G4VRL6_SCHMA Loading...

THUMP domain-containing protein

AlphaFold DB , UniProt , Accession G4VRL6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 354 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	52.6	Low	59	Low	224 Å²	224	158.6 Å²	158.6	100%	1.103	73%	0.733	S	S	*	*				0	38.4	0	-92.6	-157.3	-96.1	0	0	110.5
2	D	55.7	Low	60.3	Low	129 Å²	129	150.4 Å²	150.4	69%	0.69	71%	0.713	S	S	*	*			trans	-106.3	1.1	-156.2	-64.4	-72.1	0	0	0	115.6
3	H	54.6	Low	61.4	Low	171 Å²	171	150.8 Å²	150.8	79%	0.792	71%	0.705	S	S	*	*	S	Bend	trans	-83.7	-7.8	-178.8	-81.1	0.2	0	0	0	115.5
4	Q	56	Low	62.3	Low	168 Å²	168	149.3 Å²	149.3	79%	0.785	69%	0.691	S	S	*	*	H	α-helix	trans	-84.8	-29.2	178.6	-89.3	178.3	-7.3	0	0	114.4	S6 K7	Q4-S6 VanDerWaalsContact C-N 3.32Å; Q4-S6 PolarHBondContact O-N 3.37Å; Q4-K7 PolarHBondContact O-N 3.42Å
5	K	51.8	Low	63.1	Low	171 Å²	171	149.3 Å²	149.3	74%	0.743	68%	0.683	S	S	*	*	H	α-helix	trans	-67.3	-30.1	-178.2	-77.7	-179.4	179.1	173.3	0	113
6	S	58.6	Low	63.6	Low	77 Å²	77	150.8 Å²	150.8	54%	0.538	69%	0.687	S	S	.	*	H	α-helix	trans	-64.1	-42.3	178.6	165	0	0	0	0	113.3	Q4 K8 R10	Q4-S6 VanDerWaalsContact C-N 3.32Å; Q4-S6 PolarHBondContact O-N 3.37Å; S6-K8 PolarHBondContact O-N 2.65Å; S6-R10 PolarHBondContact O-N 2.96Å
7	K	57.7	Low	63.9	Low	164 Å²	164	145.8 Å²	145.8	71%	0.713	67%	0.673	S	S	*	*	H	α-helix	trans	-68	-32.7	-177.9	-68.9	-174.7	179.7	179	0	112.8	Q4 R10 K11	Q4-K7 PolarHBondContact O-N 3.42Å; K7-R10 PolarHBondContact O-N 3.44Å; K7-K11 PolarHBondContact O-N 2.86Å
8	K	58.2	Low	63.9	Low	178 Å²	178	140 Å²	140	77%	0.774	66%	0.655	S	S	*	*	H	α-helix	trans	-68.2	-40.1	-179	-130.9	175.3	-175.8	178.6	0	112	S6 K11 A12	S6-K8 PolarHBondContact O-N 2.65Å; K8-K11 PolarHBondContact O-N 3.39Å; K8-A12 PolarHBondContact O-N 3.04Å
9	K	57.1	Low	63.6	Low	177 Å²	177	139.5 Å²	139.5	77%	0.77	65%	0.65	S	S	*	*	H	α-helix	trans	-63.1	-42.2	174.9	-81	-172.7	175.7	-178	0	112.3	K11 A12 Y13	K9-K11 PolarHBondContact O-N 3.13Å; K9-A12 PolarHBondContact O-N 3.37Å; K9-Y13 PolarHBondContact O-N 2.94Å; K9-Y13 VanDerWaalsContact O-N 3.12Å
10	R	69.8	Low	62.9	Low	154 Å²	154	135.9 Å²	135.9	58%	0.581	65%	0.653	S	S	*	*	H	α-helix	trans	-61.4	-43.1	176.9	-75	-179.3	76.3	179.2	1.8	112.1	S6 K7 A12 Y13 Y14	S6-R10 PolarHBondContact O-N 2.96Å; K7-R10 PolarHBondContact O-N 3.44Å; R10-A12 PolarHBondContact O-N 3.42Å; R10-Y13 PolarHBondContact O-N 3.14Å; R10-Y14 HydrophobicContact CB-CD2 4.41Å; R10-Y14 HydrophobicContact CB-CE2 4.16Å; R10-Y14 WeakPolarHBondContact O-CD2 3.29Å; R10-Y14 PolarHBondContact O-N 2.73Å
11	K	76.6	Confident	62.5	Low	132 Å²	132	133.8 Å²	133.8	57%	0.574	65%	0.652	S	S	*	*	H	α-helix	trans	-64.5	-39.1	-178.9	-162.2	172.7	-174.9	177	0	112.5	K7 K8 K9 R15	K7-K11 PolarHBondContact O-N 2.86Å; K8-K11 PolarHBondContact O-N 3.39Å; K9-K11 PolarHBondContact O-N 3.13Å; K11-R15 WeakPolarHBondContact O-CB 3.47Å; K11-R15 VanDerWaalsContact O-CG 3.28Å; K11-R15 WeakPolarHBondContact O-CG 3.42Å; K11-R15 PolarHBondContact O-N 3.4Å
12	A	75.4	Confident	62.4	Low	60 Å²	60	131.2 Å²	131.2	50%	0.496	64%	0.635	S	S	.	*	H	α-helix	trans	-66.8	-42.1	175.7	0	0	0	0	0	112.2	K8 K9 R10 R15 K16	K8-A12 PolarHBondContact O-N 3.04Å; K9-A12 PolarHBondContact O-N 3.37Å; R10-A12 PolarHBondContact O-N 3.42Å; A12-R15 PolarHBondContact O-N 3.22Å; A12-K16 PolarHBondContact O-N 3.37Å
13	Y	74.4	Confident	61.8	Low	156 Å²	156	131.2 Å²	131.2	61%	0.612	63%	0.629	S	S	*	*	H	α-helix	trans	-58.2	-52.3	175.6	178.2	-97.4	0	0	0	111.8	K9 R10 R15 K16 C17	K9-Y13 PolarHBondContact O-N 2.94Å; K9-Y13 VanDerWaalsContact O-N 3.12Å; R10-Y13 PolarHBondContact O-N 3.14Å; Y13-R15 VanDerWaalsContact C-N 3.32Å; Y13-R15 PolarHBondContact O-N 3.38Å; Y13-K16 PolarHBondContact O-N 3.14Å; Y13-C17 PolarHBondContact O-N 3.21Å; Y13-C17 PolarHBondContact O-SG 2.96Å; Y13-C17 VanDerWaalsContact O-SG 3.32Å
14	Y	74.4	Confident	61.1	Low	129 Å²	129	126.4 Å²	126.4	51%	0.506	61%	0.614	S	S	.	*	H	α-helix	trans	-64.8	-33.7	178.1	-68	-65.6	0	0	0	112.9	R10 A18	R10-Y14 HydrophobicContact CB-CD2 4.41Å; R10-Y14 HydrophobicContact CB-CE2 4.16Å; R10-Y14 WeakPolarHBondContact O-CD2 3.29Å; R10-Y14 PolarHBondContact O-N 2.73Å; Y14-A18 VanDerWaalsContact O-CB 3.22Å; Y14-A18 WeakPolarHBondContact O-CB 3.39Å; Y14-A18 PolarHBondContact O-N 3.06Å
15	R	73.6	Confident	60.3	Low	149 Å²	149	127 Å²	127	56%	0.562	61%	0.609	S	S	*	*	H	α-helix	trans	-63.7	-45.6	172.2	-77.9	178.6	-177.8	-154	-2.9	111.6	K11 A12 Y13 C17 A18 F19	K11-R15 WeakPolarHBondContact O-CB 3.47Å; K11-R15 VanDerWaalsContact O-CG 3.28Å; K11-R15 WeakPolarHBondContact O-CG 3.42Å; K11-R15 PolarHBondContact O-N 3.4Å; A12-R15 PolarHBondContact O-N 3.22Å; Y13-R15 VanDerWaalsContact C-N 3.32Å; Y13-R15 PolarHBondContact O-N 3.38Å; R15-C17 PolarHBondContact O-N 3.06Å; R15-A18 CarbonylContact O-C 3.59Å; R15-A18 PolarHBondContact O-N 2.8Å; R15-F19 WeakPolarHBondContact O-CB 3.15Å; R15-F19 VanDerWaalsContact O-CD2 3.3Å; R15-F19 WeakPolarHBondContact O-CD2 3.44Å; R15-F19 PolarHBondContact O-N 3.49Å
16	K	71	Confident	59.9	Low	174 Å²	174	124 Å²	124	76%	0.757	61%	0.608	S	S	*	*	H	α-helix	trans	-62.6	-42.9	179.1	-161.6	174.2	-176.9	-178.6	0	111.3	A12 Y13 F19 G20	A12-K16 PolarHBondContact O-N 3.37Å; Y13-K16 PolarHBondContact O-N 3.14Å; K16-F19 PolarHBondContact O-N 3.04Å; K16-G20 PolarHBondContact O-N 2.78Å
17	C	68.4	Low	59	Low	65 Å²	65	127.9 Å²	127.9	44%	0.439	62%	0.622	S	S	.	*	H	α-helix	trans	-64	-38.3	173.4	-62.6	0	0	0	0	112.8	Y13 R15 S21	Y13-C17 PolarHBondContact O-N 3.21Å; Y13-C17 PolarHBondContact O-SG 2.96Å; Y13-C17 VanDerWaalsContact O-SG 3.32Å; R15-C17 PolarHBondContact O-N 3.06Å; C17-S21 PolarHBondContact O-N 2.73Å; C17-S21 PolarHBondContact O-OG 2.72Å
18	A	64.6	Low	58.4	Low	42 Å²	42	124.5 Å²	124.5	35%	0.347	61%	0.612	S	S	.	*	H	α-helix	trans	-73.6	-30.5	176.9	0	0	0	0	0	113.3	Y14 R15 S21 K22	Y14-A18 VanDerWaalsContact O-CB 3.22Å; Y14-A18 WeakPolarHBondContact O-CB 3.39Å; Y14-A18 PolarHBondContact O-N 3.06Å; R15-A18 CarbonylContact O-C 3.59Å; R15-A18 PolarHBondContact O-N 2.8Å; A18-S21 WeakPolarHBondContact CA-OG 3.28Å; A18-S21 PolarHBondContact O-OG 3.1Å; A18-K22 VanDerWaalsContact O-CB 3.26Å; A18-K22 WeakPolarHBondContact O-CB 3.13Å; A18-K22 WeakPolarHBondContact O-CG 3.38Å; A18-K22 PolarHBondContact O-N 3.07Å
19	F	57	Low	57.9	Low	130 Å²	130	121.9 Å²	121.9	57%	0.57	61%	0.613	S	S	*	*	H	α-helix	trans	-72.3	-40.2	173.9	-94.5	-78.5	0	0	0	111.6	R15 K16 S21 K22	R15-F19 WeakPolarHBondContact O-CB 3.15Å; R15-F19 VanDerWaalsContact O-CD2 3.3Å; R15-F19 WeakPolarHBondContact O-CD2 3.44Å; R15-F19 PolarHBondContact O-N 3.49Å; K16-F19 PolarHBondContact O-N 3.04Å; F19-S21 PolarHBondContact O-N 2.89Å; F19-K22 PolarHBondContact O-N 2.78Å; F19-K22 VanDerWaalsContact O-N 3.14Å
20	G	50.6	Low	57.3	Low	68 Å²	68	120.5 Å²	120.5	70%	0.701	61%	0.614	S	S	*	*	H	α-helix	trans	-61.9	-25	174.4	0	0	0	0	0	113.6	K16	K16-G20 PolarHBondContact O-N 2.78Å
21	S	53.8	Low	56.1	Low	92 Å²	92	116.4 Å²	116.4	64%	0.643	60%	0.604	S	S	*	*	H	α-helix	trans	-92.6	-13.5	175.3	55.3	0	0	0	0	114.8	C17 A18 F19	C17-S21 PolarHBondContact O-N 2.73Å; C17-S21 PolarHBondContact O-OG 2.72Å; A18-S21 WeakPolarHBondContact CA-OG 3.28Å; A18-S21 PolarHBondContact O-OG 3.1Å; F19-S21 PolarHBondContact O-N 2.89Å
22	K	50.1	Low	54.7	Low	170 Å²	170	113.2 Å²	113.2	74%	0.739	60%	0.598	S	S	*	*	H	α-helix	trans	-109.8	0.4	-169.4	-80.5	-169.8	173.6	-171.5	0	117.8	A18 F19	A18-K22 VanDerWaalsContact O-CB 3.26Å; A18-K22 WeakPolarHBondContact O-CB 3.13Å; A18-K22 WeakPolarHBondContact O-CG 3.38Å; A18-K22 PolarHBondContact O-N 3.07Å; F19-K22 PolarHBondContact O-N 2.78Å; F19-K22 VanDerWaalsContact O-N 3.14Å
23	K	43.3	Very low	53.5	Low	128 Å²	128	114.5 Å²	114.5	56%	0.557	60%	0.595	S	S	*	*			trans	-141.9	96.5	176.3	-78.3	-176.8	175.1	173.7	0	113
24	S	40.7	Very low	52.4	Low	70 Å²	70	111.6 Å²	111.6	49%	0.49	60%	0.597	S	S	.	*				-89.6	112.1	125.3	39.1	0	0	0	0	104.9	P26	S24-P26 WeakPolarHBondContact O-CD 3.21Å
25	R	38.9	Very low	51.8	Low	181 Å²	181	109.1 Å²	109.1	68%	0.683	60%	0.598	S	S	*	*			trans	-63.2	121.8	164.9	-76.1	176.6	169.2	160.6	-5.1	105.1	N27	R25-N27 PolarHBondContact O-N 3.29Å
26	P	43.3	Very low	51.6	Low	109 Å²	109	103.1 Å²	103.1	71%	0.708	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	130.3	165	28.2	-27.8	0	0	0	105.4	S24	S24-P26 WeakPolarHBondContact O-CD 3.21Å
27	N	40.1	Very low	52.1	Low	157 Å²	157	96.4 Å²	96.4	84%	0.84	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.7	33.8	175.2	-44.1	-25.7	0	0	0	118.4	R25 P29	R25-N27 PolarHBondContact O-N 3.29Å; N27-P29 VanDerWaalsContact O-CD 3.32Å; N27-P29 WeakPolarHBondContact O-CD 3.39Å
28	D	45.8	Very low	53	Low	94 Å²	94	99.5 Å²	99.5	50%	0.503	56%	0.557	S	S	.	*			trans	-91.8	104.9	154.9	-153.3	-27.4	0	0	0	108.7	N30 D31	D28-N30 PolarHBondContact O-N 3Å; D28-D31 HydrophobicContact CB-CB 4.17Å; D28-D31 PolarHBondContact O-N 3.06Å
29	P	47.3	Very low	54.3	Low	123 Å²	123	100.7 Å²	100.7	80%	0.799	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-7.8	-173.9	24.3	-31.8	0	0	0	113.9	N27	N27-P29 VanDerWaalsContact O-CD 3.32Å; N27-P29 WeakPolarHBondContact O-CD 3.39Å
30	N	43.9	Very low	56	Low	148 Å²	148	95.4 Å²	95.4	79%	0.791	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	0.6	174.6	-76.3	-32.4	0	0	0	114.2	D28 S32	D28-N30 PolarHBondContact O-N 3Å; N30-S32 VanDerWaalsContact C-N 3.33Å; N30-S32 PolarHBondContact O-N 3.06Å; N30-S32 VanDerWaalsContact O-N 3.07Å
31	D	45.7	Very low	58.1	Low	68 Å²	68	97.1 Å²	97.1	36%	0.364	53%	0.525	S	S	.	.			trans	-87.1	74.9	178.7	-157.8	16.8	0	0	0	110.3	D28 M33 S34	D28-D31 HydrophobicContact CB-CB 4.17Å; D28-D31 PolarHBondContact O-N 3.06Å; D31-M33 PolarHBondContact O-N 3.02Å; D31-M33 WeakPolarHBondContact OD1-CB 3.2Å; D31-S34 VanDerWaalsContact O-CB 3.28Å; D31-S34 WeakPolarHBondContact O-CB 3.42Å; D31-S34 PolarHBondContact O-N 3.17Å; D31-S34 PolarHBondContact O-OG 3.26Å; D31-S34 VanDerWaalsContact O-OG 3.11Å
32	S	46.4	Very low	60.1	Low	65 Å²	65	95.9 Å²	95.9	46%	0.455	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-59.6	-12.6	174.7	63.5	0	0	0	0	113	N30 S34	N30-S32 VanDerWaalsContact C-N 3.33Å; N30-S32 PolarHBondContact O-N 3.06Å; N30-S32 VanDerWaalsContact O-N 3.07Å; S32-S34 VanDerWaalsContact C-N 3.29Å
33	M	49.9	Very low	62.3	Low	87 Å²	87	90.4 Å²	90.4	43%	0.429	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-74.4	-14.8	171.4	-87.2	-94.3	141.4	0	0	113.6	D31 C35 I36 F135	D31-M33 PolarHBondContact O-N 3.02Å; D31-M33 WeakPolarHBondContact OD1-CB 3.2Å; M33-C35 PolarHBondContact O-N 3.46Å; M33-I36 HydrophobicContact CE-CD1 3.6Å; M33-I36 PolarHBondContact O-N 2.83Å; M33-I36 VanDerWaalsContact O-N 3.13Å; M33-I36 HydrophobicContact SD-CD1 4.15Å; M33-F135 HydrophobicContact CE-CD1 3.61Å; M33-F135 HydrophobicContact CE-CE1 3.08Å; M33-F135 HydrophobicContact CE-CZ 3.71Å; M33-F135 HydrophobicContact CG-CZ 4.41Å
34	S	50.7	Low	64.7	Low	95 Å²	95	85 Å²	85	66%	0.664	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-65.4	-21.3	-176.8	76.1	0	0	0	0	113.5	D31 S32	D31-S34 VanDerWaalsContact O-CB 3.28Å; D31-S34 WeakPolarHBondContact O-CB 3.42Å; D31-S34 PolarHBondContact O-N 3.17Å; D31-S34 PolarHBondContact O-OG 3.26Å; D31-S34 VanDerWaalsContact O-OG 3.11Å; S32-S34 VanDerWaalsContact C-N 3.29Å
35	C	62.3	Low	67.4	Low	76 Å²	76	83 Å²	83	51%	0.514	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-80.8	-15.7	177.5	-166.3	0	0	0	0	113.6	M33	M33-C35 PolarHBondContact O-N 3.46Å
36	I	70.7	Confident	70.1	Confident	24 Å²	24	74.4 Å²	74.4	12%	0.123	44%	0.436	C	S	.	.	S	Bend	trans	-89.9	121.4	-176.3	-62.4	158.7	0	0	0	109.7	M33 K38 F135 C138	M33-I36 HydrophobicContact CE-CD1 3.6Å; M33-I36 PolarHBondContact O-N 2.83Å; M33-I36 VanDerWaalsContact O-N 3.13Å; M33-I36 HydrophobicContact SD-CD1 4.15Å; I36-K38 PolarHBondContact O-N 2.91Å; I36-F135 HydrophobicContact CD1-CB 4.15Å; I36-F135 HydrophobicContact CD1-CD1 3.95Å; I36-F135 HydrophobicContact CD1-CD2 3.83Å; I36-F135 HydrophobicContact CD1-CE1 4.31Å; I36-F135 HydrophobicContact CD1-CE2 4.24Å; I36-F135 HydrophobicContact CD1-CG 3.73Å; I36-C138 VanDerWaalsContact CD1-SG 3.52Å; I36-C138 HydrophobicContact CG2-CB 3.84Å
37	P	81.5	Confident	72.8	Confident	33 Å²	33	69.2 Å²	69.2	21%	0.214	40%	0.402	C	S	.	.			trans	-67.4	127.4	-179.2	27.1	-34.2	0	0	0	111.1	N39 M44 L151	P37-N39 VanDerWaalsContact C-N 3.34Å; P37-N39 PolarHBondContact O-N 3.07Å; P37-M44 HydrophobicContact CB-CE 3.35Å; P37-M44 HydrophobicContact CG-CE 3.14Å; P37-M44 HydrophobicContact CG-SD 4.36Å; P37-L151 HydrophobicContact CG-CD2 4.19Å
38	K	85.5	Confident	75.5	Confident	130 Å²	130	62 Å²	62	57%	0.565	36%	0.364	S	S	*	.	S	Bend	trans	-70.4	-27.5	-177.8	-67.5	179.3	178.9	172.8	0	113.8	I36 K141	I36-K38 PolarHBondContact O-N 2.91Å; K38-K141 WeakPolarHBondContact O-CB 3.18Å; K38-K141 PolarHBondContact O-N 3.4Å; K38-K141 VanDerWaalsContact O-N 3.11Å
39	N	92.1	Very high	77.9	Confident	67 Å²	67	57.5 Å²	57.5	36%	0.358	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-126.4	153.7	-176	-59.7	-75.5	0	0	0	110	P37 Q41 M44 V140 K141 H143	P37-N39 VanDerWaalsContact C-N 3.34Å; P37-N39 PolarHBondContact O-N 3.07Å; N39-Q41 PolarHBondContact O-N 3.45Å; N39-M44 WeakPolarHBondContact O-CE 3.38Å; N39-V140 WeakPolarHBondContact O-CG1 3.26Å; N39-K141 WeakPolarHBondContact CA-O 3.32Å; N39-H143 PolarHBondContact OD1-NE2 3.32Å
40	L	94.3	Very high	80.2	Confident	18 Å²	18	52.5 Å²	52.5	9%	0.094	31%	0.307	C	S	.	.			trans	-63.8	130.4	176.5	-176.6	65.4	0	0	0	109.1	M44 V140 K141 T142 F149 T190 L312 V315	L40-M44 HydrophobicContact CD1-SD 3.82Å; L40-V140 HydrophobicContact CB-CG1 4.29Å; L40-K141 PolarHBondContact N-O 3.43Å; L40-T142 HydrophobicContact CD2-CG2 4.45Å; L40-F149 HydrophobicContact CD1-CB 4.23Å; L40-F149 HydrophobicContact CD1-CD1 3.76Å; L40-F149 HydrophobicContact CD1-CD2 3.83Å; L40-F149 HydrophobicContact CD1-CE1 3.98Å; L40-F149 HydrophobicContact CD1-CE2 4.05Å; L40-F149 HydrophobicContact CD1-CG 3.67Å; L40-F149 HydrophobicContact CD1-CZ 4.12Å; L40-T190 HydrophobicContact CD1-CG2 4.32Å; L40-L312 HydrophobicContact CD2-CB 4.05Å; L40-L312 HydrophobicContact CD2-CD1 3.85Å; L40-V315 HydrophobicContact CD2-CB 3.92Å; L40-V315 HydrophobicContact CD2-CG1 4Å; L40-V315 HydrophobicContact CG-CB 4Å; L40-V315 HydrophobicContact CG-CG1 3.87Å; L40-V315 HydrophobicContact CG-CG2 4.21Å; L40-V315 WeakPolarHBondContact O-CG2 3.44Å
41	Q	94.3	Very high	82.6	Confident	104 Å²	104	45.7 Å²	45.7	49%	0.486	27%	0.27	S	S	.	.			trans	-137.1	160.1	-177.8	-64.6	172.5	-30.2	0	0	109.8	N39 M44 T190	N39-Q41 PolarHBondContact O-N 3.45Å; Q41-M44 HydrophobicContact CB-CE 3.77Å; Q41-M44 HydrophobicContact CG-CE 4.17Å; Q41-M44 WeakPolarHBondContact O-CG 3.3Å; Q41-T190 PolarHBondContact O-OG1 3.33Å
42	P	95.7	Very high	84.8	Confident	67 Å²	67	47.2 Å²	47.2	44%	0.435	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	147.6	169.3	-26.4	36.7	0	0	0	113	T190 R192	P42-T190 CarbonylContact C-O 3.55Å; P42-T190 WeakPolarHBondContact CA-O 3.45Å; P42-R192 HydrophobicContact CG-CG 3.62Å
43	G	95	Very high	86.8	Confident	55 Å²	55	52.8 Å²	52.8	57%	0.567	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	2.8	176.4	0	0	0	0	0	115.3	T190	G43-T190 PolarHBondContact N-O 2.89Å; G43-T190 PolarHBondContact N-OG1 3.08Å; G43-T190 VanDerWaalsContact N-OG1 3.15Å
44	M	95.4	Very high	88.7	Confident	13 Å²	13	53.2 Å²	53.2	6%	0.064	30%	0.298	C	S	.	.			trans	-82.9	141.7	173.3	-62	-175.9	180	0	0	112.3	P37 N39 L40 Q41 V140 F149 L151 D189 T190	P37-M44 HydrophobicContact CB-CE 3.35Å; P37-M44 HydrophobicContact CG-CE 3.14Å; P37-M44 HydrophobicContact CG-SD 4.36Å; N39-M44 WeakPolarHBondContact O-CE 3.38Å; L40-M44 HydrophobicContact CD1-SD 3.82Å; Q41-M44 HydrophobicContact CB-CE 3.77Å; Q41-M44 HydrophobicContact CG-CE 4.17Å; Q41-M44 WeakPolarHBondContact O-CG 3.3Å; M44-V140 HydrophobicContact CE-CG1 4.35Å; M44-V140 HydrophobicContact SD-CG1 4.36Å; M44-F149 HydrophobicContact CB-CE1 4.12Å; M44-F149 HydrophobicContact CB-CZ 4.1Å; M44-F149 HydrophobicContact SD-CE1 4.31Å; M44-L151 HydrophobicContact CB-CD1 3.86Å; M44-L151 HydrophobicContact CG-CD1 3.94Å; M44-L151 HydrophobicContact SD-CD1 4.15Å; M44-D189 CarbonylContact O-C 3.55Å; M44-T190 WeakPolarHBondContact CA-OG1 3.25Å; M44-T190 HydrophobicContact CB-CG2 4.4Å; M44-T190 WeakPolarHBondContact CB-OG1 3.37Å; M44-T190 PolarHBondContact N-OG1 3.15Å; M44-T190 WeakPolarHBondContact O-CG2 3.36Å; M44-T190 PolarHBondContact O-N 3.25Å; M44-T190 PolarHBondContact O-OG1 2.88Å
45	T	96.1	Very high	90.6	Very high	30 Å²	30	53 Å²	53	18%	0.184	29%	0.286	C	S	.	.			trans	-113.7	143.8	168.5	-58.1	0	0	0	0	108.4	H152 A159 V187 V188 V248	T45-H152 PolarHBondContact O-N 3.25Å; T45-A159 HydrophobicContact CG2-CB 3.79Å; T45-V187 VanDerWaalsContact CG2-O 3.25Å; T45-V187 WeakPolarHBondContact CG2-O 3.48Å; T45-V188 PolarHBondContact OG1-O 2.87Å; T45-V248 HydrophobicContact CG2-CG1 4.06Å
46	G	97	Very high	91.9	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	-145	-173.2	0	0	0	0	0	114.3	I150 P186 V187	G46-I150 CarbonylContact C-O 3.57Å; G46-I150 WeakPolarHBondContact CA-O 3.3Å; G46-P186 CarbonylContact O-C 3.53Å; G46-V187 PolarHBondContact N-O 3.42Å; G46-V187 PolarHBondContact O-N 2.95Å
47	Y	98.2	Very high	92.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.2	-176.6	-53.4	-85.4	0	0	0	110.8	L66 F137 F149 I150 H152 A159 L162 C163 L184 M185 P186	Y47-L66 HydrophobicContact CD1-CD2 4.41Å; Y47-L66 HydrophobicContact CD2-CD1 3.82Å; Y47-L66 HydrophobicContact CD2-CD2 4.46Å; Y47-L66 HydrophobicContact CE1-CD2 3.89Å; Y47-L66 HydrophobicContact CE2-CD1 3.79Å; Y47-L66 HydrophobicContact CE2-CD2 3.96Å; Y47-L66 HydrophobicContact CG-CD1 4.43Å; Y47-F137 HydrophobicContact CE2-CD1 4.09Å; Y47-F137 AromaticContact CE2-CE1 3.97Å; Y47-F137 HydrophobicContact CE2-CE1 3.97Å; Y47-F149 CarbonylContact O-C 3.54Å; Y47-F149 VanDerWaalsContact O-CA 3.27Å; Y47-F149 WeakPolarHBondContact O-CA 3.08Å; Y47-I150 HydrophobicContact CD2-CB 4.3Å; Y47-I150 HydrophobicContact CD2-CG2 4.43Å; Y47-I150 PolarHBondContact N-O 3.3Å; Y47-I150 PolarHBondContact O-N 3.5Å; Y47-H152 HydrophobicContact CE2-CB 3.97Å; Y47-H152 AromaticContact CE2-ND1 3.67Å; Y47-H152 AromaticContact CZ-ND1 3.73Å; Y47-H152 PolarHBondContact OH-ND1 3.47Å; Y47-A159 HydrophobicContact CE1-CB 4.21Å; Y47-A159 WeakPolarHBondContact CE1-O 3.37Å; Y47-A159 HydrophobicContact CE2-CB 4.43Å; Y47-A159 WeakPolarHBondContact OH-CA 3.5Å; Y47-A159 PolarHBondContact OH-O 3.18Å; Y47-A159 VanDerWaalsContact OH-O 3.08Å; Y47-L162 WeakPolarHBondContact OH-CB 3.28Å; Y47-L162 WeakPolarHBondContact OH-CD2 3.41Å; Y47-C163 HydrophobicContact CD1-CB 4.49Å; Y47-C163 HydrophobicContact CE1-CB 3.95Å; Y47-L184 HydrophobicContact CD1-CD1 4.2Å; Y47-L184 HydrophobicContact CG-CD1 4.21Å; Y47-M185 CarbonylContact C-O 3.55Å; Y47-M185 VanDerWaalsContact CA-O 3.31Å; Y47-M185 WeakPolarHBondContact CA-O 3.28Å; Y47-P186 HydrophobicContact CD1-CB 4.49Å; Y47-P186 HydrophobicContact CE1-CB 4.49Å
48	I	97.6	Very high	93.5	Very high	5 Å²	5	52 Å²	52	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.7	160.8	-75.3	166.7	0	0	0	107.7	T50 F149 M185 V187 T310 L312 C317	I48-T50 HydrophobicContact CG2-CG2 4.4Å; I48-F149 HydrophobicContact CG1-CD2 4.18Å; I48-M185 PolarHBondContact N-O 3.11Å; I48-M185 PolarHBondContact O-N 3.44Å; I48-V187 HydrophobicContact CB-CG2 4.32Å; I48-V187 HydrophobicContact CD1-CG2 3.66Å; I48-V187 HydrophobicContact CG1-CG2 3.66Å; I48-T310 HydrophobicContact CD1-CG2 3.99Å; I48-L312 HydrophobicContact CD1-CD1 4.38Å; I48-L312 HydrophobicContact CG1-CD1 4.39Å; I48-C317 HydrophobicContact CD1-CB 3.55Å
49	L	96	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.3	167.6	88	124.6	0	0	0	111.1	Y51 A58 C147 S148 I150 R183 L184	L49-Y51 HydrophobicContact CD1-CD1 3.2Å; L49-Y51 HydrophobicContact CD1-CE1 3.71Å; L49-Y51 HydrophobicContact CD1-CG 4.06Å; L49-Y51 HydrophobicContact CG-CD1 3.72Å; L49-Y51 HydrophobicContact CG-CE1 3.87Å; L49-A58 HydrophobicContact CD1-CB 3.75Å; L49-C147 WeakPolarHBondContact O-CA 3.27Å; L49-S148 PolarHBondContact N-O 2.94Å; L49-S148 PolarHBondContact O-N 3.02Å; L49-I150 HydrophobicContact CD2-CD1 3.91Å; L49-I150 HydrophobicContact CD2-CG1 3.66Å; L49-R183 CarbonylContact C-O 3.6Å; L49-R183 VanDerWaalsContact CA-O 3.24Å; L49-R183 WeakPolarHBondContact CA-O 3.13Å; L49-L184 HydrophobicContact CB-CD1 4.37Å
50	T	96.2	Very high	93.7	Very high	18 Å²	18	44.2 Å²	44.2	11%	0.11	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.9	168.9	64.9	0	0	0	0	109.5	I48 N146 L182 R183	I48-T50 HydrophobicContact CG2-CG2 4.4Å; T50-N146 WeakPolarHBondContact CA-O 3.48Å; T50-L182 WeakPolarHBondContact O-CA 3.38Å; T50-L182 WeakPolarHBondContact O-CB 3.28Å; T50-L182 PolarHBondContact O-N 3.03Å; T50-R183 PolarHBondContact N-O 2.9Å; T50-R183 PolarHBondContact O-N 3.35Å; T50-R183 WeakPolarHBondContact OG1-CB 3.32Å; T50-R183 PolarHBondContact OG1-N 3.35Å
51	Y	95	Very high	93.6	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	166.2	-170.7	49.1	-82.3	0	0	0	108.6	L49 Q55 A58 N146 S148 Y180	L49-Y51 HydrophobicContact CD1-CD1 3.2Å; L49-Y51 HydrophobicContact CD1-CE1 3.71Å; L49-Y51 HydrophobicContact CD1-CG 4.06Å; L49-Y51 HydrophobicContact CG-CD1 3.72Å; L49-Y51 HydrophobicContact CG-CE1 3.87Å; Y51-Q55 VanDerWaalsContact CD2-CA 3.47Å; Y51-Q55 HydrophobicContact CD2-CB 4.12Å; Y51-Q55 HydrophobicContact CE2-CB 3.37Å; Y51-Q55 HydrophobicContact CE2-CG 3.7Å; Y51-Q55 WeakPolarHBondContact OH-CG 3.28Å; Y51-Q55 PolarHBondContact OH-OE1 2.81Å; Y51-A58 VanDerWaalsContact CB-CB 3.43Å; Y51-A58 HydrophobicContact CD1-CB 4.11Å; Y51-A58 HydrophobicContact CD2-CB 4.1Å; Y51-A58 HydrophobicContact CG-CB 3.61Å; Y51-N146 PolarHBondContact N-O 3.4Å; Y51-N146 VanDerWaalsContact O-CB 3.28Å; Y51-N146 WeakPolarHBondContact O-CB 3.42Å; Y51-S148 PolarHBondContact OH-OG 3.25Å; Y51-Y180 WeakPolarHBondContact CA-O 3.37Å; Y51-Y180 WeakPolarHBondContact CB-O 3.27Å
52	N	90.2	Very high	93.6	Very high	101 Å²	101	39.6 Å²	39.6	54%	0.54	21%	0.212	S	C	.	.	S	Bend	trans	-78.5	-160.8	172	-72.4	-31.5	0	0	0	110.5	Q54 N146 L182	N52-Q54 PolarHBondContact O-N 2.94Å; N52-N146 PolarHBondContact O-OD1 2.78Å; N52-L182 WeakPolarHBondContact OD1-CD1 3.42Å
53	Q	88.3	Confident	93.4	Very high	182 Å²	182	36.6 Å²	36.6	85%	0.85	19%	0.192	S	C	*	.	S	Bend	trans	-68.1	12.6	-174.2	-63.4	174.3	-8.2	0	0	115.1
54	Q	90.8	Very high	93.3	Very high	96 Å²	96	42.2 Å²	42.2	45%	0.449	20%	0.196	S	C	.	.			trans	-109.3	59.1	-175	-71.7	169.7	-33.7	0	0	111.8	N52 R56 L57 A58 Y180	N52-Q54 PolarHBondContact O-N 2.94Å; Q54-R56 PolarHBondContact O-N 3.01Å; Q54-L57 HydrophobicContact CB-CB 4.48Å; Q54-L57 HydrophobicContact CB-CD1 4.3Å; Q54-L57 HydrophobicContact CG-CD1 4.42Å; Q54-L57 PolarHBondContact O-N 3.3Å; Q54-A58 PolarHBondContact O-N 3.22Å; Q54-Y180 HydrophobicContact CB-CD1 4.14Å
55	Q	90.8	Very high	93.2	Very high	90 Å²	90	41.6 Å²	41.6	42%	0.421	19%	0.193	S	C	.	.	H	α-helix	trans	-51.8	-49.9	-176.9	-178	166.5	-10.7	0	0	114	Y51 L57 A58 H59 S148	Y51-Q55 VanDerWaalsContact CD2-CA 3.47Å; Y51-Q55 HydrophobicContact CD2-CB 4.12Å; Y51-Q55 HydrophobicContact CE2-CB 3.37Å; Y51-Q55 HydrophobicContact CE2-CG 3.7Å; Y51-Q55 WeakPolarHBondContact OH-CG 3.28Å; Y51-Q55 PolarHBondContact OH-OE1 2.81Å; Q55-L57 VanDerWaalsContact C-N 3.34Å; Q55-L57 PolarHBondContact O-N 3.39Å; Q55-A58 PolarHBondContact O-N 3.29Å; Q55-H59 PolarHBondContact NE2-CE1 2.95Å; Q55-H59 VanDerWaalsContact NE2-CE1 3.3Å; Q55-H59 PolarHBondContact NE2-NE2 2.83Å; Q55-H59 PolarHBondContact O-CD2 3.14Å; Q55-H59 PolarHBondContact O-N 3.07Å; Q55-S148 PolarHBondContact NE2-OG 2.8Å
56	R	89.8	Confident	93	Very high	56 Å²	56	40.2 Å²	40.2	21%	0.211	19%	0.185	C	C	.	.	H	α-helix	trans	-56.5	-49.3	-176.9	-174.8	-157.1	-161	99.9	48.2	111.2	Q54 H59 I60 T112 D113 Y116	Q54-R56 PolarHBondContact O-N 3.01Å; R56-H59 WeakPolarHBondContact O-CB 3.32Å; R56-H59 PolarHBondContact O-N 2.91Å; R56-I60 HydrophobicContact CG-CD1 4.28Å; R56-I60 VanDerWaalsContact O-CG1 3.26Å; R56-I60 WeakPolarHBondContact O-CG1 3.08Å; R56-I60 PolarHBondContact O-N 2.8Å; R56-I60 VanDerWaalsContact O-N 3.08Å; R56-T112 PolarHBondContact NE-O 2.86Å; R56-T112 PolarHBondContact NH1-O 3.07Å; R56-T112 PolarHBondContact NH1-OG1 3.13Å; R56-T112 VanDerWaalsContact NH2-C 3.27Å; R56-T112 PolarHBondContact NH2-O 3.47Å; R56-D113 IonicContact CZ-OD1 3.9Å; R56-D113 VanDerWaalsContact CZ-OD1 3.32Å; R56-D113 IonicContact NH1-OD1 3.76Å; R56-D113 PolarHBondContact NH1-OD1 3.46Å; R56-D113 IonicContact NH2-OD1 3.25Å; R56-D113 PolarHBondContact NH2-OD1 3.35Å; R56-Y116 HydrophobicContact CB-CD2 4.44Å; R56-Y116 HydrophobicContact CG-CD2 3.46Å; R56-Y116 VanDerWaalsContact CG-CD2 3.46Å; R56-Y116 HydrophobicContact CG-CE2 4.08Å; R56-Y116 HydrophobicContact CG-CG 3.73Å
57	L	91.8	Very high	92.8	Very high	57 Å²	57	41.8 Å²	41.8	30%	0.298	19%	0.193	S	C	.	.	H	α-helix	trans	-69	-39.1	-177.7	-58.4	174.7	0	0	0	111.2	Q54 Q55 H59 I60 E61 Y180	Q54-L57 HydrophobicContact CB-CB 4.48Å; Q54-L57 HydrophobicContact CB-CD1 4.3Å; Q54-L57 HydrophobicContact CG-CD1 4.42Å; Q54-L57 PolarHBondContact O-N 3.3Å; Q55-L57 VanDerWaalsContact C-N 3.34Å; Q55-L57 PolarHBondContact O-N 3.39Å; L57-H59 VanDerWaalsContact C-N 3.33Å; L57-H59 PolarHBondContact O-N 3.11Å; L57-I60 PolarHBondContact O-N 2.98Å; L57-E61 PolarHBondContact O-N 2.92Å; L57-Y180 HydrophobicContact CB-CD1 4.32Å; L57-Y180 HydrophobicContact CB-CD2 3.34Å; L57-Y180 HydrophobicContact CB-CE2 3.68Å; L57-Y180 HydrophobicContact CB-CG 3.69Å; L57-Y180 HydrophobicContact CD1-CD1 4.29Å; L57-Y180 HydrophobicContact CD1-CD2 4.15Å; L57-Y180 HydrophobicContact CD1-CE1 3.83Å; L57-Y180 HydrophobicContact CD1-CE2 3.68Å; L57-Y180 HydrophobicContact CD1-CG 4.43Å; L57-Y180 VanDerWaalsContact CD1-CZ 3.49Å; L57-Y180 HydrophobicContact CG-CD2 4.31Å; L57-Y180 HydrophobicContact CG-CE2 4.18Å
58	A	93.5	Very high	92.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-39	174.6	0	0	0	0	0	112.6	L49 Y51 Q54 Q55 T62 V181	L49-A58 HydrophobicContact CD1-CB 3.75Å; Y51-A58 VanDerWaalsContact CB-CB 3.43Å; Y51-A58 HydrophobicContact CD1-CB 4.11Å; Y51-A58 HydrophobicContact CD2-CB 4.1Å; Y51-A58 HydrophobicContact CG-CB 3.61Å; Q54-A58 PolarHBondContact O-N 3.22Å; Q55-A58 PolarHBondContact O-N 3.29Å; A58-T62 WeakPolarHBondContact O-CB 3.37Å; A58-T62 PolarHBondContact O-N 2.79Å; A58-T62 PolarHBondContact O-OG1 2.79Å; A58-V181 HydrophobicContact CB-CG2 4.26Å; A58-V181 WeakPolarHBondContact O-CG2 3.36Å
59	H	92.2	Very high	92.2	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.014	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-47.7	173.3	-75.2	-166.4	0	0	0	111.4	Q55 R56 L57 E61 T62 Y63 Y116 S148	Q55-H59 PolarHBondContact NE2-CE1 2.95Å; Q55-H59 VanDerWaalsContact NE2-CE1 3.3Å; Q55-H59 PolarHBondContact NE2-NE2 2.83Å; Q55-H59 PolarHBondContact O-CD2 3.14Å; Q55-H59 PolarHBondContact O-N 3.07Å; R56-H59 WeakPolarHBondContact O-CB 3.32Å; R56-H59 PolarHBondContact O-N 2.91Å; L57-H59 VanDerWaalsContact C-N 3.33Å; L57-H59 PolarHBondContact O-N 3.11Å; H59-E61 PolarHBondContact O-N 3.02Å; H59-T62 PolarHBondContact O-N 3.04Å; H59-Y63 HydrophobicContact CB-CD2 4.42Å; H59-Y63 HydrophobicContact CB-CE2 4.09Å; H59-Y63 WeakPolarHBondContact O-CD2 3.48Å; H59-Y63 PolarHBondContact O-N 3.2Å; H59-Y116 HydrophobicContact CB-CE2 3.87Å; H59-Y116 AromaticContact ND1-CE2 3.98Å; H59-Y116 AromaticContact ND1-CZ 3.9Å; H59-Y116 PolarHBondContact ND1-OH 2.85Å; H59-S148 VanDerWaalsContact NE2-CB 3.3Å; H59-S148 WeakPolarHBondContact NE2-CB 3.2Å; H59-S148 PolarHBondContact NE2-OG 3.32Å; H59-S148 VanDerWaalsContact NE2-OG 3.14Å
60	I	90.2	Very high	92	Very high	29 Å²	29	45.3 Å²	45.3	15%	0.149	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-50.2	178.7	-69	172.9	0	0	0	110.9	R56 L57 T62 Y63 R64 Y116 L119	R56-I60 HydrophobicContact CG-CD1 4.28Å; R56-I60 VanDerWaalsContact O-CG1 3.26Å; R56-I60 WeakPolarHBondContact O-CG1 3.08Å; R56-I60 PolarHBondContact O-N 2.8Å; R56-I60 VanDerWaalsContact O-N 3.08Å; L57-I60 PolarHBondContact O-N 2.98Å; I60-T62 PolarHBondContact O-N 3.09Å; I60-Y63 PolarHBondContact O-N 3.15Å; I60-R64 PolarHBondContact O-N 3.18Å; I60-Y116 HydrophobicContact CD1-CD2 4.22Å; I60-Y116 HydrophobicContact CG1-CD2 4.01Å; I60-L119 HydrophobicContact CB-CD1 3.91Å; I60-L119 HydrophobicContact CD1-CD1 3.59Å; I60-L119 HydrophobicContact CG1-CD1 3.4Å; I60-L119 VanDerWaalsContact CG1-CD1 3.4Å; I60-L119 HydrophobicContact CG2-CD1 3.41Å; I60-L119 VanDerWaalsContact CG2-CD1 3.41Å
61	E	91.8	Very high	91.6	Very high	25 Å²	25	48.5 Å²	48.5	12%	0.117	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-40.6	177.8	-72	-177.9	157.8	0	0	111.9	L57 H59 Y63 R64 L65 S178 R179 Y180 V181	L57-E61 PolarHBondContact O-N 2.92Å; H59-E61 PolarHBondContact O-N 3.02Å; E61-Y63 PolarHBondContact O-N 3.27Å; E61-R64 PolarHBondContact O-N 3.03Å; E61-L65 VanDerWaalsContact O-CG 3.29Å; E61-L65 WeakPolarHBondContact O-CG 3.25Å; E61-L65 PolarHBondContact O-N 2.93Å; E61-S178 PolarHBondContact OE2-OG 2.75Å; E61-R179 PolarHBondContact OE1-N 3.02Å; E61-R179 PolarHBondContact OE2-N 3.44Å; E61-R179 VanDerWaalsContact OE2-N 3.11Å; E61-Y180 HydrophobicContact CG-CD2 4.24Å; E61-Y180 WeakPolarHBondContact OE1-CD2 3.36Å; E61-Y180 WeakPolarHBondContact OE2-CA 3.41Å; E61-Y180 VanDerWaalsContact OE2-CB 3.28Å; E61-Y180 WeakPolarHBondContact OE2-CB 3.31Å; E61-Y180 WeakPolarHBondContact OE2-CD2 3.39Å; E61-Y180 PolarHBondContact OE2-N 3.5Å; E61-V181 HydrophobicContact CB-CG2 4.01Å; E61-V181 PolarHBondContact OE2-N 3.3Å
62	T	94.3	Very high	91.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-46.4	177.5	-58.5	0	0	0	0	111.4	A58 H59 I60 R64 L65 L66 I150 V181 L184	A58-T62 WeakPolarHBondContact O-CB 3.37Å; A58-T62 PolarHBondContact O-N 2.79Å; A58-T62 PolarHBondContact O-OG1 2.79Å; H59-T62 PolarHBondContact O-N 3.04Å; I60-T62 PolarHBondContact O-N 3.09Å; T62-R64 PolarHBondContact O-N 2.88Å; T62-L65 PolarHBondContact O-N 3.45Å; T62-L66 HydrophobicContact CG2-CD1 3.88Å; T62-L66 HydrophobicContact CG2-CG 4.37Å; T62-L66 VanDerWaalsContact O-CG 3.32Å; T62-L66 WeakPolarHBondContact O-CG 3.49Å; T62-L66 PolarHBondContact O-N 3.42Å; T62-I150 HydrophobicContact CG2-CG1 4.18Å; T62-V181 WeakPolarHBondContact OG1-CG2 3.49Å; T62-L184 HydrophobicContact CG2-CD1 3.86Å
63	Y	92.3	Very high	91.2	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.02	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-41.8	177.8	-66.1	-52.9	0	0	0	112.2	H59 I60 E61 L65 L66 N67 L120 N123 F137 S139 I150	H59-Y63 HydrophobicContact CB-CD2 4.42Å; H59-Y63 HydrophobicContact CB-CE2 4.09Å; H59-Y63 WeakPolarHBondContact O-CD2 3.48Å; H59-Y63 PolarHBondContact O-N 3.2Å; I60-Y63 PolarHBondContact O-N 3.15Å; E61-Y63 PolarHBondContact O-N 3.27Å; Y63-L65 PolarHBondContact O-N 3.03Å; Y63-L66 PolarHBondContact O-N 3.01Å; Y63-N67 VanDerWaalsContact O-CB 3.3Å; Y63-N67 WeakPolarHBondContact O-CB 3.43Å; Y63-N67 VanDerWaalsContact O-CG 3.28Å; Y63-N67 PolarHBondContact O-N 3.06Å; Y63-N67 PolarHBondContact O-ND2 3.12Å; Y63-L120 HydrophobicContact CE2-CD2 3.99Å; Y63-N123 VanDerWaalsContact CB-ND2 3.3Å; Y63-N123 WeakPolarHBondContact CB-ND2 3.45Å; Y63-N123 WeakPolarHBondContact CD1-ND2 3.17Å; Y63-N123 WeakPolarHBondContact CD2-ND2 3.48Å; Y63-F137 HydrophobicContact CD1-CB 3.87Å; Y63-F137 HydrophobicContact CE1-CB 3.84Å; Y63-S139 VanDerWaalsContact OH-CB 3.27Å; Y63-S139 WeakPolarHBondContact OH-CB 3.44Å; Y63-S139 PolarHBondContact OH-N 2.95Å; Y63-I150 HydrophobicContact CD1-CG2 4.49Å; Y63-I150 HydrophobicContact CE1-CD1 4.09Å; Y63-I150 HydrophobicContact CE1-CG2 3.87Å
64	R	91.1	Very high	91.1	Very high	172 Å²	172	39.8 Å²	39.8	65%	0.649	19%	0.185	S	C	*	.	H	α-helix	trans	-58.9	-46.7	174.4	178.4	-178.7	164.4	135.6	0.7	111.6	I60 E61 T62 H68	I60-R64 PolarHBondContact O-N 3.18Å; E61-R64 PolarHBondContact O-N 3.03Å; T62-R64 PolarHBondContact O-N 2.88Å; R64-H68 WeakPolarHBondContact O-CB 3.45Å; R64-H68 PolarHBondContact O-N 3.23Å
65	L	93.3	Very high	90.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-58.7	-51.2	178.2	-73	170.5	0	0	0	111.3	E61 T62 Y63 T69 V166 L170 E177 V332	E61-L65 VanDerWaalsContact O-CG 3.29Å; E61-L65 WeakPolarHBondContact O-CG 3.25Å; E61-L65 PolarHBondContact O-N 2.93Å; T62-L65 PolarHBondContact O-N 3.45Å; Y63-L65 PolarHBondContact O-N 3.03Å; L65-T69 PolarHBondContact O-N 2.91Å; L65-T69 PolarHBondContact O-OG1 2.88Å; L65-V166 HydrophobicContact CB-CG1 4.27Å; L65-V166 HydrophobicContact CD2-CG1 4.31Å; L65-L170 HydrophobicContact CD2-CD2 4.09Å; L65-E177 HydrophobicContact CD2-CB 3.68Å; L65-E177 WeakPolarHBondContact CD2-OE2 3.26Å; L65-V332 HydrophobicContact CD1-CG1 4.37Å
66	L	93.7	Very high	90.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.3	-46.8	-176.5	-67.3	174.2	0	0	0	112.6	Y47 T62 Y63 T69 L70 F137 I150 L162 V166 L184	Y47-L66 HydrophobicContact CD1-CD2 4.41Å; Y47-L66 HydrophobicContact CD2-CD1 3.82Å; Y47-L66 HydrophobicContact CD2-CD2 4.46Å; Y47-L66 HydrophobicContact CE1-CD2 3.89Å; Y47-L66 HydrophobicContact CE2-CD1 3.79Å; Y47-L66 HydrophobicContact CE2-CD2 3.96Å; Y47-L66 HydrophobicContact CG-CD1 4.43Å; T62-L66 HydrophobicContact CG2-CD1 3.88Å; T62-L66 HydrophobicContact CG2-CG 4.37Å; T62-L66 VanDerWaalsContact O-CG 3.32Å; T62-L66 WeakPolarHBondContact O-CG 3.49Å; T62-L66 PolarHBondContact O-N 3.42Å; Y63-L66 PolarHBondContact O-N 3.01Å; L66-T69 PolarHBondContact O-N 3.49Å; L66-L70 VanDerWaalsContact O-CB 3.32Å; L66-L70 WeakPolarHBondContact O-CB 3.29Å; L66-L70 PolarHBondContact O-N 3.08Å; L66-F137 HydrophobicContact CB-CD2 3.95Å; L66-F137 HydrophobicContact CB-CE1 4.24Å; L66-F137 HydrophobicContact CB-CE2 3.63Å; L66-F137 HydrophobicContact CB-CG 4.4Å; L66-F137 HydrophobicContact CB-CZ 3.8Å; L66-F137 HydrophobicContact CD1-CD1 3.88Å; L66-F137 HydrophobicContact CD1-CD2 4.42Å; L66-F137 HydrophobicContact CD1-CE1 4.12Å; L66-F137 HydrophobicContact CD1-CG 4.05Å; L66-I150 HydrophobicContact CD1-CG2 4.43Å; L66-L162 HydrophobicContact CB-CD2 4.48Å; L66-L162 HydrophobicContact CD2-CD2 4.02Å; L66-L162 HydrophobicContact CD2-CG 4.27Å; L66-V166 HydrophobicContact CD2-CG2 4.39Å; L66-L184 HydrophobicContact CD2-CD2 4.5Å
67	N	91.3	Very high	89.8	Confident	34 Å²	34	43 Å²	43	18%	0.182	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-44.6	179	-71.4	-25.3	0	0	0	111.2	Y63 T69 L70 D71 N123 F137	Y63-N67 VanDerWaalsContact O-CB 3.3Å; Y63-N67 WeakPolarHBondContact O-CB 3.43Å; Y63-N67 VanDerWaalsContact O-CG 3.28Å; Y63-N67 PolarHBondContact O-N 3.06Å; Y63-N67 PolarHBondContact O-ND2 3.12Å; N67-T69 VanDerWaalsContact C-N 3.31Å; N67-T69 PolarHBondContact O-N 3.24Å; N67-L70 WeakPolarHBondContact O-CB 3.22Å; N67-L70 PolarHBondContact O-N 3.25Å; N67-D71 PolarHBondContact O-N 3.05Å; N67-N123 PolarHBondContact ND2-OD1 3.08Å; N67-F137 VanDerWaalsContact OD1-CD2 3.22Å; N67-F137 WeakPolarHBondContact OD1-CD2 3.42Å; N67-F137 VanDerWaalsContact OD1-CE2 3.29Å; N67-F137 WeakPolarHBondContact OD1-CE2 3.33Å
68	H	90.4	Very high	88.7	Confident	76 Å²	76	46.5 Å²	46.5	35%	0.352	23%	0.227	S	C	.	.	H	α-helix	trans	-57.6	-45.4	179.4	-177.6	-162.1	0	0	0	111.4	R64 D71 E72 R169 E177	R64-H68 WeakPolarHBondContact O-CB 3.45Å; R64-H68 PolarHBondContact O-N 3.23Å; H68-D71 PolarHBondContact O-N 2.85Å; H68-E72 IonicContact CD2-OE1 2.83Å; H68-E72 IonicContact CE1-OE1 3.34Å; H68-E72 IonicContact NE2-OE1 3.22Å; H68-E72 PolarHBondContact NE2-OE1 3.13Å; H68-E72 WeakPolarHBondContact O-CG 3.34Å; H68-E72 PolarHBondContact O-N 2.89Å; H68-E72 VanDerWaalsContact O-N 3.15Å; H68-R169 PolarHBondContact CE1-NH1 2.91Å; H68-R169 PolarHBondContact ND1-NH1 2.56Å; H68-R169 PolarHBondContact ND1-NH2 3.23Å; H68-R169 VanDerWaalsContact ND1-NH2 3.17Å; H68-E177 IonicContact ND1-OE2 2.9Å
69	T	93	Very high	86.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-70	-33.3	176.8	-56.1	0	0	0	0	112.5	L65 L66 N67 I73 L162 R165 V166 R169	L65-T69 PolarHBondContact O-N 2.91Å; L65-T69 PolarHBondContact O-OG1 2.88Å; L66-T69 PolarHBondContact O-N 3.49Å; N67-T69 VanDerWaalsContact C-N 3.31Å; N67-T69 PolarHBondContact O-N 3.24Å; T69-I73 HydrophobicContact CG2-CD1 3.98Å; T69-I73 WeakPolarHBondContact O-CD1 3.41Å; T69-I73 VanDerWaalsContact O-CG1 3.25Å; T69-I73 WeakPolarHBondContact O-CG1 3.15Å; T69-I73 PolarHBondContact O-N 2.89Å; T69-I73 VanDerWaalsContact O-N 3.14Å; T69-L162 HydrophobicContact CG2-CD1 3.64Å; T69-R165 HydrophobicContact CG2-CB 3.47Å; T69-R165 VanDerWaalsContact CG2-CB 3.47Å; T69-V166 HydrophobicContact CG2-CG2 4.17Å; T69-V166 VanDerWaalsContact OG1-CG2 3.3Å; T69-V166 WeakPolarHBondContact OG1-CG2 3.39Å; T69-R169 PolarHBondContact OG1-NH1 3.22Å
70	L	91.4	Very high	85.1	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-66.3	-39.8	175.6	-173.5	67.4	0	0	0	111.9	L66 N67 I73 S74 V136 F137 T154 L156 L157 L162	L66-L70 VanDerWaalsContact O-CB 3.32Å; L66-L70 WeakPolarHBondContact O-CB 3.29Å; L66-L70 PolarHBondContact O-N 3.08Å; N67-L70 WeakPolarHBondContact O-CB 3.22Å; N67-L70 PolarHBondContact O-N 3.25Å; L70-I73 PolarHBondContact O-N 3.17Å; L70-S74 WeakPolarHBondContact O-CB 3.22Å; L70-S74 PolarHBondContact O-N 3.46Å; L70-S74 PolarHBondContact O-OG 3.26Å; L70-V136 HydrophobicContact CD2-CB 4.26Å; L70-V136 HydrophobicContact CD2-CG1 3.7Å; L70-V136 HydrophobicContact CD2-CG2 4.17Å; L70-F137 HydrophobicContact CD2-CE2 3.98Å; L70-F137 HydrophobicContact CD2-CZ 4.12Å; L70-T154 HydrophobicContact CD1-CG2 4.2Å; L70-L156 HydrophobicContact CD1-CD1 3.98Å; L70-L157 HydrophobicContact CD1-CD2 3.69Å; L70-L162 HydrophobicContact CB-CD1 4.4Å
71	D	89	Confident	82.7	Confident	85 Å²	85	60.2 Å²	60.2	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-65.1	-45.7	177.5	-66.7	-23	0	0	0	110.5	N67 H68 I73 S74 V75	N67-D71 PolarHBondContact O-N 3.05Å; H68-D71 PolarHBondContact O-N 2.85Å; D71-I73 VanDerWaalsContact C-N 3.33Å; D71-I73 PolarHBondContact O-N 2.85Å; D71-S74 PolarHBondContact O-N 2.87Å; D71-V75 WeakPolarHBondContact O-CG2 3.4Å; D71-V75 PolarHBondContact O-N 3.45Å
72	E	89.1	Confident	79.8	Confident	70 Å²	70	62.8 Å²	62.8	33%	0.327	34%	0.336	S	S	.	.	H	α-helix	trans	-53.8	-48.1	173.6	-73	168.6	161.1	0	0	111.5	H68 V75 E76 R169	H68-E72 IonicContact CD2-OE1 2.83Å; H68-E72 IonicContact CE1-OE1 3.34Å; H68-E72 IonicContact NE2-OE1 3.22Å; H68-E72 PolarHBondContact NE2-OE1 3.13Å; H68-E72 WeakPolarHBondContact O-CG 3.34Å; H68-E72 PolarHBondContact O-N 2.89Å; H68-E72 VanDerWaalsContact O-N 3.15Å; E72-V75 PolarHBondContact O-N 3.5Å; E72-E76 WeakPolarHBondContact O-CG 3.47Å; E72-E76 PolarHBondContact O-N 3.38Å; E72-R169 WeakPolarHBondContact OE1-CD 3.3Å; E72-R169 IonicContact OE1-NH1 3.17Å; E72-R169 PolarHBondContact OE1-NH1 3.49Å; E72-R169 IonicContact OE2-CZ 3.95Å; E72-R169 IonicContact OE2-NH1 3.95Å; E72-R169 PolarHBondContact OE2-NH1 3.16Å
73	I	88.4	Confident	76.8	Confident	7 Å²	7	73.3 Å²	73.3	4%	0.036	38%	0.377	C	S	.	.	H	α-helix	trans	-70.1	-34.1	-178.8	-66.6	168.2	0	0	0	112.1	T69 L70 D71 V75 E76 K77 L157 L162 R165	T69-I73 HydrophobicContact CG2-CD1 3.98Å; T69-I73 WeakPolarHBondContact O-CD1 3.41Å; T69-I73 VanDerWaalsContact O-CG1 3.25Å; T69-I73 WeakPolarHBondContact O-CG1 3.15Å; T69-I73 PolarHBondContact O-N 2.89Å; T69-I73 VanDerWaalsContact O-N 3.14Å; L70-I73 PolarHBondContact O-N 3.17Å; D71-I73 VanDerWaalsContact C-N 3.33Å; D71-I73 PolarHBondContact O-N 2.85Å; I73-V75 VanDerWaalsContact C-N 3.32Å; I73-E76 PolarHBondContact O-N 3.02Å; I73-K77 PolarHBondContact O-N 3.42Å; I73-K77 VanDerWaalsContact O-N 3.13Å; I73-L157 HydrophobicContact CD1-CD1 3.63Å; I73-L162 HydrophobicContact CD1-CD1 3.96Å; I73-R165 HydrophobicContact CD1-CB 4.21Å; I73-R165 HydrophobicContact CD1-CG 3.97Å
74	S	85.8	Confident	73.9	Confident	27 Å²	27	82.1 Å²	82.1	19%	0.189	42%	0.416	C	S	.	.	H	α-helix	trans	-64.9	-41.2	177.2	-57.3	0	0	0	0	110.4	L70 D71 K77 D78	L70-S74 WeakPolarHBondContact O-CB 3.22Å; L70-S74 PolarHBondContact O-N 3.46Å; L70-S74 PolarHBondContact O-OG 3.26Å; D71-S74 PolarHBondContact O-N 2.87Å; S74-K77 PolarHBondContact O-N 3.01Å; S74-D78 PolarHBondContact O-N 3.38Å; S74-D78 VanDerWaalsContact O-N 3.14Å
75	V	84.9	Confident	70.9	Confident	107 Å²	107	80.4 Å²	80.4	65%	0.648	42%	0.42	S	S	*	.	H	α-helix	trans	-66.1	-40.4	174.4	176.3	0	0	0	0	112.1	D71 E72 I73 K77 G79	D71-V75 WeakPolarHBondContact O-CG2 3.4Å; D71-V75 PolarHBondContact O-N 3.45Å; E72-V75 PolarHBondContact O-N 3.5Å; I73-V75 VanDerWaalsContact C-N 3.32Å; V75-K77 VanDerWaalsContact C-N 3.3Å; V75-K77 PolarHBondContact O-N 3.18Å; V75-G79 PolarHBondContact O-N 2.98Å
76	E	84.5	Confident	68	Low	102 Å²	102	88.2 Å²	88.2	48%	0.477	46%	0.462	S	S	.	.	H	α-helix	trans	-58.7	-40.2	175.9	-74.7	174.5	-166.2	0	0	112.3	E72 I73 R165	E72-E76 WeakPolarHBondContact O-CG 3.47Å; E72-E76 PolarHBondContact O-N 3.38Å; I73-E76 PolarHBondContact O-N 3.02Å; E76-R165 IonicContact OE1-NH1 3.94Å; E76-R165 PolarHBondContact OE1-NH1 3.41Å; E76-R165 IonicContact OE1-NH2 3.99Å; E76-R165 IonicContact OE2-CZ 3.6Å; E76-R165 IonicContact OE2-NH1 2.88Å; E76-R165 PolarHBondContact OE2-NH1 3.27Å; E76-R165 IonicContact OE2-NH2 2.78Å; E76-R165 PolarHBondContact OE2-NH2 2.97Å
77	K	74.4	Confident	64.8	Low	101 Å²	101	93.7 Å²	93.7	44%	0.439	50%	0.5	S	S	.	.	H	α-helix	trans	-74	-45.9	-178.8	-72.3	-172.4	177	-172.2	0	112.3	I73 S74 V75 G79 S80 L156	I73-K77 PolarHBondContact O-N 3.42Å; I73-K77 VanDerWaalsContact O-N 3.13Å; S74-K77 PolarHBondContact O-N 3.01Å; V75-K77 VanDerWaalsContact C-N 3.3Å; V75-K77 PolarHBondContact O-N 3.18Å; K77-G79 VanDerWaalsContact C-N 3.31Å; K77-G79 PolarHBondContact O-N 3.46Å; K77-S80 PolarHBondContact O-N 3.16Å; K77-S80 PolarHBondContact O-OG 3Å; K77-L156 PolarHBondContact NZ-O 2.85Å
78	D	69	Low	62.1	Low	130 Å²	130	97.1 Å²	97.1	70%	0.695	52%	0.524	S	S	*	.	H	α-helix	trans	-69.1	-30.1	179.3	-68.4	-20.9	0	0	0	112.3	S74 S80	S74-D78 PolarHBondContact O-N 3.38Å; S74-D78 VanDerWaalsContact O-N 3.14Å; D78-S80 VanDerWaalsContact C-N 3.29Å; D78-S80 PolarHBondContact O-N 3.41Å
79	G	55.3	Low	59.1	Low	37 Å²	37	98.6 Å²	98.6	38%	0.381	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.8	179.5	0	0	0	0	0	115.4	V75 K77	V75-G79 PolarHBondContact O-N 2.98Å; K77-G79 VanDerWaalsContact C-N 3.31Å; K77-G79 PolarHBondContact O-N 3.46Å
80	S	53.3	Low	56.1	Low	96 Å²	96	106.4 Å²	106.4	67%	0.671	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-8.6	179.6	63.7	0	0	0	0	114.4	K77 D78	K77-S80 PolarHBondContact O-N 3.16Å; K77-S80 PolarHBondContact O-OG 3Å; D78-S80 VanDerWaalsContact C-N 3.29Å; D78-S80 PolarHBondContact O-N 3.41Å
81	E	40.9	Very low	53.1	Low	188 Å²	188	111.5 Å²	111.5	88%	0.879	61%	0.611	S	S	*	*	S	Bend	trans	-112.6	6.4	174.1	-70.6	-158.1	157.6	0	0	115.2
82	A	31.3	Very low	50.3	Low	78 Å²	78	114.1 Å²	114.1	65%	0.645	63%	0.625	S	S	*	*			trans	-139.1	66.4	-175.7	0	0	0	0	0	114.8
83	Y	30.2	Very low	47.5	Very low	221 Å²	221	117.6 Å²	117.6	87%	0.867	65%	0.646	S	S	*	*			trans	-96	89.4	152.7	-81	-84.6	0	0	0	109.5
84	K	31.3	Very low	44.7	Very low	190 Å²	190	125.6 Å²	125.6	83%	0.826	68%	0.683	S	S	*	*	S	Bend	trans	176.8	127.2	146.3	-96.9	158.3	-169.7	-176.2	0	109.7
85	N	29	Very low	41.9	Very low	136 Å²	136	132.5 Å²	132.5	73%	0.727	72%	0.717	S	S	*	*			trans	85.2	82.3	162.2	-44.9	-20.9	0	0	0	116.2
86	N	31.6	Very low	39.4	Very low	166 Å²	166	133.7 Å²	133.7	89%	0.888	72%	0.724	S	S	*	*				166.5	125.2	100	-79.1	-24.8	0	0	0	111.2
87	S	26.5	Very low	36.5	Very low	114 Å²	114	132 Å²	132	80%	0.797	74%	0.735	S	S	*	*			trans	-140.3	157.1	161.9	-168	0	0	0	0	105
88	P	33.8	Very low	34.5	Very low	106 Å²	106	132.8 Å²	132.8	69%	0.688	75%	0.753	S	S	*	*			cis	-133	-171.9	-6.1	21.2	4.9	0	0	0	112.6
89	V	27.9	Very low	32.7	Very low	108 Å²	108	135.6 Å²	135.6	66%	0.655	76%	0.758	S	S	*	*			trans	87.6	108.3	153.6	-164.3	0	0	0	0	117.5
90	N	31.1	Very low	31.3	Very low	164 Å²	164	139.9 Å²	139.9	88%	0.877	78%	0.78	S	S	*	*				-147.1	98.9	118.8	-104.3	-12.1	0	0	0	110.1
91	T	28.4	Very low	30.1	Very low	109 Å²	109	145.2 Å²	145.2	67%	0.669	79%	0.791	S	S	*	*			trans	-56.7	132	153.7	-31.8	0	0	0	0	108.1
92	N	28.7	Very low	29.3	Very low	139 Å²	139	143.1 Å²	143.1	74%	0.743	79%	0.786	S	S	*	*			trans	139.8	97.2	156.9	-68.7	-13.4	0	0	0	110.9
93	N	31.8	Very low	29.2	Very low	144 Å²	144	147 Å²	147	77%	0.77	79%	0.793	S	S	*	*				166.9	110.6	116	-85.1	-5.9	0	0	0	112.4
94	E	28.7	Very low	29.2	Very low	175 Å²	175	141.6 Å²	141.6	82%	0.818	78%	0.782	S	S	*	*			trans	58.6	113.5	134.6	-65.5	-174.5	141.8	0	0	120.9
95	L	27.4	Very low	29	Very low	171 Å²	171	137.4 Å²	137.4	90%	0.895	78%	0.777	S	S	*	*			trans	-53.3	127.8	149.9	-76.1	91	0	0	0	110.8
96	V	32.6	Very low	29.1	Very low	133 Å²	133	138.6 Å²	138.6	81%	0.806	78%	0.783	S	S	*	*			trans	-119.9	103.1	145.7	175.7	0	0	0	0	107.5
97	G	24.3	Very low	29	Very low	67 Å²	67	139.3 Å²	139.3	69%	0.691	78%	0.782	S	S	*	*			trans	-65.4	145	169.2	0	0	0	0	0	110.9
98	S	32.3	Very low	29.6	Very low	117 Å²	117	143.3 Å²	143.3	82%	0.818	79%	0.785	S	S	*	*			trans	-134.2	125.5	161.5	-75.5	0	0	0	0	109.4
99	K	29.6	Very low	29.9	Very low	188 Å²	188	146.1 Å²	146.1	82%	0.817	79%	0.794	S	S	*	*			trans	-59.4	160	-166	-77.6	168.6	173.1	174	0	114.7	F101	K99-F101 PolarHBondContact O-N 3.17Å
100	P	25.8	Very low	30.6	Very low	127 Å²	127	143.2 Å²	143.2	83%	0.825	79%	0.786	S	S	*	*			trans	-71.7	125.7	173.3	31.7	-31.8	0	0	0	109.2
101	F	28.9	Very low	31.6	Very low	209 Å²	209	142.6 Å²	142.6	92%	0.917	78%	0.783	S	S	*	*			trans	-96.3	107.9	169.7	-115.9	-88.9	0	0	0	109.6	K99	K99-F101 PolarHBondContact O-N 3.17Å
102	N	23.6	Very low	32.6	Very low	144 Å²	144	141 Å²	141	77%	0.77	77%	0.773	S	S	*	*			trans	-89.1	162.9	165	-152.9	-2.8	0	0	0	108.5
103	M	30	Very low	34	Very low	159 Å²	159	139 Å²	139	78%	0.783	76%	0.762	S	S	*	*			trans	92.5	109.3	168	-70.5	-167.7	75.1	0	0	120.4
104	V	30.1	Very low	35.9	Very low	107 Å²	107	136.9 Å²	136.9	65%	0.648	75%	0.751	S	S	*	*				84	105.4	123.5	-179.4	0	0	0	0	117.9
105	S	27.8	Very low	37.7	Very low	102 Å²	102	133.2 Å²	133.2	71%	0.713	74%	0.736	S	S	*	*				40.6	108.8	128.6	-33.9	0	0	0	0	118.2
106	D	30.7	Very low	39.8	Very low	161 Å²	161	127.3 Å²	127.3	86%	0.861	70%	0.702	S	S	*	*				-168.8	145.8	113.1	-119.9	-25.1	0	0	0	113.2	K108	D106-K108 PolarHBondContact O-N 2.83Å
107	E	29.9	Very low	41.7	Very low	182 Å²	182	123.4 Å²	123.4	85%	0.85	68%	0.681	S	S	*	*			trans	-69	100.1	-170.7	-58.4	-177.4	152.5	0	0	114.2
108	K	37.7	Very low	43.8	Very low	198 Å²	198	123.4 Å²	123.4	86%	0.861	66%	0.663	S	S	*	*			trans	-148.2	121.6	153.5	-71.2	-165.7	-179.2	159.3	0	113	D106 G110	D106-K108 PolarHBondContact O-N 2.83Å; K108-G110 PolarHBondContact O-N 3.47Å
109	N	40.5	Very low	45.5	Very low	164 Å²	164	119.6 Å²	119.6	88%	0.877	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	40.7	177.5	-73.7	-48.6	0	0	0	115.3
110	G	42.9	Very low	47.4	Very low	48 Å²	48	113 Å²	113	50%	0.495	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.5	-45.8	-175.1	0	0	0	0	0	115.3	K108 T112 D113	K108-G110 PolarHBondContact O-N 3.47Å; G110-T112 PolarHBondContact O-N 3.29Å; G110-D113 PolarHBondContact O-N 2.9Å
111	D	51.1	Low	49.4	Very low	151 Å²	151	112.5 Å²	112.5	81%	0.807	59%	0.588	S	S	*	*	H	α-helix	trans	-75.3	-26.3	-168.1	-81.2	-16.8	0	0	0	114.7	D113 D114	D111-D113 PolarHBondContact O-N 3.08Å; D111-D114 PolarHBondContact O-N 3.07Å
112	T	50.3	Low	51.1	Low	76 Å²	76	105.6 Å²	105.6	47%	0.466	56%	0.559	S	S	.	*	H	α-helix	trans	-65	-31.8	178.6	64.5	0	0	0	0	111.3	R56 G110 D114 L115 Y116	R56-T112 PolarHBondContact NE-O 2.86Å; R56-T112 PolarHBondContact NH1-O 3.07Å; R56-T112 PolarHBondContact NH1-OG1 3.13Å; R56-T112 VanDerWaalsContact NH2-C 3.27Å; R56-T112 PolarHBondContact NH2-O 3.47Å; G110-T112 PolarHBondContact O-N 3.29Å; T112-D114 VanDerWaalsContact C-N 3.33Å; T112-D114 PolarHBondContact O-N 3.34Å; T112-L115 PolarHBondContact O-N 3.04Å; T112-Y116 PolarHBondContact O-N 3.34Å
113	D	58.8	Low	52.9	Low	97 Å²	97	99.5 Å²	99.5	52%	0.519	53%	0.527	S	S	.	.	H	α-helix	trans	-61	-35.4	179.5	-92.2	4.7	0	0	0	114.5	R56 G110 D111 S117	R56-D113 IonicContact CZ-OD1 3.9Å; R56-D113 VanDerWaalsContact CZ-OD1 3.32Å; R56-D113 IonicContact NH1-OD1 3.76Å; R56-D113 PolarHBondContact NH1-OD1 3.46Å; R56-D113 IonicContact NH2-OD1 3.25Å; R56-D113 PolarHBondContact NH2-OD1 3.35Å; G110-D113 PolarHBondContact O-N 2.9Å; D111-D113 PolarHBondContact O-N 3.08Å; D113-S117 VanDerWaalsContact O-CB 3.31Å; D113-S117 WeakPolarHBondContact O-CB 3.44Å; D113-S117 PolarHBondContact O-N 3.25Å; D113-S117 PolarHBondContact O-OG 2.97Å
114	D	72	Confident	54	Low	99 Å²	99	92.9 Å²	92.9	53%	0.529	50%	0.496	S	S	.	.	H	α-helix	trans	-72.3	-43.6	175.6	-166.3	27.5	0	0	0	112	D111 T112 Y116 S117 Q118 R121	D111-D114 PolarHBondContact O-N 3.07Å; T112-D114 VanDerWaalsContact C-N 3.33Å; T112-D114 PolarHBondContact O-N 3.34Å; D114-Y116 PolarHBondContact O-N 3.48Å; D114-S117 CarbonylContact O-C 3.54Å; D114-S117 WeakPolarHBondContact O-CB 3.21Å; D114-S117 PolarHBondContact O-N 3.39Å; D114-S117 VanDerWaalsContact O-N 3.13Å; D114-Q118 WeakPolarHBondContact O-CB 3.36Å; D114-Q118 PolarHBondContact O-N 3.34Å; D114-R121 IonicContact OD1-NH2 3.21Å; D114-R121 PolarHBondContact OD1-NH2 3.04Å; D114-R121 VanDerWaalsContact OD1-NH2 3.17Å
115	L	65.9	Low	54.9	Low	98 Å²	98	90.7 Å²	90.7	51%	0.513	49%	0.485	S	S	.	.	H	α-helix	trans	-61.2	-44.3	-177	-179.9	62	0	0	0	113.5	T112 S117 Q118 L119	T112-L115 PolarHBondContact O-N 3.04Å; L115-S117 VanDerWaalsContact C-N 3.34Å; L115-Q118 WeakPolarHBondContact O-CB 3.43Å; L115-Q118 PolarHBondContact O-N 3.43Å; L115-L119 HydrophobicContact CD1-CD1 4.11Å; L115-L119 HydrophobicContact CD1-CG 4.41Å; L115-L119 HydrophobicContact CG-CD1 4.06Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 3.34Å
116	Y	70.6	Confident	55.7	Low	46 Å²	46	91.1 Å²	91.1	18%	0.18	48%	0.479	C	S	.	.	H	α-helix	trans	-69.3	-36.8	176.9	-176.9	-110.8	0	0	0	111.8	R56 H59 I60 T112 D114 Q118 L119 L120	R56-Y116 HydrophobicContact CB-CD2 4.44Å; R56-Y116 HydrophobicContact CG-CD2 3.46Å; R56-Y116 VanDerWaalsContact CG-CD2 3.46Å; R56-Y116 HydrophobicContact CG-CE2 4.08Å; R56-Y116 HydrophobicContact CG-CG 3.73Å; H59-Y116 HydrophobicContact CB-CE2 3.87Å; H59-Y116 AromaticContact ND1-CE2 3.98Å; H59-Y116 AromaticContact ND1-CZ 3.9Å; H59-Y116 PolarHBondContact ND1-OH 2.85Å; I60-Y116 HydrophobicContact CD1-CD2 4.22Å; I60-Y116 HydrophobicContact CG1-CD2 4.01Å; T112-Y116 PolarHBondContact O-N 3.34Å; D114-Y116 PolarHBondContact O-N 3.48Å; Y116-Q118 VanDerWaalsContact C-N 3.27Å; Y116-Q118 PolarHBondContact O-N 3.45Å; Y116-L119 PolarHBondContact O-N 3.14Å; Y116-L120 HydrophobicContact CD1-CD1 3.73Å; Y116-L120 HydrophobicContact CD1-CG 4.36Å; Y116-L120 HydrophobicContact CE1-CD1 3.39Å; Y116-L120 HydrophobicContact CE1-CG 4.16Å; Y116-L120 HydrophobicContact CG-CD1 4.45Å; Y116-L120 WeakPolarHBondContact O-CB 3.5Å; Y116-L120 VanDerWaalsContact O-CG 3.26Å; Y116-L120 WeakPolarHBondContact O-CG 3.41Å; Y116-L120 PolarHBondContact O-N 2.93Å
117	S	73	Confident	56.3	Low	51 Å²	51	87.2 Å²	87.2	36%	0.357	45%	0.453	S	S	.	.	H	α-helix	trans	-63.6	-39.8	175	-59	0	0	0	0	110	D113 D114 L115 R121	D113-S117 VanDerWaalsContact O-CB 3.31Å; D113-S117 WeakPolarHBondContact O-CB 3.44Å; D113-S117 PolarHBondContact O-N 3.25Å; D113-S117 PolarHBondContact O-OG 2.97Å; D114-S117 CarbonylContact O-C 3.54Å; D114-S117 WeakPolarHBondContact O-CB 3.21Å; D114-S117 PolarHBondContact O-N 3.39Å; D114-S117 VanDerWaalsContact O-N 3.13Å; L115-S117 VanDerWaalsContact C-N 3.34Å; S117-R121 WeakPolarHBondContact O-CB 3.32Å; S117-R121 VanDerWaalsContact O-CG 3.25Å; S117-R121 WeakPolarHBondContact O-CG 3.48Å; S117-R121 PolarHBondContact O-N 3.07Å
118	Q	68.9	Low	56.7	Low	67 Å²	67	83.4 Å²	83.4	31%	0.313	44%	0.444	S	S	.	.	H	α-helix	trans	-64.2	-46.8	174.9	-177.7	61.4	16.2	0	0	112.3	D114 L115 Y116 L120 R121 E122	D114-Q118 WeakPolarHBondContact O-CB 3.36Å; D114-Q118 PolarHBondContact O-N 3.34Å; L115-Q118 WeakPolarHBondContact O-CB 3.43Å; L115-Q118 PolarHBondContact O-N 3.43Å; Y116-Q118 VanDerWaalsContact C-N 3.27Å; Y116-Q118 PolarHBondContact O-N 3.45Å; Q118-L120 PolarHBondContact O-N 2.94Å; Q118-R121 CarbonylContact O-C 3.57Å; Q118-R121 WeakPolarHBondContact O-CA 3.47Å; Q118-R121 VanDerWaalsContact O-CB 3.31Å; Q118-R121 WeakPolarHBondContact O-CB 3.36Å; Q118-R121 PolarHBondContact O-N 2.94Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.3Å; Q118-E122 PolarHBondContact NE2-OE1 3.43Å; Q118-E122 WeakPolarHBondContact O-CG 3.47Å; Q118-E122 PolarHBondContact O-N 3.23Å
119	L	66.7	Low	56.8	Low	38 Å²	38	79.1 Å²	79.1	20%	0.199	45%	0.446	C	S	.	.	H	α-helix	trans	-67.9	-37.2	178.9	-75.7	163.9	0	0	0	112.8	I60 L115 Y116 E122 N123	I60-L119 HydrophobicContact CB-CD1 3.91Å; I60-L119 HydrophobicContact CD1-CD1 3.59Å; I60-L119 HydrophobicContact CG1-CD1 3.4Å; I60-L119 VanDerWaalsContact CG1-CD1 3.4Å; I60-L119 HydrophobicContact CG2-CD1 3.41Å; I60-L119 VanDerWaalsContact CG2-CD1 3.41Å; L115-L119 HydrophobicContact CD1-CD1 4.11Å; L115-L119 HydrophobicContact CD1-CG 4.41Å; L115-L119 HydrophobicContact CG-CD1 4.06Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 3.34Å; Y116-L119 PolarHBondContact O-N 3.14Å; L119-E122 PolarHBondContact O-N 2.83Å; L119-N123 WeakPolarHBondContact O-CB 3.39Å; L119-N123 VanDerWaalsContact O-CG 3.28Å; L119-N123 PolarHBondContact O-N 2.91Å
120	L	70.2	Confident	56.7	Low	49 Å²	49	79.1 Å²	79.1	26%	0.257	45%	0.446	S	S	.	.	H	α-helix	trans	-57.3	-55.7	165.8	-71.4	174.7	0	0	0	108.5	Y63 Y116 Q118 E122 N123 C124	Y63-L120 HydrophobicContact CE2-CD2 3.99Å; Y116-L120 HydrophobicContact CD1-CD1 3.73Å; Y116-L120 HydrophobicContact CD1-CG 4.36Å; Y116-L120 HydrophobicContact CE1-CD1 3.39Å; Y116-L120 HydrophobicContact CE1-CG 4.16Å; Y116-L120 HydrophobicContact CG-CD1 4.45Å; Y116-L120 WeakPolarHBondContact O-CB 3.5Å; Y116-L120 VanDerWaalsContact O-CG 3.26Å; Y116-L120 WeakPolarHBondContact O-CG 3.41Å; Y116-L120 PolarHBondContact O-N 2.93Å; Q118-L120 PolarHBondContact O-N 2.94Å; L120-E122 VanDerWaalsContact C-N 3.28Å; L120-E122 PolarHBondContact O-N 3.22Å; L120-N123 WeakPolarHBondContact O-CB 3.41Å; L120-N123 PolarHBondContact O-N 2.62Å; L120-N123 VanDerWaalsContact O-N 3.15Å; L120-C124 VanDerWaalsContact C-SG 3.52Å; L120-C124 VanDerWaalsContact O-CB 3.32Å; L120-C124 WeakPolarHBondContact O-CB 3.37Å; L120-C124 PolarHBondContact O-N 3.3Å; L120-C124 PolarHBondContact O-SG 3.17Å
121	R	67.2	Low	56.7	Low	117 Å²	117	79.1 Å²	79.1	44%	0.442	44%	0.438	S	S	.	.	H	α-helix	trans	-52.8	-38.6	178.1	-76.4	-173.3	-60.7	-127.7	-2.1	114	D114 S117 Q118 C124 S125	D114-R121 IonicContact OD1-NH2 3.21Å; D114-R121 PolarHBondContact OD1-NH2 3.04Å; D114-R121 VanDerWaalsContact OD1-NH2 3.17Å; S117-R121 WeakPolarHBondContact O-CB 3.32Å; S117-R121 VanDerWaalsContact O-CG 3.25Å; S117-R121 WeakPolarHBondContact O-CG 3.48Å; S117-R121 PolarHBondContact O-N 3.07Å; Q118-R121 CarbonylContact O-C 3.57Å; Q118-R121 WeakPolarHBondContact O-CA 3.47Å; Q118-R121 VanDerWaalsContact O-CB 3.31Å; Q118-R121 WeakPolarHBondContact O-CB 3.36Å; Q118-R121 PolarHBondContact O-N 2.94Å; R121-C124 CarbonylContact O-C 3.31Å; R121-C124 VanDerWaalsContact O-C 3.31Å; R121-C124 WeakPolarHBondContact O-CA 3.31Å; R121-C124 WeakPolarHBondContact O-CB 3.45Å; R121-C124 PolarHBondContact O-N 3.25Å; R121-C124 VanDerWaalsContact O-N 3.14Å; R121-S125 WeakPolarHBondContact O-CB 3.3Å; R121-S125 PolarHBondContact O-N 3.08Å; R121-S125 PolarHBondContact O-OG 2.84Å
122	E	65.1	Low	56.4	Low	63 Å²	63	81 Å²	81	29%	0.294	44%	0.439	S	S	.	.	H	α-helix	trans	-70.1	-44.6	179.3	-79	172.5	-165.1	0	0	111.6	Q118 L119 L120 C124 S125 N126	Q118-E122 WeakPolarHBondContact CG-OE1 3.3Å; Q118-E122 PolarHBondContact NE2-OE1 3.43Å; Q118-E122 WeakPolarHBondContact O-CG 3.47Å; Q118-E122 PolarHBondContact O-N 3.23Å; L119-E122 PolarHBondContact O-N 2.83Å; L120-E122 VanDerWaalsContact C-N 3.28Å; L120-E122 PolarHBondContact O-N 3.22Å; E122-C124 PolarHBondContact O-N 3.32Å; E122-C124 VanDerWaalsContact O-N 3.09Å; E122-S125 PolarHBondContact O-N 3.13Å; E122-N126 WeakPolarHBondContact O-CB 3.45Å; E122-N126 VanDerWaalsContact O-CG 3.23Å; E122-N126 PolarHBondContact O-N 3.07Å
123	N	61.8	Low	56.2	Low	17 Å²	17	80.5 Å²	80.5	9%	0.091	43%	0.433	C	S	.	.	H	α-helix	trans	-60.8	-20.3	169.2	-69.9	-12.7	0	0	0	113	Y63 N67 L119 L120	Y63-N123 VanDerWaalsContact CB-ND2 3.3Å; Y63-N123 WeakPolarHBondContact CB-ND2 3.45Å; Y63-N123 WeakPolarHBondContact CD1-ND2 3.17Å; Y63-N123 WeakPolarHBondContact CD2-ND2 3.48Å; N67-N123 PolarHBondContact ND2-OD1 3.08Å; L119-N123 WeakPolarHBondContact O-CB 3.39Å; L119-N123 VanDerWaalsContact O-CG 3.28Å; L119-N123 PolarHBondContact O-N 2.91Å; L120-N123 WeakPolarHBondContact O-CB 3.41Å; L120-N123 PolarHBondContact O-N 2.62Å; L120-N123 VanDerWaalsContact O-N 3.15Å
124	C	53	Low	56	Low	20 Å²	20	80.5 Å²	80.5	14%	0.135	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-8.6	179.6	-61.3	0	0	0	0	114	L120 R121 E122 K134 F135	L120-C124 VanDerWaalsContact C-SG 3.52Å; L120-C124 VanDerWaalsContact O-CB 3.32Å; L120-C124 WeakPolarHBondContact O-CB 3.37Å; L120-C124 PolarHBondContact O-N 3.3Å; L120-C124 PolarHBondContact O-SG 3.17Å; R121-C124 CarbonylContact O-C 3.31Å; R121-C124 VanDerWaalsContact O-C 3.31Å; R121-C124 WeakPolarHBondContact O-CA 3.31Å; R121-C124 WeakPolarHBondContact O-CB 3.45Å; R121-C124 PolarHBondContact O-N 3.25Å; R121-C124 VanDerWaalsContact O-N 3.14Å; E122-C124 PolarHBondContact O-N 3.32Å; E122-C124 VanDerWaalsContact O-N 3.09Å; C124-K134 CarbonylContact C-O 3.01Å; C124-K134 WeakPolarHBondContact CA-O 3.22Å; C124-K134 VanDerWaalsContact O-CG 3.28Å; C124-K134 WeakPolarHBondContact O-CG 3.26Å; C124-F135 VanDerWaalsContact CA-CE1 3.48Å; C124-F135 HydrophobicContact CB-CD1 3.35Å; C124-F135 HydrophobicContact CB-CE1 3.02Å; C124-F135 HydrophobicContact CB-CZ 4.01Å; C124-F135 WeakPolarHBondContact SG-CD1 3.46Å; C124-F135 WeakPolarHBondContact SG-CE1 3.33Å
125	S	49.8	Very low	55.4	Low	61 Å²	61	76.9 Å²	76.9	43%	0.427	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.3	-8.6	-165	-49.8	0	0	0	0	116.3	R121 E122 Y127	R121-S125 WeakPolarHBondContact O-CB 3.3Å; R121-S125 PolarHBondContact O-N 3.08Å; R121-S125 PolarHBondContact O-OG 2.84Å; E122-S125 PolarHBondContact O-N 3.13Å; S125-Y127 PolarHBondContact O-N 3.5Å
126	N	43.6	Very low	56.1	Low	110 Å²	110	72.7 Å²	72.7	59%	0.588	39%	0.387	S	S	*	.			trans	-77.6	19.5	-172	-75.3	-7.2	0	0	0	115.9	E122	E122-N126 WeakPolarHBondContact O-CB 3.45Å; E122-N126 VanDerWaalsContact O-CG 3.23Å; E122-N126 PolarHBondContact O-N 3.07Å
127	Y	42.6	Very low	57	Low	79 Å²	79	70.7 Å²	70.7	31%	0.31	38%	0.379	S	S	.	.	S	Bend	trans	-114.8	140.7	167	-64.9	-76.1	0	0	0	110.2	S125 A129 S131 V136	S125-Y127 PolarHBondContact O-N 3.5Å; Y127-A129 PolarHBondContact O-N 3.34Å; Y127-S131 VanDerWaalsContact CB-OG 3.29Å; Y127-S131 WeakPolarHBondContact CB-OG 3.4Å; Y127-V136 HydrophobicContact CE2-CG2 3.71Å
128	P	39.4	Very low	57.7	Low	102 Å²	102	68.7 Å²	68.7	66%	0.662	37%	0.365	S	S	*	.			trans	-51.6	140.8	-178.1	20.9	-32.2	0	0	0	109.6	N130 S131	P128-N130 PolarHBondContact O-N 2.74Å; P128-S131 PolarHBondContact O-N 3.36Å
129	A	40.3	Very low	58.7	Low	109 Å²	109	67.5 Å²	67.5	90%	0.901	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	1.5	-170.3	0	0	0	0	0	116.4	Y127	Y127-A129 PolarHBondContact O-N 3.34Å
130	N	37.8	Very low	59.9	Low	164 Å²	164	66 Å²	66	88%	0.877	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	3.2	176.3	-106.7	-7.8	0	0	0	115.4	P128	P128-N130 PolarHBondContact O-N 2.74Å
131	S	42.5	Very low	61	Low	48 Å²	48	69.5 Å²	69.5	34%	0.336	37%	0.37	S	S	.	.			trans	-102.9	120.7	169.2	83.1	0	0	0	0	110.5	Y127 P128 N133	Y127-S131 VanDerWaalsContact CB-OG 3.29Å; Y127-S131 WeakPolarHBondContact CB-OG 3.4Å; P128-S131 PolarHBondContact O-N 3.36Å; S131-N133 PolarHBondContact O-N 3.13Å
132	K	45.4	Very low	62.2	Low	190 Å²	190	64.3 Å²	64.3	83%	0.826	35%	0.351	S	S	*	.	S	Bend	trans	-71.3	12.3	-174.3	-66.3	179.8	179.3	176.7	0	114.4
133	N	46.7	Very low	63.5	Low	65 Å²	65	66.9 Å²	66.9	35%	0.348	36%	0.363	S	S	.	.			trans	-113.5	66.7	-175.1	-70.9	-20.9	0	0	0	111	S131 F135	S131-N133 PolarHBondContact O-N 3.13Å; N133-F135 VanDerWaalsContact C-N 3.31Å; N133-F135 PolarHBondContact O-N 3.33Å
134	K	54.6	Low	64.9	Low	97 Å²	97	66.9 Å²	66.9	42%	0.422	36%	0.364	S	S	.	.			trans	-75.7	-7.3	-166.9	-127.7	-171.5	173.2	170	0	115.8	C124	C124-K134 CarbonylContact C-O 3.01Å; C124-K134 WeakPolarHBondContact CA-O 3.22Å; C124-K134 VanDerWaalsContact O-CG 3.28Å; C124-K134 WeakPolarHBondContact O-CG 3.26Å
135	F	58.3	Low	66.8	Low	23 Å²	23	70.6 Å²	70.6	10%	0.101	39%	0.39	C	S	.	.			trans	-145.3	107.9	-178.5	-47	-100.5	0	0	0	110.3	M33 I36 C124 N133 C138 Q153	M33-F135 HydrophobicContact CE-CD1 3.61Å; M33-F135 HydrophobicContact CE-CE1 3.08Å; M33-F135 HydrophobicContact CE-CZ 3.71Å; M33-F135 HydrophobicContact CG-CZ 4.41Å; I36-F135 HydrophobicContact CD1-CB 4.15Å; I36-F135 HydrophobicContact CD1-CD1 3.95Å; I36-F135 HydrophobicContact CD1-CD2 3.83Å; I36-F135 HydrophobicContact CD1-CE1 4.31Å; I36-F135 HydrophobicContact CD1-CE2 4.24Å; I36-F135 HydrophobicContact CD1-CG 3.73Å; C124-F135 VanDerWaalsContact CA-CE1 3.48Å; C124-F135 HydrophobicContact CB-CD1 3.35Å; C124-F135 HydrophobicContact CB-CE1 3.02Å; C124-F135 HydrophobicContact CB-CZ 4.01Å; C124-F135 WeakPolarHBondContact SG-CD1 3.46Å; C124-F135 WeakPolarHBondContact SG-CE1 3.33Å; N133-F135 VanDerWaalsContact C-N 3.31Å; N133-F135 PolarHBondContact O-N 3.33Å; F135-C138 WeakPolarHBondContact CB-SG 3.43Å; F135-Q153 WeakPolarHBondContact O-CB 3.33Å; F135-Q153 PolarHBondContact O-OE1 2.72Å
136	V	81.2	Confident	68.9	Low	11 Å²	11	70.9 Å²	70.9	7%	0.067	39%	0.387	C	S	.	.	S	Bend	trans	-83.4	-36.3	179.1	-176.5	0	0	0	0	111.5	L70 Y127 Q153 T154	L70-V136 HydrophobicContact CD2-CB 4.26Å; L70-V136 HydrophobicContact CD2-CG1 3.7Å; L70-V136 HydrophobicContact CD2-CG2 4.17Å; Y127-V136 HydrophobicContact CE2-CG2 3.71Å; V136-Q153 WeakPolarHBondContact O-CA 3.4Å; V136-Q153 WeakPolarHBondContact O-CB 3.46Å; V136-Q153 PolarHBondContact O-N 3.19Å; V136-T154 HydrophobicContact CG1-CG2 3.82Å
137	F	88.9	Confident	71.4	Confident	3 Å²	3	65.8 Å²	65.8	1%	0.013	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	123.4	-178.2	-53.8	-64.9	0	0	0	111.3	Y47 Y63 L66 N67 L70 I150 L151 H152 L162	Y47-F137 HydrophobicContact CE2-CD1 4.09Å; Y47-F137 AromaticContact CE2-CE1 3.97Å; Y47-F137 HydrophobicContact CE2-CE1 3.97Å; Y63-F137 HydrophobicContact CD1-CB 3.87Å; Y63-F137 HydrophobicContact CE1-CB 3.84Å; L66-F137 HydrophobicContact CB-CD2 3.95Å; L66-F137 HydrophobicContact CB-CE1 4.24Å; L66-F137 HydrophobicContact CB-CE2 3.63Å; L66-F137 HydrophobicContact CB-CG 4.4Å; L66-F137 HydrophobicContact CB-CZ 3.8Å; L66-F137 HydrophobicContact CD1-CD1 3.88Å; L66-F137 HydrophobicContact CD1-CD2 4.42Å; L66-F137 HydrophobicContact CD1-CE1 4.12Å; L66-F137 HydrophobicContact CD1-CG 4.05Å; N67-F137 VanDerWaalsContact OD1-CD2 3.22Å; N67-F137 WeakPolarHBondContact OD1-CD2 3.42Å; N67-F137 VanDerWaalsContact OD1-CE2 3.29Å; N67-F137 WeakPolarHBondContact OD1-CE2 3.33Å; L70-F137 HydrophobicContact CD2-CE2 3.98Å; L70-F137 HydrophobicContact CD2-CZ 4.12Å; F137-I150 HydrophobicContact CB-CG2 3.77Å; F137-L151 WeakPolarHBondContact CA-O 3.49Å; F137-H152 AromaticContact CE1-ND1 3.61Å; F137-L162 HydrophobicContact CE1-CD2 3.76Å; F137-L162 HydrophobicContact CE2-CD2 4.46Å; F137-L162 HydrophobicContact CZ-CD2 3.35Å
138	C	87.9	Confident	73.9	Confident	10 Å²	10	62.2 Å²	62.2	7%	0.068	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.7	-178.1	-68.9	0	0	0	0	112.1	I36 F135 V140 I150 L151 Q153	I36-C138 VanDerWaalsContact CD1-SG 3.52Å; I36-C138 HydrophobicContact CG2-CB 3.84Å; F135-C138 WeakPolarHBondContact CB-SG 3.43Å; C138-V140 PolarHBondContact O-N 3.42Å; C138-I150 CarbonylContact O-C 3.46Å; C138-I150 WeakPolarHBondContact O-CA 3.46Å; C138-L151 HydrophobicContact CB-CB 4.31Å; C138-L151 PolarHBondContact N-O 2.9Å; C138-L151 WeakPolarHBondContact O-CB 2.99Å; C138-L151 PolarHBondContact O-N 2.89Å; C138-Q153 PolarHBondContact SG-OE1 3.44Å
139	S	90.5	Very high	76.6	Confident	42 Å²	42	57.4 Å²	57.4	29%	0.294	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.3	171.5	64.1	0	0	0	0	111.1	Y63 F149	Y63-S139 VanDerWaalsContact OH-CB 3.27Å; Y63-S139 WeakPolarHBondContact OH-CB 3.44Å; Y63-S139 PolarHBondContact OH-N 2.95Å; S139-F149 WeakPolarHBondContact CA-O 3.16Å
140	V	91.6	Very high	79.2	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.03	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141	178.3	-179.6	0	0	0	0	109.5	N39 L40 M44 C138 T142 F149 L151	N39-V140 WeakPolarHBondContact O-CG1 3.26Å; L40-V140 HydrophobicContact CB-CG1 4.29Å; M44-V140 HydrophobicContact CE-CG1 4.35Å; M44-V140 HydrophobicContact SD-CG1 4.36Å; C138-V140 PolarHBondContact O-N 3.42Å; V140-T142 PolarHBondContact O-N 2.76Å; V140-F149 HydrophobicContact CB-CD1 4.24Å; V140-F149 HydrophobicContact CG2-CD1 4.46Å; V140-F149 PolarHBondContact N-O 2.89Å; V140-L151 HydrophobicContact CG2-CB 3.94Å
141	K	92	Very high	81.9	Confident	123 Å²	123	45 Å²	45	54%	0.535	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-71.1	120.5	-177.5	-166.6	174.3	-176.3	-177.3	0	111.6	K38 N39 L40 H143	K38-K141 WeakPolarHBondContact O-CB 3.18Å; K38-K141 PolarHBondContact O-N 3.4Å; K38-K141 VanDerWaalsContact O-N 3.11Å; N39-K141 WeakPolarHBondContact CA-O 3.32Å; L40-K141 PolarHBondContact N-O 3.43Å; K141-H143 VanDerWaalsContact CD-CE1 3.47Å; K141-H143 WeakPolarHBondContact CD-CE1 3.38Å; K141-H143 WeakPolarHBondContact CE-CE1 3.37Å; K141-H143 VanDerWaalsContact CE-ND1 3.31Å; K141-H143 WeakPolarHBondContact CE-ND1 3.42Å
142	T	93.2	Very high	84.3	Confident	9 Å²	9	42.9 Å²	42.9	6%	0.055	22%	0.218	C	C	.	.			trans	-94.3	-20.7	177.4	61.7	0	0	0	0	113.6	L40 V140 V144 C147 F149 L312	L40-T142 HydrophobicContact CD2-CG2 4.45Å; V140-T142 PolarHBondContact O-N 2.76Å; T142-V144 PolarHBondContact O-N 3.21Å; T142-V144 PolarHBondContact OG1-N 3.49Å; T142-C147 PolarHBondContact OG1-O 3.03Å; T142-F149 HydrophobicContact CG2-CB 3.57Å; T142-L312 HydrophobicContact CG2-CD1 4.09Å
143	H	91.5	Very high	86.3	Confident	116 Å²	116	35.2 Å²	35.2	54%	0.537	19%	0.185	S	C	.	.	S	Bend	trans	61.6	17.1	-169.4	-53	-87.2	0	0	0	114.7	N39 K141	N39-H143 PolarHBondContact OD1-NE2 3.32Å; K141-H143 VanDerWaalsContact CD-CE1 3.47Å; K141-H143 WeakPolarHBondContact CD-CE1 3.38Å; K141-H143 WeakPolarHBondContact CE-CE1 3.37Å; K141-H143 VanDerWaalsContact CE-ND1 3.31Å; K141-H143 WeakPolarHBondContact CE-ND1 3.42Å
144	V	92.8	Very high	88.2	Confident	18 Å²	18	32.4 Å²	32.4	11%	0.109	17%	0.171	C	C	.	.			trans	-113	128.7	176.7	178.3	0	0	0	0	109.1	T142 C147 R271 L312	T142-V144 PolarHBondContact O-N 3.21Å; T142-V144 PolarHBondContact OG1-N 3.49Å; V144-C147 HydrophobicContact CB-CB 4.24Å; V144-C147 HydrophobicContact CG1-CB 3.67Å; V144-R271 HydrophobicContact CB-CB 4.38Å; V144-R271 HydrophobicContact CG1-CB 3.49Å; V144-R271 VanDerWaalsContact CG1-CB 3.49Å; V144-R271 HydrophobicContact CG1-CG 3.97Å; V144-R271 HydrophobicContact CG2-CB 3.95Å; V144-L312 HydrophobicContact CG2-CB 4.33Å; V144-L312 HydrophobicContact CG2-CD2 4.21Å
145	S	92	Very high	89.8	Confident	98 Å²	98	32.8 Å²	32.8	69%	0.685	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	144.7	174.6	53.3	0	0	0	0	111	C147	S145-C147 PolarHBondContact O-N 3Å
146	N	94.6	Very high	91.3	Very high	67 Å²	67	34.1 Å²	34.1	36%	0.358	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	17.1	174.7	-57.1	-20.6	0	0	0	114.7	T50 Y51 N52	T50-N146 WeakPolarHBondContact CA-O 3.48Å; Y51-N146 PolarHBondContact N-O 3.4Å; Y51-N146 VanDerWaalsContact O-CB 3.28Å; Y51-N146 WeakPolarHBondContact O-CB 3.42Å; N52-N146 PolarHBondContact O-OD1 2.78Å
147	C	95	Very high	91.8	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.02	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	103.1	-177.6	-171.8	0	0	0	0	109.7	L49 T142 V144 S145	L49-C147 WeakPolarHBondContact O-CA 3.27Å; T142-C147 PolarHBondContact OG1-O 3.03Å; V144-C147 HydrophobicContact CB-CB 4.24Å; V144-C147 HydrophobicContact CG1-CB 3.67Å; S145-C147 PolarHBondContact O-N 3Å
148	S	95.4	Very high	92.1	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.028	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	160.8	-177.6	-76.2	0	0	0	0	111.4	L49 Y51 Q55 H59	L49-S148 PolarHBondContact N-O 2.94Å; L49-S148 PolarHBondContact O-N 3.02Å; Y51-S148 PolarHBondContact OH-OG 3.25Å; Q55-S148 PolarHBondContact NE2-OG 2.8Å; H59-S148 VanDerWaalsContact NE2-CB 3.3Å; H59-S148 WeakPolarHBondContact NE2-CB 3.2Å; H59-S148 PolarHBondContact NE2-OG 3.32Å; H59-S148 VanDerWaalsContact NE2-OG 3.14Å
149	F	96.5	Very high	92.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.5	176.4	-172	-88.6	0	0	0	109.4	L40 M44 Y47 I48 S139 V140 T142 L151 V187 T190	L40-F149 HydrophobicContact CD1-CB 4.23Å; L40-F149 HydrophobicContact CD1-CD1 3.76Å; L40-F149 HydrophobicContact CD1-CD2 3.83Å; L40-F149 HydrophobicContact CD1-CE1 3.98Å; L40-F149 HydrophobicContact CD1-CE2 4.05Å; L40-F149 HydrophobicContact CD1-CG 3.67Å; L40-F149 HydrophobicContact CD1-CZ 4.12Å; M44-F149 HydrophobicContact CB-CE1 4.12Å; M44-F149 HydrophobicContact CB-CZ 4.1Å; M44-F149 HydrophobicContact SD-CE1 4.31Å; Y47-F149 CarbonylContact O-C 3.54Å; Y47-F149 VanDerWaalsContact O-CA 3.27Å; Y47-F149 WeakPolarHBondContact O-CA 3.08Å; I48-F149 HydrophobicContact CG1-CD2 4.18Å; S139-F149 WeakPolarHBondContact CA-O 3.16Å; V140-F149 HydrophobicContact CB-CD1 4.24Å; V140-F149 HydrophobicContact CG2-CD1 4.46Å; V140-F149 PolarHBondContact N-O 2.89Å; T142-F149 HydrophobicContact CG2-CB 3.57Å; F149-L151 HydrophobicContact CE1-CB 4.41Å; F149-L151 HydrophobicContact CE1-CD1 4.25Å; F149-V187 HydrophobicContact CE2-CB 3.92Å; F149-V187 HydrophobicContact CE2-CG1 4.03Å; F149-V187 HydrophobicContact CE2-CG2 3.98Å; F149-T190 HydrophobicContact CE2-CG2 4.23Å; F149-T190 HydrophobicContact CZ-CG2 4.39Å
150	I	95	Very high	92.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.4	171.9	-54.4	-56.9	0	0	0	107.8	G46 Y47 L49 T62 Y63 L66 F137 C138	G46-I150 CarbonylContact C-O 3.57Å; G46-I150 WeakPolarHBondContact CA-O 3.3Å; Y47-I150 HydrophobicContact CD2-CB 4.3Å; Y47-I150 HydrophobicContact CD2-CG2 4.43Å; Y47-I150 PolarHBondContact N-O 3.3Å; Y47-I150 PolarHBondContact O-N 3.5Å; L49-I150 HydrophobicContact CD2-CD1 3.91Å; L49-I150 HydrophobicContact CD2-CG1 3.66Å; T62-I150 HydrophobicContact CG2-CG1 4.18Å; Y63-I150 HydrophobicContact CD1-CG2 4.49Å; Y63-I150 HydrophobicContact CE1-CD1 4.09Å; Y63-I150 HydrophobicContact CE1-CG2 3.87Å; L66-I150 HydrophobicContact CD1-CG2 4.43Å; F137-I150 HydrophobicContact CB-CG2 3.77Å; C138-I150 CarbonylContact O-C 3.46Å; C138-I150 WeakPolarHBondContact O-CA 3.46Å
151	L	94.4	Very high	93.1	Very high	14 Å²	14	35.8 Å²	35.8	7%	0.073	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.7	175.9	-173.1	69.3	0	0	0	110	P37 M44 F137 C138 V140 F149 Q153	P37-L151 HydrophobicContact CG-CD2 4.19Å; M44-L151 HydrophobicContact CB-CD1 3.86Å; M44-L151 HydrophobicContact CG-CD1 3.94Å; M44-L151 HydrophobicContact SD-CD1 4.15Å; F137-L151 WeakPolarHBondContact CA-O 3.49Å; C138-L151 HydrophobicContact CB-CB 4.31Å; C138-L151 PolarHBondContact N-O 2.9Å; C138-L151 WeakPolarHBondContact O-CB 2.99Å; C138-L151 PolarHBondContact O-N 2.89Å; V140-L151 HydrophobicContact CG2-CB 3.94Å; F149-L151 HydrophobicContact CE1-CB 4.41Å; F149-L151 HydrophobicContact CE1-CD1 4.25Å; L151-Q153 VanDerWaalsContact CD2-CD 3.47Å; L151-Q153 HydrophobicContact CD2-CG 3.7Å; L151-Q153 HydrophobicContact CG-CG 3.73Å
152	H	93.4	Very high	93.3	Very high	3 Å²	3	30 Å²	30	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.5	175.7	179.9	96.5	0	0	0	109.8	T45 Y47 F137 T154 L157 A159 V248	T45-H152 PolarHBondContact O-N 3.25Å; Y47-H152 HydrophobicContact CE2-CB 3.97Å; Y47-H152 AromaticContact CE2-ND1 3.67Å; Y47-H152 AromaticContact CZ-ND1 3.73Å; Y47-H152 PolarHBondContact OH-ND1 3.47Å; F137-H152 AromaticContact CE1-ND1 3.61Å; H152-T154 WeakPolarHBondContact CE1-CG2 3.12Å; H152-T154 WeakPolarHBondContact NE2-CG2 3.32Å; H152-L157 PolarHBondContact NE2-O 2.89Å; H152-A159 HydrophobicContact CB-CB 3.98Å; H152-V248 WeakPolarHBondContact O-CG2 3.41Å
153	Q	87.7	Confident	93.5	Very high	29 Å²	29	29.5 Å²	29.5	14%	0.136	16%	0.156	C	C	.	.			trans	-131.1	37	-172.7	-56.5	-174.8	-83.2	0	0	111.9	F135 V136 C138 L151 I246	F135-Q153 WeakPolarHBondContact O-CB 3.33Å; F135-Q153 PolarHBondContact O-OE1 2.72Å; V136-Q153 WeakPolarHBondContact O-CA 3.4Å; V136-Q153 WeakPolarHBondContact O-CB 3.46Å; V136-Q153 PolarHBondContact O-N 3.19Å; C138-Q153 PolarHBondContact SG-OE1 3.44Å; L151-Q153 VanDerWaalsContact CD2-CD 3.47Å; L151-Q153 HydrophobicContact CD2-CG 3.7Å; L151-Q153 HydrophobicContact CG-CG 3.73Å; Q153-I246 HydrophobicContact CB-CD1 4.15Å
154	T	85.9	Confident	93.8	Very high	6 Å²	6	25 Å²	25	4%	0.037	14%	0.136	C	C	.	.			trans	-109.7	144.2	169.1	176.7	0	0	0	0	111.4	L70 V136 H152 L156 L157	L70-T154 HydrophobicContact CD1-CG2 4.2Å; V136-T154 HydrophobicContact CG1-CG2 3.82Å; H152-T154 WeakPolarHBondContact CE1-CG2 3.12Å; H152-T154 WeakPolarHBondContact NE2-CG2 3.32Å; T154-L156 WeakPolarHBondContact OG1-CB 3.29Å; T154-L156 WeakPolarHBondContact OG1-CG 3.31Å; T154-L156 PolarHBondContact OG1-N 3.15Å; T154-L157 HydrophobicContact CG2-CD2 4.34Å
155	H	88.4	Confident	94	Very high	105 Å²	105	27.8 Å²	27.8	49%	0.486	14%	0.144	S	C	.	.	S	Bend	trans	-89.7	-6.7	173.7	65.5	-81.2	0	0	0	112.5	P249	H155-P249 WeakPolarHBondContact O-CG 3.25Å
156	L	88.5	Confident	94.2	Very high	50 Å²	50	23.1 Å²	23.1	26%	0.262	11%	0.112	S	C	.	.	S	Bend	trans	-72.5	-35.3	-172.4	-66.8	178.4	0	0	0	113.2	L70 K77 T154	L70-L156 HydrophobicContact CD1-CD1 3.98Å; K77-L156 PolarHBondContact NZ-O 2.85Å; T154-L156 WeakPolarHBondContact OG1-CB 3.29Å; T154-L156 WeakPolarHBondContact OG1-CG 3.31Å; T154-L156 PolarHBondContact OG1-N 3.15Å
157	L	92.7	Very high	94.3	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.095	C	C	.	.	S	Bend	trans	-159.6	163.4	-178	65.2	166.3	0	0	0	111.6	L70 I73 H152 T154 E161 L162	L70-L157 HydrophobicContact CD1-CD2 3.69Å; I73-L157 HydrophobicContact CD1-CD1 3.63Å; H152-L157 PolarHBondContact NE2-O 2.89Å; T154-L157 HydrophobicContact CG2-CD2 4.34Å; L157-E161 HydrophobicContact CB-CB 4.38Å; L157-E161 HydrophobicContact CB-CG 4.38Å; L157-E161 HydrophobicContact CD1-CB 4.14Å; L157-E161 HydrophobicContact CD1-CG 4Å; L157-L162 VanDerWaalsContact CD1-CA 3.47Å; L157-L162 HydrophobicContact CD1-CB 3.52Å; L157-L162 HydrophobicContact CD1-CD1 3.95Å; L157-L162 HydrophobicContact CD1-CG 4.31Å; L157-L162 HydrophobicContact CD2-CD1 4.46Å; L157-L162 HydrophobicContact CG-CB 3.98Å
158	S	95.1	Very high	94.3	Very high	5 Å²	5	23.7 Å²	23.7	4%	0.035	11%	0.112	C	C	.	.			trans	-69.9	154.8	174.8	74.6	0	0	0	0	111.3	A160 E161 L162 P249	S158-A160 PolarHBondContact O-N 2.74Å; S158-E161 PolarHBondContact O-N 2.76Å; S158-E161 VanDerWaalsContact OG-CB 3.3Å; S158-E161 WeakPolarHBondContact OG-CB 3.36Å; S158-E161 PolarHBondContact OG-N 3.28Å; S158-E161 VanDerWaalsContact OG-N 3.16Å; S158-L162 PolarHBondContact O-N 2.93Å; S158-L162 VanDerWaalsContact O-N 3.12Å; S158-P249 WeakPolarHBondContact CA-O 3.41Å; S158-P249 WeakPolarHBondContact CB-O 3.12Å
159	A	96.8	Very high	94.3	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-58.7	-36	177.3	0	0	0	0	0	112.3	T45 Y47 H152 C163	T45-A159 HydrophobicContact CG2-CB 3.79Å; Y47-A159 HydrophobicContact CE1-CB 4.21Å; Y47-A159 WeakPolarHBondContact CE1-O 3.37Å; Y47-A159 HydrophobicContact CE2-CB 4.43Å; Y47-A159 WeakPolarHBondContact OH-CA 3.5Å; Y47-A159 PolarHBondContact OH-O 3.18Å; Y47-A159 VanDerWaalsContact OH-O 3.08Å; H152-A159 HydrophobicContact CB-CB 3.98Å; A159-C163 WeakPolarHBondContact O-CB 3.23Å; A159-C163 PolarHBondContact O-N 3.08Å
160	A	97.6	Very high	94.2	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-68.1	-43.4	178.1	0	0	0	0	0	112.7	S158 L162 C163 N164 P186 Q251	S158-A160 PolarHBondContact O-N 2.74Å; A160-L162 PolarHBondContact O-N 2.83Å; A160-C163 WeakPolarHBondContact O-CB 3.26Å; A160-C163 PolarHBondContact O-N 2.93Å; A160-N164 VanDerWaalsContact O-CG 3.24Å; A160-N164 PolarHBondContact O-N 3.5Å; A160-P186 VanDerWaalsContact CA-CB 3.46Å; A160-P186 HydrophobicContact CB-CB 3.95Å; A160-P186 HydrophobicContact CB-CG 4.03Å; A160-Q251 HydrophobicContact CB-CB 4.1Å; A160-Q251 HydrophobicContact CB-CG 3.67Å; A160-Q251 VanDerWaalsContact CB-OE1 3.23Å
161	E	96.6	Very high	94.2	Very high	96 Å²	96	27 Å²	27	45%	0.449	13%	0.128	S	C	.	.	H	α-helix	trans	-61.7	-44.7	177.1	-173.1	176.7	179.1	0	0	111.4	L157 S158 C163 N164 R165	L157-E161 HydrophobicContact CB-CB 4.38Å; L157-E161 HydrophobicContact CB-CG 4.38Å; L157-E161 HydrophobicContact CD1-CB 4.14Å; L157-E161 HydrophobicContact CD1-CG 4Å; S158-E161 PolarHBondContact O-N 2.76Å; S158-E161 VanDerWaalsContact OG-CB 3.3Å; S158-E161 WeakPolarHBondContact OG-CB 3.36Å; S158-E161 PolarHBondContact OG-N 3.28Å; S158-E161 VanDerWaalsContact OG-N 3.16Å; E161-C163 VanDerWaalsContact C-N 3.32Å; E161-C163 PolarHBondContact O-N 3.41Å; E161-N164 PolarHBondContact O-N 3.03Å; E161-R165 WeakPolarHBondContact O-CG 3.31Å; E161-R165 PolarHBondContact O-N 3.49Å
162	L	96.6	Very high	94.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-41.2	177	-175.1	62.8	0	0	0	111.2	Y47 L66 T69 L70 I73 F137 L157 S158 A160 R165 V166	Y47-L162 WeakPolarHBondContact OH-CB 3.28Å; Y47-L162 WeakPolarHBondContact OH-CD2 3.41Å; L66-L162 HydrophobicContact CB-CD2 4.48Å; L66-L162 HydrophobicContact CD2-CD2 4.02Å; L66-L162 HydrophobicContact CD2-CG 4.27Å; T69-L162 HydrophobicContact CG2-CD1 3.64Å; L70-L162 HydrophobicContact CB-CD1 4.4Å; I73-L162 HydrophobicContact CD1-CD1 3.96Å; F137-L162 HydrophobicContact CE1-CD2 3.76Å; F137-L162 HydrophobicContact CE2-CD2 4.46Å; F137-L162 HydrophobicContact CZ-CD2 3.35Å; L157-L162 VanDerWaalsContact CD1-CA 3.47Å; L157-L162 HydrophobicContact CD1-CB 3.52Å; L157-L162 HydrophobicContact CD1-CD1 3.95Å; L157-L162 HydrophobicContact CD1-CG 4.31Å; L157-L162 HydrophobicContact CD2-CD1 4.46Å; L157-L162 HydrophobicContact CG-CB 3.98Å; S158-L162 PolarHBondContact O-N 2.93Å; S158-L162 VanDerWaalsContact O-N 3.12Å; A160-L162 PolarHBondContact O-N 2.83Å; L162-R165 PolarHBondContact O-N 2.9Å; L162-V166 WeakPolarHBondContact O-CG2 3.05Å; L162-V166 PolarHBondContact O-N 3.01Å
163	C	97.6	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.4	-45.9	176.6	-156.4	0	0	0	0	111.6	Y47 A159 A160 E161 R165 V166 F167 P186	Y47-C163 HydrophobicContact CD1-CB 4.49Å; Y47-C163 HydrophobicContact CE1-CB 3.95Å; A159-C163 WeakPolarHBondContact O-CB 3.23Å; A159-C163 PolarHBondContact O-N 3.08Å; A160-C163 WeakPolarHBondContact O-CB 3.26Å; A160-C163 PolarHBondContact O-N 2.93Å; E161-C163 VanDerWaalsContact C-N 3.32Å; E161-C163 PolarHBondContact O-N 3.41Å; C163-R165 VanDerWaalsContact C-N 3.31Å; C163-R165 PolarHBondContact O-N 3.38Å; C163-V166 WeakPolarHBondContact O-CB 3.48Å; C163-V166 PolarHBondContact O-N 2.87Å; C163-V166 VanDerWaalsContact O-N 3.16Å; C163-F167 WeakPolarHBondContact O-CD2 3.44Å; C163-F167 PolarHBondContact O-N 3.26Å; C163-P186 HydrophobicContact CB-CB 4.01Å; C163-P186 HydrophobicContact CB-CG 4.03Å
164	N	97.2	Very high	94.1	Very high	21 Å²	21	37 Å²	37	11%	0.112	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-42.1	179.7	-70.6	-13	0	0	0	111.1	A160 E161 V166 F167 E168 Y327 Y330	A160-N164 VanDerWaalsContact O-CG 3.24Å; A160-N164 PolarHBondContact O-N 3.5Å; E161-N164 PolarHBondContact O-N 3.03Å; N164-V166 VanDerWaalsContact C-N 3.35Å; N164-V166 PolarHBondContact O-N 2.7Å; N164-F167 PolarHBondContact O-N 3.17Å; N164-E168 WeakPolarHBondContact O-CB 3.21Å; N164-E168 VanDerWaalsContact O-CG 3.31Å; N164-E168 WeakPolarHBondContact O-CG 3.17Å; N164-E168 PolarHBondContact O-N 3.32Å; N164-Y327 HydrophobicContact CB-CE2 4.39Å; N164-Y330 PolarHBondContact OD1-OH 3.41Å
165	R	96.3	Very high	94.2	Very high	77 Å²	77	41.2 Å²	41.2	29%	0.291	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-39.7	174.4	-70.7	-71.2	-144.6	112.6	3.6	112.6	T69 I73 E76 E161 L162 C163 E168 R169	T69-R165 HydrophobicContact CG2-CB 3.47Å; T69-R165 VanDerWaalsContact CG2-CB 3.47Å; I73-R165 HydrophobicContact CD1-CB 4.21Å; I73-R165 HydrophobicContact CD1-CG 3.97Å; E76-R165 IonicContact OE1-NH1 3.94Å; E76-R165 PolarHBondContact OE1-NH1 3.41Å; E76-R165 IonicContact OE1-NH2 3.99Å; E76-R165 IonicContact OE2-CZ 3.6Å; E76-R165 IonicContact OE2-NH1 2.88Å; E76-R165 PolarHBondContact OE2-NH1 3.27Å; E76-R165 IonicContact OE2-NH2 2.78Å; E76-R165 PolarHBondContact OE2-NH2 2.97Å; E161-R165 WeakPolarHBondContact O-CG 3.31Å; E161-R165 PolarHBondContact O-N 3.49Å; L162-R165 PolarHBondContact O-N 2.9Å; C163-R165 VanDerWaalsContact C-N 3.31Å; C163-R165 PolarHBondContact O-N 3.38Å; R165-E168 PolarHBondContact O-N 2.81Å; R165-R169 PolarHBondContact O-N 3.44Å
166	V	96.8	Very high	94.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.7	-53.9	171.3	170.9	0	0	0	0	109.6	L65 L66 T69 L162 C163 N164 E168 R169 L170	L65-V166 HydrophobicContact CB-CG1 4.27Å; L65-V166 HydrophobicContact CD2-CG1 4.31Å; L66-V166 HydrophobicContact CD2-CG2 4.39Å; T69-V166 HydrophobicContact CG2-CG2 4.17Å; T69-V166 VanDerWaalsContact OG1-CG2 3.3Å; T69-V166 WeakPolarHBondContact OG1-CG2 3.39Å; L162-V166 WeakPolarHBondContact O-CG2 3.05Å; L162-V166 PolarHBondContact O-N 3.01Å; C163-V166 WeakPolarHBondContact O-CB 3.48Å; C163-V166 PolarHBondContact O-N 2.87Å; C163-V166 VanDerWaalsContact O-N 3.16Å; N164-V166 VanDerWaalsContact C-N 3.35Å; N164-V166 PolarHBondContact O-N 2.7Å; V166-E168 VanDerWaalsContact C-N 3.33Å; V166-E168 PolarHBondContact O-N 3.18Å; V166-R169 PolarHBondContact O-N 3.14Å; V166-L170 HydrophobicContact CG1-CD1 4.13Å; V166-L170 HydrophobicContact CG1-CG 4.35Å; V166-L170 WeakPolarHBondContact O-CG 3.46Å; V166-L170 PolarHBondContact O-N 2.94Å
167	F	97.2	Very high	93.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-32.8	-177.8	-83.6	-89.1	0	0	0	113.6	C163 N164 L170 L171 L184 Y327 Y330 V332 V335	C163-F167 WeakPolarHBondContact O-CD2 3.44Å; C163-F167 PolarHBondContact O-N 3.26Å; N164-F167 PolarHBondContact O-N 3.17Å; F167-L170 PolarHBondContact O-N 3.34Å; F167-L171 WeakPolarHBondContact O-CB 3.29Å; F167-L171 VanDerWaalsContact O-CG 3.31Å; F167-L171 WeakPolarHBondContact O-CG 3.39Å; F167-L171 PolarHBondContact O-N 3.04Å; F167-L184 HydrophobicContact CE2-CB 4.35Å; F167-L184 WeakPolarHBondContact CE2-O 3.3Å; F167-Y327 HydrophobicContact CB-CD1 3.51Å; F167-Y327 HydrophobicContact CB-CD2 4.17Å; F167-Y327 HydrophobicContact CB-CE1 3.6Å; F167-Y327 HydrophobicContact CB-CE2 4.25Å; F167-Y327 HydrophobicContact CB-CG 3.82Å; F167-Y327 HydrophobicContact CD1-CD1 4.18Å; F167-Y327 HydrophobicContact CD1-CG 4.01Å; F167-Y327 HydrophobicContact CG-CD1 4.11Å; F167-Y327 HydrophobicContact CG-CD2 4.35Å; F167-Y327 AromaticContact CG-CG 3.97Å; F167-Y327 HydrophobicContact CG-CG 3.97Å; F167-Y330 HydrophobicContact CD2-CD1 4.03Å; F167-Y330 HydrophobicContact CD2-CE1 4.46Å; F167-Y330 AromaticContact CE2-CD1 3.65Å; F167-Y330 HydrophobicContact CE2-CD1 3.65Å; F167-Y330 HydrophobicContact CE2-CE1 4.48Å; F167-Y330 HydrophobicContact CE2-CG 4.35Å; F167-Y330 VanDerWaalsContact CZ-C 3.45Å; F167-Y330 HydrophobicContact CZ-CD1 4.12Å; F167-Y330 HydrophobicContact CZ-CG 4.38Å; F167-Y330 WeakPolarHBondContact CZ-O 3.44Å; F167-V332 HydrophobicContact CE1-CG2 4.34Å; F167-V332 HydrophobicContact CZ-CG2 3.82Å; F167-V335 HydrophobicContact CD1-CB 4.28Å; F167-V335 HydrophobicContact CD1-CG1 4.46Å; F167-V335 HydrophobicContact CD1-CG2 4.01Å; F167-V335 HydrophobicContact CE1-CB 4.39Å
168	E	95.5	Very high	93.7	Very high	81 Å²	81	37 Å²	37	38%	0.379	21%	0.205	S	C	.	.	H	α-helix	trans	-63.3	-42.9	172.6	-75.8	169.6	175.5	0	0	111.6	N164 R165 V166 L171 S172 Y327	N164-E168 WeakPolarHBondContact O-CB 3.21Å; N164-E168 VanDerWaalsContact O-CG 3.31Å; N164-E168 WeakPolarHBondContact O-CG 3.17Å; N164-E168 PolarHBondContact O-N 3.32Å; R165-E168 PolarHBondContact O-N 2.81Å; V166-E168 VanDerWaalsContact C-N 3.33Å; V166-E168 PolarHBondContact O-N 3.18Å; E168-L171 PolarHBondContact O-N 3.09Å; E168-S172 PolarHBondContact O-N 2.95Å; E168-S172 PolarHBondContact O-OG 3.44Å; E168-Y327 HydrophobicContact CG-CE1 4.41Å; E168-Y327 PolarHBondContact OE1-OH 3.44Å
169	R	94.6	Very high	93.5	Very high	19 Å²	19	46.7 Å²	46.7	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-46.2	174.1	-171.8	178.9	73.6	-147.9	-4.3	112.2	H68 T69 E72 R165 V166 L171 S172 T173 E177	H68-R169 PolarHBondContact CE1-NH1 2.91Å; H68-R169 PolarHBondContact ND1-NH1 2.56Å; H68-R169 PolarHBondContact ND1-NH2 3.23Å; H68-R169 VanDerWaalsContact ND1-NH2 3.17Å; T69-R169 PolarHBondContact OG1-NH1 3.22Å; E72-R169 WeakPolarHBondContact OE1-CD 3.3Å; E72-R169 IonicContact OE1-NH1 3.17Å; E72-R169 PolarHBondContact OE1-NH1 3.49Å; E72-R169 IonicContact OE2-CZ 3.95Å; E72-R169 IonicContact OE2-NH1 3.95Å; E72-R169 PolarHBondContact OE2-NH1 3.16Å; R165-R169 PolarHBondContact O-N 3.44Å; V166-R169 PolarHBondContact O-N 3.14Å; R169-L171 PolarHBondContact O-N 3.15Å; R169-S172 WeakPolarHBondContact CA-OG 3.31Å; R169-S172 PolarHBondContact O-N 3.36Å; R169-S172 VanDerWaalsContact O-N 3.08Å; R169-S172 PolarHBondContact O-OG 3.15Å; R169-T173 HydrophobicContact CG-CG2 4.04Å; R169-T173 WeakPolarHBondContact O-CG2 3.2Å; R169-T173 PolarHBondContact O-N 3.18Å; R169-T173 PolarHBondContact O-OG1 3.05Å; R169-T173 VanDerWaalsContact O-OG1 3.07Å; R169-E177 IonicContact CZ-OE1 3.32Å; R169-E177 IonicContact CZ-OE2 2.72Å; R169-E177 IonicContact NE-OE1 3.23Å; R169-E177 PolarHBondContact NE-OE1 3.42Å; R169-E177 IonicContact NE-OE2 3.15Å; R169-E177 IonicContact NH2-OE1 2.77Å; R169-E177 IonicContact NH2-OE2 3.98Å; R169-E177 PolarHBondContact NH2-OE2 3.38Å
170	L	94.7	Very high	93.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-36.7	178.3	-61.7	179.5	0	0	0	111.8	L65 V166 F167 S174 N175 A176 E177 V332 V335 C336	L65-L170 HydrophobicContact CD2-CD2 4.09Å; V166-L170 HydrophobicContact CG1-CD1 4.13Å; V166-L170 HydrophobicContact CG1-CG 4.35Å; V166-L170 WeakPolarHBondContact O-CG 3.46Å; V166-L170 PolarHBondContact O-N 2.94Å; F167-L170 PolarHBondContact O-N 3.34Å; L170-S174 WeakPolarHBondContact O-CA 3.34Å; L170-S174 PolarHBondContact O-N 3.44Å; L170-S174 VanDerWaalsContact O-N 3.09Å; L170-N175 WeakPolarHBondContact CD2-O 3.21Å; L170-N175 PolarHBondContact O-N 3.07Å; L170-A176 WeakPolarHBondContact CD2-O 3.49Å; L170-E177 HydrophobicContact CD2-CB 3.76Å; L170-E177 HydrophobicContact CD2-CG 3.82Å; L170-V332 HydrophobicContact CD1-CG1 3.9Å; L170-V335 HydrophobicContact CB-CG1 3.91Å; L170-V335 HydrophobicContact CD1-CG1 4.07Å; L170-C336 PolarHBondContact O-SG 2.63Å
171	L	93.8	Very high	93.1	Very high	56 Å²	56	49.7 Å²	49.7	29%	0.293	25%	0.252	S	S	.	.	H	α-helix	trans	-67.6	-43.8	173.4	-75.2	170.4	0	0	0	111.9	F167 E168 R169 S174 K326 Y327 V335	F167-L171 WeakPolarHBondContact O-CB 3.29Å; F167-L171 VanDerWaalsContact O-CG 3.31Å; F167-L171 WeakPolarHBondContact O-CG 3.39Å; F167-L171 PolarHBondContact O-N 3.04Å; E168-L171 PolarHBondContact O-N 3.09Å; R169-L171 PolarHBondContact O-N 3.15Å; L171-S174 PolarHBondContact O-N 3.43Å; L171-K326 HydrophobicContact CD1-CD 4.49Å; L171-K326 HydrophobicContact CD1-CG 4.15Å; L171-Y327 HydrophobicContact CD1-CD1 3.89Å; L171-Y327 HydrophobicContact CD1-CE1 3.87Å; L171-V335 HydrophobicContact CD1-CG2 4.44Å; L171-V335 HydrophobicContact CD2-CG2 3.55Å; L171-V335 HydrophobicContact CG-CG2 3.74Å
172	S	92.9	Very high	93	Very high	95 Å²	95	47.3 Å²	47.3	66%	0.664	24%	0.242	S	C	*	.	H	α-helix	trans	-69.5	-35.9	-178.9	65.6	0	0	0	0	113	E168 R169	E168-S172 PolarHBondContact O-N 2.95Å; E168-S172 PolarHBondContact O-OG 3.44Å; R169-S172 WeakPolarHBondContact CA-OG 3.31Å; R169-S172 PolarHBondContact O-N 3.36Å; R169-S172 VanDerWaalsContact O-N 3.08Å; R169-S172 PolarHBondContact O-OG 3.15Å
173	T	92.2	Very high	93	Very high	69 Å²	69	50.8 Å²	50.8	42%	0.423	26%	0.255	S	S	.	.	H	α-helix	trans	-83.1	-14.6	178.4	63.4	0	0	0	0	112.9	R169 N175	R169-T173 HydrophobicContact CG-CG2 4.04Å; R169-T173 WeakPolarHBondContact O-CG2 3.2Å; R169-T173 PolarHBondContact O-N 3.18Å; R169-T173 PolarHBondContact O-OG1 3.05Å; R169-T173 VanDerWaalsContact O-OG1 3.07Å; T173-N175 PolarHBondContact O-N 2.73Å; T173-N175 VanDerWaalsContact O-N 3.13Å; T173-N175 PolarHBondContact OG1-N 2.83Å; T173-N175 PolarHBondContact OG1-O 2.89Å
174	S	88.9	Confident	93	Very high	91 Å²	91	50.8 Å²	50.8	64%	0.636	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	28.4	-169.8	-62.2	0	0	0	0	113.2	L170 L171	L170-S174 WeakPolarHBondContact O-CA 3.34Å; L170-S174 PolarHBondContact O-N 3.44Å; L170-S174 VanDerWaalsContact O-N 3.09Å; L171-S174 PolarHBondContact O-N 3.43Å
175	N	88.5	Confident	93	Very high	94 Å²	94	50.3 Å²	50.3	50%	0.503	25%	0.252	S	S	.	.			trans	-126.3	123.1	179.6	-174.7	-17.8	0	0	0	108.9	L170 T173 E177	L170-N175 WeakPolarHBondContact CD2-O 3.21Å; L170-N175 PolarHBondContact O-N 3.07Å; T173-N175 PolarHBondContact O-N 2.73Å; T173-N175 VanDerWaalsContact O-N 3.13Å; T173-N175 PolarHBondContact OG1-N 2.83Å; T173-N175 PolarHBondContact OG1-O 2.89Å; N175-E177 PolarHBondContact O-N 3.29Å; N175-E177 PolarHBondContact OD1-N 3.3Å
176	A	85.2	Confident	93.1	Very high	19 Å²	19	46.7 Å²	46.7	16%	0.157	24%	0.239	C	C	.	.			trans	-67.1	-15.6	-178.6	0	0	0	0	0	113.2	L170 S178 V332 C336	L170-A176 WeakPolarHBondContact CD2-O 3.49Å; A176-S178 PolarHBondContact O-N 2.68Å; A176-V332 VanDerWaalsContact CB-O 3.31Å; A176-V332 WeakPolarHBondContact CB-O 3.28Å; A176-V332 VanDerWaalsContact O-CG1 3.31Å; A176-V332 WeakPolarHBondContact O-CG1 3.49Å; A176-C336 PolarHBondContact N-SG 3.39Å
177	E	85.8	Confident	93.2	Very high	40 Å²	40	46.7 Å²	46.7	19%	0.187	24%	0.239	C	C	.	.			trans	54.2	1.3	-179.1	-68.9	-179.8	-157.4	0	0	115.4	L65 H68 R169 L170 N175	L65-E177 HydrophobicContact CD2-CB 3.68Å; L65-E177 WeakPolarHBondContact CD2-OE2 3.26Å; H68-E177 IonicContact ND1-OE2 2.9Å; R169-E177 IonicContact CZ-OE1 3.32Å; R169-E177 IonicContact CZ-OE2 2.72Å; R169-E177 IonicContact NE-OE1 3.23Å; R169-E177 PolarHBondContact NE-OE1 3.42Å; R169-E177 IonicContact NE-OE2 3.15Å; R169-E177 IonicContact NH2-OE1 2.77Å; R169-E177 IonicContact NH2-OE2 3.98Å; R169-E177 PolarHBondContact NH2-OE2 3.38Å; L170-E177 HydrophobicContact CD2-CB 3.76Å; L170-E177 HydrophobicContact CD2-CG 3.82Å; N175-E177 PolarHBondContact O-N 3.29Å; N175-E177 PolarHBondContact OD1-N 3.3Å
178	S	88.4	Confident	93.2	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.063	25%	0.246	C	C	.	.			trans	-149	136.5	-172.8	151.5	0	0	0	0	110.7	E61 A176 V181	E61-S178 PolarHBondContact OE2-OG 2.75Å; A176-S178 PolarHBondContact O-N 2.68Å; S178-V181 WeakPolarHBondContact OG-CB 3.35Å; S178-V181 WeakPolarHBondContact OG-CG2 3.34Å; S178-V181 PolarHBondContact OG-N 2.74Å; S178-V181 VanDerWaalsContact OG-N 3.17Å
179	R	89.7	Confident	93.3	Very high	210 Å²	210	44.9 Å²	44.9	79%	0.792	23%	0.232	S	C	*	.	S	Bend	trans	-108.4	-20.3	175.8	-72.3	-176.9	-90.2	-177.9	-8.7	112.9	E61	E61-R179 PolarHBondContact OE1-N 3.02Å; E61-R179 PolarHBondContact OE2-N 3.44Å; E61-R179 VanDerWaalsContact OE2-N 3.11Å
180	Y	93.2	Very high	93.5	Very high	65 Å²	65	44 Å²	44	26%	0.255	23%	0.229	S	C	.	.	S	Bend	trans	-109	-25.4	-170.6	-53.9	-63.9	0	0	0	113	Y51 Q54 L57 E61 L182	Y51-Y180 WeakPolarHBondContact CA-O 3.37Å; Y51-Y180 WeakPolarHBondContact CB-O 3.27Å; Q54-Y180 HydrophobicContact CB-CD1 4.14Å; L57-Y180 HydrophobicContact CB-CD1 4.32Å; L57-Y180 HydrophobicContact CB-CD2 3.34Å; L57-Y180 HydrophobicContact CB-CE2 3.68Å; L57-Y180 HydrophobicContact CB-CG 3.69Å; L57-Y180 HydrophobicContact CD1-CD1 4.29Å; L57-Y180 HydrophobicContact CD1-CD2 4.15Å; L57-Y180 HydrophobicContact CD1-CE1 3.83Å; L57-Y180 HydrophobicContact CD1-CE2 3.68Å; L57-Y180 HydrophobicContact CD1-CG 4.43Å; L57-Y180 VanDerWaalsContact CD1-CZ 3.49Å; L57-Y180 HydrophobicContact CG-CD2 4.31Å; L57-Y180 HydrophobicContact CG-CE2 4.18Å; E61-Y180 HydrophobicContact CG-CD2 4.24Å; E61-Y180 WeakPolarHBondContact OE1-CD2 3.36Å; E61-Y180 WeakPolarHBondContact OE2-CA 3.41Å; E61-Y180 VanDerWaalsContact OE2-CB 3.28Å; E61-Y180 WeakPolarHBondContact OE2-CB 3.31Å; E61-Y180 WeakPolarHBondContact OE2-CD2 3.39Å; E61-Y180 PolarHBondContact OE2-N 3.5Å; Y180-L182 PolarHBondContact O-N 3.46Å
181	V	94.1	Very high	93.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	115.8	172.7	-169.6	0	0	0	0	109.4	A58 E61 T62 S178 L184 V332	A58-V181 HydrophobicContact CB-CG2 4.26Å; A58-V181 WeakPolarHBondContact O-CG2 3.36Å; E61-V181 HydrophobicContact CB-CG2 4.01Å; E61-V181 PolarHBondContact OE2-N 3.3Å; T62-V181 WeakPolarHBondContact OG1-CG2 3.49Å; S178-V181 WeakPolarHBondContact OG-CB 3.35Å; S178-V181 WeakPolarHBondContact OG-CG2 3.34Å; S178-V181 PolarHBondContact OG-N 2.74Å; S178-V181 VanDerWaalsContact OG-N 3.17Å; V181-L184 HydrophobicContact CG1-CB 4.25Å; V181-V332 HydrophobicContact CG1-CG2 4.08Å
182	L	94.1	Very high	93.7	Very high	47 Å²	47	48.9 Å²	48.9	25%	0.246	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-50.9	173.5	-64.3	176.8	0	0	0	110.9	T50 N52 Y180 N331 V332	T50-L182 WeakPolarHBondContact O-CA 3.38Å; T50-L182 WeakPolarHBondContact O-CB 3.28Å; T50-L182 PolarHBondContact O-N 3.03Å; N52-L182 WeakPolarHBondContact OD1-CD1 3.42Å; Y180-L182 PolarHBondContact O-N 3.46Å; L182-N331 CarbonylContact O-C 3.55Å; L182-N331 WeakPolarHBondContact O-CA 3.49Å; L182-N331 PolarHBondContact O-OD1 3.48Å; L182-V332 PolarHBondContact O-N 2.64Å; L182-V332 VanDerWaalsContact O-N 3.08Å
183	R	96	Very high	93.7	Very high	73 Å²	73	45 Å²	45	28%	0.275	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.1	177.4	-57.3	-175.6	179.8	80.5	7	110.9	L49 T50 Y330 N331	L49-R183 CarbonylContact C-O 3.6Å; L49-R183 VanDerWaalsContact CA-O 3.24Å; L49-R183 WeakPolarHBondContact CA-O 3.13Å; T50-R183 PolarHBondContact N-O 2.9Å; T50-R183 PolarHBondContact O-N 3.35Å; T50-R183 WeakPolarHBondContact OG1-CB 3.32Å; T50-R183 PolarHBondContact OG1-N 3.35Å; R183-Y330 WeakPolarHBondContact CA-O 3.17Å; R183-Y330 WeakPolarHBondContact CB-O 3.28Å; R183-N331 HydrophobicContact CG-CB 4.26Å
184	L	97.8	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	107.1	174.6	179.4	65.5	0	0	0	108	Y47 L49 T62 L66 F167 V181 Y330 V332	Y47-L184 HydrophobicContact CD1-CD1 4.2Å; Y47-L184 HydrophobicContact CG-CD1 4.21Å; L49-L184 HydrophobicContact CB-CD1 4.37Å; T62-L184 HydrophobicContact CG2-CD1 3.86Å; L66-L184 HydrophobicContact CD2-CD2 4.5Å; F167-L184 HydrophobicContact CE2-CB 4.35Å; F167-L184 WeakPolarHBondContact CE2-O 3.3Å; V181-L184 HydrophobicContact CG1-CB 4.25Å; L184-Y330 PolarHBondContact N-O 3.29Å; L184-Y330 VanDerWaalsContact N-O 3.14Å; L184-Y330 WeakPolarHBondContact O-CB 3.31Å; L184-Y330 WeakPolarHBondContact O-CD1 3.17Å; L184-V332 HydrophobicContact CB-CG2 3.9Å
185	M	98	Very high	94.2	Very high	11 Å²	11	41.5 Å²	41.5	5%	0.054	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.6	-175.4	-67.4	167.8	67	0	0	110.1	Y47 I48 L321 Y330	Y47-M185 CarbonylContact C-O 3.55Å; Y47-M185 VanDerWaalsContact CA-O 3.31Å; Y47-M185 WeakPolarHBondContact CA-O 3.28Å; I48-M185 PolarHBondContact N-O 3.11Å; I48-M185 PolarHBondContact O-N 3.44Å; M185-L321 HydrophobicContact CE-CD1 3.45Å; M185-L321 VanDerWaalsContact CE-CD1 3.45Å; M185-Y330 HydrophobicContact CG-CG 4.26Å
186	P	98.4	Very high	94.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	142	174.7	31.5	-33.5	0	0	0	110.5	G46 Y47 A160 C163 S319 L321 Y330	G46-P186 CarbonylContact O-C 3.53Å; Y47-P186 HydrophobicContact CD1-CB 4.49Å; Y47-P186 HydrophobicContact CE1-CB 4.49Å; A160-P186 VanDerWaalsContact CA-CB 3.46Å; A160-P186 HydrophobicContact CB-CB 3.95Å; A160-P186 HydrophobicContact CB-CG 4.03Å; C163-P186 HydrophobicContact CB-CB 4.01Å; C163-P186 HydrophobicContact CB-CG 4.03Å; P186-S319 WeakPolarHBondContact O-CB 3.3Å; P186-S319 PolarHBondContact O-OG 2.97Å; P186-L321 HydrophobicContact CG-CD2 3.74Å; P186-Y330 HydrophobicContact CG-CE1 4.32Å
187	V	98.4	Very high	95.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.9	173.9	174.6	0	0	0	0	107.2	T45 G46 I48 F149 D189 T190 C317 V318	T45-V187 VanDerWaalsContact CG2-O 3.25Å; T45-V187 WeakPolarHBondContact CG2-O 3.48Å; G46-V187 PolarHBondContact N-O 3.42Å; G46-V187 PolarHBondContact O-N 2.95Å; I48-V187 HydrophobicContact CB-CG2 4.32Å; I48-V187 HydrophobicContact CD1-CG2 3.66Å; I48-V187 HydrophobicContact CG1-CG2 3.66Å; F149-V187 HydrophobicContact CE2-CB 3.92Å; F149-V187 HydrophobicContact CE2-CG1 4.03Å; F149-V187 HydrophobicContact CE2-CG2 3.98Å; V187-D189 VanDerWaalsContact CG1-O 3.29Å; V187-D189 WeakPolarHBondContact CG1-O 3.22Å; V187-T190 HydrophobicContact CG1-CG2 3.73Å; V187-C317 HydrophobicContact CG1-CB 3.82Å; V187-C317 HydrophobicContact CG2-CB 3.95Å; V187-V318 CarbonylContact C-O 3.55Å; V187-V318 WeakPolarHBondContact CA-O 3.29Å
188	V	97.6	Very high	95.7	Very high	24 Å²	24	38.6 Å²	38.6	15%	0.145	18%	0.177	C	C	.	.			trans	-78.7	-35.7	-177.4	-65.2	0	0	0	0	112	T45 A205 Q251 V318 L320	T45-V188 PolarHBondContact OG1-O 2.87Å; V188-A205 HydrophobicContact CG2-CB 3.88Å; V188-Q251 HydrophobicContact CG1-CB 4.04Å; V188-V318 HydrophobicContact CG2-CB 4.42Å; V188-V318 HydrophobicContact CG2-CG1 4.22Å; V188-V318 VanDerWaalsContact CG2-O 3.26Å; V188-V318 WeakPolarHBondContact CG2-O 3.31Å; V188-V318 PolarHBondContact N-O 3.41Å; V188-L320 HydrophobicContact CG1-CB 4.46Å; V188-L320 HydrophobicContact CG1-CG 4.41Å; V188-L320 HydrophobicContact CG2-CD1 4.36Å; V188-L320 HydrophobicContact CG2-CG 4.02Å
189	D	97.4	Very high	96.1	Very high	18 Å²	18	41 Å²	41	10%	0.096	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	157.4	-179.1	-162.1	0.8	0	0	0	109.6	M44 V187 R204 V318	M44-D189 CarbonylContact O-C 3.55Å; V187-D189 VanDerWaalsContact CG1-O 3.29Å; V187-D189 WeakPolarHBondContact CG1-O 3.22Å; D189-R204 IonicContact OD1-NH2 3.94Å; D189-R204 IonicContact OD2-CZ 3.48Å; D189-R204 IonicContact OD2-NE 2.88Å; D189-R204 PolarHBondContact OD2-NE 2.9Å; D189-R204 VanDerWaalsContact OD2-NE 3.15Å; D189-R204 IonicContact OD2-NH2 3.06Å; D189-R204 PolarHBondContact OD2-NH2 3.45Å; D189-V318 PolarHBondContact O-N 3.3Å
190	T	97.6	Very high	96.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.8	176.4	50.3	0	0	0	0	109.7	L40 Q41 P42 G43 M44 F149 V187 V315 T316 C317	L40-T190 HydrophobicContact CD1-CG2 4.32Å; Q41-T190 PolarHBondContact O-OG1 3.33Å; P42-T190 CarbonylContact C-O 3.55Å; P42-T190 WeakPolarHBondContact CA-O 3.45Å; G43-T190 PolarHBondContact N-O 2.89Å; G43-T190 PolarHBondContact N-OG1 3.08Å; G43-T190 VanDerWaalsContact N-OG1 3.15Å; M44-T190 WeakPolarHBondContact CA-OG1 3.25Å; M44-T190 HydrophobicContact CB-CG2 4.4Å; M44-T190 WeakPolarHBondContact CB-OG1 3.37Å; M44-T190 PolarHBondContact N-OG1 3.15Å; M44-T190 WeakPolarHBondContact O-CG2 3.36Å; M44-T190 PolarHBondContact O-N 3.25Å; M44-T190 PolarHBondContact O-OG1 2.88Å; F149-T190 HydrophobicContact CE2-CG2 4.23Å; F149-T190 HydrophobicContact CZ-CG2 4.39Å; V187-T190 HydrophobicContact CG1-CG2 3.73Å; T190-V315 HydrophobicContact CG2-CG1 4.24Å; T190-T316 CarbonylContact C-O 3.51Å; T190-T316 VanDerWaalsContact CA-O 3.28Å; T190-T316 WeakPolarHBondContact CA-O 3.47Å; T190-C317 HydrophobicContact CG2-CB 4.27Å
191	C	97.1	Very high	96.7	Very high	7 Å²	7	30.7 Å²	30.7	5%	0.047	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	171.1	180	60.7	0	0	0	0	111.2	C201 V315 T316	C191-C201 HydrophobicContact CB-CB 3.7Å; C191-V315 CarbonylContact O-C 3.55Å; C191-V315 WeakPolarHBondContact O-CA 3.37Å; C191-V315 WeakPolarHBondContact O-CG1 3.37Å; C191-T316 PolarHBondContact N-O 3.24Å; C191-T316 PolarHBondContact O-N 3.2Å
192	R	96.1	Very high	96.9	Very high	152 Å²	152	30.7 Å²	30.7	57%	0.574	15%	0.152	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	148.4	171	-66.1	-172.1	-56.7	-132.8	-6.1	109.8	P42 D194 S197	P42-R192 HydrophobicContact CG-CG 3.62Å; R192-D194 WeakPolarHBondContact CB-OD2 3.4Å; R192-D194 IonicContact NE-OD2 3.77Å; R192-D194 PolarHBondContact NE-OD2 3.45Å; R192-D194 PolarHBondContact O-N 2.93Å; R192-S197 PolarHBondContact NH2-OG 3.35Å
193	S	94	Very high	97.1	Very high	12 Å²	12	29.7 Å²	29.7	8%	0.084	15%	0.147	C	C	.	.	S	Bend	trans	-78.8	57	177	-58.4	0	0	0	0	113.3	A275 I276 K314 V315 T316	S193-A275 WeakPolarHBondContact O-CB 3.38Å; S193-I276 VanDerWaalsContact C-CD1 3.46Å; S193-K314 PolarHBondContact N-O 2.92Å; S193-K314 PolarHBondContact OG-O 3.02Å; S193-V315 WeakPolarHBondContact OG-CA 3.4Å; S193-V315 PolarHBondContact OG-N 3.17Å; S193-V315 VanDerWaalsContact OG-N 3.13Å; S193-T316 WeakPolarHBondContact CA-OG1 3.28Å; S193-T316 WeakPolarHBondContact CB-OG1 3.43Å; S193-T316 PolarHBondContact OG-N 3.03Å; S193-T316 PolarHBondContact OG-OG1 3.21Å
194	D	94.4	Very high	97.1	Very high	49 Å²	49	31 Å²	31	26%	0.262	15%	0.153	S	C	.	.	S	Bend	trans	-126.2	154.9	167.9	61.7	83.5	0	0	0	110.5	R192 P196 S197 L198	R192-D194 WeakPolarHBondContact CB-OD2 3.4Å; R192-D194 IonicContact NE-OD2 3.77Å; R192-D194 PolarHBondContact NE-OD2 3.45Å; R192-D194 PolarHBondContact O-N 2.93Å; D194-P196 WeakPolarHBondContact OD1-CD 3.33Å; D194-S197 PolarHBondContact O-N 3.15Å; D194-S197 WeakPolarHBondContact OD1-CB 3.41Å; D194-S197 PolarHBondContact OD1-N 2.97Å; D194-S197 PolarHBondContact OD1-OG 2.7Å; D194-S197 PolarHBondContact OD2-OG 2.94Å; D194-L198 WeakPolarHBondContact O-CB 3.03Å; D194-L198 PolarHBondContact O-N 2.77Å
195	L	95.6	Very high	97.1	Very high	39 Å²	39	31.4 Å²	31.4	20%	0.204	16%	0.156	C	C	.	.	H	α-helix	trans	-61	-46.2	-174.6	-69.1	173.8	0	0	0	113.5	S197 L198 E199 I276 D280 R284	L195-S197 VanDerWaalsContact C-N 3.35Å; L195-S197 PolarHBondContact O-N 2.78Å; L195-L198 PolarHBondContact O-N 3.46Å; L195-E199 WeakPolarHBondContact O-CB 3.28Å; L195-E199 PolarHBondContact O-N 3.44Å; L195-I276 HydrophobicContact CD2-CG1 4.41Å; L195-I276 HydrophobicContact CD2-CG2 3.61Å; L195-D280 HydrophobicContact CD1-CB 3.97Å; L195-D280 HydrophobicContact CD2-CB 3.7Å; L195-D280 HydrophobicContact CG-CB 4.46Å; L195-R284 HydrophobicContact CB-CG 4.42Å; L195-R284 HydrophobicContact CD2-CG 3.97Å
196	P	96.5	Very high	97.1	Very high	72 Å²	72	31 Å²	31	47%	0.468	15%	0.153	S	C	.	.	H	α-helix	trans	-61.5	-40.4	177.6	-24	34.5	0	0	0	113.3	D194 E199 N200	D194-P196 WeakPolarHBondContact OD1-CD 3.33Å; P196-E199 PolarHBondContact O-N 2.96Å; P196-N200 PolarHBondContact O-N 3.04Å; P196-N200 VanDerWaalsContact O-N 3.13Å; P196-N200 PolarHBondContact O-ND2 2.99Å
197	S	97	Very high	97	Very high	19 Å²	19	31.2 Å²	31.2	13%	0.133	16%	0.155	C	C	.	.	H	α-helix	trans	-67.9	-39.1	178.7	-58.8	0	0	0	0	111.5	R192 D194 L195 C201	R192-S197 PolarHBondContact NH2-OG 3.35Å; D194-S197 PolarHBondContact O-N 3.15Å; D194-S197 WeakPolarHBondContact OD1-CB 3.41Å; D194-S197 PolarHBondContact OD1-N 2.97Å; D194-S197 PolarHBondContact OD1-OG 2.7Å; D194-S197 PolarHBondContact OD2-OG 2.94Å; L195-S197 VanDerWaalsContact C-N 3.35Å; L195-S197 PolarHBondContact O-N 2.78Å; S197-C201 WeakPolarHBondContact O-CB 3.49Å; S197-C201 PolarHBondContact O-N 2.91Å
198	L	97.4	Very high	96.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-50.3	173.8	170.9	60.3	0	0	0	111.6	D194 L195 N200 C201 V202 I276 A281 I309 T316 V318	D194-L198 WeakPolarHBondContact O-CB 3.03Å; D194-L198 PolarHBondContact O-N 2.77Å; L195-L198 PolarHBondContact O-N 3.46Å; L198-N200 PolarHBondContact O-N 2.95Å; L198-C201 WeakPolarHBondContact O-CB 3.38Å; L198-C201 PolarHBondContact O-N 2.87Å; L198-V202 HydrophobicContact CD1-CG2 3.83Å; L198-V202 WeakPolarHBondContact O-CG2 3.44Å; L198-V202 PolarHBondContact O-N 2.86Å; L198-I276 HydrophobicContact CD2-CD1 4.4Å; L198-A281 HydrophobicContact CD2-CB 3.91Å; L198-I309 HydrophobicContact CD1-CD1 3.94Å; L198-I309 HydrophobicContact CD1-CG1 4.47Å; L198-I309 HydrophobicContact CD1-CG2 3.93Å; L198-I309 HydrophobicContact CD2-CG2 4.33Å; L198-T316 HydrophobicContact CD1-CG2 4.01Å; L198-V318 HydrophobicContact CD1-CG2 4.33Å
199	E	97.6	Very high	96.9	Very high	59 Å²	59	31.3 Å²	31.3	28%	0.276	16%	0.155	S	C	.	.	H	α-helix	trans	-58.7	-49.3	-178	-171.2	178.8	158.2	0	0	111.8	L195 P196 C201 V202 L203 R284 A288	L195-E199 WeakPolarHBondContact O-CB 3.28Å; L195-E199 PolarHBondContact O-N 3.44Å; P196-E199 PolarHBondContact O-N 2.96Å; E199-C201 VanDerWaalsContact C-N 3.35Å; E199-C201 PolarHBondContact O-N 2.93Å; E199-V202 PolarHBondContact O-N 2.89Å; E199-L203 WeakPolarHBondContact O-CB 3.5Å; E199-L203 PolarHBondContact O-N 3.11Å; E199-R284 HydrophobicContact CB-CB 4.47Å; E199-R284 IonicContact OE2-CZ 2.63Å; E199-R284 IonicContact OE2-NH1 3.42Å; E199-R284 PolarHBondContact OE2-NH1 2.8Å; E199-A288 HydrophobicContact CG-CB 4.25Å
200	N	97.7	Very high	96.8	Very high	57 Å²	57	31.6 Å²	31.6	31%	0.305	16%	0.156	S	C	.	.	H	α-helix	trans	-64.6	-37.9	176.9	-73	-57.7	0	0	0	112.8	P196 L198 R204	P196-N200 PolarHBondContact O-N 3.04Å; P196-N200 VanDerWaalsContact O-N 3.13Å; P196-N200 PolarHBondContact O-ND2 2.99Å; L198-N200 PolarHBondContact O-N 2.95Å; N200-R204 WeakPolarHBondContact O-CB 3.3Å; N200-R204 PolarHBondContact O-N 2.84Å
201	C	97.8	Very high	96.6	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-45.3	177.1	-174.3	0	0	0	0	111.3	C191 S197 L198 E199 A205	C191-C201 HydrophobicContact CB-CB 3.7Å; S197-C201 WeakPolarHBondContact O-CB 3.49Å; S197-C201 PolarHBondContact O-N 2.91Å; L198-C201 WeakPolarHBondContact O-CB 3.38Å; L198-C201 PolarHBondContact O-N 2.87Å; E199-C201 VanDerWaalsContact C-N 3.35Å; E199-C201 PolarHBondContact O-N 2.93Å; C201-A205 VanDerWaalsContact O-CB 3.23Å; C201-A205 WeakPolarHBondContact O-CB 3.31Å; C201-A205 PolarHBondContact O-N 3.23Å
202	V	98.3	Very high	96.2	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-47.3	176.8	171.4	0	0	0	0	110.5	L198 E199 R204 A205 W206 T285 A288 I289 I309 V318	L198-V202 HydrophobicContact CD1-CG2 3.83Å; L198-V202 WeakPolarHBondContact O-CG2 3.44Å; L198-V202 PolarHBondContact O-N 2.86Å; E199-V202 PolarHBondContact O-N 2.89Å; V202-R204 PolarHBondContact O-N 3.13Å; V202-A205 PolarHBondContact O-N 2.93Å; V202-W206 WeakPolarHBondContact O-CB 3.36Å; V202-W206 PolarHBondContact O-N 3.14Å; V202-T285 HydrophobicContact CG1-CG2 4.02Å; V202-T285 HydrophobicContact CG2-CG2 4.23Å; V202-A288 HydrophobicContact CB-CB 4.04Å; V202-A288 HydrophobicContact CG1-CB 3.74Å; V202-I289 HydrophobicContact CG1-CG1 4.09Å; V202-I309 HydrophobicContact CG2-CD1 4.04Å; V202-V318 HydrophobicContact CG2-CG1 4.31Å; V202-V318 HydrophobicContact CG2-CG2 4.31Å
203	L	97.4	Very high	94.8	Very high	27 Å²	27	35 Å²	35	14%	0.141	21%	0.211	C	C	.	.	H	α-helix	trans	-54.6	-52.6	178.6	-169.1	171	0	0	0	110.3	E199 A205 W206 S207 I217 A288 V292	E199-L203 WeakPolarHBondContact O-CB 3.5Å; E199-L203 PolarHBondContact O-N 3.11Å; L203-A205 PolarHBondContact O-N 2.61Å; L203-W206 PolarHBondContact O-N 3.17Å; L203-S207 WeakPolarHBondContact O-CB 3.34Å; L203-S207 PolarHBondContact O-N 2.92Å; L203-S207 PolarHBondContact O-OG 3.04Å; L203-S207 VanDerWaalsContact O-OG 3.07Å; L203-I217 HydrophobicContact CD1-CD1 4.19Å; L203-I217 HydrophobicContact CD1-CG1 4.34Å; L203-I217 HydrophobicContact CD1-CG2 4.35Å; L203-I217 HydrophobicContact CD2-CD1 3.53Å; L203-I217 HydrophobicContact CD2-CG1 3.89Å; L203-I217 HydrophobicContact CG-CD1 4.34Å; L203-A288 HydrophobicContact CB-CB 4.35Å; L203-V292 HydrophobicContact CD2-CG2 4.22Å; L203-V292 HydrophobicContact CG-CG2 4.07Å
204	R	96.9	Very high	93.1	Very high	101 Å²	101	37.8 Å²	37.8	38%	0.381	23%	0.231	S	C	.	.	H	α-helix	trans	-60.6	-48.3	178.5	177.1	174.4	58.8	-146.6	-2.2	112.3	D189 N200 V202 W206 N208	D189-R204 IonicContact OD1-NH2 3.94Å; D189-R204 IonicContact OD2-CZ 3.48Å; D189-R204 IonicContact OD2-NE 2.88Å; D189-R204 PolarHBondContact OD2-NE 2.9Å; D189-R204 VanDerWaalsContact OD2-NE 3.15Å; D189-R204 IonicContact OD2-NH2 3.06Å; D189-R204 PolarHBondContact OD2-NH2 3.45Å; N200-R204 WeakPolarHBondContact O-CB 3.3Å; N200-R204 PolarHBondContact O-N 2.84Å; V202-R204 PolarHBondContact O-N 3.13Å; R204-W206 VanDerWaalsContact C-N 3.33Å; R204-W206 PolarHBondContact O-N 3.48Å; R204-N208 PolarHBondContact O-N 3.36Å; R204-N208 VanDerWaalsContact O-N 3.13Å; R204-N208 PolarHBondContact O-ND2 3.23Å
205	A	97.4	Very high	90.7	Very high	8 Å²	8	39.6 Å²	39.6	7%	0.066	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-43.7	-179.6	0	0	0	0	0	111.4	V188 C201 V202 L203 F209 L320	V188-A205 HydrophobicContact CG2-CB 3.88Å; C201-A205 VanDerWaalsContact O-CB 3.23Å; C201-A205 WeakPolarHBondContact O-CB 3.31Å; C201-A205 PolarHBondContact O-N 3.23Å; V202-A205 PolarHBondContact O-N 2.93Å; L203-A205 PolarHBondContact O-N 2.61Å; A205-F209 VanDerWaalsContact O-CB 3.3Å; A205-F209 WeakPolarHBondContact O-CB 3.36Å; A205-F209 PolarHBondContact O-N 3.27Å; A205-L320 HydrophobicContact CB-CD1 4.28Å
206	W	97.9	Very high	88.2	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-69.6	-42.6	-179	-163.1	-100.3	0	0	0	112.6	V202 L203 R204 N208 F209 L210 F264 I289 W296 V305 V307 L320	V202-W206 WeakPolarHBondContact O-CB 3.36Å; V202-W206 PolarHBondContact O-N 3.14Å; L203-W206 PolarHBondContact O-N 3.17Å; R204-W206 VanDerWaalsContact C-N 3.33Å; R204-W206 PolarHBondContact O-N 3.48Å; W206-N208 PolarHBondContact O-N 3.41Å; W206-F209 HydrophobicContact CE3-CD1 4.41Å; W206-F209 HydrophobicContact CZ3-CD1 4.4Å; W206-F209 WeakPolarHBondContact O-CB 3.33Å; W206-F209 PolarHBondContact O-N 3.35Å; W206-L210 WeakPolarHBondContact O-CG 3.41Å; W206-L210 PolarHBondContact O-N 3.47Å; W206-F264 HydrophobicContact CH2-CB 4.23Å; W206-I289 HydrophobicContact CD2-CG1 3.91Å; W206-I289 HydrophobicContact CD2-CG2 4.41Å; W206-I289 HydrophobicContact CE3-CD1 4.43Å; W206-I289 HydrophobicContact CE3-CG1 4.22Å; W206-I289 HydrophobicContact CG-CG1 4.17Å; W206-I289 HydrophobicContact CZ2-CG2 3.9Å; W206-I289 HydrophobicContact CZ3-CD1 4.48Å; W206-W296 HydrophobicContact CH2-CE3 4.12Å; W206-W296 HydrophobicContact CH2-CZ3 4.11Å; W206-W296 AromaticContact CZ2-CD2 3.66Å; W206-W296 HydrophobicContact CZ2-CD2 3.66Å; W206-W296 AromaticContact CZ2-CE2 3.93Å; W206-W296 AromaticContact CZ2-CE3 3.7Å; W206-W296 HydrophobicContact CZ2-CE3 3.7Å; W206-W296 HydrophobicContact CZ2-CG 4.17Å; W206-W296 HydrophobicContact CZ2-CH2 4.26Å; W206-W296 HydrophobicContact CZ2-CZ2 4.24Å; W206-W296 HydrophobicContact CZ2-CZ3 4Å; W206-V305 HydrophobicContact CH2-CB 4.06Å; W206-V305 HydrophobicContact CH2-CG1 3.94Å; W206-V305 HydrophobicContact CH2-CG2 4.43Å; W206-V305 HydrophobicContact CZ3-CB 4.42Å; W206-V305 HydrophobicContact CZ3-CG1 3.79Å; W206-V307 HydrophobicContact CE3-CG2 4.09Å; W206-V307 HydrophobicContact CH2-CG2 4.2Å; W206-V307 HydrophobicContact CZ3-CG2 3.46Å; W206-V307 VanDerWaalsContact CZ3-CG2 3.46Å; W206-L320 HydrophobicContact CE3-CD1 4.24Å; W206-L320 HydrophobicContact CE3-CD2 3.73Å; W206-L320 HydrophobicContact CZ3-CD2 3.93Å
207	S	96.9	Very high	85.9	Confident	6 Å²	6	46.7 Å²	46.7	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-45.2	174.2	-62.4	0	0	0	0	112	L203 F209 L210 G211 L212 V292	L203-S207 WeakPolarHBondContact O-CB 3.34Å; L203-S207 PolarHBondContact O-N 2.92Å; L203-S207 PolarHBondContact O-OG 3.04Å; L203-S207 VanDerWaalsContact O-OG 3.07Å; S207-F209 VanDerWaalsContact C-N 3.33Å; S207-F209 PolarHBondContact O-N 3.08Å; S207-L210 PolarHBondContact O-N 3.34Å; S207-G211 PolarHBondContact O-N 3.49Å; S207-L212 PolarHBondContact O-N 3.49Å; S207-V292 WeakPolarHBondContact OG-CG2 3.36Å
208	N	96	Very high	83.1	Confident	25 Å²	25	52.5 Å²	52.5	13%	0.134	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-41.7	176.5	-66.4	-43.7	0	0	0	111.6	R204 W206 L210 G211 K250	R204-N208 PolarHBondContact O-N 3.36Å; R204-N208 VanDerWaalsContact O-N 3.13Å; R204-N208 PolarHBondContact O-ND2 3.23Å; W206-N208 PolarHBondContact O-N 3.41Å; N208-L210 VanDerWaalsContact C-N 3.29Å; N208-L210 PolarHBondContact O-N 2.98Å; N208-G211 PolarHBondContact O-N 3.02Å; N208-K250 HydrophobicContact CB-CB 4.31Å; N208-K250 HydrophobicContact CB-CD 4.04Å; N208-K250 WeakPolarHBondContact ND2-CE 3.4Å; N208-K250 PolarHBondContact ND2-NZ 2.93Å; N208-K250 PolarHBondContact OD1-NZ 3.37Å
209	F	97.3	Very high	80.3	Confident	1 Å²	1	58 Å²	58	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-59.9	-38.4	178.5	178.8	-106.1	0	0	0	112.5	A205 W206 S207 G211 Q251 A253 T257 V305 L320 E322	A205-F209 VanDerWaalsContact O-CB 3.3Å; A205-F209 WeakPolarHBondContact O-CB 3.36Å; A205-F209 PolarHBondContact O-N 3.27Å; W206-F209 HydrophobicContact CE3-CD1 4.41Å; W206-F209 HydrophobicContact CZ3-CD1 4.4Å; W206-F209 WeakPolarHBondContact O-CB 3.33Å; W206-F209 PolarHBondContact O-N 3.35Å; S207-F209 VanDerWaalsContact C-N 3.33Å; S207-F209 PolarHBondContact O-N 3.08Å; F209-G211 PolarHBondContact O-N 2.88Å; F209-Q251 WeakPolarHBondContact CA-O 3.22Å; F209-Q251 HydrophobicContact CD2-CG 3.93Å; F209-Q251 HydrophobicContact CE2-CG 4.22Å; F209-A253 HydrophobicContact CD1-CB 3.95Å; F209-A253 HydrophobicContact CD2-CB 4.01Å; F209-A253 HydrophobicContact CE1-CB 3.51Å; F209-A253 VanDerWaalsContact CE2-CA 3.41Å; F209-A253 HydrophobicContact CE2-CB 3.58Å; F209-A253 HydrophobicContact CG-CB 4.18Å; F209-A253 HydrophobicContact CZ-CB 3.31Å; F209-A253 WeakPolarHBondContact O-CB 3.44Å; F209-A253 PolarHBondContact O-N 2.98Å; F209-T257 HydrophobicContact CE1-CG2 4.24Å; F209-T257 HydrophobicContact CZ-CG2 4.17Å; F209-V305 HydrophobicContact CE1-CG1 4.23Å; F209-V305 HydrophobicContact CE1-CG2 3.85Å; F209-V305 HydrophobicContact CZ-CG1 4.22Å; F209-V305 HydrophobicContact CZ-CG2 3.93Å; F209-L320 HydrophobicContact CB-CD1 3.51Å; F209-L320 HydrophobicContact CD1-CD1 4.32Å; F209-L320 HydrophobicContact CD2-CB 4.29Å; F209-L320 HydrophobicContact CD2-CD1 3.94Å; F209-L320 HydrophobicContact CE2-CB 4.41Å; F209-L320 HydrophobicContact CG-CD1 3.67Å; F209-E322 HydrophobicContact CE2-CG 4.25Å; F209-E322 HydrophobicContact CZ-CG 3.92Å
210	L	96.5	Very high	77.5	Confident	24 Å²	24	64.4 Å²	64.4	13%	0.126	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	3.9	175.5	-60.9	-175.7	0	0	0	114.1	W206 S207 N208 L212 L258 V292 D293 W296	W206-L210 WeakPolarHBondContact O-CG 3.41Å; W206-L210 PolarHBondContact O-N 3.47Å; S207-L210 PolarHBondContact O-N 3.34Å; N208-L210 VanDerWaalsContact C-N 3.29Å; N208-L210 PolarHBondContact O-N 2.98Å; L210-L212 HydrophobicContact CB-CD1 4.12Å; L210-L212 HydrophobicContact CB-CG 4Å; L210-L212 HydrophobicContact CD1-CD1 4.31Å; L210-L212 PolarHBondContact O-N 2.8Å; L210-L258 HydrophobicContact CD2-CD2 3.99Å; L210-V292 HydrophobicContact CD1-CG1 4.1Å; L210-D293 HydrophobicContact CD1-CB 4.22Å; L210-W296 HydrophobicContact CD2-CZ2 3.63Å
211	G	92.9	Very high	74.3	Confident	56 Å²	56	67 Å²	67	58%	0.577	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	15.6	-177.1	0	0	0	0	0	114	S207 N208 F209	S207-G211 PolarHBondContact O-N 3.49Å; N208-G211 PolarHBondContact O-N 3.02Å; F209-G211 PolarHBondContact O-N 2.88Å
212	L	89.2	Confident	71.4	Confident	82 Å²	82	72.1 Å²	72.1	43%	0.429	42%	0.418	S	S	.	.			trans	-82.6	128.6	178.8	-59.4	175	0	0	0	109.3	S207 L210 S214 V292	S207-L212 PolarHBondContact O-N 3.49Å; L210-L212 HydrophobicContact CB-CD1 4.12Å; L210-L212 HydrophobicContact CB-CG 4Å; L210-L212 HydrophobicContact CD1-CD1 4.31Å; L210-L212 PolarHBondContact O-N 2.8Å; L212-S214 PolarHBondContact O-N 3.43Å; L212-V292 HydrophobicContact CD1-CG1 3.61Å
213	A	66.3	Low	68.3	Low	94 Å²	94	81.3 Å²	81.3	78%	0.777	46%	0.457	S	S	*	.			trans	-57.2	133.9	173.4	0	0	0	0	0	109.6	C215	A213-C215 PolarHBondContact O-N 2.87Å
214	S	58.8	Low	65.5	Low	71 Å²	71	86 Å²	86	50%	0.497	49%	0.487	S	S	.	.			trans	-59.7	98.6	-179.7	-163.2	0	0	0	0	109.5	L212	L212-S214 PolarHBondContact O-N 3.43Å
215	C	43.5	Very low	62.4	Low	87 Å²	87	89.6 Å²	89.6	59%	0.588	51%	0.508	S	S	*	.			trans	-62.3	141.5	167.7	48.7	0	0	0	0	108	A213 I217	A213-C215 PolarHBondContact O-N 2.87Å; C215-I217 PolarHBondContact O-N 2.8Å
216	K	43.4	Very low	59.8	Low	196 Å²	196	95.2 Å²	95.2	85%	0.852	54%	0.542	S	S	*	.			trans	-58.6	102.7	177.7	-66.3	177.7	-179.2	178.1	0	107.7	N218	K216-N218 VanDerWaalsContact C-N 3.28Å; K216-N218 PolarHBondContact O-N 2.86Å
217	I	48.3	Very low	57.1	Low	63 Å²	63	100.7 Å²	100.7	32%	0.323	58%	0.577	S	S	.	*			trans	-66.9	93.6	175.1	-55.6	165.8	0	0	0	106	L203 C215 T219	L203-I217 HydrophobicContact CD1-CD1 4.19Å; L203-I217 HydrophobicContact CD1-CG1 4.34Å; L203-I217 HydrophobicContact CD1-CG2 4.35Å; L203-I217 HydrophobicContact CD2-CD1 3.53Å; L203-I217 HydrophobicContact CD2-CG1 3.89Å; L203-I217 HydrophobicContact CG-CD1 4.34Å; C215-I217 PolarHBondContact O-N 2.8Å; I217-T219 PolarHBondContact O-N 3.26Å; I217-T219 VanDerWaalsContact O-N 3.08Å
218	N	38.5	Very low	54.1	Low	141 Å²	141	106 Å²	106	75%	0.754	61%	0.612	S	S	*	*			trans	-68.1	105.5	168.7	-90.9	-15.5	0	0	0	107.4	K216 K220	K216-N218 VanDerWaalsContact C-N 3.28Å; K216-N218 PolarHBondContact O-N 2.86Å; N218-K220 VanDerWaalsContact C-N 3.28Å; N218-K220 PolarHBondContact O-N 3.21Å
219	T	37.7	Very low	51.4	Low	115 Å²	115	111.5 Å²	111.5	71%	0.706	64%	0.641	S	S	*	*			trans	-62.4	89.6	169.1	-42.1	0	0	0	0	109	I217	I217-T219 PolarHBondContact O-N 3.26Å; I217-T219 VanDerWaalsContact O-N 3.08Å
220	K	39.1	Very low	49	Very low	194 Å²	194	119.4 Å²	119.4	84%	0.843	68%	0.678	S	S	*	*			trans	-99	84.8	160.1	-82.1	-172.2	177.5	179.7	0	107.9	N218	N218-K220 VanDerWaalsContact C-N 3.28Å; N218-K220 PolarHBondContact O-N 3.21Å
221	C	31	Very low	46.5	Very low	112 Å²	112	123.3 Å²	123.3	76%	0.757	71%	0.707	S	S	*	*			trans	-158.8	137.4	152.9	-141.3	0	0	0	0	110.9
222	S	36.9	Very low	43.9	Very low	109 Å²	109	125.2 Å²	125.2	76%	0.762	71%	0.712	S	S	*	*			trans	73.6	82.7	-174.1	65.6	0	0	0	0	117	V224	S222-V224 PolarHBondContact O-N 3.11Å
223	K	31.6	Very low	41.5	Very low	194 Å²	194	129 Å²	129	84%	0.843	73%	0.732	S	S	*	*			trans	-66.9	114.4	142.7	-88	-175.8	172.8	-169.1	0	107.3
224	V	40.6	Very low	40.1	Very low	126 Å²	126	128.2 Å²	128.2	76%	0.764	73%	0.733	S	S	*	*			trans	-127.7	108	152.2	179	0	0	0	0	105	S222	S222-V224 PolarHBondContact O-N 3.11Å
225	E	31.6	Very low	39	Very low	177 Å²	177	133.7 Å²	133.7	83%	0.827	75%	0.751	S	S	*	*			trans	-72.3	125.1	174	-77.6	166.4	164.2	0	0	109.2
226	V	41.2	Very low	38.7	Very low	126 Å²	126	137.8 Å²	137.8	76%	0.764	77%	0.767	S	S	*	*			trans	-137.3	134.5	153.9	-175.6	0	0	0	0	107.8
227	P	41.2	Very low	38.4	Very low	116 Å²	116	131.9 Å²	131.9	75%	0.753	76%	0.755	S	S	*	*			trans	-81.4	168.2	-159.3	-10.4	29.6	0	0	0	115
228	P	35.6	Very low	37.6	Very low	118 Å²	118	135.4 Å²	135.4	77%	0.766	77%	0.774	S	S	*	*			trans	-92.2	139.4	-171.3	35.6	-29.3	0	0	0	112.8
229	D	38	Very low	37.3	Very low	139 Å²	139	136 Å²	136	74%	0.743	78%	0.778	S	S	*	*			trans	-140.1	108.2	161.3	-102.4	-28.8	0	0	0	111.4
230	Q	47.6	Very low	37.1	Very low	167 Å²	167	138.2 Å²	138.2	78%	0.78	79%	0.785	S	S	*	*				58.8	135.9	127.8	-60.9	-179	50.4	0	0	124.1
231	S	44.7	Very low	36.8	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	78%	0.782	S	S	*	*			trans	70.6	103.8	157	57.2	0	0	0	0	117.6
232	S	36.6	Very low	37.1	Very low	97 Å²	97	139.3 Å²	139.3	68%	0.678	79%	0.787	S	S	*	*				70.3	110.6	73.3	75.9	0	0	0	0	113.4
233	D	39.1	Very low	37.3	Very low	161 Å²	161	137.5 Å²	137.5	86%	0.861	77%	0.774	S	S	*	*				153.5	136.9	127.3	-72.5	-16.3	0	0	0	111.6
234	G	36.5	Very low	38.2	Very low	77 Å²	77	134.8 Å²	134.8	79%	0.794	77%	0.768	S	S	*	*			trans	110.9	88.5	151.6	0	0	0	0	0	116.3
235	E	37.4	Very low	39	Very low	187 Å²	187	135.8 Å²	135.8	87%	0.874	77%	0.768	S	S	*	*			trans	-43.5	138.5	156.2	-62.6	167.5	135.5	0	0	112.2
236	N	35.8	Very low	40.8	Very low	172 Å²	172	130 Å²	130	92%	0.92	74%	0.742	S	S	*	*			trans	-158.2	135	137	-105	-37.2	0	0	0	112.2
237	A	37.3	Very low	42.7	Very low	73 Å²	73	130.7 Å²	130.7	60%	0.603	74%	0.737	S	S	*	*			trans	-85.6	164	-165.1	0	0	0	0	0	113.2
238	N	32.8	Very low	45	Very low	136 Å²	136	126.7 Å²	126.7	73%	0.727	71%	0.71	S	S	*	*			trans	66.4	109.1	148.6	-53.4	-20.8	0	0	0	117.6
239	N	32.1	Very low	47.7	Very low	155 Å²	155	122.9 Å²	122.9	83%	0.829	69%	0.685	S	S	*	*				-161.4	93.7	128.3	-90.3	-35.9	0	0	0	108.8	N241	N239-N241 PolarHBondContact O-N 3.46Å
240	D	32.6	Very low	50.4	Low	161 Å²	161	121.8 Å²	121.8	86%	0.861	67%	0.674	S	S	*	*			trans	-66.5	82.4	163.3	-63.2	-35.7	0	0	0	108.7	E242	D240-E242 VanDerWaalsContact C-N 3.34Å
241	N	33.1	Very low	52.7	Low	145 Å²	145	114.5 Å²	114.5	78%	0.775	64%	0.64	S	S	*	*			trans	-94.3	77.6	154.7	-92.1	-23.7	0	0	0	106.7	N239 S243	N239-N241 PolarHBondContact O-N 3.46Å; N241-S243 PolarHBondContact O-N 2.91Å
242	E	36.5	Very low	55.1	Low	184 Å²	184	115 Å²	115	86%	0.86	63%	0.633	S	S	*	*			trans	-66.8	80	164.9	-160	174.7	-155.6	0	0	107.2	D240 L244	D240-E242 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.23Å; E242-L244 VanDerWaalsContact O-N 3.1Å
243	S	42.1	Very low	58	Low	70 Å²	70	110.7 Å²	110.7	49%	0.49	60%	0.603	S	S	.	*			trans	-50.5	121.1	167.6	55.7	0	0	0	0	106.3	N241 I245	N241-S243 PolarHBondContact O-N 2.91Å; S243-I245 VanDerWaalsContact C-N 3.27Å; S243-I245 WeakPolarHBondContact O-CG1 3.39Å; S243-I245 PolarHBondContact O-N 3.02Å
244	L	50.4	Low	60.6	Low	137 Å²	137	105.2 Å²	105.2	72%	0.717	58%	0.577	S	S	*	*			trans	-59.3	88	-179.7	-70.1	157.3	0	0	0	109.3	E242 I246	E242-L244 PolarHBondContact O-N 3.23Å; E242-L244 VanDerWaalsContact O-N 3.1Å; L244-I246 PolarHBondContact O-N 2.68Å
245	I	57	Low	63.4	Low	148 Å²	148	108.5 Å²	108.5	76%	0.759	57%	0.572	S	S	*	*			trans	-72.7	104.2	178.8	-61.3	174.6	0	0	0	106.4	S243 H247	S243-I245 VanDerWaalsContact C-N 3.27Å; S243-I245 WeakPolarHBondContact O-CG1 3.39Å; S243-I245 PolarHBondContact O-N 3.02Å; I245-H247 PolarHBondContact O-N 2.93Å; I245-H247 VanDerWaalsContact O-N 3.17Å
246	I	68.7	Low	66	Low	54 Å²	54	103.8 Å²	103.8	28%	0.277	56%	0.559	S	S	.	*			trans	-61	118.5	171.7	-62.3	171.5	0	0	0	107.9	Q153 L244 V248	Q153-I246 HydrophobicContact CB-CD1 4.15Å; L244-I246 PolarHBondContact O-N 2.68Å; I246-V248 PolarHBondContact O-N 3.34Å
247	H	82.5	Confident	68.8	Low	142 Å²	142	96 Å²	96	66%	0.657	52%	0.518	S	S	*	.			trans	-75.5	109.1	174.8	-171.9	83.9	0	0	0	109.9	I245	I245-H247 PolarHBondContact O-N 2.93Å; I245-H247 VanDerWaalsContact O-N 3.17Å
248	V	88.3	Confident	71.5	Confident	31 Å²	31	95.7 Å²	95.7	19%	0.188	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-86.5	126	175.2	175.3	0	0	0	0	109.5	T45 H152 I246 K250	T45-V248 HydrophobicContact CG2-CG1 4.06Å; H152-V248 WeakPolarHBondContact O-CG2 3.41Å; I246-V248 PolarHBondContact O-N 3.34Å; V248-K250 PolarHBondContact O-N 3.46Å
249	P	92.1	Very high	74.4	Confident	39 Å²	39	95.2 Å²	95.2	25%	0.253	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-57	136	174.9	-25.5	33.3	0	0	0	111.8	H155 S158	H155-P249 WeakPolarHBondContact O-CG 3.25Å; S158-P249 WeakPolarHBondContact CA-O 3.41Å; S158-P249 WeakPolarHBondContact CB-O 3.12Å
250	K	94.3	Very high	77.3	Confident	116 Å²	116	89.6 Å²	89.6	50%	0.504	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-73.7	146.1	175.4	-68.1	163.5	166.5	-172.3	0	109.8	N208 V248	N208-K250 HydrophobicContact CB-CB 4.31Å; N208-K250 HydrophobicContact CB-CD 4.04Å; N208-K250 WeakPolarHBondContact ND2-CE 3.4Å; N208-K250 PolarHBondContact ND2-NZ 2.93Å; N208-K250 PolarHBondContact OD1-NZ 3.37Å; V248-K250 PolarHBondContact O-N 3.46Å
251	Q	96.3	Very high	80.2	Confident	14 Å²	14	86.1 Å²	86.1	7%	0.065	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-65.5	136.7	171.2	-176.6	-178	-2.9	0	0	109.8	A160 V188 F209 L320	A160-Q251 HydrophobicContact CB-CB 4.1Å; A160-Q251 HydrophobicContact CB-CG 3.67Å; A160-Q251 VanDerWaalsContact CB-OE1 3.23Å; V188-Q251 HydrophobicContact CG1-CB 4.04Å; F209-Q251 WeakPolarHBondContact CA-O 3.22Å; F209-Q251 HydrophobicContact CD2-CG 3.93Å; F209-Q251 HydrophobicContact CE2-CG 4.22Å; Q251-L320 PolarHBondContact NE2-O 3.01Å; Q251-L320 PolarHBondContact OE1-O 3.27Å
252	I	96.2	Very high	83.2	Confident	115 Å²	115	82.8 Å²	82.8	59%	0.59	45%	0.449	S	S	*	.			trans	-118.6	139.8	169.6	-58.6	174.2	0	0	0	106.8
253	A	96.6	Very high	86.1	Confident	7 Å²	7	75.4 Å²	75.4	6%	0.058	42%	0.416	C	S	.	.			trans	-61.7	145	176.9	0	0	0	0	0	111.3	F209 T257 L258	F209-A253 HydrophobicContact CD1-CB 3.95Å; F209-A253 HydrophobicContact CD2-CB 4.01Å; F209-A253 HydrophobicContact CE1-CB 3.51Å; F209-A253 VanDerWaalsContact CE2-CA 3.41Å; F209-A253 HydrophobicContact CE2-CB 3.58Å; F209-A253 HydrophobicContact CG-CB 4.18Å; F209-A253 HydrophobicContact CZ-CB 3.31Å; F209-A253 WeakPolarHBondContact O-CB 3.44Å; F209-A253 PolarHBondContact O-N 2.98Å; A253-T257 HydrophobicContact CB-CG2 4.18Å; A253-L258 HydrophobicContact CB-CD1 4.45Å; A253-L258 HydrophobicContact CB-CD2 3.75Å; A253-L258 HydrophobicContact CB-CG 3.86Å
254	C	94.6	Very high	88.8	Confident	46 Å²	46	72 Å²	72	31%	0.311	39%	0.393	S	S	.	.			trans	-68.6	156.7	172.2	71.2	0	0	0	0	111.2	S256 T257 L258 E322	C254-S256 PolarHBondContact O-N 2.86Å; C254-S256 PolarHBondContact SG-OG 3.14Å; C254-T257 WeakPolarHBondContact O-CB 3.46Å; C254-T257 PolarHBondContact O-N 3.08Å; C254-T257 PolarHBondContact SG-OG1 3.44Å; C254-L258 PolarHBondContact O-N 2.99Å; C254-L258 VanDerWaalsContact O-N 3.14Å; C254-E322 PolarHBondContact N-OE1 2.81Å; C254-E322 PolarHBondContact SG-OE1 2.83Å
255	E	93.9	Very high	91	Very high	147 Å²	147	66.4 Å²	66.4	69%	0.687	36%	0.363	S	S	*	.	H	α-helix	trans	-56.9	-38.3	-177.6	-173.7	175.4	-174.2	0	0	112.4	T257 L258 N259	E255-T257 PolarHBondContact O-N 3.25Å; E255-L258 PolarHBondContact O-N 3.24Å; E255-N259 VanDerWaalsContact CG-ND2 3.28Å; E255-N259 WeakPolarHBondContact CG-ND2 3.5Å; E255-N259 WeakPolarHBondContact O-CB 3.47Å; E255-N259 PolarHBondContact O-N 3.39Å; E255-N259 PolarHBondContact OE1-ND2 3.39Å
256	S	93.5	Very high	93	Very high	88 Å²	88	60.2 Å²	60.2	62%	0.615	33%	0.331	S	S	*	.	H	α-helix	trans	-64.8	-26.5	176.7	53.7	0	0	0	0	113.6	C254 G260	C254-S256 PolarHBondContact O-N 2.86Å; C254-S256 PolarHBondContact SG-OG 3.14Å; S256-G260 VanDerWaalsContact O-CA 3.26Å; S256-G260 WeakPolarHBondContact O-CA 3.43Å; S256-G260 PolarHBondContact O-N 2.78Å; S256-G260 VanDerWaalsContact O-N 3.08Å
257	T	94.6	Very high	94.3	Very high	8 Å²	8	60.6 Å²	60.6	5%	0.049	33%	0.333	C	S	.	.	H	α-helix	trans	-78.6	-39.9	175	-65	0	0	0	0	110.9	F209 A253 C254 E255 W296 V305 E322	F209-T257 HydrophobicContact CE1-CG2 4.24Å; F209-T257 HydrophobicContact CZ-CG2 4.17Å; A253-T257 HydrophobicContact CB-CG2 4.18Å; C254-T257 WeakPolarHBondContact O-CB 3.46Å; C254-T257 PolarHBondContact O-N 3.08Å; C254-T257 PolarHBondContact SG-OG1 3.44Å; E255-T257 PolarHBondContact O-N 3.25Å; T257-W296 HydrophobicContact CG2-CH2 3.9Å; T257-V305 HydrophobicContact CG2-CG2 3.41Å; T257-V305 VanDerWaalsContact CG2-CG2 3.41Å; T257-E322 WeakPolarHBondContact CB-OE1 3.26Å; T257-E322 PolarHBondContact OG1-OE1 3.02Å
258	L	93.2	Very high	95	Very high	66 Å²	66	55.2 Å²	55.2	35%	0.346	31%	0.307	S	S	.	.	H	α-helix	trans	-69.4	-41.9	179.9	-66.4	175.4	0	0	0	112.6	L210 A253 C254 E255	L210-L258 HydrophobicContact CD2-CD2 3.99Å; A253-L258 HydrophobicContact CB-CD1 4.45Å; A253-L258 HydrophobicContact CB-CD2 3.75Å; A253-L258 HydrophobicContact CB-CG 3.86Å; C254-L258 PolarHBondContact O-N 2.99Å; C254-L258 VanDerWaalsContact O-N 3.14Å; E255-L258 PolarHBondContact O-N 3.24Å
259	N	93	Very high	95.3	Very high	126 Å²	126	57.2 Å²	57.2	67%	0.674	31%	0.314	S	S	*	.	S	Bend	trans	-91.7	-10	-178.3	-64.9	-22.7	0	0	0	113.1	E255	E255-N259 VanDerWaalsContact CG-ND2 3.28Å; E255-N259 WeakPolarHBondContact CG-ND2 3.5Å; E255-N259 WeakPolarHBondContact O-CB 3.47Å; E255-N259 PolarHBondContact O-N 3.39Å; E255-N259 PolarHBondContact OE1-ND2 3.39Å
260	G	93	Very high	95.4	Very high	38 Å²	38	57.4 Å²	57.4	39%	0.392	32%	0.316	S	S	.	.	S	Bend	trans	-90.3	-158.5	-177	0	0	0	0	0	114.2	S256 K262	S256-G260 VanDerWaalsContact O-CA 3.26Å; S256-G260 WeakPolarHBondContact O-CA 3.43Å; S256-G260 PolarHBondContact O-N 2.78Å; S256-G260 VanDerWaalsContact O-N 3.08Å; G260-K262 PolarHBondContact O-N 2.77Å
261	S	93.3	Very high	95.2	Very high	87 Å²	87	57.7 Å²	57.7	61%	0.608	31%	0.314	S	S	*	.			trans	-66.9	120.9	175.5	-56.9	0	0	0	0	110.9	T263 S304	S261-T263 PolarHBondContact O-N 3.03Å; S261-S304 VanDerWaalsContact O-CB 3.3Å; S261-S304 WeakPolarHBondContact O-CB 3.47Å; S261-S304 PolarHBondContact O-OG 2.66Å
262	K	96.2	Very high	94.4	Very high	76 Å²	76	59.6 Å²	59.6	33%	0.33	34%	0.337	S	S	.	.			trans	-77.1	69.4	176.2	-64.2	-171.9	176.1	-167.1	0	111.6	G260 D293 S295 W296 N297	G260-K262 PolarHBondContact O-N 2.77Å; K262-D293 IonicContact NZ-OD2 2.77Å; K262-D293 PolarHBondContact NZ-OD2 2.99Å; K262-S295 WeakPolarHBondContact CD-OG 3.24Å; K262-S295 PolarHBondContact NZ-OG 2.91Å; K262-W296 VanDerWaalsContact C-CE3 3.46Å; K262-W296 HydrophobicContact CB-CD2 3.84Å; K262-W296 HydrophobicContact CB-CE3 4.1Å; K262-W296 HydrophobicContact CB-CG 4.14Å; K262-W296 HydrophobicContact CB-CZ2 4.48Å; K262-W296 HydrophobicContact CG-CD2 4.43Å; K262-W296 HydrophobicContact CG-CZ2 4.3Å; K262-W296 WeakPolarHBondContact O-CA 3.45Å; K262-N297 PolarHBondContact O-N 2.94Å
263	T	97.8	Very high	93.3	Very high	28 Å²	28	60.8 Å²	60.8	17%	0.172	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137	-176.7	58.3	0	0	0	0	112	S261 N297 C299 S304 V305	S261-T263 PolarHBondContact O-N 3.03Å; T263-N297 CarbonylContact C-O 3.57Å; T263-N297 VanDerWaalsContact CA-O 3.22Å; T263-N297 WeakPolarHBondContact CA-O 3.33Å; T263-C299 HydrophobicContact CG2-CB 4.06Å; T263-S304 PolarHBondContact N-OG 2.88Å; T263-S304 PolarHBondContact O-N 3.24Å; T263-S304 PolarHBondContact O-OG 2.95Å; T263-S304 PolarHBondContact OG1-N 2.75Å; T263-S304 VanDerWaalsContact OG1-N 3.08Å; T263-V305 PolarHBondContact O-N 3.16Å; T263-V305 VanDerWaalsContact O-N 3.15Å
264	F	98.2	Very high	92.1	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	159.4	178.2	70.3	-82	0	0	0	113.2	W206 I266 V286 I289 W296 N297 I298 C299 V305	W206-F264 HydrophobicContact CH2-CB 4.23Å; F264-I266 HydrophobicContact CD2-CD1 4.47Å; F264-I266 HydrophobicContact CD2-CG1 4.1Å; F264-I266 HydrophobicContact CE2-CD1 3.9Å; F264-I266 HydrophobicContact CE2-CG1 4.03Å; F264-V286 HydrophobicContact CE2-CG2 4.37Å; F264-I289 HydrophobicContact CD1-CG2 4.12Å; F264-I289 HydrophobicContact CD2-CD1 3.65Å; F264-I289 HydrophobicContact CE1-CG2 3.69Å; F264-I289 HydrophobicContact CE2-CD1 3.52Å; F264-I289 HydrophobicContact CE2-CG2 4.33Å; F264-I289 HydrophobicContact CG-CD1 4.31Å; F264-I289 HydrophobicContact CZ-CB 4.28Å; F264-I289 HydrophobicContact CZ-CD1 4.08Å; F264-I289 HydrophobicContact CZ-CG2 3.81Å; F264-W296 HydrophobicContact CB-CE3 4.34Å; F264-W296 HydrophobicContact CD1-CB 3.83Å; F264-W296 HydrophobicContact CD1-CE3 4.22Å; F264-W296 HydrophobicContact CE1-CB 3.82Å; F264-N297 WeakPolarHBondContact CD1-O 3.17Å; F264-N297 PolarHBondContact N-O 3.03Å; F264-I298 HydrophobicContact CE1-CG1 4.19Å; F264-I298 HydrophobicContact CE2-CG1 3.86Å; F264-I298 HydrophobicContact CZ-CD1 4.47Å; F264-I298 HydrophobicContact CZ-CG1 3.64Å; F264-I298 CarbonylContact O-C 3.56Å; F264-I298 VanDerWaalsContact O-CA 3.28Å; F264-I298 WeakPolarHBondContact O-CA 3.37Å; F264-C299 PolarHBondContact O-N 3.35Å; F264-V305 CarbonylContact C-O 3.59Å; F264-V305 WeakPolarHBondContact CA-O 3.35Å; F264-V305 WeakPolarHBondContact CB-O 3.5Å
265	M	97.9	Very high	91.4	Very high	18 Å²	18	69.7 Å²	69.7	9%	0.089	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.9	173.1	179.1	179.4	71.8	0	0	109.5	M267 P303 V305 V306 V307 F324 F325	M265-M267 HydrophobicContact CE-CG 3.74Å; M265-M267 HydrophobicContact CE-SD 3.92Å; M265-M267 HydrophobicContact SD-SD 4.38Å; M265-P303 HydrophobicContact CB-CB 3.8Å; M265-P303 HydrophobicContact CB-CG 3.66Å; M265-P303 HydrophobicContact CE-CG 4.4Å; M265-P303 HydrophobicContact SD-CG 4.46Å; M265-V305 PolarHBondContact N-O 2.96Å; M265-V306 HydrophobicContact CB-CG2 4.38Å; M265-V306 HydrophobicContact CE-CB 4.4Å; M265-V306 HydrophobicContact CE-CG1 3.79Å; M265-V306 HydrophobicContact CE-CG2 3.69Å; M265-V306 CarbonylContact O-C 3.54Å; M265-V306 WeakPolarHBondContact O-CA 3.42Å; M265-V307 PolarHBondContact O-N 2.92Å; M265-F324 HydrophobicContact CE-CD1 4.42Å; M265-F324 HydrophobicContact CE-CE1 4.16Å; M265-F325 HydrophobicContact CE-CZ 4.34Å
266	I	98.1	Very high	91.2	Very high	18 Å²	18	63.2 Å²	63.2	9%	0.092	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.3	177.1	-61.8	162.5	0	0	0	110.2	F264 I282 T285 V286 V307 I309	F264-I266 HydrophobicContact CD2-CD1 4.47Å; F264-I266 HydrophobicContact CD2-CG1 4.1Å; F264-I266 HydrophobicContact CE2-CD1 3.9Å; F264-I266 HydrophobicContact CE2-CG1 4.03Å; I266-I282 HydrophobicContact CD1-CG2 4.21Å; I266-I282 HydrophobicContact CG2-CG1 3.95Å; I266-T285 HydrophobicContact CD1-CG2 3.67Å; I266-T285 HydrophobicContact CG1-CG2 3.86Å; I266-T285 HydrophobicContact CG2-CG2 4.36Å; I266-V286 HydrophobicContact CD1-CB 4.48Å; I266-V286 HydrophobicContact CD1-CG2 3.37Å; I266-V307 WeakPolarHBondContact CA-O 3.18Å; I266-V307 HydrophobicContact CG1-CB 4.41Å; I266-I309 HydrophobicContact CG2-CG1 4.42Å
267	M	97	Very high	91.2	Very high	63 Å²	63	62.5 Å²	62.5	31%	0.31	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	108.6	177	-73.1	-63.9	-66.3	0	0	110.7	M265 V306 V307 S308 I309	M265-M267 HydrophobicContact CE-CG 3.74Å; M265-M267 HydrophobicContact CE-SD 3.92Å; M265-M267 HydrophobicContact SD-SD 4.38Å; M267-V306 HydrophobicContact CB-CG1 4.25Å; M267-V306 HydrophobicContact CG-CG1 3.68Å; M267-V307 PolarHBondContact N-O 3.5Å; M267-S308 CarbonylContact O-C 3.55Å; M267-S308 WeakPolarHBondContact O-CA 3.22Å; M267-S308 PolarHBondContact O-OG 3.01Å; M267-I309 PolarHBondContact O-N 3.35Å
268	F	96.7	Very high	91.2	Very high	28 Å²	28	68.7 Å²	68.7	12%	0.123	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.7	177.4	-179	-95.5	0	0	0	112.1	R278 A281 I309 V311	F268-R278 HydrophobicContact CB-CG 4.18Å; F268-R278 HydrophobicContact CD1-CB 3.64Å; F268-R278 HydrophobicContact CD1-CG 3.93Å; F268-R278 HydrophobicContact CE1-CB 3.96Å; F268-R278 HydrophobicContact CG-CB 4.31Å; F268-R278 HydrophobicContact CG-CG 4.28Å; F268-A281 HydrophobicContact CD2-CB 3.49Å; F268-A281 VanDerWaalsContact CD2-CB 3.49Å; F268-A281 HydrophobicContact CE2-CB 3.58Å; F268-A281 HydrophobicContact CG-CB 4.41Å; F268-I309 CarbonylContact C-O 3.53Å; F268-I309 WeakPolarHBondContact CA-O 3.29Å; F268-I309 HydrophobicContact CD2-CB 4.16Å; F268-I309 HydrophobicContact CD2-CG2 3.96Å; F268-I309 HydrophobicContact CE2-CG2 4.3Å; F268-V311 HydrophobicContact CE2-CG2 3.81Å; F268-V311 HydrophobicContact CZ-CG2 4.09Å
269	K	95.1	Very high	91.3	Very high	74 Å²	74	70.3 Å²	70.3	32%	0.322	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142	169.1	-70.4	179.6	-178.1	162.9	0	109.8	I309 T310 V311	K269-I309 PolarHBondContact N-O 2.95Å; K269-T310 HydrophobicContact CB-CG2 4.4Å; K269-T310 CarbonylContact O-C 3.58Å; K269-T310 WeakPolarHBondContact O-CA 3.35Å; K269-V311 PolarHBondContact O-N 3.37Å
270	S	93.4	Very high	91.5	Very high	43 Å²	43	66.1 Å²	66.1	30%	0.301	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.5	172.1	-170.9	0	0	0	0	110.6
271	R	90.7	Very high	91.6	Very high	121 Å²	121	64.3 Å²	64.3	46%	0.457	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	116.9	174.3	-57.8	-73	-166.3	-165	3.2	108.2	V144 V311 L312 C313	V144-R271 HydrophobicContact CB-CB 4.38Å; V144-R271 HydrophobicContact CG1-CB 3.49Å; V144-R271 VanDerWaalsContact CG1-CB 3.49Å; V144-R271 HydrophobicContact CG1-CG 3.97Å; V144-R271 HydrophobicContact CG2-CB 3.95Å; R271-V311 PolarHBondContact N-O 2.8Å; R271-L312 HydrophobicContact CB-CD2 3.95Å; R271-L312 HydrophobicContact CG-CD2 4.01Å; R271-C313 PolarHBondContact O-N 3.49Å
272	G	79.6	Confident	91.8	Very high	54 Å²	54	62 Å²	62	56%	0.557	31%	0.313	S	S	*	.	S	Bend	trans	81.2	-162.6	-171.5	0	0	0	0	0	112.5	K274	G272-K274 PolarHBondContact O-N 3.29Å
273	F	73	Confident	91.9	Very high	140 Å²	140	64.7 Å²	64.7	61%	0.614	32%	0.321	S	S	*	.			trans	-29.7	125.8	-173.2	-173.9	-104.9	0	0	0	115.2	A275	F273-A275 HydrophobicContact CD1-CB 3.86Å; F273-A275 HydrophobicContact CE1-CB 3.69Å; F273-A275 PolarHBondContact O-N 3.14Å
274	K	72	Confident	91.9	Very high	190 Å²	190	66.7 Å²	66.7	83%	0.826	33%	0.325	S	S	*	.			trans	-90.9	78.9	-178.2	-65.8	-178	-179.3	179	0	110.9	G272	G272-K274 PolarHBondContact O-N 3.29Å
275	A	78.6	Confident	91.9	Very high	50 Å²	50	66.7 Å²	66.7	41%	0.413	33%	0.325	S	S	.	.			trans	-80.3	-34.1	175.1	0	0	0	0	0	113	S193 F273	S193-A275 WeakPolarHBondContact O-CB 3.38Å; F273-A275 HydrophobicContact CD1-CB 3.86Å; F273-A275 HydrophobicContact CE1-CB 3.69Å; F273-A275 PolarHBondContact O-N 3.14Å
276	I	89.8	Confident	91.9	Very high	11 Å²	11	67 Å²	67	6%	0.056	33%	0.328	C	S	.	.	S	Bend	trans	-122.4	132	-174.9	-60.1	166.5	0	0	0	108.7	S193 L195 L198 A281	S193-I276 VanDerWaalsContact C-CD1 3.46Å; L195-I276 HydrophobicContact CD2-CG1 4.41Å; L195-I276 HydrophobicContact CD2-CG2 3.61Å; L198-I276 HydrophobicContact CD2-CD1 4.4Å; I276-A281 HydrophobicContact CG2-CB 3.73Å
277	T	92.8	Very high	91.8	Very high	73 Å²	73	70.8 Å²	70.8	45%	0.448	35%	0.345	S	S	.	.			trans	-76.3	154	173	77.9	0	0	0	0	110.5	D279 D280 A281	T277-D279 VanDerWaalsContact C-N 3.28Å; T277-D279 PolarHBondContact O-N 3.29Å; T277-D280 PolarHBondContact O-N 2.74Å; T277-D280 WeakPolarHBondContact OG1-CB 3.3Å; T277-D280 PolarHBondContact OG1-N 3.35Å; T277-D280 VanDerWaalsContact OG1-N 3.17Å; T277-D280 PolarHBondContact OG1-OD2 3.32Å; T277-A281 WeakPolarHBondContact O-CB 3.09Å; T277-A281 PolarHBondContact O-N 3.44Å
278	R	94.8	Very high	91.9	Very high	138 Å²	138	67.8 Å²	67.8	52%	0.521	33%	0.331	S	S	.	.	H	α-helix	trans	-55.8	-45.7	177.6	170.3	-179.8	153.5	99.4	3.1	111.3	F268 A281 I282	F268-R278 HydrophobicContact CB-CG 4.18Å; F268-R278 HydrophobicContact CD1-CB 3.64Å; F268-R278 HydrophobicContact CD1-CG 3.93Å; F268-R278 HydrophobicContact CE1-CB 3.96Å; F268-R278 HydrophobicContact CG-CB 4.31Å; F268-R278 HydrophobicContact CG-CG 4.28Å; R278-A281 PolarHBondContact O-N 3.41Å; R278-I282 HydrophobicContact CG-CD1 3.69Å; R278-I282 HydrophobicContact CG-CG1 4.49Å; R278-I282 VanDerWaalsContact O-CG1 3.25Å; R278-I282 WeakPolarHBondContact O-CG1 3.43Å; R278-I282 PolarHBondContact O-N 3.23Å
279	D	96.3	Very high	91.9	Very high	100 Å²	100	66.5 Å²	66.5	54%	0.535	33%	0.325	S	S	.	.	H	α-helix	trans	-70.2	-41.1	-174.4	-61.3	-27.2	0	0	0	111.3	T277 A281 I282 R283	T277-D279 VanDerWaalsContact C-N 3.28Å; T277-D279 PolarHBondContact O-N 3.29Å; D279-A281 PolarHBondContact O-N 3.29Å; D279-I282 PolarHBondContact O-N 3.29Å; D279-R283 WeakPolarHBondContact O-CG 3.32Å; D279-R283 PolarHBondContact O-N 3.02Å
280	D	96	Very high	92	Very high	39 Å²	39	67.3 Å²	67.3	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-42.8	175.9	-59.7	-37	0	0	0	111.4	L195 T277 I282 R283 R284	L195-D280 HydrophobicContact CD1-CB 3.97Å; L195-D280 HydrophobicContact CD2-CB 3.7Å; L195-D280 HydrophobicContact CG-CB 4.46Å; T277-D280 PolarHBondContact O-N 2.74Å; T277-D280 WeakPolarHBondContact OG1-CB 3.3Å; T277-D280 PolarHBondContact OG1-N 3.35Å; T277-D280 VanDerWaalsContact OG1-N 3.17Å; T277-D280 PolarHBondContact OG1-OD2 3.32Å; D280-I282 VanDerWaalsContact C-N 3.34Å; D280-I282 PolarHBondContact O-N 3.06Å; D280-R283 PolarHBondContact O-N 2.8Å; D280-R283 IonicContact OD1-CZ 3.68Å; D280-R283 IonicContact OD1-NH1 3.65Å; D280-R283 IonicContact OD1-NH2 3.59Å; D280-R283 PolarHBondContact OD1-NH2 3.13Å; D280-R284 WeakPolarHBondContact O-CG 3.35Å; D280-R284 PolarHBondContact O-N 3.07Å
281	A	96.4	Very high	92.2	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.6	-45.4	175.5	0	0	0	0	0	111.6	L198 F268 I276 T277 R278 D279 T285	L198-A281 HydrophobicContact CD2-CB 3.91Å; F268-A281 HydrophobicContact CD2-CB 3.49Å; F268-A281 VanDerWaalsContact CD2-CB 3.49Å; F268-A281 HydrophobicContact CE2-CB 3.58Å; F268-A281 HydrophobicContact CG-CB 4.41Å; I276-A281 HydrophobicContact CG2-CB 3.73Å; T277-A281 WeakPolarHBondContact O-CB 3.09Å; T277-A281 PolarHBondContact O-N 3.44Å; R278-A281 PolarHBondContact O-N 3.41Å; D279-A281 PolarHBondContact O-N 3.29Å; A281-T285 VanDerWaalsContact O-CB 3.29Å; A281-T285 WeakPolarHBondContact O-CB 3.4Å; A281-T285 PolarHBondContact O-N 2.93Å; A281-T285 PolarHBondContact O-OG1 3.34Å
282	I	97.5	Very high	92.5	Very high	37 Å²	37	65 Å²	65	19%	0.19	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-51.2	178.6	-70.2	168.5	0	0	0	110	I266 R278 D279 D280 R284 T285 V286	I266-I282 HydrophobicContact CD1-CG2 4.21Å; I266-I282 HydrophobicContact CG2-CG1 3.95Å; R278-I282 HydrophobicContact CG-CD1 3.69Å; R278-I282 HydrophobicContact CG-CG1 4.49Å; R278-I282 VanDerWaalsContact O-CG1 3.25Å; R278-I282 WeakPolarHBondContact O-CG1 3.43Å; R278-I282 PolarHBondContact O-N 3.23Å; D279-I282 PolarHBondContact O-N 3.29Å; D280-I282 VanDerWaalsContact C-N 3.34Å; D280-I282 PolarHBondContact O-N 3.06Å; I282-R284 PolarHBondContact O-N 3.21Å; I282-T285 PolarHBondContact O-N 2.97Å; I282-V286 HydrophobicContact CG2-CG2 4.41Å; I282-V286 WeakPolarHBondContact O-CG2 3.36Å; I282-V286 PolarHBondContact O-N 2.88Å
283	R	97.8	Very high	93.2	Very high	134 Å²	134	64.1 Å²	64.1	51%	0.506	31%	0.312	S	S	.	.	H	α-helix	trans	-56.7	-51.2	-179.1	-70.3	-164.9	-44.5	-113.3	-3.7	112	D279 D280 T285 V286 E287	D279-R283 WeakPolarHBondContact O-CG 3.32Å; D279-R283 PolarHBondContact O-N 3.02Å; D280-R283 PolarHBondContact O-N 2.8Å; D280-R283 IonicContact OD1-CZ 3.68Å; D280-R283 IonicContact OD1-NH1 3.65Å; D280-R283 IonicContact OD1-NH2 3.59Å; D280-R283 PolarHBondContact OD1-NH2 3.13Å; R283-T285 VanDerWaalsContact C-N 3.3Å; R283-T285 PolarHBondContact O-N 3.46Å; R283-V286 PolarHBondContact O-N 2.65Å; R283-V286 VanDerWaalsContact O-N 3.16Å; R283-E287 WeakPolarHBondContact O-CG 3.16Å; R283-E287 PolarHBondContact O-N 2.87Å
284	R	97.4	Very high	94.3	Very high	70 Å²	70	62 Å²	62	26%	0.264	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-35.4	179.5	-65.6	-50.9	-174.8	88.8	3.6	113.2	L195 E199 D280 I282 E287 A288	L195-R284 HydrophobicContact CB-CG 4.42Å; L195-R284 HydrophobicContact CD2-CG 3.97Å; E199-R284 HydrophobicContact CB-CB 4.47Å; E199-R284 IonicContact OE2-CZ 2.63Å; E199-R284 IonicContact OE2-NH1 3.42Å; E199-R284 PolarHBondContact OE2-NH1 2.8Å; D280-R284 WeakPolarHBondContact O-CG 3.35Å; D280-R284 PolarHBondContact O-N 3.07Å; I282-R284 PolarHBondContact O-N 3.21Å; R284-E287 WeakPolarHBondContact CD-OE2 3.47Å; R284-E287 IonicContact NE-OE2 3.38Å; R284-A288 WeakPolarHBondContact O-CB 3.49Å; R284-A288 PolarHBondContact O-N 3.38Å
285	T	98.2	Very high	95.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67	-41.8	176.1	-56.8	0	0	0	0	110.9	V202 I266 A281 I282 R283 A288 I289 V307 I309	V202-T285 HydrophobicContact CG1-CG2 4.02Å; V202-T285 HydrophobicContact CG2-CG2 4.23Å; I266-T285 HydrophobicContact CD1-CG2 3.67Å; I266-T285 HydrophobicContact CG1-CG2 3.86Å; I266-T285 HydrophobicContact CG2-CG2 4.36Å; A281-T285 VanDerWaalsContact O-CB 3.29Å; A281-T285 WeakPolarHBondContact O-CB 3.4Å; A281-T285 PolarHBondContact O-N 2.93Å; A281-T285 PolarHBondContact O-OG1 3.34Å; I282-T285 PolarHBondContact O-N 2.97Å; R283-T285 VanDerWaalsContact C-N 3.3Å; R283-T285 PolarHBondContact O-N 3.46Å; T285-A288 PolarHBondContact O-N 3.01Å; T285-I289 HydrophobicContact CG2-CD1 3.93Å; T285-I289 VanDerWaalsContact O-CG1 3.3Å; T285-I289 WeakPolarHBondContact O-CG1 3.14Å; T285-I289 PolarHBondContact O-N 3.43Å; T285-V307 HydrophobicContact CG2-CG1 3.82Å; T285-I309 HydrophobicContact CG2-CD1 4.46Å
286	V	98.1	Very high	96.3	Very high	25 Å²	25	53 Å²	53	15%	0.152	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-46.3	175.8	175.2	0	0	0	0	111.2	F264 I266 I282 R283 A288 I289 K290 I298	F264-V286 HydrophobicContact CE2-CG2 4.37Å; I266-V286 HydrophobicContact CD1-CB 4.48Å; I266-V286 HydrophobicContact CD1-CG2 3.37Å; I282-V286 HydrophobicContact CG2-CG2 4.41Å; I282-V286 WeakPolarHBondContact O-CG2 3.36Å; I282-V286 PolarHBondContact O-N 2.88Å; R283-V286 PolarHBondContact O-N 2.65Å; R283-V286 VanDerWaalsContact O-N 3.16Å; V286-A288 PolarHBondContact O-N 3.32Å; V286-I289 PolarHBondContact O-N 2.9Å; V286-K290 HydrophobicContact CG1-CD 4Å; V286-K290 HydrophobicContact CG1-CG 4.28Å; V286-K290 WeakPolarHBondContact O-CB 3.48Å; V286-K290 WeakPolarHBondContact O-CG 3.36Å; V286-K290 PolarHBondContact O-N 2.95Å; V286-I298 HydrophobicContact CG1-CD1 4.28Å; V286-I298 HydrophobicContact CG2-CD1 3.68Å
287	E	97.6	Very high	96.7	Very high	96 Å²	96	56.8 Å²	56.8	45%	0.449	29%	0.292	S	S	.	.	H	α-helix	trans	-57.3	-48.1	177	-73.1	164.6	-168.3	0	0	110.9	R283 R284 K290 S291	R283-E287 WeakPolarHBondContact O-CG 3.16Å; R283-E287 PolarHBondContact O-N 2.87Å; R284-E287 WeakPolarHBondContact CD-OE2 3.47Å; R284-E287 IonicContact NE-OE2 3.38Å; E287-K290 PolarHBondContact O-N 3.43Å; E287-S291 WeakPolarHBondContact O-CB 3.33Å; E287-S291 PolarHBondContact O-N 3.25Å
288	A	97.9	Very high	96.9	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-48.5	177.2	0	0	0	0	0	112.5	E199 V202 L203 R284 T285 V286 S291 V292	E199-A288 HydrophobicContact CG-CB 4.25Å; V202-A288 HydrophobicContact CB-CB 4.04Å; V202-A288 HydrophobicContact CG1-CB 3.74Å; L203-A288 HydrophobicContact CB-CB 4.35Å; R284-A288 WeakPolarHBondContact O-CB 3.49Å; R284-A288 PolarHBondContact O-N 3.38Å; T285-A288 PolarHBondContact O-N 3.01Å; V286-A288 PolarHBondContact O-N 3.32Å; A288-S291 PolarHBondContact O-N 2.9Å; A288-S291 PolarHBondContact O-OG 3.38Å; A288-V292 PolarHBondContact O-N 3.18Å
289	I	97.9	Very high	96.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-49	179.5	-71.4	167.2	0	0	0	111.1	V202 W206 F264 T285 V286 S291 V292 D293 W296 V307	V202-I289 HydrophobicContact CG1-CG1 4.09Å; W206-I289 HydrophobicContact CD2-CG1 3.91Å; W206-I289 HydrophobicContact CD2-CG2 4.41Å; W206-I289 HydrophobicContact CE3-CD1 4.43Å; W206-I289 HydrophobicContact CE3-CG1 4.22Å; W206-I289 HydrophobicContact CG-CG1 4.17Å; W206-I289 HydrophobicContact CZ2-CG2 3.9Å; W206-I289 HydrophobicContact CZ3-CD1 4.48Å; F264-I289 HydrophobicContact CD1-CG2 4.12Å; F264-I289 HydrophobicContact CD2-CD1 3.65Å; F264-I289 HydrophobicContact CE1-CG2 3.69Å; F264-I289 HydrophobicContact CE2-CD1 3.52Å; F264-I289 HydrophobicContact CE2-CG2 4.33Å; F264-I289 HydrophobicContact CG-CD1 4.31Å; F264-I289 HydrophobicContact CZ-CB 4.28Å; F264-I289 HydrophobicContact CZ-CD1 4.08Å; F264-I289 HydrophobicContact CZ-CG2 3.81Å; T285-I289 HydrophobicContact CG2-CD1 3.93Å; T285-I289 VanDerWaalsContact O-CG1 3.3Å; T285-I289 WeakPolarHBondContact O-CG1 3.14Å; T285-I289 PolarHBondContact O-N 3.43Å; V286-I289 PolarHBondContact O-N 2.9Å; I289-S291 VanDerWaalsContact C-N 3.26Å; I289-S291 PolarHBondContact O-N 2.8Å; I289-V292 PolarHBondContact O-N 2.82Å; I289-V292 VanDerWaalsContact O-N 3.14Å; I289-D293 PolarHBondContact O-N 2.77Å; I289-D293 VanDerWaalsContact O-N 3.15Å; I289-W296 HydrophobicContact CG2-CB 4.09Å; I289-V307 HydrophobicContact CD1-CG2 3.9Å
290	K	97.3	Very high	96.7	Very high	92 Å²	92	53.4 Å²	53.4	40%	0.4	28%	0.283	S	S	.	.	H	α-helix	trans	-69	-24.4	-178.4	-72.5	-168.1	171.5	-166	0	113.3	V286 E287 V292 D293 S294	V286-K290 HydrophobicContact CG1-CD 4Å; V286-K290 HydrophobicContact CG1-CG 4.28Å; V286-K290 WeakPolarHBondContact O-CB 3.48Å; V286-K290 WeakPolarHBondContact O-CG 3.36Å; V286-K290 PolarHBondContact O-N 2.95Å; E287-K290 PolarHBondContact O-N 3.43Å; K290-V292 VanDerWaalsContact C-N 3.29Å; K290-D293 CarbonylContact O-C 3.59Å; K290-S294 PolarHBondContact O-N 2.81Å
291	S	96.8	Very high	96.6	Very high	81 Å²	81	56.6 Å²	56.6	57%	0.566	31%	0.308	S	S	*	.	H	α-helix	trans	-69.4	-27	173.4	77.2	0	0	0	0	113.1	E287 A288 I289	E287-S291 WeakPolarHBondContact O-CB 3.33Å; E287-S291 PolarHBondContact O-N 3.25Å; A288-S291 PolarHBondContact O-N 2.9Å; A288-S291 PolarHBondContact O-OG 3.38Å; I289-S291 VanDerWaalsContact C-N 3.26Å; I289-S291 PolarHBondContact O-N 2.8Å
292	V	96.2	Very high	96.4	Very high	33 Å²	33	60.7 Å²	60.7	20%	0.2	34%	0.337	C	S	.	.	H	α-helix	trans	-84.2	-49.2	177.6	177.8	0	0	0	0	110.7	L203 S207 L210 L212 A288 I289 K290	L203-V292 HydrophobicContact CD2-CG2 4.22Å; L203-V292 HydrophobicContact CG-CG2 4.07Å; S207-V292 WeakPolarHBondContact OG-CG2 3.36Å; L210-V292 HydrophobicContact CD1-CG1 4.1Å; L212-V292 HydrophobicContact CD1-CG1 3.61Å; A288-V292 PolarHBondContact O-N 3.18Å; I289-V292 PolarHBondContact O-N 2.82Å; I289-V292 VanDerWaalsContact O-N 3.14Å; K290-V292 VanDerWaalsContact C-N 3.29Å
293	D	95	Very high	96.4	Very high	37 Å²	37	59.6 Å²	59.6	20%	0.198	33%	0.332	C	S	.	.			trans	-148.1	109.4	175.2	178.4	-2.1	0	0	0	109.6	L210 K262 I289 K290 S295 W296	L210-D293 HydrophobicContact CD1-CB 4.22Å; K262-D293 IonicContact NZ-OD2 2.77Å; K262-D293 PolarHBondContact NZ-OD2 2.99Å; I289-D293 PolarHBondContact O-N 2.77Å; I289-D293 VanDerWaalsContact O-N 3.15Å; K290-D293 CarbonylContact O-C 3.59Å; D293-S295 PolarHBondContact O-N 3.38Å; D293-S295 VanDerWaalsContact OD1-CB 3.29Å; D293-S295 WeakPolarHBondContact OD1-CB 3.33Å; D293-S295 PolarHBondContact OD1-N 2.85Å; D293-S295 PolarHBondContact OD1-OG 2.73Å; D293-S295 PolarHBondContact OD2-OG 2.91Å; D293-S295 VanDerWaalsContact OD2-OG 3.04Å; D293-W296 VanDerWaalsContact CG-CD1 3.48Å; D293-W296 PolarHBondContact O-N 3.5Å; D293-W296 PolarHBondContact OD2-NE1 2.91Å
294	S	96	Very high	96.3	Very high	94 Å²	94	54.5 Å²	54.5	66%	0.657	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-10.4	-177.3	61.6	0	0	0	0	114.1	K290 W296	K290-S294 PolarHBondContact O-N 2.81Å; S294-W296 PolarHBondContact O-N 3.45Å
295	S	96.1	Very high	96.3	Very high	49 Å²	49	51.2 Å²	51.2	34%	0.343	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.6	178.2	67.6	0	0	0	0	113.6	K262 D293 N297	K262-S295 WeakPolarHBondContact CD-OG 3.24Å; K262-S295 PolarHBondContact NZ-OG 2.91Å; D293-S295 PolarHBondContact O-N 3.38Å; D293-S295 VanDerWaalsContact OD1-CB 3.29Å; D293-S295 WeakPolarHBondContact OD1-CB 3.33Å; D293-S295 PolarHBondContact OD1-N 2.85Å; D293-S295 PolarHBondContact OD1-OG 2.73Å; D293-S295 PolarHBondContact OD2-OG 2.91Å; D293-S295 VanDerWaalsContact OD2-OG 3.04Å; S295-N297 PolarHBondContact O-ND2 3.09Å; S295-N297 VanDerWaalsContact O-ND2 3.07Å
296	W	97.4	Very high	96.4	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.008	31%	0.305	C	S	.	.			trans	-77.2	129.1	175.8	-73.9	81.6	0	0	0	112.4	W206 L210 T257 K262 F264 I289 D293 S294 V305	W206-W296 HydrophobicContact CH2-CE3 4.12Å; W206-W296 HydrophobicContact CH2-CZ3 4.11Å; W206-W296 AromaticContact CZ2-CD2 3.66Å; W206-W296 HydrophobicContact CZ2-CD2 3.66Å; W206-W296 AromaticContact CZ2-CE2 3.93Å; W206-W296 AromaticContact CZ2-CE3 3.7Å; W206-W296 HydrophobicContact CZ2-CE3 3.7Å; W206-W296 HydrophobicContact CZ2-CG 4.17Å; W206-W296 HydrophobicContact CZ2-CH2 4.26Å; W206-W296 HydrophobicContact CZ2-CZ2 4.24Å; W206-W296 HydrophobicContact CZ2-CZ3 4Å; L210-W296 HydrophobicContact CD2-CZ2 3.63Å; T257-W296 HydrophobicContact CG2-CH2 3.9Å; K262-W296 VanDerWaalsContact C-CE3 3.46Å; K262-W296 HydrophobicContact CB-CD2 3.84Å; K262-W296 HydrophobicContact CB-CE3 4.1Å; K262-W296 HydrophobicContact CB-CG 4.14Å; K262-W296 HydrophobicContact CB-CZ2 4.48Å; K262-W296 HydrophobicContact CG-CD2 4.43Å; K262-W296 HydrophobicContact CG-CZ2 4.3Å; K262-W296 WeakPolarHBondContact O-CA 3.45Å; F264-W296 HydrophobicContact CB-CE3 4.34Å; F264-W296 HydrophobicContact CD1-CB 3.83Å; F264-W296 HydrophobicContact CD1-CE3 4.22Å; F264-W296 HydrophobicContact CE1-CB 3.82Å; I289-W296 HydrophobicContact CG2-CB 4.09Å; D293-W296 VanDerWaalsContact CG-CD1 3.48Å; D293-W296 PolarHBondContact O-N 3.5Å; D293-W296 PolarHBondContact OD2-NE1 2.91Å; S294-W296 PolarHBondContact O-N 3.45Å; W296-V305 HydrophobicContact CH2-CG2 3.96Å; W296-V305 HydrophobicContact CZ3-CB 4.39Å; W296-V305 HydrophobicContact CZ3-CG2 3.86Å
297	N	97.1	Very high	96.4	Very high	91 Å²	91	50 Å²	50	49%	0.487	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	150.9	-176.5	-71.4	-70.1	0	0	0	112.8	K262 T263 F264 S295	K262-N297 PolarHBondContact O-N 2.94Å; T263-N297 CarbonylContact C-O 3.57Å; T263-N297 VanDerWaalsContact CA-O 3.22Å; T263-N297 WeakPolarHBondContact CA-O 3.33Å; F264-N297 WeakPolarHBondContact CD1-O 3.17Å; F264-N297 PolarHBondContact N-O 3.03Å; S295-N297 PolarHBondContact O-ND2 3.09Å; S295-N297 VanDerWaalsContact O-ND2 3.07Å
298	I	97.5	Very high	96.4	Very high	89 Å²	89	45.5 Å²	45.5	46%	0.456	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126	179	-59	172	0	0	0	109.3	F264 V286	F264-I298 HydrophobicContact CE1-CG1 4.19Å; F264-I298 HydrophobicContact CE2-CG1 3.86Å; F264-I298 HydrophobicContact CZ-CD1 4.47Å; F264-I298 HydrophobicContact CZ-CG1 3.64Å; F264-I298 CarbonylContact O-C 3.56Å; F264-I298 VanDerWaalsContact O-CA 3.28Å; F264-I298 WeakPolarHBondContact O-CA 3.37Å; V286-I298 HydrophobicContact CG1-CD1 4.28Å; V286-I298 HydrophobicContact CG2-CD1 3.68Å
299	C	95.6	Very high	96.4	Very high	32 Å²	32	45.5 Å²	45.5	22%	0.216	28%	0.277	C	S	.	.			trans	-133.7	120.2	173	-178.9	0	0	0	0	110	T263 F264 S302 P303	T263-C299 HydrophobicContact CG2-CB 4.06Å; F264-C299 PolarHBondContact O-N 3.35Å; C299-S302 PolarHBondContact SG-N 3.22Å; C299-P303 WeakPolarHBondContact O-CB 3.46Å; C299-P303 WeakPolarHBondContact O-CD 3.46Å
300	N	91.7	Very high	96.3	Very high	120 Å²	120	45.9 Å²	45.9	64%	0.642	28%	0.279	S	S	*	.	S	Bend	trans	-87.9	-18.4	-177.7	-67	-27.8	0	0	0	113.7
301	S	92.6	Very high	96.3	Very high	105 Å²	105	41.6 Å²	41.6	73%	0.734	26%	0.26	S	S	*	.	S	Bend	trans	-90.4	-47.2	-173.9	-54.2	0	0	0	0	112.2
302	S	92.7	Very high	96.2	Very high	86 Å²	86	37.9 Å²	37.9	60%	0.601	23%	0.234	S	C	*	.	S	Bend	trans	-145.9	65.2	-176.1	58.2	0	0	0	0	111.5	C299	C299-S302 PolarHBondContact SG-N 3.22Å
303	P	96.8	Very high	96	Very high	14 Å²	14	37.9 Å²	37.9	9%	0.091	24%	0.235	C	C	.	.			trans	-66.5	143.6	171.8	30.2	-37.5	0	0	0	111.3	M265 C299 V306 F325	M265-P303 HydrophobicContact CB-CB 3.8Å; M265-P303 HydrophobicContact CB-CG 3.66Å; M265-P303 HydrophobicContact CE-CG 4.4Å; M265-P303 HydrophobicContact SD-CG 4.46Å; C299-P303 WeakPolarHBondContact O-CB 3.46Å; C299-P303 WeakPolarHBondContact O-CD 3.46Å; P303-V306 HydrophobicContact CB-CG2 4.45Å; P303-V306 HydrophobicContact CG-CG2 3.75Å; P303-F325 HydrophobicContact CG-CE2 3.72Å; P303-F325 HydrophobicContact CG-CZ 4.49Å
304	S	97	Very high	95.8	Very high	28 Å²	28	43.9 Å²	43.9	20%	0.196	26%	0.26	C	S	.	.	S	Bend	trans	-72.5	-33.6	167.5	58.2	0	0	0	0	111.6	S261 T263	S261-S304 VanDerWaalsContact O-CB 3.3Å; S261-S304 WeakPolarHBondContact O-CB 3.47Å; S261-S304 PolarHBondContact O-OG 2.66Å; T263-S304 PolarHBondContact N-OG 2.88Å; T263-S304 PolarHBondContact O-N 3.24Å; T263-S304 PolarHBondContact O-OG 2.95Å; T263-S304 PolarHBondContact OG1-N 2.75Å; T263-S304 VanDerWaalsContact OG1-N 3.08Å
305	V	98	Very high	95.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.4	179	-172	0	0	0	0	111.9	W206 F209 T257 T263 F264 M265 W296 E322	W206-V305 HydrophobicContact CH2-CB 4.06Å; W206-V305 HydrophobicContact CH2-CG1 3.94Å; W206-V305 HydrophobicContact CH2-CG2 4.43Å; W206-V305 HydrophobicContact CZ3-CB 4.42Å; W206-V305 HydrophobicContact CZ3-CG1 3.79Å; F209-V305 HydrophobicContact CE1-CG1 4.23Å; F209-V305 HydrophobicContact CE1-CG2 3.85Å; F209-V305 HydrophobicContact CZ-CG1 4.22Å; F209-V305 HydrophobicContact CZ-CG2 3.93Å; T257-V305 HydrophobicContact CG2-CG2 3.41Å; T257-V305 VanDerWaalsContact CG2-CG2 3.41Å; T263-V305 PolarHBondContact O-N 3.16Å; T263-V305 VanDerWaalsContact O-N 3.15Å; F264-V305 CarbonylContact C-O 3.59Å; F264-V305 WeakPolarHBondContact CA-O 3.35Å; F264-V305 WeakPolarHBondContact CB-O 3.5Å; M265-V305 PolarHBondContact N-O 2.96Å; W296-V305 HydrophobicContact CH2-CG2 3.96Å; W296-V305 HydrophobicContact CZ3-CB 4.39Å; W296-V305 HydrophobicContact CZ3-CG2 3.86Å; V305-E322 HydrophobicContact CG2-CG 4.47Å
306	V	98.4	Very high	95.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117	171.1	-179.7	0	0	0	0	110	M265 M267 P303 S308 L321 F324	M265-V306 HydrophobicContact CB-CG2 4.38Å; M265-V306 HydrophobicContact CE-CB 4.4Å; M265-V306 HydrophobicContact CE-CG1 3.79Å; M265-V306 HydrophobicContact CE-CG2 3.69Å; M265-V306 CarbonylContact O-C 3.54Å; M265-V306 WeakPolarHBondContact O-CA 3.42Å; M267-V306 HydrophobicContact CB-CG1 4.25Å; M267-V306 HydrophobicContact CG-CG1 3.68Å; P303-V306 HydrophobicContact CB-CG2 4.45Å; P303-V306 HydrophobicContact CG-CG2 3.75Å; V306-S308 PolarHBondContact O-N 3.04Å; V306-L321 HydrophobicContact CB-CB 4.17Å; V306-L321 PolarHBondContact N-O 3.36Å; V306-L321 WeakPolarHBondContact O-CB 3.15Å; V306-L321 PolarHBondContact O-N 3.05Å; V306-F324 HydrophobicContact CB-CB 4.12Å; V306-F324 HydrophobicContact CB-CD1 4.39Å; V306-F324 HydrophobicContact CB-CD2 4.07Å; V306-F324 HydrophobicContact CB-CG 3.95Å; V306-F324 HydrophobicContact CG1-CD1 4.5Å; V306-F324 HydrophobicContact CG1-CD2 4.21Å; V306-F324 HydrophobicContact CG1-CE1 4.49Å; V306-F324 HydrophobicContact CG1-CE2 4.24Å; V306-F324 HydrophobicContact CG1-CG 4.34Å; V306-F324 HydrophobicContact CG1-CZ 4.38Å; V306-F324 HydrophobicContact CG2-CB 3.56Å; V306-F324 HydrophobicContact CG2-CD1 3.71Å; V306-F324 HydrophobicContact CG2-CD2 4.2Å; V306-F324 HydrophobicContact CG2-CE1 4.41Å; V306-F324 HydrophobicContact CG2-CG 3.57Å
307	V	98.5	Very high	95.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	103.5	175	-176.1	0	0	0	0	108.6	W206 M265 I266 M267 T285 I289 I309 S319 L320	W206-V307 HydrophobicContact CE3-CG2 4.09Å; W206-V307 HydrophobicContact CH2-CG2 4.2Å; W206-V307 HydrophobicContact CZ3-CG2 3.46Å; W206-V307 VanDerWaalsContact CZ3-CG2 3.46Å; M265-V307 PolarHBondContact O-N 2.92Å; I266-V307 WeakPolarHBondContact CA-O 3.18Å; I266-V307 HydrophobicContact CG1-CB 4.41Å; M267-V307 PolarHBondContact N-O 3.5Å; T285-V307 HydrophobicContact CG2-CG1 3.82Å; I289-V307 HydrophobicContact CD1-CG2 3.9Å; V307-I309 HydrophobicContact CG1-CD1 3.98Å; V307-S319 CarbonylContact C-O 3.41Å; V307-S319 WeakPolarHBondContact CA-O 3.22Å; V307-L320 HydrophobicContact CB-CD2 4.43Å; V307-L320 HydrophobicContact CG1-CD2 4.08Å; V307-L320 HydrophobicContact CG2-CD2 3.9Å
308	S	98.1	Very high	95.9	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.8	177.6	-163.8	0	0	0	0	111	M267 V306 S319	M267-S308 CarbonylContact O-C 3.55Å; M267-S308 WeakPolarHBondContact O-CA 3.22Å; M267-S308 PolarHBondContact O-OG 3.01Å; V306-S308 PolarHBondContact O-N 3.04Å; S308-S319 PolarHBondContact N-O 2.88Å; S308-S319 PolarHBondContact O-N 2.79Å
309	I	97.6	Very high	96	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	108.1	173.4	-52.7	-54	0	0	0	107.7	L198 V202 I266 M267 F268 K269 T285 V307 T316 V318	L198-I309 HydrophobicContact CD1-CD1 3.94Å; L198-I309 HydrophobicContact CD1-CG1 4.47Å; L198-I309 HydrophobicContact CD1-CG2 3.93Å; L198-I309 HydrophobicContact CD2-CG2 4.33Å; V202-I309 HydrophobicContact CG2-CD1 4.04Å; I266-I309 HydrophobicContact CG2-CG1 4.42Å; M267-I309 PolarHBondContact O-N 3.35Å; F268-I309 CarbonylContact C-O 3.53Å; F268-I309 WeakPolarHBondContact CA-O 3.29Å; F268-I309 HydrophobicContact CD2-CB 4.16Å; F268-I309 HydrophobicContact CD2-CG2 3.96Å; F268-I309 HydrophobicContact CE2-CG2 4.3Å; K269-I309 PolarHBondContact N-O 2.95Å; T285-I309 HydrophobicContact CG2-CD1 4.46Å; V307-I309 HydrophobicContact CG1-CD1 3.98Å; I309-T316 HydrophobicContact CG2-CG2 3.52Å; I309-V318 HydrophobicContact CD1-CB 4.48Å; I309-V318 HydrophobicContact CD1-CG1 4.13Å; I309-V318 HydrophobicContact CD1-CG2 4.02Å
310	T	96.6	Very high	96.1	Very high	9 Å²	9	27.5 Å²	27.5	6%	0.055	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.9	179.5	-60.1	0	0	0	0	110.9	I48 K269 L312 C317	I48-T310 HydrophobicContact CD1-CG2 3.99Å; K269-T310 HydrophobicContact CB-CG2 4.4Å; K269-T310 CarbonylContact O-C 3.58Å; K269-T310 WeakPolarHBondContact O-CA 3.35Å; T310-L312 HydrophobicContact CG2-CD2 3.85Å; T310-L312 HydrophobicContact CG2-CG 4.2Å; T310-C317 PolarHBondContact N-O 3.3Å; T310-C317 PolarHBondContact O-N 3.23Å
311	V	95.6	Very high	96.4	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.9	175.5	-179.6	0	0	0	0	109.6	F268 K269 R271 T316	F268-V311 HydrophobicContact CE2-CG2 3.81Å; F268-V311 HydrophobicContact CZ-CG2 4.09Å; K269-V311 PolarHBondContact O-N 3.37Å; R271-V311 PolarHBondContact N-O 2.8Å; V311-T316 HydrophobicContact CG2-CG2 4.17Å
312	L	94.7	Very high	96.7	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.016	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	97	173.9	-57.8	-177.5	0	0	0	108.6	L40 I48 T142 V144 R271 T310 K314 V315	L40-L312 HydrophobicContact CD2-CB 4.05Å; L40-L312 HydrophobicContact CD2-CD1 3.85Å; I48-L312 HydrophobicContact CD1-CD1 4.38Å; I48-L312 HydrophobicContact CG1-CD1 4.39Å; T142-L312 HydrophobicContact CG2-CD1 4.09Å; V144-L312 HydrophobicContact CG2-CB 4.33Å; V144-L312 HydrophobicContact CG2-CD2 4.21Å; R271-L312 HydrophobicContact CB-CD2 3.95Å; R271-L312 HydrophobicContact CG-CD2 4.01Å; T310-L312 HydrophobicContact CG2-CD2 3.85Å; T310-L312 HydrophobicContact CG2-CG 4.2Å; L312-K314 PolarHBondContact O-N 3Å; L312-V315 PolarHBondContact N-O 3.19Å; L312-V315 PolarHBondContact O-N 2.91Å; L312-V315 VanDerWaalsContact O-N 3.07Å
313	C	92.2	Very high	96.8	Very high	33 Å²	33	15.9 Å²	15.9	22%	0.223	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-93	-174.9	-61.2	0	0	0	0	113.9	R271	R271-C313 PolarHBondContact O-N 3.49Å
314	K	92.4	Very high	96.8	Very high	164 Å²	164	16.1 Å²	16.1	71%	0.713	8%	0.082	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-0.6	-176.4	-62.9	-174.7	178.9	-176	0	113.3	S193 L312	S193-K314 PolarHBondContact N-O 2.92Å; S193-K314 PolarHBondContact OG-O 3.02Å; L312-K314 PolarHBondContact O-N 3Å
315	V	95.6	Very high	96.7	Very high	11 Å²	11	19 Å²	19	7%	0.067	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.4	-179.2	-177.6	0	0	0	0	109.6	L40 T190 C191 S193 L312	L40-V315 HydrophobicContact CD2-CB 3.92Å; L40-V315 HydrophobicContact CD2-CG1 4Å; L40-V315 HydrophobicContact CG-CB 4Å; L40-V315 HydrophobicContact CG-CG1 3.87Å; L40-V315 HydrophobicContact CG-CG2 4.21Å; L40-V315 WeakPolarHBondContact O-CG2 3.44Å; T190-V315 HydrophobicContact CG2-CG1 4.24Å; C191-V315 CarbonylContact O-C 3.55Å; C191-V315 WeakPolarHBondContact O-CA 3.37Å; C191-V315 WeakPolarHBondContact O-CG1 3.37Å; S193-V315 WeakPolarHBondContact OG-CA 3.4Å; S193-V315 PolarHBondContact OG-N 3.17Å; S193-V315 VanDerWaalsContact OG-N 3.13Å; L312-V315 PolarHBondContact N-O 3.19Å; L312-V315 PolarHBondContact O-N 2.91Å; L312-V315 VanDerWaalsContact O-N 3.07Å
316	T	96.7	Very high	96.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.8	173.9	-56.3	0	0	0	0	109.1	T190 C191 S193 L198 I309 V311	T190-T316 CarbonylContact C-O 3.51Å; T190-T316 VanDerWaalsContact CA-O 3.28Å; T190-T316 WeakPolarHBondContact CA-O 3.47Å; C191-T316 PolarHBondContact N-O 3.24Å; C191-T316 PolarHBondContact O-N 3.2Å; S193-T316 WeakPolarHBondContact CA-OG1 3.28Å; S193-T316 WeakPolarHBondContact CB-OG1 3.43Å; S193-T316 PolarHBondContact OG-N 3.03Å; S193-T316 PolarHBondContact OG-OG1 3.21Å; L198-T316 HydrophobicContact CD1-CG2 4.01Å; I309-T316 HydrophobicContact CG2-CG2 3.52Å; V311-T316 HydrophobicContact CG2-CG2 4.17Å
317	C	97.8	Very high	96.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.4	177	-53.8	0	0	0	0	109.2	I48 V187 T190 T310	I48-C317 HydrophobicContact CD1-CB 3.55Å; V187-C317 HydrophobicContact CG1-CB 3.82Å; V187-C317 HydrophobicContact CG2-CB 3.95Å; T190-C317 HydrophobicContact CG2-CB 4.27Å; T310-C317 PolarHBondContact N-O 3.3Å; T310-C317 PolarHBondContact O-N 3.23Å
318	V	98.4	Very high	96.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.6	177.9	-177.8	0	0	0	0	108.9	V187 V188 D189 L198 V202 I309	V187-V318 CarbonylContact C-O 3.55Å; V187-V318 WeakPolarHBondContact CA-O 3.29Å; V188-V318 HydrophobicContact CG2-CB 4.42Å; V188-V318 HydrophobicContact CG2-CG1 4.22Å; V188-V318 VanDerWaalsContact CG2-O 3.26Å; V188-V318 WeakPolarHBondContact CG2-O 3.31Å; V188-V318 PolarHBondContact N-O 3.41Å; D189-V318 PolarHBondContact O-N 3.3Å; L198-V318 HydrophobicContact CD1-CG2 4.33Å; V202-V318 HydrophobicContact CG2-CG1 4.31Å; V202-V318 HydrophobicContact CG2-CG2 4.31Å; I309-V318 HydrophobicContact CD1-CB 4.48Å; I309-V318 HydrophobicContact CD1-CG1 4.13Å; I309-V318 HydrophobicContact CD1-CG2 4.02Å
319	S	98.7	Very high	96.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.1	176.5	-57.6	0	0	0	0	110.3	P186 V307 S308	P186-S319 WeakPolarHBondContact O-CB 3.3Å; P186-S319 PolarHBondContact O-OG 2.97Å; V307-S319 CarbonylContact C-O 3.41Å; V307-S319 WeakPolarHBondContact CA-O 3.22Å; S308-S319 PolarHBondContact N-O 2.88Å; S308-S319 PolarHBondContact O-N 2.79Å
320	L	98.5	Very high	96.1	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	104.3	173.5	-54.8	-178.4	0	0	0	108.5	V188 A205 W206 F209 Q251 V307	V188-L320 HydrophobicContact CG1-CB 4.46Å; V188-L320 HydrophobicContact CG1-CG 4.41Å; V188-L320 HydrophobicContact CG2-CD1 4.36Å; V188-L320 HydrophobicContact CG2-CG 4.02Å; A205-L320 HydrophobicContact CB-CD1 4.28Å; W206-L320 HydrophobicContact CE3-CD1 4.24Å; W206-L320 HydrophobicContact CE3-CD2 3.73Å; W206-L320 HydrophobicContact CZ3-CD2 3.93Å; F209-L320 HydrophobicContact CB-CD1 3.51Å; F209-L320 HydrophobicContact CD1-CD1 4.32Å; F209-L320 HydrophobicContact CD2-CB 4.29Å; F209-L320 HydrophobicContact CD2-CD1 3.94Å; F209-L320 HydrophobicContact CE2-CB 4.41Å; F209-L320 HydrophobicContact CG-CD1 3.67Å; Q251-L320 PolarHBondContact NE2-O 3.01Å; Q251-L320 PolarHBondContact OE1-O 3.27Å; V307-L320 HydrophobicContact CB-CD2 4.43Å; V307-L320 HydrophobicContact CG1-CD2 4.08Å; V307-L320 HydrophobicContact CG2-CD2 3.9Å
321	L	98.3	Very high	96	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	106	-164.2	-55.6	174.1	0	0	0	110.4	M185 P186 V306 F324 Y330	M185-L321 HydrophobicContact CE-CD1 3.45Å; M185-L321 VanDerWaalsContact CE-CD1 3.45Å; P186-L321 HydrophobicContact CG-CD2 3.74Å; V306-L321 HydrophobicContact CB-CB 4.17Å; V306-L321 PolarHBondContact N-O 3.36Å; V306-L321 WeakPolarHBondContact O-CB 3.15Å; V306-L321 PolarHBondContact O-N 3.05Å; L321-F324 HydrophobicContact CB-CD2 4.07Å; L321-F324 HydrophobicContact CD1-CD2 3.77Å; L321-F324 HydrophobicContact CD1-CE2 3.82Å; L321-Y330 HydrophobicContact CB-CE2 3.71Å; L321-Y330 HydrophobicContact CD1-CD2 4.36Å; L321-Y330 HydrophobicContact CD1-CE2 4.34Å; L321-Y330 HydrophobicContact CD2-CD2 4.36Å; L321-Y330 HydrophobicContact CD2-CE1 4.19Å; L321-Y330 HydrophobicContact CD2-CE2 3.92Å; L321-Y330 HydrophobicContact CG-CE2 4.2Å
322	E	97.5	Very high	95.9	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.033	15%	0.152	C	C	.	.	S	Bend	trans	-82.3	164.3	168	-65	172.4	103.7	0	0	109.4	F209 C254 T257 V305 F324 Y330	F209-E322 HydrophobicContact CE2-CG 4.25Å; F209-E322 HydrophobicContact CZ-CG 3.92Å; C254-E322 PolarHBondContact N-OE1 2.81Å; C254-E322 PolarHBondContact SG-OE1 2.83Å; T257-E322 WeakPolarHBondContact CB-OE1 3.26Å; T257-E322 PolarHBondContact OG1-OE1 3.02Å; V305-E322 HydrophobicContact CG2-CG 4.47Å; E322-F324 PolarHBondContact O-N 3.46Å; E322-Y330 PolarHBondContact O-OH 3.44Å
323	N	96	Very high	95.5	Very high	60 Å²	60	35.7 Å²	35.7	32%	0.321	17%	0.169	S	C	.	.	S	Bend	trans	53.6	25.4	176.5	-67.9	-38.3	0	0	0	114.4	F325 K326 Y327	N323-F325 VanDerWaalsContact C-N 3.32Å; N323-F325 PolarHBondContact O-N 3.44Å; N323-K326 HydrophobicContact CB-CB 4.15Å; N323-K326 HydrophobicContact CB-CD 4.19Å; N323-K326 WeakPolarHBondContact O-CB 3.35Å; N323-K326 PolarHBondContact O-N 3.41Å; N323-Y327 HydrophobicContact CB-CD2 3.72Å; N323-Y327 HydrophobicContact CB-CE1 4.33Å; N323-Y327 HydrophobicContact CB-CE2 3.38Å; N323-Y327 HydrophobicContact CB-CG 4.32Å; N323-Y327 PolarHBondContact ND2-OH 3.46Å; N323-Y327 PolarHBondContact O-N 2.88Å
324	F	96.2	Very high	95.5	Very high	18 Å²	18	38.5 Å²	38.5	8%	0.079	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-41	-168.3	-176.7	-102.2	0	0	0	113.7	M265 V306 L321 E322 K329 Y330	M265-F324 HydrophobicContact CE-CD1 4.42Å; M265-F324 HydrophobicContact CE-CE1 4.16Å; V306-F324 HydrophobicContact CB-CB 4.12Å; V306-F324 HydrophobicContact CB-CD1 4.39Å; V306-F324 HydrophobicContact CB-CD2 4.07Å; V306-F324 HydrophobicContact CB-CG 3.95Å; V306-F324 HydrophobicContact CG1-CD1 4.5Å; V306-F324 HydrophobicContact CG1-CD2 4.21Å; V306-F324 HydrophobicContact CG1-CE1 4.49Å; V306-F324 HydrophobicContact CG1-CE2 4.24Å; V306-F324 HydrophobicContact CG1-CG 4.34Å; V306-F324 HydrophobicContact CG1-CZ 4.38Å; V306-F324 HydrophobicContact CG2-CB 3.56Å; V306-F324 HydrophobicContact CG2-CD1 3.71Å; V306-F324 HydrophobicContact CG2-CD2 4.2Å; V306-F324 HydrophobicContact CG2-CE1 4.41Å; V306-F324 HydrophobicContact CG2-CG 3.57Å; L321-F324 HydrophobicContact CB-CD2 4.07Å; L321-F324 HydrophobicContact CD1-CD2 3.77Å; L321-F324 HydrophobicContact CD1-CE2 3.82Å; E322-F324 PolarHBondContact O-N 3.46Å; F324-K329 HydrophobicContact CD1-CG 4.23Å; F324-K329 HydrophobicContact CE1-CB 3.85Å; F324-K329 HydrophobicContact CE1-CD 4.15Å; F324-K329 HydrophobicContact CE1-CG 3.53Å; F324-K329 HydrophobicContact CE2-CB 4.01Å; F324-K329 HydrophobicContact CZ-CB 3.52Å; F324-K329 HydrophobicContact CZ-CD 4.32Å; F324-K329 HydrophobicContact CZ-CG 3.75Å; F324-K329 WeakPolarHBondContact O-CA 3.46Å; F324-K329 PolarHBondContact O-N 3.32Å; F324-Y330 HydrophobicContact CB-CE2 4.45Å; F324-Y330 AromaticContact CD2-CD2 3.74Å; F324-Y330 HydrophobicContact CD2-CD2 3.74Å; F324-Y330 AromaticContact CD2-CE2 3.93Å; F324-Y330 HydrophobicContact CD2-CE2 3.93Å; F324-Y330 HydrophobicContact CE2-CD2 4.27Å
325	F	94.5	Very high	95.4	Very high	88 Å²	88	31.1 Å²	31.1	39%	0.386	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-35	178	-65.7	-88.7	0	0	0	112.6	M265 P303 N323 Y327 R328	M265-F325 HydrophobicContact CE-CZ 4.34Å; P303-F325 HydrophobicContact CG-CE2 3.72Å; P303-F325 HydrophobicContact CG-CZ 4.49Å; N323-F325 VanDerWaalsContact C-N 3.32Å; N323-F325 PolarHBondContact O-N 3.44Å; F325-Y327 VanDerWaalsContact C-N 3.3Å; F325-Y327 PolarHBondContact O-N 3.49Å; F325-R328 PolarHBondContact O-N 3.29Å; F325-R328 VanDerWaalsContact O-N 3.11Å
326	K	94.5	Very high	94.9	Very high	110 Å²	110	32.3 Å²	32.3	48%	0.478	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-44.9	172.8	176.7	-174.7	176.6	-173.2	0	110.4	L171 N323 R328	L171-K326 HydrophobicContact CD1-CD 4.49Å; L171-K326 HydrophobicContact CD1-CG 4.15Å; N323-K326 HydrophobicContact CB-CB 4.15Å; N323-K326 HydrophobicContact CB-CD 4.19Å; N323-K326 WeakPolarHBondContact O-CB 3.35Å; N323-K326 PolarHBondContact O-N 3.41Å; K326-R328 PolarHBondContact O-N 2.99Å
327	Y	96	Very high	94.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	19.3	178	-56.5	-34.5	0	0	0	114.2	N164 F167 E168 L171 N323 F325 K329 Y330 N331	N164-Y327 HydrophobicContact CB-CE2 4.39Å; F167-Y327 HydrophobicContact CB-CD1 3.51Å; F167-Y327 HydrophobicContact CB-CD2 4.17Å; F167-Y327 HydrophobicContact CB-CE1 3.6Å; F167-Y327 HydrophobicContact CB-CE2 4.25Å; F167-Y327 HydrophobicContact CB-CG 3.82Å; F167-Y327 HydrophobicContact CD1-CD1 4.18Å; F167-Y327 HydrophobicContact CD1-CG 4.01Å; F167-Y327 HydrophobicContact CG-CD1 4.11Å; F167-Y327 HydrophobicContact CG-CD2 4.35Å; F167-Y327 AromaticContact CG-CG 3.97Å; F167-Y327 HydrophobicContact CG-CG 3.97Å; E168-Y327 HydrophobicContact CG-CE1 4.41Å; E168-Y327 PolarHBondContact OE1-OH 3.44Å; L171-Y327 HydrophobicContact CD1-CD1 3.89Å; L171-Y327 HydrophobicContact CD1-CE1 3.87Å; N323-Y327 HydrophobicContact CB-CD2 3.72Å; N323-Y327 HydrophobicContact CB-CE1 4.33Å; N323-Y327 HydrophobicContact CB-CE2 3.38Å; N323-Y327 HydrophobicContact CB-CG 4.32Å; N323-Y327 PolarHBondContact ND2-OH 3.46Å; N323-Y327 PolarHBondContact O-N 2.88Å; F325-Y327 VanDerWaalsContact C-N 3.3Å; F325-Y327 PolarHBondContact O-N 3.49Å; Y327-K329 VanDerWaalsContact C-N 3.3Å; Y327-K329 PolarHBondContact O-N 3.27Å; Y327-Y330 AromaticContact CD2-CE1 3.96Å; Y327-Y330 HydrophobicContact CD2-CE1 3.96Å; Y327-Y330 AromaticContact CD2-CE2 3.99Å; Y327-Y330 HydrophobicContact CD2-CE2 3.99Å; Y327-Y330 AromaticContact CD2-CZ 3.68Å; Y327-Y330 VanDerWaalsContact O-CA 3.28Å; Y327-Y330 WeakPolarHBondContact O-CA 3.36Å; Y327-Y330 PolarHBondContact O-N 3.04Å; Y327-N331 PolarHBondContact O-N 3.36Å
328	R	95	Very high	93	Very high	92 Å²	92	41.1 Å²	41.1	35%	0.347	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	47.8	179.4	-61	-64.6	-169.2	-159.2	-2	113.2	F325 K326 Y330 N331 E334	F325-R328 PolarHBondContact O-N 3.29Å; F325-R328 VanDerWaalsContact O-N 3.11Å; K326-R328 PolarHBondContact O-N 2.99Å; R328-Y330 VanDerWaalsContact C-N 3.27Å; R328-Y330 PolarHBondContact O-N 3.31Å; R328-N331 WeakPolarHBondContact O-CB 3.48Å; R328-N331 PolarHBondContact O-N 3.3Å; R328-E334 HydrophobicContact CB-CB 3.94Å; R328-E334 HydrophobicContact CG-CB 4.27Å
329	K	95.4	Very high	91.3	Very high	113 Å²	113	44.7 Å²	44.7	49%	0.491	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	37.1	-176.7	-46	-178.8	-179.2	169.1	0	112.3	F324 Y327 N331	F324-K329 HydrophobicContact CD1-CG 4.23Å; F324-K329 HydrophobicContact CE1-CB 3.85Å; F324-K329 HydrophobicContact CE1-CD 4.15Å; F324-K329 HydrophobicContact CE1-CG 3.53Å; F324-K329 HydrophobicContact CE2-CB 4.01Å; F324-K329 HydrophobicContact CZ-CB 3.52Å; F324-K329 HydrophobicContact CZ-CD 4.32Å; F324-K329 HydrophobicContact CZ-CG 3.75Å; F324-K329 WeakPolarHBondContact O-CA 3.46Å; F324-K329 PolarHBondContact O-N 3.32Å; Y327-K329 VanDerWaalsContact C-N 3.3Å; Y327-K329 PolarHBondContact O-N 3.27Å; K329-N331 PolarHBondContact O-N 2.9Å
330	Y	97	Very high	89.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	38.1	-175.7	-71.5	-107.5	0	0	0	112.2	N164 F167 R183 L184 M185 P186 L321 E322 F324 Y327 R328	N164-Y330 PolarHBondContact OD1-OH 3.41Å; F167-Y330 HydrophobicContact CD2-CD1 4.03Å; F167-Y330 HydrophobicContact CD2-CE1 4.46Å; F167-Y330 AromaticContact CE2-CD1 3.65Å; F167-Y330 HydrophobicContact CE2-CD1 3.65Å; F167-Y330 HydrophobicContact CE2-CE1 4.48Å; F167-Y330 HydrophobicContact CE2-CG 4.35Å; F167-Y330 VanDerWaalsContact CZ-C 3.45Å; F167-Y330 HydrophobicContact CZ-CD1 4.12Å; F167-Y330 HydrophobicContact CZ-CG 4.38Å; F167-Y330 WeakPolarHBondContact CZ-O 3.44Å; R183-Y330 WeakPolarHBondContact CA-O 3.17Å; R183-Y330 WeakPolarHBondContact CB-O 3.28Å; L184-Y330 PolarHBondContact N-O 3.29Å; L184-Y330 VanDerWaalsContact N-O 3.14Å; L184-Y330 WeakPolarHBondContact O-CB 3.31Å; L184-Y330 WeakPolarHBondContact O-CD1 3.17Å; M185-Y330 HydrophobicContact CG-CG 4.26Å; P186-Y330 HydrophobicContact CG-CE1 4.32Å; L321-Y330 HydrophobicContact CB-CE2 3.71Å; L321-Y330 HydrophobicContact CD1-CD2 4.36Å; L321-Y330 HydrophobicContact CD1-CE2 4.34Å; L321-Y330 HydrophobicContact CD2-CD2 4.36Å; L321-Y330 HydrophobicContact CD2-CE1 4.19Å; L321-Y330 HydrophobicContact CD2-CE2 3.92Å; L321-Y330 HydrophobicContact CG-CE2 4.2Å; E322-Y330 PolarHBondContact O-OH 3.44Å; F324-Y330 HydrophobicContact CB-CE2 4.45Å; F324-Y330 AromaticContact CD2-CD2 3.74Å; F324-Y330 HydrophobicContact CD2-CD2 3.74Å; F324-Y330 AromaticContact CD2-CE2 3.93Å; F324-Y330 HydrophobicContact CD2-CE2 3.93Å; F324-Y330 HydrophobicContact CE2-CD2 4.27Å; Y327-Y330 AromaticContact CD2-CE1 3.96Å; Y327-Y330 HydrophobicContact CD2-CE1 3.96Å; Y327-Y330 AromaticContact CD2-CE2 3.99Å; Y327-Y330 HydrophobicContact CD2-CE2 3.99Å; Y327-Y330 AromaticContact CD2-CZ 3.68Å; Y327-Y330 VanDerWaalsContact O-CA 3.28Å; Y327-Y330 WeakPolarHBondContact O-CA 3.36Å; Y327-Y330 PolarHBondContact O-N 3.04Å; R328-Y330 VanDerWaalsContact C-N 3.27Å; R328-Y330 PolarHBondContact O-N 3.31Å
331	N	95.4	Very high	86.7	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.037	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-94.2	110.4	176.4	-174.4	-31.8	0	0	0	109.7	L182 R183 Y327 R328 K329 A333 E334 V335	L182-N331 CarbonylContact O-C 3.55Å; L182-N331 WeakPolarHBondContact O-CA 3.49Å; L182-N331 PolarHBondContact O-OD1 3.48Å; R183-N331 HydrophobicContact CG-CB 4.26Å; Y327-N331 PolarHBondContact O-N 3.36Å; R328-N331 WeakPolarHBondContact O-CB 3.48Å; R328-N331 PolarHBondContact O-N 3.3Å; K329-N331 PolarHBondContact O-N 2.9Å; N331-A333 VanDerWaalsContact C-N 3.3Å; N331-A333 PolarHBondContact O-N 3.04Å; N331-A333 WeakPolarHBondContact OD1-CB 3.25Å; N331-A333 PolarHBondContact OD1-N 3.17Å; N331-E334 HydrophobicContact CB-CB 3.98Å; N331-E334 HydrophobicContact CB-CG 4.3Å; N331-E334 WeakPolarHBondContact ND2-CG 3.36Å; N331-E334 PolarHBondContact ND2-OE1 3.12Å; N331-E334 PolarHBondContact O-N 3.32Å; N331-E334 PolarHBondContact OD1-N 3.27Å; N331-E334 VanDerWaalsContact OD1-N 3.09Å; N331-V335 WeakPolarHBondContact O-CB 3.38Å; N331-V335 PolarHBondContact O-N 3.31Å
332	V	93.5	Very high	83.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-35.2	-175.7	178.8	0	0	0	0	111.1	L65 F167 L170 A176 V181 L182 L184 V335	L65-V332 HydrophobicContact CD1-CG1 4.37Å; F167-V332 HydrophobicContact CE1-CG2 4.34Å; F167-V332 HydrophobicContact CZ-CG2 3.82Å; L170-V332 HydrophobicContact CD1-CG1 3.9Å; A176-V332 VanDerWaalsContact CB-O 3.31Å; A176-V332 WeakPolarHBondContact CB-O 3.28Å; A176-V332 VanDerWaalsContact O-CG1 3.31Å; A176-V332 WeakPolarHBondContact O-CG1 3.49Å; V181-V332 HydrophobicContact CG1-CG2 4.08Å; L182-V332 PolarHBondContact O-N 2.64Å; L182-V332 VanDerWaalsContact O-N 3.08Å; L184-V332 HydrophobicContact CB-CG2 3.9Å; V332-V335 WeakPolarHBondContact O-CG1 3.38Å
333	A	87.1	Confident	80.4	Confident	44 Å²	44	70.3 Å²	70.3	36%	0.364	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-33.9	179.1	0	0	0	0	0	112.9	N331 S337	N331-A333 VanDerWaalsContact C-N 3.3Å; N331-A333 PolarHBondContact O-N 3.04Å; N331-A333 WeakPolarHBondContact OD1-CB 3.25Å; N331-A333 PolarHBondContact OD1-N 3.17Å; A333-S337 PolarHBondContact O-OG 3.36Å
334	E	91	Very high	77.5	Confident	93 Å²	93	72.8 Å²	72.8	44%	0.435	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-20.9	-177.3	-69.6	174.7	-147.5	0	0	113.3	R328 N331 C336 S337	R328-E334 HydrophobicContact CB-CB 3.94Å; R328-E334 HydrophobicContact CG-CB 4.27Å; N331-E334 HydrophobicContact CB-CB 3.98Å; N331-E334 HydrophobicContact CB-CG 4.3Å; N331-E334 WeakPolarHBondContact ND2-CG 3.36Å; N331-E334 PolarHBondContact ND2-OE1 3.12Å; N331-E334 PolarHBondContact O-N 3.32Å; N331-E334 PolarHBondContact OD1-N 3.27Å; N331-E334 VanDerWaalsContact OD1-N 3.09Å; E334-C336 VanDerWaalsContact C-N 3.26Å; E334-C336 PolarHBondContact O-N 3.03Å; E334-S337 WeakPolarHBondContact O-CB 3.01Å; E334-S337 PolarHBondContact O-N 3.43Å
335	V	90	Very high	74.8	Confident	9 Å²	9	77.3 Å²	77.3	6%	0.055	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.9	-172.9	73.1	0	0	0	0	113	F167 L170 L171 N331 V332	F167-V335 HydrophobicContact CD1-CB 4.28Å; F167-V335 HydrophobicContact CD1-CG1 4.46Å; F167-V335 HydrophobicContact CD1-CG2 4.01Å; F167-V335 HydrophobicContact CE1-CB 4.39Å; L170-V335 HydrophobicContact CB-CG1 3.91Å; L170-V335 HydrophobicContact CD1-CG1 4.07Å; L171-V335 HydrophobicContact CD1-CG2 4.44Å; L171-V335 HydrophobicContact CD2-CG2 3.55Å; L171-V335 HydrophobicContact CG-CG2 3.74Å; N331-V335 WeakPolarHBondContact O-CB 3.38Å; N331-V335 PolarHBondContact O-N 3.31Å; V332-V335 WeakPolarHBondContact O-CG1 3.38Å
336	C	85	Confident	71.9	Confident	36 Å²	36	79.6 Å²	79.6	24%	0.243	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	1.3	178.5	-51.8	0	0	0	0	113.4	L170 A176 E334	L170-C336 PolarHBondContact O-SG 2.63Å; A176-C336 PolarHBondContact N-SG 3.39Å; E334-C336 VanDerWaalsContact C-N 3.26Å; E334-C336 PolarHBondContact O-N 3.03Å
337	S	82.3	Confident	69.2	Low	62 Å²	62	81.4 Å²	81.4	43%	0.434	46%	0.464	S	S	.	.	S	Bend	trans	-72.6	136.2	177.8	-65.8	0	0	0	0	109.9	A333 E334 S339	A333-S337 PolarHBondContact O-OG 3.36Å; E334-S337 WeakPolarHBondContact O-CB 3.01Å; E334-S337 PolarHBondContact O-N 3.43Å; S337-S339 PolarHBondContact O-N 3.46Å
338	P	73.3	Confident	66.9	Low	122 Å²	122	87.9 Å²	87.9	79%	0.792	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-56.2	132.3	177.1	23.2	-32	0	0	0	109.2
339	S	63.3	Low	64.6	Low	75 Å²	75	91.8 Å²	91.8	52%	0.524	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-55.8	137	173.1	53.5	0	0	0	0	108.9	S337 K341	S337-S339 PolarHBondContact O-N 3.46Å; S339-K341 PolarHBondContact O-N 3.24Å
340	P	57.8	Low	62.1	Low	115 Å²	115	93 Å²	93	75%	0.747	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-55.2	119.7	170.4	22.5	-30.5	0	0	0	107.7	C342	P340-C342 PolarHBondContact O-N 3.41Å
341	K	41.3	Very low	59.9	Low	183 Å²	183	100.3 Å²	100.3	80%	0.796	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-60.1	129.3	169.2	-70	-178.4	179.2	178.7	0	106.6	S339 D343	S339-K341 PolarHBondContact O-N 3.24Å; K341-D343 VanDerWaalsContact C-N 3.34Å; K341-D343 PolarHBondContact O-N 3.4Å
342	C	34.5	Very low	57.2	Low	118 Å²	118	108.7 Å²	108.7	80%	0.797	61%	0.606	S	S	*	*			trans	-68.7	98.3	163.8	-69.9	0	0	0	0	107	P340 C344	P340-C342 PolarHBondContact O-N 3.41Å; C342-C344 VanDerWaalsContact C-N 3.28Å; C342-C344 PolarHBondContact O-N 3.46Å
343	D	30.3	Very low	55.3	Low	132 Å²	132	114.1 Å²	114.1	71%	0.706	64%	0.644	S	S	*	*			trans	-71.5	90	168.7	-74.6	-25.1	0	0	0	108.4	K341 T345	K341-D343 VanDerWaalsContact C-N 3.34Å; K341-D343 PolarHBondContact O-N 3.4Å; D343-T345 PolarHBondContact O-N 3.47Å
344	C	33.7	Very low	53.3	Low	111 Å²	111	125.6 Å²	125.6	75%	0.75	69%	0.686	S	S	*	*			trans	-86.6	65.2	161.7	-59.4	0	0	0	0	108.6	C342	C342-C344 VanDerWaalsContact C-N 3.28Å; C342-C344 PolarHBondContact O-N 3.46Å
345	T	39.3	Very low	51.4	Low	113 Å²	113	127.3 Å²	127.3	69%	0.693	70%	0.699	S	S	*	*			trans	-95.5	102.8	168	48.3	0	0	0	0	109.4	D343 N347	D343-T345 PolarHBondContact O-N 3.47Å; T345-N347 PolarHBondContact O-N 3.34Å
346	N	34.3	Very low	49.3	Very low	136 Å²	136	133.5 Å²	133.5	73%	0.727	73%	0.732	S	S	*	*			trans	-42.5	116.6	166.4	-62.7	-41.7	0	0	0	111.5
347	N	37.8	Very low	47.4	Very low	149 Å²	149	138.9 Å²	138.9	80%	0.797	76%	0.76	S	S	*	*			trans	-101.9	73.5	156	-87.3	-30.7	0	0	0	108	T345 K349	T345-N347 PolarHBondContact O-N 3.34Å; N347-K349 PolarHBondContact O-N 3.48Å
348	I	46.9	Very low	45.3	Very low	136 Å²	136	143.4 Å²	143.4	70%	0.697	78%	0.779	S	S	*	*			trans	-82.5	95.5	156.4	-62.3	174.2	0	0	0	105
349	K	47.6	Very low	43.5	Very low	173 Å²	173	144.8 Å²	144.8	75%	0.752	78%	0.778	S	S	*	*			trans	-84.1	105.1	160.9	-76	-174	176.5	-177	0	106.8	N347 D351	N347-K349 PolarHBondContact O-N 3.48Å; K349-D351 PolarHBondContact O-N 3.37Å
350	N	43.2	Very low	42.2	Very low	139 Å²	139	149.4 Å²	149.4	74%	0.743	80%	0.795	S	S	*	*			trans	-67.8	110.5	158.8	-75	-11.8	0	0	0	107.3
351	D	50.6	Low	41.1	Very low	153 Å²	153	151.9 Å²	151.9	82%	0.818	80%	0.798	S	S	*	*			trans	-99.6	86	159.8	-87.5	-33.7	0	0	0	107.6	K349	K349-D351 PolarHBondContact O-N 3.37Å
352	E	38	Very low	41.1	Very low	183 Å²	183	149.5 Å²	149.5	86%	0.855	80%	0.798	S	S	*	*			trans	-108	101.3	155.6	-86.7	-170.5	153.8	0	0	107.3
353	S	53.6	Low	41.7	Very low	115 Å²	115	152.1 Å²	152.1	80%	0.804	80%	0.799	S	S	*	*			trans	174.3	86.6	149	49.9	0	0	0	0	111.9
354	K	44.8	Very low	42.7	Very low	285 Å²	285	153.9 Å²	153.9	100%	1.239	81%	0.807	S	S	*	*				-179.2	0	125	-111.5	-177.4	178.7	-179.7	0	112.4

Retrieved 354 of 354 residues in 158.5 ms (Link to these results)

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