A0A077ZC66_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZC66, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 342 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.9	Very low	43.2	Very low	249 Å²	249	141.8 Å²	141.8	100%	1.227	80%	0.803	S	S	*	*				0	112.5	0	-81	177.2	161.4	0	0	108
2	G	44	Very low	42.8	Very low	68 Å²	68	143.3 Å²	143.3	70%	0.701	81%	0.807	S	S	*	*			trans	56.2	171.2	172.8	0	0	0	0	0	118.2
3	N	40.8	Very low	42	Very low	160 Å²	160	143.5 Å²	143.5	86%	0.856	81%	0.805	S	S	*	*			cis	-173.3	148.2	-24.4	-104.9	4.3	0	0	0	106.7
4	V	44	Very low	41.5	Very low	129 Å²	129	142.5 Å²	142.5	78%	0.782	80%	0.804	S	S	*	*			cis	-154.1	156.4	-10.4	100.1	0	0	0	0	107.9
5	S	44.2	Very low	40.8	Very low	121 Å²	121	141.5 Å²	141.5	85%	0.846	80%	0.803	S	S	*	*			trans	-92.3	156.2	-176.9	-66	0	0	0	0	114.3
6	R	45.9	Very low	40.3	Very low	222 Å²	222	144.8 Å²	144.8	84%	0.838	81%	0.806	S	S	*	*			trans	-90.7	139.6	-177.8	-92.6	178.6	167.2	152	-3.5	113.7
7	Q	48.6	Very low	39.8	Very low	147 Å²	147	142.1 Å²	142.1	69%	0.687	80%	0.799	S	S	*	*			trans	67.6	119.3	134.7	-67.4	178.4	-68.7	0	0	121.3
8	N	43.1	Very low	39.4	Very low	119 Å²	119	143.4 Å²	143.4	64%	0.636	80%	0.798	S	S	*	*			trans	68.8	141.6	135.7	-58.5	38.2	0	0	0	118.5
9	E	42.7	Very low	39.1	Very low	162 Å²	162	146.4 Å²	146.4	76%	0.757	81%	0.808	S	S	*	*			cis	-157.1	166.7	-12	-117.8	160.7	150.6	0	0	108.8
10	S	41	Very low	38.8	Very low	117 Å²	117	148.7 Å²	148.7	82%	0.818	81%	0.812	S	S	*	*			trans	-59.2	160.8	168	44.5	0	0	0	0	112.1
11	G	36.7	Very low	38.5	Very low	66 Å²	66	148.8 Å²	148.8	68%	0.68	81%	0.812	S	S	*	*			cis	130.3	141.2	15.8	0	0	0	0	0	109.7
12	D	38.4	Very low	38.1	Very low	159 Å²	159	144.3 Å²	144.3	85%	0.85	79%	0.792	S	S	*	*			trans	74.2	116	172.2	-57.3	-8.7	0	0	0	120.5
13	D	32.3	Very low	37.5	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	80%	0.795	S	S	*	*			trans	23.5	117.5	134.3	-60.1	-15.5	0	0	0	120.3
14	T	35.3	Very low	36.9	Very low	130 Å²	130	146 Å²	146	80%	0.798	79%	0.791	S	S	*	*				175.7	136.4	112.5	28.5	0	0	0	0	113.8
15	T	30.7	Very low	36.4	Very low	128 Å²	128	148 Å²	148	79%	0.785	80%	0.796	S	S	*	*			trans	33.8	110.8	149.9	58.8	0	0	0	0	121.4
16	F	32.8	Very low	35.9	Very low	193 Å²	193	147.6 Å²	147.6	85%	0.846	79%	0.794	S	S	*	*			trans	-149.2	109.1	155.5	-123.4	-95.6	0	0	0	104.1
17	S	32.2	Very low	35.3	Very low	99 Å²	99	146.7 Å²	146.7	69%	0.692	80%	0.799	S	S	*	*			cis	66.5	136	35.7	-151.9	0	0	0	0	114.1
18	E	32.7	Very low	34.4	Very low	166 Å²	166	142.7 Å²	142.7	78%	0.776	80%	0.797	S	S	*	*			trans	73.3	81.8	174.4	-55.2	-172.5	148.7	0	0	118
19	M	33.1	Very low	33.8	Very low	201 Å²	201	146 Å²	146	99%	0.99	81%	0.808	S	S	*	*				-161.1	55.2	121.5	-107.9	176.2	-172.4	0	0	111.9
20	E	33.6	Very low	33.4	Very low	192 Å²	192	144.8 Å²	144.8	90%	0.897	81%	0.807	S	S	*	*			trans	-115.6	92	161.9	-72.8	-172.9	152.4	0	0	108.1
21	D	33	Very low	33.3	Very low	150 Å²	150	144.5 Å²	144.5	80%	0.802	81%	0.812	S	S	*	*			trans	-166.4	160.4	159.5	-127	-29.4	0	0	0	111.5
22	L	34.6	Very low	33.7	Very low	156 Å²	156	144.9 Å²	144.9	82%	0.817	81%	0.805	S	S	*	*			trans	76.7	116.2	-174.6	-51.1	167.4	0	0	0	114.9
23	C	31.5	Very low	34.2	Very low	114 Å²	114	141 Å²	141	77%	0.77	79%	0.79	S	S	*	*			cis	-142.4	130	3.4	-95.8	0	0	0	0	112.4
24	I	29.6	Very low	35	Very low	150 Å²	150	142 Å²	142	77%	0.769	79%	0.79	S	S	*	*			trans	-58.9	135.7	156.8	-61.5	160.5	0	0	0	108.9
25	L	31.9	Very low	35.5	Very low	169 Å²	169	141.8 Å²	141.8	89%	0.885	78%	0.784	S	S	*	*			trans	163.4	95	137.1	-89.3	173.7	0	0	0	111.2
26	S	35.2	Very low	36.6	Very low	114 Å²	114	138.9 Å²	138.9	80%	0.797	77%	0.766	S	S	*	*				160.8	93.1	127.8	-169	0	0	0	0	110
27	E	31.4	Very low	37.4	Very low	203 Å²	203	134 Å²	134	95%	0.949	75%	0.748	S	S	*	*			trans	-65.7	135.1	157.3	-65.8	174.7	121.8	0	0	108.3
28	G	31.4	Very low	38.2	Very low	62 Å²	62	134.3 Å²	134.3	64%	0.639	74%	0.742	S	S	*	*			trans	175.6	87.9	-175.1	0	0	0	0	0	112.1
29	E	29.7	Very low	39.1	Very low	188 Å²	188	130.3 Å²	130.3	88%	0.879	73%	0.73	S	S	*	*			trans	29.2	109.7	146.4	-58.8	174.2	118.5	0	0	118.7
30	D	35.1	Very low	39.9	Very low	137 Å²	137	122.1 Å²	122.1	73%	0.733	69%	0.689	S	S	*	*			trans	-174.9	53.2	136.2	-100.1	-22.7	0	0	0	114.1	S32	D30-S32 PolarHBondContact O-N 2.7Å
31	A	37.3	Very low	40.9	Very low	112 Å²	112	116.3 Å²	116.3	93%	0.926	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	43.3	176	0	0	0	0	0	113.6
32	S	46.3	Very low	41.9	Very low	74 Å²	74	114.6 Å²	114.6	52%	0.517	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.3	-8.6	-171.6	71	0	0	0	0	115.8	D30 T36	D30-S32 PolarHBondContact O-N 2.7Å; S32-T36 PolarHBondContact O-OG1 3.1Å
33	S	48.4	Very low	42.6	Very low	78 Å²	78	114.6 Å²	114.6	55%	0.545	65%	0.65	S	S	.	*	S	Bend	trans	-89.5	-39.8	-169.8	57.2	0	0	0	0	114.7	T36	S33-T36 PolarHBondContact O-N 2.92Å
34	E	48.8	Very low	43.3	Very low	166 Å²	166	111.6 Å²	111.6	78%	0.776	63%	0.629	S	S	*	*	H	α-helix	trans	-69.5	-41.6	-175.5	-66.9	-160.7	123.6	0	0	113.4	T36 L37	E34-T36 PolarHBondContact O-N 2.96Å; E34-T36 VanDerWaalsContact O-N 3.14Å; E34-L37 PolarHBondContact O-N 2.85Å; E34-L37 VanDerWaalsContact O-N 3.15Å
35	D	46.8	Very low	44.4	Very low	125 Å²	125	106.7 Å²	106.7	67%	0.668	60%	0.603	S	S	*	*	H	α-helix	trans	-62.8	-22.1	179.5	-86	-26.8	0	0	0	113.2	P39	D35-P39 WeakPolarHBondContact O-CD 3.49Å
36	T	53	Low	45.1	Very low	68 Å²	68	100.6 Å²	100.6	42%	0.417	58%	0.581	S	S	.	*	H	α-helix	trans	-74.5	-25	179.6	-58.8	0	0	0	0	112.5	S32 S33 E34 P39	S32-T36 PolarHBondContact O-OG1 3.1Å; S33-T36 PolarHBondContact O-N 2.92Å; E34-T36 PolarHBondContact O-N 2.96Å; E34-T36 VanDerWaalsContact O-N 3.14Å; T36-P39 WeakPolarHBondContact O-CD 3.35Å; T36-P39 WeakPolarHBondContact O-CG 3.38Å
37	L	50.3	Low	45.9	Very low	90 Å²	90	103.5 Å²	103.5	47%	0.471	58%	0.575	S	S	.	*	H	α-helix	trans	-84.9	-26.4	-178.1	-64.6	177.4	0	0	0	113.5	E34 F40 T41	E34-L37 PolarHBondContact O-N 2.85Å; E34-L37 VanDerWaalsContact O-N 3.15Å; L37-F40 PolarHBondContact O-N 2.75Å; L37-T41 WeakPolarHBondContact O-CG2 3.22Å; L37-T41 PolarHBondContact O-N 3.26Å; L37-T41 PolarHBondContact O-OG1 3.25Å
38	L	48.2	Very low	46.8	Very low	105 Å²	105	97.5 Å²	97.5	55%	0.55	55%	0.549	S	S	.	.	H	α-helix	trans	-58.9	-47.4	178.8	-64	178.9	0	0	0	114	F40 T41 V42	L38-F40 VanDerWaalsContact C-N 3.3Å; L38-F40 PolarHBondContact O-N 3.39Å; L38-T41 PolarHBondContact O-N 2.8Å; L38-T41 PolarHBondContact O-OG1 3.19Å; L38-V42 WeakPolarHBondContact O-CG2 3.38Å; L38-V42 PolarHBondContact O-N 3.24Å
39	P	52.1	Low	47.9	Very low	83 Å²	83	96.4 Å²	96.4	54%	0.539	53%	0.528	S	S	.	.	H	α-helix	trans	-66.1	-30.1	176	24.6	-33.5	0	0	0	113.3	D35 T36 R43	D35-P39 WeakPolarHBondContact O-CD 3.49Å; T36-P39 WeakPolarHBondContact O-CD 3.35Å; T36-P39 WeakPolarHBondContact O-CG 3.38Å; P39-R43 WeakPolarHBondContact O-CB 3.17Å; P39-R43 PolarHBondContact O-N 2.84Å
40	F	51	Low	49.2	Very low	29 Å²	29	88.9 Å²	88.9	13%	0.127	50%	0.498	C	S	.	.	H	α-helix	trans	-68.1	-48.8	176.5	170.4	-101.2	0	0	0	112	L37 L38 V42 R43 V44 M45 T127 Y130	L37-F40 PolarHBondContact O-N 2.75Å; L38-F40 VanDerWaalsContact C-N 3.3Å; L38-F40 PolarHBondContact O-N 3.39Å; F40-V42 PolarHBondContact O-N 2.97Å; F40-R43 PolarHBondContact O-N 2.97Å; F40-V44 HydrophobicContact CD2-CB 4.11Å; F40-V44 HydrophobicContact CD2-CG2 3.79Å; F40-V44 HydrophobicContact CE2-CB 3.87Å; F40-V44 HydrophobicContact CE2-CG1 4.08Å; F40-V44 HydrophobicContact CE2-CG2 3.82Å; F40-V44 HydrophobicContact CZ-CB 4.47Å; F40-V44 PolarHBondContact O-N 3.36Å; F40-M45 HydrophobicContact CE1-SD 4.44Å; F40-T127 HydrophobicContact CZ-CG2 4.42Å; F40-Y130 HydrophobicContact CD1-CE1 4.46Å; F40-Y130 HydrophobicContact CD2-CD1 4.05Å; F40-Y130 AromaticContact CD2-CD2 3.8Å; F40-Y130 HydrophobicContact CD2-CD2 3.8Å; F40-Y130 AromaticContact CD2-CE1 3.88Å; F40-Y130 HydrophobicContact CD2-CE1 3.88Å; F40-Y130 AromaticContact CD2-CE2 3.61Å; F40-Y130 HydrophobicContact CD2-CE2 3.61Å; F40-Y130 HydrophobicContact CD2-CG 4.01Å; F40-Y130 AromaticContact CD2-CZ 3.65Å; F40-Y130 HydrophobicContact CE1-CD1 4.38Å; F40-Y130 AromaticContact CE2-CD1 3.66Å; F40-Y130 HydrophobicContact CE2-CD1 3.66Å; F40-Y130 AromaticContact CE2-CD2 3.56Å; F40-Y130 HydrophobicContact CE2-CD2 3.56Å; F40-Y130 AromaticContact CE2-CE1 3.98Å; F40-Y130 HydrophobicContact CE2-CE1 3.98Å; F40-Y130 AromaticContact CE2-CE2 3.89Å; F40-Y130 HydrophobicContact CE2-CE2 3.89Å; F40-Y130 AromaticContact CE2-CG 3.43Å; F40-Y130 HydrophobicContact CE2-CG 3.43Å; F40-Y130 VanDerWaalsContact CE2-CG 3.43Å; F40-Y130 HydrophobicContact CG-CE1 4.13Å; F40-Y130 HydrophobicContact CG-CE2 4.46Å; F40-Y130 AromaticContact CZ-CD1 3.84Å; F40-Y130 HydrophobicContact CZ-CD1 3.84Å; F40-Y130 HydrophobicContact CZ-CD2 4.48Å; F40-Y130 HydrophobicContact CZ-CE1 4.33Å; F40-Y130 AromaticContact CZ-CG 3.93Å; F40-Y130 HydrophobicContact CZ-CG 3.93Å
41	T	53.3	Low	50.2	Low	69 Å²	69	83.9 Å²	83.9	42%	0.423	47%	0.47	S	S	.	.	H	α-helix	trans	-61.6	-28.8	178.2	55.9	0	0	0	0	112.8	L37 L38 M45	L37-T41 WeakPolarHBondContact O-CG2 3.22Å; L37-T41 PolarHBondContact O-N 3.26Å; L37-T41 PolarHBondContact O-OG1 3.25Å; L38-T41 PolarHBondContact O-N 2.8Å; L38-T41 PolarHBondContact O-OG1 3.19Å; T41-M45 WeakPolarHBondContact O-CB 3.34Å
42	V	53.9	Low	51.1	Low	114 Å²	114	80.1 Å²	80.1	69%	0.691	43%	0.434	S	S	*	.	H	α-helix	trans	-79.7	-47.7	173.9	177.8	0	0	0	0	112.2	L38 F40	L38-V42 WeakPolarHBondContact O-CG2 3.38Å; L38-V42 PolarHBondContact O-N 3.24Å; F40-V42 PolarHBondContact O-N 2.97Å
43	R	49.7	Very low	51.4	Low	156 Å²	156	84.6 Å²	84.6	59%	0.589	44%	0.444	S	S	*	.	H	α-helix	trans	-82.2	-36.7	-167.8	-165.8	173.2	-177.7	-178.1	-0.8	114.8	P39 F40 E252	P39-R43 WeakPolarHBondContact O-CB 3.17Å; P39-R43 PolarHBondContact O-N 2.84Å; F40-R43 PolarHBondContact O-N 2.97Å; R43-E252 IonicContact NH2-OE1 3.41Å; R43-E252 PolarHBondContact NH2-OE1 3.45Å
44	V	47.2	Very low	51.7	Low	52 Å²	52	84 Å²	84	32%	0.315	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-49.4	-175.4	-179.4	0	0	0	0	111.3	F40 G46	F40-V44 HydrophobicContact CD2-CB 4.11Å; F40-V44 HydrophobicContact CD2-CG2 3.79Å; F40-V44 HydrophobicContact CE2-CB 3.87Å; F40-V44 HydrophobicContact CE2-CG1 4.08Å; F40-V44 HydrophobicContact CE2-CG2 3.82Å; F40-V44 HydrophobicContact CZ-CB 4.47Å; F40-V44 PolarHBondContact O-N 3.36Å; V44-G46 VanDerWaalsContact C-N 3.35Å; V44-G46 PolarHBondContact O-N 2.93Å
45	M	51.2	Low	51.8	Low	47 Å²	47	77.4 Å²	77.4	23%	0.232	41%	0.409	C	S	.	.	H	α-helix	trans	-67.5	-36.4	-177.6	-51.6	-73.6	-98	0	0	111.5	F40 T41 R47 N48 I49 L123 T127	F40-M45 HydrophobicContact CE1-SD 4.44Å; T41-M45 WeakPolarHBondContact O-CB 3.34Å; M45-R47 PolarHBondContact O-N 3.47Å; M45-N48 PolarHBondContact O-N 2.78Å; M45-I49 HydrophobicContact CB-CD1 3.81Å; M45-I49 HydrophobicContact CB-CG1 4.19Å; M45-I49 HydrophobicContact CE-CD1 3.6Å; M45-I49 HydrophobicContact CG-CD1 4.36Å; M45-I49 WeakPolarHBondContact O-CB 3.28Å; M45-I49 WeakPolarHBondContact O-CG1 3.32Å; M45-I49 PolarHBondContact O-N 3.49Å; M45-I49 HydrophobicContact SD-CD1 3.9Å; M45-L123 HydrophobicContact CE-CD1 3.95Å; M45-L123 HydrophobicContact SD-CD1 3.61Å; M45-T127 HydrophobicContact SD-CG2 4.22Å
46	G	48	Very low	51.9	Low	41 Å²	41	78.9 Å²	78.9	42%	0.423	42%	0.417	S	S	.	.	H	α-helix	trans	-57	-24.5	-176.8	0	0	0	0	0	115.4	V44	V44-G46 VanDerWaalsContact C-N 3.35Å; V44-G46 PolarHBondContact O-N 2.93Å
47	R	50.1	Low	51.9	Low	175 Å²	175	77.8 Å²	77.8	66%	0.66	41%	0.411	S	S	*	.	H	α-helix	trans	-92.3	-49.7	179.6	-66	174.2	176.5	164.7	-5.3	112.3	M45 A50	M45-R47 PolarHBondContact O-N 3.47Å; R47-A50 WeakPolarHBondContact O-CB 3.42Å; R47-A50 PolarHBondContact O-N 3.49Å
48	N	50.7	Low	52.2	Low	76 Å²	76	76.5 Å²	76.5	41%	0.406	42%	0.419	S	S	.	.	H	α-helix	trans	-76.4	-28.7	-177.8	-70.8	-38.6	0	0	0	113.6	M45 A50	M45-N48 PolarHBondContact O-N 2.78Å; N48-A50 VanDerWaalsContact C-N 3.33Å
49	I	55.8	Low	52.7	Low	39 Å²	39	73.6 Å²	73.6	20%	0.2	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.1	177.3	-52.4	-167.7	0	0	0	110.9	M45 F51 L52 K53 L123	M45-I49 HydrophobicContact CB-CD1 3.81Å; M45-I49 HydrophobicContact CB-CG1 4.19Å; M45-I49 HydrophobicContact CE-CD1 3.6Å; M45-I49 HydrophobicContact CG-CD1 4.36Å; M45-I49 WeakPolarHBondContact O-CB 3.28Å; M45-I49 WeakPolarHBondContact O-CG1 3.32Å; M45-I49 PolarHBondContact O-N 3.49Å; M45-I49 HydrophobicContact SD-CD1 3.9Å; I49-F51 PolarHBondContact O-N 2.9Å; I49-F51 VanDerWaalsContact O-N 3.13Å; I49-L52 HydrophobicContact CG2-CB 3.72Å; I49-L52 HydrophobicContact CG2-CD1 4.2Å; I49-L52 HydrophobicContact CG2-CG 4.5Å; I49-L52 CarbonylContact O-C 3.57Å; I49-L52 WeakPolarHBondContact O-CA 3.5Å; I49-L52 PolarHBondContact O-N 3.11Å; I49-K53 WeakPolarHBondContact O-CB 3.44Å; I49-K53 PolarHBondContact O-N 3.4Å; I49-L123 HydrophobicContact CD1-CD1 3.68Å; I49-L123 HydrophobicContact CD1-CD2 3.75Å; I49-L123 HydrophobicContact CD1-CG 4.38Å; I49-L123 HydrophobicContact CG1-CD1 3.92Å; I49-L123 HydrophobicContact CG1-CD2 4.18Å
50	A	56.8	Low	53.1	Low	30 Å²	30	70 Å²	70	25%	0.248	38%	0.38	C	S	.	.	H	α-helix	trans	-53.2	-39.3	178.7	0	0	0	0	0	112.7	R47 N48 K53 S54	R47-A50 WeakPolarHBondContact O-CB 3.42Å; R47-A50 PolarHBondContact O-N 3.49Å; N48-A50 VanDerWaalsContact C-N 3.33Å; A50-K53 PolarHBondContact O-N 2.9Å; A50-S54 PolarHBondContact O-N 3.35Å
51	F	56.6	Low	54.1	Low	32 Å²	32	74 Å²	74	14%	0.14	40%	0.402	C	S	.	.	H	α-helix	trans	-56.9	-55.2	169.9	177.2	-95.8	0	0	0	111.6	I49 K53 S54 H55 R115 F116 T119 V331	I49-F51 PolarHBondContact O-N 2.9Å; I49-F51 VanDerWaalsContact O-N 3.13Å; F51-K53 PolarHBondContact O-N 3.03Å; F51-S54 PolarHBondContact O-OG 3.43Å; F51-S54 VanDerWaalsContact O-OG 3.07Å; F51-H55 PolarHBondContact O-CD2 3.18Å; F51-R115 HydrophobicContact CE2-CG 3.81Å; F51-R115 HydrophobicContact CZ-CB 4.39Å; F51-R115 HydrophobicContact CZ-CG 3.78Å; F51-F116 AromaticContact CE1-CD1 3.65Å; F51-F116 HydrophobicContact CE1-CD1 3.65Å; F51-F116 HydrophobicContact CE1-CD2 4Å; F51-F116 AromaticContact CE1-CE1 3.66Å; F51-F116 HydrophobicContact CE1-CE1 3.66Å; F51-F116 HydrophobicContact CE1-CE2 4.01Å; F51-F116 AromaticContact CE1-CG 3.82Å; F51-F116 HydrophobicContact CE1-CG 3.82Å; F51-F116 AromaticContact CE1-CZ 3.84Å; F51-F116 HydrophobicContact CE1-CZ 3.84Å; F51-F116 HydrophobicContact CZ-CD1 4.35Å; F51-F116 AromaticContact CZ-CD2 3.92Å; F51-F116 HydrophobicContact CZ-CD2 3.92Å; F51-F116 HydrophobicContact CZ-CE1 4.19Å; F51-F116 AromaticContact CZ-CE2 3.74Å; F51-F116 HydrophobicContact CZ-CE2 3.74Å; F51-F116 HydrophobicContact CZ-CG 4.22Å; F51-F116 AromaticContact CZ-CZ 3.88Å; F51-F116 HydrophobicContact CZ-CZ 3.88Å; F51-T119 HydrophobicContact CB-CG2 4.38Å; F51-T119 HydrophobicContact CD1-CG2 3.95Å; F51-T119 HydrophobicContact CG-CG2 4.49Å; F51-V331 HydrophobicContact CD2-CG1 4.04Å; F51-V331 HydrophobicContact CD2-CG2 4.12Å; F51-V331 HydrophobicContact CE2-CB 4.27Å; F51-V331 HydrophobicContact CE2-CG1 3.76Å; F51-V331 HydrophobicContact CE2-CG2 3.44Å; F51-V331 VanDerWaalsContact CE2-CG2 3.44Å; F51-V331 HydrophobicContact CZ-CG2 4Å
52	L	54.4	Low	55.3	Low	33 Å²	33	71.5 Å²	71.5	17%	0.173	39%	0.387	C	S	.	.	H	α-helix	trans	-67.6	-18.7	179.1	-61.6	172.7	0	0	0	113.7	I49 V64 F116 T119 L120 L123	I49-L52 HydrophobicContact CG2-CB 3.72Å; I49-L52 HydrophobicContact CG2-CD1 4.2Å; I49-L52 HydrophobicContact CG2-CG 4.5Å; I49-L52 CarbonylContact O-C 3.57Å; I49-L52 WeakPolarHBondContact O-CA 3.5Å; I49-L52 PolarHBondContact O-N 3.11Å; L52-V64 HydrophobicContact CD2-CG2 4.02Å; L52-F116 HydrophobicContact CD2-CD1 3.91Å; L52-F116 HydrophobicContact CD2-CE1 4.17Å; L52-T119 HydrophobicContact CD1-CG2 4.31Å; L52-T119 HydrophobicContact CG-CG2 4.18Å; L52-L120 HydrophobicContact CD1-CD2 3.99Å; L52-L123 HydrophobicContact CD1-CD2 4.45Å
53	K	54.4	Low	56.5	Low	168 Å²	168	66.1 Å²	66.1	73%	0.73	36%	0.355	S	S	*	.	H	α-helix	trans	-90.3	-20.6	-176.7	-170.3	173.8	179.3	179	0	113.7	I49 A50 F51 H55	I49-K53 WeakPolarHBondContact O-CB 3.44Å; I49-K53 PolarHBondContact O-N 3.4Å; A50-K53 PolarHBondContact O-N 2.9Å; F51-K53 PolarHBondContact O-N 3.03Å; K53-H55 PolarHBondContact O-N 3.39Å
54	S	54.4	Low	58	Low	67 Å²	67	60.4 Å²	60.4	47%	0.469	34%	0.337	S	S	.	.	S	Bend	trans	-71.6	-7.4	170.1	64.6	0	0	0	0	113.1	A50 F51 G330	A50-S54 PolarHBondContact O-N 3.35Å; F51-S54 PolarHBondContact O-OG 3.43Å; F51-S54 VanDerWaalsContact O-OG 3.07Å; S54-G330 PolarHBondContact OG-O 3.12Å
55	H	50.9	Low	59.8	Low	26 Å²	26	60.4 Å²	60.4	12%	0.12	34%	0.335	C	S	.	.			trans	-101	85.8	-171.1	-78.5	-59.3	0	0	0	112.7	F51 K53 N60 F116 V331	F51-H55 PolarHBondContact O-CD2 3.18Å; K53-H55 PolarHBondContact O-N 3.39Å; H55-N60 VanDerWaalsContact C-ND2 3.33Å; H55-N60 HydrophobicContact CB-CB 3.64Å; H55-N60 VanDerWaalsContact CB-CG 3.4Å; H55-N60 VanDerWaalsContact ND1-CG 3.27Å; H55-N60 PolarHBondContact ND1-OD1 3.35Å; H55-F116 AromaticContact CD2-CE1 3.99Å; H55-F116 AromaticContact CD2-CZ 3.94Å; H55-F116 AromaticContact CE1-CZ 3.88Å; H55-F116 AromaticContact NE2-CE1 3.96Å; H55-F116 AromaticContact NE2-CZ 3.44Å; H55-F116 WeakPolarHBondContact NE2-CZ 3.42Å; H55-V331 WeakPolarHBondContact NE2-CG2 3.31Å
56	N	48	Very low	61.5	Low	157 Å²	157	58.1 Å²	58.1	84%	0.84	32%	0.323	S	S	*	.			trans	-120.4	55	176.8	-168.3	12.7	0	0	0	113
57	T	53.2	Low	63.2	Low	45 Å²	45	56.2 Å²	56.2	28%	0.276	30%	0.303	S	S	.	.	S	Bend	trans	-141.3	154.2	172.3	45.8	0	0	0	0	109.8	D59 N60 R327	T57-D59 VanDerWaalsContact C-N 3.27Å; T57-D59 PolarHBondContact O-N 3.5Å; T57-N60 PolarHBondContact N-ND2 3.13Å; T57-N60 PolarHBondContact O-N 2.84Å; T57-N60 PolarHBondContact O-ND2 3.47Å; T57-N60 PolarHBondContact OG1-ND2 2.99Å; T57-R327 HydrophobicContact CG2-CB 4.18Å; T57-R327 PolarHBondContact OG1-O 3.14Å
58	G	55.5	Low	65.1	Low	62 Å²	62	51.5 Å²	51.5	64%	0.639	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-34	-168.1	0	0	0	0	0	114.8	N60 L61	G58-N60 PolarHBondContact O-N 3.3Å; G58-L61 WeakPolarHBondContact O-CB 3.49Å; G58-L61 PolarHBondContact O-N 3.39Å
59	D	59.7	Low	67	Low	45 Å²	45	48.7 Å²	48.7	24%	0.241	28%	0.276	C	S	.	.	H	α-helix	trans	-69.1	-18.7	-176.2	-48	-77.8	0	0	0	113.9	T57 L61 S62 F63 L328	T57-D59 VanDerWaalsContact C-N 3.27Å; T57-D59 PolarHBondContact O-N 3.5Å; D59-L61 VanDerWaalsContact C-N 3.28Å; D59-L61 PolarHBondContact O-N 3.04Å; D59-S62 VanDerWaalsContact O-CB 3.32Å; D59-S62 WeakPolarHBondContact O-CB 3.5Å; D59-S62 PolarHBondContact O-N 3.48Å; D59-S62 VanDerWaalsContact O-N 3.09Å; D59-F63 PolarHBondContact O-N 3.04Å; D59-L328 HydrophobicContact CB-CD1 4.15Å; D59-L328 HydrophobicContact CB-CD2 3.52Å; D59-L328 HydrophobicContact CB-CG 3.56Å; D59-L328 VanDerWaalsContact CG-CG 3.5Å
60	N	59.9	Low	68.5	Low	7 Å²	7	47 Å²	47	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-71.8	-28.3	177.7	-48.5	-59.2	0	0	0	111.7	H55 T57 G58 S62 F63 V64	H55-N60 VanDerWaalsContact C-ND2 3.33Å; H55-N60 HydrophobicContact CB-CB 3.64Å; H55-N60 VanDerWaalsContact CB-CG 3.4Å; H55-N60 VanDerWaalsContact ND1-CG 3.27Å; H55-N60 PolarHBondContact ND1-OD1 3.35Å; T57-N60 PolarHBondContact N-ND2 3.13Å; T57-N60 PolarHBondContact O-N 2.84Å; T57-N60 PolarHBondContact O-ND2 3.47Å; T57-N60 PolarHBondContact OG1-ND2 2.99Å; G58-N60 PolarHBondContact O-N 3.3Å; N60-S62 PolarHBondContact O-N 2.91Å; N60-F63 PolarHBondContact O-N 3.43Å; N60-V64 WeakPolarHBondContact O-CB 3.32Å; N60-V64 WeakPolarHBondContact O-CG2 3.47Å; N60-V64 PolarHBondContact O-N 2.59Å
61	L	73.5	Confident	69.9	Low	114 Å²	114	46.4 Å²	46.4	60%	0.597	26%	0.259	S	S	*	.	H	α-helix	trans	-61.3	-37	169.9	-175.6	63.1	0	0	0	109.8	G58 D59 V64 I65	G58-L61 WeakPolarHBondContact O-CB 3.49Å; G58-L61 PolarHBondContact O-N 3.39Å; D59-L61 VanDerWaalsContact C-N 3.28Å; D59-L61 PolarHBondContact O-N 3.04Å; L61-V64 PolarHBondContact O-N 3.18Å; L61-I65 HydrophobicContact CD1-CD1 4.28Å; L61-I65 HydrophobicContact CD1-CG1 4.28Å; L61-I65 HydrophobicContact CD2-CD1 4.35Å; L61-I65 HydrophobicContact CG-CD1 3.77Å; L61-I65 HydrophobicContact CG-CG1 4.23Å; L61-I65 VanDerWaalsContact O-CB 3.29Å; L61-I65 WeakPolarHBondContact O-CB 3.41Å; L61-I65 WeakPolarHBondContact O-CG1 3.39Å; L61-I65 PolarHBondContact O-N 2.94Å
62	S	78.1	Confident	71.5	Confident	15 Å²	15	48.4 Å²	48.4	11%	0.105	27%	0.274	C	S	.	.	H	α-helix	trans	-66.5	-38.1	175.5	-51.8	0	0	0	0	113	D59 N60 A66 P101	D59-S62 VanDerWaalsContact O-CB 3.32Å; D59-S62 WeakPolarHBondContact O-CB 3.5Å; D59-S62 PolarHBondContact O-N 3.48Å; D59-S62 VanDerWaalsContact O-N 3.09Å; N60-S62 PolarHBondContact O-N 2.91Å; S62-A66 WeakPolarHBondContact O-CB 3.48Å; S62-A66 PolarHBondContact O-N 3.48Å; S62-P101 WeakPolarHBondContact OG-CD 3.43Å
63	F	77.8	Confident	73.1	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-68.3	-39.3	172.7	-83.2	-72	0	0	0	112.8	D59 N60 A66 G67 L104 I112 R113 F116 L328 F329	D59-F63 PolarHBondContact O-N 3.04Å; N60-F63 PolarHBondContact O-N 3.43Å; F63-A66 PolarHBondContact O-N 2.87Å; F63-G67 PolarHBondContact O-N 3.23Å; F63-L104 HydrophobicContact CB-CD1 4.33Å; F63-L104 HydrophobicContact CD1-CD1 3.72Å; F63-L104 HydrophobicContact CD1-CD2 4.28Å; F63-L104 HydrophobicContact CD1-CG 3.98Å; F63-L104 HydrophobicContact CD2-CD1 3.62Å; F63-L104 HydrophobicContact CE1-CD1 3.81Å; F63-L104 HydrophobicContact CE1-CD2 4.45Å; F63-L104 HydrophobicContact CE1-CG 3.79Å; F63-L104 HydrophobicContact CE2-CD1 3.72Å; F63-L104 HydrophobicContact CE2-CG 4.46Å; F63-L104 HydrophobicContact CG-CD1 3.61Å; F63-L104 HydrophobicContact CG-CG 4.38Å; F63-L104 HydrophobicContact CZ-CD1 3.81Å; F63-L104 HydrophobicContact CZ-CG 4.05Å; F63-I112 HydrophobicContact CD1-CG2 4.12Å; F63-I112 HydrophobicContact CE1-CB 4.37Å; F63-I112 HydrophobicContact CE1-CG2 3.62Å; F63-I112 HydrophobicContact CZ-CG2 4.07Å; F63-R113 HydrophobicContact CD1-CG 4.21Å; F63-R113 HydrophobicContact CE1-CG 4.24Å; F63-F116 HydrophobicContact CB-CD1 3.96Å; F63-F116 HydrophobicContact CB-CD2 3.8Å; F63-F116 HydrophobicContact CB-CE1 3.76Å; F63-F116 HydrophobicContact CB-CE2 3.6Å; F63-F116 HydrophobicContact CB-CG 3.99Å; F63-F116 HydrophobicContact CB-CZ 3.58Å; F63-F116 AromaticContact CD1-CD2 3.97Å; F63-F116 HydrophobicContact CD1-CD2 3.97Å; F63-F116 AromaticContact CD1-CE2 3.83Å; F63-F116 HydrophobicContact CD1-CE2 3.83Å; F63-F116 HydrophobicContact CD2-CE2 4.36Å; F63-F116 HydrophobicContact CD2-CZ 4.44Å; F63-F116 HydrophobicContact CG-CD2 4.1Å; F63-F116 AromaticContact CG-CE2 3.68Å; F63-F116 HydrophobicContact CG-CE2 3.68Å; F63-F116 AromaticContact CG-CZ 3.98Å; F63-F116 HydrophobicContact CG-CZ 3.98Å; F63-L328 HydrophobicContact CE2-CD2 4.23Å; F63-F329 HydrophobicContact CE2-CD1 4.44Å; F63-F329 HydrophobicContact CE2-CE1 4.24Å; F63-F329 HydrophobicContact CZ-CD1 4.29Å; F63-F329 AromaticContact CZ-CE1 3.8Å; F63-F329 HydrophobicContact CZ-CE1 3.8Å
64	V	81.7	Confident	74.5	Confident	36 Å²	36	39.4 Å²	39.4	22%	0.218	24%	0.235	C	C	.	.	H	α-helix	trans	-67.5	-44.1	175.2	171	0	0	0	0	110.9	L52 N60 L61 A66 G67 L68 F116	L52-V64 HydrophobicContact CD2-CG2 4.02Å; N60-V64 WeakPolarHBondContact O-CB 3.32Å; N60-V64 WeakPolarHBondContact O-CG2 3.47Å; N60-V64 PolarHBondContact O-N 2.59Å; L61-V64 PolarHBondContact O-N 3.18Å; V64-A66 VanDerWaalsContact C-N 3.32Å; V64-A66 PolarHBondContact O-N 3.42Å; V64-G67 PolarHBondContact O-N 2.85Å; V64-L68 HydrophobicContact CG1-CD1 3.86Å; V64-L68 HydrophobicContact CG1-CG 4.28Å; V64-L68 WeakPolarHBondContact O-CB 3.31Å; V64-L68 VanDerWaalsContact O-CG 3.24Å; V64-L68 WeakPolarHBondContact O-CG 3.48Å; V64-L68 PolarHBondContact O-N 3.43Å; V64-F116 HydrophobicContact CG2-CD1 3.97Å; V64-F116 HydrophobicContact CG2-CE1 4.18Å
65	I	85.9	Confident	75.9	Confident	51 Å²	51	43.4 Å²	43.4	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-58.1	-45.5	172.9	-72.2	167.1	0	0	0	109.9	L61 L68 L69 I100	L61-I65 HydrophobicContact CD1-CD1 4.28Å; L61-I65 HydrophobicContact CD1-CG1 4.28Å; L61-I65 HydrophobicContact CD2-CD1 4.35Å; L61-I65 HydrophobicContact CG-CD1 3.77Å; L61-I65 HydrophobicContact CG-CG1 4.23Å; L61-I65 VanDerWaalsContact O-CB 3.29Å; L61-I65 WeakPolarHBondContact O-CB 3.41Å; L61-I65 WeakPolarHBondContact O-CG1 3.39Å; L61-I65 PolarHBondContact O-N 2.94Å; I65-L68 PolarHBondContact O-N 2.71Å; I65-L69 VanDerWaalsContact O-CB 3.23Å; I65-L69 WeakPolarHBondContact O-CB 3.43Å; I65-L69 PolarHBondContact O-N 2.78Å; I65-I100 HydrophobicContact CG2-CD1 3.63Å; I65-I100 HydrophobicContact CG2-CG1 3.89Å
66	A	85.5	Confident	77.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-43.8	179.1	0	0	0	0	0	112.4	S62 F63 V64 L68 L69 E70 L104	S62-A66 WeakPolarHBondContact O-CB 3.48Å; S62-A66 PolarHBondContact O-N 3.48Å; F63-A66 PolarHBondContact O-N 2.87Å; V64-A66 VanDerWaalsContact C-N 3.32Å; V64-A66 PolarHBondContact O-N 3.42Å; A66-L68 PolarHBondContact O-N 3.1Å; A66-L69 PolarHBondContact O-N 2.87Å; A66-E70 WeakPolarHBondContact O-CG 3.32Å; A66-E70 PolarHBondContact O-N 3.3Å; A66-L104 HydrophobicContact CB-CD2 3.46Å; A66-L104 VanDerWaalsContact CB-CD2 3.46Å
67	G	85	Confident	79.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-35	175	0	0	0	0	0	113.5	F63 V64 M71	F63-G67 PolarHBondContact O-N 3.23Å; V64-G67 PolarHBondContact O-N 2.85Å; G67-M71 WeakPolarHBondContact O-CB 3.35Å; G67-M71 PolarHBondContact O-N 2.84Å; G67-M71 VanDerWaalsContact O-N 3.1Å
68	L	89.6	Confident	81	Confident	77 Å²	77	49.2 Å²	49.2	40%	0.403	27%	0.27	S	S	.	.	H	α-helix	trans	-68.2	-37.2	170.7	-72.8	172.7	0	0	0	111.5	V64 I65 A66 M71 V72 L120	V64-L68 HydrophobicContact CG1-CD1 3.86Å; V64-L68 HydrophobicContact CG1-CG 4.28Å; V64-L68 WeakPolarHBondContact O-CB 3.31Å; V64-L68 VanDerWaalsContact O-CG 3.24Å; V64-L68 WeakPolarHBondContact O-CG 3.48Å; V64-L68 PolarHBondContact O-N 3.43Å; I65-L68 PolarHBondContact O-N 2.71Å; A66-L68 PolarHBondContact O-N 3.1Å; L68-M71 CarbonylContact O-C 3.59Å; L68-M71 WeakPolarHBondContact O-CB 3.48Å; L68-M71 PolarHBondContact O-N 3.18Å; L68-V72 WeakPolarHBondContact O-CG2 3.2Å; L68-V72 PolarHBondContact O-N 3.44Å; L68-L120 HydrophobicContact CD2-CD1 4.05Å; L68-L120 HydrophobicContact CG-CD1 3.98Å
69	L	90.6	Very high	82.4	Confident	16 Å²	16	50 Å²	50	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-69.9	-40.7	177.6	178.8	63.9	0	0	0	111.9	I65 A66 M71 V72 S73 F87 I90 L94 I100	I65-L69 VanDerWaalsContact O-CB 3.23Å; I65-L69 WeakPolarHBondContact O-CB 3.43Å; I65-L69 PolarHBondContact O-N 2.78Å; A66-L69 PolarHBondContact O-N 2.87Å; L69-M71 PolarHBondContact O-N 2.77Å; L69-V72 PolarHBondContact O-N 3.08Å; L69-S73 VanDerWaalsContact O-CB 3.32Å; L69-S73 WeakPolarHBondContact O-CB 3.12Å; L69-S73 PolarHBondContact O-N 2.92Å; L69-S73 PolarHBondContact O-OG 2.85Å; L69-F87 HydrophobicContact CB-CE2 4.27Å; L69-F87 HydrophobicContact CD2-CD2 4Å; L69-F87 HydrophobicContact CD2-CE2 3.8Å; L69-F87 HydrophobicContact CG-CD2 3.83Å; L69-F87 HydrophobicContact CG-CE2 3.92Å; L69-I90 HydrophobicContact CD1-CB 3.95Å; L69-I90 HydrophobicContact CD1-CD1 4.19Å; L69-I90 HydrophobicContact CD1-CG2 3.44Å; L69-I90 VanDerWaalsContact CD1-CG2 3.44Å; L69-I90 HydrophobicContact CD2-CB 4.42Å; L69-I90 HydrophobicContact CD2-CG2 4.11Å; L69-I90 HydrophobicContact CG-CG2 4.41Å; L69-L94 HydrophobicContact CD2-CD1 4.01Å; L69-I100 HydrophobicContact CD2-CD1 4.45Å
70	E	87.7	Confident	83.6	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.019	27%	0.265	C	S	.	.	H	α-helix	trans	-57.5	-40.8	169.4	-71.9	172.2	176.1	0	0	109.8	A66 S73 C74 F87 R113 Y117	A66-E70 WeakPolarHBondContact O-CG 3.32Å; A66-E70 PolarHBondContact O-N 3.3Å; E70-S73 PolarHBondContact O-N 3.4Å; E70-C74 WeakPolarHBondContact O-CB 3.23Å; E70-C74 PolarHBondContact O-N 2.88Å; E70-C74 PolarHBondContact O-SG 2.74Å; E70-F87 HydrophobicContact CB-CD2 4.48Å; E70-F87 HydrophobicContact CB-CE2 4.4Å; E70-F87 HydrophobicContact CG-CD2 3.68Å; E70-F87 HydrophobicContact CG-CE2 3.32Å; E70-F87 HydrophobicContact CG-CG 4.5Å; E70-F87 HydrophobicContact CG-CZ 3.85Å; E70-R113 IonicContact OE1-CZ 2.75Å; E70-R113 IonicContact OE1-NE 3.04Å; E70-R113 PolarHBondContact OE1-NE 2.74Å; E70-R113 IonicContact OE1-NH2 2.69Å; E70-Y117 HydrophobicContact CB-CD2 3.97Å
71	M	86.3	Confident	84.8	Confident	17 Å²	17	53.8 Å²	53.8	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-45.6	177.1	-162.5	-177.9	-56.8	0	0	114.1	G67 L68 L69 S73 C74 M75 Y117 L120 Q121 I124	G67-M71 WeakPolarHBondContact O-CB 3.35Å; G67-M71 PolarHBondContact O-N 2.84Å; G67-M71 VanDerWaalsContact O-N 3.1Å; L68-M71 CarbonylContact O-C 3.59Å; L68-M71 WeakPolarHBondContact O-CB 3.48Å; L68-M71 PolarHBondContact O-N 3.18Å; L69-M71 PolarHBondContact O-N 2.77Å; M71-S73 VanDerWaalsContact C-N 3.29Å; M71-S73 PolarHBondContact O-N 2.9Å; M71-C74 CarbonylContact O-C 3.56Å; M71-C74 PolarHBondContact O-N 3.4Å; M71-M75 HydrophobicContact CG-SD 4.29Å; M71-M75 WeakPolarHBondContact O-CB 3.38Å; M71-M75 VanDerWaalsContact O-CG 3.31Å; M71-M75 WeakPolarHBondContact O-CG 3.35Å; M71-M75 PolarHBondContact O-N 3.23Å; M71-Y117 HydrophobicContact CB-CD2 4.04Å; M71-Y117 HydrophobicContact CB-CE2 3.95Å; M71-Y117 HydrophobicContact CE-CD2 4.47Å; M71-Y117 HydrophobicContact CG-CE2 4.17Å; M71-L120 HydrophobicContact CE-CB 3.47Å; M71-L120 VanDerWaalsContact CE-CB 3.47Å; M71-Q121 HydrophobicContact CE-CB 4.32Å; M71-I124 HydrophobicContact CE-CD1 3.92Å; M71-I124 HydrophobicContact SD-CD1 3.34Å; M71-I124 WeakPolarHBondContact SD-CD1 3.42Å
72	V	89.8	Confident	85.5	Confident	75 Å²	75	51.8 Å²	51.8	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-58.6	-44.4	173.4	169.2	0	0	0	0	109.6	L68 L69 C74 M75 T76	L68-V72 WeakPolarHBondContact O-CG2 3.2Å; L68-V72 PolarHBondContact O-N 3.44Å; L69-V72 PolarHBondContact O-N 3.08Å; V72-C74 VanDerWaalsContact C-N 3.33Å; V72-C74 PolarHBondContact O-N 2.91Å; V72-M75 PolarHBondContact O-N 3.48Å; V72-T76 HydrophobicContact CG1-CG2 4.09Å; V72-T76 WeakPolarHBondContact O-CG2 3.36Å; V72-T76 PolarHBondContact O-N 3.14Å; V72-T76 PolarHBondContact O-OG1 2.87Å
73	S	87	Confident	86	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-42.2	176.4	-55.5	0	0	0	0	112	L69 E70 M71 M75 T76 E77	L69-S73 VanDerWaalsContact O-CB 3.32Å; L69-S73 WeakPolarHBondContact O-CB 3.12Å; L69-S73 PolarHBondContact O-N 2.92Å; L69-S73 PolarHBondContact O-OG 2.85Å; E70-S73 PolarHBondContact O-N 3.4Å; M71-S73 VanDerWaalsContact C-N 3.29Å; M71-S73 PolarHBondContact O-N 2.9Å; S73-M75 VanDerWaalsContact C-N 3.32Å; S73-M75 PolarHBondContact O-N 3.36Å; S73-T76 PolarHBondContact O-OG1 3.31Å; S73-E77 PolarHBondContact O-N 3.32Å
74	C	84.2	Confident	86.4	Confident	12 Å²	12	52.4 Å²	52.4	8%	0.081	29%	0.285	C	S	.	.	H	α-helix	trans	-70.7	-21.5	174.9	-66.9	0	0	0	0	114.3	E70 M71 V72	E70-C74 WeakPolarHBondContact O-CB 3.23Å; E70-C74 PolarHBondContact O-N 2.88Å; E70-C74 PolarHBondContact O-SG 2.74Å; M71-C74 CarbonylContact O-C 3.56Å; M71-C74 PolarHBondContact O-N 3.4Å; V72-C74 VanDerWaalsContact C-N 3.33Å; V72-C74 PolarHBondContact O-N 2.91Å
75	M	84.7	Confident	86.6	Confident	151 Å²	151	59.1 Å²	59.1	74%	0.744	31%	0.306	S	S	*	.	H	α-helix	trans	-89.2	-36.2	177.8	-74.6	179	68	0	0	112.5	M71 V72 S73	M71-M75 HydrophobicContact CG-SD 4.29Å; M71-M75 WeakPolarHBondContact O-CB 3.38Å; M71-M75 VanDerWaalsContact O-CG 3.31Å; M71-M75 WeakPolarHBondContact O-CG 3.35Å; M71-M75 PolarHBondContact O-N 3.23Å; V72-M75 PolarHBondContact O-N 3.48Å; S73-M75 VanDerWaalsContact C-N 3.32Å; S73-M75 PolarHBondContact O-N 3.36Å
76	T	88.1	Confident	86.9	Confident	86 Å²	86	59.4 Å²	59.4	53%	0.528	31%	0.308	S	S	.	.	H	α-helix	trans	-75.8	-43.4	179.6	49.7	0	0	0	0	112.1	V72 S73 L86	V72-T76 HydrophobicContact CG1-CG2 4.09Å; V72-T76 WeakPolarHBondContact O-CG2 3.36Å; V72-T76 PolarHBondContact O-N 3.14Å; V72-T76 PolarHBondContact O-OG1 2.87Å; S73-T76 PolarHBondContact O-OG1 3.31Å; T76-L86 WeakPolarHBondContact OG1-CD2 3.36Å
77	E	87.2	Confident	87.1	Confident	80 Å²	80	60.1 Å²	60.1	37%	0.374	31%	0.311	S	S	.	.			trans	-114.4	143.5	-177.1	-80.7	-62.8	169.4	0	0	112.3	S73 L82 Q83 L86	S73-E77 PolarHBondContact O-N 3.32Å; E77-L82 HydrophobicContact CG-CB 4.41Å; E77-Q83 HydrophobicContact CB-CG 3.79Å; E77-Q83 WeakPolarHBondContact O-CG 3.23Å; E77-Q83 PolarHBondContact O-NE2 3.03Å; E77-L86 HydrophobicContact CB-CD2 4.49Å; E77-L86 HydrophobicContact CG-CD2 4Å
78	K	83	Confident	87.3	Confident	183 Å²	183	62.6 Å²	62.6	80%	0.796	33%	0.328	S	S	*	.	S	Bend	trans	-94.5	-24	178.1	-66.5	-176.6	-178.9	-179.5	0	113.4
79	N	84.2	Confident	87.4	Confident	78 Å²	78	62.8 Å²	62.8	42%	0.417	33%	0.333	S	S	.	.	S	Bend	trans	-90.5	117	-176.2	178.7	-26.7	0	0	0	110.2	T81 L82 Q83	N79-T81 PolarHBondContact O-N 2.86Å; N79-T81 VanDerWaalsContact O-N 3.1Å; N79-T81 PolarHBondContact OD1-N 2.96Å; N79-T81 PolarHBondContact OD1-OG1 3.34Å; N79-L82 HydrophobicContact CB-CB 4.24Å; N79-L82 HydrophobicContact CB-CD1 4.16Å; N79-L82 HydrophobicContact CB-CG 4.15Å; N79-L82 WeakPolarHBondContact O-CA 3.2Å; N79-L82 PolarHBondContact O-N 3.15Å; N79-Q83 WeakPolarHBondContact O-CG 3.15Å; N79-Q83 PolarHBondContact O-N 3.13Å
80	A	84.9	Confident	87.4	Confident	43 Å²	43	64.8 Å²	64.8	36%	0.355	34%	0.343	S	S	.	.	H	α-helix	trans	-52.8	-33.9	-177.7	0	0	0	0	0	114.8	A84	A80-A84 WeakPolarHBondContact O-CB 3.48Å; A80-A84 PolarHBondContact O-N 3.48Å
81	T	86.6	Confident	87.5	Confident	89 Å²	89	64.8 Å²	64.8	55%	0.546	34%	0.343	S	S	.	.	H	α-helix	trans	-71.6	-34.7	177.1	65.6	0	0	0	0	112.4	N79 R85	N79-T81 PolarHBondContact O-N 2.86Å; N79-T81 VanDerWaalsContact O-N 3.1Å; N79-T81 PolarHBondContact OD1-N 2.96Å; N79-T81 PolarHBondContact OD1-OG1 3.34Å; T81-R85 WeakPolarHBondContact O-CG 3.24Å; T81-R85 PolarHBondContact O-N 2.88Å
82	L	87.1	Confident	87.6	Confident	72 Å²	72	68.2 Å²	68.2	38%	0.377	36%	0.359	S	S	.	.	H	α-helix	trans	-77.7	-40.2	175.1	-63	-177.6	0	0	0	111.2	E77 N79 A84 R85 L86	E77-L82 HydrophobicContact CG-CB 4.41Å; N79-L82 HydrophobicContact CB-CB 4.24Å; N79-L82 HydrophobicContact CB-CD1 4.16Å; N79-L82 HydrophobicContact CB-CG 4.15Å; N79-L82 WeakPolarHBondContact O-CA 3.2Å; N79-L82 PolarHBondContact O-N 3.15Å; L82-A84 VanDerWaalsContact C-N 3.31Å; L82-A84 PolarHBondContact O-N 3.01Å; L82-R85 PolarHBondContact O-N 3.22Å; L82-L86 WeakPolarHBondContact O-CB 3.39Å; L82-L86 PolarHBondContact O-N 2.95Å
83	Q	88.7	Confident	87.6	Confident	3 Å²	3	69.1 Å²	69.1	1%	0.014	36%	0.361	C	S	.	.	H	α-helix	trans	-52.9	-48.8	171.5	-67	172.5	-9.8	0	0	111	E77 N79 R85 L86 F87 M159	E77-Q83 HydrophobicContact CB-CG 3.79Å; E77-Q83 WeakPolarHBondContact O-CG 3.23Å; E77-Q83 PolarHBondContact O-NE2 3.03Å; N79-Q83 WeakPolarHBondContact O-CG 3.15Å; N79-Q83 PolarHBondContact O-N 3.13Å; Q83-R85 PolarHBondContact O-N 3.01Å; Q83-L86 PolarHBondContact O-N 3.49Å; Q83-F87 WeakPolarHBondContact O-CB 3.36Å; Q83-F87 PolarHBondContact O-N 2.99Å; Q83-M159 HydrophobicContact CB-CG 3.72Å; Q83-M159 HydrophobicContact CB-SD 3.66Å
84	A	85.6	Confident	87.7	Confident	27 Å²	27	71.7 Å²	71.7	22%	0.223	38%	0.375	C	S	.	.	H	α-helix	trans	-66	-38.9	-179.6	0	0	0	0	0	113	A80 L82 S88 M159 F160	A80-A84 WeakPolarHBondContact O-CB 3.48Å; A80-A84 PolarHBondContact O-N 3.48Å; L82-A84 VanDerWaalsContact C-N 3.31Å; L82-A84 PolarHBondContact O-N 3.01Å; A84-S88 WeakPolarHBondContact O-CB 3.42Å; A84-S88 PolarHBondContact O-N 3.26Å; A84-M159 HydrophobicContact CB-CG 4.38Å; A84-M159 HydrophobicContact CB-SD 4.45Å; A84-F160 HydrophobicContact CB-CD2 4.39Å; A84-F160 HydrophobicContact CB-CE2 3.79Å
85	R	87.9	Confident	87.9	Confident	178 Å²	178	71.5 Å²	71.5	67%	0.672	37%	0.374	S	S	*	.	H	α-helix	trans	-66.8	-41.1	173.4	-73	-178.3	67.7	-163.3	-1.2	112.2	T81 L82 Q83 S88 V89	T81-R85 WeakPolarHBondContact O-CG 3.24Å; T81-R85 PolarHBondContact O-N 2.88Å; L82-R85 PolarHBondContact O-N 3.22Å; Q83-R85 PolarHBondContact O-N 3.01Å; R85-S88 PolarHBondContact O-N 2.93Å; R85-V89 WeakPolarHBondContact O-CG2 3.44Å; R85-V89 PolarHBondContact O-N 3.36Å
86	L	90.5	Very high	88	Confident	56 Å²	56	70 Å²	70	29%	0.293	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-46.5	176.7	-177.8	64.9	0	0	0	110.7	T76 E77 L82 Q83 V89 I90	T76-L86 WeakPolarHBondContact OG1-CD2 3.36Å; E77-L86 HydrophobicContact CB-CD2 4.49Å; E77-L86 HydrophobicContact CG-CD2 4Å; L82-L86 WeakPolarHBondContact O-CB 3.39Å; L82-L86 PolarHBondContact O-N 2.95Å; Q83-L86 PolarHBondContact O-N 3.49Å; L86-V89 PolarHBondContact O-N 2.97Å; L86-I90 HydrophobicContact CD1-CD1 3.66Å; L86-I90 HydrophobicContact CD1-CG1 4.21Å; L86-I90 HydrophobicContact CG-CD1 3.78Å; L86-I90 WeakPolarHBondContact O-CB 3.4Å; L86-I90 VanDerWaalsContact O-CG1 3.28Å; L86-I90 WeakPolarHBondContact O-CG1 3.37Å; L86-I90 PolarHBondContact O-N 2.94Å
87	F	90.1	Very high	88	Confident	16 Å²	16	71.8 Å²	71.8	7%	0.07	38%	0.379	C	S	.	.	H	α-helix	trans	-59.2	-48.2	173.3	177.8	-96.8	0	0	0	111.9	L69 E70 Q83 V89 I90 S91 L105 M159	L69-F87 HydrophobicContact CB-CE2 4.27Å; L69-F87 HydrophobicContact CD2-CD2 4Å; L69-F87 HydrophobicContact CD2-CE2 3.8Å; L69-F87 HydrophobicContact CG-CD2 3.83Å; L69-F87 HydrophobicContact CG-CE2 3.92Å; E70-F87 HydrophobicContact CB-CD2 4.48Å; E70-F87 HydrophobicContact CB-CE2 4.4Å; E70-F87 HydrophobicContact CG-CD2 3.68Å; E70-F87 HydrophobicContact CG-CE2 3.32Å; E70-F87 HydrophobicContact CG-CG 4.5Å; E70-F87 HydrophobicContact CG-CZ 3.85Å; Q83-F87 WeakPolarHBondContact O-CB 3.36Å; Q83-F87 PolarHBondContact O-N 2.99Å; F87-V89 PolarHBondContact O-N 3.1Å; F87-I90 PolarHBondContact O-N 3.21Å; F87-S91 WeakPolarHBondContact O-CB 3.37Å; F87-S91 PolarHBondContact O-N 2.93Å; F87-S91 PolarHBondContact O-OG 3.34Å; F87-L105 HydrophobicContact CZ-CD2 4.36Å; F87-M159 HydrophobicContact CB-CE 3.58Å; F87-M159 HydrophobicContact CB-SD 3.95Å; F87-M159 HydrophobicContact CD1-CE 3.88Å; F87-M159 HydrophobicContact CD2-CE 4.28Å; F87-M159 HydrophobicContact CG-CE 3.62Å
88	S	88.9	Confident	87.7	Confident	52 Å²	52	71 Å²	71	36%	0.364	39%	0.393	S	S	.	.	H	α-helix	trans	-55	-55.7	177.3	-148.7	0	0	0	0	110.5	A84 R85 I90 S91 E92	A84-S88 WeakPolarHBondContact O-CB 3.42Å; A84-S88 PolarHBondContact O-N 3.26Å; R85-S88 PolarHBondContact O-N 2.93Å; S88-I90 PolarHBondContact O-N 3.49Å; S88-S91 PolarHBondContact O-N 3.2Å; S88-S91 PolarHBondContact O-OG 3.14Å; S88-S91 VanDerWaalsContact O-OG 3.08Å; S88-E92 WeakPolarHBondContact CB-OE1 3.25Å; S88-E92 VanDerWaalsContact O-CB 3.32Å; S88-E92 WeakPolarHBondContact O-CB 3.34Å; S88-E92 VanDerWaalsContact O-CD 3.3Å; S88-E92 WeakPolarHBondContact O-CG 3.41Å; S88-E92 PolarHBondContact O-N 3.25Å; S88-E92 PolarHBondContact OG-OE1 3.37Å
89	V	91.7	Very high	87.7	Confident	81 Å²	81	64.3 Å²	64.3	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-47.4	-177.5	173.3	0	0	0	0	112.2	R85 L86 F87 N93	R85-V89 WeakPolarHBondContact O-CG2 3.44Å; R85-V89 PolarHBondContact O-N 3.36Å; L86-V89 PolarHBondContact O-N 2.97Å; F87-V89 PolarHBondContact O-N 3.1Å; V89-N93 PolarHBondContact O-N 2.87Å; V89-N93 VanDerWaalsContact O-N 3.11Å; V89-N93 PolarHBondContact O-ND2 3.35Å
90	I	91.3	Very high	87.7	Confident	57 Å²	57	60.7 Å²	60.7	29%	0.292	35%	0.352	S	S	.	.	H	α-helix	trans	-68.3	-40.8	-179.5	-60.2	167.9	0	0	0	110.7	L69 L86 F87 S88 N93 L94	L69-I90 HydrophobicContact CD1-CB 3.95Å; L69-I90 HydrophobicContact CD1-CD1 4.19Å; L69-I90 HydrophobicContact CD1-CG2 3.44Å; L69-I90 VanDerWaalsContact CD1-CG2 3.44Å; L69-I90 HydrophobicContact CD2-CB 4.42Å; L69-I90 HydrophobicContact CD2-CG2 4.11Å; L69-I90 HydrophobicContact CG-CG2 4.41Å; L86-I90 HydrophobicContact CD1-CD1 3.66Å; L86-I90 HydrophobicContact CD1-CG1 4.21Å; L86-I90 HydrophobicContact CG-CD1 3.78Å; L86-I90 WeakPolarHBondContact O-CB 3.4Å; L86-I90 VanDerWaalsContact O-CG1 3.28Å; L86-I90 WeakPolarHBondContact O-CG1 3.37Å; L86-I90 PolarHBondContact O-N 2.94Å; F87-I90 PolarHBondContact O-N 3.21Å; S88-I90 PolarHBondContact O-N 3.49Å; I90-N93 PolarHBondContact O-N 3.43Å; I90-L94 HydrophobicContact CG2-CD1 3.82Å; I90-L94 HydrophobicContact CG2-CG 4.18Å; I90-L94 WeakPolarHBondContact O-CB 3.49Å; I90-L94 VanDerWaalsContact O-CG 3.31Å; I90-L94 WeakPolarHBondContact O-CG 3.33Å; I90-L94 PolarHBondContact O-N 3.11Å
91	S	90	Very high	87.5	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.028	35%	0.348	C	S	.	.	H	α-helix	trans	-69.1	-38.6	-178.7	67.6	0	0	0	0	112.6	F87 S88 L94 A95 L105	F87-S91 WeakPolarHBondContact O-CB 3.37Å; F87-S91 PolarHBondContact O-N 2.93Å; F87-S91 PolarHBondContact O-OG 3.34Å; S88-S91 PolarHBondContact O-N 3.2Å; S88-S91 PolarHBondContact O-OG 3.14Å; S88-S91 VanDerWaalsContact O-OG 3.08Å; S91-L94 PolarHBondContact O-N 2.83Å; S91-A95 WeakPolarHBondContact O-CB 3.29Å; S91-A95 PolarHBondContact O-N 3.45Å; S91-L105 WeakPolarHBondContact O-CD1 3.46Å
92	E	89.2	Confident	87.4	Confident	89 Å²	89	61.7 Å²	61.7	42%	0.416	35%	0.347	S	S	.	.	H	α-helix	trans	-57.7	-52.1	170.3	-74.1	158.4	-142.1	0	0	110.8	S88 L94 A95 D96	S88-E92 WeakPolarHBondContact CB-OE1 3.25Å; S88-E92 VanDerWaalsContact O-CB 3.32Å; S88-E92 WeakPolarHBondContact O-CB 3.34Å; S88-E92 VanDerWaalsContact O-CD 3.3Å; S88-E92 WeakPolarHBondContact O-CG 3.41Å; S88-E92 PolarHBondContact O-N 3.25Å; S88-E92 PolarHBondContact OG-OE1 3.37Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 3.49Å; E92-A95 WeakPolarHBondContact O-CA 3.43Å; E92-A95 WeakPolarHBondContact O-CB 3.37Å; E92-A95 PolarHBondContact O-N 3.41Å; E92-D96 PolarHBondContact O-N 2.92Å
93	N	89.5	Confident	87	Confident	95 Å²	95	60.3 Å²	60.3	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-38.1	178.6	-81.4	-99.9	0	0	0	112.7	V89 I90 A95 V97	V89-N93 PolarHBondContact O-N 2.87Å; V89-N93 VanDerWaalsContact O-N 3.11Å; V89-N93 PolarHBondContact O-ND2 3.35Å; I90-N93 PolarHBondContact O-N 3.43Å; N93-A95 VanDerWaalsContact C-N 3.3Å; N93-V97 WeakPolarHBondContact O-CG2 3.32Å; N93-V97 PolarHBondContact O-N 3.45Å
94	L	88.3	Confident	86.6	Confident	54 Å²	54	60.2 Å²	60.2	28%	0.283	34%	0.343	S	S	.	.	H	α-helix	trans	-70.1	-27.4	175.1	-73.2	175	0	0	0	112.5	L69 I90 S91 E92 G98 A99 I100	L69-L94 HydrophobicContact CD2-CD1 4.01Å; I90-L94 HydrophobicContact CG2-CD1 3.82Å; I90-L94 HydrophobicContact CG2-CG 4.18Å; I90-L94 WeakPolarHBondContact O-CB 3.49Å; I90-L94 VanDerWaalsContact O-CG 3.31Å; I90-L94 WeakPolarHBondContact O-CG 3.33Å; I90-L94 PolarHBondContact O-N 3.11Å; S91-L94 PolarHBondContact O-N 2.83Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 3.49Å; L94-G98 PolarHBondContact O-N 3.02Å; L94-A99 HydrophobicContact CB-CB 4.45Å; L94-A99 HydrophobicContact CD2-CB 4.32Å; L94-A99 WeakPolarHBondContact O-CA 3.24Å; L94-A99 WeakPolarHBondContact O-CB 3.33Å; L94-A99 PolarHBondContact O-N 3.09Å; L94-I100 HydrophobicContact CB-CD1 3.92Å; L94-I100 HydrophobicContact CB-CG1 4.17Å; L94-I100 HydrophobicContact CD1-CD1 3.94Å; L94-I100 PolarHBondContact O-N 3.42Å
95	A	88.1	Confident	86.5	Confident	7 Å²	7	60.4 Å²	60.4	6%	0.058	34%	0.34	C	S	.	.	H	α-helix	trans	-77.2	-38.9	174.5	0	0	0	0	0	112.4	S91 E92 N93 V97 G98 I100 H102 L105	S91-A95 WeakPolarHBondContact O-CB 3.29Å; S91-A95 PolarHBondContact O-N 3.45Å; E92-A95 WeakPolarHBondContact O-CA 3.43Å; E92-A95 WeakPolarHBondContact O-CB 3.37Å; E92-A95 PolarHBondContact O-N 3.41Å; N93-A95 VanDerWaalsContact C-N 3.3Å; A95-V97 VanDerWaalsContact C-N 3.26Å; A95-V97 PolarHBondContact O-N 3.27Å; A95-G98 WeakPolarHBondContact O-CA 3.5Å; A95-G98 PolarHBondContact O-N 2.86Å; A95-I100 WeakPolarHBondContact CA-O 3.23Å; A95-I100 VanDerWaalsContact CB-O 3.23Å; A95-I100 WeakPolarHBondContact CB-O 3.32Å; A95-H102 WeakPolarHBondContact CB-CE1 3.14Å; A95-H102 WeakPolarHBondContact CB-ND1 3.5Å; A95-L105 HydrophobicContact CB-CD1 3.92Å
96	D	88.4	Confident	86.2	Confident	119 Å²	119	53.1 Å²	53.1	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-61.6	-33.8	173.4	-66.1	-20	0	0	0	112.3	E92 G98 H102	E92-D96 PolarHBondContact O-N 2.92Å; D96-G98 PolarHBondContact O-N 3.1Å; D96-H102 IonicContact OD1-CE1 3.91Å; D96-H102 PolarHBondContact OD1-CE1 2.75Å; D96-H102 IonicContact OD1-NE2 3.91Å
97	V	88	Confident	85.6	Confident	124 Å²	124	55.7 Å²	55.7	75%	0.752	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.7	172.8	174.9	0	0	0	0	112.5	N93 A95	N93-V97 WeakPolarHBondContact O-CG2 3.32Å; N93-V97 PolarHBondContact O-N 3.45Å; A95-V97 VanDerWaalsContact C-N 3.26Å; A95-V97 PolarHBondContact O-N 3.27Å
98	G	80.9	Confident	84.8	Confident	64 Å²	64	58.1 Å²	58.1	66%	0.66	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	14.1	-179	0	0	0	0	0	114.8	L94 A95 D96	L94-G98 PolarHBondContact O-N 3.02Å; A95-G98 WeakPolarHBondContact O-CA 3.5Å; A95-G98 PolarHBondContact O-N 2.86Å; D96-G98 PolarHBondContact O-N 3.1Å
99	A	81.2	Confident	84.3	Confident	43 Å²	43	55.7 Å²	55.7	36%	0.355	33%	0.332	S	S	.	.	S	Bend	trans	-79.1	-24.3	178.4	0	0	0	0	0	113.1	L94	L94-A99 HydrophobicContact CB-CB 4.45Å; L94-A99 HydrophobicContact CD2-CB 4.32Å; L94-A99 WeakPolarHBondContact O-CA 3.24Å; L94-A99 WeakPolarHBondContact O-CB 3.33Å; L94-A99 PolarHBondContact O-N 3.09Å
100	I	84.2	Confident	83.8	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	32%	0.317	C	S	.	.	S	Bend	trans	-137.7	130.7	176.5	-50.4	175	0	0	0	109	I65 L69 L94 A95 H102 L104 L105	I65-I100 HydrophobicContact CG2-CD1 3.63Å; I65-I100 HydrophobicContact CG2-CG1 3.89Å; L69-I100 HydrophobicContact CD2-CD1 4.45Å; L94-I100 HydrophobicContact CB-CD1 3.92Å; L94-I100 HydrophobicContact CB-CG1 4.17Å; L94-I100 HydrophobicContact CD1-CD1 3.94Å; L94-I100 PolarHBondContact O-N 3.42Å; A95-I100 WeakPolarHBondContact CA-O 3.23Å; A95-I100 VanDerWaalsContact CB-O 3.23Å; A95-I100 WeakPolarHBondContact CB-O 3.32Å; I100-H102 PolarHBondContact O-N 2.75Å; I100-L104 HydrophobicContact CG2-CB 4.25Å; I100-L104 HydrophobicContact CG2-CD2 3.88Å; I100-L105 HydrophobicContact CG2-CD2 3.98Å; I100-L105 HydrophobicContact CG2-CG 4.36Å
101	P	81.7	Confident	82.9	Confident	42 Å²	42	52.7 Å²	52.7	27%	0.273	31%	0.313	S	S	.	.			trans	-62.9	130.5	173.5	-22.2	33.5	0	0	0	111.9	S62 S103 L104 L210	S62-P101 WeakPolarHBondContact OG-CD 3.43Å; P101-S103 PolarHBondContact O-N 2.69Å; P101-S103 VanDerWaalsContact O-N 3.1Å; P101-L104 HydrophobicContact CB-CB 4.48Å; P101-L104 VanDerWaalsContact O-CB 3.23Å; P101-L104 WeakPolarHBondContact O-CB 3.48Å; P101-L104 PolarHBondContact O-N 3.36Å; P101-L210 HydrophobicContact CB-CD2 4.26Å
102	H	83.7	Confident	82.2	Confident	111 Å²	111	52.8 Å²	52.8	51%	0.514	31%	0.313	S	S	.	.	H	α-helix	trans	-53.4	-33.9	175.3	-64.8	-85.2	0	0	0	112.8	A95 D96 I100 L104 L105 S106	A95-H102 WeakPolarHBondContact CB-CE1 3.14Å; A95-H102 WeakPolarHBondContact CB-ND1 3.5Å; D96-H102 IonicContact OD1-CE1 3.91Å; D96-H102 PolarHBondContact OD1-CE1 2.75Å; D96-H102 IonicContact OD1-NE2 3.91Å; I100-H102 PolarHBondContact O-N 2.75Å; H102-L104 PolarHBondContact O-N 3.01Å; H102-L105 WeakPolarHBondContact O-CB 3.47Å; H102-L105 PolarHBondContact O-N 3.46Å; H102-S106 PolarHBondContact O-N 3.43Å
103	S	79	Confident	81.9	Confident	44 Å²	44	49 Å²	49	31%	0.308	30%	0.295	S	S	.	.	H	α-helix	trans	-58.6	-30.9	175.2	41.3	0	0	0	0	113.1	P101 L105 S106 L109 L210	P101-S103 PolarHBondContact O-N 2.69Å; P101-S103 VanDerWaalsContact O-N 3.1Å; S103-L105 VanDerWaalsContact C-N 3.34Å; S103-S106 WeakPolarHBondContact O-CB 3.4Å; S103-S106 PolarHBondContact O-N 2.97Å; S103-S106 PolarHBondContact O-OG 2.99Å; S103-L109 VanDerWaalsContact O-CD1 3.28Å; S103-L109 WeakPolarHBondContact O-CD1 3.35Å; S103-L210 WeakPolarHBondContact OG-CD2 3.38Å
104	L	80.1	Confident	81.3	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-70.8	-29	174.9	-169.5	144.9	0	0	0	112.6	F63 A66 I100 P101 H102 S106 R113	F63-L104 HydrophobicContact CB-CD1 4.33Å; F63-L104 HydrophobicContact CD1-CD1 3.72Å; F63-L104 HydrophobicContact CD1-CD2 4.28Å; F63-L104 HydrophobicContact CD1-CG 3.98Å; F63-L104 HydrophobicContact CD2-CD1 3.62Å; F63-L104 HydrophobicContact CE1-CD1 3.81Å; F63-L104 HydrophobicContact CE1-CD2 4.45Å; F63-L104 HydrophobicContact CE1-CG 3.79Å; F63-L104 HydrophobicContact CE2-CD1 3.72Å; F63-L104 HydrophobicContact CE2-CG 4.46Å; F63-L104 HydrophobicContact CG-CD1 3.61Å; F63-L104 HydrophobicContact CG-CG 4.38Å; F63-L104 HydrophobicContact CZ-CD1 3.81Å; F63-L104 HydrophobicContact CZ-CG 4.05Å; A66-L104 HydrophobicContact CB-CD2 3.46Å; A66-L104 VanDerWaalsContact CB-CD2 3.46Å; I100-L104 HydrophobicContact CG2-CB 4.25Å; I100-L104 HydrophobicContact CG2-CD2 3.88Å; P101-L104 HydrophobicContact CB-CB 4.48Å; P101-L104 VanDerWaalsContact O-CB 3.23Å; P101-L104 WeakPolarHBondContact O-CB 3.48Å; P101-L104 PolarHBondContact O-N 3.36Å; H102-L104 PolarHBondContact O-N 3.01Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-R113 HydrophobicContact CD2-CG 4.19Å; L104-R113 WeakPolarHBondContact O-CD 3.4Å; L104-R113 PolarHBondContact O-NH1 3.1Å
105	L	83.1	Confident	80.7	Confident	30 Å²	30	45.5 Å²	45.5	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-79	-14.9	179.5	-54.6	-179.1	0	0	0	113.2	F87 S91 A95 I100 H102 S103 R113	F87-L105 HydrophobicContact CZ-CD2 4.36Å; S91-L105 WeakPolarHBondContact O-CD1 3.46Å; A95-L105 HydrophobicContact CB-CD1 3.92Å; I100-L105 HydrophobicContact CG2-CD2 3.98Å; I100-L105 HydrophobicContact CG2-CG 4.36Å; H102-L105 WeakPolarHBondContact O-CB 3.47Å; H102-L105 PolarHBondContact O-N 3.46Å; S103-L105 VanDerWaalsContact C-N 3.34Å; L105-R113 PolarHBondContact O-NH1 3.04Å; L105-R113 VanDerWaalsContact O-NH1 3.11Å
106	S	81.9	Confident	80.3	Confident	26 Å²	26	45.2 Å²	45.2	18%	0.182	27%	0.269	C	S	.	.	S	Bend	trans	-49.3	149.3	177	65.3	0	0	0	0	113.4	H102 S103 L104 E108 L109 R113	H102-S106 PolarHBondContact O-N 3.43Å; S103-S106 WeakPolarHBondContact O-CB 3.4Å; S103-S106 PolarHBondContact O-N 2.97Å; S103-S106 PolarHBondContact O-OG 2.99Å; L104-S106 VanDerWaalsContact C-N 3.32Å; S106-E108 PolarHBondContact O-N 2.99Å; S106-L109 PolarHBondContact O-N 3Å; S106-R113 PolarHBondContact O-NH1 2.97Å
107	C	78.5	Confident	80	Confident	110 Å²	110	40 Å²	40	74%	0.743	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-64.8	-31.7	176.9	-67.5	0	0	0	0	111.3	L109 Y110	C107-L109 PolarHBondContact O-N 3.46Å; C107-Y110 WeakPolarHBondContact O-CB 3.21Å; C107-Y110 PolarHBondContact O-N 3.47Å; C107-Y110 VanDerWaalsContact O-N 3.1Å
108	E	74.1	Confident	79.6	Confident	67 Å²	67	34.7 Å²	34.7	31%	0.313	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-54.1	-31.5	176.2	-76.5	66	-155.4	0	0	113.3	S106 L214 L217 K221	S106-E108 PolarHBondContact O-N 2.99Å; E108-L214 HydrophobicContact CB-CD2 3.76Å; E108-L214 HydrophobicContact CG-CD2 4.35Å; E108-L217 HydrophobicContact CB-CD1 4.22Å; E108-K221 IonicContact OE1-NZ 2.87Å; E108-K221 PolarHBondContact OE1-NZ 3.36Å
109	L	77.3	Confident	79.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-104.1	5.6	-178.8	-58.2	178.4	0	0	0	113.7	S103 S106 C107 T111 I112 R113 L210 L214 L217 F329	S103-L109 VanDerWaalsContact O-CD1 3.28Å; S103-L109 WeakPolarHBondContact O-CD1 3.35Å; S106-L109 PolarHBondContact O-N 3Å; C107-L109 PolarHBondContact O-N 3.46Å; L109-T111 VanDerWaalsContact C-N 3.34Å; L109-T111 PolarHBondContact O-N 3.44Å; L109-I112 HydrophobicContact CD2-CD1 3.92Å; L109-I112 WeakPolarHBondContact O-CB 3.24Å; L109-I112 PolarHBondContact O-N 3.14Å; L109-R113 PolarHBondContact O-N 2.83Å; L109-L210 HydrophobicContact CD1-CD1 3.34Å; L109-L214 HydrophobicContact CD1-CD2 4.19Å; L109-L214 HydrophobicContact CD2-CD2 4.31Å; L109-L214 HydrophobicContact CG-CD2 4.02Å; L109-L217 HydrophobicContact CD2-CD1 3.62Å; L109-F329 HydrophobicContact CD2-CE1 4.05Å; L109-F329 HydrophobicContact CD2-CZ 4.21Å
110	Y	81.2	Confident	79.5	Confident	41 Å²	41	31 Å²	31	16%	0.161	17%	0.167	C	C	.	.	H	α-helix	trans	-52.2	-49.1	-179.5	177.1	-85.8	0	0	0	112.2	C107 I112 R113 Q114 M159 F160 Y161	C107-Y110 WeakPolarHBondContact O-CB 3.21Å; C107-Y110 PolarHBondContact O-N 3.47Å; C107-Y110 VanDerWaalsContact O-N 3.1Å; Y110-I112 PolarHBondContact O-N 2.89Å; Y110-R113 PolarHBondContact O-N 3.26Å; Y110-R113 VanDerWaalsContact O-N 3.15Å; Y110-Q114 HydrophobicContact CE1-CB 3.99Å; Y110-Q114 HydrophobicContact CE1-CG 4.23Å; Y110-Q114 WeakPolarHBondContact O-CB 3.4Å; Y110-Q114 PolarHBondContact O-N 3.27Å; Y110-M159 PolarHBondContact OH-O 3.13Å; Y110-F160 PolarHBondContact OH-O 2.79Å; Y110-Y161 HydrophobicContact CD1-CD2 4.37Å; Y110-Y161 HydrophobicContact CD1-CE2 4.31Å; Y110-Y161 AromaticContact CE1-CD2 3.51Å; Y110-Y161 HydrophobicContact CE1-CD2 3.51Å; Y110-Y161 AromaticContact CE1-CE2 3.88Å; Y110-Y161 HydrophobicContact CE1-CE2 3.88Å
111	T	73.2	Confident	79.4	Confident	35 Å²	35	32.8 Å²	32.8	22%	0.215	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-31.1	-179.9	-48.2	0	0	0	0	112.8	L109 R115 L166 L239	L109-T111 VanDerWaalsContact C-N 3.34Å; L109-T111 PolarHBondContact O-N 3.44Å; T111-R115 PolarHBondContact O-N 3.48Å; T111-L166 HydrophobicContact CG2-CD1 3.98Å; T111-L239 HydrophobicContact CG2-CD1 4.06Å
112	I	75.3	Confident	79.4	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-74.6	-48.4	176.1	-65.8	165.4	0	0	0	109.6	F63 L109 Y110 Q114 R115 F116 F205 L239 F329	F63-I112 HydrophobicContact CD1-CG2 4.12Å; F63-I112 HydrophobicContact CE1-CB 4.37Å; F63-I112 HydrophobicContact CE1-CG2 3.62Å; F63-I112 HydrophobicContact CZ-CG2 4.07Å; L109-I112 HydrophobicContact CD2-CD1 3.92Å; L109-I112 WeakPolarHBondContact O-CB 3.24Å; L109-I112 PolarHBondContact O-N 3.14Å; Y110-I112 PolarHBondContact O-N 2.89Å; I112-Q114 VanDerWaalsContact C-N 3.32Å; I112-Q114 PolarHBondContact O-N 3.2Å; I112-R115 WeakPolarHBondContact O-CB 3.19Å; I112-R115 PolarHBondContact O-N 2.85Å; I112-F116 HydrophobicContact CG2-CD2 4.36Å; I112-F116 HydrophobicContact CG2-CE2 4.01Å; I112-F116 WeakPolarHBondContact O-CD2 3.36Å; I112-F116 PolarHBondContact O-N 2.91Å; I112-F205 HydrophobicContact CD1-CD1 4.16Å; I112-F205 HydrophobicContact CD1-CE1 4.06Å; I112-L239 HydrophobicContact CG1-CD1 4.2Å; I112-F329 HydrophobicContact CD1-CD1 4.04Å; I112-F329 HydrophobicContact CD1-CE1 3.88Å
113	R	81.2	Confident	79.2	Confident	11 Å²	11	33.3 Å²	33.3	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-55.8	-46.3	174.9	-64.5	-159.9	-55.4	-89.3	6.3	112.2	F63 E70 L104 L105 S106 L109 Y110 R115 F116 Y117	F63-R113 HydrophobicContact CD1-CG 4.21Å; F63-R113 HydrophobicContact CE1-CG 4.24Å; E70-R113 IonicContact OE1-CZ 2.75Å; E70-R113 IonicContact OE1-NE 3.04Å; E70-R113 PolarHBondContact OE1-NE 2.74Å; E70-R113 IonicContact OE1-NH2 2.69Å; L104-R113 HydrophobicContact CD2-CG 4.19Å; L104-R113 WeakPolarHBondContact O-CD 3.4Å; L104-R113 PolarHBondContact O-NH1 3.1Å; L105-R113 PolarHBondContact O-NH1 3.04Å; L105-R113 VanDerWaalsContact O-NH1 3.11Å; S106-R113 PolarHBondContact O-NH1 2.97Å; L109-R113 PolarHBondContact O-N 2.83Å; Y110-R113 PolarHBondContact O-N 3.26Å; Y110-R113 VanDerWaalsContact O-N 3.15Å; R113-R115 PolarHBondContact O-N 3.45Å; R113-R115 VanDerWaalsContact O-N 3.15Å; R113-F116 WeakPolarHBondContact O-CA 3.38Å; R113-F116 WeakPolarHBondContact O-CB 3.47Å; R113-F116 PolarHBondContact O-N 3.31Å; R113-Y117 PolarHBondContact O-N 3.19Å
114	Q	78.7	Confident	79.5	Confident	7 Å²	7	34.4 Å²	34.4	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-29.6	178.2	-173.5	65.3	-20	0	0	112.2	Y110 I112 L118	Y110-Q114 HydrophobicContact CE1-CB 3.99Å; Y110-Q114 HydrophobicContact CE1-CG 4.23Å; Y110-Q114 WeakPolarHBondContact O-CB 3.4Å; Y110-Q114 PolarHBondContact O-N 3.27Å; I112-Q114 VanDerWaalsContact C-N 3.32Å; I112-Q114 PolarHBondContact O-N 3.2Å; Q114-L118 HydrophobicContact CG-CD1 4.3Å; Q114-L118 WeakPolarHBondContact O-CB 3.34Å; Q114-L118 VanDerWaalsContact O-CG 3.24Å; Q114-L118 WeakPolarHBondContact O-CG 3.49Å; Q114-L118 PolarHBondContact O-N 3.15Å
115	R	75.4	Confident	79.6	Confident	67 Å²	67	39 Å²	39	25%	0.253	19%	0.188	S	C	.	.	H	α-helix	trans	-70	-38.1	172.7	-173.7	58.4	176.7	-150.3	-4.2	112.5	F51 T111 I112 R113 T119 F241	F51-R115 HydrophobicContact CE2-CG 3.81Å; F51-R115 HydrophobicContact CZ-CB 4.39Å; F51-R115 HydrophobicContact CZ-CG 3.78Å; T111-R115 PolarHBondContact O-N 3.48Å; I112-R115 WeakPolarHBondContact O-CB 3.19Å; I112-R115 PolarHBondContact O-N 2.85Å; R113-R115 PolarHBondContact O-N 3.45Å; R113-R115 VanDerWaalsContact O-N 3.15Å; R115-T119 WeakPolarHBondContact O-CB 3.49Å; R115-T119 PolarHBondContact O-N 3.14Å; R115-T119 PolarHBondContact O-OG1 2.85Å; R115-F241 HydrophobicContact CB-CZ 4.21Å; R115-F241 HydrophobicContact CG-CE2 4.3Å; R115-F241 HydrophobicContact CG-CZ 4.17Å
116	F	78.5	Confident	79.2	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.009	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-49.9	170.5	-76.3	-95.2	0	0	0	111.1	F51 L52 H55 F63 V64 I112 R113 L118 T119 L120	F51-F116 AromaticContact CE1-CD1 3.65Å; F51-F116 HydrophobicContact CE1-CD1 3.65Å; F51-F116 HydrophobicContact CE1-CD2 4Å; F51-F116 AromaticContact CE1-CE1 3.66Å; F51-F116 HydrophobicContact CE1-CE1 3.66Å; F51-F116 HydrophobicContact CE1-CE2 4.01Å; F51-F116 AromaticContact CE1-CG 3.82Å; F51-F116 HydrophobicContact CE1-CG 3.82Å; F51-F116 AromaticContact CE1-CZ 3.84Å; F51-F116 HydrophobicContact CE1-CZ 3.84Å; F51-F116 HydrophobicContact CZ-CD1 4.35Å; F51-F116 AromaticContact CZ-CD2 3.92Å; F51-F116 HydrophobicContact CZ-CD2 3.92Å; F51-F116 HydrophobicContact CZ-CE1 4.19Å; F51-F116 AromaticContact CZ-CE2 3.74Å; F51-F116 HydrophobicContact CZ-CE2 3.74Å; F51-F116 HydrophobicContact CZ-CG 4.22Å; F51-F116 AromaticContact CZ-CZ 3.88Å; F51-F116 HydrophobicContact CZ-CZ 3.88Å; L52-F116 HydrophobicContact CD2-CD1 3.91Å; L52-F116 HydrophobicContact CD2-CE1 4.17Å; H55-F116 AromaticContact CD2-CE1 3.99Å; H55-F116 AromaticContact CD2-CZ 3.94Å; H55-F116 AromaticContact CE1-CZ 3.88Å; H55-F116 AromaticContact NE2-CE1 3.96Å; H55-F116 AromaticContact NE2-CZ 3.44Å; H55-F116 WeakPolarHBondContact NE2-CZ 3.42Å; F63-F116 HydrophobicContact CB-CD1 3.96Å; F63-F116 HydrophobicContact CB-CD2 3.8Å; F63-F116 HydrophobicContact CB-CE1 3.76Å; F63-F116 HydrophobicContact CB-CE2 3.6Å; F63-F116 HydrophobicContact CB-CG 3.99Å; F63-F116 HydrophobicContact CB-CZ 3.58Å; F63-F116 AromaticContact CD1-CD2 3.97Å; F63-F116 HydrophobicContact CD1-CD2 3.97Å; F63-F116 AromaticContact CD1-CE2 3.83Å; F63-F116 HydrophobicContact CD1-CE2 3.83Å; F63-F116 HydrophobicContact CD2-CE2 4.36Å; F63-F116 HydrophobicContact CD2-CZ 4.44Å; F63-F116 HydrophobicContact CG-CD2 4.1Å; F63-F116 AromaticContact CG-CE2 3.68Å; F63-F116 HydrophobicContact CG-CE2 3.68Å; F63-F116 AromaticContact CG-CZ 3.98Å; F63-F116 HydrophobicContact CG-CZ 3.98Å; V64-F116 HydrophobicContact CG2-CD1 3.97Å; V64-F116 HydrophobicContact CG2-CE1 4.18Å; I112-F116 HydrophobicContact CG2-CD2 4.36Å; I112-F116 HydrophobicContact CG2-CE2 4.01Å; I112-F116 WeakPolarHBondContact O-CD2 3.36Å; I112-F116 PolarHBondContact O-N 2.91Å; R113-F116 WeakPolarHBondContact O-CA 3.38Å; R113-F116 WeakPolarHBondContact O-CB 3.47Å; R113-F116 PolarHBondContact O-N 3.31Å; F116-L118 PolarHBondContact O-N 2.95Å; F116-T119 PolarHBondContact O-N 3.06Å; F116-T119 VanDerWaalsContact O-N 3.14Å; F116-L120 WeakPolarHBondContact O-CG 3.37Å; F116-L120 PolarHBondContact O-N 2.93Å
117	Y	83.3	Confident	79.3	Confident	8 Å²	8	39.9 Å²	39.9	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-51.6	-53.8	175	167.9	-92.1	0	0	0	112	E70 M71 R113 T119 L120 Q121	E70-Y117 HydrophobicContact CB-CD2 3.97Å; M71-Y117 HydrophobicContact CB-CD2 4.04Å; M71-Y117 HydrophobicContact CB-CE2 3.95Å; M71-Y117 HydrophobicContact CE-CD2 4.47Å; M71-Y117 HydrophobicContact CG-CE2 4.17Å; R113-Y117 PolarHBondContact O-N 3.19Å; Y117-T119 VanDerWaalsContact C-N 3.28Å; Y117-T119 PolarHBondContact O-N 3.43Å; Y117-L120 PolarHBondContact O-N 3.38Å; Y117-Q121 WeakPolarHBondContact O-CB 3.32Å; Y117-Q121 PolarHBondContact O-N 3.15Å
118	L	79.2	Confident	79.6	Confident	14 Å²	14	39.8 Å²	39.8	7%	0.073	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-32.5	-179.8	-72.1	172.9	0	0	0	112.7	Q114 F116 R122	Q114-L118 HydrophobicContact CG-CD1 4.3Å; Q114-L118 WeakPolarHBondContact O-CB 3.34Å; Q114-L118 VanDerWaalsContact O-CG 3.24Å; Q114-L118 WeakPolarHBondContact O-CG 3.49Å; Q114-L118 PolarHBondContact O-N 3.15Å; F116-L118 PolarHBondContact O-N 2.95Å; L118-R122 WeakPolarHBondContact O-CB 3.45Å; L118-R122 WeakPolarHBondContact O-CG 3.39Å; L118-R122 PolarHBondContact O-N 3.3Å
119	T	76.7	Confident	80	Confident	14 Å²	14	42.3 Å²	42.3	9%	0.086	19%	0.194	C	C	.	.	H	α-helix	trans	-71.9	-42.4	178.3	-57.8	0	0	0	0	110.8	F51 L52 R115 F116 Y117 R122 L123	F51-T119 HydrophobicContact CB-CG2 4.38Å; F51-T119 HydrophobicContact CD1-CG2 3.95Å; F51-T119 HydrophobicContact CG-CG2 4.49Å; L52-T119 HydrophobicContact CD1-CG2 4.31Å; L52-T119 HydrophobicContact CG-CG2 4.18Å; R115-T119 WeakPolarHBondContact O-CB 3.49Å; R115-T119 PolarHBondContact O-N 3.14Å; R115-T119 PolarHBondContact O-OG1 2.85Å; F116-T119 PolarHBondContact O-N 3.06Å; F116-T119 VanDerWaalsContact O-N 3.14Å; Y117-T119 VanDerWaalsContact C-N 3.28Å; Y117-T119 PolarHBondContact O-N 3.43Å; T119-R122 PolarHBondContact O-N 2.94Å; T119-L123 WeakPolarHBondContact O-CB 3.37Å; T119-L123 PolarHBondContact O-N 3.28Å
120	L	83	Confident	79.9	Confident	15 Å²	15	46 Å²	46	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-65.9	-40.8	174	-66.2	165.8	0	0	0	111.6	L52 L68 M71 F116 Y117 L123 I124	L52-L120 HydrophobicContact CD1-CD2 3.99Å; L68-L120 HydrophobicContact CD2-CD1 4.05Å; L68-L120 HydrophobicContact CG-CD1 3.98Å; M71-L120 HydrophobicContact CE-CB 3.47Å; M71-L120 VanDerWaalsContact CE-CB 3.47Å; F116-L120 WeakPolarHBondContact O-CG 3.37Å; F116-L120 PolarHBondContact O-N 2.93Å; Y117-L120 PolarHBondContact O-N 3.38Å; L120-L123 WeakPolarHBondContact O-CB 3.47Å; L120-L123 PolarHBondContact O-N 2.87Å; L120-I124 WeakPolarHBondContact O-CG1 3.28Å; L120-I124 PolarHBondContact O-N 3.26Å
121	Q	83.1	Confident	80	Confident	39 Å²	39	48.9 Å²	48.9	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-43.7	176	-170.9	-172.8	20.9	0	0	111.6	M71 Y117 I124 R125	M71-Q121 HydrophobicContact CE-CB 4.32Å; Y117-Q121 WeakPolarHBondContact O-CB 3.32Å; Y117-Q121 PolarHBondContact O-N 3.15Å; Q121-I124 PolarHBondContact O-N 2.94Å; Q121-R125 WeakPolarHBondContact O-CB 3.46Å; Q121-R125 PolarHBondContact O-N 3.28Å
122	R	80.6	Confident	80.4	Confident	135 Å²	135	51.7 Å²	51.7	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-44.3	173.7	-75.5	170.6	-177.6	-166	-1.4	111.5	L118 T119 I124 R125 T126	L118-R122 WeakPolarHBondContact O-CB 3.45Å; L118-R122 WeakPolarHBondContact O-CG 3.39Å; L118-R122 PolarHBondContact O-N 3.3Å; T119-R122 PolarHBondContact O-N 2.94Å; R122-I124 PolarHBondContact O-N 2.96Å; R122-R125 PolarHBondContact O-N 2.79Å; R122-T126 WeakPolarHBondContact O-CG2 3.49Å; R122-T126 PolarHBondContact O-N 3.01Å; R122-T126 PolarHBondContact O-OG1 2.94Å
123	L	80.1	Confident	80.3	Confident	29 Å²	29	52.9 Å²	52.9	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-56.4	-51.4	177.2	176.2	58.6	0	0	0	111.2	M45 I49 L52 T119 L120 R125 T126 T127	M45-L123 HydrophobicContact CE-CD1 3.95Å; M45-L123 HydrophobicContact SD-CD1 3.61Å; I49-L123 HydrophobicContact CD1-CD1 3.68Å; I49-L123 HydrophobicContact CD1-CD2 3.75Å; I49-L123 HydrophobicContact CD1-CG 4.38Å; I49-L123 HydrophobicContact CG1-CD1 3.92Å; I49-L123 HydrophobicContact CG1-CD2 4.18Å; L52-L123 HydrophobicContact CD1-CD2 4.45Å; T119-L123 WeakPolarHBondContact O-CB 3.37Å; T119-L123 PolarHBondContact O-N 3.28Å; L120-L123 WeakPolarHBondContact O-CB 3.47Å; L120-L123 PolarHBondContact O-N 2.87Å; L123-R125 PolarHBondContact O-N 3.02Å; L123-T126 PolarHBondContact O-N 3.3Å; L123-T126 PolarHBondContact O-OG1 3.01Å; L123-T127 HydrophobicContact CD1-CG2 4.31Å; L123-T127 PolarHBondContact O-N 3.25Å; L123-T127 PolarHBondContact O-OG1 2.67Å
124	I	84.2	Confident	79.3	Confident	67 Å²	67	56.6 Å²	56.6	34%	0.344	27%	0.271	S	S	.	.	H	α-helix	trans	-60.1	-43.4	178	-69.3	163	0	0	0	111.5	M71 L120 Q121 R122 T127 Q128	M71-I124 HydrophobicContact CE-CD1 3.92Å; M71-I124 HydrophobicContact SD-CD1 3.34Å; M71-I124 WeakPolarHBondContact SD-CD1 3.42Å; L120-I124 WeakPolarHBondContact O-CG1 3.28Å; L120-I124 PolarHBondContact O-N 3.26Å; Q121-I124 PolarHBondContact O-N 2.94Å; R122-I124 PolarHBondContact O-N 2.96Å; I124-T127 WeakPolarHBondContact CA-OG1 3.15Å; I124-T127 PolarHBondContact O-N 3.3Å; I124-T127 PolarHBondContact O-OG1 3.38Å; I124-Q128 HydrophobicContact CG2-CG 4.39Å; I124-Q128 WeakPolarHBondContact O-CB 3.35Å; I124-Q128 VanDerWaalsContact O-CG 3.25Å; I124-Q128 WeakPolarHBondContact O-CG 3.13Å; I124-Q128 PolarHBondContact O-N 2.85Å
125	R	82	Confident	78.3	Confident	98 Å²	98	61 Å²	61	37%	0.37	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-47.3	176.3	-173.3	-178.4	-66	154.2	-5.3	111.7	Q121 R122 L123 T127 Q128 E129 E156	Q121-R125 WeakPolarHBondContact O-CB 3.46Å; Q121-R125 PolarHBondContact O-N 3.28Å; R122-R125 PolarHBondContact O-N 2.79Å; L123-R125 PolarHBondContact O-N 3.02Å; R125-T127 VanDerWaalsContact C-N 3.3Å; R125-T127 PolarHBondContact O-N 3.15Å; R125-Q128 PolarHBondContact O-N 3.23Å; R125-E129 WeakPolarHBondContact CG-OE1 3.48Å; R125-E129 WeakPolarHBondContact O-CG 3.29Å; R125-E129 PolarHBondContact O-N 3.35Å; R125-E156 IonicContact NH2-OE1 3.43Å; R125-E156 PolarHBondContact NH2-OE1 2.68Å
126	T	76.7	Confident	77.3	Confident	36 Å²	36	66.9 Å²	66.9	22%	0.221	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-28.7	179.7	55.6	0	0	0	0	113.7	R122 L123 Y130	R122-T126 WeakPolarHBondContact O-CG2 3.49Å; R122-T126 PolarHBondContact O-N 3.01Å; R122-T126 PolarHBondContact O-OG1 2.94Å; L123-T126 PolarHBondContact O-N 3.3Å; L123-T126 PolarHBondContact O-OG1 3.01Å; T126-Y130 PolarHBondContact O-N 3.47Å
127	T	83.5	Confident	76.1	Confident	37 Å²	37	76 Å²	76	23%	0.227	36%	0.361	C	S	.	.	H	α-helix	trans	-78.9	-36.6	173.7	53.4	0	0	0	0	111.9	F40 M45 L123 I124 R125 Y130 L131	F40-T127 HydrophobicContact CZ-CG2 4.42Å; M45-T127 HydrophobicContact SD-CG2 4.22Å; L123-T127 HydrophobicContact CD1-CG2 4.31Å; L123-T127 PolarHBondContact O-N 3.25Å; L123-T127 PolarHBondContact O-OG1 2.67Å; I124-T127 WeakPolarHBondContact CA-OG1 3.15Å; I124-T127 PolarHBondContact O-N 3.3Å; I124-T127 PolarHBondContact O-OG1 3.38Å; R125-T127 VanDerWaalsContact C-N 3.3Å; R125-T127 PolarHBondContact O-N 3.15Å; T127-Y130 PolarHBondContact O-N 3.14Å; T127-L131 WeakPolarHBondContact O-CG 3.5Å; T127-L131 PolarHBondContact O-N 3.06Å; T127-L131 VanDerWaalsContact O-N 3.1Å
128	Q	84.9	Confident	74.5	Confident	109 Å²	109	78.7 Å²	78.7	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-60.3	-51.3	172.5	-75	171.1	-29.3	0	0	112	I124 R125 Y130 L131 D132	I124-Q128 HydrophobicContact CG2-CG 4.39Å; I124-Q128 WeakPolarHBondContact O-CB 3.35Å; I124-Q128 VanDerWaalsContact O-CG 3.25Å; I124-Q128 WeakPolarHBondContact O-CG 3.13Å; I124-Q128 PolarHBondContact O-N 2.85Å; R125-Q128 PolarHBondContact O-N 3.23Å; Q128-Y130 PolarHBondContact O-N 3.26Å; Q128-L131 PolarHBondContact O-N 2.9Å; Q128-L131 VanDerWaalsContact O-N 3.14Å; Q128-D132 PolarHBondContact O-N 3.18Å
129	E	81.5	Confident	72.9	Confident	120 Å²	120	84.4 Å²	84.4	56%	0.561	42%	0.421	S	S	*	.	H	α-helix	trans	-57	-34.1	178.1	-72.2	169	-172.9	0	0	112.7	R125 G133	R125-E129 WeakPolarHBondContact CG-OE1 3.48Å; R125-E129 WeakPolarHBondContact O-CG 3.29Å; R125-E129 PolarHBondContact O-N 3.35Å; E129-G133 PolarHBondContact O-N 3.23Å
130	Y	75.5	Confident	71.4	Confident	76 Å²	76	91.5 Å²	91.5	30%	0.298	46%	0.458	S	S	.	.	H	α-helix	trans	-71.5	-44.8	176.3	179.6	-98.7	0	0	0	112.7	F40 T126 T127 Q128 G133 Q134	F40-Y130 HydrophobicContact CD1-CE1 4.46Å; F40-Y130 HydrophobicContact CD2-CD1 4.05Å; F40-Y130 AromaticContact CD2-CD2 3.8Å; F40-Y130 HydrophobicContact CD2-CD2 3.8Å; F40-Y130 AromaticContact CD2-CE1 3.88Å; F40-Y130 HydrophobicContact CD2-CE1 3.88Å; F40-Y130 AromaticContact CD2-CE2 3.61Å; F40-Y130 HydrophobicContact CD2-CE2 3.61Å; F40-Y130 HydrophobicContact CD2-CG 4.01Å; F40-Y130 AromaticContact CD2-CZ 3.65Å; F40-Y130 HydrophobicContact CE1-CD1 4.38Å; F40-Y130 AromaticContact CE2-CD1 3.66Å; F40-Y130 HydrophobicContact CE2-CD1 3.66Å; F40-Y130 AromaticContact CE2-CD2 3.56Å; F40-Y130 HydrophobicContact CE2-CD2 3.56Å; F40-Y130 AromaticContact CE2-CE1 3.98Å; F40-Y130 HydrophobicContact CE2-CE1 3.98Å; F40-Y130 AromaticContact CE2-CE2 3.89Å; F40-Y130 HydrophobicContact CE2-CE2 3.89Å; F40-Y130 AromaticContact CE2-CG 3.43Å; F40-Y130 HydrophobicContact CE2-CG 3.43Å; F40-Y130 VanDerWaalsContact CE2-CG 3.43Å; F40-Y130 HydrophobicContact CG-CE1 4.13Å; F40-Y130 HydrophobicContact CG-CE2 4.46Å; F40-Y130 AromaticContact CZ-CD1 3.84Å; F40-Y130 HydrophobicContact CZ-CD1 3.84Å; F40-Y130 HydrophobicContact CZ-CD2 4.48Å; F40-Y130 HydrophobicContact CZ-CE1 4.33Å; F40-Y130 AromaticContact CZ-CG 3.93Å; F40-Y130 HydrophobicContact CZ-CG 3.93Å; T126-Y130 PolarHBondContact O-N 3.47Å; T127-Y130 PolarHBondContact O-N 3.14Å; Q128-Y130 PolarHBondContact O-N 3.26Å; Y130-G133 WeakPolarHBondContact O-CA 3.35Å; Y130-G133 PolarHBondContact O-N 3.2Å; Y130-G133 VanDerWaalsContact O-N 3.15Å; Y130-Q134 PolarHBondContact O-N 2.76Å
131	L	82.6	Confident	69.4	Low	103 Å²	103	95.5 Å²	95.5	54%	0.539	49%	0.487	S	S	.	.	H	α-helix	trans	-65.5	-38.7	177.9	-66.5	170.7	0	0	0	111.8	T127 Q128 G133 Q134 T135	T127-L131 WeakPolarHBondContact O-CG 3.5Å; T127-L131 PolarHBondContact O-N 3.06Å; T127-L131 VanDerWaalsContact O-N 3.1Å; Q128-L131 PolarHBondContact O-N 2.9Å; Q128-L131 VanDerWaalsContact O-N 3.14Å; L131-G133 VanDerWaalsContact C-N 3.32Å; L131-Q134 PolarHBondContact O-N 3.45Å; L131-T135 WeakPolarHBondContact O-CG2 3.33Å; L131-T135 PolarHBondContact O-N 2.89Å; L131-T135 PolarHBondContact O-OG1 3.43Å
132	D	82.1	Confident	67.1	Low	94 Å²	94	100.5 Å²	100.5	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-65.8	-34.9	171.6	-76.7	-9.1	0	0	0	112	Q128 T135 R136	Q128-D132 PolarHBondContact O-N 3.18Å; D132-T135 WeakPolarHBondContact CA-OG1 3.44Å; D132-T135 PolarHBondContact O-OG1 3.47Å; D132-T135 VanDerWaalsContact O-OG1 3.13Å; D132-R136 WeakPolarHBondContact O-CB 3.45Å; D132-R136 VanDerWaalsContact O-CG 3.24Å; D132-R136 WeakPolarHBondContact O-CG 3.34Å; D132-R136 PolarHBondContact O-N 3.22Å
133	G	72.5	Confident	65	Low	29 Å²	29	98.3 Å²	98.3	30%	0.299	53%	0.531	S	S	.	.	H	α-helix	trans	-63.7	-46.4	171.6	0	0	0	0	0	112.2	E129 Y130 L131 R136 F137	E129-G133 PolarHBondContact O-N 3.23Å; Y130-G133 WeakPolarHBondContact O-CA 3.35Å; Y130-G133 PolarHBondContact O-N 3.2Å; Y130-G133 VanDerWaalsContact O-N 3.15Å; L131-G133 VanDerWaalsContact C-N 3.32Å; G133-R136 PolarHBondContact O-N 3.43Å; G133-F137 WeakPolarHBondContact O-CD2 3.33Å; G133-F137 PolarHBondContact O-N 3.38Å
134	Q	61.6	Low	63.3	Low	89 Å²	89	103 Å²	103	42%	0.416	56%	0.561	S	S	.	*	H	α-helix	trans	-69.5	-37.6	-176.6	-161.5	164.1	20.6	0	0	112.4	Y130 L131 R136 F137	Y130-Q134 PolarHBondContact O-N 2.76Å; L131-Q134 PolarHBondContact O-N 3.45Å; Q134-R136 VanDerWaalsContact C-N 3.32Å; Q134-R136 PolarHBondContact O-N 3.33Å; Q134-F137 PolarHBondContact O-N 2.72Å
135	T	58.2	Low	61.3	Low	100 Å²	100	111.7 Å²	111.7	61%	0.613	59%	0.59	S	S	*	*	H	α-helix	trans	-68.7	-27.6	173	50	0	0	0	0	113.4	L131 D132	L131-T135 WeakPolarHBondContact O-CG2 3.33Å; L131-T135 PolarHBondContact O-N 2.89Å; L131-T135 PolarHBondContact O-OG1 3.43Å; D132-T135 WeakPolarHBondContact CA-OG1 3.44Å; D132-T135 PolarHBondContact O-OG1 3.47Å; D132-T135 VanDerWaalsContact O-OG1 3.13Å
136	R	53.9	Low	59.3	Low	191 Å²	191	115.1 Å²	115.1	72%	0.721	61%	0.612	S	S	*	*	H	α-helix	trans	-83.3	-27	175.3	-71.7	176.6	-178.9	-167.2	1.9	114	D132 G133 Q134 G138 N139	D132-R136 WeakPolarHBondContact O-CB 3.45Å; D132-R136 VanDerWaalsContact O-CG 3.24Å; D132-R136 WeakPolarHBondContact O-CG 3.34Å; D132-R136 PolarHBondContact O-N 3.22Å; G133-R136 PolarHBondContact O-N 3.43Å; Q134-R136 VanDerWaalsContact C-N 3.32Å; Q134-R136 PolarHBondContact O-N 3.33Å; R136-G138 VanDerWaalsContact C-N 3.25Å; R136-G138 PolarHBondContact O-N 2.93Å; R136-N139 PolarHBondContact O-N 3.35Å; R136-N139 VanDerWaalsContact O-O 3.12Å
137	F	52.4	Low	57.3	Low	194 Å²	194	118.2 Å²	118.2	85%	0.851	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-11.3	-179.9	-103.1	-86.9	0	0	0	115	G133 Q134	G133-F137 WeakPolarHBondContact O-CD2 3.33Å; G133-F137 PolarHBondContact O-N 3.38Å; Q134-F137 PolarHBondContact O-N 2.72Å
138	G	50.7	Low	55.1	Low	63 Å²	63	120.5 Å²	120.5	65%	0.649	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-18.2	172.1	0	0	0	0	0	114.7	R136	R136-G138 VanDerWaalsContact C-N 3.25Å; R136-G138 PolarHBondContact O-N 2.93Å
139	N	45.6	Very low	52.6	Low	135 Å²	135	123 Å²	123	72%	0.722	68%	0.681	S	S	*	*	S	Bend	trans	-137.7	118.8	-172.8	-73.6	-51.2	0	0	0	112.2	R136	R136-N139 PolarHBondContact O-N 3.35Å; R136-N139 VanDerWaalsContact O-O 3.12Å
140	L	44.2	Very low	50.8	Low	163 Å²	163	122.4 Å²	122.4	85%	0.853	69%	0.685	S	S	*	*			trans	80.7	101.8	163.1	-152	69.9	0	0	0	117.8
141	S	40.4	Very low	48.8	Very low	98 Å²	98	126.8 Å²	126.8	69%	0.685	71%	0.714	S	S	*	*				36.1	128.6	127.8	-46.4	0	0	0	0	120.8
142	T	35	Very low	46.4	Very low	145 Å²	145	127.3 Å²	127.3	89%	0.89	72%	0.717	S	S	*	*	S	Bend	trans	-27.6	138.6	157.1	-41.7	0	0	0	0	115.1
143	A	37.6	Very low	44.2	Very low	88 Å²	88	132 Å²	132	73%	0.727	74%	0.736	S	S	*	*			trans	83.2	91.7	176.5	0	0	0	0	0	116.9
144	T	43	Very low	42.5	Very low	128 Å²	128	135.6 Å²	135.6	79%	0.785	76%	0.757	S	S	*	*				-171.3	86.2	117.7	-70.1	0	0	0	0	108.8
145	R	42.6	Very low	41.5	Very low	250 Å²	250	140 Å²	140	94%	0.943	78%	0.777	S	S	*	*			trans	-107	60.8	164.8	-85.5	-173.4	171.8	169.6	-2.5	109.3
146	M	39.6	Very low	41	Very low	169 Å²	169	139.2 Å²	139.2	83%	0.833	77%	0.767	S	S	*	*			trans	-145.1	141.7	170.9	-76	-167.6	163.9	0	0	109.6
147	A	35	Very low	40.7	Very low	101 Å²	101	138.5 Å²	138.5	84%	0.835	76%	0.764	S	S	*	*			trans	60.1	87.6	169.1	0	0	0	0	0	117.8
148	A	39	Very low	40.6	Very low	86 Å²	86	131.3 Å²	131.3	71%	0.711	73%	0.731	S	S	*	*			trans	-130.2	67.5	142.6	0	0	0	0	0	109.1	T150	A148-T150 PolarHBondContact O-N 2.85Å
149	N	32.3	Very low	40.3	Very low	161 Å²	161	129 Å²	129	86%	0.861	70%	0.704	S	S	*	*			trans	-72.2	84.9	161	-82.9	3.6	0	0	0	107.8
150	T	42.7	Very low	40.2	Very low	107 Å²	107	129.5 Å²	129.5	66%	0.656	70%	0.7	S	S	*	*			trans	-102.8	94	166.1	48.2	0	0	0	0	108.3	A148 D152	A148-T150 PolarHBondContact O-N 2.85Å; T150-D152 PolarHBondContact O-N 3.4Å
151	N	33.1	Very low	40.2	Very low	169 Å²	169	125.7 Å²	125.7	90%	0.904	68%	0.675	S	S	*	*			trans	-67.6	82	159.4	-64.6	-20.7	0	0	0	106.9
152	D	32.1	Very low	40.1	Very low	113 Å²	113	124.8 Å²	124.8	60%	0.604	66%	0.662	S	S	*	*			trans	-142.6	94.2	-170.1	-160.3	24	0	0	0	111.6	T150 S154	T150-D152 PolarHBondContact O-N 3.4Å; D152-S154 PolarHBondContact O-N 3.32Å; D152-S154 PolarHBondContact O-OG 2.93Å
153	E	36.3	Very low	40.6	Very low	192 Å²	192	119.6 Å²	119.6	90%	0.897	63%	0.631	S	S	*	*			trans	40.1	17.5	152.3	-54.9	-144.9	137.6	0	0	121.8	E155	E153-E155 PolarHBondContact O-N 3.3Å
154	S	37.4	Very low	40.6	Very low	105 Å²	105	122.1 Å²	122.1	73%	0.734	63%	0.628	S	S	*	*			trans	-89	46.2	170	52.5	0	0	0	0	112.9	D152 E156	D152-S154 PolarHBondContact O-N 3.32Å; D152-S154 PolarHBondContact O-OG 2.93Å; S154-E156 PolarHBondContact O-N 3.04Å; S154-E156 VanDerWaalsContact O-N 3.14Å
155	E	41.1	Very low	40.6	Very low	181 Å²	181	122 Å²	122	85%	0.846	62%	0.623	S	S	*	*			trans	-55.4	123.5	158.8	-80.1	-147.8	156.8	0	0	108.2	E153 R157	E153-E155 PolarHBondContact O-N 3.3Å; E155-R157 PolarHBondContact O-N 3.32Å
156	E	46.8	Very low	40.9	Very low	85 Å²	85	111.3 Å²	111.3	40%	0.397	58%	0.584	S	S	.	*			trans	-68.3	100.3	-166.4	-68.5	-177.3	104.7	0	0	109.9	R125 S154 R158	R125-E156 IonicContact NH2-OE1 3.43Å; R125-E156 PolarHBondContact NH2-OE1 2.68Å; S154-E156 PolarHBondContact O-N 3.04Å; S154-E156 VanDerWaalsContact O-N 3.14Å; E156-R158 VanDerWaalsContact CB-NH1 3.28Å; E156-R158 WeakPolarHBondContact O-CG 3.18Å; E156-R158 PolarHBondContact O-N 3.39Å; E156-R158 IonicContact OE1-CZ 3.79Å; E156-R158 IonicContact OE1-NH2 3.12Å; E156-R158 PolarHBondContact OE1-NH2 2.91Å; E156-R158 IonicContact OE2-CZ 3.44Å; E156-R158 IonicContact OE2-NH1 3.83Å; E156-R158 PolarHBondContact OE2-NH1 3.06Å; E156-R158 IonicContact OE2-NH2 2.87Å; E156-R158 PolarHBondContact OE2-NH2 3.43Å
157	R	47.1	Very low	41.2	Very low	175 Å²	175	105.9 Å²	105.9	66%	0.66	56%	0.558	S	S	*	*			trans	-51.8	100.9	178.5	-59.7	179.3	-144.5	133.8	9.5	110.1	E155	E155-R157 PolarHBondContact O-N 3.32Å
158	R	50	Low	41.9	Very low	44 Å²	44	102 Å²	102	17%	0.166	52%	0.523	C	S	.	.			trans	-126.8	125.9	-179.7	-75.4	177.1	-177.9	115.4	2.1	110.3	E156 F160 Y161 P163	E156-R158 VanDerWaalsContact CB-NH1 3.28Å; E156-R158 WeakPolarHBondContact O-CG 3.18Å; E156-R158 PolarHBondContact O-N 3.39Å; E156-R158 IonicContact OE1-CZ 3.79Å; E156-R158 IonicContact OE1-NH2 3.12Å; E156-R158 PolarHBondContact OE1-NH2 2.91Å; E156-R158 IonicContact OE2-CZ 3.44Å; E156-R158 IonicContact OE2-NH1 3.83Å; E156-R158 PolarHBondContact OE2-NH1 3.06Å; E156-R158 IonicContact OE2-NH2 2.87Å; E156-R158 PolarHBondContact OE2-NH2 3.43Å; R158-F160 PolarHBondContact O-N 3.45Å; R158-Y161 WeakPolarHBondContact CD-O 3.33Å; R158-P163 VanDerWaalsContact NH1-CD 3.32Å; R158-P163 VanDerWaalsContact NH1-CG 3.3Å
159	M	45.9	Very low	42.4	Very low	15 Å²	15	100.9 Å²	100.9	7%	0.074	51%	0.51	C	S	.	.	S	Bend	trans	-59.3	105.2	152.2	-111	172.4	59.7	0	0	108.3	Q83 A84 F87 Y110 Y161	Q83-M159 HydrophobicContact CB-CG 3.72Å; Q83-M159 HydrophobicContact CB-SD 3.66Å; A84-M159 HydrophobicContact CB-CG 4.38Å; A84-M159 HydrophobicContact CB-SD 4.45Å; F87-M159 HydrophobicContact CB-CE 3.58Å; F87-M159 HydrophobicContact CB-SD 3.95Å; F87-M159 HydrophobicContact CD1-CE 3.88Å; F87-M159 HydrophobicContact CD2-CE 4.28Å; F87-M159 HydrophobicContact CG-CE 3.62Å; Y110-M159 PolarHBondContact OH-O 3.13Å; M159-Y161 PolarHBondContact O-N 2.88Å
160	F	43.2	Very low	43.4	Very low	145 Å²	145	98.2 Å²	98.2	64%	0.636	49%	0.491	S	S	*	.	S	Bend	trans	54.2	51.7	163.7	-72.4	-90.6	0	0	0	117.8	A84 Y110 R158	A84-F160 HydrophobicContact CB-CD2 4.39Å; A84-F160 HydrophobicContact CB-CE2 3.79Å; Y110-F160 PolarHBondContact OH-O 2.79Å; R158-F160 PolarHBondContact O-N 3.45Å
161	Y	43.8	Very low	44	Very low	82 Å²	82	94.7 Å²	94.7	32%	0.322	47%	0.47	S	S	.	.			trans	-157.6	133.4	155.6	-132.5	-100.3	0	0	0	114.3	Y110 R158 M159 P163 L166	Y110-Y161 HydrophobicContact CD1-CD2 4.37Å; Y110-Y161 HydrophobicContact CD1-CE2 4.31Å; Y110-Y161 AromaticContact CE1-CD2 3.51Å; Y110-Y161 HydrophobicContact CE1-CD2 3.51Å; Y110-Y161 AromaticContact CE1-CE2 3.88Å; Y110-Y161 HydrophobicContact CE1-CE2 3.88Å; R158-Y161 WeakPolarHBondContact CD-O 3.33Å; M159-Y161 PolarHBondContact O-N 2.88Å; Y161-P163 WeakPolarHBondContact O-CD 3.48Å; Y161-L166 HydrophobicContact CD1-CB 4.38Å; Y161-L166 HydrophobicContact CE1-CB 3.86Å; Y161-L166 HydrophobicContact CE1-CD1 3.66Å; Y161-L166 HydrophobicContact CE1-CG 4.22Å; Y161-L166 WeakPolarHBondContact OH-CD1 3.2Å
162	D	39.3	Very low	45.4	Very low	79 Å²	79	92 Å²	92	42%	0.422	45%	0.447	S	S	.	.			trans	-83.4	109.9	156.6	163.5	27.1	0	0	0	108.6	E164 N165	D162-E164 VanDerWaalsContact C-N 3.25Å; D162-E164 PolarHBondContact O-N 3.03Å; D162-E164 VanDerWaalsContact OD1-CB 3.29Å; D162-E164 WeakPolarHBondContact OD1-CB 3.4Å; D162-E164 PolarHBondContact OD1-N 3.3Å; D162-N165 PolarHBondContact OD2-ND2 3.02Å
163	P	43.8	Very low	47.1	Very low	37 Å²	37	91.3 Å²	91.3	24%	0.24	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-74.8	-11.3	179.9	38.2	-42.5	0	0	0	113.2	R158 Y161 N165 L166	R158-P163 VanDerWaalsContact NH1-CD 3.32Å; R158-P163 VanDerWaalsContact NH1-CG 3.3Å; Y161-P163 WeakPolarHBondContact O-CD 3.48Å; P163-N165 PolarHBondContact O-N 3.26Å; P163-L166 CarbonylContact O-C 3.57Å; P163-L166 WeakPolarHBondContact O-CA 3.12Å; P163-L166 PolarHBondContact O-N 3.28Å
164	E	38.7	Very low	48.9	Very low	141 Å²	141	85.6 Å²	85.6	66%	0.659	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-68.6	-22.5	-179.8	-57.8	-158	166	0	0	111.6	D162 N167	D162-E164 VanDerWaalsContact C-N 3.25Å; D162-E164 PolarHBondContact O-N 3.03Å; D162-E164 VanDerWaalsContact OD1-CB 3.29Å; D162-E164 WeakPolarHBondContact OD1-CB 3.4Å; D162-E164 PolarHBondContact OD1-N 3.3Å; E164-N167 PolarHBondContact O-ND2 3.46Å
165	N	42	Very low	50.9	Low	126 Å²	126	82.6 Å²	82.6	67%	0.674	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-88.6	-10.7	167.6	-77	-68.4	0	0	0	114.4	D162 P163 N167	D162-N165 PolarHBondContact OD2-ND2 3.02Å; P163-N165 PolarHBondContact O-N 3.26Å; N165-N167 PolarHBondContact O-N 3.48Å
166	L	49.5	Very low	52.7	Low	25 Å²	25	79.3 Å²	79.3	13%	0.131	37%	0.373	C	S	.	.			trans	-89.3	23.3	168.2	-147.3	76.8	0	0	0	113	T111 Y161 P163 L168	T111-L166 HydrophobicContact CG2-CD1 3.98Å; Y161-L166 HydrophobicContact CD1-CB 4.38Å; Y161-L166 HydrophobicContact CE1-CB 3.86Å; Y161-L166 HydrophobicContact CE1-CD1 3.66Å; Y161-L166 HydrophobicContact CE1-CG 4.22Å; Y161-L166 WeakPolarHBondContact OH-CD1 3.2Å; P163-L166 CarbonylContact O-C 3.57Å; P163-L166 WeakPolarHBondContact O-CA 3.12Å; P163-L166 PolarHBondContact O-N 3.28Å; L166-L168 HydrophobicContact CD1-CD1 4.25Å; L166-L168 HydrophobicContact CD1-CD2 4.37Å; L166-L168 HydrophobicContact CD1-CG 4.32Å; L166-L168 HydrophobicContact CG-CD1 4.02Å; L166-L168 HydrophobicContact CG-CG 4.13Å; L166-L168 PolarHBondContact O-N 3.37Å
167	N	45	Very low	54.2	Low	55 Å²	55	78.7 Å²	78.7	29%	0.294	37%	0.37	S	S	.	.			trans	-72.4	68.2	162.3	-80.1	-65.6	0	0	0	109.8	E164 N165 S169 K170 C171	E164-N167 PolarHBondContact O-ND2 3.46Å; N165-N167 PolarHBondContact O-N 3.48Å; N167-S169 PolarHBondContact O-N 2.83Å; N167-K170 HydrophobicContact CB-CB 3.92Å; N167-K170 HydrophobicContact CB-CD 3.54Å; N167-K170 HydrophobicContact CB-CG 3.66Å; N167-K170 WeakPolarHBondContact ND2-CE 3.11Å; N167-K170 PolarHBondContact ND2-NZ 3.09Å; N167-K170 WeakPolarHBondContact O-CA 3.44Å; N167-K170 WeakPolarHBondContact O-CB 3.39Å; N167-K170 PolarHBondContact O-N 2.86Å; N167-C171 PolarHBondContact O-N 2.71Å
168	L	50.7	Low	55.9	Low	18 Å²	18	73.9 Å²	73.9	9%	0.094	36%	0.357	C	S	.	.	H	α-helix	trans	-59.7	-25.8	174.9	-60.7	165.1	0	0	0	111.3	L166 C171 R172 W238 L239 F241	L166-L168 HydrophobicContact CD1-CD1 4.25Å; L166-L168 HydrophobicContact CD1-CD2 4.37Å; L166-L168 HydrophobicContact CD1-CG 4.32Å; L166-L168 HydrophobicContact CG-CD1 4.02Å; L166-L168 HydrophobicContact CG-CG 4.13Å; L166-L168 PolarHBondContact O-N 3.37Å; L168-C171 PolarHBondContact O-N 3Å; L168-R172 PolarHBondContact O-N 3.26Å; L168-W238 HydrophobicContact CD2-CB 4.2Å; L168-L239 WeakPolarHBondContact CD1-O 3.3Å; L168-L239 WeakPolarHBondContact CD2-O 3.31Å; L168-F241 HydrophobicContact CD1-CD2 3.51Å; L168-F241 HydrophobicContact CD1-CE2 3.55Å
169	S	49.7	Very low	57.4	Low	63 Å²	63	74.3 Å²	74.3	44%	0.441	37%	0.367	S	S	.	.	H	α-helix	trans	-58.7	-46.9	164.5	49.4	0	0	0	0	113	N167 C171 R172 D173	N167-S169 PolarHBondContact O-N 2.83Å; S169-C171 VanDerWaalsContact C-N 3.33Å; S169-C171 PolarHBondContact O-N 3.29Å; S169-R172 CarbonylContact O-C 3.55Å; S169-R172 WeakPolarHBondContact O-CB 3.33Å; S169-R172 PolarHBondContact O-N 3.23Å; S169-R172 VanDerWaalsContact O-N 3.11Å; S169-D173 WeakPolarHBondContact O-CB 3.38Å; S169-D173 PolarHBondContact O-N 3.25Å; S169-D173 VanDerWaalsContact O-OD2 3.09Å
170	K	53.5	Low	59.2	Low	106 Å²	106	77.5 Å²	77.5	46%	0.461	39%	0.387	S	S	.	.	H	α-helix	trans	-58.9	-44.6	174.7	-71.6	175.7	-168	169.4	0	110.8	N167 R172 D173 E174	N167-K170 HydrophobicContact CB-CB 3.92Å; N167-K170 HydrophobicContact CB-CD 3.54Å; N167-K170 HydrophobicContact CB-CG 3.66Å; N167-K170 WeakPolarHBondContact ND2-CE 3.11Å; N167-K170 PolarHBondContact ND2-NZ 3.09Å; N167-K170 WeakPolarHBondContact O-CA 3.44Å; N167-K170 WeakPolarHBondContact O-CB 3.39Å; N167-K170 PolarHBondContact O-N 2.86Å; K170-R172 VanDerWaalsContact C-N 3.33Å; K170-R172 PolarHBondContact O-N 3.45Å; K170-D173 CarbonylContact O-C 3.57Å; K170-D173 WeakPolarHBondContact O-CA 3.47Å; K170-D173 PolarHBondContact O-N 3.37Å; K170-D173 VanDerWaalsContact O-N 3.07Å; K170-E174 WeakPolarHBondContact O-CG 3.41Å; K170-E174 PolarHBondContact O-N 3.32Å
171	C	55.2	Low	61	Low	33 Å²	33	74.8 Å²	74.8	22%	0.223	38%	0.379	C	S	.	.	H	α-helix	trans	-61.1	-39.6	175.3	-58.8	0	0	0	0	112.1	N167 L168 S169 D173 Y175 W238	N167-C171 PolarHBondContact O-N 2.71Å; L168-C171 PolarHBondContact O-N 3Å; S169-C171 VanDerWaalsContact C-N 3.33Å; S169-C171 PolarHBondContact O-N 3.29Å; C171-D173 VanDerWaalsContact C-N 3.34Å; C171-Y175 WeakPolarHBondContact O-CD2 3.49Å; C171-Y175 WeakPolarHBondContact O-CE2 3.47Å; C171-W238 HydrophobicContact CB-CD2 4.35Å; C171-W238 HydrophobicContact CB-CG 4.42Å
172	R	61.5	Low	62.4	Low	111 Å²	111	72.7 Å²	72.7	42%	0.419	38%	0.382	S	S	.	.	H	α-helix	trans	-65.5	-37.2	172.4	179.2	174.3	170.4	-175.4	-4.9	112	L168 S169 K170 E174	L168-R172 PolarHBondContact O-N 3.26Å; S169-R172 CarbonylContact O-C 3.55Å; S169-R172 WeakPolarHBondContact O-CB 3.33Å; S169-R172 PolarHBondContact O-N 3.23Å; S169-R172 VanDerWaalsContact O-N 3.11Å; K170-R172 VanDerWaalsContact C-N 3.33Å; K170-R172 PolarHBondContact O-N 3.45Å; R172-E174 VanDerWaalsContact C-N 3.34Å
173	D	67.8	Low	63.7	Low	100 Å²	100	74.5 Å²	74.5	54%	0.535	40%	0.401	S	S	.	.	H	α-helix	trans	-77.6	-13.2	-178.9	-65.5	-31.6	0	0	0	113.4	S169 K170 C171 Y175 K192	S169-D173 WeakPolarHBondContact O-CB 3.38Å; S169-D173 PolarHBondContact O-N 3.25Å; S169-D173 VanDerWaalsContact O-OD2 3.09Å; K170-D173 CarbonylContact O-C 3.57Å; K170-D173 WeakPolarHBondContact O-CA 3.47Å; K170-D173 PolarHBondContact O-N 3.37Å; K170-D173 VanDerWaalsContact O-N 3.07Å; C171-D173 VanDerWaalsContact C-N 3.34Å; D173-Y175 VanDerWaalsContact C-N 3.35Å; D173-K192 VanDerWaalsContact O-CD 3.28Å; D173-K192 WeakPolarHBondContact O-CD 3.49Å; D173-K192 WeakPolarHBondContact O-CE 3.46Å; D173-K192 PolarHBondContact O-NZ 3.29Å
174	E	75.5	Confident	65	Low	71 Å²	71	74.3 Å²	74.3	33%	0.332	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-18	175.4	-81.3	165.7	-161.1	0	0	113.7	K170 R172 K192	K170-E174 WeakPolarHBondContact O-CG 3.41Å; K170-E174 PolarHBondContact O-N 3.32Å; R172-E174 VanDerWaalsContact C-N 3.34Å; E174-K192 WeakPolarHBondContact O-CB 3.31Å; E174-K192 WeakPolarHBondContact O-CG 3.49Å; E174-K192 PolarHBondContact O-N 3.39Å
175	Y	77.9	Confident	66.5	Low	43 Å²	43	69 Å²	69	17%	0.169	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.5	-175.3	-58.2	-95.6	0	0	0	111.7	C171 D173 V189 M190 N191 K192 Y198 W238 L338	C171-Y175 WeakPolarHBondContact O-CD2 3.49Å; C171-Y175 WeakPolarHBondContact O-CE2 3.47Å; D173-Y175 VanDerWaalsContact C-N 3.35Å; Y175-V189 HydrophobicContact CD1-CB 4.34Å; Y175-V189 HydrophobicContact CD1-CG2 3.75Å; Y175-V189 HydrophobicContact CG-CG2 4.37Å; Y175-M190 CarbonylContact C-O 3.56Å; Y175-M190 WeakPolarHBondContact CA-O 3.41Å; Y175-N191 HydrophobicContact CD1-CB 3.85Å; Y175-N191 HydrophobicContact CE1-CB 3.66Å; Y175-K192 WeakPolarHBondContact O-CE 3.36Å; Y175-Y198 HydrophobicContact CE1-CD2 4.43Å; Y175-W238 HydrophobicContact CD2-CH2 4.22Å; Y175-W238 HydrophobicContact CD2-CZ2 4.46Å; Y175-W238 AromaticContact CE2-CH2 3.85Å; Y175-W238 HydrophobicContact CE2-CH2 3.85Å; Y175-W238 HydrophobicContact CE2-CZ2 4.4Å; Y175-L338 HydrophobicContact CE1-CD1 3.56Å; Y175-L338 HydrophobicContact CE1-CD2 4.23Å; Y175-L338 HydrophobicContact CE2-CD1 4.43Å; Y175-L338 WeakPolarHBondContact OH-CD1 3.35Å
176	F	80.3	Confident	68.4	Low	112 Å²	112	67.2 Å²	67.2	49%	0.491	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.3	169.5	179.8	-99.8	0	0	0	108.8	L178 V189 M190	F176-L178 HydrophobicContact CD1-CD2 3.83Å; F176-L178 HydrophobicContact CD1-CG 4.47Å; F176-L178 HydrophobicContact CE1-CD2 4.01Å; F176-L178 PolarHBondContact O-N 3.45Å; F176-V189 CarbonylContact O-C 3.53Å; F176-V189 VanDerWaalsContact O-CA 3.29Å; F176-V189 WeakPolarHBondContact O-CA 3.39Å; F176-M190 PolarHBondContact N-O 3.07Å; F176-M190 PolarHBondContact O-N 3.02Å
177	E	77.6	Confident	70	Confident	72 Å²	72	66 Å²	66	34%	0.336	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	119.8	-179.5	-162.8	165.8	151.3	0	0	110.5	V189 K202 L275	E177-V189 HydrophobicContact CB-CG1 4.42Å; E177-V189 HydrophobicContact CG-CG1 4.27Å; E177-K202 IonicContact OE2-NZ 2.8Å; E177-K202 PolarHBondContact OE2-NZ 2.97Å; E177-L275 WeakPolarHBondContact OE1-CD1 3.41Å; E177-L275 WeakPolarHBondContact OE1-CD2 3.4Å; E177-L275 WeakPolarHBondContact OE1-CG 3.44Å
178	L	82.1	Confident	71.9	Confident	73 Å²	73	66.9 Å²	66.9	38%	0.382	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-49.1	-174.5	-67.6	172.3	0	0	0	112.3	F176 K188 M190 V197	F176-L178 HydrophobicContact CD1-CD2 3.83Å; F176-L178 HydrophobicContact CD1-CG 4.47Å; F176-L178 HydrophobicContact CE1-CD2 4.01Å; F176-L178 PolarHBondContact O-N 3.45Å; L178-K188 HydrophobicContact CB-CB 4.39Å; L178-K188 HydrophobicContact CB-CG 4.42Å; L178-K188 WeakPolarHBondContact CB-O 3.34Å; L178-K188 HydrophobicContact CD1-CD 4.49Å; L178-K188 HydrophobicContact CD1-CG 4.12Å; L178-K188 PolarHBondContact N-O 2.79Å; L178-M190 HydrophobicContact CD1-CB 4.01Å; L178-M190 HydrophobicContact CD2-CB 4.27Å; L178-M190 HydrophobicContact CG-CB 4.14Å; L178-V197 HydrophobicContact CD1-CB 4.46Å; L178-V197 HydrophobicContact CD1-CG1 3.64Å; L178-V197 HydrophobicContact CD1-CG2 3.96Å
179	S	83.3	Confident	73.5	Confident	53 Å²	53	66.1 Å²	66.1	37%	0.371	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	153.1	-173.6	63	0	0	0	0	112.1	G187 K188	S179-G187 CarbonylContact O-C 3.53Å; S179-K188 PolarHBondContact N-O 2.87Å; S179-K188 WeakPolarHBondContact O-CB 3.08Å; S179-K188 PolarHBondContact O-N 3.15Å; S179-K188 WeakPolarHBondContact OG-CB 3.38Å
180	V	82.6	Confident	75.1	Confident	83 Å²	83	66 Å²	66	50%	0.503	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	136	166.6	-176.5	0	0	0	0	109.8	G182 F186 L275	V180-G182 WeakPolarHBondContact CG1-O 3.16Å; V180-F186 WeakPolarHBondContact CG1-O 3.48Å; V180-L275 HydrophobicContact CG2-CD2 3.47Å; V180-L275 VanDerWaalsContact CG2-CD2 3.47Å
181	L	81	Confident	76.5	Confident	87 Å²	87	61.9 Å²	61.9	46%	0.455	34%	0.342	S	S	.	.			trans	-93.4	-15.5	-179.2	-75	-180	0	0	0	114.2	F186 G187 K188 A199	L181-F186 HydrophobicContact CB-CB 4.18Å; L181-F186 PolarHBondContact N-O 3.05Å; L181-G187 VanDerWaalsContact CD1-O 3.25Å; L181-G187 WeakPolarHBondContact CD1-O 3.47Å; L181-K188 HydrophobicContact CD1-CB 4.21Å; L181-K188 HydrophobicContact CD2-CB 3.9Å; L181-K188 HydrophobicContact CD2-CD 4.09Å; L181-K188 HydrophobicContact CD2-CG 4.38Å; L181-K188 HydrophobicContact CG-CB 3.88Å; L181-A199 HydrophobicContact CD1-CB 3.75Å
182	G	72.8	Confident	77.9	Confident	38 Å²	38	65.8 Å²	65.8	39%	0.392	36%	0.356	S	S	.	.	S	Bend	trans	178.5	-173.1	179	0	0	0	0	0	112.5	V180	V180-G182 WeakPolarHBondContact CG1-O 3.16Å
183	S	67.2	Low	78.8	Confident	117 Å²	117	66.7 Å²	66.7	82%	0.818	37%	0.369	S	S	*	.	S	Bend	trans	-71.7	129.9	171.1	43.6	0	0	0	0	110.9
184	G	70.3	Confident	79.7	Confident	34 Å²	34	64.7 Å²	64.7	35%	0.351	36%	0.358	S	S	.	.	S	Bend	trans	112.7	-159.6	-177.5	0	0	0	0	0	112.9	F186	G184-F186 PolarHBondContact O-N 3.41Å; G184-F186 VanDerWaalsContact O-N 3.13Å
185	G	70.5	Confident	80.1	Confident	28 Å²	28	65.4 Å²	65.4	29%	0.289	37%	0.371	S	S	.	.	S	Bend	trans	-80	23.8	-176.4	0	0	0	0	0	115.5	K201 K202	G185-K201 CarbonylContact O-C 3.58Å; G185-K201 WeakPolarHBondContact O-CA 3.05Å; G185-K202 PolarHBondContact O-N 3.17Å
186	F	81.9	Confident	80.5	Confident	90 Å²	90	70.4 Å²	70.4	40%	0.395	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.3	-173.4	-64	-85.5	0	0	0	112	V180 L181 G184 L200 K201	V180-F186 WeakPolarHBondContact CG1-O 3.48Å; L181-F186 HydrophobicContact CB-CB 4.18Å; L181-F186 PolarHBondContact N-O 3.05Å; G184-F186 PolarHBondContact O-N 3.41Å; G184-F186 VanDerWaalsContact O-N 3.13Å; F186-L200 CarbonylContact C-O 3.45Å; F186-L200 WeakPolarHBondContact CA-O 3.17Å; F186-K201 HydrophobicContact CD1-CB 4.21Å; F186-K201 HydrophobicContact CD1-CD 4.32Å; F186-K201 HydrophobicContact CD1-CG 3.97Å; F186-K201 HydrophobicContact CE1-CB 4.28Å; F186-K201 HydrophobicContact CE1-CD 3.59Å; F186-K201 HydrophobicContact CE1-CG 3.74Å; F186-K201 HydrophobicContact CZ-CD 3.96Å; F186-K201 HydrophobicContact CZ-CG 4.26Å
187	G	83.5	Confident	80.8	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	169.3	175.7	0	0	0	0	0	112.5	S179 L181 L200	S179-G187 CarbonylContact O-C 3.53Å; L181-G187 VanDerWaalsContact CD1-O 3.25Å; L181-G187 WeakPolarHBondContact CD1-O 3.47Å; G187-L200 PolarHBondContact N-O 3.02Å; G187-L200 PolarHBondContact O-N 2.87Å
188	K	85.8	Confident	81.4	Confident	72 Å²	72	64.5 Å²	64.5	31%	0.313	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.8	172.6	-168.6	172.5	-175.6	158.5	0	107.1	L178 S179 L181 V197 Y198	L178-K188 HydrophobicContact CB-CB 4.39Å; L178-K188 HydrophobicContact CB-CG 4.42Å; L178-K188 WeakPolarHBondContact CB-O 3.34Å; L178-K188 HydrophobicContact CD1-CD 4.49Å; L178-K188 HydrophobicContact CD1-CG 4.12Å; L178-K188 PolarHBondContact N-O 2.79Å; S179-K188 PolarHBondContact N-O 2.87Å; S179-K188 WeakPolarHBondContact O-CB 3.08Å; S179-K188 PolarHBondContact O-N 3.15Å; S179-K188 WeakPolarHBondContact OG-CB 3.38Å; L181-K188 HydrophobicContact CD1-CB 4.21Å; L181-K188 HydrophobicContact CD2-CB 3.9Å; L181-K188 HydrophobicContact CD2-CD 4.09Å; L181-K188 HydrophobicContact CD2-CG 4.38Å; L181-K188 HydrophobicContact CG-CB 3.88Å; K188-V197 HydrophobicContact CD-CG1 4.02Å; K188-V197 HydrophobicContact CG-CG1 3.58Å; K188-Y198 WeakPolarHBondContact CA-O 3.47Å
189	V	83.7	Confident	81.6	Confident	2 Å²	2	62 Å²	62	1%	0.012	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.9	-179.3	-62.4	0	0	0	0	111.4	Y175 F176 E177 V197 Y198 L200 L338	Y175-V189 HydrophobicContact CD1-CB 4.34Å; Y175-V189 HydrophobicContact CD1-CG2 3.75Å; Y175-V189 HydrophobicContact CG-CG2 4.37Å; F176-V189 CarbonylContact O-C 3.53Å; F176-V189 VanDerWaalsContact O-CA 3.29Å; F176-V189 WeakPolarHBondContact O-CA 3.39Å; E177-V189 HydrophobicContact CB-CG1 4.42Å; E177-V189 HydrophobicContact CG-CG1 4.27Å; V189-V197 CarbonylContact O-C 3.6Å; V189-V197 WeakPolarHBondContact O-CA 3.33Å; V189-Y198 PolarHBondContact N-O 2.96Å; V189-Y198 PolarHBondContact O-N 3.04Å; V189-L200 HydrophobicContact CB-CD1 4.39Å; V189-L200 HydrophobicContact CG1-CB 4.02Å; V189-L200 HydrophobicContact CG1-CD1 3.43Å; V189-L200 VanDerWaalsContact CG1-CD1 3.43Å; V189-L200 HydrophobicContact CG1-CG 4.33Å; V189-L200 HydrophobicContact CG2-CB 4.1Å; V189-L200 HydrophobicContact CG2-CD1 4.06Å; V189-L338 HydrophobicContact CG2-CD2 3.83Å
190	M	84.2	Confident	81.8	Confident	62 Å²	62	60 Å²	60	31%	0.305	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.3	166.5	-175.6	172.8	-77.9	0	0	108.8	Y175 F176 L178 R196 V197	Y175-M190 CarbonylContact C-O 3.56Å; Y175-M190 WeakPolarHBondContact CA-O 3.41Å; F176-M190 PolarHBondContact N-O 3.07Å; F176-M190 PolarHBondContact O-N 3.02Å; L178-M190 HydrophobicContact CD1-CB 4.01Å; L178-M190 HydrophobicContact CD2-CB 4.27Å; L178-M190 HydrophobicContact CG-CB 4.14Å; M190-R196 CarbonylContact C-O 3.48Å; M190-R196 VanDerWaalsContact CA-O 3.28Å; M190-R196 WeakPolarHBondContact CA-O 3.35Å; M190-V197 HydrophobicContact CB-CG2 4.48Å; M190-V197 HydrophobicContact CE-CG2 3.61Å; M190-V197 HydrophobicContact CG-CG2 4.49Å
191	N	82.5	Confident	81.9	Confident	19 Å²	19	59.2 Å²	59.2	10%	0.102	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.2	168.8	167.8	6.8	0	0	0	108.6	Y175 N193 D194 S195 R196 Y198	Y175-N191 HydrophobicContact CD1-CB 3.85Å; Y175-N191 HydrophobicContact CE1-CB 3.66Å; N191-N193 PolarHBondContact O-N 3.46Å; N191-N193 WeakPolarHBondContact OD1-CB 3.44Å; N191-N193 PolarHBondContact OD1-N 3.39Å; N191-D194 WeakPolarHBondContact CB-OD1 3.17Å; N191-D194 PolarHBondContact ND2-OD1 3.06Å; N191-D194 PolarHBondContact ND2-OD2 3.08Å; N191-S195 WeakPolarHBondContact O-CA 3.27Å; N191-S195 PolarHBondContact O-N 3.41Å; N191-S195 VanDerWaalsContact O-N 3.08Å; N191-R196 PolarHBondContact N-O 2.87Å; N191-Y198 HydrophobicContact CB-CD2 4.2Å; N191-Y198 HydrophobicContact CB-CE2 3.76Å
192	K	83.5	Confident	81.9	Confident	115 Å²	115	57.9 Å²	57.9	50%	0.5	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.7	-175.9	-65.2	175.3	-170.2	174.5	0	112.7	D173 E174 Y175	D173-K192 VanDerWaalsContact O-CD 3.28Å; D173-K192 WeakPolarHBondContact O-CD 3.49Å; D173-K192 WeakPolarHBondContact O-CE 3.46Å; D173-K192 PolarHBondContact O-NZ 3.29Å; E174-K192 WeakPolarHBondContact O-CB 3.31Å; E174-K192 WeakPolarHBondContact O-CG 3.49Å; E174-K192 PolarHBondContact O-N 3.39Å; Y175-K192 WeakPolarHBondContact O-CE 3.36Å
193	N	81.4	Confident	82.1	Confident	130 Å²	130	57.8 Å²	57.8	70%	0.695	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-33.4	-172.3	-63.8	-2	0	0	0	113.2	N191	N191-N193 PolarHBondContact O-N 3.46Å; N191-N193 WeakPolarHBondContact OD1-CB 3.44Å; N191-N193 PolarHBondContact OD1-N 3.39Å
194	D	85.2	Confident	82.3	Confident	57 Å²	57	54.6 Å²	54.6	31%	0.305	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-6.5	-177.9	67	11.5	0	0	0	113.6	N191 R196 Y198	N191-D194 WeakPolarHBondContact CB-OD1 3.17Å; N191-D194 PolarHBondContact ND2-OD1 3.06Å; N191-D194 PolarHBondContact ND2-OD2 3.08Å; D194-R196 HydrophobicContact CB-CG 4.12Å; D194-R196 PolarHBondContact O-N 3.37Å; D194-R196 VanDerWaalsContact O-N 3.12Å; D194-R196 WeakPolarHBondContact OD1-CA 3.33Å; D194-R196 VanDerWaalsContact OD1-CB 3.3Å; D194-R196 WeakPolarHBondContact OD1-CB 3.4Å; D194-R196 PolarHBondContact OD1-N 3.04Å; D194-Y198 PolarHBondContact OD2-OH 3.41Å
195	S	85.1	Confident	82.3	Confident	86 Å²	86	53 Å²	53	60%	0.601	27%	0.27	S	S	*	.			trans	54.9	16.5	-171.6	-53.9	0	0	0	0	114.9	N191	N191-S195 WeakPolarHBondContact O-CA 3.27Å; N191-S195 PolarHBondContact O-N 3.41Å; N191-S195 VanDerWaalsContact O-N 3.08Å
196	R	86.3	Confident	81.6	Confident	148 Å²	148	53.5 Å²	53.5	56%	0.558	27%	0.265	S	S	*	.			trans	-85.5	154.2	178.2	-64.1	-179.9	174.2	-163.2	-1	110.5	M190 N191 D194 Y198	M190-R196 CarbonylContact C-O 3.48Å; M190-R196 VanDerWaalsContact CA-O 3.28Å; M190-R196 WeakPolarHBondContact CA-O 3.35Å; N191-R196 PolarHBondContact N-O 2.87Å; D194-R196 HydrophobicContact CB-CG 4.12Å; D194-R196 PolarHBondContact O-N 3.37Å; D194-R196 VanDerWaalsContact O-N 3.12Å; D194-R196 WeakPolarHBondContact OD1-CA 3.33Å; D194-R196 VanDerWaalsContact OD1-CB 3.3Å; D194-R196 WeakPolarHBondContact OD1-CB 3.4Å; D194-R196 PolarHBondContact OD1-N 3.04Å; R196-Y198 HydrophobicContact CB-CD2 4.5Å; R196-Y198 HydrophobicContact CB-CE2 3.63Å; R196-Y198 WeakPolarHBondContact CD-OH 3.32Å
197	V	87.3	Confident	80.4	Confident	46 Å²	46	53 Å²	53	28%	0.279	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.1	-175.1	-176.4	0	0	0	0	109.8	L178 K188 V189 M190	L178-V197 HydrophobicContact CD1-CB 4.46Å; L178-V197 HydrophobicContact CD1-CG1 3.64Å; L178-V197 HydrophobicContact CD1-CG2 3.96Å; K188-V197 HydrophobicContact CD-CG1 4.02Å; K188-V197 HydrophobicContact CG-CG1 3.58Å; V189-V197 CarbonylContact O-C 3.6Å; V189-V197 WeakPolarHBondContact O-CA 3.33Å; M190-V197 HydrophobicContact CB-CG2 4.48Å; M190-V197 HydrophobicContact CE-CG2 3.61Å; M190-V197 HydrophobicContact CG-CG2 4.49Å
198	Y	88.3	Confident	79.3	Confident	15 Å²	15	54.2 Å²	54.2	6%	0.059	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.5	-174.3	-58.5	-81.7	0	0	0	110.2	Y175 K188 V189 N191 D194 R196 Y235 F339	Y175-Y198 HydrophobicContact CE1-CD2 4.43Å; K188-Y198 WeakPolarHBondContact CA-O 3.47Å; V189-Y198 PolarHBondContact N-O 2.96Å; V189-Y198 PolarHBondContact O-N 3.04Å; N191-Y198 HydrophobicContact CB-CD2 4.2Å; N191-Y198 HydrophobicContact CB-CE2 3.76Å; D194-Y198 PolarHBondContact OD2-OH 3.41Å; R196-Y198 HydrophobicContact CB-CD2 4.5Å; R196-Y198 HydrophobicContact CB-CE2 3.63Å; R196-Y198 WeakPolarHBondContact CD-OH 3.32Å; Y198-Y235 AromaticContact CD1-CD2 3.61Å; Y198-Y235 HydrophobicContact CD1-CD2 3.61Å; Y198-Y235 AromaticContact CD1-CE2 3.6Å; Y198-Y235 HydrophobicContact CD1-CE2 3.6Å; Y198-Y235 HydrophobicContact CD1-CG 4.22Å; Y198-Y235 HydrophobicContact CE1-CD1 4.08Å; Y198-Y235 AromaticContact CE1-CD2 3.7Å; Y198-Y235 HydrophobicContact CE1-CD2 3.7Å; Y198-Y235 AromaticContact CE1-CE1 3.92Å; Y198-Y235 HydrophobicContact CE1-CE1 3.92Å; Y198-Y235 AromaticContact CE1-CE2 3.51Å; Y198-Y235 HydrophobicContact CE1-CE2 3.51Å; Y198-Y235 AromaticContact CE1-CG 3.97Å; Y198-Y235 HydrophobicContact CE1-CG 3.97Å; Y198-Y235 AromaticContact CE1-CZ 3.63Å; Y198-F339 CarbonylContact C-O 3.54Å; Y198-F339 WeakPolarHBondContact CA-O 3.14Å
199	A	88	Confident	78.4	Confident	19 Å²	19	52.3 Å²	52.3	16%	0.157	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	135.6	164.6	0	0	0	0	0	108.8	L181 L338 F339 C341	L181-A199 HydrophobicContact CD1-CB 3.75Å; A199-L338 CarbonylContact O-C 3.59Å; A199-L338 WeakPolarHBondContact O-CA 3.48Å; A199-F339 HydrophobicContact CB-CB 4.12Å; A199-F339 PolarHBondContact N-O 3.41Å; A199-F339 PolarHBondContact O-N 2.92Å; A199-C341 PolarHBondContact N-SG 2.76Å
200	L	85.9	Confident	77.8	Confident	11 Å²	11	52.6 Å²	52.6	6%	0.058	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.3	-175.7	-177.9	159.7	0	0	0	109.1	F186 G187 V189 K202 V336 G337 L338	F186-L200 CarbonylContact C-O 3.45Å; F186-L200 WeakPolarHBondContact CA-O 3.17Å; G187-L200 PolarHBondContact N-O 3.02Å; G187-L200 PolarHBondContact O-N 2.87Å; V189-L200 HydrophobicContact CB-CD1 4.39Å; V189-L200 HydrophobicContact CG1-CB 4.02Å; V189-L200 HydrophobicContact CG1-CD1 3.43Å; V189-L200 VanDerWaalsContact CG1-CD1 3.43Å; V189-L200 HydrophobicContact CG1-CG 4.33Å; V189-L200 HydrophobicContact CG2-CB 4.1Å; V189-L200 HydrophobicContact CG2-CD1 4.06Å; L200-K202 HydrophobicContact CD2-CD 4.03Å; L200-K202 VanDerWaalsContact CD2-CE 3.44Å; L200-K202 HydrophobicContact CD2-CG 3.34Å; L200-V336 HydrophobicContact CD1-CG1 3.57Å; L200-V336 HydrophobicContact CD2-CG1 3.82Å; L200-V336 HydrophobicContact CG-CG1 3.57Å; L200-G337 CarbonylContact C-O 3.57Å; L200-G337 WeakPolarHBondContact CA-O 3.46Å; L200-L338 HydrophobicContact CB-CD2 4.23Å; L200-L338 HydrophobicContact CD1-CD2 4.28Å; L200-L338 HydrophobicContact CG-CD2 4.33Å
201	K	86.5	Confident	77.3	Confident	67 Å²	67	52 Å²	52	29%	0.291	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	113	174.5	-169.8	-177.8	-174.9	176.3	0	110.9	G185 F186 V203 V336 G337 F339	G185-K201 CarbonylContact O-C 3.58Å; G185-K201 WeakPolarHBondContact O-CA 3.05Å; F186-K201 HydrophobicContact CD1-CB 4.21Å; F186-K201 HydrophobicContact CD1-CD 4.32Å; F186-K201 HydrophobicContact CD1-CG 3.97Å; F186-K201 HydrophobicContact CE1-CB 4.28Å; F186-K201 HydrophobicContact CE1-CD 3.59Å; F186-K201 HydrophobicContact CE1-CG 3.74Å; F186-K201 HydrophobicContact CZ-CD 3.96Å; F186-K201 HydrophobicContact CZ-CG 4.26Å; K201-V203 HydrophobicContact CD-CG2 4.24Å; K201-V203 HydrophobicContact CG-CG2 4.14Å; K201-V336 WeakPolarHBondContact O-CA 3.28Å; K201-G337 PolarHBondContact N-O 2.85Å; K201-G337 PolarHBondContact O-N 2.82Å; K201-F339 HydrophobicContact CB-CD2 4.45Å; K201-F339 HydrophobicContact CB-CE2 3.89Å
202	K	80.2	Confident	77	Confident	60 Å²	60	52.1 Å²	52.1	26%	0.261	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.9	171.7	-51.1	-175.1	-173.5	166.7	0	109.1	E177 G185 L200 L275 F334 I335 V336	E177-K202 IonicContact OE2-NZ 2.8Å; E177-K202 PolarHBondContact OE2-NZ 2.97Å; G185-K202 PolarHBondContact O-N 3.17Å; L200-K202 HydrophobicContact CD2-CD 4.03Å; L200-K202 VanDerWaalsContact CD2-CE 3.44Å; L200-K202 HydrophobicContact CD2-CG 3.34Å; K202-L275 HydrophobicContact CD-CD1 4.05Å; K202-F334 HydrophobicContact CB-CB 4.32Å; K202-F334 HydrophobicContact CB-CD1 3.92Å; K202-F334 HydrophobicContact CB-CG 4.38Å; K202-I335 CarbonylContact C-O 3.37Å; K202-I335 WeakPolarHBondContact CA-O 3.33Å; K202-V336 HydrophobicContact CG-CG2 4.44Å
203	V	77.6	Confident	76.6	Confident	35 Å²	35	46.7 Å²	46.7	21%	0.212	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	110.9	177.3	-178.2	0	0	0	0	109.7	K201 F205 V216 F334 I335	K201-V203 HydrophobicContact CD-CG2 4.24Å; K201-V203 HydrophobicContact CG-CG2 4.14Å; V203-F205 WeakPolarHBondContact O-CD2 3.42Å; V203-V216 HydrophobicContact CB-CG1 4.49Å; V203-V216 HydrophobicContact CG1-CG1 3.93Å; V203-V216 HydrophobicContact CG1-CG2 4.24Å; V203-F334 VanDerWaalsContact O-CA 3.22Å; V203-F334 WeakPolarHBondContact O-CA 3.34Å; V203-I335 HydrophobicContact CB-CB 4.44Å; V203-I335 PolarHBondContact N-O 3.12Å; V203-I335 PolarHBondContact O-N 3.08Å
204	N	71.2	Confident	76.4	Confident	51 Å²	51	42.5 Å²	42.5	27%	0.273	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	134.9	-171.3	-161	-13.9	0	0	0	113.1	I206 L208 F334	N204-I206 VanDerWaalsContact ND2-CD1 3.33Å; N204-I206 WeakPolarHBondContact ND2-CD1 3.19Å; N204-I206 WeakPolarHBondContact OD1-CB 3.47Å; N204-I206 WeakPolarHBondContact OD1-CD1 3.04Å; N204-I206 WeakPolarHBondContact OD1-CG1 3.33Å; N204-I206 PolarHBondContact OD1-N 3.32Å; N204-L208 VanDerWaalsContact O-CD1 3.26Å; N204-L208 WeakPolarHBondContact O-CD1 3.45Å; N204-L208 WeakPolarHBondContact O-CG 3.47Å; N204-F334 VanDerWaalsContact CA-CD1 3.41Å; N204-F334 HydrophobicContact CB-CD1 3.63Å; N204-F334 HydrophobicContact CB-CE1 3.35Å; N204-F334 HydrophobicContact CB-CZ 4.17Å
205	F	70.1	Confident	76.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.			trans	-88.8	-24.8	174.3	-76.5	-123.3	0	0	0	113	I112 V203 N207 L208 C213 L217 L239 F329 A333 I335	I112-F205 HydrophobicContact CD1-CD1 4.16Å; I112-F205 HydrophobicContact CD1-CE1 4.06Å; V203-F205 WeakPolarHBondContact O-CD2 3.42Å; F205-N207 PolarHBondContact O-N 3.35Å; F205-L208 PolarHBondContact O-N 3.49Å; F205-C213 HydrophobicContact CD1-CB 4.1Å; F205-C213 WeakPolarHBondContact CD1-SG 3.4Å; F205-C213 HydrophobicContact CE1-CB 3.76Å; F205-C213 VanDerWaalsContact CE1-SG 3.51Å; F205-L217 HydrophobicContact CE1-CD1 4.41Å; F205-L217 HydrophobicContact CZ-CG 4.38Å; F205-L239 HydrophobicContact CD2-CD2 4.47Å; F205-L239 HydrophobicContact CE1-CD2 4.29Å; F205-L239 HydrophobicContact CE2-CD2 3.98Å; F205-L239 HydrophobicContact CZ-CD2 3.89Å; F205-F329 CarbonylContact C-O 3.59Å; F205-F329 HydrophobicContact CB-CB 3.77Å; F205-F329 HydrophobicContact CB-CG 4.33Å; F205-F329 HydrophobicContact CD1-CB 4.44Å; F205-F329 HydrophobicContact CD1-CD1 4.06Å; F205-F329 HydrophobicContact CD1-CE1 4.39Å; F205-F329 HydrophobicContact CD1-CG 4.12Å; F205-F329 WeakPolarHBondContact O-CB 3.32Å; F205-A333 HydrophobicContact CB-CB 4.03Å; F205-A333 VanDerWaalsContact CB-O 3.32Å; F205-A333 WeakPolarHBondContact CB-O 3.33Å; F205-A333 WeakPolarHBondContact CD2-O 2.79Å; F205-A333 HydrophobicContact CG-CB 4.19Å; F205-A333 PolarHBondContact N-O 3.49Å; F205-I335 HydrophobicContact CE2-CB 4.18Å; F205-I335 HydrophobicContact CE2-CD1 3.7Å; F205-I335 HydrophobicContact CE2-CG1 3.63Å; F205-I335 HydrophobicContact CZ-CD1 3.54Å; F205-I335 HydrophobicContact CZ-CG1 3.89Å
206	I	55.8	Low	76.2	Confident	38 Å²	38	44.3 Å²	44.3	20%	0.195	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-36.9	-43.4	-171.3	-69.7	167.9	0	0	0	114.8	N204 F329 V331	N204-I206 VanDerWaalsContact ND2-CD1 3.33Å; N204-I206 WeakPolarHBondContact ND2-CD1 3.19Å; N204-I206 WeakPolarHBondContact OD1-CB 3.47Å; N204-I206 WeakPolarHBondContact OD1-CD1 3.04Å; N204-I206 WeakPolarHBondContact OD1-CG1 3.33Å; N204-I206 PolarHBondContact OD1-N 3.32Å; I206-F329 CarbonylContact C-O 3.47Å; I206-F329 WeakPolarHBondContact CA-O 3.4Å; I206-F329 PolarHBondContact N-O 3.33Å; I206-V331 VanDerWaalsContact CG1-C 3.46Å; I206-V331 WeakPolarHBondContact CG1-O 3.28Å; I206-V331 PolarHBondContact N-O 3.08Å
207	N	55.9	Low	76	Confident	79 Å²	79	38.6 Å²	38.6	42%	0.422	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	0.7	-172	-69.5	-39.4	0	0	0	114.8	F205 E279	F205-N207 PolarHBondContact O-N 3.35Å; N207-E279 PolarHBondContact ND2-OE1 3.01Å
208	L	60.2	Low	75.9	Confident	26 Å²	26	45.2 Å²	45.2	14%	0.136	22%	0.215	C	C	.	.			trans	-78.2	153.2	-175.4	-64.6	-176.4	0	0	0	112.5	N204 F205 T212 C213 V216 L328	N204-L208 VanDerWaalsContact O-CD1 3.26Å; N204-L208 WeakPolarHBondContact O-CD1 3.45Å; N204-L208 WeakPolarHBondContact O-CG 3.47Å; F205-L208 PolarHBondContact O-N 3.49Å; L208-T212 HydrophobicContact CD2-CG2 3.88Å; L208-C213 WeakPolarHBondContact CB-SG 3.34Å; L208-C213 VanDerWaalsContact CD1-SG 3.52Å; L208-V216 HydrophobicContact CD1-CG2 4.4Å; L208-L328 WeakPolarHBondContact O-CB 3.3Å; L208-L328 PolarHBondContact O-N 3.09Å; L208-L328 VanDerWaalsContact O-N 3.15Å
209	H	67.8	Low	75.9	Confident	32 Å²	32	45.8 Å²	45.8	15%	0.148	23%	0.226	C	C	.	.			trans	-88.9	157.5	169.6	-169.5	-131.4	0	0	0	109.6	P211 T212 C213 T325 L328	H209-P211 VanDerWaalsContact C-CD 3.49Å; H209-P211 WeakPolarHBondContact ND1-CD 3.29Å; H209-T212 WeakPolarHBondContact O-CA 3.22Å; H209-T212 WeakPolarHBondContact O-CB 3.1Å; H209-T212 PolarHBondContact O-N 2.94Å; H209-C213 PolarHBondContact O-N 3.29Å; H209-T325 PolarHBondContact CD2-O 2.78Å; H209-T325 PolarHBondContact CD2-OG1 2.8Å; H209-T325 VanDerWaalsContact CD2-OG1 3.29Å; H209-T325 PolarHBondContact CE1-OG1 3.01Å; H209-T325 WeakPolarHBondContact NE2-CB 3.18Å; H209-T325 PolarHBondContact NE2-OG1 2.84Å; H209-L328 WeakPolarHBondContact CD2-CD1 3.5Å
210	L	70.7	Confident	75.8	Confident	9 Å²	9	46.4 Å²	46.4	5%	0.047	23%	0.227	C	C	.	.	H	α-helix	trans	-52	-47.3	-175.3	-166.8	48.1	0	0	0	113.6	P101 S103 L109 T212 C213 L214 L328 F329	P101-L210 HydrophobicContact CB-CD2 4.26Å; S103-L210 WeakPolarHBondContact OG-CD2 3.38Å; L109-L210 HydrophobicContact CD1-CD1 3.34Å; L210-T212 VanDerWaalsContact C-N 3.34Å; L210-T212 PolarHBondContact O-N 3.15Å; L210-C213 PolarHBondContact O-N 3.4Å; L210-L214 WeakPolarHBondContact O-CG 3.38Å; L210-L214 PolarHBondContact O-N 2.91Å; L210-L214 VanDerWaalsContact O-N 3.09Å; L210-L328 HydrophobicContact CB-CD1 3.83Å; L210-L328 HydrophobicContact CB-CD2 3.82Å; L210-L328 HydrophobicContact CB-CG 4.33Å; L210-L328 HydrophobicContact CD1-CD2 4.17Å; L210-L328 HydrophobicContact CD2-CD2 4.07Å; L210-L328 HydrophobicContact CG-CD2 4.25Å; L210-F329 HydrophobicContact CD1-CE1 4.38Å; L210-F329 HydrophobicContact CD1-CE2 4.19Å; L210-F329 HydrophobicContact CD1-CZ 3.52Å
211	P	73.5	Confident	75.8	Confident	48 Å²	48	50.9 Å²	50.9	31%	0.312	25%	0.246	S	C	.	.	H	α-helix	trans	-66.5	-32.8	175.9	-16.9	33.1	0	0	0	112.7	H209 L214 R215	H209-P211 VanDerWaalsContact C-CD 3.49Å; H209-P211 WeakPolarHBondContact ND1-CD 3.29Å; P211-L214 PolarHBondContact O-N 3.4Å; P211-R215 WeakPolarHBondContact O-CB 3.39Å; P211-R215 WeakPolarHBondContact O-CG 3.1Å; P211-R215 PolarHBondContact O-N 2.95Å
212	T	75.7	Confident	75.9	Confident	23 Å²	23	52 Å²	52	14%	0.141	26%	0.255	C	S	.	.	H	α-helix	trans	-67.4	-42	178.2	-33.6	0	0	0	0	110.9	L208 H209 L210 R215 V216	L208-T212 HydrophobicContact CD2-CG2 3.88Å; H209-T212 WeakPolarHBondContact O-CA 3.22Å; H209-T212 WeakPolarHBondContact O-CB 3.1Å; H209-T212 PolarHBondContact O-N 2.94Å; L210-T212 VanDerWaalsContact C-N 3.34Å; L210-T212 PolarHBondContact O-N 3.15Å; T212-R215 WeakPolarHBondContact O-CB 3.22Å; T212-R215 PolarHBondContact O-N 3.23Å; T212-V216 WeakPolarHBondContact O-CG2 3.39Å; T212-V216 PolarHBondContact O-N 3.3Å
213	C	75.4	Confident	76.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-41.8	172.9	-76.4	0	0	0	0	112.5	F205 L208 H209 L210 R215 V216 L217 F329	F205-C213 HydrophobicContact CD1-CB 4.1Å; F205-C213 WeakPolarHBondContact CD1-SG 3.4Å; F205-C213 HydrophobicContact CE1-CB 3.76Å; F205-C213 VanDerWaalsContact CE1-SG 3.51Å; L208-C213 WeakPolarHBondContact CB-SG 3.34Å; L208-C213 VanDerWaalsContact CD1-SG 3.52Å; H209-C213 PolarHBondContact O-N 3.29Å; L210-C213 PolarHBondContact O-N 3.4Å; C213-R215 VanDerWaalsContact C-N 3.32Å; C213-R215 PolarHBondContact O-N 3.46Å; C213-V216 PolarHBondContact O-N 2.72Å; C213-L217 WeakPolarHBondContact O-CB 3.23Å; C213-L217 WeakPolarHBondContact O-CD1 3.24Å; C213-L217 WeakPolarHBondContact O-CG 3.39Å; C213-L217 PolarHBondContact O-N 2.92Å; C213-F329 HydrophobicContact CB-CD2 4.21Å; C213-F329 HydrophobicContact CB-CE1 4.31Å; C213-F329 HydrophobicContact CB-CE2 3.4Å; C213-F329 VanDerWaalsContact CB-CE2 3.4Å; C213-F329 HydrophobicContact CB-CZ 3.44Å; C213-F329 VanDerWaalsContact CB-CZ 3.44Å; C213-F329 WeakPolarHBondContact SG-CD2 3.21Å; C213-F329 WeakPolarHBondContact SG-CE2 3.38Å
214	L	78.6	Confident	76.7	Confident	42 Å²	42	52.5 Å²	52.5	22%	0.22	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-39.4	173.4	-68.7	174	0	0	0	111.7	E108 L109 L210 P211 L217 R218	E108-L214 HydrophobicContact CB-CD2 3.76Å; E108-L214 HydrophobicContact CG-CD2 4.35Å; L109-L214 HydrophobicContact CD1-CD2 4.19Å; L109-L214 HydrophobicContact CD2-CD2 4.31Å; L109-L214 HydrophobicContact CG-CD2 4.02Å; L210-L214 WeakPolarHBondContact O-CG 3.38Å; L210-L214 PolarHBondContact O-N 2.91Å; L210-L214 VanDerWaalsContact O-N 3.09Å; P211-L214 PolarHBondContact O-N 3.4Å; L214-L217 PolarHBondContact O-N 3.48Å; L214-R218 WeakPolarHBondContact O-CB 3.49Å; L214-R218 PolarHBondContact O-N 2.88Å
215	R	83	Confident	77.5	Confident	157 Å²	157	59.5 Å²	59.5	59%	0.592	29%	0.29	S	S	*	.	H	α-helix	trans	-60.6	-44.7	172.2	-76.7	172.1	64.2	-173.4	-2.7	112	P211 T212 C213 R218 G219	P211-R215 WeakPolarHBondContact O-CB 3.39Å; P211-R215 WeakPolarHBondContact O-CG 3.1Å; P211-R215 PolarHBondContact O-N 2.95Å; T212-R215 WeakPolarHBondContact O-CB 3.22Å; T212-R215 PolarHBondContact O-N 3.23Å; C213-R215 VanDerWaalsContact C-N 3.32Å; C213-R215 PolarHBondContact O-N 3.46Å; R215-R218 PolarHBondContact O-N 3.2Å; R215-G219 PolarHBondContact O-N 3.23Å
216	V	83	Confident	78.5	Confident	25 Å²	25	62.3 Å²	62.3	15%	0.152	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-50.1	176.1	175.8	0	0	0	0	110.8	V203 L208 T212 C213 R218 G219 V220 I335	V203-V216 HydrophobicContact CB-CG1 4.49Å; V203-V216 HydrophobicContact CG1-CG1 3.93Å; V203-V216 HydrophobicContact CG1-CG2 4.24Å; L208-V216 HydrophobicContact CD1-CG2 4.4Å; T212-V216 WeakPolarHBondContact O-CG2 3.39Å; T212-V216 PolarHBondContact O-N 3.3Å; C213-V216 PolarHBondContact O-N 2.72Å; V216-R218 VanDerWaalsContact C-N 3.33Å; V216-R218 PolarHBondContact O-N 2.89Å; V216-G219 PolarHBondContact O-N 2.81Å; V216-G219 VanDerWaalsContact O-N 3.15Å; V216-V220 WeakPolarHBondContact O-CG2 2.94Å; V216-V220 PolarHBondContact O-N 3.2Å; V216-I335 HydrophobicContact CG1-CD1 3.87Å
217	L	82	Confident	80.1	Confident	28 Å²	28	66.2 Å²	66.2	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-41.4	178.8	-74.1	158.7	0	0	0	112	E108 L109 F205 C213 L214 V220 K221 I335	E108-L217 HydrophobicContact CB-CD1 4.22Å; L109-L217 HydrophobicContact CD2-CD1 3.62Å; F205-L217 HydrophobicContact CE1-CD1 4.41Å; F205-L217 HydrophobicContact CZ-CG 4.38Å; C213-L217 WeakPolarHBondContact O-CB 3.23Å; C213-L217 WeakPolarHBondContact O-CD1 3.24Å; C213-L217 WeakPolarHBondContact O-CG 3.39Å; C213-L217 PolarHBondContact O-N 2.92Å; L214-L217 PolarHBondContact O-N 3.48Å; L217-V220 PolarHBondContact O-N 3.41Å; L217-K221 WeakPolarHBondContact O-CB 3.26Å; L217-K221 PolarHBondContact O-N 3.23Å; L217-I335 HydrophobicContact CD2-CD1 3.68Å; L217-I335 HydrophobicContact CG-CD1 4.11Å
218	R	85.2	Confident	81.8	Confident	184 Å²	184	67.1 Å²	67.1	69%	0.694	33%	0.332	S	S	*	.	H	α-helix	trans	-65.9	-40.3	175.2	-160.9	176.7	-163.6	173.1	4.1	111.6	L214 R215 V216 K221 I222	L214-R218 WeakPolarHBondContact O-CB 3.49Å; L214-R218 PolarHBondContact O-N 2.88Å; R215-R218 PolarHBondContact O-N 3.2Å; V216-R218 VanDerWaalsContact C-N 3.33Å; V216-R218 PolarHBondContact O-N 2.89Å; R218-K221 WeakPolarHBondContact O-CB 3.4Å; R218-K221 PolarHBondContact O-N 2.82Å; R218-I222 VanDerWaalsContact O-CG1 3.31Å; R218-I222 WeakPolarHBondContact O-CG1 3.33Å; R218-I222 PolarHBondContact O-N 2.91Å
219	G	87.7	Confident	83.2	Confident	28 Å²	28	71 Å²	71	29%	0.289	36%	0.359	S	S	.	.	H	α-helix	trans	-60.8	-44.2	173.6	0	0	0	0	0	112.7	R215 V216 K221 I222 L223	R215-G219 PolarHBondContact O-N 3.23Å; V216-G219 PolarHBondContact O-N 2.81Å; V216-G219 VanDerWaalsContact O-N 3.15Å; G219-K221 PolarHBondContact O-N 3.17Å; G219-I222 WeakPolarHBondContact O-CB 3.46Å; G219-I222 PolarHBondContact O-N 3.41Å; G219-L223 WeakPolarHBondContact O-CG 3.13Å; G219-L223 PolarHBondContact O-N 3.02Å
220	V	85.3	Confident	84.3	Confident	31 Å²	31	76.2 Å²	76.2	19%	0.188	39%	0.387	C	S	.	.	H	α-helix	trans	-61.2	-43.4	174.8	172	0	0	0	0	111.7	V216 L217 I222 L223 A224 Y234 A237 I335	V216-V220 WeakPolarHBondContact O-CG2 2.94Å; V216-V220 PolarHBondContact O-N 3.2Å; L217-V220 PolarHBondContact O-N 3.41Å; V220-I222 VanDerWaalsContact C-N 3.26Å; V220-I222 PolarHBondContact O-N 3.09Å; V220-L223 PolarHBondContact O-N 3.39Å; V220-A224 WeakPolarHBondContact O-CB 3.41Å; V220-A224 PolarHBondContact O-N 2.93Å; V220-Y234 WeakPolarHBondContact CG1-OH 3.34Å; V220-A237 HydrophobicContact CG1-CB 4.21Å; V220-I335 HydrophobicContact CG2-CD1 4.25Å; V220-I335 HydrophobicContact CG2-CG2 3.9Å
221	K	85.6	Confident	85.1	Confident	105 Å²	105	78.9 Å²	78.9	46%	0.457	40%	0.401	S	S	.	.	H	α-helix	trans	-63.4	-28.8	175.4	-166.9	178.1	-167.6	173.3	0	113.2	E108 L217 R218 G219	E108-K221 IonicContact OE1-NZ 2.87Å; E108-K221 PolarHBondContact OE1-NZ 3.36Å; L217-K221 WeakPolarHBondContact O-CB 3.26Å; L217-K221 PolarHBondContact O-N 3.23Å; R218-K221 WeakPolarHBondContact O-CB 3.4Å; R218-K221 PolarHBondContact O-N 2.82Å; G219-K221 PolarHBondContact O-N 3.17Å
222	I	88.7	Confident	85.8	Confident	91 Å²	91	79.7 Å²	79.7	47%	0.467	41%	0.405	S	S	.	.	H	α-helix	trans	-76.3	-49.3	173.1	-68.3	162.3	0	0	0	110.2	R218 G219 V220 A224 R225 L226	R218-I222 VanDerWaalsContact O-CG1 3.31Å; R218-I222 WeakPolarHBondContact O-CG1 3.33Å; R218-I222 PolarHBondContact O-N 2.91Å; G219-I222 WeakPolarHBondContact O-CB 3.46Å; G219-I222 PolarHBondContact O-N 3.41Å; V220-I222 VanDerWaalsContact C-N 3.26Å; V220-I222 PolarHBondContact O-N 3.09Å; I222-A224 PolarHBondContact O-N 3.26Å; I222-R225 WeakPolarHBondContact O-CB 3.39Å; I222-R225 PolarHBondContact O-N 2.99Å; I222-L226 HydrophobicContact CG2-CD1 4.37Å
223	L	88.8	Confident	86.4	Confident	43 Å²	43	82 Å²	82	23%	0.225	41%	0.414	C	S	.	.	H	α-helix	trans	-54.9	-40.5	177.6	-71.2	170.2	0	0	0	112	G219 V220 R225 L226 Y234 F339	G219-L223 WeakPolarHBondContact O-CG 3.13Å; G219-L223 PolarHBondContact O-N 3.02Å; V220-L223 PolarHBondContact O-N 3.39Å; L223-R225 PolarHBondContact O-N 2.9Å; L223-L226 HydrophobicContact CD2-CD1 4.4Å; L223-L226 PolarHBondContact O-N 2.99Å; L223-L226 VanDerWaalsContact O-N 3.09Å; L223-Y234 HydrophobicContact CB-CD1 4.47Å; L223-Y234 HydrophobicContact CB-CD2 4.32Å; L223-Y234 HydrophobicContact CB-CG 4.15Å; L223-F339 HydrophobicContact CD1-CE1 4.27Å; L223-F339 HydrophobicContact CD1-CZ 4.28Å
224	A	86.7	Confident	87	Confident	63 Å²	63	83.4 Å²	83.4	52%	0.521	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-12.7	175.1	0	0	0	0	0	115.5	V220 I222 Y234	V220-A224 WeakPolarHBondContact O-CB 3.41Å; V220-A224 PolarHBondContact O-N 2.93Å; I222-A224 PolarHBondContact O-N 3.26Å; A224-Y234 HydrophobicContact CB-CD1 4.11Å; A224-Y234 HydrophobicContact CB-CE1 3.7Å
225	R	88.8	Confident	87.3	Confident	197 Å²	197	86 Å²	86	74%	0.743	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-8.1	178.9	-64	175.5	173.9	-168.1	-5.3	113.3	I222 L223	I222-R225 WeakPolarHBondContact O-CB 3.39Å; I222-R225 PolarHBondContact O-N 2.99Å; L223-R225 PolarHBondContact O-N 2.9Å
226	L	90.1	Very high	87.4	Confident	60 Å²	60	79.5 Å²	79.5	31%	0.314	41%	0.41	S	S	.	.			trans	-89.9	112.4	-177.1	-63.8	178.3	0	0	0	110.3	I222 L223 I231	I222-L226 HydrophobicContact CG2-CD1 4.37Å; L223-L226 HydrophobicContact CD2-CD1 4.4Å; L223-L226 PolarHBondContact O-N 2.99Å; L223-L226 VanDerWaalsContact O-N 3.09Å; L226-I231 HydrophobicContact CB-CD1 4.39Å; L226-I231 HydrophobicContact CB-CG2 4.22Å; L226-I231 HydrophobicContact CD1-CD1 4.5Å; L226-I231 HydrophobicContact CD1-CG2 4.48Å
227	V	90.2	Very high	87.4	Confident	119 Å²	119	80.1 Å²	80.1	72%	0.721	42%	0.417	S	S	*	.			trans	-128.3	104.6	174.3	-176.5	0	0	0	0	108.5
228	H	91	Very high	87.2	Confident	99 Å²	99	80.8 Å²	80.8	46%	0.458	42%	0.418	S	S	.	.			trans	-157.6	140.7	-178.5	-176.5	-94.7	0	0	0	109.5	N230 I231	H228-N230 PolarHBondContact ND1-N 2.93Å; H228-N230 VanDerWaalsContact ND1-N 3.18Å; H228-N230 PolarHBondContact O-N 3.43Å; H228-N230 VanDerWaalsContact O-N 3.13Å; H228-I231 HydrophobicContact CB-CB 4.21Å; H228-I231 HydrophobicContact CB-CD1 3.85Å; H228-I231 HydrophobicContact CB-CG1 3.94Å; H228-I231 PolarHBondContact O-N 2.87Å; H228-I231 VanDerWaalsContact O-O 3.05Å
229	P	89.5	Confident	86.7	Confident	107 Å²	107	72.9 Å²	72.9	70%	0.695	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.1	-175.8	20.7	-34.5	0	0	0	114.7
230	N	90.9	Very high	85.9	Confident	141 Å²	141	72.9 Å²	72.9	75%	0.754	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	12.1	178.7	-54.6	-16.2	0	0	0	113.5	H228	H228-N230 PolarHBondContact ND1-N 2.93Å; H228-N230 VanDerWaalsContact ND1-N 3.18Å; H228-N230 PolarHBondContact O-N 3.43Å; H228-N230 VanDerWaalsContact O-N 3.13Å
231	I	88.4	Confident	85	Confident	66 Å²	66	72.4 Å²	72.4	34%	0.338	38%	0.378	S	S	.	.	S	Bend	trans	-118.8	129.8	173.8	-60	179.4	0	0	0	107	L226 H228 H233	L226-I231 HydrophobicContact CB-CD1 4.39Å; L226-I231 HydrophobicContact CB-CG2 4.22Å; L226-I231 HydrophobicContact CD1-CD1 4.5Å; L226-I231 HydrophobicContact CD1-CG2 4.48Å; H228-I231 HydrophobicContact CB-CB 4.21Å; H228-I231 HydrophobicContact CB-CD1 3.85Å; H228-I231 HydrophobicContact CB-CG1 3.94Å; H228-I231 PolarHBondContact O-N 2.87Å; H228-I231 VanDerWaalsContact O-O 3.05Å; I231-H233 PolarHBondContact O-N 3.11Å; I231-H233 VanDerWaalsContact O-N 3.12Å
232	V	88	Confident	83.9	Confident	64 Å²	64	72.5 Å²	72.5	39%	0.388	38%	0.38	S	S	.	.			trans	-56.7	120.5	178.8	-178.2	0	0	0	0	109.2	Y234 F339 D340	V232-Y234 PolarHBondContact O-N 3.44Å; V232-F339 HydrophobicContact CG1-CB 3.86Å; V232-F339 HydrophobicContact CG1-CD1 4.17Å; V232-F339 HydrophobicContact CG1-CG 4.48Å; V232-D340 HydrophobicContact CG1-CB 4.39Å
233	H	88.3	Confident	82.2	Confident	73 Å²	73	73.4 Å²	73.4	34%	0.338	38%	0.381	S	S	.	.			trans	-64.9	131.7	-177.7	-169.4	75.8	0	0	0	110	I231 Y235 F339 D340	I231-H233 PolarHBondContact O-N 3.11Å; I231-H233 VanDerWaalsContact O-N 3.12Å; H233-Y235 AromaticContact CD2-CD1 3.85Å; H233-Y235 AromaticContact CD2-CE1 3.62Å; H233-Y235 AromaticContact CD2-CE2 3.84Å; H233-Y235 AromaticContact CD2-CZ 3.61Å; H233-F339 CarbonylContact O-C 3.59Å; H233-F339 VanDerWaalsContact O-CA 3.3Å; H233-F339 WeakPolarHBondContact O-CA 3.34Å; H233-D340 HydrophobicContact CB-CB 4.32Å; H233-D340 PolarHBondContact O-N 2.69Å
234	Y	87.5	Confident	80.2	Confident	28 Å²	28	76.6 Å²	76.6	11%	0.11	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	117	179.8	165.7	-90	0	0	0	108.7	V220 L223 A224 V232 G236 A237 L338 F339	V220-Y234 WeakPolarHBondContact CG1-OH 3.34Å; L223-Y234 HydrophobicContact CB-CD1 4.47Å; L223-Y234 HydrophobicContact CB-CD2 4.32Å; L223-Y234 HydrophobicContact CB-CG 4.15Å; A224-Y234 HydrophobicContact CB-CD1 4.11Å; A224-Y234 HydrophobicContact CB-CE1 3.7Å; V232-Y234 PolarHBondContact O-N 3.44Å; Y234-G236 WeakPolarHBondContact CE2-O 3.16Å; Y234-A237 HydrophobicContact CE2-CB 4.14Å; Y234-A237 WeakPolarHBondContact OH-CB 3.49Å; Y234-A237 PolarHBondContact OH-N 2.91Å; Y234-L338 WeakPolarHBondContact CA-O 3.5Å; Y234-F339 HydrophobicContact CD2-CD1 4.27Å; Y234-F339 AromaticContact CD2-CE1 3.72Å; Y234-F339 HydrophobicContact CD2-CE1 3.72Å; Y234-F339 HydrophobicContact CD2-CE2 4.49Å; Y234-F339 AromaticContact CD2-CZ 3.84Å; Y234-F339 HydrophobicContact CD2-CZ 3.84Å; Y234-F339 HydrophobicContact CE2-CZ 4.4Å; Y234-F339 HydrophobicContact CG-CE1 4.46Å
235	Y	85.3	Confident	77.8	Confident	96 Å²	96	79 Å²	79	38%	0.376	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-26.4	-174.3	-72.3	-83.7	0	0	0	113	Y198 H233 L338 D340	Y198-Y235 AromaticContact CD1-CD2 3.61Å; Y198-Y235 HydrophobicContact CD1-CD2 3.61Å; Y198-Y235 AromaticContact CD1-CE2 3.6Å; Y198-Y235 HydrophobicContact CD1-CE2 3.6Å; Y198-Y235 HydrophobicContact CD1-CG 4.22Å; Y198-Y235 HydrophobicContact CE1-CD1 4.08Å; Y198-Y235 AromaticContact CE1-CD2 3.7Å; Y198-Y235 HydrophobicContact CE1-CD2 3.7Å; Y198-Y235 AromaticContact CE1-CE1 3.92Å; Y198-Y235 HydrophobicContact CE1-CE1 3.92Å; Y198-Y235 AromaticContact CE1-CE2 3.51Å; Y198-Y235 HydrophobicContact CE1-CE2 3.51Å; Y198-Y235 AromaticContact CE1-CG 3.97Å; Y198-Y235 HydrophobicContact CE1-CG 3.97Å; Y198-Y235 AromaticContact CE1-CZ 3.63Å; H233-Y235 AromaticContact CD2-CD1 3.85Å; H233-Y235 AromaticContact CD2-CE1 3.62Å; H233-Y235 AromaticContact CD2-CE2 3.84Å; H233-Y235 AromaticContact CD2-CZ 3.61Å; Y235-L338 PolarHBondContact N-O 2.73Å; Y235-D340 HydrophobicContact CE2-CB 4.03Å
236	G	85	Confident	75.3	Confident	22 Å²	22	73.2 Å²	73.2	23%	0.227	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.6	175.1	-178.7	0	0	0	0	0	112.7	Y234 L338	Y234-G236 WeakPolarHBondContact CE2-O 3.16Å; G236-L338 PolarHBondContact O-N 3.37Å
237	A	82.4	Confident	72.9	Confident	38 Å²	38	76.4 Å²	76.4	31%	0.314	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	153.5	169.2	0	0	0	0	0	111.7	V220 Y234 I335 V336	V220-A237 HydrophobicContact CG1-CB 4.21Å; Y234-A237 HydrophobicContact CE2-CB 4.14Å; Y234-A237 WeakPolarHBondContact OH-CB 3.49Å; Y234-A237 PolarHBondContact OH-N 2.91Å; A237-I335 HydrophobicContact CB-CG2 3.94Å; A237-V336 WeakPolarHBondContact CA-O 3.29Å; A237-V336 WeakPolarHBondContact CB-O 3.49Å
238	W	77.4	Confident	70	Confident	42 Å²	42	75.6 Å²	75.6	16%	0.159	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	159	172.1	56.9	100.8	0	0	0	109.9	L168 C171 Y175 I335 V336 L338	L168-W238 HydrophobicContact CD2-CB 4.2Å; C171-W238 HydrophobicContact CB-CD2 4.35Å; C171-W238 HydrophobicContact CB-CG 4.42Å; Y175-W238 HydrophobicContact CD2-CH2 4.22Å; Y175-W238 HydrophobicContact CD2-CZ2 4.46Å; Y175-W238 AromaticContact CE2-CH2 3.85Å; Y175-W238 HydrophobicContact CE2-CH2 3.85Å; Y175-W238 HydrophobicContact CE2-CZ2 4.4Å; W238-I335 WeakPolarHBondContact O-CA 3.47Å; W238-V336 HydrophobicContact CD2-CB 4.08Å; W238-V336 HydrophobicContact CD2-CG1 4.47Å; W238-V336 HydrophobicContact CH2-CB 4.42Å; W238-V336 HydrophobicContact CH2-CG1 3.79Å; W238-V336 HydrophobicContact CZ2-CB 3.87Å; W238-V336 HydrophobicContact CZ2-CG1 3.41Å; W238-V336 VanDerWaalsContact CZ2-CG1 3.41Å; W238-V336 HydrophobicContact CZ3-CG1 4.45Å; W238-V336 PolarHBondContact N-O 3.42Å; W238-V336 PolarHBondContact O-N 2.84Å; W238-L338 HydrophobicContact CH2-CD1 3.8Å; W238-L338 HydrophobicContact CH2-CD2 4.23Å; W238-L338 HydrophobicContact CH2-CG 3.86Å; W238-L338 HydrophobicContact CZ3-CD1 3.63Å; W238-L338 HydrophobicContact CZ3-CG 3.79Å
239	L	75	Confident	67	Low	18 Å²	18	79.1 Å²	79.1	9%	0.094	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	107	164.8	-78	162.1	0	0	0	107.4	T111 I112 L168 F205 A333 F334 I335	T111-L239 HydrophobicContact CG2-CD1 4.06Å; I112-L239 HydrophobicContact CG1-CD1 4.2Å; L168-L239 WeakPolarHBondContact CD1-O 3.3Å; L168-L239 WeakPolarHBondContact CD2-O 3.31Å; F205-L239 HydrophobicContact CD2-CD2 4.47Å; F205-L239 HydrophobicContact CE1-CD2 4.29Å; F205-L239 HydrophobicContact CE2-CD2 3.98Å; F205-L239 HydrophobicContact CZ-CD2 3.89Å; L239-A333 HydrophobicContact CD2-CB 4.5Å; L239-F334 CarbonylContact C-O 3.59Å; L239-F334 WeakPolarHBondContact CA-O 3.48Å; L239-I335 HydrophobicContact CD2-CD1 4.42Å; L239-I335 HydrophobicContact CD2-CG1 3.69Å; L239-I335 HydrophobicContact CG-CG1 4.24Å
240	D	71	Confident	64.2	Low	28 Å²	28	80.4 Å²	80.4	15%	0.15	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	149.7	169.5	-165.6	6.5	0	0	0	109.8	A333 F334 V336	D240-A333 CarbonylContact O-C 3.56Å; D240-A333 WeakPolarHBondContact O-CA 3.25Å; D240-F334 PolarHBondContact N-O 3.05Å; D240-F334 PolarHBondContact O-N 3.19Å; D240-V336 HydrophobicContact CB-CG2 3.94Å
241	F	66.5	Low	61.4	Low	21 Å²	21	79.8 Å²	79.8	9%	0.092	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.1	176.8	-56.5	-77.7	0	0	0	108.5	R115 L168 K243 V331 S332 A333	R115-F241 HydrophobicContact CB-CZ 4.21Å; R115-F241 HydrophobicContact CG-CE2 4.3Å; R115-F241 HydrophobicContact CG-CZ 4.17Å; L168-F241 HydrophobicContact CD1-CD2 3.51Å; L168-F241 HydrophobicContact CD1-CE2 3.55Å; F241-K243 PolarHBondContact O-N 2.81Å; F241-K243 VanDerWaalsContact O-N 3.11Å; F241-V331 HydrophobicContact CD1-CG1 3.63Å; F241-V331 HydrophobicContact CE1-CG1 4.27Å; F241-S332 WeakPolarHBondContact CA-O 3.38Å; F241-A333 HydrophobicContact CD1-CB 3.57Å; F241-A333 HydrophobicContact CE1-CB 3.55Å
242	E	61.7	Low	58.7	Low	106 Å²	106	83.4 Å²	83.4	50%	0.495	45%	0.451	S	S	.	.			trans	-57.8	126.1	179.9	-64.4	164.9	167.9	0	0	110.7	N244 S332 F334	E242-N244 PolarHBondContact O-N 3.14Å; E242-S332 VanDerWaalsContact CB-OG 3.24Å; E242-S332 WeakPolarHBondContact CB-OG 3.44Å; E242-S332 WeakPolarHBondContact CG-OG 3.4Å; E242-S332 PolarHBondContact N-O 2.82Å; E242-S332 VanDerWaalsContact N-O 3.14Å; E242-S332 WeakPolarHBondContact OE2-CB 3.48Å; E242-S332 PolarHBondContact OE2-OG 2.82Å; E242-F334 HydrophobicContact CG-CE2 3.91Å; E242-F334 WeakPolarHBondContact OE1-CE2 3.4Å
243	K	53.7	Low	56.2	Low	110 Å²	110	85.4 Å²	85.4	48%	0.478	47%	0.467	S	S	.	.			trans	-63.1	124.1	159.4	-161.5	173.4	-177.7	-176.9	0	106.6	F241 D245 E247	F241-K243 PolarHBondContact O-N 2.81Å; F241-K243 VanDerWaalsContact O-N 3.11Å; K243-D245 PolarHBondContact O-N 2.77Å; K243-E247 WeakPolarHBondContact CE-OE2 3.38Å; K243-E247 HydrophobicContact CG-CG 4.35Å; K243-E247 WeakPolarHBondContact CG-OE1 3.43Å; K243-E247 IonicContact NZ-OE2 3.61Å
244	N	46.4	Very low	53.6	Low	110 Å²	110	87.5 Å²	87.5	59%	0.588	49%	0.49	S	S	*	.			trans	-71.9	103.8	173.5	-94.2	-23.6	0	0	0	106.3	E242 G246 E247	E242-N244 PolarHBondContact O-N 3.14Å; N244-G246 PolarHBondContact O-N 2.89Å; N244-E247 VanDerWaalsContact O-CG 3.29Å; N244-E247 WeakPolarHBondContact O-CG 3.34Å
245	D	37.6	Very low	51.1	Low	114 Å²	114	91.1 Å²	91.1	61%	0.61	52%	0.52	S	S	*	.	S	Bend	trans	-67	34.7	-168.6	-64.1	-43.5	0	0	0	115.9	K243	K243-D245 PolarHBondContact O-N 2.77Å
246	G	35.2	Very low	48.7	Very low	75 Å²	75	92.7 Å²	92.7	77%	0.773	54%	0.543	S	S	*	.			trans	-95.9	24.6	163	0	0	0	0	0	113.2	N244	N244-G246 PolarHBondContact O-N 2.89Å
247	E	39.6	Very low	46.2	Very low	127 Å²	127	97.9 Å²	97.9	59%	0.593	57%	0.573	S	S	*	*			trans	-99.9	7.2	-175.5	-44.8	-166.3	-159.9	0	0	113.8	K243 N244	K243-E247 WeakPolarHBondContact CE-OE2 3.38Å; K243-E247 HydrophobicContact CG-CG 4.35Å; K243-E247 WeakPolarHBondContact CG-OE1 3.43Å; K243-E247 IonicContact NZ-OE2 3.61Å; N244-E247 VanDerWaalsContact O-CG 3.29Å; N244-E247 WeakPolarHBondContact O-CG 3.34Å
248	S	28.7	Very low	43.9	Very low	103 Å²	103	103.6 Å²	103.6	72%	0.72	60%	0.598	S	S	*	*	S	Bend	trans	-99.8	144.1	171.8	-155.5	0	0	0	0	110.5
249	E	29	Very low	41.9	Very low	173 Å²	173	109 Å²	109	81%	0.808	63%	0.629	S	S	*	*			trans	59.6	73.1	169.2	-54.8	-169	135.3	0	0	118.6
250	L	31.4	Very low	40.2	Very low	134 Å²	134	114.2 Å²	114.2	70%	0.702	67%	0.668	S	S	*	*			trans	-145.6	62.4	144.8	-80.7	-170.9	0	0	0	111.6	E252	L250-E252 PolarHBondContact O-N 2.88Å; L250-E252 VanDerWaalsContact O-N 3.14Å
251	T	30.6	Very low	38.4	Very low	127 Å²	127	124.3 Å²	124.3	78%	0.779	70%	0.703	S	S	*	*			trans	-76.9	90	163.6	-38.6	0	0	0	0	108.1	S253	T251-S253 PolarHBondContact O-N 2.97Å
252	E	32.6	Very low	37.2	Very low	143 Å²	143	132.1 Å²	132.1	67%	0.668	74%	0.74	S	S	*	*			trans	-68.7	69.1	177.1	-73.3	-179.6	174.1	0	0	111.5	R43 L250 S254	R43-E252 IonicContact NH2-OE1 3.41Å; R43-E252 PolarHBondContact NH2-OE1 3.45Å; L250-E252 PolarHBondContact O-N 2.88Å; L250-E252 VanDerWaalsContact O-N 3.14Å; E252-S254 PolarHBondContact O-N 3.41Å
253	S	34.5	Very low	36	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	76%	0.757	S	S	*	*			trans	-83	81.2	170.7	-69.2	0	0	0	0	110.4	T251 S255	T251-S253 PolarHBondContact O-N 2.97Å; S253-S255 PolarHBondContact O-N 2.93Å
254	S	33.6	Very low	35.1	Very low	116 Å²	116	133 Å²	133	81%	0.811	77%	0.771	S	S	*	*			trans	-83.3	89.4	179.5	63.4	0	0	0	0	113	E252	E252-S254 PolarHBondContact O-N 3.41Å
255	S	35.5	Very low	34.4	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	78%	0.784	S	S	*	*			trans	-166	101.6	152.3	59.4	0	0	0	0	114.2	S253	S253-S255 PolarHBondContact O-N 2.93Å
256	C	35.9	Very low	34.4	Very low	129 Å²	129	138.2 Å²	138.2	87%	0.872	80%	0.799	S	S	*	*			trans	56.5	138.8	149	-57.4	0	0	0	0	121.6
257	P	32.4	Very low	34.3	Very low	131 Å²	131	140.1 Å²	140.1	85%	0.851	80%	0.8	S	S	*	*			trans	-93.7	148.1	179.4	37.2	-33.5	0	0	0	113.4
258	D	34.6	Very low	33.9	Very low	158 Å²	158	139.6 Å²	139.6	85%	0.845	81%	0.81	S	S	*	*			trans	-147.7	160.9	151	-156.1	1.6	0	0	0	111.1
259	L	34.4	Very low	34.1	Very low	155 Å²	155	141.7 Å²	141.7	81%	0.812	81%	0.813	S	S	*	*			trans	-102.7	131	-155.5	-59.2	160.2	0	0	0	112.8
260	S	40.4	Very low	34.2	Very low	128 Å²	128	139.2 Å²	139.2	90%	0.895	81%	0.806	S	S	*	*				-179.2	149.5	129.6	35.5	0	0	0	0	114.4
261	R	33.3	Very low	34.4	Very low	239 Å²	239	136.6 Å²	136.6	90%	0.902	80%	0.799	S	S	*	*			trans	-76.9	142.8	-170.6	-48.5	138.3	87.4	112.1	1.8	111.8
262	E	40.3	Very low	34.6	Very low	185 Å²	185	133.6 Å²	133.6	86%	0.864	78%	0.783	S	S	*	*				-161.9	169.1	115.8	-125.3	-176.4	150	0	0	112.6
263	N	35.8	Very low	34.7	Very low	158 Å²	158	134 Å²	134	85%	0.845	79%	0.789	S	S	*	*			trans	-90.6	156	-163.2	-45.1	-65.6	0	0	0	113.5
264	G	35.7	Very low	34.6	Very low	76 Å²	76	132.2 Å²	132.2	78%	0.784	79%	0.788	S	S	*	*			trans	179.9	106.3	167.3	0	0	0	0	0	113.7
265	D	32.2	Very low	34.7	Very low	161 Å²	161	129.9 Å²	129.9	86%	0.861	77%	0.766	S	S	*	*			trans	-63.9	132.8	176.9	-57.9	-72	0	0	0	112.8
266	L	37	Very low	34.8	Very low	174 Å²	174	136.6 Å²	136.6	91%	0.911	78%	0.775	S	S	*	*			trans	-149.4	127.8	147	-79.1	-172.3	0	0	0	110.3	S268	L266-S268 PolarHBondContact O-N 3.41Å
267	S	32.1	Very low	34.8	Very low	115 Å²	115	140.3 Å²	140.3	80%	0.804	77%	0.771	S	S	*	*			trans	-77.7	113.8	-172.4	54.2	0	0	0	0	113.4	N269	S267-N269 PolarHBondContact O-N 3.07Å
268	S	31.3	Very low	34.8	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	76%	0.756	S	S	*	*			trans	-77.4	90.4	168	55.8	0	0	0	0	111.1	L266 D270	L266-S268 PolarHBondContact O-N 3.41Å; S268-D270 VanDerWaalsContact C-N 3.27Å; S268-D270 PolarHBondContact O-N 2.78Å; S268-D270 VanDerWaalsContact O-N 3.12Å
269	N	34.4	Very low	35	Very low	146 Å²	146	137.7 Å²	137.7	78%	0.781	75%	0.751	S	S	*	*			trans	-87.8	68.3	174.5	-140.6	65.1	0	0	0	110.8	S267 S271	S267-N269 PolarHBondContact O-N 3.07Å; N269-S271 PolarHBondContact O-N 2.78Å
270	D	30	Very low	35	Very low	122 Å²	122	135.3 Å²	135.3	65%	0.652	75%	0.747	S	S	*	*			trans	-57.3	133.2	166	179.1	18.3	0	0	0	109.5	S268 S272	S268-D270 VanDerWaalsContact C-N 3.27Å; S268-D270 PolarHBondContact O-N 2.78Å; S268-D270 VanDerWaalsContact O-N 3.12Å; D270-S272 PolarHBondContact OD1-N 3.14Å; D270-S272 VanDerWaalsContact OD1-N 3.08Å; D270-S272 PolarHBondContact OD1-OG 3.24Å; D270-S272 PolarHBondContact OD2-OG 3.11Å
271	S	35.6	Very low	35	Very low	79 Å²	79	133.7 Å²	133.7	55%	0.552	74%	0.736	S	S	*	*			trans	-133.6	40.9	-179	38	0	0	0	0	112	N269 L273	N269-S271 PolarHBondContact O-N 2.78Å; S271-L273 PolarHBondContact O-N 2.96Å
272	S	35.1	Very low	35.5	Very low	64 Å²	64	125.7 Å²	125.7	45%	0.448	72%	0.716	S	S	.	*			trans	-64.6	59.2	158.5	58.1	0	0	0	0	112.4	D270	D270-S272 PolarHBondContact OD1-N 3.14Å; D270-S272 VanDerWaalsContact OD1-N 3.08Å; D270-S272 PolarHBondContact OD1-OG 3.24Å; D270-S272 PolarHBondContact OD2-OG 3.11Å
273	L	34.8	Very low	35.3	Very low	150 Å²	150	122 Å²	122	79%	0.785	70%	0.702	S	S	*	*			trans	-107.7	106.7	-173	-63.3	-179.9	0	0	0	112.4	S271	S271-L273 PolarHBondContact O-N 2.96Å
274	G	32.2	Very low	35.2	Very low	70 Å²	70	119.3 Å²	119.3	72%	0.722	69%	0.692	S	S	*	*			trans	-74	126	-169.3	0	0	0	0	0	115.3	R276	G274-R276 PolarHBondContact O-N 3.13Å; G274-R276 VanDerWaalsContact O-N 3.09Å
275	L	36.9	Very low	34.9	Very low	67 Å²	67	120.1 Å²	120.1	35%	0.351	69%	0.69	S	S	.	*			trans	-61.2	107.3	163.9	-67.9	-175	0	0	0	110.6	E177 V180 K202 R277	E177-L275 WeakPolarHBondContact OE1-CD1 3.41Å; E177-L275 WeakPolarHBondContact OE1-CD2 3.4Å; E177-L275 WeakPolarHBondContact OE1-CG 3.44Å; V180-L275 HydrophobicContact CG2-CD2 3.47Å; V180-L275 VanDerWaalsContact CG2-CD2 3.47Å; K202-L275 HydrophobicContact CD-CD1 4.05Å; L275-R277 PolarHBondContact O-N 3.39Å; L275-R277 VanDerWaalsContact O-N 3.14Å
276	R	37.6	Very low	34.8	Very low	245 Å²	245	119.6 Å²	119.6	93%	0.925	68%	0.681	S	S	*	*			trans	-74.1	109.6	178.2	-77.7	-160.3	162.1	-133.4	-4.6	111.9	G274	G274-R276 PolarHBondContact O-N 3.13Å; G274-R276 VanDerWaalsContact O-N 3.09Å
277	R	34.6	Very low	34.4	Very low	208 Å²	208	116.1 Å²	116.1	79%	0.785	68%	0.677	S	S	*	*			trans	7.2	130.6	153.6	-65.2	-178	-179.8	178.3	-0.1	117.1	L275	L275-R277 PolarHBondContact O-N 3.39Å; L275-R277 VanDerWaalsContact O-N 3.14Å
278	S	32.4	Very low	34.3	Very low	77 Å²	77	121.8 Å²	121.8	54%	0.538	68%	0.681	S	S	.	*			trans	-135	121.4	145.8	-75	0	0	0	0	109.3	S280	S278-S280 VanDerWaalsContact C-N 3.3Å; S278-S280 PolarHBondContact O-N 3.03Å; S278-S280 VanDerWaalsContact O-N 3.17Å
279	E	38.8	Very low	34.3	Very low	157 Å²	157	121.2 Å²	121.2	73%	0.734	68%	0.677	S	S	*	*			trans	-84.7	70.3	174.9	-63	-178.8	137.4	0	0	109.1	N207	N207-E279 PolarHBondContact ND2-OE1 3.01Å
280	S	35	Very low	34.1	Very low	105 Å²	105	122.4 Å²	122.4	73%	0.734	68%	0.682	S	S	*	*			trans	-152.4	135.8	179.3	-164.6	0	0	0	0	114	S278	S278-S280 VanDerWaalsContact C-N 3.3Å; S278-S280 PolarHBondContact O-N 3.03Å; S278-S280 VanDerWaalsContact O-N 3.17Å
281	S	40.8	Very low	34.3	Very low	94 Å²	94	121.5 Å²	121.5	66%	0.657	69%	0.686	S	S	*	*			trans	59.4	101.4	176.9	-161.2	0	0	0	0	117.6	D283	S281-D283 VanDerWaalsContact C-N 3.33Å
282	S	42.7	Very low	34.3	Very low	71 Å²	71	126.5 Å²	126.5	50%	0.497	70%	0.7	S	S	.	*			trans	-88	3.6	164.7	49	0	0	0	0	113.6	V284	S282-V284 PolarHBondContact O-N 2.91Å
283	D	36.7	Very low	34.2	Very low	106 Å²	106	128.7 Å²	128.7	57%	0.567	72%	0.716	S	S	*	*			trans	-90.1	111.8	-166.1	-63.8	-34.2	0	0	0	112.5	S281 A285	S281-D283 VanDerWaalsContact C-N 3.33Å; D283-A285 VanDerWaalsContact C-N 3.33Å; D283-A285 PolarHBondContact O-N 3.18Å
284	V	34.3	Very low	34.1	Very low	103 Å²	103	125.1 Å²	125.1	62%	0.624	72%	0.715	S	S	*	*			trans	-83.5	81.8	165.3	-176.5	0	0	0	0	108.2	S282 F286	S282-V284 PolarHBondContact O-N 2.91Å; V284-F286 HydrophobicContact CG1-CD2 4.05Å; V284-F286 HydrophobicContact CG1-CE2 3.61Å; V284-F286 HydrophobicContact CG1-CZ 4.21Å; V284-F286 PolarHBondContact O-N 2.87Å
285	A	27.7	Very low	34.2	Very low	92 Å²	92	129.8 Å²	129.8	76%	0.76	72%	0.723	S	S	*	*			trans	-82.4	105	174.3	0	0	0	0	0	110.5	D283 A287	D283-A285 VanDerWaalsContact C-N 3.33Å; D283-A285 PolarHBondContact O-N 3.18Å; A285-A287 PolarHBondContact O-N 2.91Å
286	F	30.2	Very low	34	Very low	151 Å²	151	138.3 Å²	138.3	66%	0.662	75%	0.75	S	S	*	*			trans	-77.5	114	164.8	-75.1	-82.3	0	0	0	109.1	V284 R288	V284-F286 HydrophobicContact CG1-CD2 4.05Å; V284-F286 HydrophobicContact CG1-CE2 3.61Å; V284-F286 HydrophobicContact CG1-CZ 4.21Å; V284-F286 PolarHBondContact O-N 2.87Å; F286-R288 PolarHBondContact O-N 2.81Å
287	A	29.7	Very low	33.9	Very low	101 Å²	101	131.7 Å²	131.7	84%	0.835	74%	0.741	S	S	*	*			trans	-63.4	110.1	175.2	0	0	0	0	0	110	A285 S289	A285-A287 PolarHBondContact O-N 2.91Å; A287-S289 PolarHBondContact O-N 3.06Å; A287-S289 VanDerWaalsContact O-N 3.12Å
288	R	30.5	Very low	34.1	Very low	233 Å²	233	126 Å²	126	88%	0.879	73%	0.733	S	S	*	*			trans	-67.7	109.1	167	-68.5	178.8	78.2	151.8	1.2	107.3	F286 L290	F286-R288 PolarHBondContact O-N 2.81Å; R288-L290 PolarHBondContact O-N 3.07Å
289	S	30.2	Very low	34.7	Very low	105 Å²	105	129.5 Å²	129.5	73%	0.734	75%	0.746	S	S	*	*			trans	-61.3	99.3	170.3	175.6	0	0	0	0	109.2	A287 S291	A287-S289 PolarHBondContact O-N 3.06Å; A287-S289 VanDerWaalsContact O-N 3.12Å; S289-S291 PolarHBondContact O-N 3.12Å
290	L	30.3	Very low	35	Very low	170 Å²	170	131.1 Å²	131.1	89%	0.89	75%	0.754	S	S	*	*			trans	-73.6	79.8	165.5	-72	170.3	0	0	0	108.5	R288 E292	R288-L290 PolarHBondContact O-N 3.07Å; L290-E292 PolarHBondContact O-N 3.42Å
291	S	34.7	Very low	35.3	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	76%	0.758	S	S	*	*			trans	-77.7	95.9	158.9	51.7	0	0	0	0	107.7	S289	S289-S291 PolarHBondContact O-N 3.12Å
292	E	35.5	Very low	35.2	Very low	184 Å²	184	138.5 Å²	138.5	86%	0.86	77%	0.771	S	S	*	*			trans	-59.4	142.8	179.2	-160.7	169.7	-162.5	0	0	111.2	L290 G294	L290-E292 PolarHBondContact O-N 3.42Å; E292-G294 PolarHBondContact O-N 3.18Å
293	S	32.4	Very low	34.7	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	78%	0.781	S	S	*	*			trans	-68.7	116.9	-164.3	50.1	0	0	0	0	114.3
294	G	33.4	Very low	34.8	Very low	75 Å²	75	142.1 Å²	142.1	77%	0.773	80%	0.795	S	S	*	*			trans	-111.7	95.9	165.2	0	0	0	0	0	111.4	E292 R296	E292-G294 PolarHBondContact O-N 3.18Å; G294-R296 PolarHBondContact O-N 3.17Å
295	L	34.8	Very low	34.8	Very low	169 Å²	169	144.8 Å²	144.8	89%	0.885	81%	0.805	S	S	*	*			trans	-55.6	129.5	-172.2	-64.3	162.6	0	0	0	114.3
296	R	32.2	Very low	35.3	Very low	245 Å²	245	143.7 Å²	143.7	93%	0.925	80%	0.803	S	S	*	*			trans	-137.2	129.4	149.7	-59.4	-167.7	86	-176.4	4.7	108.2	G294	G294-R296 PolarHBondContact O-N 3.17Å
297	S	34.6	Very low	35.7	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	81%	0.809	S	S	*	*			trans	-87.7	169.2	-174	62.4	0	0	0	0	113
298	S	39	Very low	36.2	Very low	88 Å²	88	145.7 Å²	145.7	62%	0.615	81%	0.807	S	S	*	*			trans	69.4	128.8	152	38.3	0	0	0	0	117.6
299	D	44.8	Very low	36.4	Very low	151 Å²	151	141.2 Å²	141.2	81%	0.807	80%	0.8	S	S	*	*			cis	-158.8	174.5	-2.6	-89.7	-38.2	0	0	0	111.1
300	E	45.6	Very low	36.8	Very low	192 Å²	192	140.5 Å²	140.5	90%	0.897	79%	0.794	S	S	*	*			trans	95.2	146.6	156.9	-51.5	-145.2	151.8	0	0	120.5
301	E	40.4	Very low	37.3	Very low	176 Å²	176	136.4 Å²	136.4	82%	0.822	78%	0.78	S	S	*	*			trans	-108.6	152.4	-147.9	-52.7	174.5	127.7	0	0	113.4
302	L	38.7	Very low	37.5	Very low	178 Å²	178	140.3 Å²	140.3	93%	0.932	79%	0.787	S	S	*	*			trans	-153.3	135.2	134.3	-144.7	75.7	0	0	0	112.2
303	T	33.5	Very low	38.2	Very low	115 Å²	115	135.8 Å²	135.8	71%	0.706	78%	0.776	S	S	*	*			trans	-99.6	133.3	-169.4	53	0	0	0	0	113.7
304	T	38.6	Very low	38.7	Very low	138 Å²	138	138 Å²	138	85%	0.847	77%	0.774	S	S	*	*			trans	-179.5	95.7	144.1	24.2	0	0	0	0	106.3
305	D	34.8	Very low	39.3	Very low	159 Å²	159	140.2 Å²	140.2	85%	0.85	77%	0.768	S	S	*	*				62.8	121.8	81.7	-160.4	17.3	0	0	0	113.7
306	G	37.5	Very low	39.5	Very low	69 Å²	69	140.3 Å²	140.3	71%	0.711	76%	0.764	S	S	*	*			trans	155.6	43.4	-161.8	0	0	0	0	0	113.7	F308	G306-F308 PolarHBondContact O-N 3.5Å
307	S	38.4	Very low	40	Very low	113 Å²	113	138 Å²	138	79%	0.79	76%	0.757	S	S	*	*			trans	-68.9	99.4	175.7	57	0	0	0	0	111.3	D309	S307-D309 PolarHBondContact O-N 2.97Å
308	F	39.6	Very low	40.3	Very low	181 Å²	181	135 Å²	135	79%	0.794	73%	0.734	S	S	*	*			trans	-88.8	86.8	166.1	-169	-102	0	0	0	109.3	G306 C310	G306-F308 PolarHBondContact O-N 3.5Å; F308-C310 HydrophobicContact CD1-CB 3.97Å; F308-C310 HydrophobicContact CE1-CB 3.63Å
309	D	34.8	Very low	40.3	Very low	138 Å²	138	133.2 Å²	133.2	74%	0.738	72%	0.724	S	S	*	*			trans	-69.6	124.3	166.8	-175.5	16.2	0	0	0	108.9	S307	S307-D309 PolarHBondContact O-N 2.97Å
310	C	38.7	Very low	40	Very low	90 Å²	90	133.4 Å²	133.4	61%	0.608	72%	0.72	S	S	*	*			trans	-134	99.3	179.8	-165.7	0	0	0	0	108.1	F308 E312	F308-C310 HydrophobicContact CD1-CB 3.97Å; F308-C310 HydrophobicContact CE1-CB 3.63Å; C310-E312 PolarHBondContact O-N 2.65Å
311	S	40.8	Very low	39.7	Very low	84 Å²	84	126.7 Å²	126.7	59%	0.587	70%	0.695	S	S	*	*			trans	-62.7	127.1	-166	-42.3	0	0	0	0	112.9	S313	S311-S313 PolarHBondContact O-N 2.93Å
312	E	40.1	Very low	39.6	Very low	186 Å²	186	122.5 Å²	122.5	87%	0.869	68%	0.675	S	S	*	*	S	Bend	trans	-75.5	35.9	-176.5	-60.7	177.2	126.3	0	0	113.7	C310	C310-E312 PolarHBondContact O-N 2.65Å
313	S	49.1	Very low	39.8	Very low	89 Å²	89	123.8 Å²	123.8	62%	0.622	67%	0.667	S	S	*	*			trans	-97.3	-3.9	-169.8	56.3	0	0	0	0	116	S311	S311-S313 PolarHBondContact O-N 2.93Å
314	E	44.4	Very low	39.9	Very low	155 Å²	155	129.8 Å²	129.8	72%	0.724	68%	0.677	S	S	*	*	S	Bend	trans	-92.5	-25.5	-177.5	-62.6	-165	143.3	0	0	114.1	E316 Y317 V318	E314-E316 PolarHBondContact O-N 3Å; E314-Y317 PolarHBondContact O-N 3.3Å; E314-V318 WeakPolarHBondContact O-CG2 3.5Å; E314-V318 PolarHBondContact O-N 3.32Å
315	D	44.6	Very low	39.9	Very low	122 Å²	122	125.8 Å²	125.8	65%	0.652	65%	0.653	S	S	*	*	H	α-helix	trans	-67.5	-30.9	-169.4	-73	-47	0	0	0	114	V318 A319	D315-V318 PolarHBondContact O-N 2.86Å; D315-A319 PolarHBondContact O-N 2.99Å
316	E	40.3	Very low	40.2	Very low	172 Å²	172	126.2 Å²	126.2	80%	0.804	65%	0.647	S	S	*	*	H	α-helix	trans	-74.1	-32.1	-177.5	-161.8	168.6	-153.5	0	0	112.7	E314	E314-E316 PolarHBondContact O-N 3Å
317	Y	41.6	Very low	40.4	Very low	196 Å²	196	130.5 Å²	130.5	77%	0.769	64%	0.641	S	S	*	*	H	α-helix	trans	-72.5	-35.7	174	-97.1	-92.8	0	0	0	112.4	E314 Q320 S321	E314-Y317 PolarHBondContact O-N 3.3Å; Y317-Q320 PolarHBondContact O-N 2.77Å; Y317-S321 PolarHBondContact O-N 2.92Å
318	V	41.2	Very low	40.5	Very low	44 Å²	44	125.2 Å²	125.2	27%	0.267	61%	0.605	S	S	.	*	H	α-helix	trans	-63	-47.7	-179.9	173.3	0	0	0	0	110.7	E314 D315 Q320 S321 E322	E314-V318 WeakPolarHBondContact O-CG2 3.5Å; E314-V318 PolarHBondContact O-N 3.32Å; D315-V318 PolarHBondContact O-N 2.86Å; V318-Q320 PolarHBondContact O-N 2.69Å; V318-Q320 VanDerWaalsContact O-N 3.08Å; V318-S321 PolarHBondContact O-N 2.79Å; V318-S321 PolarHBondContact O-OG 3.12Å; V318-E322 HydrophobicContact CG1-CG 4.14Å; V318-E322 WeakPolarHBondContact O-CG 3.32Å; V318-E322 PolarHBondContact O-N 3.48Å
319	A	39.7	Very low	40.7	Very low	49 Å²	49	116.9 Å²	116.9	41%	0.405	57%	0.568	S	S	.	*	H	α-helix	trans	-59.2	-22.9	-178.8	0	0	0	0	0	114.6	D315	D315-A319 PolarHBondContact O-N 2.99Å
320	Q	38.2	Very low	41	Very low	155 Å²	155	111.3 Å²	111.3	72%	0.724	54%	0.543	S	S	*	.	H	α-helix	trans	-90	-28.2	177.7	-134.1	166.5	20.2	0	0	112.8	Y317 V318	Y317-Q320 PolarHBondContact O-N 2.77Å; V318-Q320 PolarHBondContact O-N 2.69Å; V318-Q320 VanDerWaalsContact O-N 3.08Å
321	S	38.5	Very low	41.4	Very low	52 Å²	52	107.8 Å²	107.8	36%	0.364	52%	0.519	S	S	.	.	H	α-helix	trans	-74.1	-36.4	172.2	79.4	0	0	0	0	113	Y317 V318 R323 R324 T325	Y317-S321 PolarHBondContact O-N 2.92Å; V318-S321 PolarHBondContact O-N 2.79Å; V318-S321 PolarHBondContact O-OG 3.12Å; S321-R323 PolarHBondContact O-N 2.84Å; S321-R324 PolarHBondContact O-N 2.79Å; S321-T325 PolarHBondContact O-OG1 3.13Å
322	E	39.6	Very low	41.9	Very low	87 Å²	87	104.5 Å²	104.5	41%	0.407	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.2	-177.3	-78.7	178.8	159.5	0	0	114.3	V318 R324	V318-E322 HydrophobicContact CG1-CG 4.14Å; V318-E322 WeakPolarHBondContact O-CG 3.32Å; V318-E322 PolarHBondContact O-N 3.48Å; E322-R324 VanDerWaalsContact C-N 3.3Å; E322-R324 PolarHBondContact O-N 3.34Å
323	R	41	Very low	42.6	Very low	206 Å²	206	95.8 Å²	95.8	78%	0.777	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.3	178.8	-64.4	-176.1	-176.6	165.3	4	114.2	S321	S321-R323 PolarHBondContact O-N 2.84Å
324	R	36.6	Very low	43.4	Very low	240 Å²	240	93.3 Å²	93.3	91%	0.906	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.7	-18.9	-176.5	-89.9	-178.2	167.3	173.9	-4	116.6	S321 E322	S321-R324 PolarHBondContact O-N 2.79Å; E322-R324 VanDerWaalsContact C-N 3.3Å; E322-R324 PolarHBondContact O-N 3.34Å
325	T	38.2	Very low	44.5	Very low	55 Å²	55	86.3 Å²	86.3	34%	0.337	40%	0.401	S	S	.	.			trans	-112.2	78.7	-171.3	47.1	0	0	0	0	113.3	H209 S321	H209-T325 PolarHBondContact CD2-O 2.78Å; H209-T325 PolarHBondContact CD2-OG1 2.8Å; H209-T325 VanDerWaalsContact CD2-OG1 3.29Å; H209-T325 PolarHBondContact CE1-OG1 3.01Å; H209-T325 WeakPolarHBondContact NE2-CB 3.18Å; H209-T325 PolarHBondContact NE2-OG1 2.84Å; S321-T325 PolarHBondContact O-OG1 3.13Å
326	K	41.1	Very low	45.4	Very low	167 Å²	167	80.7 Å²	80.7	73%	0.726	37%	0.371	S	S	*	.			trans	-94	134.2	174.3	-65.8	-175.7	179	-177.2	0	111.4
327	R	42.3	Very low	47.1	Very low	159 Å²	159	72.7 Å²	72.7	60%	0.6	34%	0.335	S	S	*	.			trans	78.6	90.9	175.3	-49.4	164.3	-175.9	160.8	0.7	114.9	T57	T57-R327 HydrophobicContact CG2-CB 4.18Å; T57-R327 PolarHBondContact OG1-O 3.14Å
328	L	40.8	Very low	48.8	Very low	3 Å²	3	63.7 Å²	63.7	2%	0.016	30%	0.3	C	S	.	.	S	Bend	trans	-111	-10.2	175.7	-131.4	140.7	0	0	0	113.9	D59 F63 L208 H209 L210	D59-L328 HydrophobicContact CB-CD1 4.15Å; D59-L328 HydrophobicContact CB-CD2 3.52Å; D59-L328 HydrophobicContact CB-CG 3.56Å; D59-L328 VanDerWaalsContact CG-CG 3.5Å; F63-L328 HydrophobicContact CE2-CD2 4.23Å; L208-L328 WeakPolarHBondContact O-CB 3.3Å; L208-L328 PolarHBondContact O-N 3.09Å; L208-L328 VanDerWaalsContact O-N 3.15Å; H209-L328 WeakPolarHBondContact CD2-CD1 3.5Å; L210-L328 HydrophobicContact CB-CD1 3.83Å; L210-L328 HydrophobicContact CB-CD2 3.82Å; L210-L328 HydrophobicContact CB-CG 4.33Å; L210-L328 HydrophobicContact CD1-CD2 4.17Å; L210-L328 HydrophobicContact CD2-CD2 4.07Å; L210-L328 HydrophobicContact CG-CD2 4.25Å
329	F	42.6	Very low	50.8	Low	6 Å²	6	63.3 Å²	63.3	3%	0.026	30%	0.295	C	S	.	.			trans	-140.7	60.6	179	-54.8	-97.1	0	0	0	111.8	F63 L109 I112 F205 I206 L210 C213 V331	F63-F329 HydrophobicContact CE2-CD1 4.44Å; F63-F329 HydrophobicContact CE2-CE1 4.24Å; F63-F329 HydrophobicContact CZ-CD1 4.29Å; F63-F329 AromaticContact CZ-CE1 3.8Å; F63-F329 HydrophobicContact CZ-CE1 3.8Å; L109-F329 HydrophobicContact CD2-CE1 4.05Å; L109-F329 HydrophobicContact CD2-CZ 4.21Å; I112-F329 HydrophobicContact CD1-CD1 4.04Å; I112-F329 HydrophobicContact CD1-CE1 3.88Å; F205-F329 CarbonylContact C-O 3.59Å; F205-F329 HydrophobicContact CB-CB 3.77Å; F205-F329 HydrophobicContact CB-CG 4.33Å; F205-F329 HydrophobicContact CD1-CB 4.44Å; F205-F329 HydrophobicContact CD1-CD1 4.06Å; F205-F329 HydrophobicContact CD1-CE1 4.39Å; F205-F329 HydrophobicContact CD1-CG 4.12Å; F205-F329 WeakPolarHBondContact O-CB 3.32Å; I206-F329 CarbonylContact C-O 3.47Å; I206-F329 WeakPolarHBondContact CA-O 3.4Å; I206-F329 PolarHBondContact N-O 3.33Å; L210-F329 HydrophobicContact CD1-CE1 4.38Å; L210-F329 HydrophobicContact CD1-CE2 4.19Å; L210-F329 HydrophobicContact CD1-CZ 3.52Å; C213-F329 HydrophobicContact CB-CD2 4.21Å; C213-F329 HydrophobicContact CB-CE1 4.31Å; C213-F329 HydrophobicContact CB-CE2 3.4Å; C213-F329 VanDerWaalsContact CB-CE2 3.4Å; C213-F329 HydrophobicContact CB-CZ 3.44Å; C213-F329 VanDerWaalsContact CB-CZ 3.44Å; C213-F329 WeakPolarHBondContact SG-CD2 3.21Å; C213-F329 WeakPolarHBondContact SG-CE2 3.38Å; F329-V331 PolarHBondContact O-N 3.22Å
330	G	41.7	Very low	52.9	Low	21 Å²	21	64 Å²	64	22%	0.216	29%	0.292	C	S	.	.			trans	-61.3	17.1	-179.3	0	0	0	0	0	117.2	S54	S54-G330 PolarHBondContact OG-O 3.12Å
331	V	46.5	Very low	54.5	Low	15 Å²	15	58.6 Å²	58.6	9%	0.091	27%	0.271	C	S	.	.	S	Bend	trans	-89.4	140.4	165.6	-160.3	0	0	0	0	107.7	F51 H55 I206 F241 F329 A333	F51-V331 HydrophobicContact CD2-CG1 4.04Å; F51-V331 HydrophobicContact CD2-CG2 4.12Å; F51-V331 HydrophobicContact CE2-CB 4.27Å; F51-V331 HydrophobicContact CE2-CG1 3.76Å; F51-V331 HydrophobicContact CE2-CG2 3.44Å; F51-V331 VanDerWaalsContact CE2-CG2 3.44Å; F51-V331 HydrophobicContact CZ-CG2 4Å; H55-V331 WeakPolarHBondContact NE2-CG2 3.31Å; I206-V331 VanDerWaalsContact CG1-C 3.46Å; I206-V331 WeakPolarHBondContact CG1-O 3.28Å; I206-V331 PolarHBondContact N-O 3.08Å; F241-V331 HydrophobicContact CD1-CG1 3.63Å; F241-V331 HydrophobicContact CE1-CG1 4.27Å; F329-V331 PolarHBondContact O-N 3.22Å; V331-A333 HydrophobicContact CB-CB 4.27Å; V331-A333 HydrophobicContact CG1-CB 4.45Å; V331-A333 PolarHBondContact O-N 3.47Å
332	S	52.1	Low	55.6	Low	16 Å²	16	65.6 Å²	65.6	11%	0.112	30%	0.298	C	S	.	.			trans	-69.9	50.5	160.4	42.5	0	0	0	0	112	F241 E242 F334	F241-S332 WeakPolarHBondContact CA-O 3.38Å; E242-S332 VanDerWaalsContact CB-OG 3.24Å; E242-S332 WeakPolarHBondContact CB-OG 3.44Å; E242-S332 WeakPolarHBondContact CG-OG 3.4Å; E242-S332 PolarHBondContact N-O 2.82Å; E242-S332 VanDerWaalsContact N-O 3.14Å; E242-S332 WeakPolarHBondContact OE2-CB 3.48Å; E242-S332 PolarHBondContact OE2-OG 2.82Å; S332-F334 VanDerWaalsContact O-CD2 3.23Å; S332-F334 WeakPolarHBondContact O-CD2 3.5Å
333	A	55.1	Low	56.4	Low	3 Å²	3	64.6 Å²	64.6	3%	0.025	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.3	162.3	0	0	0	0	0	107.3	F205 L239 D240 F241 V331	F205-A333 HydrophobicContact CB-CB 4.03Å; F205-A333 VanDerWaalsContact CB-O 3.32Å; F205-A333 WeakPolarHBondContact CB-O 3.33Å; F205-A333 WeakPolarHBondContact CD2-O 2.79Å; F205-A333 HydrophobicContact CG-CB 4.19Å; F205-A333 PolarHBondContact N-O 3.49Å; L239-A333 HydrophobicContact CD2-CB 4.5Å; D240-A333 CarbonylContact O-C 3.56Å; D240-A333 WeakPolarHBondContact O-CA 3.25Å; F241-A333 HydrophobicContact CD1-CB 3.57Å; F241-A333 HydrophobicContact CE1-CB 3.55Å; V331-A333 HydrophobicContact CB-CB 4.27Å; V331-A333 HydrophobicContact CG1-CB 4.45Å; V331-A333 PolarHBondContact O-N 3.47Å
334	F	66.1	Low	57.2	Low	36 Å²	36	57.1 Å²	57.1	16%	0.158	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.7	170.7	-61	-101.5	0	0	0	109.1	K202 V203 N204 L239 D240 E242 S332 V336	K202-F334 HydrophobicContact CB-CB 4.32Å; K202-F334 HydrophobicContact CB-CD1 3.92Å; K202-F334 HydrophobicContact CB-CG 4.38Å; V203-F334 VanDerWaalsContact O-CA 3.22Å; V203-F334 WeakPolarHBondContact O-CA 3.34Å; N204-F334 VanDerWaalsContact CA-CD1 3.41Å; N204-F334 HydrophobicContact CB-CD1 3.63Å; N204-F334 HydrophobicContact CB-CE1 3.35Å; N204-F334 HydrophobicContact CB-CZ 4.17Å; L239-F334 CarbonylContact C-O 3.59Å; L239-F334 WeakPolarHBondContact CA-O 3.48Å; D240-F334 PolarHBondContact N-O 3.05Å; D240-F334 PolarHBondContact O-N 3.19Å; E242-F334 HydrophobicContact CG-CE2 3.91Å; E242-F334 WeakPolarHBondContact OE1-CE2 3.4Å; S332-F334 VanDerWaalsContact O-CD2 3.23Å; S332-F334 WeakPolarHBondContact O-CD2 3.5Å; F334-V336 HydrophobicContact CB-CG2 4.4Å; F334-V336 PolarHBondContact O-N 2.88Å
335	I	66.4	Low	58.3	Low	8 Å²	8	46.9 Å²	46.9	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	120.8	157.3	-78.7	171.2	0	0	0	107.1	K202 V203 F205 V216 L217 V220 A237 W238 L239	K202-I335 CarbonylContact C-O 3.37Å; K202-I335 WeakPolarHBondContact CA-O 3.33Å; V203-I335 HydrophobicContact CB-CB 4.44Å; V203-I335 PolarHBondContact N-O 3.12Å; V203-I335 PolarHBondContact O-N 3.08Å; F205-I335 HydrophobicContact CE2-CB 4.18Å; F205-I335 HydrophobicContact CE2-CD1 3.7Å; F205-I335 HydrophobicContact CE2-CG1 3.63Å; F205-I335 HydrophobicContact CZ-CD1 3.54Å; F205-I335 HydrophobicContact CZ-CG1 3.89Å; V216-I335 HydrophobicContact CG1-CD1 3.87Å; L217-I335 HydrophobicContact CD2-CD1 3.68Å; L217-I335 HydrophobicContact CG-CD1 4.11Å; V220-I335 HydrophobicContact CG2-CD1 4.25Å; V220-I335 HydrophobicContact CG2-CG2 3.9Å; A237-I335 HydrophobicContact CB-CG2 3.94Å; W238-I335 WeakPolarHBondContact O-CA 3.47Å; L239-I335 HydrophobicContact CD2-CD1 4.42Å; L239-I335 HydrophobicContact CD2-CG1 3.69Å; L239-I335 HydrophobicContact CG-CG1 4.24Å
336	V	63.7	Low	59.5	Low	5 Å²	5	46.5 Å²	46.5	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	97.9	175.1	-177.3	0	0	0	0	107.7	L200 K201 K202 A237 W238 D240 F334	L200-V336 HydrophobicContact CD1-CG1 3.57Å; L200-V336 HydrophobicContact CD2-CG1 3.82Å; L200-V336 HydrophobicContact CG-CG1 3.57Å; K201-V336 WeakPolarHBondContact O-CA 3.28Å; K202-V336 HydrophobicContact CG-CG2 4.44Å; A237-V336 WeakPolarHBondContact CA-O 3.29Å; A237-V336 WeakPolarHBondContact CB-O 3.49Å; W238-V336 HydrophobicContact CD2-CB 4.08Å; W238-V336 HydrophobicContact CD2-CG1 4.47Å; W238-V336 HydrophobicContact CH2-CB 4.42Å; W238-V336 HydrophobicContact CH2-CG1 3.79Å; W238-V336 HydrophobicContact CZ2-CB 3.87Å; W238-V336 HydrophobicContact CZ2-CG1 3.41Å; W238-V336 VanDerWaalsContact CZ2-CG1 3.41Å; W238-V336 HydrophobicContact CZ3-CG1 4.45Å; W238-V336 PolarHBondContact N-O 3.42Å; W238-V336 PolarHBondContact O-N 2.84Å; D240-V336 HydrophobicContact CB-CG2 3.94Å; F334-V336 HydrophobicContact CB-CG2 4.4Å; F334-V336 PolarHBondContact O-N 2.88Å
337	G	75.7	Confident	60.7	Low	4 Å²	4	38.9 Å²	38.9	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.5	177.1	0	0	0	0	0	112.1	L200 K201 F339	L200-G337 CarbonylContact C-O 3.57Å; L200-G337 WeakPolarHBondContact CA-O 3.46Å; K201-G337 PolarHBondContact N-O 2.85Å; K201-G337 PolarHBondContact O-N 2.82Å; G337-F339 WeakPolarHBondContact O-CD2 3.39Å; G337-F339 WeakPolarHBondContact O-CE2 3.46Å
338	L	78.9	Confident	61.9	Low	6 Å²	6	30.9 Å²	30.9	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.3	173.3	-69.2	177.4	0	0	0	111.6	Y175 V189 A199 L200 Y234 Y235 G236 W238	Y175-L338 HydrophobicContact CE1-CD1 3.56Å; Y175-L338 HydrophobicContact CE1-CD2 4.23Å; Y175-L338 HydrophobicContact CE2-CD1 4.43Å; Y175-L338 WeakPolarHBondContact OH-CD1 3.35Å; V189-L338 HydrophobicContact CG2-CD2 3.83Å; A199-L338 CarbonylContact O-C 3.59Å; A199-L338 WeakPolarHBondContact O-CA 3.48Å; L200-L338 HydrophobicContact CB-CD2 4.23Å; L200-L338 HydrophobicContact CD1-CD2 4.28Å; L200-L338 HydrophobicContact CG-CD2 4.33Å; Y234-L338 WeakPolarHBondContact CA-O 3.5Å; Y235-L338 PolarHBondContact N-O 2.73Å; G236-L338 PolarHBondContact O-N 3.37Å; W238-L338 HydrophobicContact CH2-CD1 3.8Å; W238-L338 HydrophobicContact CH2-CD2 4.23Å; W238-L338 HydrophobicContact CH2-CG 3.86Å; W238-L338 HydrophobicContact CZ3-CD1 3.63Å; W238-L338 HydrophobicContact CZ3-CG 3.79Å
339	F	82.9	Confident	63.4	Low	37 Å²	37	32.9 Å²	32.9	16%	0.162	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.1	-174.2	-61.4	-88.9	0	0	0	110.4	Y198 A199 K201 L223 V232 H233 Y234 G337	Y198-F339 CarbonylContact C-O 3.54Å; Y198-F339 WeakPolarHBondContact CA-O 3.14Å; A199-F339 HydrophobicContact CB-CB 4.12Å; A199-F339 PolarHBondContact N-O 3.41Å; A199-F339 PolarHBondContact O-N 2.92Å; K201-F339 HydrophobicContact CB-CD2 4.45Å; K201-F339 HydrophobicContact CB-CE2 3.89Å; L223-F339 HydrophobicContact CD1-CE1 4.27Å; L223-F339 HydrophobicContact CD1-CZ 4.28Å; V232-F339 HydrophobicContact CG1-CB 3.86Å; V232-F339 HydrophobicContact CG1-CD1 4.17Å; V232-F339 HydrophobicContact CG1-CG 4.48Å; H233-F339 CarbonylContact O-C 3.59Å; H233-F339 VanDerWaalsContact O-CA 3.3Å; H233-F339 WeakPolarHBondContact O-CA 3.34Å; Y234-F339 HydrophobicContact CD2-CD1 4.27Å; Y234-F339 AromaticContact CD2-CE1 3.72Å; Y234-F339 HydrophobicContact CD2-CE1 3.72Å; Y234-F339 HydrophobicContact CD2-CE2 4.49Å; Y234-F339 AromaticContact CD2-CZ 3.84Å; Y234-F339 HydrophobicContact CD2-CZ 3.84Å; Y234-F339 HydrophobicContact CE2-CZ 4.4Å; Y234-F339 HydrophobicContact CG-CE1 4.46Å; G337-F339 WeakPolarHBondContact O-CD2 3.39Å; G337-F339 WeakPolarHBondContact O-CE2 3.46Å
340	D	82.5	Confident	65	Low	62 Å²	62	35 Å²	35	33%	0.332	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	147.8	173.3	-156.6	-0.3	0	0	0	112.3	V232 H233 Y235 Q342	V232-D340 HydrophobicContact CG1-CB 4.39Å; H233-D340 HydrophobicContact CB-CB 4.32Å; H233-D340 PolarHBondContact O-N 2.69Å; Y235-D340 HydrophobicContact CE2-CB 4.03Å; D340-Q342 PolarHBondContact O-N 3.19Å
341	C	72	Confident	67	Low	43 Å²	43	36.2 Å²	36.2	29%	0.291	19%	0.187	S	C	.	.			trans	-94.7	86.6	173.9	-89	0	0	0	0	110	A199	A199-C341 PolarHBondContact N-SG 2.76Å
342	Q	61.7	Low	68.8	Low	199 Å²	199	38.1 Å²	38.1	93%	0.93	20%	0.196	S	C	*	.			trans	-72.7	0	165.5	-66.4	-171.8	-15.1	0	0	112	D340	D340-Q342 PolarHBondContact O-N 3.19Å

Retrieved 342 of 342 residues in 681 ms (Link to these results)

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