 HydrophobicContact CB-CB 4.15Å; K149-Q151 HydrophobicContact CB-CG 4.28Å; K149-Q151 VanDerWaalsContact O-CG 3.31Å; K149-Q151 WeakPolarHBondContact O-CG 3.45Å; K149-Q151 PolarHBondContact O-N 3.08Å; Q151-T170 HydrophobicContact CB-CG2 4.05Å; Q151-T170 HydrophobicContact CG-CG2 4.15Å; Q151-I171 CarbonylContact C-O 3.38Å; Q151-I171 WeakPolarHBondContact CA-O 3.39Å; Q151-K172 HydrophobicContact CG-CG 3.9Å
152	V	64.4	Low	60.4	Low	26 Å²	26	53.2 Å²	53.2	16%	0.158	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123	172.7	-178.4	0	0	0	0	108.8	M143 I145 I154 T170 I171 V173	M143-V152 HydrophobicContact CE-CG1 3.76Å; M143-V152 HydrophobicContact CG-CG1 3.74Å; M143-V152 HydrophobicContact SD-CG1 3.65Å; I145-V152 HydrophobicContact CG1-CG1 4.25Å; I145-V152 HydrophobicContact CG1-CG2 4.32Å; V152-I154 HydrophobicContact CG1-CG1 4.07Å; V152-T170 CarbonylContact O-C 3.21Å; V152-T170 VanDerWaalsContact O-CA 3.27Å; V152-T170 WeakPolarHBondContact O-CA 3.47Å; V152-I171 PolarHBondContact N-O 3.13Å; V152-I171 PolarHBondContact O-N 3.43Å; V152-V173 HydrophobicContact CG2-CG2 4.3Å
153	S	67.8	Low	59.5	Low	19 Å²	19	61 Å²	61	13%	0.133	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.9	175.7	-59.7	0	0	0	0	110.2	W117 M143 N144 H169 T170	W117-S153 WeakPolarHBondContact CH2-O 3.41Å; M143-S153 CarbonylContact C-O 3.5Å; M143-S153 VanDerWaalsContact CA-O 3.26Å; M143-S153 WeakPolarHBondContact CA-O 3.25Å; M143-S153 WeakPolarHBondContact CG-O 3.47Å; N144-S153 PolarHBondContact N-O 2.8Å; N144-S153 PolarHBondContact O-N 3.34Å; S153-H169 CarbonylContact C-O 3.5Å; S153-H169 WeakPolarHBondContact CA-O 3.28Å; S153-T170 WeakPolarHBondContact OG-CG2 3.19Å; S153-T170 PolarHBondContact OG-OG1 2.85Å
154	I	64.5	Low	58.8	Low	7 Å²	7	64.7 Å²	64.7	4%	0.036	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127	-176.4	-48.8	-178.4	0	0	0	108.2	I140 M143 V152 Y156 T168 H169 F185 V188	I140-I154 HydrophobicContact CD1-CG2 4.22Å; I140-I154 HydrophobicContact CG1-CG2 4.23Å; I140-I154 HydrophobicContact CG2-CG2 3.65Å; M143-I154 HydrophobicContact CE-CD1 3.46Å; M143-I154 VanDerWaalsContact CE-CD1 3.46Å; M143-I154 HydrophobicContact CE-CG1 3.51Å; M143-I154 HydrophobicContact CG-CG1 4.26Å; V152-I154 HydrophobicContact CG1-CG1 4.07Å; I154-Y156 HydrophobicContact CG2-CD1 4.19Å; I154-T168 CarbonylContact O-C 3.4Å; I154-T168 VanDerWaalsContact O-CA 3.26Å; I154-T168 WeakPolarHBondContact O-CA 3.25Å; I154-H169 PolarHBondContact N-O 3.34Å; I154-H169 PolarHBondContact O-N 2.86Å; I154-F185 HydrophobicContact CD1-CE1 4.26Å; I154-V188 HydrophobicContact CD1-CG2 4.49Å
155	A	62.7	Low	58.2	Low	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.6	170.1	0	0	0	0	0	108.1	P115 W117 H141 C142 T166 L167 T168	P115-A155 HydrophobicContact CG-CB 3.78Å; W117-A155 HydrophobicContact CH2-CB 3.58Å; W117-A155 HydrophobicContact CZ2-CB 4.03Å; W117-A155 HydrophobicContact CZ3-CB 4.24Å; H141-A155 PolarHBondContact N-O 3.08Å; C142-A155 PolarHBondContact N-O 2.78Å; C142-A155 PolarHBondContact O-N 2.82Å; C142-A155 WeakPolarHBondContact SG-CB 3.38Å; A155-T166 HydrophobicContact CB-CG2 3.4Å; A155-T166 VanDerWaalsContact CB-CG2 3.4Å; A155-L167 VanDerWaalsContact CA-O 3.26Å; A155-L167 WeakPolarHBondContact CA-O 3.5Å; A155-T168 HydrophobicContact CB-CG2 4.26Å
156	Y	57.7	Low	57.7	Low	32 Å²	32	65.9 Å²	65.9	13%	0.125	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160	179.4	60.8	-83.3	0	0	0	109.5	I138 V139 I154 D158 T166 L167 H169 L184	I138-Y156 HydrophobicContact CG2-CD2 3.53Å; I138-Y156 HydrophobicContact CG2-CE2 4.48Å; I138-Y156 HydrophobicContact CG2-CG 3.93Å; V139-Y156 CarbonylContact O-C 3.58Å; V139-Y156 WeakPolarHBondContact O-CA 3.19Å; V139-Y156 WeakPolarHBondContact O-CB 3.33Å; I154-Y156 HydrophobicContact CG2-CD1 4.19Å; Y156-D158 HydrophobicContact CE2-CB 4.49Å; Y156-T166 WeakPolarHBondContact O-CG2 3.34Å; Y156-L167 HydrophobicContact CD1-CB 4.48Å; Y156-L167 WeakPolarHBondContact CD1-O 3.36Å; Y156-L167 HydrophobicContact CD2-CB 4.28Å; Y156-L167 HydrophobicContact CE1-CB 4.03Å; Y156-L167 HydrophobicContact CE2-CB 3.84Å; Y156-L167 HydrophobicContact CE2-CD1 3.77Å; Y156-L167 HydrophobicContact CE2-CG 4.41Å; Y156-L167 PolarHBondContact N-O 3.23Å; Y156-L167 PolarHBondContact O-N 3.2Å; Y156-H169 HydrophobicContact CE1-CB 3.96Å; Y156-L184 HydrophobicContact CD1-CD2 4.41Å; Y156-L184 HydrophobicContact CE1-CD2 4Å; Y156-L184 HydrophobicContact CE2-CD2 4.29Å
157	Q	52.7	Low	57.1	Low	64 Å²	64	67.5 Å²	67.5	30%	0.299	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.1	172.5	-175.5	169.6	11.9	0	0	108.2	V139 H141 H159	V139-Q157 PolarHBondContact O-N 2.87Å; H141-Q157 VanDerWaalsContact NE2-CB 3.31Å; H141-Q157 WeakPolarHBondContact NE2-CB 3.37Å; H141-Q157 PolarHBondContact NE2-OE1 3.38Å; H141-Q157 VanDerWaalsContact NE2-OE1 3.16Å; Q157-H159 PolarHBondContact O-N 3.11Å
158	D	47.2	Very low	56.8	Low	37 Å²	37	63.5 Å²	63.5	20%	0.198	34%	0.34	C	S	.	.			trans	-72.8	120.6	170.3	-170.6	-9.6	0	0	0	108.9	Y156 M160 M161 L167	Y156-D158 HydrophobicContact CE2-CB 4.49Å; D158-M160 PolarHBondContact O-N 1.99Å; D158-M160 WeakPolarHBondContact OD1-CB 3.32Å; D158-M160 WeakPolarHBondContact OD1-CG 3.26Å; D158-M160 PolarHBondContact OD1-N 2.97Å; D158-M161 CarbonylContact O-C 3.22Å; D158-M161 PolarHBondContact O-N 3.12Å; D158-L167 HydrophobicContact CB-CD1 3.51Å; D158-L167 HydrophobicContact CB-CG 4.33Å
159	H	47.2	Very low	56.2	Low	74 Å²	74	61.7 Å²	61.7	34%	0.343	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.9	175.4	71.9	-63	0	0	0	113.2	Q157 M161	Q157-H159 PolarHBondContact O-N 3.11Å; H159-M161 VanDerWaalsContact C-N 3.29Å
160	M	37.8	Very low	55.9	Low	138 Å²	138	58.5 Å²	58.5	68%	0.68	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.8	175.2	-62.7	-101.1	-71.6	0	0	113	D158	D158-M160 PolarHBondContact O-N 1.99Å; D158-M160 WeakPolarHBondContact OD1-CB 3.32Å; D158-M160 WeakPolarHBondContact OD1-CG 3.26Å; D158-M160 PolarHBondContact OD1-N 2.97Å
161	M	47.1	Very low	55.4	Low	79 Å²	79	56.2 Å²	56.2	39%	0.389	30%	0.302	S	S	.	.			trans	-136.9	60.3	-175.2	-67	177.3	161.4	0	0	111.3	D158 H159 N163 I164	D158-M161 CarbonylContact O-C 3.22Å; D158-M161 PolarHBondContact O-N 3.12Å; H159-M161 VanDerWaalsContact C-N 3.29Å; M161-N163 PolarHBondContact O-N 3.26Å; M161-N163 VanDerWaalsContact O-N 3.08Å; M161-I164 HydrophobicContact CB-CB 3.98Å; M161-I164 HydrophobicContact CB-CD1 3.98Å; M161-I164 HydrophobicContact CB-CG1 4.02Å; M161-I164 HydrophobicContact CE-CD1 4.28Å; M161-I164 HydrophobicContact CG-CD1 3.97Å; M161-I164 PolarHBondContact O-N 2.87Å; M161-I164 HydrophobicContact SD-CD1 3.72Å
162	P	43.7	Very low	55.1	Low	64 Å²	64	58.2 Å²	58.2	42%	0.416	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.6	-175.5	25.5	-34.1	0	0	0	113.4
163	N	41.2	Very low	54.7	Low	162 Å²	162	59.1 Å²	59.1	87%	0.866	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.7	179.5	-66	-21.3	0	0	0	113.9	M161	M161-N163 PolarHBondContact O-N 3.26Å; M161-N163 VanDerWaalsContact O-N 3.08Å
164	I	43.1	Very low	53.9	Low	86 Å²	86	64.6 Å²	64.6	44%	0.441	34%	0.343	S	S	.	.	S	Bend	trans	-104.6	136.3	-179.6	-57.8	-173	0	0	0	108.6	M161	M161-I164 HydrophobicContact CB-CB 3.98Å; M161-I164 HydrophobicContact CB-CD1 3.98Å; M161-I164 HydrophobicContact CB-CG1 4.02Å; M161-I164 HydrophobicContact CE-CD1 4.28Å; M161-I164 HydrophobicContact CG-CD1 3.97Å; M161-I164 PolarHBondContact O-N 2.87Å; M161-I164 HydrophobicContact SD-CD1 3.72Å
165	S	53.4	Low	53.1	Low	64 Å²	64	69 Å²	69	45%	0.448	36%	0.363	S	S	.	.			trans	-44.5	149.8	172.6	49.6	0	0	0	0	111.8	S113 L167	S113-S165 WeakPolarHBondContact OG-CB 3.45Å; S165-L167 PolarHBondContact O-N 2.83Å
166	T	54.9	Low	51.9	Low	12 Å²	12	77 Å²	77	7%	0.074	40%	0.404	C	S	.	.			trans	-39.1	121.9	-179.4	-23.8	0	0	0	0	111.4	F112 S113 H141 A155 Y156 T168	F112-T166 HydrophobicContact CZ-CG2 3.95Å; S113-T166 PolarHBondContact O-OG1 3.16Å; S113-T166 VanDerWaalsContact O-OG1 3.11Å; H141-T166 HydrophobicContact CB-CG2 4.26Å; A155-T166 HydrophobicContact CB-CG2 3.4Å; A155-T166 VanDerWaalsContact CB-CG2 3.4Å; Y156-T166 WeakPolarHBondContact O-CG2 3.34Å; T166-T168 PolarHBondContact O-N 3.31Å
167	L	55.6	Low	51.1	Low	53 Å²	53	77.5 Å²	77.5	28%	0.277	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.9	174.1	-70.2	-175.2	0	0	0	108.1	A155 Y156 D158 S165	A155-L167 VanDerWaalsContact CA-O 3.26Å; A155-L167 WeakPolarHBondContact CA-O 3.5Å; Y156-L167 HydrophobicContact CD1-CB 4.48Å; Y156-L167 WeakPolarHBondContact CD1-O 3.36Å; Y156-L167 HydrophobicContact CD2-CB 4.28Å; Y156-L167 HydrophobicContact CE1-CB 4.03Å; Y156-L167 HydrophobicContact CE2-CB 3.84Å; Y156-L167 HydrophobicContact CE2-CD1 3.77Å; Y156-L167 HydrophobicContact CE2-CG 4.41Å; Y156-L167 PolarHBondContact N-O 3.23Å; Y156-L167 PolarHBondContact O-N 3.2Å; D158-L167 HydrophobicContact CB-CD1 3.51Å; D158-L167 HydrophobicContact CB-CG 4.33Å; S165-L167 PolarHBondContact O-N 2.83Å
168	T	63.8	Low	50	Low	75 Å²	75	76.9 Å²	76.9	46%	0.46	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.1	176.5	57.4	0	0	0	0	110.2	P115 W117 I154 A155 T166	P115-T168 HydrophobicContact CB-CG2 3.93Å; P115-T168 HydrophobicContact CG-CG2 3.26Å; W117-T168 HydrophobicContact CZ2-CG2 3.61Å; I154-T168 CarbonylContact O-C 3.4Å; I154-T168 VanDerWaalsContact O-CA 3.26Å; I154-T168 WeakPolarHBondContact O-CA 3.25Å; A155-T168 HydrophobicContact CB-CG2 4.26Å; T166-T168 PolarHBondContact O-N 3.31Å
169	H	61	Low	49.2	Very low	49 Å²	49	80.9 Å²	80.9	23%	0.227	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.3	173.9	-164.6	88.3	0	0	0	109.7	S153 I154 Y156 I171 F185	S153-H169 CarbonylContact C-O 3.5Å; S153-H169 WeakPolarHBondContact CA-O 3.28Å; I154-H169 PolarHBondContact N-O 3.34Å; I154-H169 PolarHBondContact O-N 2.86Å; Y156-H169 HydrophobicContact CE1-CB 3.96Å; H169-I171 WeakPolarHBondContact CD2-CD1 3.37Å; H169-I171 VanDerWaalsContact CD2-CG1 3.44Å; H169-I171 WeakPolarHBondContact CD2-CG1 2.95Å; H169-I171 WeakPolarHBondContact NE2-CD1 3.31Å; H169-I171 WeakPolarHBondContact NE2-CG1 3.4Å; H169-F185 HydrophobicContact CB-CZ 4.47Å; H169-F185 AromaticContact CD2-CE2 3.85Å; H169-F185 AromaticContact CD2-CZ 3.29Å; H169-F185 WeakPolarHBondContact CD2-CZ 3.36Å; H169-F185 AromaticContact CG-CZ 3.93Å; H169-F185 AromaticContact NE2-CE2 3.93Å; H169-F185 AromaticContact NE2-CZ 3.75Å
170	T	66.7	Low	48.5	Very low	71 Å²	71	83.1 Å²	83.1	44%	0.436	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122	-180	-58.3	0	0	0	0	109.7	Q151 V152 S153	Q151-T170 HydrophobicContact CB-CG2 4.05Å; Q151-T170 HydrophobicContact CG-CG2 4.15Å; V152-T170 CarbonylContact O-C 3.21Å; V152-T170 VanDerWaalsContact O-CA 3.27Å; V152-T170 WeakPolarHBondContact O-CA 3.47Å; S153-T170 WeakPolarHBondContact OG-CG2 3.19Å; S153-T170 PolarHBondContact OG-OG1 2.85Å
171	I	61	Low	48.4	Very low	14 Å²	14	79 Å²	79	7%	0.072	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.8	179.5	-74.4	158.1	0	0	0	109.9	Q151 V152 H169 V177 F185	Q151-I171 CarbonylContact C-O 3.38Å; Q151-I171 WeakPolarHBondContact CA-O 3.39Å; V152-I171 PolarHBondContact N-O 3.13Å; V152-I171 PolarHBondContact O-N 3.43Å; H169-I171 WeakPolarHBondContact CD2-CD1 3.37Å; H169-I171 VanDerWaalsContact CD2-CG1 3.44Å; H169-I171 WeakPolarHBondContact CD2-CG1 2.95Å; H169-I171 WeakPolarHBondContact NE2-CD1 3.31Å; H169-I171 WeakPolarHBondContact NE2-CG1 3.4Å; I171-V177 HydrophobicContact CD1-CG1 4.46Å; I171-V177 HydrophobicContact CD1-CG2 4.11Å; I171-V177 HydrophobicContact CG2-CG2 4.12Å; I171-F185 HydrophobicContact CD1-CD1 3.37Å; I171-F185 HydrophobicContact CD1-CE1 2.89Å; I171-F185 HydrophobicContact CD1-CE2 4.33Å; I171-F185 HydrophobicContact CD1-CG 4.36Å; I171-F185 HydrophobicContact CD1-CZ 3.44Å; I171-F185 VanDerWaalsContact CD1-CZ 3.44Å; I171-F185 HydrophobicContact CG1-CE1 4.35Å
172	K	64.4	Low	47.6	Very low	97 Å²	97	76.9 Å²	76.9	42%	0.422	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.4	164.8	-62.6	-175.4	-158.2	136.1	0	109.7	N150 Q151 D174 E175	N150-K172 CarbonylContact O-C 3.59Å; N150-K172 VanDerWaalsContact O-CA 3.31Å; N150-K172 WeakPolarHBondContact O-CA 3.25Å; Q151-K172 HydrophobicContact CG-CG 3.9Å; K172-D174 PolarHBondContact O-N 3.14Å; K172-E175 HydrophobicContact CB-CB 4.27Å; K172-E175 HydrophobicContact CB-CG 4.16Å; K172-E175 IonicContact NZ-OE1 2.9Å; K172-E175 PolarHBondContact NZ-OE1 2Å; K172-E175 PolarHBondContact O-N 3.39Å
173	V	55.7	Low	47.1	Very low	45 Å²	45	77.4 Å²	77.4	27%	0.273	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.7	-175.4	174.6	0	0	0	0	112.3	N150 V152 K192	N150-V173 WeakPolarHBondContact O-CG2 3.2Å; N150-V173 PolarHBondContact O-N 3.19Å; N150-V173 WeakPolarHBondContact OD1-CB 3.31Å; N150-V173 WeakPolarHBondContact OD1-CG2 3.32Å; V152-V173 HydrophobicContact CG2-CG2 4.3Å; V173-K192 PolarHBondContact O-NZ 3.17Å
174	D	51.3	Low	46.9	Very low	134 Å²	134	71.2 Å²	71.2	72%	0.717	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-2.5	-177.5	-52.3	-25	0	0	0	114.3	N150 K172	N150-D174 PolarHBondContact ND2-OD1 2.71Å; N150-D174 PolarHBondContact ND2-OD2 2.92Å; K172-D174 PolarHBondContact O-N 3.14Å
175	E	48	Very low	46.7	Very low	98 Å²	98	67.8 Å²	67.8	46%	0.458	39%	0.387	S	S	.	.	S	Bend	trans	-83.4	137.7	177.6	-89.3	170.5	-179.7	0	0	111.5	K172 V177	K172-E175 HydrophobicContact CB-CB 4.27Å; K172-E175 HydrophobicContact CB-CG 4.16Å; K172-E175 IonicContact NZ-OE1 2.9Å; K172-E175 PolarHBondContact NZ-OE1 2Å; K172-E175 PolarHBondContact O-N 3.39Å; E175-V177 PolarHBondContact O-N 3.45Å
176	I	37.2	Very low	45.8	Very low	169 Å²	169	72.7 Å²	72.7	87%	0.867	40%	0.403	S	S	*	.			trans	-69.2	115.1	168.5	-60.3	173.9	0	0	0	107
177	V	39.6	Very low	45.1	Very low	42 Å²	42	73.1 Å²	73.1	26%	0.255	41%	0.405	S	S	.	.			trans	-71.6	132	177.5	-172.4	0	0	0	0	109.1	I171 E175 D181 F185	I171-V177 HydrophobicContact CD1-CG1 4.46Å; I171-V177 HydrophobicContact CD1-CG2 4.11Å; I171-V177 HydrophobicContact CG2-CG2 4.12Å; E175-V177 PolarHBondContact O-N 3.45Å; V177-D181 HydrophobicContact CG1-CB 3.8Å; V177-D181 WeakPolarHBondContact CG1-OD2 3.2Å; V177-F185 HydrophobicContact CB-CB 4.26Å; V177-F185 HydrophobicContact CG1-CB 3.47Å; V177-F185 VanDerWaalsContact CG1-CB 3.47Å; V177-F185 HydrophobicContact CG1-CD1 3.89Å; V177-F185 HydrophobicContact CG1-CD2 4.13Å; V177-F185 HydrophobicContact CG1-CG 3.55Å; V177-F185 HydrophobicContact CG2-CD1 4.42Å
178	S	30.9	Very low	44.2	Very low	52 Å²	52	71.4 Å²	71.4	36%	0.364	40%	0.396	S	S	.	.			trans	-68.1	145.3	-173.7	179.1	0	0	0	0	111	K180 D181	S178-K180 PolarHBondContact O-N 3.26Å; S178-K180 WeakPolarHBondContact OG-CB 3.34Å; S178-K180 PolarHBondContact OG-N 3.4Å; S178-K180 VanDerWaalsContact OG-N 3.16Å; S178-D181 WeakPolarHBondContact CB-OD2 3.39Å; S178-D181 PolarHBondContact N-OD2 2.69Å; S178-D181 WeakPolarHBondContact O-CB 3.46Å; S178-D181 PolarHBondContact O-N 2.82Å
179	P	30.1	Very low	43.2	Very low	120 Å²	120	72.9 Å²	72.9	78%	0.779	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-56.3	-18.1	166.3	-23.2	33.1	0	0	0	113.7	D181 G182	P179-D181 PolarHBondContact O-N 2.72Å; P179-G182 WeakPolarHBondContact O-CA 3.41Å; P179-G182 PolarHBondContact O-N 2.97Å
180	K	32.3	Very low	42.4	Very low	122 Å²	122	73.2 Å²	73.2	53%	0.53	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-63	-24.5	169	-90.1	-175.4	170.5	179.1	0	113.4	S178 S375	S178-K180 PolarHBondContact O-N 3.26Å; S178-K180 WeakPolarHBondContact OG-CB 3.34Å; S178-K180 PolarHBondContact OG-N 3.4Å; S178-K180 VanDerWaalsContact OG-N 3.16Å; K180-S375 VanDerWaalsContact CE-OG 3.22Å; K180-S375 WeakPolarHBondContact CE-OG 3.4Å; K180-S375 VanDerWaalsContact NZ-CB 3.28Å; K180-S375 PolarHBondContact NZ-O 2.83Å; K180-S375 PolarHBondContact NZ-OG 2.82Å
181	D	36.1	Very low	41.4	Very low	52 Å²	52	70.9 Å²	70.9	28%	0.278	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-92.1	10.7	173.5	-40.2	-57.4	0	0	0	110.5	V177 S178 P179 A183 L184 F185	V177-D181 HydrophobicContact CG1-CB 3.8Å; V177-D181 WeakPolarHBondContact CG1-OD2 3.2Å; S178-D181 WeakPolarHBondContact CB-OD2 3.39Å; S178-D181 PolarHBondContact N-OD2 2.69Å; S178-D181 WeakPolarHBondContact O-CB 3.46Å; S178-D181 PolarHBondContact O-N 2.82Å; P179-D181 PolarHBondContact O-N 2.72Å; D181-A183 VanDerWaalsContact C-N 3.34Å; D181-A183 PolarHBondContact O-N 2.8Å; D181-L184 PolarHBondContact O-N 3.01Å; D181-F185 HydrophobicContact CB-CB 4.23Å; D181-F185 HydrophobicContact CB-CD2 3.3Å; D181-F185 HydrophobicContact CB-CE2 3.94Å; D181-F185 HydrophobicContact CB-CG 4.02Å; D181-F185 WeakPolarHBondContact O-CD2 3.06Å; D181-F185 PolarHBondContact O-N 2.96Å; D181-F185 VanDerWaalsContact O-N 3.08Å
182	G	29	Very low	40.8	Very low	34 Å²	34	73.1 Å²	73.1	35%	0.351	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	6.1	-156	0	0	0	0	0	119.4	P179	P179-G182 WeakPolarHBondContact O-CA 3.41Å; P179-G182 PolarHBondContact O-N 2.97Å
183	A	33.7	Very low	40.1	Very low	74 Å²	74	72.4 Å²	72.4	61%	0.612	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-19.3	163.5	0	0	0	0	0	112.5	N136 D181	N136-A183 PolarHBondContact ND2-O 2.04Å; D181-A183 VanDerWaalsContact C-N 3.34Å; D181-A183 PolarHBondContact O-N 2.8Å
184	L	37.5	Very low	39.8	Very low	32 Å²	32	71 Å²	71	17%	0.168	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-23	177.2	-150.3	84.7	0	0	0	111.7	I138 Y156 D181	I138-L184 HydrophobicContact CB-CD1 4.22Å; I138-L184 HydrophobicContact CD1-CD1 3.19Å; I138-L184 HydrophobicContact CG1-CD1 4.26Å; I138-L184 HydrophobicContact CG2-CD1 4.18Å; Y156-L184 HydrophobicContact CD1-CD2 4.41Å; Y156-L184 HydrophobicContact CE1-CD2 4Å; Y156-L184 HydrophobicContact CE2-CD2 4.29Å; D181-L184 PolarHBondContact O-N 3.01Å
185	F	38.6	Very low	39.7	Very low	15 Å²	15	65.7 Å²	65.7	7%	0.066	36%	0.361	C	S	.	.	S	Bend	trans	-119.7	-4.5	-164.9	-72.6	-83.5	0	0	0	118.1	I154 H169 I171 V177 D181 N187 V188	I154-F185 HydrophobicContact CD1-CE1 4.26Å; H169-F185 HydrophobicContact CB-CZ 4.47Å; H169-F185 AromaticContact CD2-CE2 3.85Å; H169-F185 AromaticContact CD2-CZ 3.29Å; H169-F185 WeakPolarHBondContact CD2-CZ 3.36Å; H169-F185 AromaticContact CG-CZ 3.93Å; H169-F185 AromaticContact NE2-CE2 3.93Å; H169-F185 AromaticContact NE2-CZ 3.75Å; I171-F185 HydrophobicContact CD1-CD1 3.37Å; I171-F185 HydrophobicContact CD1-CE1 2.89Å; I171-F185 HydrophobicContact CD1-CE2 4.33Å; I171-F185 HydrophobicContact CD1-CG 4.36Å; I171-F185 HydrophobicContact CD1-CZ 3.44Å; I171-F185 VanDerWaalsContact CD1-CZ 3.44Å; I171-F185 HydrophobicContact CG1-CE1 4.35Å; V177-F185 HydrophobicContact CB-CB 4.26Å; V177-F185 HydrophobicContact CG1-CB 3.47Å; V177-F185 VanDerWaalsContact CG1-CB 3.47Å; V177-F185 HydrophobicContact CG1-CD1 3.89Å; V177-F185 HydrophobicContact CG1-CD2 4.13Å; V177-F185 HydrophobicContact CG1-CG 3.55Å; V177-F185 HydrophobicContact CG2-CD1 4.42Å; D181-F185 HydrophobicContact CB-CB 4.23Å; D181-F185 HydrophobicContact CB-CD2 3.3Å; D181-F185 HydrophobicContact CB-CE2 3.94Å; D181-F185 HydrophobicContact CB-CG 4.02Å; D181-F185 WeakPolarHBondContact O-CD2 3.06Å; D181-F185 PolarHBondContact O-N 2.96Å; D181-F185 VanDerWaalsContact O-N 3.08Å; F185-N187 PolarHBondContact O-N 3Å; F185-V188 HydrophobicContact CD1-CB 3.61Å; F185-V188 HydrophobicContact CD1-CG1 4.35Å; F185-V188 HydrophobicContact CD1-CG2 3.09Å; F185-V188 HydrophobicContact CE1-CB 4.26Å; F185-V188 HydrophobicContact CE1-CG2 3.3Å; F185-V188 HydrophobicContact CG-CG2 4.19Å; F185-V188 PolarHBondContact O-N 3.19Å
186	Q	34.1	Very low	40.2	Very low	167 Å²	167	68.6 Å²	68.6	78%	0.78	37%	0.368	S	S	*	.	H	α-helix	trans	-55.4	-26.5	153.2	-86.2	-176.4	-12.7	0	0	110.3
187	N	40.1	Very low	40.9	Very low	21 Å²	21	61.4 Å²	61.4	11%	0.112	33%	0.331	C	S	.	.	H	α-helix	trans	-77.5	-9.6	173	-78.1	-46.9	0	0	0	115.7	V135 N136 F185 M190 L191 Y218	V135-N187 HydrophobicContact CG1-CB 3.67Å; V135-N187 VanDerWaalsContact CG1-CG 3.49Å; V135-N187 WeakPolarHBondContact CG1-ND2 3.27Å; N136-N187 PolarHBondContact ND2-ND2 3.16Å; N136-N187 PolarHBondContact OD1-ND2 3.3Å; F185-N187 PolarHBondContact O-N 3Å; N187-M190 WeakPolarHBondContact O-CB 3.35Å; N187-L191 VanDerWaalsContact O-CB 3.24Å; N187-L191 WeakPolarHBondContact O-CB 2.75Å; N187-L191 VanDerWaalsContact O-CD1 3.26Å; N187-L191 WeakPolarHBondContact O-CD1 3.31Å; N187-L191 WeakPolarHBondContact O-CG 3.01Å; N187-L191 PolarHBondContact O-N 2.65Å; N187-Y218 PolarHBondContact OD1-OH 3.41Å
188	V	37.9	Very low	41.5	Very low	16 Å²	16	62.9 Å²	62.9	10%	0.097	33%	0.332	C	S	.	.	H	α-helix	trans	-83.7	-35.1	179	161.3	0	0	0	0	113.9	I154 F185 M190 L191 K192	I154-V188 HydrophobicContact CD1-CG2 4.49Å; F185-V188 HydrophobicContact CD1-CB 3.61Å; F185-V188 HydrophobicContact CD1-CG1 4.35Å; F185-V188 HydrophobicContact CD1-CG2 3.09Å; F185-V188 HydrophobicContact CE1-CB 4.26Å; F185-V188 HydrophobicContact CE1-CG2 3.3Å; F185-V188 HydrophobicContact CG-CG2 4.19Å; F185-V188 PolarHBondContact O-N 3.19Å; V188-M190 PolarHBondContact O-N 2.71Å; V188-L191 HydrophobicContact CG2-CD1 3.98Å; V188-L191 PolarHBondContact O-N 2.81Å; V188-K192 HydrophobicContact CG1-CD 4.48Å; V188-K192 WeakPolarHBondContact O-CB 3.43Å; V188-K192 VanDerWaalsContact O-CG 3.26Å; V188-K192 WeakPolarHBondContact O-CG 3.12Å; V188-K192 PolarHBondContact O-N 3.4Å
189	T	41.1	Very low	42.6	Very low	107 Å²	107	65.5 Å²	65.5	66%	0.656	34%	0.34	S	S	*	.	H	α-helix	trans	-60.9	-40.3	166	-56.4	0	0	0	0	109.9	K192 F193	T189-K192 PolarHBondContact O-N 3.36Å; T189-F193 PolarHBondContact O-N 3.27Å
190	M	44.5	Very low	44	Very low	56 Å²	56	67.4 Å²	67.4	28%	0.276	34%	0.336	S	S	.	.	H	α-helix	trans	-65.3	-45.9	176.1	-164.7	56.7	84.8	0	0	112.4	N187 V188 K192 F193 I194 Y218 F227	N187-M190 WeakPolarHBondContact O-CB 3.35Å; V188-M190 PolarHBondContact O-N 2.71Å; M190-K192 PolarHBondContact O-N 3.46Å; M190-F193 WeakPolarHBondContact O-CB 3.47Å; M190-F193 PolarHBondContact O-N 2.91Å; M190-F193 VanDerWaalsContact O-N 3.13Å; M190-I194 HydrophobicContact CG-CD1 3.92Å; M190-I194 WeakPolarHBondContact O-CB 3.46Å; M190-I194 WeakPolarHBondContact O-CD1 3.2Å; M190-I194 WeakPolarHBondContact O-CG1 3.44Å; M190-I194 PolarHBondContact O-N 3.46Å; M190-Y218 HydrophobicContact CE-CE2 4.38Å; M190-Y218 HydrophobicContact CG-CD2 4.06Å; M190-Y218 HydrophobicContact CG-CE2 3.24Å; M190-Y218 HydrophobicContact SD-CD2 4.12Å; M190-Y218 HydrophobicContact SD-CE2 3.8Å; M190-F227 HydrophobicContact CE-CE1 4.28Å; M190-F227 HydrophobicContact CE-CZ 3.98Å; M190-F227 HydrophobicContact SD-CE1 3.66Å; M190-F227 HydrophobicContact SD-CZ 3.36Å; M190-F227 WeakPolarHBondContact SD-CZ 3.48Å
191	L	45.8	Very low	45.3	Very low	22 Å²	22	67.2 Å²	67.2	12%	0.115	34%	0.337	C	S	.	.	H	α-helix	trans	-57.4	-49.6	171.5	-83	151.4	0	0	0	110.1	M143 N187 V188 F193 I194 L195	M143-L191 HydrophobicContact CE-CD1 4.38Å; M143-L191 HydrophobicContact CE-CD2 4.36Å; N187-L191 VanDerWaalsContact O-CB 3.24Å; N187-L191 WeakPolarHBondContact O-CB 2.75Å; N187-L191 VanDerWaalsContact O-CD1 3.26Å; N187-L191 WeakPolarHBondContact O-CD1 3.31Å; N187-L191 WeakPolarHBondContact O-CG 3.01Å; N187-L191 PolarHBondContact O-N 2.65Å; V188-L191 HydrophobicContact CG2-CD1 3.98Å; V188-L191 PolarHBondContact O-N 2.81Å; L191-F193 PolarHBondContact O-N 3.07Å; L191-I194 WeakPolarHBondContact O-CB 3.11Å; L191-I194 PolarHBondContact O-N 2.66Å; L191-L195 WeakPolarHBondContact O-CB 3.09Å; L191-L195 WeakPolarHBondContact O-CG 3.42Å; L191-L195 PolarHBondContact O-N 3.42Å
192	K	48	Very low	46.2	Very low	60 Å²	60	71.6 Å²	71.6	26%	0.261	36%	0.36	S	S	.	.	H	α-helix	trans	-54.4	-38.5	176.5	-75.3	175.4	-178.1	-178.2	0	111.9	V173 V188 T189 M190 R196	V173-K192 PolarHBondContact O-NZ 3.17Å; V188-K192 HydrophobicContact CG1-CD 4.48Å; V188-K192 WeakPolarHBondContact O-CB 3.43Å; V188-K192 VanDerWaalsContact O-CG 3.26Å; V188-K192 WeakPolarHBondContact O-CG 3.12Å; V188-K192 PolarHBondContact O-N 3.4Å; T189-K192 PolarHBondContact O-N 3.36Å; M190-K192 PolarHBondContact O-N 3.46Å; K192-R196 VanDerWaalsContact O-CG 3.3Å; K192-R196 WeakPolarHBondContact O-CG 3.27Å; K192-R196 PolarHBondContact O-N 3.05Å
193	F	49.9	Very low	47.4	Very low	82 Å²	82	70.9 Å²	70.9	36%	0.36	35%	0.348	S	S	.	.	H	α-helix	trans	-72.5	-47.8	177.9	-166.9	-95.4	0	0	0	112.5	T189 M190 L191 L195 R196 N197 F227	T189-F193 PolarHBondContact O-N 3.27Å; M190-F193 WeakPolarHBondContact O-CB 3.47Å; M190-F193 PolarHBondContact O-N 2.91Å; M190-F193 VanDerWaalsContact O-N 3.13Å; L191-F193 PolarHBondContact O-N 3.07Å; F193-L195 VanDerWaalsContact C-N 3.25Å; F193-L195 PolarHBondContact O-N 3.06Å; F193-R196 PolarHBondContact O-N 3.3Å; F193-N197 VanDerWaalsContact CD1-ND2 3.3Å; F193-N197 WeakPolarHBondContact CD1-ND2 3.49Å; F193-N197 WeakPolarHBondContact CE1-ND2 3.26Å; F193-N197 WeakPolarHBondContact CZ-ND2 3.38Å; F193-N197 PolarHBondContact O-N 2.93Å; F193-F227 AromaticContact CD1-CD1 3.84Å; F193-F227 HydrophobicContact CD1-CD1 3.84Å; F193-F227 AromaticContact CD1-CE1 3.5Å; F193-F227 HydrophobicContact CD1-CE1 3.5Å; F193-F227 VanDerWaalsContact CD1-CE1 3.5Å; F193-F227 HydrophobicContact CD1-CZ 4.46Å; F193-F227 AromaticContact CE1-CD1 3.31Å; F193-F227 HydrophobicContact CE1-CD1 3.31Å; F193-F227 AromaticContact CE1-CE1 3.51Å; F193-F227 HydrophobicContact CE1-CE1 3.51Å; F193-F227 HydrophobicContact CE1-CG 4.33Å; F193-F227 HydrophobicContact CZ-CD1 4.14Å
194	I	49.1	Very low	48	Very low	16 Å²	16	72 Å²	72	8%	0.082	34%	0.344	C	S	.	.	H	α-helix	trans	-50.8	-46.6	171.3	-72.6	164.3	0	0	0	110.5	M190 L191 N197 R198 I206 Y218 I226	M190-I194 HydrophobicContact CG-CD1 3.92Å; M190-I194 WeakPolarHBondContact O-CB 3.46Å; M190-I194 WeakPolarHBondContact O-CD1 3.2Å; M190-I194 WeakPolarHBondContact O-CG1 3.44Å; M190-I194 PolarHBondContact O-N 3.46Å; L191-I194 WeakPolarHBondContact O-CB 3.11Å; L191-I194 PolarHBondContact O-N 2.66Å; I194-N197 PolarHBondContact O-N 3.23Å; I194-R198 VanDerWaalsContact O-CB 3.29Å; I194-R198 WeakPolarHBondContact O-CB 3.36Å; I194-R198 PolarHBondContact O-N 2.98Å; I194-I206 HydrophobicContact CB-CD1 4.35Å; I194-I206 HydrophobicContact CG2-CB 4.38Å; I194-I206 HydrophobicContact CG2-CD1 3.37Å; I194-I206 HydrophobicContact CG2-CG1 4.44Å; I194-I206 HydrophobicContact CG2-CG2 4.22Å; I194-I206 WeakPolarHBondContact O-CD1 3.25Å; I194-Y218 HydrophobicContact CD1-CD1 3.55Å; I194-Y218 HydrophobicContact CD1-CD2 3.9Å; I194-Y218 HydrophobicContact CD1-CE1 3.38Å; I194-Y218 HydrophobicContact CD1-CE2 3.78Å; I194-Y218 HydrophobicContact CD1-CG 3.8Å; I194-Y218 VanDerWaalsContact CD1-CZ 3.5Å; I194-Y218 HydrophobicContact CG1-CD1 4.22Å; I194-Y218 HydrophobicContact CG1-CD2 4.25Å; I194-Y218 HydrophobicContact CG1-CE1 4.49Å; I194-Y218 HydrophobicContact CG1-CG 4.08Å; I194-I226 HydrophobicContact CB-CD1 4.14Å; I194-I226 HydrophobicContact CG1-CD1 3.44Å; I194-I226 VanDerWaalsContact CG1-CD1 3.44Å
195	L	50.9	Low	48.2	Very low	22 Å²	22	75 Å²	75	12%	0.115	36%	0.355	C	S	.	.	H	α-helix	trans	-68.7	-42.5	-179.5	-66.1	-175.4	0	0	0	113.1	Q130 I145 L191 F193 N197 R198 M199	Q130-L195 VanDerWaalsContact OE1-CD2 3.25Å; I145-L195 HydrophobicContact CD1-CD1 3.83Å; L191-L195 WeakPolarHBondContact O-CB 3.09Å; L191-L195 WeakPolarHBondContact O-CG 3.42Å; L191-L195 PolarHBondContact O-N 3.42Å; F193-L195 VanDerWaalsContact C-N 3.25Å; F193-L195 PolarHBondContact O-N 3.06Å; L195-N197 VanDerWaalsContact C-N 3.33Å; L195-N197 PolarHBondContact O-N 3.47Å; L195-R198 PolarHBondContact O-N 3.29Å; L195-M199 WeakPolarHBondContact O-CG 3.45Å; L195-M199 PolarHBondContact O-N 2.84Å
196	R	57.3	Low	48.5	Very low	159 Å²	159	76.1 Å²	76.1	60%	0.6	36%	0.362	S	S	*	.	H	α-helix	trans	-59.2	-44.6	173.5	-78.7	174.2	-179.5	171.9	0.9	111.7	K192 F193 M199 K200	K192-R196 VanDerWaalsContact O-CG 3.3Å; K192-R196 WeakPolarHBondContact O-CG 3.27Å; K192-R196 PolarHBondContact O-N 3.05Å; F193-R196 PolarHBondContact O-N 3.3Å; R196-M199 PolarHBondContact O-N 3.35Å; R196-K200 WeakPolarHBondContact O-CG 3.41Å; R196-K200 PolarHBondContact O-N 3.12Å
197	N	52.7	Low	48.9	Very low	19 Å²	19	70.7 Å²	70.7	10%	0.102	34%	0.335	C	S	.	.	H	α-helix	trans	-72.5	-36.8	-179.8	-69.2	-25.5	0	0	0	112	F193 I194 L195 M199 K200 E201 M203 I226	F193-N197 VanDerWaalsContact CD1-ND2 3.3Å; F193-N197 WeakPolarHBondContact CD1-ND2 3.49Å; F193-N197 WeakPolarHBondContact CE1-ND2 3.26Å; F193-N197 WeakPolarHBondContact CZ-ND2 3.38Å; F193-N197 PolarHBondContact O-N 2.93Å; I194-N197 PolarHBondContact O-N 3.23Å; L195-N197 VanDerWaalsContact C-N 3.33Å; L195-N197 PolarHBondContact O-N 3.47Å; N197-M199 VanDerWaalsContact C-N 3.29Å; N197-M199 PolarHBondContact O-N 3.14Å; N197-K200 PolarHBondContact O-N 2.87Å; N197-E201 WeakPolarHBondContact O-CB 3.18Å; N197-E201 PolarHBondContact O-N 2.98Å; N197-M203 VanDerWaalsContact C-CE 3.46Å; N197-M203 HydrophobicContact CB-CE 4.07Å; N197-M203 WeakPolarHBondContact O-CE 3.26Å; N197-I226 HydrophobicContact CB-CB 4.5Å; N197-I226 PolarHBondContact ND2-O 3.03Å
198	R	52	Low	49	Very low	72 Å²	72	74.2 Å²	74.2	27%	0.272	35%	0.352	S	S	.	.	H	α-helix	trans	-55.8	-44.3	171.9	-161.2	-177.9	176.9	-164.9	-2.3	112.3	I194 L195 N202 M203 D204 I206	I194-R198 VanDerWaalsContact O-CB 3.29Å; I194-R198 WeakPolarHBondContact O-CB 3.36Å; I194-R198 PolarHBondContact O-N 2.98Å; L195-R198 PolarHBondContact O-N 3.29Å; R198-N202 WeakPolarHBondContact O-CA 3.29Å; R198-N202 PolarHBondContact O-N 3.46Å; R198-N202 VanDerWaalsContact O-N 3.1Å; R198-M203 HydrophobicContact CG-CB 4.11Å; R198-M203 WeakPolarHBondContact CG-O 3.46Å; R198-M203 PolarHBondContact NE-O 3.27Å; R198-M203 PolarHBondContact O-N 3.41Å; R198-M203 VanDerWaalsContact O-N 3.12Å; R198-D204 PolarHBondContact NH2-O 3.3Å; R198-I206 HydrophobicContact CB-CD1 3.84Å; R198-I206 HydrophobicContact CG-CD1 4.12Å
199	M	54.2	Low	49.1	Very low	108 Å²	108	73.6 Å²	73.6	53%	0.532	35%	0.348	S	S	.	.	H	α-helix	trans	-69	-38.3	177.4	-73	-171.4	-71.3	0	0	112.8	L195 R196 N197	L195-M199 WeakPolarHBondContact O-CG 3.45Å; L195-M199 PolarHBondContact O-N 2.84Å; R196-M199 PolarHBondContact O-N 3.35Å; N197-M199 VanDerWaalsContact C-N 3.29Å; N197-M199 PolarHBondContact O-N 3.14Å
200	K	59.9	Low	49.2	Very low	159 Å²	159	71.6 Å²	71.6	69%	0.691	33%	0.331	S	S	*	.	H	α-helix	trans	-69.1	-41.5	178.6	-77.4	179.9	175	-173.9	0	113	R196 N197	R196-K200 WeakPolarHBondContact O-CG 3.41Å; R196-K200 PolarHBondContact O-N 3.12Å; N197-K200 PolarHBondContact O-N 2.87Å
201	E	58.2	Low	48.9	Very low	119 Å²	119	69.1 Å²	69.1	56%	0.556	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	6.3	-171.1	-64.1	-75.8	155.5	0	0	113.2	N197 M203	N197-E201 WeakPolarHBondContact O-CB 3.18Å; N197-E201 PolarHBondContact O-N 2.98Å; E201-M203 VanDerWaalsContact C-N 3.26Å; E201-M203 HydrophobicContact CB-CE 3.96Å; E201-M203 HydrophobicContact CB-CG 3.71Å; E201-M203 HydrophobicContact CB-SD 4.06Å; E201-M203 HydrophobicContact CG-CE 4.38Å; E201-M203 PolarHBondContact O-N 3.07Å
202	N	56.6	Low	48.4	Very low	143 Å²	143	72.1 Å²	72.1	77%	0.765	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	42.5	-178.8	-150.6	25.4	0	0	0	113.1	R198	R198-N202 WeakPolarHBondContact O-CA 3.29Å; R198-N202 PolarHBondContact O-N 3.46Å; R198-N202 VanDerWaalsContact O-N 3.1Å
203	M	53.1	Low	47.8	Very low	20 Å²	20	76.5 Å²	76.5	10%	0.099	37%	0.365	C	S	.	.			trans	-84.4	122.5	-173.8	-66.5	-177.1	-69.3	0	0	111.8	N197 R198 E201 K205 I206 D220 I226	N197-M203 VanDerWaalsContact C-CE 3.46Å; N197-M203 HydrophobicContact CB-CE 4.07Å; N197-M203 WeakPolarHBondContact O-CE 3.26Å; R198-M203 HydrophobicContact CG-CB 4.11Å; R198-M203 WeakPolarHBondContact CG-O 3.46Å; R198-M203 PolarHBondContact NE-O 3.27Å; R198-M203 PolarHBondContact O-N 3.41Å; R198-M203 VanDerWaalsContact O-N 3.12Å; E201-M203 VanDerWaalsContact C-N 3.26Å; E201-M203 HydrophobicContact CB-CE 3.96Å; E201-M203 HydrophobicContact CB-CG 3.71Å; E201-M203 HydrophobicContact CB-SD 4.06Å; E201-M203 HydrophobicContact CG-CE 4.38Å; E201-M203 PolarHBondContact O-N 3.07Å; M203-K205 VanDerWaalsContact C-N 3.33Å; M203-K205 PolarHBondContact O-N 2.78Å; M203-I206 HydrophobicContact CE-CD1 4.11Å; M203-I206 HydrophobicContact CE-CG1 4.39Å; M203-D220 HydrophobicContact CG-CB 4.37Å; M203-D220 HydrophobicContact SD-CB 3.4Å; M203-D220 WeakPolarHBondContact SD-CB 3.5Å; M203-I226 HydrophobicContact CE-CG2 3.89Å; M203-I226 HydrophobicContact SD-CG2 4.22Å
204	D	45.4	Very low	47.3	Very low	96 Å²	96	76 Å²	76	51%	0.513	37%	0.371	S	S	.	.	S	Bend	trans	-69.2	-32.5	178.8	-55.9	-55.2	0	0	0	112.7	R198 K221	R198-D204 PolarHBondContact NH2-O 3.3Å; D204-K221 IonicContact OD2-NZ 3.21Å; D204-K221 PolarHBondContact OD2-NZ 2.81Å
205	K	43.2	Very low	46.8	Very low	95 Å²	95	76.5 Å²	76.5	41%	0.413	38%	0.381	S	S	.	.			trans	-148.5	145.4	-171.7	-64.9	179.6	-177.7	168.1	0	111.1	M203 Y207	M203-K205 VanDerWaalsContact C-N 3.33Å; M203-K205 PolarHBondContact O-N 2.78Å; K205-Y207 HydrophobicContact CB-CE2 3.99Å
206	I	44.4	Very low	46.4	Very low	40 Å²	40	79.5 Å²	79.5	21%	0.205	40%	0.396	C	S	.	.			trans	-127.2	137.3	175.4	-63.8	172.7	0	0	0	107.3	I194 R198 M203 Y218 I219 I226	I194-I206 HydrophobicContact CB-CD1 4.35Å; I194-I206 HydrophobicContact CG2-CB 4.38Å; I194-I206 HydrophobicContact CG2-CD1 3.37Å; I194-I206 HydrophobicContact CG2-CG1 4.44Å; I194-I206 HydrophobicContact CG2-CG2 4.22Å; I194-I206 WeakPolarHBondContact O-CD1 3.25Å; R198-I206 HydrophobicContact CB-CD1 3.84Å; R198-I206 HydrophobicContact CG-CD1 4.12Å; M203-I206 HydrophobicContact CE-CD1 4.11Å; M203-I206 HydrophobicContact CE-CG1 4.39Å; I206-Y218 HydrophobicContact CG2-CD1 4.07Å; I206-Y218 HydrophobicContact CG2-CG 4.36Å; I206-I219 CarbonylContact C-O 3.54Å; I206-I219 WeakPolarHBondContact CA-O 3.2Å; I206-I226 HydrophobicContact CG1-CG2 4.47Å; I206-I226 HydrophobicContact CG2-CD1 4.19Å; I206-I226 HydrophobicContact CG2-CG2 4.24Å
207	Y	42.4	Very low	45.8	Very low	52 Å²	52	72.3 Å²	72.3	20%	0.204	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.8	-177.5	-53.6	-97	0	0	0	108.8	F91 K205 Y218 I219 D220 K221	F91-Y207 HydrophobicContact CB-CD1 4.41Å; F91-Y207 HydrophobicContact CB-CE1 3.6Å; F91-Y207 HydrophobicContact CD2-CE1 4.37Å; F91-Y207 HydrophobicContact CG-CD1 4.37Å; F91-Y207 AromaticContact CG-CE1 3.99Å; F91-Y207 HydrophobicContact CG-CE1 3.99Å; K205-Y207 HydrophobicContact CB-CE2 3.99Å; Y207-Y218 CarbonylContact O-C 3.47Å; Y207-Y218 WeakPolarHBondContact O-CA 3.26Å; Y207-I219 PolarHBondContact N-O 3.1Å; Y207-I219 PolarHBondContact O-N 3.44Å; Y207-D220 VanDerWaalsContact CD2-O 3.28Å; Y207-D220 WeakPolarHBondContact CD2-O 3.24Å; Y207-K221 VanDerWaalsContact CE2-CA 3.46Å; Y207-K221 HydrophobicContact CE2-CB 4.01Å
208	M	42.6	Very low	45.8	Very low	96 Å²	96	72.5 Å²	72.5	47%	0.473	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.9	174.9	-173.5	-177.8	73.7	0	0	108.7	I53 I216 F217 Y218	I53-M208 WeakPolarHBondContact CD1-O 3.46Å; M208-I216 HydrophobicContact CG-CG2 3.48Å; M208-I216 VanDerWaalsContact CG-CG2 3.48Å; M208-I216 HydrophobicContact SD-CG2 3.76Å; M208-F217 CarbonylContact C-O 3.46Å; M208-Y218 HydrophobicContact CB-CD1 4.24Å; M208-Y218 HydrophobicContact CB-CE1 4.17Å; M208-Y218 HydrophobicContact CG-CD1 4.5Å; M208-Y218 HydrophobicContact CG-CE1 4.17Å
209	A	40.7	Very low	45.8	Very low	2 Å²	2	69.2 Å²	69.2	2%	0.017	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	158	176.6	0	0	0	0	0	109.7	I216 F217 I219	A209-I216 CarbonylContact O-C 3.52Å; A209-I216 WeakPolarHBondContact O-CA 3.39Å; A209-F217 HydrophobicContact CB-CD1 4.13Å; A209-F217 HydrophobicContact CB-CD2 4Å; A209-F217 HydrophobicContact CB-CE1 3.65Å; A209-F217 HydrophobicContact CB-CE2 3.54Å; A209-F217 HydrophobicContact CB-CG 4.28Å; A209-F217 HydrophobicContact CB-CZ 3.33Å; A209-F217 PolarHBondContact N-O 3.49Å; A209-F217 PolarHBondContact O-N 3.45Å; A209-I219 HydrophobicContact CB-CD1 4.14Å; A209-I219 HydrophobicContact CB-CG2 4.1Å
210	H	41.6	Very low	45.6	Very low	66 Å²	66	65.1 Å²	65.1	31%	0.306	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.1	176.3	-179.5	-86.7	0	0	0	108.8	G215 F217	H210-G215 CarbonylContact C-O 3.37Å; H210-F217 VanDerWaalsContact C-CE1 3.5Å
211	S	39.1	Very low	45	Very low	4 Å²	4	62.7 Å²	62.7	3%	0.028	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.3	175.2	169.7	0	0	0	0	107.5	I213 S214 G215 F217	S211-I213 PolarHBondContact O-N 2.92Å; S211-I213 VanDerWaalsContact O-N 3.15Å; S211-I213 PolarHBondContact OG-N 3.32Å; S211-I213 VanDerWaalsContact OG-N 3.16Å; S211-S214 PolarHBondContact OG-N 3.03Å; S211-S214 VanDerWaalsContact OG-N 3.16Å; S211-G215 PolarHBondContact N-O 3.41Å; S211-G215 WeakPolarHBondContact O-CA 3.1Å; S211-G215 PolarHBondContact O-N 3.15Å; S211-F217 VanDerWaalsContact CB-CE1 3.47Å
212	P	34.5	Very low	44.4	Very low	84 Å²	84	61 Å²	61	55%	0.545	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23	171.1	-21.8	32.4	0	0	0	113.4
213	I	36.6	Very low	43.8	Very low	153 Å²	153	54.6 Å²	54.6	79%	0.785	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-45.1	-176.1	-57.2	173.1	0	0	0	110.5	S211	S211-I213 PolarHBondContact O-N 2.92Å; S211-I213 VanDerWaalsContact O-N 3.15Å; S211-I213 PolarHBondContact OG-N 3.32Å; S211-I213 VanDerWaalsContact OG-N 3.16Å
214	S	39.6	Very low	43.8	Very low	70 Å²	70	59.6 Å²	59.6	49%	0.49	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-1.5	-169.6	-46.6	0	0	0	0	113.8	S211	S211-S214 PolarHBondContact OG-N 3.03Å; S211-S214 VanDerWaalsContact OG-N 3.16Å
215	G	38.1	Very low	44.3	Very low	28 Å²	28	55.5 Å²	55.5	29%	0.289	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67.9	-147.2	-173.4	0	0	0	0	0	112.2	H210 S211	H210-G215 CarbonylContact C-O 3.37Å; S211-G215 PolarHBondContact N-O 3.41Å; S211-G215 WeakPolarHBondContact O-CA 3.1Å; S211-G215 PolarHBondContact O-N 3.15Å
216	I	42.7	Very low	45	Very low	84 Å²	84	51.7 Å²	51.7	43%	0.431	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.4	178.7	-60.1	172.8	0	0	0	109.8	M208 A209 Y218	M208-I216 HydrophobicContact CG-CG2 3.48Å; M208-I216 VanDerWaalsContact CG-CG2 3.48Å; M208-I216 HydrophobicContact SD-CG2 3.76Å; A209-I216 CarbonylContact O-C 3.52Å; A209-I216 WeakPolarHBondContact O-CA 3.39Å; I216-Y218 HydrophobicContact CG2-CE2 4.49Å
217	F	45.3	Very low	45.7	Very low	8 Å²	8	51.8 Å²	51.8	4%	0.035	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	-179.4	172.7	66.8	-78.3	0	0	0	110.4	M208 A209 H210 S211 I219 F227 Y235	M208-F217 CarbonylContact C-O 3.46Å; A209-F217 HydrophobicContact CB-CD1 4.13Å; A209-F217 HydrophobicContact CB-CD2 4Å; A209-F217 HydrophobicContact CB-CE1 3.65Å; A209-F217 HydrophobicContact CB-CE2 3.54Å; A209-F217 HydrophobicContact CB-CG 4.28Å; A209-F217 HydrophobicContact CB-CZ 3.33Å; A209-F217 PolarHBondContact N-O 3.49Å; A209-F217 PolarHBondContact O-N 3.45Å; H210-F217 VanDerWaalsContact C-CE1 3.5Å; S211-F217 VanDerWaalsContact CB-CE1 3.47Å; F217-I219 HydrophobicContact CD2-CG2 3.78Å; F217-I219 HydrophobicContact CE2-CG2 3.42Å; F217-I219 VanDerWaalsContact CE2-CG2 3.42Å; F217-I219 HydrophobicContact CZ-CG2 4.49Å; F217-F227 HydrophobicContact CB-CD2 4.01Å; F217-F227 HydrophobicContact CB-CE2 3.84Å; F217-Y235 AromaticContact CE2-CE1 3.95Å; F217-Y235 HydrophobicContact CE2-CE1 3.95Å; F217-Y235 AromaticContact CE2-CZ 3.95Å; F217-Y235 WeakPolarHBondContact CE2-OH 3.2Å; F217-Y235 HydrophobicContact CZ-CD1 4.41Å; F217-Y235 AromaticContact CZ-CE1 3.53Å; F217-Y235 HydrophobicContact CZ-CE1 3.53Å
218	Y	52.6	Low	46	Very low	23 Å²	23	58.4 Å²	58.4	9%	0.09	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140	-171	-64.5	-95.2	0	0	0	109	N187 M190 I194 I206 Y207 M208 I216 S225 I226 F227	N187-Y218 PolarHBondContact OD1-OH 3.41Å; M190-Y218 HydrophobicContact CE-CE2 4.38Å; M190-Y218 HydrophobicContact CG-CD2 4.06Å; M190-Y218 HydrophobicContact CG-CE2 3.24Å; M190-Y218 HydrophobicContact SD-CD2 4.12Å; M190-Y218 HydrophobicContact SD-CE2 3.8Å; I194-Y218 HydrophobicContact CD1-CD1 3.55Å; I194-Y218 HydrophobicContact CD1-CD2 3.9Å; I194-Y218 HydrophobicContact CD1-CE1 3.38Å; I194-Y218 HydrophobicContact CD1-CE2 3.78Å; I194-Y218 HydrophobicContact CD1-CG 3.8Å; I194-Y218 VanDerWaalsContact CD1-CZ 3.5Å; I194-Y218 HydrophobicContact CG1-CD1 4.22Å; I194-Y218 HydrophobicContact CG1-CD2 4.25Å; I194-Y218 HydrophobicContact CG1-CE1 4.49Å; I194-Y218 HydrophobicContact CG1-CG 4.08Å; I206-Y218 HydrophobicContact CG2-CD1 4.07Å; I206-Y218 HydrophobicContact CG2-CG 4.36Å; Y207-Y218 CarbonylContact O-C 3.47Å; Y207-Y218 WeakPolarHBondContact O-CA 3.26Å; M208-Y218 HydrophobicContact CB-CD1 4.24Å; M208-Y218 HydrophobicContact CB-CE1 4.17Å; M208-Y218 HydrophobicContact CG-CD1 4.5Å; M208-Y218 HydrophobicContact CG-CE1 4.17Å; I216-Y218 HydrophobicContact CG2-CE2 4.49Å; Y218-S225 WeakPolarHBondContact O-CA 3.08Å; Y218-I226 HydrophobicContact CG-CD1 4.11Å; Y218-I226 WeakPolarHBondContact O-CG1 3.44Å; Y218-I226 PolarHBondContact O-N 3.06Å; Y218-F227 AromaticContact CD2-CE2 3.78Å; Y218-F227 HydrophobicContact CD2-CE2 3.78Å; Y218-F227 AromaticContact CD2-CZ 3.72Å; Y218-F227 HydrophobicContact CD2-CZ 3.72Å; Y218-F227 HydrophobicContact CE2-CZ 4.48Å; Y218-F227 HydrophobicContact CG-CE2 4.46Å
219	I	50.2	Low	46.1	Very low	4 Å²	4	62.9 Å²	62.9	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.3	-174.8	64.8	-175.8	0	0	0	110.1	I206 Y207 A209 F217 K224 Y235	I206-I219 CarbonylContact C-O 3.54Å; I206-I219 WeakPolarHBondContact CA-O 3.2Å; Y207-I219 PolarHBondContact N-O 3.1Å; Y207-I219 PolarHBondContact O-N 3.44Å; A209-I219 HydrophobicContact CB-CD1 4.14Å; A209-I219 HydrophobicContact CB-CG2 4.1Å; F217-I219 HydrophobicContact CD2-CG2 3.78Å; F217-I219 HydrophobicContact CE2-CG2 3.42Å; F217-I219 VanDerWaalsContact CE2-CG2 3.42Å; F217-I219 HydrophobicContact CZ-CG2 4.49Å; I219-K224 CarbonylContact C-O 3.57Å; I219-K224 WeakPolarHBondContact CA-O 3.05Å; I219-Y235 HydrophobicContact CD1-CD2 4.22Å; I219-Y235 HydrophobicContact CD1-CE2 4.06Å; I219-Y235 HydrophobicContact CG2-CE2 4.27Å
220	D	51.5	Low	46.1	Very low	22 Å²	22	63.9 Å²	63.9	12%	0.118	34%	0.335	C	S	.	.			trans	-80.5	-173.4	173.7	74.4	4.5	0	0	0	112.3	M203 Y207 V222 G223 K224	M203-D220 HydrophobicContact CG-CB 4.37Å; M203-D220 HydrophobicContact SD-CB 3.4Å; M203-D220 WeakPolarHBondContact SD-CB 3.5Å; Y207-D220 VanDerWaalsContact CD2-O 3.28Å; Y207-D220 WeakPolarHBondContact CD2-O 3.24Å; D220-V222 VanDerWaalsContact CG-CG2 3.5Å; D220-V222 PolarHBondContact O-N 2.11Å; D220-V222 VanDerWaalsContact OD1-C 3.3Å; D220-V222 WeakPolarHBondContact OD1-CA 3.03Å; D220-V222 WeakPolarHBondContact OD1-CG2 3.44Å; D220-V222 PolarHBondContact OD1-N 3.32Å; D220-V222 VanDerWaalsContact OD2-CG2 3.28Å; D220-V222 WeakPolarHBondContact OD2-CG2 3.43Å; D220-G223 PolarHBondContact O-N 3.34Å; D220-G223 PolarHBondContact OD1-N 3.48Å; D220-K224 PolarHBondContact N-O 2.86Å; D220-K224 WeakPolarHBondContact OD1-CB 3.44Å; D220-K224 PolarHBondContact OD1-N 3.09Å; D220-K224 WeakPolarHBondContact OD2-CB 3.29Å
221	K	46.1	Very low	45.9	Very low	108 Å²	108	70 Å²	70	47%	0.47	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.5	177.8	66.9	-177.4	172.9	-171.6	0	115.6	D204 Y207	D204-K221 IonicContact OD2-NZ 3.21Å; D204-K221 PolarHBondContact OD2-NZ 2.81Å; Y207-K221 VanDerWaalsContact CE2-CA 3.46Å; Y207-K221 HydrophobicContact CE2-CB 4.01Å
222	V	46.1	Very low	45.9	Very low	83 Å²	83	72 Å²	72	50%	0.503	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	6.9	174.7	-61.4	0	0	0	0	112.3	D220 K224	D220-V222 VanDerWaalsContact CG-CG2 3.5Å; D220-V222 PolarHBondContact O-N 2.11Å; D220-V222 VanDerWaalsContact OD1-C 3.3Å; D220-V222 WeakPolarHBondContact OD1-CA 3.03Å; D220-V222 WeakPolarHBondContact OD1-CG2 3.44Å; D220-V222 PolarHBondContact OD1-N 3.32Å; D220-V222 VanDerWaalsContact OD2-CG2 3.28Å; D220-V222 WeakPolarHBondContact OD2-CG2 3.43Å; V222-K224 VanDerWaalsContact C-N 3.32Å; V222-K224 HydrophobicContact CG2-CB 4.19Å
223	G	44.2	Very low	46.2	Very low	9 Å²	9	71.8 Å²	71.8	9%	0.093	37%	0.37	C	S	.	.	S	Bend	trans	80.2	7.8	179.7	0	0	0	0	0	114.6	D220 S225 Y235	D220-G223 PolarHBondContact O-N 3.34Å; D220-G223 PolarHBondContact OD1-N 3.48Å; G223-S225 PolarHBondContact O-N 3.4Å; G223-Y235 VanDerWaalsContact O-CE2 3.25Å; G223-Y235 WeakPolarHBondContact O-CE2 3.43Å; G223-Y235 PolarHBondContact O-OH 3.42Å
224	K	53.1	Low	46.4	Very low	124 Å²	124	64.5 Å²	64.5	54%	0.539	33%	0.333	S	S	.	.			trans	-72.2	128.8	174.9	-173.8	-173.8	174.7	-169.3	0	108.5	I219 D220 V222 I226	I219-K224 CarbonylContact C-O 3.57Å; I219-K224 WeakPolarHBondContact CA-O 3.05Å; D220-K224 PolarHBondContact N-O 2.86Å; D220-K224 WeakPolarHBondContact OD1-CB 3.44Å; D220-K224 PolarHBondContact OD1-N 3.09Å; D220-K224 WeakPolarHBondContact OD2-CB 3.29Å; V222-K224 VanDerWaalsContact C-N 3.32Å; V222-K224 HydrophobicContact CG2-CB 4.19Å; K224-I226 PolarHBondContact O-N 3.15Å
225	S	55.7	Low	46.4	Very low	11 Å²	11	61.6 Å²	61.6	8%	0.077	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-56.5	137.1	173.9	-177.3	0	0	0	0	110.5	Y218 G223 F227 A230	Y218-S225 WeakPolarHBondContact O-CA 3.08Å; G223-S225 PolarHBondContact O-N 3.4Å; S225-F227 PolarHBondContact O-N 3.17Å; S225-F227 PolarHBondContact OG-N 3.13Å; S225-F227 PolarHBondContact OG-O 3.02Å; S225-A230 VanDerWaalsContact CB-O 3.27Å; S225-A230 WeakPolarHBondContact CB-O 3.33Å; S225-A230 WeakPolarHBondContact OG-CB 3.21Å
226	I	57.8	Low	46.6	Very low	14 Å²	14	63 Å²	63	7%	0.072	31%	0.308	C	S	.	.	S	Bend	trans	-77.7	-6	171	72.3	172	0	0	0	112	I194 N197 M203 I206 Y218 K224	I194-I226 HydrophobicContact CB-CD1 4.14Å; I194-I226 HydrophobicContact CG1-CD1 3.44Å; I194-I226 VanDerWaalsContact CG1-CD1 3.44Å; N197-I226 HydrophobicContact CB-CB 4.5Å; N197-I226 PolarHBondContact ND2-O 3.03Å; M203-I226 HydrophobicContact CE-CG2 3.89Å; M203-I226 HydrophobicContact SD-CG2 4.22Å; I206-I226 HydrophobicContact CG1-CG2 4.47Å; I206-I226 HydrophobicContact CG2-CD1 4.19Å; I206-I226 HydrophobicContact CG2-CG2 4.24Å; Y218-I226 HydrophobicContact CG-CD1 4.11Å; Y218-I226 WeakPolarHBondContact O-CG1 3.44Å; Y218-I226 PolarHBondContact O-N 3.06Å; K224-I226 PolarHBondContact O-N 3.15Å
227	F	58.5	Low	46.7	Very low	43 Å²	43	59.8 Å²	59.8	19%	0.189	29%	0.292	C	S	.	.	S	Bend	trans	-95.9	125.8	172.3	-53.8	-79	0	0	0	108.5	M190 F193 F217 Y218 S225 E229 A230	M190-F227 HydrophobicContact CE-CE1 4.28Å; M190-F227 HydrophobicContact CE-CZ 3.98Å; M190-F227 HydrophobicContact SD-CE1 3.66Å; M190-F227 HydrophobicContact SD-CZ 3.36Å; M190-F227 WeakPolarHBondContact SD-CZ 3.48Å; F193-F227 AromaticContact CD1-CD1 3.84Å; F193-F227 HydrophobicContact CD1-CD1 3.84Å; F193-F227 AromaticContact CD1-CE1 3.5Å; F193-F227 HydrophobicContact CD1-CE1 3.5Å; F193-F227 VanDerWaalsContact CD1-CE1 3.5Å; F193-F227 HydrophobicContact CD1-CZ 4.46Å; F193-F227 AromaticContact CE1-CD1 3.31Å; F193-F227 HydrophobicContact CE1-CD1 3.31Å; F193-F227 AromaticContact CE1-CE1 3.51Å; F193-F227 HydrophobicContact CE1-CE1 3.51Å; F193-F227 HydrophobicContact CE1-CG 4.33Å; F193-F227 HydrophobicContact CZ-CD1 4.14Å; F217-F227 HydrophobicContact CB-CD2 4.01Å; F217-F227 HydrophobicContact CB-CE2 3.84Å; Y218-F227 AromaticContact CD2-CE2 3.78Å; Y218-F227 HydrophobicContact CD2-CE2 3.78Å; Y218-F227 AromaticContact CD2-CZ 3.72Å; Y218-F227 HydrophobicContact CD2-CZ 3.72Å; Y218-F227 HydrophobicContact CE2-CZ 4.48Å; Y218-F227 HydrophobicContact CG-CE2 4.46Å; S225-F227 PolarHBondContact O-N 3.17Å; S225-F227 PolarHBondContact OG-N 3.13Å; S225-F227 PolarHBondContact OG-O 3.02Å; F227-E229 PolarHBondContact O-N 3.49Å; F227-A230 PolarHBondContact O-N 3.37Å
228	E	49.8	Very low	46.6	Very low	190 Å²	190	59.6 Å²	59.6	89%	0.888	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.6	-179.7	-72.8	176.7	171.4	0	0	113.2
229	E	43.7	Very low	46.2	Very low	191 Å²	191	60.6 Å²	60.6	89%	0.893	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-7.2	-175.5	-68	171.7	168	0	0	114.6	F227	F227-E229 PolarHBondContact O-N 3.49Å
230	A	40.4	Very low	45.9	Very low	22 Å²	22	60.4 Å²	60.4	18%	0.182	30%	0.297	C	S	.	.			trans	-107.1	84.8	-179.5	0	0	0	0	0	111.7	S225 F227 E232	S225-A230 VanDerWaalsContact CB-O 3.27Å; S225-A230 WeakPolarHBondContact CB-O 3.33Å; S225-A230 WeakPolarHBondContact OG-CB 3.21Å; F227-A230 PolarHBondContact O-N 3.37Å; A230-E232 VanDerWaalsContact C-N 3.33Å; A230-E232 PolarHBondContact O-N 2.79Å; A230-E232 VanDerWaalsContact O-N 3.14Å
231	Q	37.9	Very low	45.5	Very low	196 Å²	196	63.2 Å²	63.2	92%	0.916	31%	0.31	S	S	*	.			trans	-77.5	79.8	165.3	-74.5	-170.1	-17.2	0	0	109.9
232	E	39.6	Very low	45.5	Very low	46 Å²	46	58.5 Å²	58.5	22%	0.215	29%	0.289	C	S	.	.			trans	-119.2	113.6	-179.8	-83.3	-170	-156.5	0	0	112.2	H55 A230 G234 Y235	H55-E232 IonicContact CD2-OE2 2.94Å; H55-E232 PolarHBondContact CD2-OE2 2.81Å; H55-E232 WeakPolarHBondContact NE2-CB 2.99Å; A230-E232 VanDerWaalsContact C-N 3.33Å; A230-E232 PolarHBondContact O-N 2.79Å; A230-E232 VanDerWaalsContact O-N 3.14Å; E232-G234 PolarHBondContact O-N 3.2Å; E232-Y235 PolarHBondContact O-OH 3.45Å
233	T	40.3	Very low	45.4	Very low	78 Å²	78	57.2 Å²	57.2	48%	0.479	28%	0.278	S	S	.	.			trans	-92.9	88.1	-179.9	40.3	0	0	0	0	113.1	H55 Q57	H55-T233 VanDerWaalsContact CE1-C 3.49Å; H55-T233 PolarHBondContact CE1-O 2.99Å; H55-T233 VanDerWaalsContact NE2-C 3.33Å; H55-T233 PolarHBondContact NE2-N 3.06Å; H55-T233 PolarHBondContact NE2-O 2.04Å; Q57-T233 PolarHBondContact NE2-OG1 2.77Å; Q57-T233 PolarHBondContact OE1-OG1 3.24Å
234	G	41.2	Very low	45.2	Very low	1 Å²	1	60.6 Å²	60.6	1%	0.01	29%	0.291	C	S	.	.			trans	114.4	142.8	157.3	0	0	0	0	0	115.4	H55 I56 Y86 E232	H55-G234 CarbonylContact C-O 3.51Å; H55-G234 WeakPolarHBondContact CA-O 3.45Å; H55-G234 PolarHBondContact CD2-O 3.05Å; I56-G234 PolarHBondContact N-O 3.5Å; Y86-G234 WeakPolarHBondContact OH-CA 3.3Å; Y86-G234 PolarHBondContact OH-N 3.15Å; E232-G234 PolarHBondContact O-N 3.2Å
235	Y	40.3	Very low	44.7	Very low	8 Å²	8	55 Å²	55	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.8	-178.6	-47.9	-77.7	0	0	0	115.1	I53 M54 I56 F217 I219 G223 E232	I53-Y235 HydrophobicContact CG2-CD1 4.48Å; I53-Y235 HydrophobicContact CG2-CG 4.31Å; M54-Y235 CarbonylContact O-C 3.54Å; M54-Y235 VanDerWaalsContact O-C 3.28Å; M54-Y235 WeakPolarHBondContact O-CA 3.44Å; M54-Y235 WeakPolarHBondContact O-CB 3.38Å; I56-Y235 VanDerWaalsContact CD1-O 3.28Å; I56-Y235 WeakPolarHBondContact CD1-O 3.29Å; F217-Y235 AromaticContact CE2-CE1 3.95Å; F217-Y235 HydrophobicContact CE2-CE1 3.95Å; F217-Y235 AromaticContact CE2-CZ 3.95Å; F217-Y235 WeakPolarHBondContact CE2-OH 3.2Å; F217-Y235 HydrophobicContact CZ-CD1 4.41Å; F217-Y235 AromaticContact CZ-CE1 3.53Å; F217-Y235 HydrophobicContact CZ-CE1 3.53Å; I219-Y235 HydrophobicContact CD1-CD2 4.22Å; I219-Y235 HydrophobicContact CD1-CE2 4.06Å; I219-Y235 HydrophobicContact CG2-CE2 4.27Å; G223-Y235 VanDerWaalsContact O-CE2 3.25Å; G223-Y235 WeakPolarHBondContact O-CE2 3.43Å; G223-Y235 PolarHBondContact O-OH 3.42Å; E232-Y235 PolarHBondContact O-OH 3.45Å
236	R	42.1	Very low	44.2	Very low	59 Å²	59	59.5 Å²	59.5	22%	0.223	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	149.2	167.3	-49.2	178.8	173.3	158.1	6.7	109.4	I53 M54 I56	I53-R236 CarbonylContact C-O 3.46Å; I53-R236 WeakPolarHBondContact CA-O 3.39Å; M54-R236 HydrophobicContact CG-CB 3.66Å; M54-R236 HydrophobicContact CG-CG 4.43Å; M54-R236 WeakPolarHBondContact CG-O 3.45Å; M54-R236 PolarHBondContact N-O 3.28Å; M54-R236 PolarHBondContact O-N 3.26Å; M54-R236 HydrophobicContact SD-CB 4.08Å; I56-R236 HydrophobicContact CG1-CG 3.7Å
237	V	44	Very low	43.6	Very low	15 Å²	15	63 Å²	63	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.4	176.9	-179	0	0	0	0	109.3	L51 A52 I53 I84	L51-V237 HydrophobicContact CD1-CG1 3.39Å; L51-V237 HydrophobicContact CG-CG1 4Å; A52-V237 CarbonylContact O-C 3.54Å; A52-V237 WeakPolarHBondContact O-CA 2.99Å; I53-V237 HydrophobicContact CG1-CG2 4.22Å; I53-V237 HydrophobicContact CG2-CG2 4.43Å; I84-V237 HydrophobicContact CD1-CG2 4.05Å
238	V	43.9	Very low	42.7	Very low	5 Å²	5	63.4 Å²	63.4	3%	0.03	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.4	-179.3	176.2	0	0	0	0	109.5	A52 M54 V64	A52-V238 HydrophobicContact CB-CB 4.22Å; A52-V238 PolarHBondContact N-O 2.8Å; A52-V238 PolarHBondContact O-N 2.81Å; M54-V238 HydrophobicContact CE-CB 4.47Å; M54-V238 HydrophobicContact CE-CG2 3.49Å; M54-V238 VanDerWaalsContact CE-CG2 3.49Å; M54-V238 HydrophobicContact CG-CG2 4.4Å; M54-V238 HydrophobicContact SD-CG2 3.9Å; V64-V238 HydrophobicContact CG1-CB 4.45Å; V64-V238 HydrophobicContact CG1-CG1 3.45Å; V64-V238 VanDerWaalsContact CG1-CG1 3.45Å; V64-V238 HydrophobicContact CG1-CG2 4.1Å
239	L	43.6	Very low	42.4	Very low	43 Å²	43	55 Å²	55	23%	0.225	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.7	171.5	-74.3	157.2	0	0	0	109.3	L51 V78	L51-L239 HydrophobicContact CD1-CD2 4.26Å; V78-L239 PolarHBondContact N-O 3.5Å; V78-L239 VanDerWaalsContact N-O 3.15Å
240	C	44.2	Very low	42.5	Very low	0 Å²	0	52 Å²	52	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.1	178.2	-55.5	0	0	0	0	110.3	C49 S50 C68	C49-C240 VanDerWaalsContact CA-O 3.31Å; C49-C240 WeakPolarHBondContact CA-O 3.44Å; S50-C240 PolarHBondContact N-O 2.89Å; S50-C240 PolarHBondContact O-N 3.28Å; S50-C240 WeakPolarHBondContact OG-CB 3.42Å; C68-C240 WeakPolarHBondContact CA-SG 3.17Å; C68-C240 HydrophobicContact CB-CB 3.76Å; C68-C240 WeakPolarHBondContact CB-SG 3.23Å; C68-C240 WeakPolarHBondContact SG-CB 3.14Å; C68-C240 CovalentContact SG-SG 2.04Å; C68-C240 PolarHBondContact SG-SG 2.77Å
241	E	42.7	Very low	42.7	Very low	82 Å²	82	58.9 Å²	58.9	38%	0.383	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	140.5	172	175.8	178.1	-162.3	0	0	109.2	R76 V78	R76-E241 PolarHBondContact N-O 3.27Å; R76-E241 PolarHBondContact O-N 2.93Å; V78-E241 HydrophobicContact CG2-CB 3.29Å
242	H	46.6	Very low	42.9	Very low	8 Å²	8	55.1 Å²	55.1	4%	0.037	26%	0.257	C	S	.	.			trans	-109.7	98.6	-175.4	-62.8	-71.5	0	0	0	110.5	S50 W72 G75 E244 V245 K246	S50-H242 PolarHBondContact OG-NE2 2.97Å; W72-H242 WeakPolarHBondContact CB-CE1 3.39Å; W72-H242 AromaticContact CD1-CE1 3.52Å; W72-H242 AromaticContact CD1-ND1 3.47Å; W72-H242 AromaticContact CG-CE1 3.35Å; W72-H242 AromaticContact CG-ND1 3.8Å; G75-H242 VanDerWaalsContact CA-ND1 3.3Å; G75-H242 WeakPolarHBondContact CA-ND1 3.42Å; H242-E244 VanDerWaalsContact C-N 3.34Å; H242-E244 PolarHBondContact O-N 2.65Å; H242-V245 HydrophobicContact CB-CB 3.69Å; H242-V245 HydrophobicContact CB-CG2 3.26Å; H242-V245 WeakPolarHBondContact O-CB 3.2Å; H242-V245 PolarHBondContact O-N 3.13Å; H242-V245 VanDerWaalsContact O-N 3.15Å; H242-K246 PolarHBondContact O-N 3.21Å
243	E	43	Very low	42.8	Very low	56 Å²	56	53.9 Å²	53.9	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-68.4	-32.1	-175.8	-166.8	166.9	130.7	0	0	113	R76 V245 K246 K247	R76-E243 VanDerWaalsContact CD-OE2 3.28Å; R76-E243 WeakPolarHBondContact CD-OE2 3.41Å; R76-E243 IonicContact CZ-OE1 3.15Å; R76-E243 IonicContact CZ-OE2 3.38Å; R76-E243 IonicContact NE-OE2 2.74Å; R76-E243 PolarHBondContact NE-OE2 3.39Å; R76-E243 VanDerWaalsContact NE-OE2 3.13Å; R76-E243 VanDerWaalsContact NH1-CD 3.28Å; R76-E243 IonicContact NH1-OE1 3.26Å; R76-E243 PolarHBondContact NH1-OE1 3.06Å; R76-E243 IonicContact NH1-OE2 2.77Å; R76-E243 PolarHBondContact NH1-OE2 2.77Å; R76-E243 IonicContact NH2-OE1 2.78Å; R76-E243 PolarHBondContact NH2-OE1 3.22Å; R76-E243 IonicContact NH2-OE2 2.78Å; R76-E243 PolarHBondContact NH2-OE2 3.23Å; E243-V245 VanDerWaalsContact C-N 3.34Å; E243-K246 WeakPolarHBondContact O-CB 3.32Å; E243-K246 PolarHBondContact O-N 3.26Å; E243-K247 WeakPolarHBondContact O-CG 3.44Å; E243-K247 PolarHBondContact O-N 2.74Å
244	E	41.7	Very low	42.4	Very low	80 Å²	80	54.4 Å²	54.4	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-74	-27.4	173.6	-68.9	-54.9	131.4	0	0	112.1	I74 H242 K247 F248	I74-E244 HydrophobicContact CB-CB 4.42Å; I74-E244 HydrophobicContact CB-CG 4.36Å; I74-E244 HydrophobicContact CD1-CB 4.13Å; I74-E244 HydrophobicContact CD1-CG 4.13Å; I74-E244 HydrophobicContact CG2-CB 3.87Å; I74-E244 HydrophobicContact CG2-CG 3.37Å; H242-E244 VanDerWaalsContact C-N 3.34Å; H242-E244 PolarHBondContact O-N 2.65Å; E244-K247 IonicContact OE1-NZ 3.65Å; E244-K247 PolarHBondContact OE1-NZ 3.21Å; E244-F248 WeakPolarHBondContact O-CB 3.36Å; E244-F248 PolarHBondContact O-N 3.39Å
245	V	42.4	Very low	42.4	Very low	8 Å²	8	64.2 Å²	64.2	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-43.1	169.3	178.1	0	0	0	0	109.6	P48 H242 E243 F248 C249 M263	P48-V245 VanDerWaalsContact CD-CG1 3.49Å; P48-V245 HydrophobicContact CG-CB 3.77Å; P48-V245 HydrophobicContact CG-CG1 3.13Å; P48-V245 HydrophobicContact CG-CG2 4.08Å; H242-V245 HydrophobicContact CB-CB 3.69Å; H242-V245 HydrophobicContact CB-CG2 3.26Å; H242-V245 WeakPolarHBondContact O-CB 3.2Å; H242-V245 PolarHBondContact O-N 3.13Å; H242-V245 VanDerWaalsContact O-N 3.15Å; E243-V245 VanDerWaalsContact C-N 3.34Å; V245-F248 PolarHBondContact O-N 3.3Å; V245-C249 WeakPolarHBondContact O-CB 3.4Å; V245-C249 PolarHBondContact O-N 3.23Å; V245-C249 PolarHBondContact O-SG 2.95Å; V245-M263 HydrophobicContact CB-CE 4.11Å; V245-M263 HydrophobicContact CB-SD 3.88Å; V245-M263 HydrophobicContact CG1-CE 4.09Å; V245-M263 HydrophobicContact CG1-SD 3.25Å; V245-M263 WeakPolarHBondContact CG1-SD 3.48Å; V245-M263 HydrophobicContact CG2-CE 3.5Å; V245-M263 VanDerWaalsContact CG2-CE 3.5Å; V245-M263 HydrophobicContact CG2-SD 3.88Å
246	K	44.6	Very low	42.2	Very low	105 Å²	105	66.5 Å²	66.5	46%	0.457	33%	0.326	S	S	.	.	H	α-helix	trans	-59.4	-50.6	174.8	-177	179.9	177.5	-179.6	0	112	H242 E243 F248 C249 E250	H242-K246 PolarHBondContact O-N 3.21Å; E243-K246 WeakPolarHBondContact O-CB 3.32Å; E243-K246 PolarHBondContact O-N 3.26Å; K246-F248 VanDerWaalsContact C-N 3.34Å; K246-F248 PolarHBondContact O-N 3Å; K246-C249 WeakPolarHBondContact O-CB 3.44Å; K246-C249 PolarHBondContact O-N 3.2Å; K246-E250 WeakPolarHBondContact CE-OE1 3.41Å; K246-E250 WeakPolarHBondContact CG-OE1 3.3Å; K246-E250 WeakPolarHBondContact O-CB 3.35Å; K246-E250 VanDerWaalsContact O-CG 3.27Å; K246-E250 WeakPolarHBondContact O-CG 3.16Å; K246-E250 PolarHBondContact O-N 3.39Å
247	K	44.5	Very low	42	Very low	88 Å²	88	70.3 Å²	70.3	38%	0.383	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-37.6	176.5	-70.2	178	-166.6	161.8	0	112.9	E243 E244 E250 K251	E243-K247 WeakPolarHBondContact O-CG 3.44Å; E243-K247 PolarHBondContact O-N 2.74Å; E244-K247 IonicContact OE1-NZ 3.65Å; E244-K247 PolarHBondContact OE1-NZ 3.21Å; K247-E250 PolarHBondContact O-N 3.43Å; K247-K251 WeakPolarHBondContact O-CB 3.36Å; K247-K251 PolarHBondContact O-N 3.03Å
248	F	41.3	Very low	41.6	Very low	50 Å²	50	74.6 Å²	74.6	22%	0.219	37%	0.369	C	S	.	.	H	α-helix	trans	-65.1	-42.5	175.6	-177.8	-95.2	0	0	0	110.8	E244 V245 K246 K251 F252 M263 Y270	E244-F248 WeakPolarHBondContact O-CB 3.36Å; E244-F248 PolarHBondContact O-N 3.39Å; V245-F248 PolarHBondContact O-N 3.3Å; K246-F248 VanDerWaalsContact C-N 3.34Å; K246-F248 PolarHBondContact O-N 3Å; F248-K251 PolarHBondContact O-N 3.34Å; F248-F252 HydrophobicContact CD1-CD2 4.5Å; F248-F252 AromaticContact CD2-CD2 3.52Å; F248-F252 HydrophobicContact CD2-CD2 3.52Å; F248-F252 AromaticContact CD2-CE2 3.72Å; F248-F252 HydrophobicContact CD2-CE2 3.72Å; F248-F252 HydrophobicContact CE1-CD2 4.46Å; F248-F252 AromaticContact CE2-CD2 3.44Å; F248-F252 HydrophobicContact CE2-CD2 3.44Å; F248-F252 VanDerWaalsContact CE2-CD2 3.44Å; F248-F252 AromaticContact CE2-CE2 3.56Å; F248-F252 HydrophobicContact CE2-CE2 3.56Å; F248-F252 HydrophobicContact CE2-CG 4.24Å; F248-F252 HydrophobicContact CE2-CZ 4.44Å; F248-F252 HydrophobicContact CG-CD2 4.07Å; F248-F252 AromaticContact CZ-CD2 3.96Å; F248-F252 HydrophobicContact CZ-CD2 3.96Å; F248-F252 HydrophobicContact CZ-CE2 4.42Å; F248-F252 HydrophobicContact CZ-CG 4.35Å; F248-F252 WeakPolarHBondContact O-CB 3.41Å; F248-F252 WeakPolarHBondContact O-CD2 3.21Å; F248-F252 PolarHBondContact O-N 3.12Å; F248-M263 HydrophobicContact CB-SD 4.44Å; F248-M263 HydrophobicContact CD1-CE 4.41Å; F248-M263 HydrophobicContact CD1-CG 4.12Å; F248-M263 HydrophobicContact CD1-SD 3.53Å; F248-M263 VanDerWaalsContact CD1-SD 3.53Å; F248-M263 HydrophobicContact CE1-CG 4.12Å; F248-M263 HydrophobicContact CE1-SD 4.13Å; F248-M263 HydrophobicContact CG-SD 4.25Å; F248-Y270 WeakPolarHBondContact CD2-OH 3.43Å; F248-Y270 WeakPolarHBondContact CE2-OH 3.33Å
249	C	42.2	Very low	41.2	Very low	14 Å²	14	76 Å²	76	10%	0.095	38%	0.379	C	S	.	.	H	α-helix	trans	-66.5	-38	172.6	-69	0	0	0	0	113.7	V245 K246 K251 G253 C259	V245-C249 WeakPolarHBondContact O-CB 3.4Å; V245-C249 PolarHBondContact O-N 3.23Å; V245-C249 PolarHBondContact O-SG 2.95Å; K246-C249 WeakPolarHBondContact O-CB 3.44Å; K246-C249 PolarHBondContact O-N 3.2Å; C249-K251 VanDerWaalsContact C-N 3.26Å; C249-K251 PolarHBondContact O-N 2.84Å; C249-G253 CarbonylContact O-C 3.58Å; C249-G253 WeakPolarHBondContact O-CA 3.26Å; C249-G253 PolarHBondContact O-N 3.46Å; C249-G253 VanDerWaalsContact O-O 3.06Å; C249-C259 HydrophobicContact CB-CB 3.35Å; C249-C259 WeakPolarHBondContact CB-SG 3.46Å; C249-C259 WeakPolarHBondContact SG-CA 3.43Å; C249-C259 WeakPolarHBondContact SG-CB 3.13Å; C249-C259 PolarHBondContact SG-O 2.95Å; C249-C259 CovalentContact SG-SG 2Å; C249-C259 PolarHBondContact SG-SG 3.03Å
250	E	47.2	Very low	40.9	Very low	129 Å²	129	75.1 Å²	75.1	60%	0.603	38%	0.377	S	S	*	.	H	α-helix	trans	-67.4	-29.9	175.1	-72.7	168.1	174.9	0	0	111.5	K246 K247	K246-E250 WeakPolarHBondContact CE-OE1 3.41Å; K246-E250 WeakPolarHBondContact CG-OE1 3.3Å; K246-E250 WeakPolarHBondContact O-CB 3.35Å; K246-E250 VanDerWaalsContact O-CG 3.27Å; K246-E250 WeakPolarHBondContact O-CG 3.16Å; K246-E250 PolarHBondContact O-N 3.39Å; K247-E250 PolarHBondContact O-N 3.43Å
251	K	43.3	Very low	40.4	Very low	165 Å²	165	80.8 Å²	80.8	72%	0.717	40%	0.403	S	S	*	.	H	α-helix	trans	-86	-30.5	-180	-172.3	174	-179.5	178.5	0	114	K247 F248 C249	K247-K251 WeakPolarHBondContact O-CB 3.36Å; K247-K251 PolarHBondContact O-N 3.03Å; F248-K251 PolarHBondContact O-N 3.34Å; C249-K251 VanDerWaalsContact C-N 3.26Å; C249-K251 PolarHBondContact O-N 2.84Å
252	F	42.4	Very low	39.9	Very low	118 Å²	118	84 Å²	84	52%	0.518	42%	0.416	S	S	.	.	H	α-helix	trans	-123	-6.2	-173.1	-68	-80.5	0	0	0	114.7	F248	F248-F252 HydrophobicContact CD1-CD2 4.5Å; F248-F252 AromaticContact CD2-CD2 3.52Å; F248-F252 HydrophobicContact CD2-CD2 3.52Å; F248-F252 AromaticContact CD2-CE2 3.72Å; F248-F252 HydrophobicContact CD2-CE2 3.72Å; F248-F252 HydrophobicContact CE1-CD2 4.46Å; F248-F252 AromaticContact CE2-CD2 3.44Å; F248-F252 HydrophobicContact CE2-CD2 3.44Å; F248-F252 VanDerWaalsContact CE2-CD2 3.44Å; F248-F252 AromaticContact CE2-CE2 3.56Å; F248-F252 HydrophobicContact CE2-CE2 3.56Å; F248-F252 HydrophobicContact CE2-CG 4.24Å; F248-F252 HydrophobicContact CE2-CZ 4.44Å; F248-F252 HydrophobicContact CG-CD2 4.07Å; F248-F252 AromaticContact CZ-CD2 3.96Å; F248-F252 HydrophobicContact CZ-CD2 3.96Å; F248-F252 HydrophobicContact CZ-CE2 4.42Å; F248-F252 HydrophobicContact CZ-CG 4.35Å; F248-F252 WeakPolarHBondContact O-CB 3.41Å; F248-F252 WeakPolarHBondContact O-CD2 3.21Å; F248-F252 PolarHBondContact O-N 3.12Å
253	G	37.1	Very low	39.2	Very low	20 Å²	20	85.2 Å²	85.2	21%	0.206	42%	0.422	C	S	.	.	S	Bend	trans	-113.2	106.8	175.6	0	0	0	0	0	110.1	C249 H255	C249-G253 CarbonylContact O-C 3.58Å; C249-G253 WeakPolarHBondContact O-CA 3.26Å; C249-G253 PolarHBondContact O-N 3.46Å; C249-G253 VanDerWaalsContact O-O 3.06Å; G253-H255 PolarHBondContact O-N 2.8Å; G253-H255 VanDerWaalsContact O-N 3.13Å
254	S	31.7	Very low	38.7	Very low	89 Å²	89	87.6 Å²	87.6	62%	0.622	43%	0.429	S	S	*	.			trans	-54.5	107.3	178.9	167	0	0	0	0	112.1	S256	S254-S256 WeakPolarHBondContact O-CA 3.43Å; S254-S256 WeakPolarHBondContact O-CB 3.3Å; S254-S256 PolarHBondContact O-N 3.2Å; S254-S256 PolarHBondContact O-OG 2.93Å
255	H	40.8	Very low	38.1	Very low	206 Å²	206	86.8 Å²	86.8	95%	0.954	44%	0.443	S	S	*	.	S	Bend	trans	35.1	21.8	155.5	-77.6	-68	0	0	0	119.4	G253	G253-H255 PolarHBondContact O-N 2.8Å; G253-H255 VanDerWaalsContact O-N 3.13Å
256	S	36	Very low	37.4	Very low	56 Å²	56	94.1 Å²	94.1	39%	0.392	48%	0.477	S	S	.	.	S	Bend	trans	-148.9	159.5	-166.1	102.4	0	0	0	0	107.1	S254 E258	S254-S256 WeakPolarHBondContact O-CA 3.43Å; S254-S256 WeakPolarHBondContact O-CB 3.3Å; S254-S256 PolarHBondContact O-N 3.2Å; S254-S256 PolarHBondContact O-OG 2.93Å; S256-E258 PolarHBondContact O-N 3.18Å; S256-E258 WeakPolarHBondContact OG-CG 3.31Å; S256-E258 PolarHBondContact OG-OE2 3.25Å
257	N	37.9	Very low	36.8	Very low	140 Å²	140	96.3 Å²	96.3	75%	0.749	49%	0.488	S	S	*	.	S	Bend	trans	-68.5	25.9	-170.8	-56.8	-36.8	0	0	0	114.4	C259	N257-C259 PolarHBondContact O-N 3.36Å
258	E	37.2	Very low	36.2	Very low	104 Å²	104	96.3 Å²	96.3	49%	0.486	49%	0.491	S	S	.	.			trans	-88.7	19.7	-171.4	-78.8	170.3	164.4	0	0	114.6	S256 S260	S256-E258 PolarHBondContact O-N 3.18Å; S256-E258 WeakPolarHBondContact OG-CG 3.31Å; S256-E258 PolarHBondContact OG-OE2 3.25Å; E258-S260 PolarHBondContact O-N 3.42Å; E258-S260 VanDerWaalsContact O-N 3.17Å
259	C	35.5	Very low	35.6	Very low	34 Å²	34	97.5 Å²	97.5	23%	0.23	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-6.4	179	178.7	0	0	0	0	114	C249 N257	C249-C259 HydrophobicContact CB-CB 3.35Å; C249-C259 WeakPolarHBondContact CB-SG 3.46Å; C249-C259 WeakPolarHBondContact SG-CA 3.43Å; C249-C259 WeakPolarHBondContact SG-CB 3.13Å; C249-C259 PolarHBondContact SG-O 2.95Å; C249-C259 CovalentContact SG-SG 2Å; C249-C259 PolarHBondContact SG-SG 3.03Å; N257-C259 PolarHBondContact O-N 3.36Å
260	S	37.4	Very low	35.1	Very low	25 Å²	25	103.3 Å²	103.3	18%	0.175	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.2	-171.2	57.3	0	0	0	0	116.6	E258	E258-S260 PolarHBondContact O-N 3.42Å; E258-S260 VanDerWaalsContact O-N 3.17Å
261	E	33.3	Very low	34.1	Very low	120 Å²	120	107.2 Å²	107.2	56%	0.561	54%	0.536	S	S	*	.	S	Bend	trans	-110.1	-8.3	-158.1	-65	-171.9	161.8	0	0	116.7
262	K	31.7	Very low	33.3	Very low	150 Å²	150	109.9 Å²	109.9	65%	0.652	54%	0.542	S	S	*	.	S	Bend	trans	-121.1	5	-172.2	-71.2	-176.3	-179.8	172.4	0	116.8
263	M	31.9	Very low	32.6	Very low	32 Å²	32	111 Å²	111	16%	0.158	55%	0.553	C	S	.	*	S	Bend	trans	-124.2	-0	-166.6	-66.2	-164.2	71.3	0	0	116.7	V245 F248 M268	V245-M263 HydrophobicContact CB-CE 4.11Å; V245-M263 HydrophobicContact CB-SD 3.88Å; V245-M263 HydrophobicContact CG1-CE 4.09Å; V245-M263 HydrophobicContact CG1-SD 3.25Å; V245-M263 WeakPolarHBondContact CG1-SD 3.48Å; V245-M263 HydrophobicContact CG2-CE 3.5Å; V245-M263 VanDerWaalsContact CG2-CE 3.5Å; V245-M263 HydrophobicContact CG2-SD 3.88Å; F248-M263 HydrophobicContact CB-SD 4.44Å; F248-M263 HydrophobicContact CD1-CE 4.41Å; F248-M263 HydrophobicContact CD1-CG 4.12Å; F248-M263 HydrophobicContact CD1-SD 3.53Å; F248-M263 VanDerWaalsContact CD1-SD 3.53Å; F248-M263 HydrophobicContact CE1-CG 4.12Å; F248-M263 HydrophobicContact CE1-SD 4.13Å; F248-M263 HydrophobicContact CG-SD 4.25Å; M263-M268 HydrophobicContact CE-CE 3.53Å; M263-M268 HydrophobicContact CE-SD 4.21Å
264	Y	32	Very low	32	Very low	106 Å²	106	115.8 Å²	115.8	42%	0.416	57%	0.574	S	S	.	*	S	Bend	trans	-98.5	9.8	-168.4	-77.4	-79.2	0	0	0	116	P48	P48-Y264 WeakPolarHBondContact CB-OH 3.28Å
265	G	30.5	Very low	31.8	Very low	64 Å²	64	117.9 Å²	117.9	66%	0.66	59%	0.587	S	S	*	*	S	Bend	trans	-170.7	20.3	-174.2	0	0	0	0	0	117.6
266	Q	27.8	Very low	31	Very low	162 Å²	162	116.4 Å²	116.4	76%	0.757	58%	0.58	S	S	*	*	S	Bend	trans	-112.8	134.7	171.1	-78.3	-176.9	-25.8	0	0	109.2	M268	Q266-M268 PolarHBondContact O-N 3.16Å
267	E	31.3	Very low	30.6	Very low	150 Å²	150	117.8 Å²	117.8	70%	0.701	60%	0.596	S	S	*	*			trans	-37.6	106.5	158.2	-70.9	176.8	159.8	0	0	107.9	S269 K362	E267-S269 PolarHBondContact O-N 3.31Å; E267-K362 IonicContact OE1-NZ 2.8Å; E267-K362 PolarHBondContact OE1-NZ 3.36Å; E267-K362 IonicContact OE2-NZ 2.92Å; E267-K362 PolarHBondContact OE2-NZ 2.99Å; E267-K362 VanDerWaalsContact OE2-NZ 3.14Å
268	M	31.3	Very low	30	Very low	88 Å²	88	119.5 Å²	119.5	43%	0.433	60%	0.604	S	S	.	*			trans	-72.4	68.3	164.2	-90.7	-174.2	121.7	0	0	107.2	M263 Q266 Y270	M263-M268 HydrophobicContact CE-CE 3.53Å; M263-M268 HydrophobicContact CE-SD 4.21Å; Q266-M268 PolarHBondContact O-N 3.16Å; M268-Y270 HydrophobicContact CB-CD2 3.88Å; M268-Y270 HydrophobicContact CB-CE2 4.36Å; M268-Y270 HydrophobicContact CE-CD2 3.61Å; M268-Y270 HydrophobicContact CE-CE2 3.11Å; M268-Y270 HydrophobicContact CG-CD2 3.73Å; M268-Y270 HydrophobicContact CG-CE2 3.7Å; M268-Y270 PolarHBondContact O-N 2.86Å; M268-Y270 HydrophobicContact SD-CD2 4.26Å; M268-Y270 HydrophobicContact SD-CE2 4.14Å
269	S	29.1	Very low	29.6	Very low	76 Å²	76	119.9 Å²	119.9	53%	0.531	62%	0.619	S	S	.	*			trans	-70.3	72.5	154.6	164.8	0	0	0	0	107	E267 R271	E267-S269 PolarHBondContact O-N 3.31Å; S269-R271 PolarHBondContact O-N 3.43Å
270	Y	32.1	Very low	29.1	Very low	136 Å²	136	124.2 Å²	124.2	53%	0.533	64%	0.644	S	S	.	*			trans	-76.5	109.7	166	-92.6	-97.5	0	0	0	108.1	F248 M268 Y272	F248-Y270 WeakPolarHBondContact CD2-OH 3.43Å; F248-Y270 WeakPolarHBondContact CE2-OH 3.33Å; M268-Y270 HydrophobicContact CB-CD2 3.88Å; M268-Y270 HydrophobicContact CB-CE2 4.36Å; M268-Y270 HydrophobicContact CE-CD2 3.61Å; M268-Y270 HydrophobicContact CE-CE2 3.11Å; M268-Y270 HydrophobicContact CG-CD2 3.73Å; M268-Y270 HydrophobicContact CG-CE2 3.7Å; M268-Y270 PolarHBondContact O-N 2.86Å; M268-Y270 HydrophobicContact SD-CD2 4.26Å; M268-Y270 HydrophobicContact SD-CE2 4.14Å; Y270-Y272 PolarHBondContact O-N 3.21Å; Y270-Y272 VanDerWaalsContact O-N 3.15Å
271	R	25.1	Very low	28.6	Very low	211 Å²	211	130.7 Å²	130.7	80%	0.796	68%	0.675	S	S	*	*			trans	-49.9	118.3	157.2	-80.4	-179.7	-179.2	-171.9	-1.7	107.5	S269 L273	S269-R271 PolarHBondContact O-N 3.43Å; R271-L273 PolarHBondContact O-N 2.96Å
272	Y	27.5	Very low	28.4	Very low	220 Å²	220	129.5 Å²	129.5	86%	0.863	69%	0.686	S	S	*	*			trans	-62.2	95.8	153.2	-151.4	-93.3	0	0	0	105.1	Y270 D274	Y270-Y272 PolarHBondContact O-N 3.21Å; Y270-Y272 VanDerWaalsContact O-N 3.15Å; Y272-D274 PolarHBondContact O-N 3.02Å
273	L	27	Very low	28.2	Very low	141 Å²	141	128.2 Å²	128.2	74%	0.738	70%	0.696	S	S	*	*			trans	-66.3	115.9	166.1	-108.8	112.1	0	0	0	105.6	R271 C275	R271-L273 PolarHBondContact O-N 2.96Å; L273-C275 PolarHBondContact O-N 3.36Å; L273-C275 VanDerWaalsContact O-N 3.17Å
274	D	25.1	Very low	28	Very low	122 Å²	122	129.9 Å²	129.9	65%	0.652	72%	0.722	S	S	*	*			trans	-36.9	120.3	158.7	-72.6	-48.7	0	0	0	109.6	Y272 H276	Y272-D274 PolarHBondContact O-N 3.02Å; D274-H276 PolarHBondContact O-N 3.47Å
275	C	26.4	Very low	27.9	Very low	133 Å²	133	130.2 Å²	130.2	90%	0.899	74%	0.739	S	S	*	*			trans	-65.2	81.8	154.2	-77.7	0	0	0	0	107.3	L273 A277	L273-C275 PolarHBondContact O-N 3.36Å; L273-C275 VanDerWaalsContact O-N 3.17Å; C275-A277 PolarHBondContact O-N 3.39Å
276	H	24.8	Very low	27.9	Very low	174 Å²	174	134.2 Å²	134.2	81%	0.806	75%	0.746	S	S	*	*			trans	-54.3	115.9	149.6	-87.7	-77.2	0	0	0	108	D274	D274-H276 PolarHBondContact O-N 3.47Å
277	A	28.6	Very low	28	Very low	86 Å²	86	133.5 Å²	133.5	71%	0.711	74%	0.742	S	S	*	*			trans	-168.4	112.4	131.7	0	0	0	0	0	109.1	C275 S279	C275-A277 PolarHBondContact O-N 3.39Å; A277-S279 PolarHBondContact O-N 2.78Å
278	N	24.6	Very low	28	Very low	175 Å²	175	136.5 Å²	136.5	94%	0.936	75%	0.747	S	S	*	*			trans	-38.4	116.9	158.8	-72.5	-30.4	0	0	0	111.7
279	S	28.7	Very low	27.8	Very low	112 Å²	112	140 Å²	140	78%	0.783	77%	0.767	S	S	*	*			trans	-149.6	107.7	145.2	52.8	0	0	0	0	109.9	A277	A277-S279 PolarHBondContact O-N 2.78Å
280	T	25.7	Very low	27.7	Very low	125 Å²	125	141.6 Å²	141.6	77%	0.767	78%	0.777	S	S	*	*			trans	-55.4	140.2	168.6	36.9	0	0	0	0	113.4
281	I	26.4	Very low	27.5	Very low	161 Å²	161	141.1 Å²	141.1	83%	0.826	78%	0.784	S	S	*	*			trans	69.8	108.5	145.3	-54.6	158.2	0	0	0	116.6
282	A	28.6	Very low	27.8	Very low	96 Å²	96	138 Å²	138	79%	0.793	78%	0.781	S	S	*	*				-166.5	122.3	117.3	0	0	0	0	0	110.9
283	S	27.5	Very low	27.9	Very low	122 Å²	122	133.9 Å²	133.9	85%	0.853	78%	0.779	S	S	*	*			trans	-48.1	151.3	166.6	49.1	0	0	0	0	115.6
284	G	28.2	Very low	28	Very low	68 Å²	68	130.7 Å²	130.7	70%	0.701	78%	0.78	S	S	*	*			trans	156.1	90.1	152.8	0	0	0	0	0	116.3
285	S	29.8	Very low	28.3	Very low	112 Å²	112	134 Å²	134	78%	0.783	79%	0.791	S	S	*	*			trans	39.3	112	142.8	58.8	0	0	0	0	121.6
286	D	31	Very low	28.5	Very low	149 Å²	149	134.2 Å²	134.2	80%	0.797	79%	0.793	S	S	*	*				168	97.5	115.4	-105.3	-19.7	0	0	0	108.9
287	E	29.2	Very low	29.1	Very low	147 Å²	147	131.4 Å²	131.4	69%	0.687	79%	0.793	S	S	*	*				85.3	121.3	90.3	-114.4	-167.5	-150.1	0	0	115
288	R	30.5	Very low	29.2	Very low	213 Å²	213	134 Å²	134	80%	0.804	80%	0.795	S	S	*	*			trans	84.6	124.6	167.1	-56.2	175.7	-159.5	-170.3	3.9	115.5
289	L	27.7	Very low	30	Very low	161 Å²	161	130.9 Å²	130.9	84%	0.843	78%	0.784	S	S	*	*			cis	-159.2	103.9	21.1	-143.7	83.1	0	0	0	109.2
290	C	26.1	Very low	30.5	Very low	110 Å²	110	134.5 Å²	134.5	74%	0.743	79%	0.789	S	S	*	*			trans	-95	156.7	150.9	-86.2	0	0	0	0	105.6
291	N	28	Very low	30.7	Very low	126 Å²	126	134 Å²	134	67%	0.674	79%	0.79	S	S	*	*			cis	-165.8	156.7	14.1	-116.2	-21.7	0	0	0	107.3
292	I	32.2	Very low	31.2	Very low	144 Å²	144	130.2 Å²	130.2	74%	0.738	78%	0.783	S	S	*	*	S	Bend	trans	10	118.6	136.3	-61.9	156.9	0	0	0	115.2
293	T	30.6	Very low	31.5	Very low	135 Å²	135	135.6 Å²	135.6	83%	0.828	78%	0.784	S	S	*	*	S	Bend	trans	76.8	117.2	170.8	64	0	0	0	0	118.2
294	G	29.1	Very low	32	Very low	73 Å²	73	135.8 Å²	135.8	75%	0.753	78%	0.78	S	S	*	*			trans	94.3	109.3	148.7	0	0	0	0	0	117
295	E	30.8	Very low	33	Very low	192 Å²	192	138 Å²	138	90%	0.897	77%	0.771	S	S	*	*			trans	53.5	118.2	148.2	-69.6	178.3	150.1	0	0	120.1
296	C	30	Very low	34.4	Very low	138 Å²	138	140.5 Å²	140.5	93%	0.932	78%	0.775	S	S	*	*				-153.2	140.4	122	-97.5	0	0	0	0	111.4
297	S	37.9	Very low	36.3	Very low	114 Å²	114	135.2 Å²	135.2	80%	0.797	75%	0.75	S	S	*	*			trans	-82.4	144.3	-166.9	45	0	0	0	0	114.5
298	N	31.3	Very low	38.2	Very low	142 Å²	142	132.5 Å²	132.5	76%	0.759	74%	0.743	S	S	*	*			trans	-13.9	162.4	149.1	-116.2	0.9	0	0	0	117.3
299	P	40.3	Very low	39.8	Very low	109 Å²	109	128.3 Å²	128.3	71%	0.708	74%	0.743	S	S	*	*			cis	-152	134.3	29.3	33.6	-9.5	0	0	0	117.8
300	E	38.6	Very low	41.6	Very low	188 Å²	188	121.2 Å²	121.2	88%	0.879	71%	0.709	S	S	*	*	S	Bend	trans	-169.9	74.4	141	-106.5	170.6	-154.2	0	0	110.5
301	S	31.5	Very low	43.7	Very low	115 Å²	115	119.3 Å²	119.3	80%	0.804	69%	0.688	S	S	*	*	S	Bend	trans	44	80.6	155.9	63.4	0	0	0	0	119.6
302	A	35.8	Very low	45.7	Very low	80 Å²	80	116.4 Å²	116.4	66%	0.661	68%	0.676	S	S	*	*			trans	-140.6	111.4	134.9	0	0	0	0	0	107.1	T304	A302-T304 PolarHBondContact O-N 2.92Å; A302-T304 PolarHBondContact O-OG1 2.77Å
303	Y	34.9	Very low	47.3	Very low	209 Å²	209	110.7 Å²	110.7	82%	0.82	65%	0.652	S	S	*	*			trans	-50.7	102.3	174.5	-86.8	-95.4	0	0	0	108.7	F305	Y303-F305 HydrophobicContact CD1-CE2 4.44Å; Y303-F305 HydrophobicContact CD1-CZ 4.45Å; Y303-F305 HydrophobicContact CG-CE2 4.45Å; Y303-F305 PolarHBondContact O-N 2.82Å
304	T	37.6	Very low	49.2	Very low	127 Å²	127	114.7 Å²	114.7	78%	0.779	65%	0.652	S	S	*	*			trans	-91.3	96.5	175	-27.9	0	0	0	0	105	A302 N306	A302-T304 PolarHBondContact O-N 2.92Å; A302-T304 PolarHBondContact O-OG1 2.77Å; T304-N306 PolarHBondContact O-N 3.15Å
305	F	50.5	Low	51.3	Low	115 Å²	115	115.7 Å²	115.7	50%	0.504	64%	0.64	S	S	.	*			trans	-71.9	124.1	174.4	-73.5	-96	0	0	0	108.4	Y303 C307 R314 C316	Y303-F305 HydrophobicContact CD1-CE2 4.44Å; Y303-F305 HydrophobicContact CD1-CZ 4.45Å; Y303-F305 HydrophobicContact CG-CE2 4.45Å; Y303-F305 PolarHBondContact O-N 2.82Å; F305-C307 PolarHBondContact O-N 2.8Å; F305-C307 VanDerWaalsContact O-N 3.11Å; F305-R314 WeakPolarHBondContact CD2-O 3.42Å; F305-R314 WeakPolarHBondContact CE2-O 3.21Å; F305-C316 VanDerWaalsContact CB-SG 3.5Å
306	N	58.7	Low	53.3	Low	163 Å²	163	107.9 Å²	107.9	87%	0.872	61%	0.606	S	S	*	*			trans	-75.1	95.7	165.3	-81.1	-10.6	0	0	0	107.8	T304	T304-N306 PolarHBondContact O-N 3.15Å
307	C	70	Confident	55.5	Low	39 Å²	39	105.2 Å²	105.2	26%	0.264	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-69.3	144.3	177.6	-57.6	0	0	0	0	111.3	F305 F311 C316	F305-C307 PolarHBondContact O-N 2.8Å; F305-C307 VanDerWaalsContact O-N 3.11Å; C307-F311 HydrophobicContact CB-CB 4.16Å; C307-F311 WeakPolarHBondContact CB-O 2.93Å; C307-C316 WeakPolarHBondContact CA-SG 3.47Å; C307-C316 HydrophobicContact CB-CB 3.62Å; C307-C316 WeakPolarHBondContact CB-SG 3.3Å; C307-C316 WeakPolarHBondContact SG-CA 3.38Å; C307-C316 WeakPolarHBondContact SG-CB 3.41Å; C307-C316 CovalentContact SG-SG 2.04Å; C307-C316 PolarHBondContact SG-SG 3.35Å
308	T	70	Confident	56.9	Low	89 Å²	89	105.1 Å²	105.1	55%	0.546	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-56.3	142.8	168	33.2	0	0	0	0	109.8	G310 F311	T308-G310 PolarHBondContact O-N 2.91Å; T308-F311 PolarHBondContact O-N 2.81Å; T308-F311 WeakPolarHBondContact OG1-CD2 3.39Å
309	P	64.8	Low	58.5	Low	125 Å²	125	102.8 Å²	102.8	81%	0.812	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.6	130	174.6	-26.8	34.4	0	0	0	111
310	G	65.1	Low	59.7	Low	12 Å²	12	98.9 Å²	98.9	12%	0.124	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	98	-7.2	-172.8	0	0	0	0	0	115.1	T308 V320	T308-G310 PolarHBondContact O-N 2.91Å; G310-V320 PolarHBondContact O-N 3.37Å
311	F	70.9	Confident	60.8	Low	70 Å²	70	94.7 Å²	94.7	31%	0.307	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.7	177.9	-65.3	-93.6	0	0	0	112.5	C307 T308 C316 E318	C307-F311 HydrophobicContact CB-CB 4.16Å; C307-F311 WeakPolarHBondContact CB-O 2.93Å; T308-F311 PolarHBondContact O-N 2.81Å; T308-F311 WeakPolarHBondContact OG1-CD2 3.39Å; F311-C316 HydrophobicContact CB-CB 4.34Å; F311-C316 WeakPolarHBondContact CD1-O 3.44Å; F311-E318 CarbonylContact C-O 3.28Å; F311-E318 VanDerWaalsContact CA-O 3.25Å; F311-E318 WeakPolarHBondContact CA-O 3.46Å
312	T	68.5	Low	62.2	Low	66 Å²	66	90.2 Å²	90.2	41%	0.405	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	-175.4	178	-168.7	0	0	0	0	110.7	C316 S317 E318 V320	T312-C316 CarbonylContact O-C 3.43Å; T312-C316 WeakPolarHBondContact O-CA 3.34Å; T312-S317 PolarHBondContact O-N 2.83Å; T312-E318 HydrophobicContact CG2-CB 3.59Å; T312-E318 PolarHBondContact N-O 2.85Å; T312-E318 WeakPolarHBondContact O-CB 3.29Å; T312-E318 PolarHBondContact O-N 3.2Å; T312-E318 VanDerWaalsContact O-N 3.12Å; T312-V320 HydrophobicContact CG2-CG2 4.21Å
313	G	66.8	Low	63.1	Low	23 Å²	23	89.8 Å²	89.8	24%	0.237	48%	0.479	C	S	.	.	S	Bend	trans	89	167.2	-179.5	0	0	0	0	0	113.3	N315 C316	G313-N315 PolarHBondContact O-N 2.93Å; G313-C316 PolarHBondContact O-N 3.4Å
314	R	70.7	Confident	64.2	Low	220 Å²	220	87.6 Å²	87.6	83%	0.83	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.3	-173	-148.2	-176.4	-135.7	175.7	4	114	F305	F305-R314 WeakPolarHBondContact CD2-O 3.42Å; F305-R314 WeakPolarHBondContact CE2-O 3.21Å
315	N	72.1	Confident	65.2	Low	94 Å²	94	88.8 Å²	88.8	50%	0.503	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	16.6	-178.3	63.9	-9	0	0	0	112.1	G313 S317	G313-N315 PolarHBondContact O-N 2.93Å; N315-S317 PolarHBondContact ND2-OG 2.95Å; N315-S317 VanDerWaalsContact ND2-OG 3.11Å; N315-S317 PolarHBondContact O-N 3.21Å; N315-S317 VanDerWaalsContact O-N 3.09Å; N315-S317 PolarHBondContact O-OG 2.04Å; N315-S317 VanDerWaalsContact OD1-CB 3.24Å; N315-S317 WeakPolarHBondContact OD1-CB 3.15Å; N315-S317 PolarHBondContact OD1-N 2.8Å; N315-S317 PolarHBondContact OD1-OG 3.15Å
316	C	73.5	Confident	65.4	Low	28 Å²	28	84.3 Å²	84.3	19%	0.189	45%	0.45	C	S	.	.	S	Bend	trans	53.8	30.4	-179.2	-51.2	0	0	0	0	114.4	F305 C307 F311 T312 G313	F305-C316 VanDerWaalsContact CB-SG 3.5Å; C307-C316 WeakPolarHBondContact CA-SG 3.47Å; C307-C316 HydrophobicContact CB-CB 3.62Å; C307-C316 WeakPolarHBondContact CB-SG 3.3Å; C307-C316 WeakPolarHBondContact SG-CA 3.38Å; C307-C316 WeakPolarHBondContact SG-CB 3.41Å; C307-C316 CovalentContact SG-SG 2.04Å; C307-C316 PolarHBondContact SG-SG 3.35Å; F311-C316 HydrophobicContact CB-CB 4.34Å; F311-C316 WeakPolarHBondContact CD1-O 3.44Å; T312-C316 CarbonylContact O-C 3.43Å; T312-C316 WeakPolarHBondContact O-CA 3.34Å; G313-C316 PolarHBondContact O-N 3.4Å
317	S	75.9	Confident	65.5	Low	81 Å²	81	86 Å²	86	57%	0.566	44%	0.444	S	S	*	.			trans	-102	-6.9	-179.1	-55.9	0	0	0	0	113.2	T312 N315	T312-S317 PolarHBondContact O-N 2.83Å; N315-S317 PolarHBondContact ND2-OG 2.95Å; N315-S317 VanDerWaalsContact ND2-OG 3.11Å; N315-S317 PolarHBondContact O-N 3.21Å; N315-S317 VanDerWaalsContact O-N 3.09Å; N315-S317 PolarHBondContact O-OG 2.04Å; N315-S317 VanDerWaalsContact OD1-CB 3.24Å; N315-S317 WeakPolarHBondContact OD1-CB 3.15Å; N315-S317 PolarHBondContact OD1-N 2.8Å; N315-S317 PolarHBondContact OD1-OG 3.15Å
318	E	68	Low	65.2	Low	112 Å²	112	87.1 Å²	87.1	52%	0.523	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.3	176.3	-62.6	167.4	-160.7	0	0	108.4	F311 T312	F311-E318 CarbonylContact C-O 3.28Å; F311-E318 VanDerWaalsContact CA-O 3.25Å; F311-E318 WeakPolarHBondContact CA-O 3.46Å; T312-E318 HydrophobicContact CG2-CB 3.59Å; T312-E318 PolarHBondContact N-O 2.85Å; T312-E318 WeakPolarHBondContact O-CB 3.29Å; T312-E318 PolarHBondContact O-N 3.2Å; T312-E318 VanDerWaalsContact O-N 3.12Å
319	D	65	Low	65.2	Low	94 Å²	94	85.7 Å²	85.7	50%	0.503	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.9	172.1	-157.2	33.9	0	0	0	108.1	D321	D319-D321 PolarHBondContact O-N 2.97Å
320	V	64.9	Low	65	Low	27 Å²	27	83.7 Å²	83.7	16%	0.164	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-69.2	122.1	175	173.8	0	0	0	0	107.4	G310 T312 E322 Y325	G310-V320 PolarHBondContact O-N 3.37Å; T312-V320 HydrophobicContact CG2-CG2 4.21Å; V320-E322 VanDerWaalsContact C-N 3.33Å; V320-E322 HydrophobicContact CB-CG 4.42Å; V320-E322 HydrophobicContact CG1-CG 4.06Å; V320-E322 PolarHBondContact O-N 3.49Å; V320-Y325 HydrophobicContact CG1-CE2 3.82Å
321	D	61.5	Low	64.9	Low	99 Å²	99	86 Å²	86	53%	0.529	42%	0.424	S	S	.	.			trans	-70.3	91.4	171.7	-179	9	0	0	0	109.8	D319 C323 Q324	D319-D321 PolarHBondContact O-N 2.97Å; D321-C323 PolarHBondContact O-N 2.99Å; D321-C323 VanDerWaalsContact O-N 3.15Å; D321-C323 WeakPolarHBondContact OD1-CB 3.42Å; D321-C323 PolarHBondContact OD1-N 2.86Å; D321-C323 PolarHBondContact OD1-SG 3.45Å; D321-Q324 PolarHBondContact O-N 3.27Å
322	E	60.2	Low	64.3	Low	22 Å²	22	86.1 Å²	86.1	10%	0.103	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-70	-8.7	-178.2	-56.8	104.7	158.6	0	0	113.2	V320 Q324 Y325 F340	V320-E322 VanDerWaalsContact C-N 3.33Å; V320-E322 HydrophobicContact CB-CG 4.42Å; V320-E322 HydrophobicContact CG1-CG 4.06Å; V320-E322 PolarHBondContact O-N 3.49Å; E322-Q324 PolarHBondContact O-N 3.17Å; E322-Y325 PolarHBondContact O-N 3.42Å; E322-F340 HydrophobicContact CB-CB 3.8Å; E322-F340 HydrophobicContact CB-CD1 3.38Å; E322-F340 HydrophobicContact CB-CD2 4.09Å; E322-F340 HydrophobicContact CB-CE1 3.88Å; E322-F340 HydrophobicContact CB-CG 3.48Å; E322-F340 VanDerWaalsContact CB-CG 3.48Å; E322-F340 HydrophobicContact CB-CZ 4.42Å; E322-F340 HydrophobicContact CG-CB 4.41Å; E322-F340 HydrophobicContact CG-CD1 3.35Å; E322-F340 HydrophobicContact CG-CE1 3.73Å; E322-F340 HydrophobicContact CG-CG 4Å
323	C	54.6	Low	63.8	Low	71 Å²	71	85.4 Å²	85.4	48%	0.48	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-62.2	-33	173.4	-53.4	0	0	0	0	111.8	D321 Y325 C326 M331	D321-C323 PolarHBondContact O-N 2.99Å; D321-C323 VanDerWaalsContact O-N 3.15Å; D321-C323 WeakPolarHBondContact OD1-CB 3.42Å; D321-C323 PolarHBondContact OD1-N 2.86Å; D321-C323 PolarHBondContact OD1-SG 3.45Å; C323-Y325 PolarHBondContact O-N 2.99Å; C323-C326 PolarHBondContact O-N 2.67Å; C323-M331 HydrophobicContact CB-CE 4.3Å; C323-M331 WeakPolarHBondContact SG-CE 3.43Å
324	Q	59.8	Low	63.2	Low	162 Å²	162	88.8 Å²	88.8	76%	0.757	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-64.9	-21.5	-178.8	-163.3	177.5	30.1	0	0	112.6	D321 E322	D321-Q324 PolarHBondContact O-N 3.27Å; E322-Q324 PolarHBondContact O-N 3.17Å
325	Y	57	Low	62.3	Low	153 Å²	153	81.7 Å²	81.7	60%	0.6	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-90.8	-12.3	-179.9	-59.3	-86.6	0	0	0	113.8	V320 E322 C323 R327	V320-Y325 HydrophobicContact CG1-CE2 3.82Å; E322-Y325 PolarHBondContact O-N 3.42Å; C323-Y325 PolarHBondContact O-N 2.99Å; Y325-R327 PolarHBondContact O-N 2.95Å
326	C	55	Low	61.3	Low	20 Å²	20	80.5 Å²	80.5	14%	0.135	44%	0.438	C	S	.	.			trans	-79.8	57.8	-179.2	-64.7	0	0	0	0	111.6	C323 N328 K329 C342	C323-C326 PolarHBondContact O-N 2.67Å; C326-N328 PolarHBondContact O-N 3.28Å; C326-K329 HydrophobicContact CB-CB 3.59Å; C326-K329 PolarHBondContact O-N 3.22Å; C326-C342 HydrophobicContact CB-CB 4.29Å; C326-C342 WeakPolarHBondContact CB-SG 3.38Å; C326-C342 WeakPolarHBondContact SG-CB 3.44Å; C326-C342 CovalentContact SG-SG 2.11Å; C326-C342 PolarHBondContact SG-SG 3.2Å
327	R	61.9	Low	60.4	Low	199 Å²	199	88.1 Å²	88.1	75%	0.751	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	131.2	165.1	-77.6	-170.4	-175.2	177.4	2.1	109.8	Y325 K329	Y325-R327 PolarHBondContact O-N 2.95Å; R327-K329 WeakPolarHBondContact O-CG 2.97Å; R327-K329 PolarHBondContact O-N 3.35Å; R327-K329 VanDerWaalsContact O-N 3.09Å
328	N	63.5	Low	59.3	Low	62 Å²	62	85.6 Å²	85.6	33%	0.332	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	28	-176.8	-62	-19.2	0	0	0	114.7	C326 C344 I345 Y348 C353	C326-N328 PolarHBondContact O-N 3.28Å; N328-C344 WeakPolarHBondContact O-CA 3.03Å; N328-I345 PolarHBondContact O-N 3.44Å; N328-Y348 HydrophobicContact CB-CD1 4.05Å; N328-Y348 HydrophobicContact CB-CD2 4.09Å; N328-Y348 HydrophobicContact CB-CE1 4.34Å; N328-Y348 HydrophobicContact CB-CE2 4.37Å; N328-Y348 HydrophobicContact CB-CG 3.91Å; N328-Y348 WeakPolarHBondContact ND2-CE1 3.27Å; N328-C353 HydrophobicContact CB-CB 4.04Å; N328-C353 WeakPolarHBondContact CB-O 3.37Å; N328-C353 PolarHBondContact ND2-O 3.44Å; N328-C353 WeakPolarHBondContact O-CB 3.39Å
329	K	68.9	Low	58.7	Low	60 Å²	60	81.7 Å²	81.7	26%	0.261	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.8	-174.5	-78.6	169.9	-174.1	-174	0	110.7	C326 R327 C342 E343 C353	C326-K329 HydrophobicContact CB-CB 3.59Å; C326-K329 PolarHBondContact O-N 3.22Å; R327-K329 WeakPolarHBondContact O-CG 2.97Å; R327-K329 PolarHBondContact O-N 3.35Å; R327-K329 VanDerWaalsContact O-N 3.09Å; K329-C342 HydrophobicContact CB-CB 3.57Å; K329-C342 HydrophobicContact CD-CB 3.96Å; K329-C342 HydrophobicContact CG-CB 4.03Å; K329-E343 CarbonylContact C-O 3.57Å; K329-E343 WeakPolarHBondContact CA-O 3.46Å; K329-C353 WeakPolarHBondContact CE-SG 3.39Å; K329-C353 HydrophobicContact CG-CB 3.96Å; K329-C353 WeakPolarHBondContact CG-SG 3.41Å
330	I	62.3	Low	58.5	Low	82 Å²	82	81.9 Å²	81.9	42%	0.421	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.4	169.7	-56.6	-179.7	0	0	0	108	L332 C342 E343 I345	I330-L332 PolarHBondContact O-N 3.25Å; I330-C342 CarbonylContact O-C 3.45Å; I330-C342 WeakPolarHBondContact O-CA 3.42Å; I330-C342 WeakPolarHBondContact O-CB 3.15Å; I330-E343 PolarHBondContact N-O 3.03Å; I330-E343 PolarHBondContact O-N 3.29Å; I330-I345 HydrophobicContact CD1-CB 4.49Å; I330-I345 HydrophobicContact CD1-CG1 4.23Å; I330-I345 HydrophobicContact CG1-CB 4.27Å; I330-I345 HydrophobicContact CG1-CG1 3.57Å
331	M	61.1	Low	58.4	Low	62 Å²	62	86.4 Å²	86.4	31%	0.305	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127	171.7	-173.3	-170.9	-79.6	0	0	110	C323	C323-M331 HydrophobicContact CB-CE 4.3Å; C323-M331 WeakPolarHBondContact SG-CE 3.43Å
332	L	58.6	Low	58.6	Low	72 Å²	72	83.3 Å²	83.3	38%	0.377	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-28.5	178	-65.7	176	0	0	0	113.5	I330 K341 E343	I330-L332 PolarHBondContact O-N 3.25Å; L332-K341 HydrophobicContact CB-CB 4.47Å; L332-K341 HydrophobicContact CB-CD 4.46Å; L332-K341 HydrophobicContact CB-CG 4.42Å; L332-K341 HydrophobicContact CD1-CD 3.78Å; L332-K341 HydrophobicContact CD1-CG 3.9Å; L332-K341 PolarHBondContact N-O 2.87Å; L332-E343 HydrophobicContact CD1-CB 3.93Å; L332-E343 HydrophobicContact CD1-CG 3.45Å; L332-E343 VanDerWaalsContact CD1-CG 3.45Å; L332-E343 WeakPolarHBondContact CD1-OE1 3.34Å; L332-E343 HydrophobicContact CD2-CB 4.05Å; L332-E343 HydrophobicContact CD2-CG 4.23Å; L332-E343 WeakPolarHBondContact CD2-OE2 3.47Å; L332-E343 HydrophobicContact CG-CB 3.96Å; L332-E343 HydrophobicContact CG-CG 4.04Å
333	S	57.8	Low	59	Low	50 Å²	50	87.4 Å²	87.4	35%	0.35	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	131.9	178.8	58	0	0	0	0	110.1	K341	S333-K341 PolarHBondContact O-N 2.97Å
334	S	55.4	Low	59.7	Low	94 Å²	94	85.9 Å²	85.9	66%	0.657	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	106.3	157.9	52.5	0	0	0	0	108	G336	S334-G336 PolarHBondContact O-N 3.12Å
335	S	52.4	Low	60	Low	72 Å²	72	81.4 Å²	81.4	50%	0.503	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	102.1	168.1	-61	0	0	0	0	106.7	K337 G339	S335-K337 PolarHBondContact O-N 3.29Å; S335-G339 PolarHBondContact N-O 3.19Å; S335-G339 PolarHBondContact O-N 3.15Å
336	G	50.5	Low	60.4	Low	68 Å²	68	79.5 Å²	79.5	70%	0.701	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	134.1	176.8	0	0	0	0	0	111.2	S334	S334-G336 PolarHBondContact O-N 3.12Å
337	K	54.3	Low	60.7	Low	189 Å²	189	79.8 Å²	79.8	82%	0.822	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	56.6	-163.5	-54.5	178.4	-178.6	-177.9	0	114.4	S335 G339	S335-K337 PolarHBondContact O-N 3.29Å; K337-G339 VanDerWaalsContact C-N 3.31Å; K337-G339 PolarHBondContact O-N 3.05Å
338	G	53.4	Low	60.9	Low	27 Å²	27	74.6 Å²	74.6	28%	0.278	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	18.8	165.6	0	0	0	0	0	116.1
339	G	55.6	Low	61.2	Low	30 Å²	30	73.8 Å²	73.8	31%	0.309	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	111.9	178.8	0	0	0	0	0	112	S335 K337	S335-G339 PolarHBondContact N-O 3.19Å; S335-G339 PolarHBondContact O-N 3.15Å; K337-G339 VanDerWaalsContact C-N 3.31Å; K337-G339 PolarHBondContact O-N 3.05Å
340	F	59.8	Low	61.2	Low	99 Å²	99	72 Å²	72	43%	0.434	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	144.6	168.4	70.6	-79.7	0	0	0	110.7	E322	E322-F340 HydrophobicContact CB-CB 3.8Å; E322-F340 HydrophobicContact CB-CD1 3.38Å; E322-F340 HydrophobicContact CB-CD2 4.09Å; E322-F340 HydrophobicContact CB-CE1 3.88Å; E322-F340 HydrophobicContact CB-CG 3.48Å; E322-F340 VanDerWaalsContact CB-CG 3.48Å; E322-F340 HydrophobicContact CB-CZ 4.42Å; E322-F340 HydrophobicContact CG-CB 4.41Å; E322-F340 HydrophobicContact CG-CD1 3.35Å; E322-F340 HydrophobicContact CG-CE1 3.73Å; E322-F340 HydrophobicContact CG-CG 4Å
341	K	63.5	Low	61.3	Low	121 Å²	121	78.3 Å²	78.3	53%	0.526	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	117.1	169.5	-173.7	-178.6	177.4	-164.1	0	107.7	L332 S333	L332-K341 HydrophobicContact CB-CB 4.47Å; L332-K341 HydrophobicContact CB-CD 4.46Å; L332-K341 HydrophobicContact CB-CG 4.42Å; L332-K341 HydrophobicContact CD1-CD 3.78Å; L332-K341 HydrophobicContact CD1-CG 3.9Å; L332-K341 PolarHBondContact N-O 2.87Å; S333-K341 PolarHBondContact O-N 2.97Å
342	C	65.1	Low	61.6	Low	35 Å²	35	79.3 Å²	79.3	24%	0.236	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	146.5	168	-16	0	0	0	0	111.6	C326 K329 I330	C326-C342 HydrophobicContact CB-CB 4.29Å; C326-C342 WeakPolarHBondContact CB-SG 3.38Å; C326-C342 WeakPolarHBondContact SG-CB 3.44Å; C326-C342 CovalentContact SG-SG 2.11Å; C326-C342 PolarHBondContact SG-SG 3.2Å; K329-C342 HydrophobicContact CB-CB 3.57Å; K329-C342 HydrophobicContact CD-CB 3.96Å; K329-C342 HydrophobicContact CG-CB 4.03Å; I330-C342 CarbonylContact O-C 3.45Å; I330-C342 WeakPolarHBondContact O-CA 3.42Å; I330-C342 WeakPolarHBondContact O-CB 3.15Å
343	E	68	Low	61.9	Low	107 Å²	107	76.1 Å²	76.1	50%	0.5	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	158.3	164	-100.8	171.1	-157.7	0	0	109.4	K329 I330 L332	K329-E343 CarbonylContact C-O 3.57Å; K329-E343 WeakPolarHBondContact CA-O 3.46Å; I330-E343 PolarHBondContact N-O 3.03Å; I330-E343 PolarHBondContact O-N 3.29Å; L332-E343 HydrophobicContact CD1-CB 3.93Å; L332-E343 HydrophobicContact CD1-CG 3.45Å; L332-E343 VanDerWaalsContact CD1-CG 3.45Å; L332-E343 WeakPolarHBondContact CD1-OE1 3.34Å; L332-E343 HydrophobicContact CD2-CB 4.05Å; L332-E343 HydrophobicContact CD2-CG 4.23Å; L332-E343 WeakPolarHBondContact CD2-OE2 3.47Å; L332-E343 HydrophobicContact CG-CB 3.96Å; L332-E343 HydrophobicContact CG-CG 4.04Å
344	C	69.1	Low	62.3	Low	39 Å²	39	78.1 Å²	78.1	26%	0.264	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	145.2	175.9	-58.1	0	0	0	0	111.1	N328 Y348 C353	N328-C344 WeakPolarHBondContact O-CA 3.03Å; C344-Y348 VanDerWaalsContact CB-O 3.3Å; C344-Y348 WeakPolarHBondContact CB-O 3.05Å; C344-C353 WeakPolarHBondContact CA-SG 3.44Å; C344-C353 HydrophobicContact CB-CB 3.86Å; C344-C353 WeakPolarHBondContact CB-SG 3.46Å; C344-C353 WeakPolarHBondContact SG-CB 3.05Å; C344-C353 CovalentContact SG-SG 2.04Å; C344-C353 PolarHBondContact SG-SG 2.74Å
345	I	67	Low	62.7	Low	68 Å²	68	76.8 Å²	76.8	35%	0.349	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-59.9	142.1	168.3	-60.9	170.3	0	0	0	108.3	N328 I330 G347 Y348	N328-I345 PolarHBondContact O-N 3.44Å; I330-I345 HydrophobicContact CD1-CB 4.49Å; I330-I345 HydrophobicContact CD1-CG1 4.23Å; I330-I345 HydrophobicContact CG1-CB 4.27Å; I330-I345 HydrophobicContact CG1-CG1 3.57Å; I345-G347 PolarHBondContact O-N 2.9Å; I345-G347 VanDerWaalsContact O-N 3.17Å; I345-Y348 HydrophobicContact CB-CD2 4.44Å; I345-Y348 PolarHBondContact O-N 3.41Å
346	P	65	Low	63.1	Low	114 Å²	114	76.7 Å²	76.7	74%	0.74	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	123.8	173.9	-29	35.2	0	0	0	111.9
347	G	61.6	Low	63.4	Low	25 Å²	25	74.9 Å²	74.9	26%	0.258	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.9	-9.4	-172.9	0	0	0	0	0	114.6	I345 D356 A357	I345-G347 PolarHBondContact O-N 2.9Å; I345-G347 VanDerWaalsContact O-N 3.17Å; G347-D356 CarbonylContact O-C 3.47Å; G347-A357 WeakPolarHBondContact O-CB 3.34Å; G347-A357 PolarHBondContact O-N 2.94Å
348	Y	66.3	Low	63.4	Low	90 Å²	90	70.3 Å²	70.3	35%	0.353	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	150.2	175.6	-66.6	-89.9	0	0	0	112.4	N328 C344 I345 C353 E355	N328-Y348 HydrophobicContact CB-CD1 4.05Å; N328-Y348 HydrophobicContact CB-CD2 4.09Å; N328-Y348 HydrophobicContact CB-CE1 4.34Å; N328-Y348 HydrophobicContact CB-CE2 4.37Å; N328-Y348 HydrophobicContact CB-CG 3.91Å; N328-Y348 WeakPolarHBondContact ND2-CE1 3.27Å; C344-Y348 VanDerWaalsContact CB-O 3.3Å; C344-Y348 WeakPolarHBondContact CB-O 3.05Å; I345-Y348 HydrophobicContact CB-CD2 4.44Å; I345-Y348 PolarHBondContact O-N 3.41Å; Y348-C353 VanDerWaalsContact CD1-O 3.29Å; Y348-C353 WeakPolarHBondContact CD1-O 3.27Å; Y348-E355 CarbonylContact C-O 3.59Å; Y348-E355 VanDerWaalsContact CA-O 3.32Å; Y348-E355 WeakPolarHBondContact CA-O 3.19Å
349	T	69.2	Low	63.2	Low	45 Å²	45	74.1 Å²	74.1	28%	0.276	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	179.3	179.3	-169.5	0	0	0	0	110.3	C353 E355 A357 R360	T349-C353 CarbonylContact O-C 3.31Å; T349-C353 VanDerWaalsContact O-CA 3.25Å; T349-C353 WeakPolarHBondContact O-CA 3.47Å; T349-E355 HydrophobicContact CG2-CB 3.68Å; T349-E355 PolarHBondContact N-O 2.86Å; T349-E355 WeakPolarHBondContact O-CB 3.45Å; T349-E355 PolarHBondContact O-N 3.46Å; T349-A357 HydrophobicContact CG2-CB 4.04Å; T349-R360 HydrophobicContact CG2-CG 4.37Å; T349-R360 PolarHBondContact OG1-NH1 3.1Å
350	G	68.2	Low	62.8	Low	24 Å²	24	78.7 Å²	78.7	25%	0.247	41%	0.405	C	S	.	.	S	Bend	trans	90.1	166.5	-174.8	0	0	0	0	0	113.4	D352 C353 E355	G350-D352 PolarHBondContact O-N 3.12Å; G350-C353 PolarHBondContact O-N 3.16Å; G350-E355 WeakPolarHBondContact CA-OE2 3.29Å; G350-E355 PolarHBondContact N-OE2 2.92Å
351	K	66.1	Low	62.1	Low	213 Å²	213	81.2 Å²	81.2	93%	0.926	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.3	-175.1	-169.9	177.7	177.4	-177.1	0	112.9
352	D	65.8	Low	61.5	Low	84 Å²	84	80.6 Å²	80.6	45%	0.449	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	4.1	179.8	57.3	2.2	0	0	0	113.2	G350 T354	G350-D352 PolarHBondContact O-N 3.12Å; D352-T354 HydrophobicContact CB-CG2 4.03Å; D352-T354 PolarHBondContact O-N 3.24Å; D352-T354 WeakPolarHBondContact OD1-CB 3.19Å; D352-T354 WeakPolarHBondContact OD1-CG2 3.49Å; D352-T354 PolarHBondContact OD1-N 3.34Å; D352-T354 VanDerWaalsContact OD1-N 3.16Å; D352-T354 PolarHBondContact OD1-OG1 2.82Å; D352-T354 VanDerWaalsContact OD2-CG2 3.25Å; D352-T354 WeakPolarHBondContact OD2-CG2 3.29Å; D352-T354 PolarHBondContact OD2-OG1 2.77Å
353	C	66.1	Low	60.6	Low	4 Å²	4	82 Å²	82	3%	0.027	43%	0.43	C	S	.	.	S	Bend	trans	56.2	30.2	-174.9	-51.1	0	0	0	0	113.4	N328 K329 C344 Y348 T349 G350	N328-C353 HydrophobicContact CB-CB 4.04Å; N328-C353 WeakPolarHBondContact CB-O 3.37Å; N328-C353 PolarHBondContact ND2-O 3.44Å; N328-C353 WeakPolarHBondContact O-CB 3.39Å; K329-C353 WeakPolarHBondContact CE-SG 3.39Å; K329-C353 HydrophobicContact CG-CB 3.96Å; K329-C353 WeakPolarHBondContact CG-SG 3.41Å; C344-C353 WeakPolarHBondContact CA-SG 3.44Å; C344-C353 HydrophobicContact CB-CB 3.86Å; C344-C353 WeakPolarHBondContact CB-SG 3.46Å; C344-C353 WeakPolarHBondContact SG-CB 3.05Å; C344-C353 CovalentContact SG-SG 2.04Å; C344-C353 PolarHBondContact SG-SG 2.74Å; Y348-C353 VanDerWaalsContact CD1-O 3.29Å; Y348-C353 WeakPolarHBondContact CD1-O 3.27Å; T349-C353 CarbonylContact O-C 3.31Å; T349-C353 VanDerWaalsContact O-CA 3.25Å; T349-C353 WeakPolarHBondContact O-CA 3.47Å; G350-C353 PolarHBondContact O-N 3.16Å
354	T	65.4	Low	59.3	Low	92 Å²	92	82.1 Å²	82.1	56%	0.564	44%	0.438	S	S	*	.			trans	-88.2	-17.8	176	59.9	0	0	0	0	113.1	D352	D352-T354 HydrophobicContact CB-CG2 4.03Å; D352-T354 PolarHBondContact O-N 3.24Å; D352-T354 WeakPolarHBondContact OD1-CB 3.19Å; D352-T354 WeakPolarHBondContact OD1-CG2 3.49Å; D352-T354 PolarHBondContact OD1-N 3.34Å; D352-T354 VanDerWaalsContact OD1-N 3.16Å; D352-T354 PolarHBondContact OD1-OG1 2.82Å; D352-T354 VanDerWaalsContact OD2-CG2 3.25Å; D352-T354 WeakPolarHBondContact OD2-CG2 3.29Å; D352-T354 PolarHBondContact OD2-OG1 2.77Å
355	E	64.1	Low	57.8	Low	66 Å²	66	84.9 Å²	84.9	31%	0.308	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.4	-175.9	-57	172.8	132.5	0	0	108.8	Y348 T349 G350 A357 R360	Y348-E355 CarbonylContact C-O 3.59Å; Y348-E355 VanDerWaalsContact CA-O 3.32Å; Y348-E355 WeakPolarHBondContact CA-O 3.19Å; T349-E355 HydrophobicContact CG2-CB 3.68Å; T349-E355 PolarHBondContact N-O 2.86Å; T349-E355 WeakPolarHBondContact O-CB 3.45Å; T349-E355 PolarHBondContact O-N 3.46Å; G350-E355 WeakPolarHBondContact CA-OE2 3.29Å; G350-E355 PolarHBondContact N-OE2 2.92Å; E355-A357 PolarHBondContact O-N 3.1Å; E355-R360 IonicContact OE1-CZ 3.14Å; E355-R360 IonicContact OE1-NE 2.7Å; E355-R360 IonicContact OE1-NH2 2.81Å; E355-R360 PolarHBondContact OE1-NH2 2.92Å; E355-R360 IonicContact OE2-CZ 3.35Å; E355-R360 IonicContact OE2-NE 3.89Å; E355-R360 IonicContact OE2-NH1 2.73Å; E355-R360 PolarHBondContact OE2-NH1 3.09Å; E355-R360 IonicContact OE2-NH2 2.66Å; E355-R360 PolarHBondContact OE2-NH2 3.43Å
356	D	60.6	Low	56.6	Low	70 Å²	70	91.3 Å²	91.3	37%	0.374	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	116.3	171.4	-176.4	-16.4	0	0	0	108.7	G347 I358 F359 R360	G347-D356 CarbonylContact O-C 3.47Å; D356-I358 PolarHBondContact O-N 3.48Å; D356-I358 WeakPolarHBondContact OD1-CA 3.33Å; D356-I358 WeakPolarHBondContact OD1-CB 3.36Å; D356-I358 PolarHBondContact OD1-N 3.41Å; D356-F359 HydrophobicContact CB-CB 3.78Å; D356-F359 WeakPolarHBondContact O-CA 3.4Å; D356-F359 VanDerWaalsContact O-CB 3.3Å; D356-F359 WeakPolarHBondContact O-CB 3.28Å; D356-F359 PolarHBondContact O-N 3.12Å; D356-F359 PolarHBondContact OD1-N 2.71Å; D356-R360 PolarHBondContact O-N 3.09Å; D356-R360 VanDerWaalsContact O-N 3.13Å
357	A	58	Low	55.5	Low	31 Å²	31	90.7 Å²	90.7	26%	0.256	48%	0.477	S	S	.	.	H	α-helix	trans	-63.9	-25.8	178.3	0	0	0	0	0	111.6	G347 T349 E355 F359	G347-A357 WeakPolarHBondContact O-CB 3.34Å; G347-A357 PolarHBondContact O-N 2.94Å; T349-A357 HydrophobicContact CG2-CB 4.04Å; E355-A357 PolarHBondContact O-N 3.1Å; A357-F359 VanDerWaalsContact C-N 3.32Å
358	I	53.6	Low	55	Low	93 Å²	93	96.7 Å²	96.7	48%	0.477	50%	0.503	S	S	.	.	H	α-helix	trans	-70.5	-33.4	171.5	-53.9	175.7	0	0	0	109.6	D356 L361 K362	D356-I358 PolarHBondContact O-N 3.48Å; D356-I358 WeakPolarHBondContact OD1-CA 3.33Å; D356-I358 WeakPolarHBondContact OD1-CB 3.36Å; D356-I358 PolarHBondContact OD1-N 3.41Å; I358-L361 PolarHBondContact O-N 3.12Å; I358-K362 PolarHBondContact O-N 3.14Å
359	F	49.1	Very low	54.9	Low	107 Å²	107	95.6 Å²	95.6	47%	0.469	50%	0.503	S	S	.	.	H	α-helix	trans	-72.4	-34.3	176.9	-164.9	-97	0	0	0	113.2	D356 A357 L361 K362 S363	D356-F359 HydrophobicContact CB-CB 3.78Å; D356-F359 WeakPolarHBondContact O-CA 3.4Å; D356-F359 VanDerWaalsContact O-CB 3.3Å; D356-F359 WeakPolarHBondContact O-CB 3.28Å; D356-F359 PolarHBondContact O-N 3.12Å; D356-F359 PolarHBondContact OD1-N 2.71Å; A357-F359 VanDerWaalsContact C-N 3.32Å; F359-L361 VanDerWaalsContact C-N 3.26Å; F359-L361 PolarHBondContact O-N 3.28Å; F359-K362 CarbonylContact O-C 3.57Å; F359-K362 WeakPolarHBondContact O-CA 3.45Å; F359-K362 PolarHBondContact O-N 2.75Å; F359-S363 WeakPolarHBondContact O-CB 3.29Å; F359-S363 PolarHBondContact O-N 2.75Å; F359-S363 PolarHBondContact O-OG 2.96Å
360	R	46.3	Very low	54.6	Low	125 Å²	125	98.7 Å²	98.7	47%	0.472	52%	0.517	S	S	.	.	H	α-helix	trans	-66.5	-24.4	174.1	-85.4	-163.6	170.4	147.3	-6.9	114.1	T349 E355 D356 K362	T349-R360 HydrophobicContact CG2-CG 4.37Å; T349-R360 PolarHBondContact OG1-NH1 3.1Å; E355-R360 IonicContact OE1-CZ 3.14Å; E355-R360 IonicContact OE1-NE 2.7Å; E355-R360 IonicContact OE1-NH2 2.81Å; E355-R360 PolarHBondContact OE1-NH2 2.92Å; E355-R360 IonicContact OE2-CZ 3.35Å; E355-R360 IonicContact OE2-NE 3.89Å; E355-R360 IonicContact OE2-NH1 2.73Å; E355-R360 PolarHBondContact OE2-NH1 3.09Å; E355-R360 IonicContact OE2-NH2 2.66Å; E355-R360 PolarHBondContact OE2-NH2 3.43Å; D356-R360 PolarHBondContact O-N 3.09Å; D356-R360 VanDerWaalsContact O-N 3.13Å; R360-K362 VanDerWaalsContact C-N 3.32Å
361	L	46.2	Very low	55.2	Low	153 Å²	153	100.8 Å²	100.8	80%	0.801	52%	0.523	S	S	*	.	H	α-helix	trans	-76.9	-20	169.3	-73.3	165	0	0	0	112.6	I358 F359	I358-L361 PolarHBondContact O-N 3.12Å; F359-L361 VanDerWaalsContact C-N 3.26Å; F359-L361 PolarHBondContact O-N 3.28Å
362	K	50	Low	55.8	Low	107 Å²	107	92.6 Å²	92.6	47%	0.465	49%	0.487	S	S	.	.	H	α-helix	trans	-101.7	-12.8	-178.2	-72.8	178.9	175.2	178.9	0	114.7	E267 I358 F359 R360	E267-K362 IonicContact OE1-NZ 2.8Å; E267-K362 PolarHBondContact OE1-NZ 3.36Å; E267-K362 IonicContact OE2-NZ 2.92Å; E267-K362 PolarHBondContact OE2-NZ 2.99Å; E267-K362 VanDerWaalsContact OE2-NZ 3.14Å; I358-K362 PolarHBondContact O-N 3.14Å; F359-K362 CarbonylContact O-C 3.57Å; F359-K362 WeakPolarHBondContact O-CA 3.45Å; F359-K362 PolarHBondContact O-N 2.75Å; R360-K362 VanDerWaalsContact C-N 3.32Å
363	S	47.1	Very low	57	Low	65 Å²	65	89.7 Å²	89.7	46%	0.455	47%	0.473	S	S	.	.			trans	-105.4	3.2	-167.2	82.4	0	0	0	0	117.1	F359 S365	F359-S363 WeakPolarHBondContact O-CB 3.29Å; F359-S363 PolarHBondContact O-N 2.75Å; F359-S363 PolarHBondContact O-OG 2.96Å; S363-S365 PolarHBondContact O-N 2.87Å
364	T	41.5	Very low	57.9	Low	109 Å²	109	97.1 Å²	97.1	67%	0.669	51%	0.508	S	S	*	.	S	Bend	trans	-80.5	91.5	168.5	49.8	0	0	0	0	110.5
365	S	37.2	Very low	58.8	Low	97 Å²	97	95.1 Å²	95.1	68%	0.678	50%	0.498	S	S	*	.	S	Bend	trans	48.6	117.4	142.6	-168.3	0	0	0	0	118.8	S363	S363-S365 PolarHBondContact O-N 2.87Å
366	Y	41.3	Very low	60	Low	204 Å²	204	97.7 Å²	97.7	80%	0.8	52%	0.518	S	S	*	.	S	Bend	trans	66.8	100.5	163.6	-91.6	-105.7	0	0	0	116.7	L368	Y366-L368 PolarHBondContact O-N 3.32Å
367	S	42.8	Very low	61.2	Low	100 Å²	100	94.7 Å²	94.7	70%	0.699	50%	0.502	S	S	*	.			trans	51.4	38.3	144	60.6	0	0	0	0	118.5	D369	S367-D369 PolarHBondContact O-N 3.11Å
368	L	50.6	Low	62.8	Low	151 Å²	151	94.3 Å²	94.3	79%	0.791	50%	0.497	S	S	*	.			trans	-87.5	96.1	167	-77.8	160.4	0	0	0	108.9	Y366	Y366-L368 PolarHBondContact O-N 3.32Å
369	D	63.5	Low	64.6	Low	67 Å²	67	95 Å²	95	36%	0.358	50%	0.5	S	S	.	.			trans	-56.6	133.6	162.6	-169.8	22.6	0	0	0	109.5	S367 N386 K387 K388 A389	S367-D369 PolarHBondContact O-N 3.11Å; D369-N386 VanDerWaalsContact CG-ND2 3.26Å; D369-N386 PolarHBondContact OD2-ND2 3.35Å; D369-K387 VanDerWaalsContact OD1-O 3.05Å; D369-K388 WeakPolarHBondContact OD1-CA 3.47Å; D369-A389 PolarHBondContact OD1-N 3.14Å
370	I	62.6	Low	66.7	Low	110 Å²	110	93.3 Å²	93.3	56%	0.564	50%	0.496	S	S	*	.			trans	-79.8	128.3	172.9	-64.7	175.9	0	0	0	106.2	E372 N386	I370-E372 VanDerWaalsContact O-CD 3.24Å; I370-E372 PolarHBondContact O-N 3.08Å; I370-E372 VanDerWaalsContact O-OE2 3.13Å; I370-N386 PolarHBondContact O-ND2 3.2Å; I370-N386 PolarHBondContact O-OD1 2.93Å
371	D	80.7	Confident	68.8	Low	69 Å²	69	89.8 Å²	89.8	37%	0.369	50%	0.498	S	S	.	.			trans	-77	87	174.3	-176.3	6.3	0	0	0	110.5	C373 Q374 N386	D371-C373 PolarHBondContact O-N 3.47Å; D371-C373 WeakPolarHBondContact OD1-CA 3.15Å; D371-C373 WeakPolarHBondContact OD1-CB 3.14Å; D371-C373 PolarHBondContact OD1-N 3.42Å; D371-Q374 HydrophobicContact CB-CG 3.94Å; D371-Q374 WeakPolarHBondContact O-CB 3.2Å; D371-Q374 PolarHBondContact O-N 3.25Å; D371-Q374 VanDerWaalsContact O-N 3.14Å; D371-Q374 WeakPolarHBondContact OD2-CG 3.34Å; D371-N386 VanDerWaalsContact CA-OD1 3.27Å; D371-N386 WeakPolarHBondContact CA-OD1 3.47Å; D371-N386 PolarHBondContact OD1-OD1 2.88Å
372	E	80.4	Confident	71.1	Confident	40 Å²	40	83.1 Å²	83.1	19%	0.187	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-64	-19.3	177.7	-63.4	96.3	178.7	0	0	112.3	I370 Q374 S375 N386 A389 Y390 Y391	I370-E372 VanDerWaalsContact O-CD 3.24Å; I370-E372 PolarHBondContact O-N 3.08Å; I370-E372 VanDerWaalsContact O-OE2 3.13Å; E372-Q374 PolarHBondContact O-N 3.47Å; E372-S375 PolarHBondContact O-N 3.5Å; E372-S375 PolarHBondContact O-OG 2.92Å; E372-N386 PolarHBondContact N-OD1 3.34Å; E372-N386 PolarHBondContact OE2-OD1 2.86Å; E372-N386 VanDerWaalsContact OE2-OD1 3.05Å; E372-A389 WeakPolarHBondContact OE1-CA 3.36Å; E372-Y390 PolarHBondContact OE1-N 2.74Å; E372-Y390 WeakPolarHBondContact OE2-CA 3.17Å; E372-Y390 PolarHBondContact OE2-N 3.21Å; E372-Y390 VanDerWaalsContact OE2-O 3.09Å; E372-Y391 HydrophobicContact CB-CD1 3.82Å; E372-Y391 HydrophobicContact CB-CG 4.38Å
373	C	89.5	Confident	73.3	Confident	23 Å²	23	81.9 Å²	81.9	16%	0.155	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-68.7	-17.7	174.8	-67.6	0	0	0	0	113.6	D371 S375 T376 C384 H385 N386	D371-C373 PolarHBondContact O-N 3.47Å; D371-C373 WeakPolarHBondContact OD1-CA 3.15Å; D371-C373 WeakPolarHBondContact OD1-CB 3.14Å; D371-C373 PolarHBondContact OD1-N 3.42Å; C373-S375 PolarHBondContact O-N 3.09Å; C373-T376 PolarHBondContact O-N 3.35Å; C373-C384 WeakPolarHBondContact CA-SG 3.25Å; C373-C384 HydrophobicContact CB-CB 3.74Å; C373-C384 WeakPolarHBondContact CB-SG 3.42Å; C373-C384 WeakPolarHBondContact SG-CB 3.3Å; C373-C384 CovalentContact SG-SG 2.04Å; C373-C384 PolarHBondContact SG-SG 2.94Å; C373-H385 PolarHBondContact SG-N 3.02Å; C373-N386 PolarHBondContact SG-N 3.18Å
374	Q	86.2	Confident	75.5	Confident	160 Å²	160	80.4 Å²	80.4	75%	0.748	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-61.8	-24.4	173.3	-66.4	-142.7	-4.2	0	0	113.2	D371 E372 T376	D371-Q374 HydrophobicContact CB-CG 3.94Å; D371-Q374 WeakPolarHBondContact O-CB 3.2Å; D371-Q374 PolarHBondContact O-N 3.25Å; D371-Q374 VanDerWaalsContact O-N 3.14Å; D371-Q374 WeakPolarHBondContact OD2-CG 3.34Å; E372-Q374 PolarHBondContact O-N 3.47Å; Q374-T376 PolarHBondContact O-N 3.23Å
375	S	84.4	Confident	78	Confident	51 Å²	51	78.6 Å²	78.6	36%	0.357	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-84.7	9.4	176.2	71.5	0	0	0	0	113.9	K180 E372 C373	K180-S375 VanDerWaalsContact CE-OG 3.22Å; K180-S375 WeakPolarHBondContact CE-OG 3.4Å; K180-S375 VanDerWaalsContact NZ-CB 3.28Å; K180-S375 PolarHBondContact NZ-O 2.83Å; K180-S375 PolarHBondContact NZ-OG 2.82Å; E372-S375 PolarHBondContact O-N 3.5Å; E372-S375 PolarHBondContact O-OG 2.92Å; C373-S375 PolarHBondContact O-N 3.09Å
376	T	89.4	Confident	80.4	Confident	120 Å²	120	76.4 Å²	76.4	74%	0.736	42%	0.422	S	S	*	.			trans	42	60.5	-179.7	58.3	0	0	0	0	113.7	C373 Q374 C378	C373-T376 PolarHBondContact O-N 3.35Å; Q374-T376 PolarHBondContact O-N 3.23Å; T376-C378 PolarHBondContact O-N 3.06Å
377	P	85.6	Confident	82.4	Confident	7 Å²	7	70 Å²	70	5%	0.045	40%	0.398	C	S	.	.			trans	-75	-22.9	-170.6	29.9	-35.3	0	0	0	114.3	C384 Y391 N403	P377-C384 VanDerWaalsContact CG-SG 3.57Å; P377-Y391 HydrophobicContact CB-CD1 4.4Å; P377-Y391 HydrophobicContact CB-CD2 3.87Å; P377-Y391 HydrophobicContact CB-CE1 4.02Å; P377-Y391 HydrophobicContact CB-CE2 3.44Å; P377-Y391 VanDerWaalsContact CB-CE2 3.44Å; P377-Y391 HydrophobicContact CB-CG 4.34Å; P377-Y391 HydrophobicContact CG-CD1 4.07Å; P377-Y391 HydrophobicContact CG-CD2 3.39Å; P377-Y391 HydrophobicContact CG-CE1 4.2Å; P377-Y391 HydrophobicContact CG-CE2 3.55Å; P377-Y391 HydrophobicContact CG-CG 3.68Å; P377-N403 VanDerWaalsContact O-CB 3.3Å; P377-N403 WeakPolarHBondContact O-CB 3.39Å
378	C	92	Very high	83.9	Confident	22 Å²	22	73.1 Å²	73.1	15%	0.149	40%	0.399	C	S	.	.			trans	-83.3	118.1	-175.7	-49.9	0	0	0	0	112.2	T376 G382 C384 C393	T376-C378 PolarHBondContact O-N 3.06Å; C378-G382 WeakPolarHBondContact CB-O 3.09Å; C378-C384 WeakPolarHBondContact SG-CA 3.25Å; C378-C384 WeakPolarHBondContact SG-CB 3.45Å; C378-C393 WeakPolarHBondContact CA-SG 3.33Å; C378-C393 HydrophobicContact CB-CB 3.78Å; C378-C393 WeakPolarHBondContact CB-SG 3.38Å; C378-C393 WeakPolarHBondContact SG-CA 3.41Å; C378-C393 WeakPolarHBondContact SG-CB 3.37Å; C378-C393 CovalentContact SG-SG 2.02Å; C378-C393 PolarHBondContact SG-SG 3.25Å
379	M	91.2	Very high	84.5	Confident	107 Å²	107	69.8 Å²	69.8	53%	0.527	39%	0.394	S	S	.	.			trans	-83.5	173.6	176.6	-54.8	-172.1	82.3	0	0	111.9	G381 G382 N403 C404 E405	M379-G381 PolarHBondContact O-N 2.81Å; M379-G382 PolarHBondContact O-N 2.66Å; M379-N403 WeakPolarHBondContact CA-O 3.36Å; M379-N403 VanDerWaalsContact CB-O 3.29Å; M379-N403 WeakPolarHBondContact CB-O 3.44Å; M379-N403 HydrophobicContact CG-CB 4.45Å; M379-N403 PolarHBondContact N-O 2.92Å; M379-C404 WeakPolarHBondContact O-CB 3.29Å; M379-E405 HydrophobicContact SD-CB 3.76Å
380	N	93	Very high	85.1	Confident	72 Å²	72	72.4 Å²	72.4	39%	0.385	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	31.8	170.8	-63.8	-46.5	0	0	0	114.7	G382 F396 F399 C404	N380-G382 VanDerWaalsContact C-N 3.33Å; N380-F396 WeakPolarHBondContact O-CD2 3.16Å; N380-F399 HydrophobicContact CB-CB 4.47Å; N380-F399 HydrophobicContact CB-CD1 3.54Å; N380-F399 HydrophobicContact CB-CD2 3.85Å; N380-F399 HydrophobicContact CB-CE1 3.56Å; N380-F399 HydrophobicContact CB-CE2 3.86Å; N380-F399 HydrophobicContact CB-CG 3.68Å; N380-F399 HydrophobicContact CB-CZ 3.71Å; N380-F399 WeakPolarHBondContact ND2-CD1 3.38Å; N380-C404 PolarHBondContact ND2-O 3.37Å
381	G	90.5	Very high	86.2	Confident	51 Å²	51	68.9 Å²	68.9	53%	0.526	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	16.4	-179.4	0	0	0	0	0	114.7	M379 F396	M379-G381 PolarHBondContact O-N 2.81Å; G381-F396 VanDerWaalsContact O-CE2 3.25Å; G381-F396 WeakPolarHBondContact O-CE2 3.22Å
382	G	93.6	Very high	86.6	Confident	14 Å²	14	70 Å²	70	14%	0.144	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-61.7	142.9	173.5	0	0	0	0	0	112.4	C378 M379 N380 T394	C378-G382 WeakPolarHBondContact CB-O 3.09Å; M379-G382 PolarHBondContact O-N 2.66Å; N380-G382 VanDerWaalsContact C-N 3.33Å; G382-T394 CarbonylContact C-O 3.53Å; G382-T394 VanDerWaalsContact CA-O 3.23Å; G382-T394 WeakPolarHBondContact CA-O 3.01Å
383	T	95.4	Very high	87.3	Confident	80 Å²	80	69 Å²	69	49%	0.491	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.4	175.6	-56.6	0	0	0	0	109.8	C393 T394	T383-C393 WeakPolarHBondContact O-CA 3.2Å; T383-T394 PolarHBondContact N-O 3.05Å; T383-T394 PolarHBondContact O-N 3.17Å
384	C	95	Very high	87.6	Confident	35 Å²	35	71.4 Å²	71.4	24%	0.236	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.2	176.9	-167.4	0	0	0	0	111.3	C373 P377 C378	C373-C384 WeakPolarHBondContact CA-SG 3.25Å; C373-C384 HydrophobicContact CB-CB 3.74Å; C373-C384 WeakPolarHBondContact CB-SG 3.42Å; C373-C384 WeakPolarHBondContact SG-CB 3.3Å; C373-C384 CovalentContact SG-SG 2.04Å; C373-C384 PolarHBondContact SG-SG 2.94Å; P377-C384 VanDerWaalsContact CG-SG 3.57Å; C378-C384 WeakPolarHBondContact SG-CA 3.25Å; C378-C384 WeakPolarHBondContact SG-CB 3.45Å
385	H	93.4	Very high	87.9	Confident	71 Å²	71	65.5 Å²	65.5	33%	0.329	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118	172.5	-57.1	-65.1	0	0	0	109.7	C373 Y391 E392 T394	C373-H385 PolarHBondContact SG-N 3.02Å; H385-Y391 WeakPolarHBondContact O-CA 3.02Å; H385-E392 HydrophobicContact CB-CB 4.42Å; H385-E392 PolarHBondContact N-O 3.47Å; H385-E392 PolarHBondContact O-N 2.04Å; H385-T394 PolarHBondContact CD2-OG1 3.21Å; H385-T394 PolarHBondContact NE2-OG1 3.12Å
386	N	87.2	Confident	88.2	Confident	50 Å²	50	68.9 Å²	68.9	27%	0.267	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	138.7	173	-155.1	61.7	0	0	0	110.7	D369 I370 D371 E372 C373	D369-N386 VanDerWaalsContact CG-ND2 3.26Å; D369-N386 PolarHBondContact OD2-ND2 3.35Å; I370-N386 PolarHBondContact O-ND2 3.2Å; I370-N386 PolarHBondContact O-OD1 2.93Å; D371-N386 VanDerWaalsContact CA-OD1 3.27Å; D371-N386 WeakPolarHBondContact CA-OD1 3.47Å; D371-N386 PolarHBondContact OD1-OD1 2.88Å; E372-N386 PolarHBondContact N-OD1 3.34Å; E372-N386 PolarHBondContact OE2-OD1 2.86Å; E372-N386 VanDerWaalsContact OE2-OD1 3.05Å; C373-N386 PolarHBondContact SG-N 3.18Å
387	K	82.8	Confident	88.3	Confident	69 Å²	69	68.3 Å²	68.3	30%	0.3	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	163.1	174.9	-49	-74	-176.3	164.8	0	107.9	D369 A389 Y390 E392	D369-K387 VanDerWaalsContact OD1-O 3.05Å; K387-A389 PolarHBondContact O-N 2.59Å; K387-Y390 CarbonylContact C-O 3.34Å; K387-Y390 VanDerWaalsContact C-O 3.31Å; K387-Y390 VanDerWaalsContact CA-O 3.23Å; K387-Y390 WeakPolarHBondContact CA-O 3.28Å; K387-Y390 HydrophobicContact CB-CD1 3.79Å; K387-Y390 HydrophobicContact CB-CD2 4.06Å; K387-Y390 HydrophobicContact CB-CE1 3.43Å; K387-Y390 VanDerWaalsContact CB-CE1 3.43Å; K387-Y390 HydrophobicContact CB-CE2 3.74Å; K387-Y390 HydrophobicContact CB-CG 4.08Å; K387-Y390 WeakPolarHBondContact CB-O 3.03Å; K387-Y390 HydrophobicContact CG-CD2 4.13Å; K387-Y390 HydrophobicContact CG-CE1 4.16Å; K387-Y390 HydrophobicContact CG-CE2 3.57Å; K387-Y390 PolarHBondContact N-O 3.29Å; K387-Y390 PolarHBondContact O-N 2.84Å; K387-Y390 VanDerWaalsContact O-N 3.09Å; K387-E392 WeakPolarHBondContact CE-OE2 3.48Å; K387-E392 HydrophobicContact CG-CB 4.48Å; K387-E392 IonicContact NZ-OE2 3.13Å; K387-E392 PolarHBondContact NZ-OE2 3.36Å
388	K	74.3	Confident	88.5	Confident	166 Å²	166	74.5 Å²	74.5	72%	0.722	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	104.1	179.5	-164.2	173.9	-178.5	178.5	0	111.4	D369 Y390	D369-K388 WeakPolarHBondContact OD1-CA 3.47Å; K388-Y390 WeakPolarHBondContact O-CD1 3.36Å
389	A	63.2	Low	88.5	Confident	82 Å²	82	76.3 Å²	76.3	68%	0.678	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	15.9	-178.1	0	0	0	0	0	117.2	D369 E372 K387	D369-A389 PolarHBondContact OD1-N 3.14Å; E372-A389 WeakPolarHBondContact OE1-CA 3.36Å; K387-A389 PolarHBondContact O-N 2.59Å
390	Y	76.7	Confident	88.3	Confident	122 Å²	122	73.6 Å²	73.6	48%	0.478	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	167.4	173.1	70.5	-78	0	0	0	112.4	E372 K387 K388	E372-Y390 PolarHBondContact OE1-N 2.74Å; E372-Y390 WeakPolarHBondContact OE2-CA 3.17Å; E372-Y390 PolarHBondContact OE2-N 3.21Å; E372-Y390 VanDerWaalsContact OE2-O 3.09Å; K387-Y390 CarbonylContact C-O 3.34Å; K387-Y390 VanDerWaalsContact C-O 3.31Å; K387-Y390 VanDerWaalsContact CA-O 3.23Å; K387-Y390 WeakPolarHBondContact CA-O 3.28Å; K387-Y390 HydrophobicContact CB-CD1 3.79Å; K387-Y390 HydrophobicContact CB-CD2 4.06Å; K387-Y390 HydrophobicContact CB-CE1 3.43Å; K387-Y390 VanDerWaalsContact CB-CE1 3.43Å; K387-Y390 HydrophobicContact CB-CE2 3.74Å; K387-Y390 HydrophobicContact CB-CG 4.08Å; K387-Y390 WeakPolarHBondContact CB-O 3.03Å; K387-Y390 HydrophobicContact CG-CD2 4.13Å; K387-Y390 HydrophobicContact CG-CE1 4.16Å; K387-Y390 HydrophobicContact CG-CE2 3.57Å; K387-Y390 PolarHBondContact N-O 3.29Å; K387-Y390 PolarHBondContact O-N 2.84Å; K387-Y390 VanDerWaalsContact O-N 3.09Å; K388-Y390 WeakPolarHBondContact O-CD1 3.36Å
391	Y	85.4	Confident	87.9	Confident	36 Å²	36	71.5 Å²	71.5	14%	0.141	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	158.2	171.2	66.7	-82.4	0	0	0	112.8	E372 P377 H385 N403	E372-Y391 HydrophobicContact CB-CD1 3.82Å; E372-Y391 HydrophobicContact CB-CG 4.38Å; P377-Y391 HydrophobicContact CB-CD1 4.4Å; P377-Y391 HydrophobicContact CB-CD2 3.87Å; P377-Y391 HydrophobicContact CB-CE1 4.02Å; P377-Y391 HydrophobicContact CB-CE2 3.44Å; P377-Y391 VanDerWaalsContact CB-CE2 3.44Å; P377-Y391 HydrophobicContact CB-CG 4.34Å; P377-Y391 HydrophobicContact CG-CD1 4.07Å; P377-Y391 HydrophobicContact CG-CD2 3.39Å; P377-Y391 HydrophobicContact CG-CE1 4.2Å; P377-Y391 HydrophobicContact CG-CE2 3.55Å; P377-Y391 HydrophobicContact CG-CG 3.68Å; H385-Y391 WeakPolarHBondContact O-CA 3.02Å; Y391-N403 VanDerWaalsContact CE2-OD1 3.22Å; Y391-N403 WeakPolarHBondContact CE2-OD1 3.1Å; Y391-N403 PolarHBondContact OH-OD1 2.76Å
392	E	90	Very high	87.6	Confident	93 Å²	93	76.6 Å²	76.6	44%	0.435	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.1	173.3	-177.8	177.7	-157.8	0	0	110	H385 K387	H385-E392 HydrophobicContact CB-CB 4.42Å; H385-E392 PolarHBondContact N-O 3.47Å; H385-E392 PolarHBondContact O-N 2.04Å; K387-E392 WeakPolarHBondContact CE-OE2 3.48Å; K387-E392 HydrophobicContact CG-CB 4.48Å; K387-E392 IonicContact NZ-OE2 3.13Å; K387-E392 PolarHBondContact NZ-OE2 3.36Å
393	C	93.9	Very high	87.4	Confident	18 Å²	18	78 Å²	78	12%	0.122	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.3	176.6	-66.6	0	0	0	0	111.8	C378 T383 C395 R402	C378-C393 WeakPolarHBondContact CA-SG 3.33Å; C378-C393 HydrophobicContact CB-CB 3.78Å; C378-C393 WeakPolarHBondContact CB-SG 3.38Å; C378-C393 WeakPolarHBondContact SG-CA 3.41Å; C378-C393 WeakPolarHBondContact SG-CB 3.37Å; C378-C393 CovalentContact SG-SG 2.02Å; C378-C393 PolarHBondContact SG-SG 3.25Å; T383-C393 WeakPolarHBondContact O-CA 3.2Å; C393-C395 PolarHBondContact O-N 3.44Å; C393-R402 VanDerWaalsContact CB-O 3.3Å; C393-R402 WeakPolarHBondContact CB-O 3.28Å; C393-R402 PolarHBondContact SG-O 3.09Å
394	T	96	Very high	87.2	Confident	73 Å²	73	74.1 Å²	74.1	45%	0.448	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	106.6	169.9	-59.6	0	0	0	0	109.4	G382 T383 H385	G382-T394 CarbonylContact C-O 3.53Å; G382-T394 VanDerWaalsContact CA-O 3.23Å; G382-T394 WeakPolarHBondContact CA-O 3.01Å; T383-T394 PolarHBondContact N-O 3.05Å; T383-T394 PolarHBondContact O-N 3.17Å; H385-T394 PolarHBondContact CD2-OG1 3.21Å; H385-T394 PolarHBondContact NE2-OG1 3.12Å
395	C	93.4	Very high	86.9	Confident	37 Å²	37	76.5 Å²	76.5	25%	0.25	38%	0.384	C	S	.	.			trans	-83.9	145.5	-175	-52.8	0	0	0	0	113.3	C393 F399 C404	C393-C395 PolarHBondContact O-N 3.44Å; C395-F399 HydrophobicContact CB-CB 4.31Å; C395-C404 WeakPolarHBondContact CA-SG 3.38Å; C395-C404 HydrophobicContact CB-CB 3.67Å; C395-C404 WeakPolarHBondContact CB-SG 3.42Å; C395-C404 WeakPolarHBondContact SG-CA 3.28Å; C395-C404 WeakPolarHBondContact SG-CB 3.22Å; C395-C404 CovalentContact SG-SG 2.04Å; C395-C404 PolarHBondContact SG-SG 3.34Å
396	F	91.1	Very high	86.5	Confident	121 Å²	121	78 Å²	78	53%	0.531	39%	0.392	S	S	.	.			trans	-60.3	153.9	167.7	-81.5	-50.7	0	0	0	111.3	N380 G381 K398 F399	N380-F396 WeakPolarHBondContact O-CD2 3.16Å; G381-F396 VanDerWaalsContact O-CE2 3.25Å; G381-F396 WeakPolarHBondContact O-CE2 3.22Å; F396-K398 PolarHBondContact O-N 3.41Å; F396-F399 HydrophobicContact CB-CD2 4.01Å; F396-F399 PolarHBondContact O-N 3.04Å
397	P	90.5	Very high	86.3	Confident	108 Å²	108	78 Å²	78	70%	0.701	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-26.2	-171.3	-29.7	35.2	0	0	0	115.7	K408	P397-K408 WeakPolarHBondContact O-CD 3.27Å
398	K	90.6	Very high	86	Confident	138 Å²	138	80 Å²	80	60%	0.6	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	4.6	178.6	-65.1	-174.7	-179.2	178	0	114.1	F396 G407 K408	F396-K398 PolarHBondContact O-N 3.41Å; K398-G407 CarbonylContact O-C 3.59Å; K398-G407 WeakPolarHBondContact O-CA 2.92Å; K398-K408 PolarHBondContact O-N 2.78Å
399	F	91.7	Very high	85.5	Confident	60 Å²	60	77.7 Å²	77.7	26%	0.263	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	158.4	-178.5	-59.4	-83.1	0	0	0	112.1	N380 C395 F396 C404 M406	N380-F399 HydrophobicContact CB-CB 4.47Å; N380-F399 HydrophobicContact CB-CD1 3.54Å; N380-F399 HydrophobicContact CB-CD2 3.85Å; N380-F399 HydrophobicContact CB-CE1 3.56Å; N380-F399 HydrophobicContact CB-CE2 3.86Å; N380-F399 HydrophobicContact CB-CG 3.68Å; N380-F399 HydrophobicContact CB-CZ 3.71Å; N380-F399 WeakPolarHBondContact ND2-CD1 3.38Å; C395-F399 HydrophobicContact CB-CB 4.31Å; F396-F399 HydrophobicContact CB-CD2 4.01Å; F396-F399 PolarHBondContact O-N 3.04Å; F399-C404 HydrophobicContact CB-CB 4.26Å; F399-M406 CarbonylContact C-O 3.54Å; F399-M406 WeakPolarHBondContact CA-O 3.19Å
400	T	87.6	Confident	85.1	Confident	50 Å²	50	79.1 Å²	79.1	31%	0.307	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	172.9	-178.2	45	0	0	0	0	109.8	C404 E405 M406 K408	T400-C404 CarbonylContact O-C 3.58Å; T400-C404 VanDerWaalsContact O-C 3.22Å; T400-C404 WeakPolarHBondContact O-CA 3.1Å; T400-E405 PolarHBondContact O-N 3.4Å; T400-M406 PolarHBondContact N-O 3.16Å; T400-M406 WeakPolarHBondContact O-CA 3.29Å; T400-M406 WeakPolarHBondContact O-CB 3.02Å; T400-M406 PolarHBondContact O-N 3.04Å; T400-M406 WeakPolarHBondContact OG1-CB 3.24Å; T400-M406 PolarHBondContact OG1-O 3.11Å; T400-K408 HydrophobicContact CG2-CD 3.92Å; T400-K408 HydrophobicContact CG2-CG 3.57Å
401	G	83	Confident	83.8	Confident	27 Å²	27	76.2 Å²	76.2	28%	0.278	43%	0.425	S	S	.	.	S	Bend	trans	104	164.1	-177	0	0	0	0	0	111.3	N403 C404 E405	G401-N403 PolarHBondContact O-N 3.06Å; G401-C404 PolarHBondContact O-N 2.96Å; G401-E405 VanDerWaalsContact CA-OE1 3.3Å; G401-E405 WeakPolarHBondContact CA-OE1 3.37Å; G401-E405 WeakPolarHBondContact CA-OE2 3.31Å
402	R	85.1	Confident	81.9	Confident	159 Å²	159	84.3 Å²	84.3	60%	0.6	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-32	-176.2	-178.6	178.4	176.9	170.9	0.4	111.3	C393 E405	C393-R402 VanDerWaalsContact CB-O 3.3Å; C393-R402 WeakPolarHBondContact CB-O 3.28Å; C393-R402 PolarHBondContact SG-O 3.09Å; R402-E405 PolarHBondContact N-OE1 2.95Å; R402-E405 PolarHBondContact N-OE2 3.26Å
403	N	89.1	Confident	79.8	Confident	42 Å²	42	89.2 Å²	89.2	23%	0.225	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	16.3	-177.4	-63.7	-9.3	0	0	0	111.2	P377 M379 Y391 G401 E405	P377-N403 VanDerWaalsContact O-CB 3.3Å; P377-N403 WeakPolarHBondContact O-CB 3.39Å; M379-N403 WeakPolarHBondContact CA-O 3.36Å; M379-N403 VanDerWaalsContact CB-O 3.29Å; M379-N403 WeakPolarHBondContact CB-O 3.44Å; M379-N403 HydrophobicContact CG-CB 4.45Å; M379-N403 PolarHBondContact N-O 2.92Å; Y391-N403 VanDerWaalsContact CE2-OD1 3.22Å; Y391-N403 WeakPolarHBondContact CE2-OD1 3.1Å; Y391-N403 PolarHBondContact OH-OD1 2.76Å; G401-N403 PolarHBondContact O-N 3.06Å; N403-E405 VanDerWaalsContact CA-OE2 3.23Å; N403-E405 WeakPolarHBondContact CA-OE2 3.16Å; N403-E405 WeakPolarHBondContact CB-OE2 3.2Å; N403-E405 PolarHBondContact N-OE2 3.46Å; N403-E405 PolarHBondContact O-N 2.84Å
404	C	91.5	Very high	77.2	Confident	0 Å²	0	93.6 Å²	93.6	0%	0	51%	0.512	C	S	.	.	S	Bend	trans	60.8	25.5	-174.7	-46.5	0	0	0	0	114.5	M379 N380 C395 F399 T400 G401	M379-C404 WeakPolarHBondContact O-CB 3.29Å; N380-C404 PolarHBondContact ND2-O 3.37Å; C395-C404 WeakPolarHBondContact CA-SG 3.38Å; C395-C404 HydrophobicContact CB-CB 3.67Å; C395-C404 WeakPolarHBondContact CB-SG 3.42Å; C395-C404 WeakPolarHBondContact SG-CA 3.28Å; C395-C404 WeakPolarHBondContact SG-CB 3.22Å; C395-C404 CovalentContact SG-SG 2.04Å; C395-C404 PolarHBondContact SG-SG 3.34Å; F399-C404 HydrophobicContact CB-CB 4.26Å; T400-C404 CarbonylContact O-C 3.58Å; T400-C404 VanDerWaalsContact O-C 3.22Å; T400-C404 WeakPolarHBondContact O-CA 3.1Å; G401-C404 PolarHBondContact O-N 2.96Å
405	E	88.3	Confident	74.8	Confident	85 Å²	85	97.8 Å²	97.8	40%	0.397	53%	0.531	S	S	.	.			trans	-75	-22.6	-174.5	69.7	-75.6	177.8	0	0	114.2	M379 T400 G401 R402 N403	M379-E405 HydrophobicContact SD-CB 3.76Å; T400-E405 PolarHBondContact O-N 3.4Å; G401-E405 VanDerWaalsContact CA-OE1 3.3Å; G401-E405 WeakPolarHBondContact CA-OE1 3.37Å; G401-E405 WeakPolarHBondContact CA-OE2 3.31Å; R402-E405 PolarHBondContact N-OE1 2.95Å; R402-E405 PolarHBondContact N-OE2 3.26Å; N403-E405 VanDerWaalsContact CA-OE2 3.23Å; N403-E405 WeakPolarHBondContact CA-OE2 3.16Å; N403-E405 WeakPolarHBondContact CB-OE2 3.2Å; N403-E405 PolarHBondContact N-OE2 3.46Å; N403-E405 PolarHBondContact O-N 2.84Å
406	M	84.7	Confident	72.4	Confident	101 Å²	101	107 Å²	107	50%	0.498	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.3	128.5	-177	-61.5	-173.8	-79.6	0	0	111.4	F399 T400	F399-M406 CarbonylContact C-O 3.54Å; F399-M406 WeakPolarHBondContact CA-O 3.19Å; T400-M406 PolarHBondContact N-O 3.16Å; T400-M406 WeakPolarHBondContact O-CA 3.29Å; T400-M406 WeakPolarHBondContact O-CB 3.02Å; T400-M406 PolarHBondContact O-N 3.04Å; T400-M406 WeakPolarHBondContact OG1-CB 3.24Å; T400-M406 PolarHBondContact OG1-O 3.11Å
407	G	83.9	Confident	71.5	Confident	50 Å²	50	106.4 Å²	106.4	52%	0.515	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.1	131	170.5	0	0	0	0	0	112.2	K398 S409	K398-G407 CarbonylContact O-C 3.59Å; K398-G407 WeakPolarHBondContact O-CA 2.92Å; G407-S409 PolarHBondContact O-N 3.2Å; G407-S409 VanDerWaalsContact O-N 3.16Å
408	K	75.5	Confident	70.5	Confident	112 Å²	112	106.3 Å²	106.3	49%	0.487	57%	0.571	S	S	.	*			trans	-69.7	107.3	163.6	-64.9	-165.1	-167.4	165.8	0	107.9	P397 K398 T400 V410	P397-K408 WeakPolarHBondContact O-CD 3.27Å; K398-K408 PolarHBondContact O-N 2.78Å; T400-K408 HydrophobicContact CG2-CD 3.92Å; T400-K408 HydrophobicContact CG2-CG 3.57Å; K408-V410 PolarHBondContact O-N 2.85Å
409	S	64.2	Low	69.3	Low	118 Å²	118	104.5 Å²	104.5	83%	0.825	57%	0.57	S	S	*	*			trans	-56.2	103.7	165.6	-57.8	0	0	0	0	108.2	G407 G411	G407-S409 PolarHBondContact O-N 3.2Å; G407-S409 VanDerWaalsContact O-N 3.16Å; S409-G411 VanDerWaalsContact C-N 3.34Å; S409-G411 PolarHBondContact O-N 3.22Å
410	V	54.9	Low	68	Low	111 Å²	111	107.1 Å²	107.1	67%	0.673	59%	0.588	S	S	*	*			trans	-62.4	103.6	170	178.5	0	0	0	0	105.4	K408 K412	K408-V410 PolarHBondContact O-N 2.85Å; V410-K412 PolarHBondContact O-N 3.16Å
411	G	48.8	Very low	66.8	Low	62 Å²	62	110.7 Å²	110.7	64%	0.639	61%	0.605	S	S	*	*			trans	-51.8	116.5	170.4	0	0	0	0	0	107.2	S409 K413	S409-G411 VanDerWaalsContact C-N 3.34Å; S409-G411 PolarHBondContact O-N 3.22Å; G411-K413 PolarHBondContact O-N 3.04Å
412	K	45.3	Very low	65.7	Low	206 Å²	206	116.3 Å²	116.3	90%	0.896	63%	0.627	S	S	*	*			trans	-53.7	100.3	161.7	-84	-178.7	173.8	179.6	0	105.6	V410 S414	V410-K412 PolarHBondContact O-N 3.16Å; K412-S414 VanDerWaalsContact C-N 3.25Å; K412-S414 PolarHBondContact O-N 3.47Å
413	K	46.4	Very low	64.3	Low	195 Å²	195	113.2 Å²	113.2	85%	0.848	63%	0.629	S	S	*	*			trans	-59.8	104.7	152.5	-102.1	-175.5	174.4	-179.2	0	104.2	G411 L415	G411-K413 PolarHBondContact O-N 3.04Å; K413-L415 VanDerWaalsContact C-N 3.34Å; K413-L415 PolarHBondContact O-N 3.4Å
414	S	39.3	Very low	62.4	Low	111 Å²	111	118.7 Å²	118.7	78%	0.776	66%	0.66	S	S	*	*			trans	-54	104.6	162.6	-163	0	0	0	0	106.1	K412 I416	K412-S414 VanDerWaalsContact C-N 3.25Å; K412-S414 PolarHBondContact O-N 3.47Å; S414-I416 PolarHBondContact O-N 3.48Å
415	L	46.2	Very low	60	Low	161 Å²	161	128.6 Å²	128.6	84%	0.843	72%	0.715	S	S	*	*			trans	-74.9	114.8	159.5	-86.3	153.4	0	0	0	105.1	K413	K413-L415 VanDerWaalsContact C-N 3.34Å; K413-L415 PolarHBondContact O-N 3.4Å
416	I	42.8	Very low	57.4	Low	231 Å²	231	132.5 Å²	132.5	100%	1.185	74%	0.744	S	S	*	*			trans	12.2	0	160.3	-54.7	174.1	0	0	0	116	S414	S414-I416 PolarHBondContact O-N 3.48Å

Retrieved 416 of 416 residues in 107.5 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).