G4M1L3_SCHMA Loading...

Chymotrypsin

AlphaFold DB , UniProt , Accession G4M1L3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 263 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	42	Very low	46.5	Very low	233 Å²	233	159.4 Å²	159.4	100%	1.148	84%	0.841	S	S	*	*				0	133.9	0	-75.3	173.6	166.2	0	0	107.3
2	L	42.6	Very low	46.4	Very low	154 Å²	154	158.1 Å²	158.1	81%	0.806	83%	0.834	S	S	*	*			trans	60	147.9	-168.5	-67.3	79.1	0	0	0	114
3	N	42.6	Very low	46.4	Very low	145 Å²	145	159.5 Å²	159.5	78%	0.775	83%	0.83	S	S	*	*			cis	-148.4	147	-22.9	-113.1	-6	0	0	0	108
4	G	44.6	Very low	46.3	Very low	76 Å²	76	156.3 Å²	156.3	78%	0.784	82%	0.82	S	S	*	*			trans	-74.1	144.9	-172.8	0	0	0	0	0	114.3
5	R	51.3	Low	46	Very low	238 Å²	238	158.7 Å²	158.7	90%	0.898	82%	0.816	S	S	*	*			trans	-133.4	106.4	158	-71	-176.6	77.3	159.6	1.5	109.5
6	T	51.9	Low	45.7	Very low	136 Å²	136	155.3 Å²	155.3	83%	0.834	81%	0.809	S	S	*	*			trans	7.8	118.6	150.8	21.9	0	0	0	0	118.2	L8	T6-L8 PolarHBondContact O-N 3.19Å
7	F	48	Very low	45.3	Very low	208 Å²	208	154.9 Å²	154.9	91%	0.912	81%	0.807	S	S	*	*			trans	-59	119.1	153.3	-98	-104.8	0	0	0	109.4
8	L	48.1	Very low	45	Very low	162 Å²	162	152.3 Å²	152.3	85%	0.848	80%	0.799	S	S	*	*			trans	-101.4	112	164.5	-163.1	77.7	0	0	0	107.6	T6	T6-L8 PolarHBondContact O-N 3.19Å
9	M	48.5	Very low	44.4	Very low	167 Å²	167	155.2 Å²	155.2	82%	0.823	81%	0.805	S	S	*	*			trans	-67.1	140.5	178.5	-108.2	-64.3	-175.1	0	0	111
10	V	42.7	Very low	43.8	Very low	111 Å²	111	156.8 Å²	156.8	67%	0.673	81%	0.808	S	S	*	*			trans	-80.4	121.8	-174.9	174.9	0	0	0	0	110.6	L12	V10-L12 HydrophobicContact CG1-CB 4.43Å; V10-L12 HydrophobicContact CG1-CD1 4.11Å
11	T	48.9	Very low	43.1	Very low	123 Å²	123	160.7 Å²	160.7	76%	0.755	81%	0.813	S	S	*	*			trans	-125.9	79.4	160.4	40.3	0	0	0	0	109.8	F13	T11-F13 VanDerWaalsContact C-N 3.34Å; T11-F13 PolarHBondContact O-N 3.37Å
12	L	46.1	Very low	42.6	Very low	144 Å²	144	154.1 Å²	154.1	75%	0.754	80%	0.796	S	S	*	*			trans	-68.7	92.2	167.8	-119.6	86.2	0	0	0	109	V10 T14	V10-L12 HydrophobicContact CG1-CB 4.43Å; V10-L12 HydrophobicContact CG1-CD1 4.11Å; L12-T14 VanDerWaalsContact C-N 3.28Å; L12-T14 HydrophobicContact CD2-CG2 4.49Å; L12-T14 PolarHBondContact O-N 3.27Å
13	F	46.1	Very low	41.9	Very low	177 Å²	177	150.9 Å²	150.9	78%	0.776	79%	0.786	S	S	*	*			trans	-76.1	83.6	165.4	-107.5	-89.5	0	0	0	109.1	T11 Y15	T11-F13 VanDerWaalsContact C-N 3.34Å; T11-F13 PolarHBondContact O-N 3.37Å; F13-Y15 PolarHBondContact O-N 3.03Å
14	T	44.7	Very low	41.2	Very low	114 Å²	114	147.2 Å²	147.2	70%	0.699	77%	0.768	S	S	*	*			trans	-66.1	94.8	168	26.5	0	0	0	0	109.6	L12 C16	L12-T14 VanDerWaalsContact C-N 3.28Å; L12-T14 HydrophobicContact CD2-CG2 4.49Å; L12-T14 PolarHBondContact O-N 3.27Å; T14-C16 PolarHBondContact O-N 3.01Å
15	Y	41.5	Very low	40.9	Very low	193 Å²	193	145.2 Å²	145.2	76%	0.757	74%	0.737	S	S	*	*			trans	-67.7	78.2	169.4	-119.3	-90.9	0	0	0	109.8	F13 L17	F13-Y15 PolarHBondContact O-N 3.03Å; Y15-L17 VanDerWaalsContact C-N 3.32Å; Y15-L17 HydrophobicContact CD1-CD2 4.31Å; Y15-L17 HydrophobicContact CD1-CG 4.39Å; Y15-L17 PolarHBondContact O-N 3.36Å
16	C	42.5	Very low	40.7	Very low	104 Å²	104	134 Å²	134	70%	0.703	70%	0.696	S	S	*	*			trans	-70.3	90.1	170.7	-114.8	0	0	0	0	108.7	T14 T18	T14-C16 PolarHBondContact O-N 3.01Å; C16-T18 HydrophobicContact CB-CG2 4.46Å; C16-T18 PolarHBondContact O-N 2.76Å
17	L	38.2	Very low	40.7	Very low	149 Å²	149	127.6 Å²	127.6	78%	0.78	66%	0.656	S	S	*	*			trans	-71.1	69.2	168.6	-73.2	169.4	0	0	0	110	Y15 F19	Y15-L17 VanDerWaalsContact C-N 3.32Å; Y15-L17 HydrophobicContact CD1-CD2 4.31Å; Y15-L17 HydrophobicContact CD1-CG 4.39Å; Y15-L17 PolarHBondContact O-N 3.36Å; L17-F19 PolarHBondContact O-N 2.88Å
18	T	40.2	Very low	40.8	Very low	107 Å²	107	122.4 Å²	122.4	66%	0.656	63%	0.63	S	S	*	*			trans	-75.7	121.7	171.1	47.9	0	0	0	0	109.7	C16 E20	C16-T18 HydrophobicContact CB-CG2 4.46Å; C16-T18 PolarHBondContact O-N 2.76Å; T18-E20 PolarHBondContact O-N 3.33Å
19	F	33.3	Very low	41.2	Very low	207 Å²	207	120.9 Å²	120.9	91%	0.908	62%	0.617	S	S	*	*			trans	-49.6	103.7	173.8	-85.2	-118.3	0	0	0	112.1	L17	L17-F19 PolarHBondContact O-N 2.88Å
20	E	31.5	Very low	42.2	Very low	188 Å²	188	113.4 Å²	113.4	88%	0.879	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-79.7	122.6	161.8	-72.8	-156	146.6	0	0	110.2	T18 A22	T18-E20 PolarHBondContact O-N 3.33Å; E20-A22 PolarHBondContact O-N 2.88Å
21	R	30.8	Very low	44	Very low	239 Å²	239	113.1 Å²	113.1	90%	0.902	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-69.3	122.4	179.2	-69.4	172.2	170.9	170.6	-3.4	109.6	S23	R21-S23 PolarHBondContact O-N 3.11Å
22	A	29.8	Very low	45.7	Very low	95 Å²	95	108.5 Å²	108.5	79%	0.785	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-55.9	127.9	171	0	0	0	0	0	111.2	E20	E20-A22 PolarHBondContact O-N 2.88Å
23	S	28.8	Very low	47.9	Very low	86 Å²	86	101.9 Å²	101.9	60%	0.601	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-87.3	149.5	-171.5	-124.5	0	0	0	0	112.3	R21 W25	R21-S23 PolarHBondContact O-N 3.11Å; S23-W25 PolarHBondContact OG-NE1 2.79Å
24	T	28.8	Very low	50	Low	67 Å²	67	100.3 Å²	100.3	41%	0.411	51%	0.506	S	S	.	.			trans	-137.2	107.5	-166.8	47.3	0	0	0	0	113.3	T212 P214	T24-T212 CarbonylContact C-O 3.36Å; T24-T212 WeakPolarHBondContact CA-O 3.29Å; T24-T212 WeakPolarHBondContact CB-O 3.39Å; T24-P214 WeakPolarHBondContact O-CD 3.48Å; T24-P214 WeakPolarHBondContact OG1-CD 3.38Å
25	W	37.7	Very low	52.3	Low	34 Å²	34	98.9 Å²	98.9	13%	0.129	50%	0.495	C	S	.	.			trans	-147.2	79.6	-164.2	-49.3	111.9	0	0	0	119.5	S23 R166 D168 I211 T212	S23-W25 PolarHBondContact OG-NE1 2.79Å; W25-R166 HydrophobicContact CE3-CB 4.35Å; W25-R166 HydrophobicContact CE3-CG 4.32Å; W25-R166 HydrophobicContact CH2-CG 4.39Å; W25-R166 VanDerWaalsContact CH2-CZ 3.42Å; W25-R166 HydrophobicContact CZ3-CB 4.01Å; W25-R166 HydrophobicContact CZ3-CG 3.55Å; W25-R166 VanDerWaalsContact CZ3-NE 3.32Å; W25-D168 HydrophobicContact CD2-CB 4.28Å; W25-D168 HydrophobicContact CE3-CB 3.8Å; W25-D168 HydrophobicContact CH2-CB 3.8Å; W25-D168 WeakPolarHBondContact CH2-OD1 3.28Å; W25-D168 WeakPolarHBondContact CH2-OD2 3.12Å; W25-D168 HydrophobicContact CZ2-CB 4.27Å; W25-D168 WeakPolarHBondContact CZ2-OD2 3.24Å; W25-D168 HydrophobicContact CZ3-CB 3.48Å; W25-D168 VanDerWaalsContact CZ3-CB 3.48Å; W25-D168 WeakPolarHBondContact CZ3-OD1 3.36Å; W25-I211 CarbonylContact O-C 3.5Å; W25-I211 WeakPolarHBondContact O-CA 3.38Å; W25-I211 WeakPolarHBondContact O-CB 3.19Å; W25-I211 PolarHBondContact O-N 2.72Å; W25-T212 VanDerWaalsContact N-C 3.31Å; W25-T212 PolarHBondContact N-O 2.97Å; W25-T212 PolarHBondContact O-N 2.9Å
26	L	46.4	Very low	54.8	Low	4 Å²	4	93.2 Å²	93.2	2%	0.021	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	166.6	166	-138.4	135.7	0	0	0	109.5	R28 I161 I211 T212 D216 V247	L26-R28 PolarHBondContact O-N 2.98Å; L26-I161 HydrophobicContact CD2-CB 4.43Å; L26-I161 HydrophobicContact CD2-CD1 3.69Å; L26-I211 VanDerWaalsContact CA-C 3.46Å; L26-I211 WeakPolarHBondContact CB-O 3.47Å; L26-I211 WeakPolarHBondContact CD1-O 3.48Å; L26-I211 WeakPolarHBondContact CG-O 3.27Å; L26-T212 HydrophobicContact CD1-CG2 4.16Å; L26-T212 VanDerWaalsContact N-CA 3.28Å; L26-D216 HydrophobicContact CB-CB 4.14Å; L26-D216 WeakPolarHBondContact CB-OD2 3.39Å; L26-D216 HydrophobicContact CD1-CB 4.35Å; L26-V247 HydrophobicContact CD1-CG1 4.09Å; L26-V247 HydrophobicContact CD1-CG2 4.19Å
27	V	52.4	Low	57.3	Low	0 Å²	0	91.9 Å²	91.9	0%	0	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	21.6	178.7	-138.1	0	0	0	0	115.4	K29 G30 K182 D216	V27-K29 PolarHBondContact O-N 3.25Å; V27-G30 PolarHBondContact O-N 2.83Å; V27-K182 HydrophobicContact CB-CB 3.98Å; V27-K182 HydrophobicContact CB-CD 4.21Å; V27-K182 HydrophobicContact CG1-CB 3.24Å; V27-K182 HydrophobicContact CG1-CD 4.08Å; V27-K182 HydrophobicContact CG1-CG 4.28Å; V27-K182 HydrophobicContact CG2-CB 4.37Å; V27-D216 WeakPolarHBondContact CG2-OD1 3.43Å
28	R	50.7	Low	60	Low	99 Å²	99	87.4 Å²	87.4	37%	0.374	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	107.4	166.7	-166.8	-174.2	-169.7	-175.1	5.6	110.5	L26 N169 G209 Q210	L26-R28 PolarHBondContact O-N 2.98Å; R28-N169 HydrophobicContact CG-CB 3.97Å; R28-N169 PolarHBondContact NE-ND2 3.13Å; R28-N169 PolarHBondContact NE-OD1 3.37Å; R28-N169 PolarHBondContact NH2-OD1 2.82Å; R28-G209 WeakPolarHBondContact CB-O 3.43Å; R28-G209 WeakPolarHBondContact CD-O 3.34Å; R28-Q210 WeakPolarHBondContact O-CG 3.46Å
29	K	56.6	Low	62.7	Low	131 Å²	131	82.5 Å²	82.5	57%	0.57	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	17.6	-168.7	-42.3	176.4	-177.4	178.5	0	116	V27 V207 F208	V27-K29 PolarHBondContact O-N 3.25Å; K29-V207 PolarHBondContact NZ-O 2.93Å; K29-F208 HydrophobicContact CB-CD1 3.95Å; K29-F208 HydrophobicContact CD-CD1 3.76Å; K29-F208 HydrophobicContact CD-CE1 4.44Å
30	G	67.7	Low	65.7	Low	9 Å²	9	73.3 Å²	73.3	9%	0.093	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-73.8	159.4	165.5	0	0	0	0	0	111	V27 K183	V27-G30 PolarHBondContact O-N 2.83Å; G30-K183 CarbonylContact C-O 3.39Å; G30-K183 VanDerWaalsContact CA-O 3.27Å; G30-K183 WeakPolarHBondContact CA-O 3.47Å
31	E	80.5	Confident	68.9	Low	105 Å²	105	64.5 Å²	64.5	49%	0.491	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127.6	-176.9	-169.2	-168	136	0	0	109.3	V33 K182 K183	E31-V33 PolarHBondContact O-N 2.84Å; E31-K182 CarbonylContact O-C 3.58Å; E31-K182 VanDerWaalsContact O-CA 3.26Å; E31-K182 WeakPolarHBondContact O-CA 3.18Å; E31-K183 HydrophobicContact CB-CG 4.05Å; E31-K183 PolarHBondContact N-O 3.49Å; E31-K183 PolarHBondContact O-N 2.96Å; E31-K183 WeakPolarHBondContact OE1-CE 3.42Å; E31-K183 IonicContact OE1-NZ 2.72Å; E31-K183 PolarHBondContact OE1-NZ 2.95Å; E31-K183 WeakPolarHBondContact OE2-CE 3.35Å; E31-K183 IonicContact OE2-NZ 3.94Å
32	P	86.4	Confident	72.1	Confident	26 Å²	26	53.2 Å²	53.2	17%	0.169	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	127.3	167.8	-18.3	31	0	0	0	109.8	Q34 K182	P32-Q34 PolarHBondContact O-N 3.07Å; P32-Q34 PolarHBondContact O-NE2 2.91Å; P32-K182 HydrophobicContact CB-CG 4.45Å
33	V	90.7	Very high	75.4	Confident	6 Å²	6	48.7 Å²	48.7	4%	0.036	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-64.7	123.5	176.8	174.3	0	0	0	0	108.4	E31 D35 E38 F39 L83 L181 K183	E31-V33 PolarHBondContact O-N 2.84Å; V33-D35 WeakPolarHBondContact CG1-O 3.32Å; V33-E38 HydrophobicContact CG1-CB 4.07Å; V33-F39 HydrophobicContact CG1-CD2 4.34Å; V33-F39 HydrophobicContact CG2-CD2 3.9Å; V33-F39 HydrophobicContact CG2-CE2 3.98Å; V33-L83 HydrophobicContact CB-CD2 4.14Å; V33-L83 HydrophobicContact CG1-CD2 3.8Å; V33-L83 WeakPolarHBondContact O-CD2 3.41Å; V33-L181 HydrophobicContact CB-CB 4.32Å; V33-L181 HydrophobicContact CB-CD2 3.91Å; V33-L181 HydrophobicContact CB-CG 3.96Å; V33-L181 HydrophobicContact CG1-CD2 3.96Å; V33-L181 HydrophobicContact CG2-CD2 3.99Å; V33-L181 HydrophobicContact CG2-CG 3.77Å; V33-L181 PolarHBondContact N-O 3.4Å; V33-K183 HydrophobicContact CG2-CB 4.11Å; V33-K183 HydrophobicContact CG2-CD 4.19Å; V33-K183 HydrophobicContact CG2-CG 4.25Å
34	Q	90.5	Very high	78.6	Confident	144 Å²	144	44.9 Å²	44.9	67%	0.673	22%	0.218	S	C	*	.	S	Bend	trans	-89.2	-31	-178.3	-58.3	-55.8	-57.4	0	0	112.2	P32 L83	P32-Q34 PolarHBondContact O-N 3.07Å; P32-Q34 PolarHBondContact O-NE2 2.91Å; Q34-L83 WeakPolarHBondContact O-CD1 3.35Å
35	D	93.7	Very high	81.8	Confident	84 Å²	84	41.8 Å²	41.8	45%	0.449	20%	0.199	S	C	.	.			trans	-112.5	120.5	-179.9	-172.1	-19.6	0	0	0	110.4	V33 T37 E38	V33-D35 WeakPolarHBondContact CG1-O 3.32Å; D35-T37 PolarHBondContact O-N 2.94Å; D35-T37 VanDerWaalsContact O-N 3.09Å; D35-T37 WeakPolarHBondContact OD1-CB 3.28Å; D35-T37 PolarHBondContact OD1-N 3.07Å; D35-T37 PolarHBondContact OD1-OG1 3.48Å; D35-T37 PolarHBondContact OD2-OG1 3.36Å; D35-T37 VanDerWaalsContact OD2-OG1 3.1Å; D35-E38 WeakPolarHBondContact O-CB 3.15Å; D35-E38 PolarHBondContact O-N 2.95Å
36	R	93.3	Very high	84.5	Confident	73 Å²	73	43.3 Å²	43.3	28%	0.275	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17	177.7	69.2	-174.8	65.1	176.6	7.2	113.7	L81 L83 Q89	R36-L81 HydrophobicContact CB-CB 4.3Å; R36-L81 WeakPolarHBondContact CD-O 3.36Å; R36-L81 HydrophobicContact CG-CB 4.22Å; R36-L81 WeakPolarHBondContact O-CD2 3.39Å; R36-L83 HydrophobicContact CB-CD2 4.06Å; R36-L83 HydrophobicContact CB-CG 4.06Å; R36-Q89 PolarHBondContact NH1-O 3.23Å
37	T	94.5	Very high	86.6	Confident	76 Å²	76	43.4 Å²	43.4	47%	0.466	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.7	177.2	74.4	0	0	0	0	113.7	D35 P40	D35-T37 PolarHBondContact O-N 2.94Å; D35-T37 VanDerWaalsContact O-N 3.09Å; D35-T37 WeakPolarHBondContact OD1-CB 3.28Å; D35-T37 PolarHBondContact OD1-N 3.07Å; D35-T37 PolarHBondContact OD1-OG1 3.48Å; D35-T37 PolarHBondContact OD2-OG1 3.36Å; D35-T37 VanDerWaalsContact OD2-OG1 3.1Å; T37-P40 VanDerWaalsContact O-CD 3.27Å; T37-P40 WeakPolarHBondContact O-CD 3.34Å
38	E	95.3	Very high	88.2	Confident	55 Å²	55	49.1 Å²	49.1	26%	0.257	23%	0.232	S	C	.	.	S	Bend	trans	-66.1	-39.9	177.1	-168.5	-178.5	178	0	0	111.7	V33 D35 P40 K183 Q226	V33-E38 HydrophobicContact CG1-CB 4.07Å; D35-E38 WeakPolarHBondContact O-CB 3.15Å; D35-E38 PolarHBondContact O-N 2.95Å; E38-P40 WeakPolarHBondContact O-CD 3.38Å; E38-K183 WeakPolarHBondContact OE1-CD 3.45Å; E38-K183 WeakPolarHBondContact OE1-CE 3.42Å; E38-K183 IonicContact OE1-NZ 3.23Å; E38-K183 PolarHBondContact OE1-NZ 3.03Å; E38-K183 IonicContact OE2-NZ 2.9Å; E38-K183 PolarHBondContact OE2-NZ 2.79Å; E38-Q226 PolarHBondContact O-NE2 3.24Å
39	F	96.7	Very high	89.6	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.018	25%	0.252	C	S	.	.	S	Bend	trans	-123.8	64.4	177.2	-65.4	-89.5	0	0	0	110.8	V33 Y41 I42 V162 K183 L222 P225	V33-F39 HydrophobicContact CG1-CD2 4.34Å; V33-F39 HydrophobicContact CG2-CD2 3.9Å; V33-F39 HydrophobicContact CG2-CE2 3.98Å; F39-Y41 AromaticContact CD1-CZ 3.96Å; F39-Y41 WeakPolarHBondContact CD1-OH 3.45Å; F39-Y41 PolarHBondContact O-N 3.12Å; F39-I42 HydrophobicContact CB-CB 4.13Å; F39-I42 HydrophobicContact CB-CG2 4.08Å; F39-I42 WeakPolarHBondContact O-CB 3.49Å; F39-I42 WeakPolarHBondContact O-CG2 3.41Å; F39-I42 PolarHBondContact O-N 2.93Å; F39-V162 HydrophobicContact CB-CG2 4.47Å; F39-V162 HydrophobicContact CD1-CB 4.11Å; F39-V162 HydrophobicContact CD1-CG1 3.87Å; F39-V162 HydrophobicContact CD1-CG2 3.95Å; F39-V162 HydrophobicContact CD2-CG2 4.19Å; F39-V162 HydrophobicContact CE1-CB 4.03Å; F39-V162 HydrophobicContact CE1-CG1 4.01Å; F39-V162 HydrophobicContact CE1-CG2 4.24Å; F39-V162 HydrophobicContact CE2-CG2 4.46Å; F39-V162 HydrophobicContact CG-CG2 3.94Å; F39-V162 HydrophobicContact CZ-CB 4.43Å; F39-V162 HydrophobicContact CZ-CG2 4.49Å; F39-K183 HydrophobicContact CE2-CB 3.84Å; F39-K183 HydrophobicContact CE2-CD 3.86Å; F39-K183 HydrophobicContact CE2-CG 4.46Å; F39-K183 HydrophobicContact CZ-CB 3.91Å; F39-K183 HydrophobicContact CZ-CD 4.31Å; F39-L222 HydrophobicContact CD1-CD1 4.33Å; F39-L222 HydrophobicContact CE1-CD1 4.08Å; F39-P225 HydrophobicContact CE1-CB 4.11Å; F39-P225 HydrophobicContact CZ-CB 4.21Å
40	P	97.5	Very high	90.9	Very high	14 Å²	14	51.4 Å²	51.4	9%	0.091	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	0.9	-164.3	30.4	-33	0	0	0	114.2	T37 E38 L81 G140 I141 R142	T37-P40 VanDerWaalsContact O-CD 3.27Å; T37-P40 WeakPolarHBondContact O-CD 3.34Å; E38-P40 WeakPolarHBondContact O-CD 3.38Å; P40-L81 HydrophobicContact CB-CD2 4.07Å; P40-G140 WeakPolarHBondContact CB-O 3.37Å; P40-I141 WeakPolarHBondContact O-CA 3.46Å; P40-I141 WeakPolarHBondContact O-CG2 3.16Å; P40-R142 HydrophobicContact CB-CB 4.33Å; P40-R142 HydrophobicContact CB-CG 4Å; P40-R142 HydrophobicContact CG-CB 3.93Å; P40-R142 HydrophobicContact CG-CG 3.6Å; P40-R142 PolarHBondContact O-N 3.36Å
41	Y	98.3	Very high	92	Very high	4 Å²	4	53 Å²	53	2%	0.016	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-6.5	176.7	52.3	-95.2	0	0	0	112.7	F39 S55 L56 R142 I144 P220 L222 P225	F39-Y41 AromaticContact CD1-CZ 3.96Å; F39-Y41 WeakPolarHBondContact CD1-OH 3.45Å; F39-Y41 PolarHBondContact O-N 3.12Å; Y41-S55 WeakPolarHBondContact O-CA 3.4Å; Y41-L56 PolarHBondContact O-N 3.36Å; Y41-R142 VanDerWaalsContact CA-O 3.3Å; Y41-R142 WeakPolarHBondContact CA-O 3.33Å; Y41-R142 WeakPolarHBondContact CB-O 3.43Å; Y41-I144 HydrophobicContact CD1-CB 4.09Å; Y41-I144 HydrophobicContact CD1-CD1 3.78Å; Y41-I144 HydrophobicContact CD1-CG1 4.25Å; Y41-I144 HydrophobicContact CD2-CB 3.76Å; Y41-I144 HydrophobicContact CD2-CD1 4.39Å; Y41-I144 HydrophobicContact CD2-CG1 4.01Å; Y41-I144 HydrophobicContact CD2-CG2 4.03Å; Y41-I144 HydrophobicContact CE1-CD1 3.57Å; Y41-I144 HydrophobicContact CE1-CG1 4.23Å; Y41-I144 HydrophobicContact CE2-CB 4.26Å; Y41-I144 HydrophobicContact CE2-CD1 4.19Å; Y41-I144 HydrophobicContact CE2-CG1 3.98Å; Y41-I144 HydrophobicContact CG-CB 3.65Å; Y41-I144 HydrophobicContact CG-CD1 4.19Å; Y41-I144 HydrophobicContact CG-CG1 4.13Å; Y41-I144 HydrophobicContact CG-CG2 4.3Å; Y41-P220 HydrophobicContact CE2-CG 4.49Å; Y41-L222 HydrophobicContact CE2-CD1 4.3Å; Y41-L222 HydrophobicContact CE2-CD2 4.18Å; Y41-L222 WeakPolarHBondContact OH-CD1 3.45Å; Y41-P225 WeakPolarHBondContact CE1-O 3.48Å; Y41-P225 PolarHBondContact OH-O 2.76Å
42	I	98	Very high	92.7	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.4	-175.1	-156.3	73.9	0	0	0	110.7	F39 T53 G54 F80 V162 Y164 L181 P220	F39-I42 HydrophobicContact CB-CB 4.13Å; F39-I42 HydrophobicContact CB-CG2 4.08Å; F39-I42 WeakPolarHBondContact O-CB 3.49Å; F39-I42 WeakPolarHBondContact O-CG2 3.41Å; F39-I42 PolarHBondContact O-N 2.93Å; I42-T53 HydrophobicContact CD1-CG2 3.59Å; I42-T53 HydrophobicContact CG1-CG2 3.8Å; I42-G54 WeakPolarHBondContact CD1-O 3.4Å; I42-F80 WeakPolarHBondContact O-CD1 3.18Å; I42-V162 HydrophobicContact CD1-CG1 3.73Å; I42-V162 HydrophobicContact CD1-CG2 4.21Å; I42-V162 HydrophobicContact CG1-CG2 4.32Å; I42-Y164 HydrophobicContact CG1-CE2 4.18Å; I42-Y164 HydrophobicContact CG2-CE2 4.46Å; I42-L181 HydrophobicContact CG1-CD1 4.04Å; I42-L181 HydrophobicContact CG2-CD1 3.97Å; I42-L181 HydrophobicContact CG2-CD2 3.8Å; I42-P220 VanDerWaalsContact CD1-CD 3.45Å; I42-P220 HydrophobicContact CD1-CG 3.65Å
43	A	98.2	Very high	93.2	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.4	-179.1	0	0	0	0	0	110.7	V45 T53 G54 V62 V78 S79 F80	A43-V45 HydrophobicContact CB-CG2 4.04Å; A43-T53 CarbonylContact O-C 3.58Å; A43-T53 WeakPolarHBondContact O-CA 3.47Å; A43-G54 PolarHBondContact N-O 2.86Å; A43-G54 PolarHBondContact O-N 2.91Å; A43-V62 HydrophobicContact CB-CG1 3.62Å; A43-V62 HydrophobicContact CB-CG2 4.24Å; A43-V78 HydrophobicContact CB-CG1 4Å; A43-S79 CarbonylContact C-O 3.54Å; A43-S79 WeakPolarHBondContact CA-O 3.5Å; A43-F80 HydrophobicContact CB-CD1 4.23Å; A43-F80 HydrophobicContact CB-CE1 3.68Å; A43-F80 HydrophobicContact CB-CZ 4.34Å
44	F	97	Very high	93.5	Very high	5 Å²	5	46.8 Å²	46.8	2%	0.022	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	114.1	158.1	-172.4	-103	0	0	0	108.2	R46 M51 V78 S79 T82 N85 Y164	F44-R46 HydrophobicContact CD1-CB 4.35Å; F44-R46 HydrophobicContact CE1-CB 4.05Å; F44-R46 HydrophobicContact CE1-CG 4.39Å; F44-M51 HydrophobicContact CE1-CB 4.38Å; F44-M51 HydrophobicContact CE2-CB 3.74Å; F44-M51 HydrophobicContact CE2-CG 4.23Å; F44-M51 HydrophobicContact CE2-SD 3.75Å; F44-M51 HydrophobicContact CZ-CB 3.54Å; F44-M51 HydrophobicContact CZ-CG 4.26Å; F44-M51 HydrophobicContact CZ-SD 3.79Å; F44-V78 CarbonylContact O-C 3.11Å; F44-V78 WeakPolarHBondContact O-CA 3.44Å; F44-S79 PolarHBondContact N-O 3.26Å; F44-S79 PolarHBondContact O-N 2.04Å; F44-T82 HydrophobicContact CB-CG2 3.76Å; F44-N85 HydrophobicContact CE1-CB 4.4Å; F44-N85 WeakPolarHBondContact CE1-OD1 3.49Å; F44-N85 HydrophobicContact CE2-CB 4.25Å; F44-N85 HydrophobicContact CZ-CB 3.78Å; F44-Y164 HydrophobicContact CB-CD2 4.33Å; F44-Y164 HydrophobicContact CB-CE1 4.37Å; F44-Y164 HydrophobicContact CB-CE2 3.89Å; F44-Y164 AromaticContact CD2-CD1 3.71Å; F44-Y164 HydrophobicContact CD2-CD1 3.71Å; F44-Y164 AromaticContact CD2-CD2 3.76Å; F44-Y164 HydrophobicContact CD2-CD2 3.76Å; F44-Y164 HydrophobicContact CD2-CE1 4.06Å; F44-Y164 HydrophobicContact CD2-CE2 4.13Å; F44-Y164 AromaticContact CD2-CG 3.54Å; F44-Y164 HydrophobicContact CD2-CG 3.54Å; F44-Y164 HydrophobicContact CE2-CD1 4.29Å; F44-Y164 HydrophobicContact CE2-CG 4.13Å
45	V	96.6	Very high	93.9	Very high	2 Å²	2	40 Å²	40	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.4	-176	-178.2	0	0	0	0	108.5	A43 M51 C52 V62 V75	A43-V45 HydrophobicContact CB-CG2 4.04Å; V45-M51 CarbonylContact O-C 3.05Å; V45-M51 WeakPolarHBondContact O-CA 3.28Å; V45-C52 HydrophobicContact CB-CB 4.17Å; V45-C52 PolarHBondContact N-O 3.35Å; V45-C52 PolarHBondContact O-N 2.03Å; V45-V62 HydrophobicContact CG2-CG1 4.18Å; V45-V75 HydrophobicContact CG1-CG1 3.82Å; V45-V75 HydrophobicContact CG1-CG2 4.05Å
46	R	93.9	Very high	94.2	Very high	67 Å²	67	36 Å²	36	25%	0.253	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.4	-173.1	-171	179.4	73.1	74.4	-3.2	111.9	F44 E48 V75 V76 Q77	F44-R46 HydrophobicContact CD1-CB 4.35Å; F44-R46 HydrophobicContact CE1-CB 4.05Å; F44-R46 HydrophobicContact CE1-CG 4.39Å; R46-E48 IonicContact CZ-OE1 3.49Å; R46-E48 IonicContact NH1-OE1 3.73Å; R46-E48 PolarHBondContact NH1-OE1 3.28Å; R46-E48 IonicContact NH2-OE1 2.7Å; R46-V75 WeakPolarHBondContact O-CA 3.49Å; R46-V75 WeakPolarHBondContact O-CG1 3.47Å; R46-V76 HydrophobicContact CG-CG2 4.5Å; R46-V76 VanDerWaalsContact CZ-CG2 3.42Å; R46-V76 VanDerWaalsContact NH1-CG2 3.3Å; R46-V76 VanDerWaalsContact O-CG2 3.32Å; R46-V76 WeakPolarHBondContact O-CG2 3.2Å; R46-V76 PolarHBondContact O-N 3.26Å; R46-Q77 HydrophobicContact CB-CB 4.33Å; R46-Q77 PolarHBondContact N-O 3.43Å; R46-Q77 PolarHBondContact O-N 2.79Å
47	T	90.2	Very high	94.4	Very high	6 Å²	6	33 Å²	33	4%	0.037	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	176.4	159.8	80.9	0	0	0	0	109.5	R49 T50 P74	T47-R49 PolarHBondContact O-N 3.37Å; T47-R49 VanDerWaalsContact O-N 3.12Å; T47-R49 PolarHBondContact OG1-N 3.33Å; T47-T50 WeakPolarHBondContact CG2-OG1 3.07Å; T47-T50 PolarHBondContact N-O 3.34Å; T47-T50 PolarHBondContact OG1-N 3.15Å; T47-T50 PolarHBondContact OG1-O 3.44Å; T47-T50 PolarHBondContact OG1-OG1 2.9Å; T47-P74 WeakPolarHBondContact CA-O 2.99Å; T47-P74 WeakPolarHBondContact CB-O 3.01Å
48	E	85.6	Confident	94.6	Very high	120 Å²	120	30.2 Å²	30.2	56%	0.561	14%	0.14	S	C	*	.	S	Bend	trans	-64.1	-11.6	175.3	-72.6	-58.3	110.6	0	0	115.3	R46 V76	R46-E48 IonicContact CZ-OE1 3.49Å; R46-E48 IonicContact NH1-OE1 3.73Å; R46-E48 PolarHBondContact NH1-OE1 3.28Å; R46-E48 IonicContact NH2-OE1 2.7Å; E48-V76 HydrophobicContact CG-CG1 4Å; E48-V76 WeakPolarHBondContact OE1-CG2 3.35Å
49	R	81	Confident	94.7	Very high	210 Å²	210	29.9 Å²	29.9	79%	0.792	14%	0.142	S	C	*	.	S	Bend	trans	-136.6	-11.6	178.5	-65.2	-169.2	-167	-167	-0.9	115.7	T47 M73	T47-R49 PolarHBondContact O-N 3.37Å; T47-R49 VanDerWaalsContact O-N 3.12Å; T47-R49 PolarHBondContact OG1-N 3.33Å; R49-M73 HydrophobicContact CB-CE 3.82Å; R49-M73 HydrophobicContact CB-SD 3.92Å; R49-M73 WeakPolarHBondContact CD-SD 3.38Å; R49-M73 HydrophobicContact CG-CE 4.03Å; R49-M73 HydrophobicContact CG-SD 3.49Å; R49-M73 WeakPolarHBondContact CG-SD 3.25Å
50	T	84.2	Confident	94.8	Very high	68 Å²	68	34.7 Å²	34.7	42%	0.417	16%	0.16	S	C	.	.			trans	-133.5	152.2	-176	61.6	0	0	0	0	110.7	T47	T47-T50 WeakPolarHBondContact CG2-OG1 3.07Å; T47-T50 PolarHBondContact N-O 3.34Å; T47-T50 PolarHBondContact OG1-N 3.15Å; T47-T50 PolarHBondContact OG1-O 3.44Å; T47-T50 PolarHBondContact OG1-OG1 2.9Å
51	M	90.3	Very high	94.8	Very high	41 Å²	41	34 Å²	34	20%	0.202	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.1	165.1	58.8	-171.7	175	0	0	108.8	F44 V45 A177 G179 G215	F44-M51 HydrophobicContact CE1-CB 4.38Å; F44-M51 HydrophobicContact CE2-CB 3.74Å; F44-M51 HydrophobicContact CE2-CG 4.23Å; F44-M51 HydrophobicContact CE2-SD 3.75Å; F44-M51 HydrophobicContact CZ-CB 3.54Å; F44-M51 HydrophobicContact CZ-CG 4.26Å; F44-M51 HydrophobicContact CZ-SD 3.79Å; V45-M51 CarbonylContact O-C 3.05Å; V45-M51 WeakPolarHBondContact O-CA 3.28Å; M51-A177 WeakPolarHBondContact CE-O 3.44Å; M51-G179 VanDerWaalsContact CE-N 3.33Å; M51-G215 WeakPolarHBondContact O-CA 3.1Å
52	C	94.6	Very high	94.8	Very high	7 Å²	7	33.9 Å²	33.9	5%	0.047	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	167.1	173.4	-81.9	0	0	0	0	108.7	V45 C68 G215 S217	V45-C52 HydrophobicContact CB-CB 4.17Å; V45-C52 PolarHBondContact N-O 3.35Å; V45-C52 PolarHBondContact O-N 2.03Å; C52-C68 HydrophobicContact CB-CB 3.78Å; C52-C68 WeakPolarHBondContact CB-SG 3.26Å; C52-C68 WeakPolarHBondContact SG-CB 3.47Å; C52-C68 CovalentContact SG-SG 2.04Å; C52-C68 PolarHBondContact SG-SG 2.97Å; C52-G215 CarbonylContact C-O 3.43Å; C52-G215 VanDerWaalsContact C-O 3.31Å; C52-S217 CarbonylContact C-O 3.59Å; C52-S217 WeakPolarHBondContact CA-O 3.48Å; C52-S217 WeakPolarHBondContact CB-O 3.48Å; C52-S217 VanDerWaalsContact SG-CB 3.52Å
53	T	96.7	Very high	94.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	160.2	167.5	-54.6	0	0	0	0	108.8	I42 A43 T64 G163 Y164 G215 S217 G218	I42-T53 HydrophobicContact CD1-CG2 3.59Å; I42-T53 HydrophobicContact CG1-CG2 3.8Å; A43-T53 CarbonylContact O-C 3.58Å; A43-T53 WeakPolarHBondContact O-CA 3.47Å; T53-T64 PolarHBondContact O-OG1 2.83Å; T53-G163 WeakPolarHBondContact OG1-CA 3.33Å; T53-Y164 HydrophobicContact CG2-CD2 4.09Å; T53-Y164 HydrophobicContact CG2-CE2 4.35Å; T53-Y164 WeakPolarHBondContact OG1-CD2 3.38Å; T53-Y164 PolarHBondContact OG1-N 3.31Å; T53-Y164 VanDerWaalsContact OG1-N 3.16Å; T53-G215 PolarHBondContact N-O 2.72Å; T53-G215 PolarHBondContact OG1-O 2.72Å; T53-S217 PolarHBondContact N-O 2.84Å; T53-G218 CarbonylContact O-C 3.49Å; T53-G218 VanDerWaalsContact O-CA 3.29Å; T53-G218 WeakPolarHBondContact O-CA 3.16Å
54	G	98.1	Very high	94.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-177	167	0	0	0	0	0	111	I42 A43 L63	I42-G54 WeakPolarHBondContact CD1-O 3.4Å; A43-G54 PolarHBondContact N-O 2.86Å; A43-G54 PolarHBondContact O-N 2.91Å; G54-L63 CarbonylContact C-O 3.52Å; G54-L63 WeakPolarHBondContact CA-O 3.43Å
55	S	98.7	Very high	94.9	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.4	175.3	56.6	0	0	0	0	112.2	Y41 V57 V62 L63	Y41-S55 WeakPolarHBondContact O-CA 3.4Å; S55-V57 PolarHBondContact O-N 3.34Å; S55-V62 CarbonylContact O-C 3.48Å; S55-V62 VanDerWaalsContact O-CA 3.29Å; S55-V62 WeakPolarHBondContact O-CA 3.48Å; S55-L63 PolarHBondContact N-O 3.06Å; S55-L63 PolarHBondContact O-N 2.85Å
56	L	98.8	Very high	94.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	109.1	177.6	-170.3	71.9	0	0	0	110.3	Y41 S58 V62 F80 L131 V135 I141 R142 V143 I144	Y41-L56 PolarHBondContact O-N 3.36Å; L56-S58 WeakPolarHBondContact CD1-O 3.24Å; L56-S58 WeakPolarHBondContact CG-O 3.3Å; L56-V62 HydrophobicContact CD1-CG2 3.92Å; L56-F80 HydrophobicContact CB-CE1 3.83Å; L56-F80 HydrophobicContact CB-CZ 4.32Å; L56-F80 HydrophobicContact CD1-CE1 4.15Å; L56-F80 HydrophobicContact CD1-CZ 3.75Å; L56-F80 HydrophobicContact CG-CE1 4.41Å; L56-F80 HydrophobicContact CG-CZ 4.46Å; L56-L131 HydrophobicContact CD1-CD1 4.1Å; L56-V135 HydrophobicContact CD1-CG2 3.86Å; L56-V135 HydrophobicContact CD2-CB 4.06Å; L56-V135 HydrophobicContact CD2-CG1 3.95Å; L56-V135 HydrophobicContact CD2-CG2 3.85Å; L56-I141 HydrophobicContact CD2-CG2 3.6Å; L56-R142 WeakPolarHBondContact CD2-O 3.14Å; L56-V143 HydrophobicContact CD2-CG2 4.01Å; L56-V143 HydrophobicContact CG-CG2 4.24Å; L56-V143 CarbonylContact O-C 3.58Å; L56-V143 WeakPolarHBondContact O-CA 3.39Å; L56-I144 PolarHBondContact O-N 3.41Å
57	V	98.5	Very high	94.8	Very high	10 Å²	10	33 Å²	33	6%	0.061	15%	0.153	C	C	.	.			trans	-108.5	-10.3	-175.9	-67.6	0	0	0	0	113.8	S55 A61 L63 V143 I144 L146 I263	S55-V57 PolarHBondContact O-N 3.34Å; V57-A61 HydrophobicContact CG2-CB 4.4Å; V57-A61 WeakPolarHBondContact CG2-O 3.42Å; V57-A61 PolarHBondContact N-O 3.48Å; V57-L63 HydrophobicContact CB-CB 4.49Å; V57-L63 HydrophobicContact CG1-CB 3.74Å; V57-L63 HydrophobicContact CG1-CD2 4.12Å; V57-L63 HydrophobicContact CG2-CB 3.89Å; V57-V143 VanDerWaalsContact C-CG1 3.43Å; V57-V143 WeakPolarHBondContact O-CG1 3.07Å; V57-I144 HydrophobicContact CG1-CG2 4.05Å; V57-L146 HydrophobicContact CB-CD2 4.05Å; V57-L146 HydrophobicContact CG1-CD2 3.79Å; V57-I263 HydrophobicContact CG2-CG2 3.6Å
58	S	98.2	Very high	94.9	Very high	19 Å²	19	33 Å²	33	13%	0.133	15%	0.153	C	C	.	.	S	Bend	trans	-144.1	173.6	160.3	83.2	0	0	0	0	109.1	L56 R60 A61 I263	L56-S58 WeakPolarHBondContact CD1-O 3.24Å; L56-S58 WeakPolarHBondContact CG-O 3.3Å; S58-R60 PolarHBondContact O-N 3.09Å; S58-R60 PolarHBondContact OG-N 3.02Å; S58-R60 VanDerWaalsContact OG-N 3.12Å; S58-A61 PolarHBondContact N-O 3.28Å; S58-A61 PolarHBondContact O-N 2.92Å; S58-A61 WeakPolarHBondContact OG-CB 3.49Å; S58-A61 PolarHBondContact OG-N 2.83Å; S58-I263 VanDerWaalsContact CB-OXT 3.29Å; S58-I263 WeakPolarHBondContact CB-OXT 3.21Å; S58-I263 PolarHBondContact OG-OXT 3.35Å
59	T	98.1	Very high	95.4	Very high	48 Å²	48	27.7 Å²	27.7	29%	0.294	13%	0.129	S	C	.	.	S	Bend	trans	-64.2	-6.5	174.7	56.8	0	0	0	0	113.9	M134 V135 L137 V143	T59-M134 CarbonylContact O-C 3.56Å; T59-M134 VanDerWaalsContact O-CA 3.3Å; T59-M134 WeakPolarHBondContact O-CA 3.47Å; T59-V135 PolarHBondContact O-N 2.77Å; T59-L137 HydrophobicContact CG2-CD1 4.07Å; T59-L137 HydrophobicContact CG2-CD2 4.44Å; T59-L137 HydrophobicContact CG2-CG 4.32Å; T59-V143 HydrophobicContact CG2-CG2 4.29Å
60	R	97.9	Very high	95.8	Very high	105 Å²	105	17.8 Å²	17.8	40%	0.396	9%	0.092	S	C	.	.	S	Bend	trans	-129.4	-7.4	178.4	-164.1	175.2	-74.1	-178	-5.5	114.2	S58 M130 L131	S58-R60 PolarHBondContact O-N 3.09Å; S58-R60 PolarHBondContact OG-N 3.02Å; S58-R60 VanDerWaalsContact OG-N 3.12Å; R60-M130 HydrophobicContact CG-CE 4.29Å; R60-M130 CarbonylContact O-C 3.44Å; R60-M130 WeakPolarHBondContact O-CA 3.36Å; R60-L131 HydrophobicContact CG-CB 4.4Å; R60-L131 WeakPolarHBondContact CG-O 3.42Å; R60-L131 WeakPolarHBondContact O-CG 3.49Å; R60-L131 PolarHBondContact O-N 2.91Å
61	A	98.6	Very high	95.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.6	-173.8	0	0	0	0	0	113.4	V57 S58 M130 I263	V57-A61 HydrophobicContact CG2-CB 4.4Å; V57-A61 WeakPolarHBondContact CG2-O 3.42Å; V57-A61 PolarHBondContact N-O 3.48Å; S58-A61 PolarHBondContact N-O 3.28Å; S58-A61 PolarHBondContact O-N 2.92Å; S58-A61 WeakPolarHBondContact OG-CB 3.49Å; S58-A61 PolarHBondContact OG-N 2.83Å; A61-M130 HydrophobicContact CB-CE 4.23Å; A61-M130 HydrophobicContact CB-SD 3.8Å; A61-I263 HydrophobicContact CB-CB 3.75Å; A61-I263 HydrophobicContact CB-CG2 3.72Å
62	V	98.8	Very high	95.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.3	171.6	173	0	0	0	0	109.8	A43 V45 S55 L56 V78 F80 T128 V129 L131	A43-V62 HydrophobicContact CB-CG1 3.62Å; A43-V62 HydrophobicContact CB-CG2 4.24Å; V45-V62 HydrophobicContact CG2-CG1 4.18Å; S55-V62 CarbonylContact O-C 3.48Å; S55-V62 VanDerWaalsContact O-CA 3.29Å; S55-V62 WeakPolarHBondContact O-CA 3.48Å; L56-V62 HydrophobicContact CD1-CG2 3.92Å; V62-V78 HydrophobicContact CG2-CG1 3.95Å; V62-F80 HydrophobicContact CG2-CE1 4.03Å; V62-F80 HydrophobicContact CG2-CZ 3.59Å; V62-T128 CarbonylContact O-C 3.5Å; V62-T128 VanDerWaalsContact O-CA 3.28Å; V62-T128 WeakPolarHBondContact O-CA 3.49Å; V62-V129 HydrophobicContact CB-CB 4.44Å; V62-V129 PolarHBondContact N-O 3.28Å; V62-V129 PolarHBondContact O-N 2.76Å; V62-L131 HydrophobicContact CG2-CD2 4.38Å
63	L	98.8	Very high	94.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	133.9	171.5	-170.5	63.9	0	0	0	109.7	G54 S55 V57 I126 T128 V229 V232 V252 V259	G54-L63 CarbonylContact C-O 3.52Å; G54-L63 WeakPolarHBondContact CA-O 3.43Å; S55-L63 PolarHBondContact N-O 3.06Å; S55-L63 PolarHBondContact O-N 2.85Å; V57-L63 HydrophobicContact CB-CB 4.49Å; V57-L63 HydrophobicContact CG1-CB 3.74Å; V57-L63 HydrophobicContact CG1-CD2 4.12Å; V57-L63 HydrophobicContact CG2-CB 3.89Å; L63-I126 HydrophobicContact CD1-CG2 3.51Å; L63-T128 HydrophobicContact CD1-CG2 4.15Å; L63-V229 HydrophobicContact CD2-CG1 4.2Å; L63-V232 HydrophobicContact CD2-CG2 3.86Å; L63-V232 HydrophobicContact CG-CG2 3.85Å; L63-V252 HydrophobicContact CD2-CG1 4.2Å; L63-V252 HydrophobicContact CD2-CG2 3.76Å; L63-V259 HydrophobicContact CD1-CG1 4.18Å; L63-V259 HydrophobicContact CD1-CG2 3.94Å
64	T	98.3	Very high	94.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	-176.1	178.7	-169.2	0	0	0	0	109.7	T53 V69 A127 V129 G218 V232	T53-T64 PolarHBondContact O-OG1 2.83Å; T64-V69 HydrophobicContact CG2-CG1 4.24Å; T64-A127 HydrophobicContact CG2-CB 4.32Å; T64-A127 PolarHBondContact N-O 3.46Å; T64-A127 PolarHBondContact O-N 2.93Å; T64-V129 HydrophobicContact CG2-CG2 3.84Å; T64-G218 WeakPolarHBondContact OG1-CA 3.37Å; T64-V232 VanDerWaalsContact C-CG1 3.49Å
65	A	96.7	Very high	94.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.			trans	-82.5	150.2	179.8	0	0	0	0	0	112	H67 C68 D125 G218 V232	A65-H67 VanDerWaalsContact C-N 3.34Å; A65-H67 VanDerWaalsContact CB-CE1 3.44Å; A65-H67 WeakPolarHBondContact CB-CE1 3.3Å; A65-H67 WeakPolarHBondContact CB-ND1 3.29Å; A65-H67 PolarHBondContact O-N 2.92Å; A65-C68 WeakPolarHBondContact O-CB 3.45Å; A65-C68 PolarHBondContact O-N 2.96Å; A65-D125 WeakPolarHBondContact CA-O 3.37Å; A65-G218 VanDerWaalsContact N-CA 3.29Å; A65-V232 HydrophobicContact CB-CG1 4.04Å
66	G	95.6	Very high	94.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.6	-45.3	174	0	0	0	0	0	112.1	C68 V69 C70 D125	G66-C68 PolarHBondContact O-N 2.82Å; G66-V69 CarbonylContact O-C 3.35Å; G66-V69 WeakPolarHBondContact O-CG2 3.48Å; G66-V69 PolarHBondContact O-N 2.58Å; G66-C70 VanDerWaalsContact C-SG 3.58Å; G66-C70 PolarHBondContact O-N 3.12Å; G66-C70 PolarHBondContact O-SG 2.99Å; G66-D125 VanDerWaalsContact CA-OD1 3.24Å; G66-D125 WeakPolarHBondContact CA-OD1 3.46Å; G66-D125 PolarHBondContact N-O 2.89Å; G66-D125 PolarHBondContact N-OD1 2.82Å
67	H	92.5	Very high	94.4	Very high	58 Å²	58	29.2 Å²	29.2	27%	0.269	16%	0.163	S	C	.	.	H	α-helix	trans	-63	-25	-179.2	70.7	-93.2	0	0	0	114.2	A65 V69 Y104 D125 S217 S234	A65-H67 VanDerWaalsContact C-N 3.34Å; A65-H67 VanDerWaalsContact CB-CE1 3.44Å; A65-H67 WeakPolarHBondContact CB-CE1 3.3Å; A65-H67 WeakPolarHBondContact CB-ND1 3.29Å; A65-H67 PolarHBondContact O-N 2.92Å; H67-V69 PolarHBondContact O-N 2.79Å; H67-Y104 HydrophobicContact CB-CE1 4.32Å; H67-D125 IonicContact CE1-OD2 3.94Å; H67-D125 IonicContact CG-OD2 3.93Å; H67-D125 PolarHBondContact N-OD1 2.81Å; H67-D125 IonicContact ND1-OD1 3.84Å; H67-D125 PolarHBondContact ND1-OD1 2.79Å; H67-D125 IonicContact ND1-OD2 3.01Å; H67-D125 PolarHBondContact ND1-OD2 3.45Å; H67-S217 WeakPolarHBondContact NE2-CB 3.17Å; H67-S217 PolarHBondContact NE2-OG 3.44Å; H67-S234 PolarHBondContact CE1-O 2.79Å
68	C	93.9	Very high	94.4	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.034	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-28.2	174.1	-68.2	0	0	0	0	112.9	C52 A65 G66	C52-C68 HydrophobicContact CB-CB 3.78Å; C52-C68 WeakPolarHBondContact CB-SG 3.26Å; C52-C68 WeakPolarHBondContact SG-CB 3.47Å; C52-C68 CovalentContact SG-SG 2.04Å; C52-C68 PolarHBondContact SG-SG 2.97Å; A65-C68 WeakPolarHBondContact O-CB 3.45Å; A65-C68 PolarHBondContact O-N 2.96Å; G66-C68 PolarHBondContact O-N 2.82Å
69	V	94.3	Very high	94.3	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.055	15%	0.154	C	C	.	.	H	α-helix	trans	-118.5	-2.9	-175.2	-53.2	0	0	0	0	113.8	T64 G66 H67 S71 V75 V98 V100 A127 V129	T64-V69 HydrophobicContact CG2-CG1 4.24Å; G66-V69 CarbonylContact O-C 3.35Å; G66-V69 WeakPolarHBondContact O-CG2 3.48Å; G66-V69 PolarHBondContact O-N 2.58Å; H67-V69 PolarHBondContact O-N 2.79Å; V69-S71 PolarHBondContact O-N 3.19Å; V69-V75 HydrophobicContact CG1-CG2 3.73Å; V69-V98 HydrophobicContact CB-CB 4.32Å; V69-V98 HydrophobicContact CB-CG1 4.15Å; V69-V98 HydrophobicContact CB-CG2 4.39Å; V69-V98 HydrophobicContact CG1-CG1 4.04Å; V69-V98 HydrophobicContact CG2-CB 4.38Å; V69-V98 HydrophobicContact CG2-CG2 4.49Å; V69-V100 HydrophobicContact CG2-CG2 3.52Å; V69-A127 HydrophobicContact CG2-CB 3.45Å; V69-A127 VanDerWaalsContact CG2-CB 3.45Å; V69-V129 HydrophobicContact CG1-CG2 3.94Å
70	C	90.4	Very high	94.3	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.02	14%	0.14	C	C	.	.			trans	-62	-28	172.1	-73.1	0	0	0	0	113.2	G66 Y104 C108 R112	G66-C70 VanDerWaalsContact C-SG 3.58Å; G66-C70 PolarHBondContact O-N 3.12Å; G66-C70 PolarHBondContact O-SG 2.99Å; C70-Y104 VanDerWaalsContact SG-CE1 3.59Å; C70-C108 WeakPolarHBondContact CA-SG 3.49Å; C70-C108 HydrophobicContact CB-CB 3.59Å; C70-C108 WeakPolarHBondContact CB-SG 3.15Å; C70-C108 WeakPolarHBondContact SG-CA 3.37Å; C70-C108 WeakPolarHBondContact SG-CB 3.36Å; C70-C108 CovalentContact SG-SG 2.03Å; C70-C108 PolarHBondContact SG-SG 3.34Å; C70-R112 WeakPolarHBondContact O-CG 3.3Å; C70-R112 PolarHBondContact O-NE 2.96Å; C70-R112 PolarHBondContact O-NH2 3.26Å
71	S	81.5	Confident	94.3	Very high	27 Å²	27	21.3 Å²	21.3	19%	0.189	13%	0.125	C	C	.	.	S	Bend	trans	-54.2	147.2	-176.5	-177.2	0	0	0	0	112.5	V69 M73	V69-S71 PolarHBondContact O-N 3.19Å; S71-M73 PolarHBondContact O-N 3.46Å; S71-M73 WeakPolarHBondContact OG-CB 3.42Å; S71-M73 VanDerWaalsContact OG-CE 3.25Å; S71-M73 WeakPolarHBondContact OG-CE 3.37Å; S71-M73 PolarHBondContact OG-N 2.96Å
72	P	82.1	Confident	94.1	Very high	111 Å²	111	21.5 Å²	21.5	72%	0.721	13%	0.126	S	C	*	.	S	Bend	trans	-67.5	-13.5	165.9	30.2	-36	0	0	0	112.7
73	M	87.2	Confident	93.8	Very high	51 Å²	51	23.3 Å²	23.3	25%	0.251	14%	0.135	S	C	.	.	S	Bend	trans	-85.9	119.9	170.4	-58.6	170	-63.7	0	0	108.3	R49 S71	R49-M73 HydrophobicContact CB-CE 3.82Å; R49-M73 HydrophobicContact CB-SD 3.92Å; R49-M73 WeakPolarHBondContact CD-SD 3.38Å; R49-M73 HydrophobicContact CG-CE 4.03Å; R49-M73 HydrophobicContact CG-SD 3.49Å; R49-M73 WeakPolarHBondContact CG-SD 3.25Å; S71-M73 PolarHBondContact O-N 3.46Å; S71-M73 WeakPolarHBondContact OG-CB 3.42Å; S71-M73 VanDerWaalsContact OG-CE 3.25Å; S71-M73 WeakPolarHBondContact OG-CE 3.37Å; S71-M73 PolarHBondContact OG-N 2.96Å
74	P	92.5	Very high	93.4	Very high	86 Å²	86	29 Å²	29	56%	0.558	16%	0.157	S	C	*	.	P	Polyproline II helix	trans	-68.6	163.6	-177	30.1	-36.1	0	0	0	111.6	T47 V76	T47-P74 WeakPolarHBondContact CA-O 2.99Å; T47-P74 WeakPolarHBondContact CB-O 3.01Å; P74-V76 HydrophobicContact CG-CG1 4.29Å
75	V	96	Very high	92.9	Very high	11 Å²	11	33 Å²	33	7%	0.067	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	133.7	156.1	-175.3	0	0	0	0	106.9	V45 R46 V69 V78 P95 V98 V129	V45-V75 HydrophobicContact CG1-CG1 3.82Å; V45-V75 HydrophobicContact CG1-CG2 4.05Å; R46-V75 WeakPolarHBondContact O-CA 3.49Å; R46-V75 WeakPolarHBondContact O-CG1 3.47Å; V69-V75 HydrophobicContact CG1-CG2 3.73Å; V75-V78 HydrophobicContact CG1-CG2 4.17Å; V75-P95 HydrophobicContact CB-CB 4.46Å; V75-P95 HydrophobicContact CB-CG 4.16Å; V75-P95 HydrophobicContact CG1-CB 4.38Å; V75-P95 HydrophobicContact CG1-CG 4.09Å; V75-P95 WeakPolarHBondContact O-CG 3.28Å; V75-V98 HydrophobicContact CG2-CG1 4.48Å; V75-V129 HydrophobicContact CG1-CG1 4.32Å; V75-V129 HydrophobicContact CG2-CG2 4.16Å
76	V	96.3	Very high	92.3	Very high	31 Å²	31	36.2 Å²	36.2	19%	0.188	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-13.9	-177.5	-67.6	0	0	0	0	112.6	R46 E48 P74 Q94	R46-V76 HydrophobicContact CG-CG2 4.5Å; R46-V76 VanDerWaalsContact CZ-CG2 3.42Å; R46-V76 VanDerWaalsContact NH1-CG2 3.3Å; R46-V76 VanDerWaalsContact O-CG2 3.32Å; R46-V76 WeakPolarHBondContact O-CG2 3.2Å; R46-V76 PolarHBondContact O-N 3.26Å; E48-V76 HydrophobicContact CG-CG1 4Å; E48-V76 WeakPolarHBondContact OE1-CG2 3.35Å; P74-V76 HydrophobicContact CG-CG1 4.29Å; V76-Q94 PolarHBondContact O-OE1 2.9Å; V76-Q94 VanDerWaalsContact O-OE1 3.11Å
77	Q	96.4	Very high	91.9	Very high	40 Å²	40	37.3 Å²	37.3	19%	0.187	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	136.3	179.7	-176.5	176.8	-15.8	0	0	109.9	R46 S79 H92	R46-Q77 HydrophobicContact CB-CB 4.33Å; R46-Q77 PolarHBondContact N-O 3.43Å; R46-Q77 PolarHBondContact O-N 2.79Å; Q77-S79 PolarHBondContact NE2-OG 3.38Å; Q77-H92 PolarHBondContact NE2-ND1 3.44Å
78	V	97.7	Very high	91.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.8	163.8	-179.2	0	0	0	0	106.9	A43 F44 V62 V75 F80 H93 V129 L131	A43-V78 HydrophobicContact CB-CG1 4Å; F44-V78 CarbonylContact O-C 3.11Å; F44-V78 WeakPolarHBondContact O-CA 3.44Å; V62-V78 HydrophobicContact CG2-CG1 3.95Å; V75-V78 HydrophobicContact CG1-CG2 4.17Å; V78-F80 HydrophobicContact CG1-CE1 4.34Å; V78-F80 HydrophobicContact CG1-CE2 3.88Å; V78-F80 HydrophobicContact CG1-CZ 3.65Å; V78-H93 HydrophobicContact CB-CB 4.5Å; V78-H93 PolarHBondContact N-O 2.82Å; V78-H93 PolarHBondContact O-N 3.35Å; V78-V129 HydrophobicContact CG2-CG1 3.97Å; V78-L131 HydrophobicContact CB-CD2 3.82Å; V78-L131 HydrophobicContact CG1-CD2 4.02Å; V78-L131 HydrophobicContact CG2-CD2 3.77Å
79	S	97.6	Very high	91.6	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.007	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.4	178.7	-62.9	0	0	0	0	113	A43 F44 Q77 I91 H92	A43-S79 CarbonylContact C-O 3.54Å; A43-S79 WeakPolarHBondContact CA-O 3.5Å; F44-S79 PolarHBondContact N-O 3.26Å; F44-S79 PolarHBondContact O-N 2.04Å; Q77-S79 PolarHBondContact NE2-OG 3.38Å; S79-I91 VanDerWaalsContact CA-O 3.28Å; S79-I91 WeakPolarHBondContact CA-O 3.44Å; S79-H92 PolarHBondContact OG-ND1 2.79Å
80	F	98.1	Very high	91.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	164.3	-179.6	-55	-78.6	0	0	0	110.9	I42 A43 L56 V62 V78 T82 G90 I91 H93 L131 V135 I141	I42-F80 WeakPolarHBondContact O-CD1 3.18Å; A43-F80 HydrophobicContact CB-CD1 4.23Å; A43-F80 HydrophobicContact CB-CE1 3.68Å; A43-F80 HydrophobicContact CB-CZ 4.34Å; L56-F80 HydrophobicContact CB-CE1 3.83Å; L56-F80 HydrophobicContact CB-CZ 4.32Å; L56-F80 HydrophobicContact CD1-CE1 4.15Å; L56-F80 HydrophobicContact CD1-CZ 3.75Å; L56-F80 HydrophobicContact CG-CE1 4.41Å; L56-F80 HydrophobicContact CG-CZ 4.46Å; V62-F80 HydrophobicContact CG2-CE1 4.03Å; V62-F80 HydrophobicContact CG2-CZ 3.59Å; V78-F80 HydrophobicContact CG1-CE1 4.34Å; V78-F80 HydrophobicContact CG1-CE2 3.88Å; V78-F80 HydrophobicContact CG1-CZ 3.65Å; F80-T82 PolarHBondContact O-N 2.81Å; F80-T82 VanDerWaalsContact O-N 3.13Å; F80-G90 WeakPolarHBondContact O-CA 3.44Å; F80-I91 PolarHBondContact N-O 2.92Å; F80-I91 PolarHBondContact O-N 3.2Å; F80-H93 AromaticContact CD2-CD2 3.77Å; F80-H93 AromaticContact CE2-CD2 3.77Å; F80-L131 HydrophobicContact CE2-CD1 4.08Å; F80-L131 HydrophobicContact CZ-CD1 4.18Å; F80-V135 HydrophobicContact CE2-CG2 4.02Å; F80-V135 HydrophobicContact CZ-CG2 4.48Å; F80-I141 HydrophobicContact CB-CD1 3.64Å; F80-I141 HydrophobicContact CB-CG1 3.79Å; F80-I141 HydrophobicContact CB-CG2 4.35Å; F80-I141 HydrophobicContact CD1-CG2 4.31Å; F80-I141 HydrophobicContact CD2-CD1 3.93Å; F80-I141 HydrophobicContact CG-CD1 3.99Å; F80-I141 HydrophobicContact CG-CG1 4.37Å; F80-I141 HydrophobicContact CG-CG2 4.19Å
81	L	97.2	Very high	91.9	Very high	14 Å²	14	51.8 Å²	51.8	7%	0.073	29%	0.287	C	S	.	.	S	Bend	trans	52	33	-179.2	-52.6	-177.6	0	0	0	113	R36 P40 I91 S139 I141	R36-L81 HydrophobicContact CB-CB 4.3Å; R36-L81 WeakPolarHBondContact CD-O 3.36Å; R36-L81 HydrophobicContact CG-CB 4.22Å; R36-L81 WeakPolarHBondContact O-CD2 3.39Å; P40-L81 HydrophobicContact CB-CD2 4.07Å; L81-I91 HydrophobicContact CD1-CD1 3.96Å; L81-S139 WeakPolarHBondContact CD1-O 3.41Å; L81-I141 HydrophobicContact CD1-CG1 3.9Å; L81-I141 HydrophobicContact CD2-CG1 4.39Å; L81-I141 HydrophobicContact CG-CG1 3.82Å
82	T	94.6	Very high	92.6	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.031	30%	0.3	C	S	.	.			trans	-110.8	118.8	-174.3	173.6	0	0	0	0	108.8	F44 F80 R84 D87 Y164	F44-T82 HydrophobicContact CB-CG2 3.76Å; F80-T82 PolarHBondContact O-N 2.81Å; F80-T82 VanDerWaalsContact O-N 3.13Å; T82-R84 PolarHBondContact OG1-O 3.4Å; T82-D87 WeakPolarHBondContact OG1-CB 3.24Å; T82-Y164 HydrophobicContact CG2-CE1 4.35Å; T82-Y164 VanDerWaalsContact CG2-OH 3.32Å; T82-Y164 WeakPolarHBondContact CG2-OH 3.47Å; T82-Y164 WeakPolarHBondContact O-CE1 3.34Å; T82-Y164 PolarHBondContact O-OH 3.27Å
83	L	92.2	Very high	93.4	Very high	37 Å²	37	50.8 Å²	50.8	19%	0.194	27%	0.27	C	S	.	.	S	Bend	trans	-83.9	-19.1	179.3	-67.8	-178.8	0	0	0	112.4	V33 Q34 R36 D87 I180 L181	V33-L83 HydrophobicContact CB-CD2 4.14Å; V33-L83 HydrophobicContact CG1-CD2 3.8Å; V33-L83 WeakPolarHBondContact O-CD2 3.41Å; Q34-L83 WeakPolarHBondContact O-CD1 3.35Å; R36-L83 HydrophobicContact CB-CD2 4.06Å; R36-L83 HydrophobicContact CB-CG 4.06Å; L83-D87 PolarHBondContact N-OD2 2.9Å; L83-I180 WeakPolarHBondContact O-CA 3.18Å; L83-L181 HydrophobicContact CD2-CD2 4.15Å; L83-L181 PolarHBondContact O-N 3.42Å
84	R	90.4	Very high	93.9	Very high	119 Å²	119	54 Å²	54	45%	0.449	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-150.5	161	179.1	69.8	-162.6	-46.7	-108	3.5	114.2	T82 G86 D87 G179 I180	T82-R84 PolarHBondContact OG1-O 3.4Å; R84-G86 PolarHBondContact O-N 3.06Å; R84-D87 HydrophobicContact CG-CB 4.22Å; R84-D87 WeakPolarHBondContact O-CB 3.38Å; R84-D87 PolarHBondContact O-N 3Å; R84-G179 CarbonylContact C-O 3.57Å; R84-G179 WeakPolarHBondContact CA-O 3.34Å; R84-G179 WeakPolarHBondContact CB-O 3.22Å; R84-I180 HydrophobicContact CB-CD1 4.47Å; R84-I180 HydrophobicContact CB-CG1 3.78Å
85	N	87.5	Confident	94.2	Very high	85 Å²	85	51.3 Å²	51.3	46%	0.455	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	130.8	170.1	-176.3	26.4	0	0	0	109.4	F44 G179	F44-N85 HydrophobicContact CE1-CB 4.4Å; F44-N85 WeakPolarHBondContact CE1-OD1 3.49Å; F44-N85 HydrophobicContact CE2-CB 4.25Å; F44-N85 HydrophobicContact CZ-CB 3.78Å; N85-G179 PolarHBondContact N-O 3.1Å
86	G	85	Confident	94.2	Very high	67 Å²	67	54.5 Å²	54.5	69%	0.691	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	13.9	-173.4	0	0	0	0	0	115.3	R84 Q88	R84-G86 PolarHBondContact O-N 3.06Å; G86-Q88 PolarHBondContact O-N 2.91Å
87	D	87.5	Confident	94.2	Very high	24 Å²	24	54.5 Å²	54.5	13%	0.128	30%	0.296	C	S	.	.			trans	-64.4	104.5	170.3	-170.8	-13.4	0	0	0	110.6	T82 L83 R84 Q89 G90	T82-D87 WeakPolarHBondContact OG1-CB 3.24Å; L83-D87 PolarHBondContact N-OD2 2.9Å; R84-D87 HydrophobicContact CG-CB 4.22Å; R84-D87 WeakPolarHBondContact O-CB 3.38Å; R84-D87 PolarHBondContact O-N 3Å; D87-Q89 PolarHBondContact O-N 3.15Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.48Å; D87-Q89 PolarHBondContact OD1-N 3.07Å; D87-G90 PolarHBondContact O-N 3.21Å; D87-G90 VanDerWaalsContact O-N 3.15Å
88	Q	87.7	Confident	94.3	Very high	185 Å²	185	55.6 Å²	55.6	86%	0.864	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-10.5	-179.5	-64.7	-175.7	-39.3	0	0	113.6	G86	G86-Q88 PolarHBondContact O-N 2.91Å
89	Q	91.1	Very high	94.2	Very high	131 Å²	131	60.9 Å²	60.9	61%	0.612	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	1.8	176.6	-51.4	-179.4	7.4	0	0	112.5	R36 D87	R36-Q89 PolarHBondContact NH1-O 3.23Å; D87-Q89 PolarHBondContact O-N 3.15Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.48Å; D87-Q89 PolarHBondContact OD1-N 3.07Å
90	G	94.7	Very high	94.2	Very high	9 Å²	9	61.8 Å²	61.8	9%	0.093	33%	0.334	C	S	.	.	S	Bend	trans	-71.1	157.9	169.9	0	0	0	0	0	111.8	F80 D87 H92	F80-G90 WeakPolarHBondContact O-CA 3.44Å; D87-G90 PolarHBondContact O-N 3.21Å; D87-G90 VanDerWaalsContact O-N 3.15Å; G90-H92 PolarHBondContact O-CE1 3.41Å
91	I	97.1	Very high	94.2	Very high	54 Å²	54	61.8 Å²	61.8	28%	0.277	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116	178.9	-60.7	-179	0	0	0	108.7	S79 F80 L81 S139 I141	S79-I91 VanDerWaalsContact CA-O 3.28Å; S79-I91 WeakPolarHBondContact CA-O 3.44Å; F80-I91 PolarHBondContact N-O 2.92Å; F80-I91 PolarHBondContact O-N 3.2Å; L81-I91 HydrophobicContact CD1-CD1 3.96Å; I91-S139 VanDerWaalsContact CD1-CB 3.42Å; I91-I141 HydrophobicContact CB-CD1 4.03Å; I91-I141 HydrophobicContact CD1-CD1 3.92Å; I91-I141 HydrophobicContact CD1-CG1 4.37Å; I91-I141 HydrophobicContact CG2-CD1 3.96Å
92	H	96.7	Very high	94.2	Very high	97 Å²	97	65 Å²	65	45%	0.449	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.7	-170.9	-48.9	-45.1	0	0	0	112	Q77 S79 G90	Q77-H92 PolarHBondContact NE2-ND1 3.44Å; S79-H92 PolarHBondContact OG-ND1 2.79Å; G90-H92 PolarHBondContact O-CE1 3.41Å
93	H	98	Very high	94.3	Very high	20 Å²	20	69.1 Å²	69.1	9%	0.093	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.9	174.9	-72.9	-102.1	0	0	0	110.6	V78 F80 L131	V78-H93 HydrophobicContact CB-CB 4.5Å; V78-H93 PolarHBondContact N-O 2.82Å; V78-H93 PolarHBondContact O-N 3.35Å; F80-H93 AromaticContact CD2-CD2 3.77Å; F80-H93 AromaticContact CE2-CD2 3.77Å; H93-L131 HydrophobicContact CB-CD1 4.34Å; H93-L131 HydrophobicContact CB-CD2 3.98Å
94	Q	97.8	Very high	94.5	Very high	119 Å²	119	68.1 Å²	68.1	56%	0.556	37%	0.368	S	S	*	.			trans	-82.5	138.3	169.3	-69	-61.1	-37.1	0	0	110.2	V76 A132	V76-Q94 PolarHBondContact O-OE1 2.9Å; V76-Q94 VanDerWaalsContact O-OE1 3.11Å; Q94-A132 HydrophobicContact CB-CB 4.26Å; Q94-A132 WeakPolarHBondContact O-CB 3.05Å; Q94-A132 PolarHBondContact O-N 2.82Å
95	P	97.6	Very high	94.7	Very high	29 Å²	29	65.3 Å²	65.3	19%	0.188	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	149.5	171	31.4	-31.8	0	0	0	111.2	V75 V129 M130	V75-P95 HydrophobicContact CB-CB 4.46Å; V75-P95 HydrophobicContact CB-CG 4.16Å; V75-P95 HydrophobicContact CG1-CB 4.38Å; V75-P95 HydrophobicContact CG1-CG 4.09Å; V75-P95 WeakPolarHBondContact O-CG 3.28Å; P95-V129 HydrophobicContact CB-CG1 3.77Å; P95-M130 CarbonylContact C-O 3.48Å; P95-M130 VanDerWaalsContact CA-O 3.28Å; P95-M130 WeakPolarHBondContact CA-O 3.32Å
96	S	97.4	Very high	95	Very high	77 Å²	77	65 Å²	65	54%	0.538	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-16	173.6	53	0	0	0	0	113.5	M130 L131	S96-M130 PolarHBondContact N-O 2.82Å; S96-M130 WeakPolarHBondContact OG-CB 3.36Å; S96-M130 PolarHBondContact OG-O 2.91Å; S96-L131 VanDerWaalsContact OG-C 3.27Å; S96-L131 PolarHBondContact OG-O 2.97Å
97	G	96.5	Very high	95.4	Very high	32 Å²	32	62.1 Å²	62.1	33%	0.33	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	175	174.5	177.3	0	0	0	0	0	112.3	M130	G97-M130 PolarHBondContact O-N 3.3Å
98	V	97.1	Very high	95.7	Very high	63 Å²	63	61 Å²	61	38%	0.382	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.9	175.3	-58.7	0	0	0	0	110.8	V69 V75 T128 V129	V69-V98 HydrophobicContact CB-CB 4.32Å; V69-V98 HydrophobicContact CB-CG1 4.15Å; V69-V98 HydrophobicContact CB-CG2 4.39Å; V69-V98 HydrophobicContact CG1-CG1 4.04Å; V69-V98 HydrophobicContact CG2-CB 4.38Å; V69-V98 HydrophobicContact CG2-CG2 4.49Å; V75-V98 HydrophobicContact CG2-CG1 4.48Å; V98-T128 CarbonylContact C-O 3.59Å; V98-T128 VanDerWaalsContact CA-O 3.3Å; V98-T128 WeakPolarHBondContact CA-O 3.49Å; V98-V129 HydrophobicContact CG1-CG1 4.46Å; V98-V129 HydrophobicContact CG1-CG2 4.13Å
99	K	97.5	Very high	96	Very high	111 Å²	111	55.1 Å²	55.1	48%	0.483	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.4	170.6	-58.8	-69.7	-174.5	175.3	0	107.4	A127 T128 F258 N262	K99-A127 CarbonylContact O-C 3.5Å; K99-A127 WeakPolarHBondContact O-CA 3.44Å; K99-A127 WeakPolarHBondContact O-CB 3.32Å; K99-T128 PolarHBondContact N-O 3.2Å; K99-T128 PolarHBondContact O-N 2.97Å; K99-F258 HydrophobicContact CB-CE2 4.45Å; K99-F258 HydrophobicContact CB-CZ 4.1Å; K99-N262 HydrophobicContact CB-CB 4.04Å; K99-N262 WeakPolarHBondContact CB-OD1 2.76Å; K99-N262 WeakPolarHBondContact CD-OD1 3.28Å; K99-N262 HydrophobicContact CG-CB 4.12Å; K99-N262 VanDerWaalsContact CG-OD1 3.24Å; K99-N262 WeakPolarHBondContact CG-OD1 3.48Å
100	V	97.6	Very high	96	Very high	20 Å²	20	49.8 Å²	49.8	12%	0.121	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.5	-179.7	-171.4	0	0	0	0	108.1	V69 Y104 M105 A127 F258	V69-V100 HydrophobicContact CG2-CG2 3.52Å; V100-Y104 HydrophobicContact CG1-CD1 4.18Å; V100-M105 HydrophobicContact CB-CE 3.45Å; V100-M105 VanDerWaalsContact CB-CE 3.45Å; V100-M105 HydrophobicContact CB-SD 4.3Å; V100-M105 HydrophobicContact CG1-CE 3.61Å; V100-M105 HydrophobicContact CG2-CE 3.86Å; V100-A127 HydrophobicContact CB-CB 4.44Å; V100-A127 HydrophobicContact CG1-CB 4.47Å; V100-A127 HydrophobicContact CG2-CB 4.05Å; V100-F258 VanDerWaalsContact C-CE2 3.44Å; V100-F258 WeakPolarHBondContact O-CE2 3.29Å
101	A	97.9	Very high	95.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.297	C	S	.	.			trans	-50.9	126.3	175	0	0	0	0	0	110.5	E103 Y104 M105 F124 I126 M255 F258	A101-E103 PolarHBondContact O-N 2.91Å; A101-Y104 WeakPolarHBondContact O-CB 3.48Å; A101-Y104 PolarHBondContact O-N 2.81Å; A101-M105 PolarHBondContact O-N 3.46Å; A101-F124 VanDerWaalsContact CB-O 3.32Å; A101-F124 WeakPolarHBondContact CB-O 3.45Å; A101-I126 PolarHBondContact N-O 2.84Å; A101-M255 HydrophobicContact CB-CE 3.55Å; A101-F258 HydrophobicContact CB-CD1 4.39Å; A101-F258 HydrophobicContact CB-CG 4.41Å
102	P	97	Very high	95.3	Very high	82 Å²	82	55.3 Å²	55.3	53%	0.532	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-53	-38.9	-180	-29.1	36.2	0	0	0	113.2	Y104 M105	P102-Y104 PolarHBondContact O-N 2.96Å; P102-M105 WeakPolarHBondContact O-CB 3.05Å; P102-M105 PolarHBondContact O-N 3.41Å; P102-M105 VanDerWaalsContact O-N 3.09Å
103	E	96.6	Very high	95.1	Very high	91 Å²	91	55.8 Å²	55.8	43%	0.425	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-63.4	-22.9	178.2	-58	79.3	-174.9	0	0	112.7	A101 P106 L121 F124	A101-E103 PolarHBondContact O-N 2.91Å; E103-P106 WeakPolarHBondContact O-CD 3.19Å; E103-L121 WeakPolarHBondContact O-CD1 3.4Å; E103-F124 HydrophobicContact CB-CB 3.84Å; E103-F124 HydrophobicContact CB-CD1 3.73Å; E103-F124 HydrophobicContact CB-CD2 3.75Å; E103-F124 HydrophobicContact CB-CE1 4.17Å; E103-F124 HydrophobicContact CB-CE2 4.17Å; E103-F124 HydrophobicContact CB-CG 3.51Å; E103-F124 HydrophobicContact CB-CZ 4.36Å; E103-F124 HydrophobicContact CG-CD1 4.04Å; E103-F124 HydrophobicContact CG-CE1 4.09Å; E103-F124 HydrophobicContact CG-CG 4.31Å; E103-F124 HydrophobicContact CG-CZ 4.4Å
104	Y	96.3	Very high	94.5	Very high	16 Å²	16	66.3 Å²	66.3	6%	0.063	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-93.8	-12.2	176.5	-159.2	-100	0	0	0	113.9	H67 C70 V100 A101 P102 P106 S107 C108 L121 F124 D125	H67-Y104 HydrophobicContact CB-CE1 4.32Å; C70-Y104 VanDerWaalsContact SG-CE1 3.59Å; V100-Y104 HydrophobicContact CG1-CD1 4.18Å; A101-Y104 WeakPolarHBondContact O-CB 3.48Å; A101-Y104 PolarHBondContact O-N 2.81Å; P102-Y104 PolarHBondContact O-N 2.96Å; Y104-P106 VanDerWaalsContact C-N 3.29Å; Y104-S107 WeakPolarHBondContact O-CB 3.5Å; Y104-S107 PolarHBondContact O-N 2.94Å; Y104-C108 PolarHBondContact O-N 3Å; Y104-L121 HydrophobicContact CD2-CB 3.79Å; Y104-L121 WeakPolarHBondContact CD2-O 3.46Å; Y104-L121 HydrophobicContact CE2-CB 4.01Å; Y104-F124 WeakPolarHBondContact CB-O 3.38Å; Y104-F124 HydrophobicContact CD2-CB 4.43Å; Y104-D125 VanDerWaalsContact CD2-CA 3.48Å; Y104-D125 HydrophobicContact CD2-CB 3.8Å; Y104-D125 WeakPolarHBondContact CE1-OD1 3.34Å; Y104-D125 HydrophobicContact CE2-CB 3.4Å; Y104-D125 VanDerWaalsContact CE2-CB 3.4Å; Y104-D125 VanDerWaalsContact CE2-CG 3.45Å; Y104-D125 PolarHBondContact OH-OD1 2.9Å; Y104-D125 PolarHBondContact OH-OD2 3.01Å
105	M	95	Very high	94.2	Very high	60 Å²	60	68.5 Å²	68.5	30%	0.296	35%	0.35	S	S	.	.	H	α-helix	trans	-56.5	-30.6	178.6	-65.4	-83.4	72.5	0	0	115.1	V100 A101 P102 S107 C108 T109	V100-M105 HydrophobicContact CB-CE 3.45Å; V100-M105 VanDerWaalsContact CB-CE 3.45Å; V100-M105 HydrophobicContact CB-SD 4.3Å; V100-M105 HydrophobicContact CG1-CE 3.61Å; V100-M105 HydrophobicContact CG2-CE 3.86Å; A101-M105 PolarHBondContact O-N 3.46Å; P102-M105 WeakPolarHBondContact O-CB 3.05Å; P102-M105 PolarHBondContact O-N 3.41Å; P102-M105 VanDerWaalsContact O-N 3.09Å; M105-S107 VanDerWaalsContact C-N 3.34Å; M105-S107 PolarHBondContact O-N 3.3Å; M105-C108 HydrophobicContact CE-CB 3.73Å; M105-C108 WeakPolarHBondContact CE-SG 3.31Å; M105-C108 PolarHBondContact O-N 3.13Å; M105-T109 WeakPolarHBondContact O-CB 3.25Å; M105-T109 PolarHBondContact O-N 3.21Å; M105-T109 PolarHBondContact O-OG1 3.49Å
106	P	94.2	Very high	93.6	Very high	79 Å²	79	78 Å²	78	51%	0.513	38%	0.382	S	S	.	.	H	α-helix	trans	-58.4	-41	169.9	-26.6	36.6	0	0	0	113.3	E103 Y104 T109 A110 L121	E103-P106 WeakPolarHBondContact O-CD 3.19Å; Y104-P106 VanDerWaalsContact C-N 3.29Å; P106-T109 PolarHBondContact O-N 3.43Å; P106-A110 WeakPolarHBondContact O-CB 3.34Å; P106-A110 PolarHBondContact O-N 3.15Å; P106-L121 HydrophobicContact CB-CD1 4.16Å; P106-L121 HydrophobicContact CG-CD1 4.46Å
107	S	92.8	Very high	92.8	Very high	6 Å²	6	78 Å²	78	4%	0.042	38%	0.375	C	S	.	.	H	α-helix	trans	-65.2	-44.8	176.3	-67.4	0	0	0	0	111.9	Y104 M105 T109 A110 S111 L121	Y104-S107 WeakPolarHBondContact O-CB 3.5Å; Y104-S107 PolarHBondContact O-N 2.94Å; M105-S107 VanDerWaalsContact C-N 3.34Å; M105-S107 PolarHBondContact O-N 3.3Å; S107-T109 VanDerWaalsContact C-N 3.32Å; S107-T109 PolarHBondContact O-N 2.62Å; S107-A110 PolarHBondContact O-N 3.25Å; S107-S111 WeakPolarHBondContact O-CB 3.42Å; S107-S111 PolarHBondContact O-N 3.19Å; S107-L121 WeakPolarHBondContact OG-CD1 3.41Å
108	C	92.5	Very high	92	Very high	0 Å²	0	88.1 Å²	88.1	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-61.4	-41.2	174.3	-67.7	0	0	0	0	112.3	C70 Y104 M105 S111 R112	C70-C108 WeakPolarHBondContact CA-SG 3.49Å; C70-C108 HydrophobicContact CB-CB 3.59Å; C70-C108 WeakPolarHBondContact CB-SG 3.15Å; C70-C108 WeakPolarHBondContact SG-CA 3.37Å; C70-C108 WeakPolarHBondContact SG-CB 3.36Å; C70-C108 CovalentContact SG-SG 2.03Å; C70-C108 PolarHBondContact SG-SG 3.34Å; Y104-C108 PolarHBondContact O-N 3Å; M105-C108 HydrophobicContact CE-CB 3.73Å; M105-C108 WeakPolarHBondContact CE-SG 3.31Å; M105-C108 PolarHBondContact O-N 3.13Å; C108-S111 PolarHBondContact O-N 2.89Å; C108-R112 WeakPolarHBondContact O-CB 3.5Å; C108-R112 VanDerWaalsContact O-CG 3.28Å; C108-R112 WeakPolarHBondContact O-CG 3.12Å; C108-R112 PolarHBondContact O-N 3.28Å
109	T	93.8	Very high	91.2	Very high	62 Å²	62	90.7 Å²	90.7	38%	0.38	41%	0.411	S	S	.	.	H	α-helix	trans	-65	-45.5	180	-57.9	0	0	0	0	111	M105 P106 S107 R112 Q113	M105-T109 WeakPolarHBondContact O-CB 3.25Å; M105-T109 PolarHBondContact O-N 3.21Å; M105-T109 PolarHBondContact O-OG1 3.49Å; P106-T109 PolarHBondContact O-N 3.43Å; S107-T109 VanDerWaalsContact C-N 3.32Å; S107-T109 PolarHBondContact O-N 2.62Å; T109-R112 PolarHBondContact O-N 2.82Å; T109-Q113 WeakPolarHBondContact O-CB 3.46Å; T109-Q113 VanDerWaalsContact O-CG 3.29Å; T109-Q113 WeakPolarHBondContact O-CG 3.22Å; T109-Q113 PolarHBondContact O-N 2.81Å
110	A	91.6	Very high	90.4	Very high	18 Å²	18	88.1 Å²	88.1	15%	0.149	41%	0.405	C	S	.	.	H	α-helix	trans	-59.6	-46.4	173.8	0	0	0	0	0	111.8	P106 S107 Q113 R114 R115 I117	P106-A110 WeakPolarHBondContact O-CB 3.34Å; P106-A110 PolarHBondContact O-N 3.15Å; S107-A110 PolarHBondContact O-N 3.25Å; A110-Q113 CarbonylContact O-C 3.59Å; A110-Q113 PolarHBondContact O-N 3.46Å; A110-R114 PolarHBondContact O-N 2.61Å; A110-R115 HydrophobicContact CB-CB 4.38Å; A110-R115 PolarHBondContact O-N 3Å; A110-I117 HydrophobicContact CB-CG1 3.95Å
111	S	87.3	Confident	90.1	Very high	61 Å²	61	88.2 Å²	88.2	43%	0.427	41%	0.405	S	S	.	.	H	α-helix	trans	-59.1	-49.4	178	-178.5	0	0	0	0	112.5	S107 C108 Q113 R114	S107-S111 WeakPolarHBondContact O-CB 3.42Å; S107-S111 PolarHBondContact O-N 3.19Å; C108-S111 PolarHBondContact O-N 2.89Å; S111-Q113 VanDerWaalsContact C-N 3.31Å; S111-Q113 PolarHBondContact O-N 2.77Å; S111-R114 WeakPolarHBondContact O-CA 3.44Å; S111-R114 PolarHBondContact O-N 2.76Å
112	R	90	Very high	89.7	Confident	119 Å²	119	88.4 Å²	88.4	45%	0.449	41%	0.406	S	S	.	.	H	α-helix	trans	-59.7	-39.6	176.2	-71.1	168.1	-175.3	160.5	2	112.5	C70 C108 T109 R114	C70-R112 WeakPolarHBondContact O-CG 3.3Å; C70-R112 PolarHBondContact O-NE 2.96Å; C70-R112 PolarHBondContact O-NH2 3.26Å; C108-R112 WeakPolarHBondContact O-CB 3.5Å; C108-R112 VanDerWaalsContact O-CG 3.28Å; C108-R112 WeakPolarHBondContact O-CG 3.12Å; C108-R112 PolarHBondContact O-N 3.28Å; T109-R112 PolarHBondContact O-N 2.82Å; R112-R114 PolarHBondContact O-N 3.22Å
113	Q	91.9	Very high	89.6	Confident	107 Å²	107	84.5 Å²	84.5	50%	0.5	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	1.4	175.6	-66.8	177.9	-2.8	0	0	113.6	T109 A110 S111 R115	T109-Q113 WeakPolarHBondContact O-CB 3.46Å; T109-Q113 VanDerWaalsContact O-CG 3.29Å; T109-Q113 WeakPolarHBondContact O-CG 3.22Å; T109-Q113 PolarHBondContact O-N 2.81Å; A110-Q113 CarbonylContact O-C 3.59Å; A110-Q113 PolarHBondContact O-N 3.46Å; S111-Q113 VanDerWaalsContact C-N 3.31Å; S111-Q113 PolarHBondContact O-N 2.77Å; Q113-R115 HydrophobicContact CB-CG 3.81Å; Q113-R115 PolarHBondContact O-N 3.49Å; Q113-R115 VanDerWaalsContact OE1-NH1 3.1Å
114	R	86.8	Confident	89.6	Confident	240 Å²	240	82.6 Å²	82.6	91%	0.906	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	29	-172.9	-55	-178.6	-176.7	170.7	2.2	113.7	A110 S111 R112	A110-R114 PolarHBondContact O-N 2.61Å; S111-R114 WeakPolarHBondContact O-CA 3.44Å; S111-R114 PolarHBondContact O-N 2.76Å; R112-R114 PolarHBondContact O-N 3.22Å
115	R	90.3	Very high	89.6	Confident	166 Å²	166	81.9 Å²	81.9	63%	0.626	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-89.2	145.7	178.3	-65.4	174	76.8	-176.9	4	110.1	A110 Q113 I117	A110-R115 HydrophobicContact CB-CB 4.38Å; A110-R115 PolarHBondContact O-N 3Å; Q113-R115 HydrophobicContact CB-CG 3.81Å; Q113-R115 PolarHBondContact O-N 3.49Å; Q113-R115 VanDerWaalsContact OE1-NH1 3.1Å; R115-I117 PolarHBondContact O-N 2.78Å
116	R	85.3	Confident	89.8	Confident	227 Å²	227	79 Å²	79	86%	0.857	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-60.4	118.8	173.5	-178.7	175.8	178.5	-178.5	0.9	110.1	R118	R116-R118 PolarHBondContact O-N 3.32Å
117	I	81.6	Confident	90	Very high	78 Å²	78	75.3 Å²	75.3	40%	0.4	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-63	122.7	166.5	-65.2	167.7	0	0	0	107.3	A110 R115 Q119	A110-I117 HydrophobicContact CB-CG1 3.95Å; R115-I117 PolarHBondContact O-N 2.78Å; I117-Q119 WeakPolarHBondContact CG2-O 3.49Å
118	R	78.6	Confident	90.2	Very high	244 Å²	244	75 Å²	75	92%	0.921	33%	0.328	S	S	*	.			trans	-89.4	-22.4	-175.3	-70.1	-173.8	173.3	-166.8	-3.1	113.7	R116	R116-R118 PolarHBondContact O-N 3.32Å
119	Q	81.6	Confident	90.5	Very high	117 Å²	117	75 Å²	75	55%	0.547	33%	0.328	S	S	.	.	S	Bend	trans	-143.8	134.7	-174.4	-179.8	175.6	10.3	0	0	108.4	I117 L121 T196	I117-Q119 WeakPolarHBondContact CG2-O 3.49Å; Q119-L121 HydrophobicContact CG-CD2 4.09Å; Q119-L121 PolarHBondContact O-N 2.85Å; Q119-T196 VanDerWaalsContact CG-OG1 3.3Å; Q119-T196 WeakPolarHBondContact CG-OG1 3.11Å; Q119-T196 PolarHBondContact NE2-OG1 2.84Å
120	T	80.8	Confident	90.7	Very high	57 Å²	57	73.9 Å²	73.9	35%	0.35	32%	0.319	S	S	.	.			trans	-75.1	120.7	173.9	46	0	0	0	0	109.1	S122 T196	T120-S122 VanDerWaalsContact C-N 3.3Å; T120-S122 PolarHBondContact O-N 2.7Å; T120-T196 WeakPolarHBondContact O-CB 3.43Å; T120-T196 PolarHBondContact O-OG1 3.06Å
121	L	90.2	Very high	91.1	Very high	22 Å²	22	73.1 Å²	73.1	12%	0.115	31%	0.312	C	S	.	.			trans	-98.9	36.8	179.9	-58.8	-174	0	0	0	111.3	E103 Y104 P106 S107 Q119 G123 F124 D125 T196	E103-L121 WeakPolarHBondContact O-CD1 3.4Å; Y104-L121 HydrophobicContact CD2-CB 3.79Å; Y104-L121 WeakPolarHBondContact CD2-O 3.46Å; Y104-L121 HydrophobicContact CE2-CB 4.01Å; P106-L121 HydrophobicContact CB-CD1 4.16Å; P106-L121 HydrophobicContact CG-CD1 4.46Å; S107-L121 WeakPolarHBondContact OG-CD1 3.41Å; Q119-L121 HydrophobicContact CG-CD2 4.09Å; Q119-L121 PolarHBondContact O-N 2.85Å; L121-G123 PolarHBondContact O-N 2.72Å; L121-F124 HydrophobicContact CB-CD2 4.38Å; L121-F124 WeakPolarHBondContact O-CA 3.45Å; L121-F124 WeakPolarHBondContact O-CB 3.11Å; L121-F124 PolarHBondContact O-N 2.92Å; L121-D125 PolarHBondContact O-N 3.39Å; L121-T196 HydrophobicContact CD2-CG2 3.77Å
122	S	89	Confident	91.6	Very high	4 Å²	4	72.9 Å²	72.9	3%	0.028	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-76.2	-19.5	-160.7	-73.1	0	0	0	0	115.5	T120 F124 D125 S234 H235 E248 A250	T120-S122 VanDerWaalsContact C-N 3.3Å; T120-S122 PolarHBondContact O-N 2.7Å; S122-F124 PolarHBondContact O-N 2.87Å; S122-D125 PolarHBondContact O-N 2.94Å; S122-S234 VanDerWaalsContact CB-OG 3.22Å; S122-S234 WeakPolarHBondContact CB-OG 3.47Å; S122-S234 PolarHBondContact OG-OG 2.88Å; S122-H235 PolarHBondContact OG-CE1 2.91Å; S122-H235 PolarHBondContact OG-ND1 3.43Å; S122-E248 WeakPolarHBondContact CB-OE2 3.34Å; S122-A250 VanDerWaalsContact O-CA 3.22Å; S122-A250 WeakPolarHBondContact O-CA 3.44Å; S122-A250 WeakPolarHBondContact O-CB 3.35Å; S122-A250 PolarHBondContact O-N 3.35Å
123	G	94.9	Very high	92	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-65	-20.4	164.5	0	0	0	0	0	113.5	L121 T196	L121-G123 PolarHBondContact O-N 2.72Å; G123-T196 WeakPolarHBondContact CA-O 3.34Å; G123-T196 PolarHBondContact N-O 2.91Å
124	F	97	Very high	92.3	Very high	52 Å²	52	74.4 Å²	74.4	23%	0.228	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-105.8	0.1	-178.8	-53.8	-56.6	0	0	0	114	A101 E103 Y104 L121 S122 I126 T196 G197 M255	A101-F124 VanDerWaalsContact CB-O 3.32Å; A101-F124 WeakPolarHBondContact CB-O 3.45Å; E103-F124 HydrophobicContact CB-CB 3.84Å; E103-F124 HydrophobicContact CB-CD1 3.73Å; E103-F124 HydrophobicContact CB-CD2 3.75Å; E103-F124 HydrophobicContact CB-CE1 4.17Å; E103-F124 HydrophobicContact CB-CE2 4.17Å; E103-F124 HydrophobicContact CB-CG 3.51Å; E103-F124 HydrophobicContact CB-CZ 4.36Å; E103-F124 HydrophobicContact CG-CD1 4.04Å; E103-F124 HydrophobicContact CG-CE1 4.09Å; E103-F124 HydrophobicContact CG-CG 4.31Å; E103-F124 HydrophobicContact CG-CZ 4.4Å; Y104-F124 WeakPolarHBondContact CB-O 3.38Å; Y104-F124 HydrophobicContact CD2-CB 4.43Å; L121-F124 HydrophobicContact CB-CD2 4.38Å; L121-F124 WeakPolarHBondContact O-CA 3.45Å; L121-F124 WeakPolarHBondContact O-CB 3.11Å; L121-F124 PolarHBondContact O-N 2.92Å; S122-F124 PolarHBondContact O-N 2.87Å; F124-I126 PolarHBondContact O-N 3.48Å; F124-T196 HydrophobicContact CE2-CG2 4.09Å; F124-G197 VanDerWaalsContact CZ-CA 3.48Å; F124-M255 HydrophobicContact CD1-CE 4.12Å; F124-M255 HydrophobicContact CD1-SD 3.72Å; F124-M255 HydrophobicContact CE1-SD 4.38Å
125	D	97	Very high	92.8	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	29%	0.287	C	S	.	.			trans	-74.6	66.6	-171.2	-168.3	3.1	0	0	0	113	A65 G66 H67 Y104 L121 S122 S234 A250	A65-D125 WeakPolarHBondContact CA-O 3.37Å; G66-D125 VanDerWaalsContact CA-OD1 3.24Å; G66-D125 WeakPolarHBondContact CA-OD1 3.46Å; G66-D125 PolarHBondContact N-O 2.89Å; G66-D125 PolarHBondContact N-OD1 2.82Å; H67-D125 IonicContact CE1-OD2 3.94Å; H67-D125 IonicContact CG-OD2 3.93Å; H67-D125 PolarHBondContact N-OD1 2.81Å; H67-D125 IonicContact ND1-OD1 3.84Å; H67-D125 PolarHBondContact ND1-OD1 2.79Å; H67-D125 IonicContact ND1-OD2 3.01Å; H67-D125 PolarHBondContact ND1-OD2 3.45Å; Y104-D125 VanDerWaalsContact CD2-CA 3.48Å; Y104-D125 HydrophobicContact CD2-CB 3.8Å; Y104-D125 WeakPolarHBondContact CE1-OD1 3.34Å; Y104-D125 HydrophobicContact CE2-CB 3.4Å; Y104-D125 VanDerWaalsContact CE2-CB 3.4Å; Y104-D125 VanDerWaalsContact CE2-CG 3.45Å; Y104-D125 PolarHBondContact OH-OD1 2.9Å; Y104-D125 PolarHBondContact OH-OD2 3.01Å; L121-D125 PolarHBondContact O-N 3.39Å; S122-D125 PolarHBondContact O-N 2.94Å; D125-S234 WeakPolarHBondContact CB-OG 3.4Å; D125-S234 WeakPolarHBondContact OD2-CB 3.29Å; D125-S234 PolarHBondContact OD2-OG 2.91Å; D125-A250 HydrophobicContact CB-CB 4.26Å
126	I	97.9	Very high	93.2	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.28	C	S	.	.			trans	-129.2	140.9	-176.7	-60.1	-165.9	0	0	0	110.8	L63 A101 F124 V232 A250 V252 M255 F258 V259	L63-I126 HydrophobicContact CD1-CG2 3.51Å; A101-I126 PolarHBondContact N-O 2.84Å; F124-I126 PolarHBondContact O-N 3.48Å; I126-V232 HydrophobicContact CD1-CG2 4.37Å; I126-V232 HydrophobicContact CG1-CB 4.48Å; I126-A250 HydrophobicContact CD1-CB 3.8Å; I126-A250 HydrophobicContact CG1-CB 3.38Å; I126-V252 HydrophobicContact CD1-CG2 4.29Å; I126-M255 HydrophobicContact CD1-CB 3.72Å; I126-M255 HydrophobicContact CD1-CG 3.76Å; I126-M255 HydrophobicContact CG1-CG 4.43Å; I126-F258 HydrophobicContact CG2-CD1 4.14Å; I126-F258 HydrophobicContact CG2-CE1 3.99Å; I126-V259 HydrophobicContact CG2-CG2 4.1Å
127	A	98.2	Very high	93.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	158.4	169	0	0	0	0	0	111.4	T64 V69 K99 V100	T64-A127 HydrophobicContact CG2-CB 4.32Å; T64-A127 PolarHBondContact N-O 3.46Å; T64-A127 PolarHBondContact O-N 2.93Å; V69-A127 HydrophobicContact CG2-CB 3.45Å; V69-A127 VanDerWaalsContact CG2-CB 3.45Å; K99-A127 CarbonylContact O-C 3.5Å; K99-A127 WeakPolarHBondContact O-CA 3.44Å; K99-A127 WeakPolarHBondContact O-CB 3.32Å; V100-A127 HydrophobicContact CB-CB 4.44Å; V100-A127 HydrophobicContact CG1-CB 4.47Å; V100-A127 HydrophobicContact CG2-CB 4.05Å
128	T	98.5	Very high	94.5	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.9	162.2	65.3	0	0	0	0	110.3	V62 L63 V98 K99 N262 I263	V62-T128 CarbonylContact O-C 3.5Å; V62-T128 VanDerWaalsContact O-CA 3.28Å; V62-T128 WeakPolarHBondContact O-CA 3.49Å; L63-T128 HydrophobicContact CD1-CG2 4.15Å; V98-T128 CarbonylContact C-O 3.59Å; V98-T128 VanDerWaalsContact CA-O 3.3Å; V98-T128 WeakPolarHBondContact CA-O 3.49Å; K99-T128 PolarHBondContact N-O 3.2Å; K99-T128 PolarHBondContact O-N 2.97Å; T128-N262 WeakPolarHBondContact CB-O 3.1Å; T128-N262 HydrophobicContact CG2-CB 4.46Å; T128-N262 WeakPolarHBondContact CG2-O 3.48Å; T128-N262 PolarHBondContact OG1-O 3.37Å; T128-I263 HydrophobicContact CG2-CG2 4.03Å
129	V	98.5	Very high	95.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.4	168.7	-178.9	0	0	0	0	107	V62 T64 V69 V75 V78 P95 V98	V62-V129 HydrophobicContact CB-CB 4.44Å; V62-V129 PolarHBondContact N-O 3.28Å; V62-V129 PolarHBondContact O-N 2.76Å; T64-V129 HydrophobicContact CG2-CG2 3.84Å; V69-V129 HydrophobicContact CG1-CG2 3.94Å; V75-V129 HydrophobicContact CG1-CG1 4.32Å; V75-V129 HydrophobicContact CG2-CG2 4.16Å; V78-V129 HydrophobicContact CG2-CG1 3.97Å; P95-V129 HydrophobicContact CB-CG1 3.77Å; V98-V129 HydrophobicContact CG1-CG1 4.46Å; V98-V129 HydrophobicContact CG1-CG2 4.13Å
130	M	98.4	Very high	96.1	Very high	39 Å²	39	42.9 Å²	42.9	19%	0.192	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	135.9	174.9	-57.6	-53.5	-72.3	0	0	109.2	R60 A61 P95 S96 G97	R60-M130 HydrophobicContact CG-CE 4.29Å; R60-M130 CarbonylContact O-C 3.44Å; R60-M130 WeakPolarHBondContact O-CA 3.36Å; A61-M130 HydrophobicContact CB-CE 4.23Å; A61-M130 HydrophobicContact CB-SD 3.8Å; P95-M130 CarbonylContact C-O 3.48Å; P95-M130 VanDerWaalsContact CA-O 3.28Å; P95-M130 WeakPolarHBondContact CA-O 3.32Å; S96-M130 PolarHBondContact N-O 2.82Å; S96-M130 WeakPolarHBondContact OG-CB 3.36Å; S96-M130 PolarHBondContact OG-O 2.91Å; G97-M130 PolarHBondContact O-N 3.3Å
131	L	98.6	Very high	96.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	147	175.8	-54.2	179.4	0	0	0	110.2	L56 R60 V62 V78 F80 H93 S96 Q133 V135	L56-L131 HydrophobicContact CD1-CD1 4.1Å; R60-L131 HydrophobicContact CG-CB 4.4Å; R60-L131 WeakPolarHBondContact CG-O 3.42Å; R60-L131 WeakPolarHBondContact O-CG 3.49Å; R60-L131 PolarHBondContact O-N 2.91Å; V62-L131 HydrophobicContact CG2-CD2 4.38Å; V78-L131 HydrophobicContact CB-CD2 3.82Å; V78-L131 HydrophobicContact CG1-CD2 4.02Å; V78-L131 HydrophobicContact CG2-CD2 3.77Å; F80-L131 HydrophobicContact CE2-CD1 4.08Å; F80-L131 HydrophobicContact CZ-CD1 4.18Å; H93-L131 HydrophobicContact CB-CD1 4.34Å; H93-L131 HydrophobicContact CB-CD2 3.98Å; S96-L131 VanDerWaalsContact OG-C 3.27Å; S96-L131 PolarHBondContact OG-O 2.97Å; L131-Q133 VanDerWaalsContact C-N 3.28Å; L131-Q133 WeakPolarHBondContact CB-O 3.43Å; L131-Q133 PolarHBondContact O-N 3.13Å; L131-V135 HydrophobicContact CD1-CG2 3.55Å
132	A	98.3	Very high	97.3	Very high	56 Å²	56	45.1 Å²	45.1	46%	0.463	23%	0.232	S	C	.	.	S	Bend	trans	-71.2	-24.6	177.5	0	0	0	0	0	113.1	Q94	Q94-A132 HydrophobicContact CB-CB 4.26Å; Q94-A132 WeakPolarHBondContact O-CB 3.05Å; Q94-A132 PolarHBondContact O-N 2.82Å
133	Q	98.1	Very high	97.7	Very high	145 Å²	145	47.7 Å²	47.7	68%	0.678	25%	0.248	S	C	*	.	S	Bend	trans	-132.6	151.7	176.6	-61.6	-178.1	10.7	0	0	109.4	L131	L131-Q133 VanDerWaalsContact C-N 3.28Å; L131-Q133 WeakPolarHBondContact CB-O 3.43Å; L131-Q133 PolarHBondContact O-N 3.13Å
134	M	98.1	Very high	97.9	Very high	113 Å²	113	48 Å²	48	56%	0.557	25%	0.25	S	C	*	.			trans	-66.1	143.9	172.1	-71.4	177.9	172	0	0	110.4	T59	T59-M134 CarbonylContact O-C 3.56Å; T59-M134 VanDerWaalsContact O-CA 3.3Å; T59-M134 WeakPolarHBondContact O-CA 3.47Å
135	V	98.2	Very high	97.9	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.048	26%	0.259	C	S	.	.			trans	-68.4	126.7	171.5	175.1	0	0	0	0	110	L56 T59 F80 L131 L137 I141	L56-V135 HydrophobicContact CD1-CG2 3.86Å; L56-V135 HydrophobicContact CD2-CB 4.06Å; L56-V135 HydrophobicContact CD2-CG1 3.95Å; L56-V135 HydrophobicContact CD2-CG2 3.85Å; T59-V135 PolarHBondContact O-N 2.77Å; F80-V135 HydrophobicContact CE2-CG2 4.02Å; F80-V135 HydrophobicContact CZ-CG2 4.48Å; L131-V135 HydrophobicContact CD1-CG2 3.55Å; V135-L137 HydrophobicContact CG1-CD2 4.12Å; V135-L137 PolarHBondContact O-N 2.91Å; V135-I141 HydrophobicContact CG1-CB 3.73Å; V135-I141 HydrophobicContact CG1-CD1 3.66Å; V135-I141 HydrophobicContact CG1-CG1 4.3Å; V135-I141 HydrophobicContact CG1-CG2 3.53Å
136	N	97.8	Very high	98	Very high	91 Å²	91	50.1 Å²	50.1	49%	0.487	27%	0.268	S	S	.	.			trans	-77	104.8	169.3	-178.1	3.1	0	0	0	110.1	Q138 S139	N136-Q138 PolarHBondContact O-N 2.83Å; N136-Q138 VanDerWaalsContact OD1-CB 3.26Å; N136-Q138 WeakPolarHBondContact OD1-CB 3.46Å; N136-Q138 WeakPolarHBondContact OD1-CG 3.37Å; N136-Q138 PolarHBondContact OD1-N 3.15Å; N136-S139 VanDerWaalsContact O-CB 3.31Å; N136-S139 WeakPolarHBondContact O-CB 3.21Å; N136-S139 PolarHBondContact O-N 3.02Å; N136-S139 VanDerWaalsContact O-N 3.13Å; N136-S139 PolarHBondContact O-OG 2.87Å
137	L	97.4	Very high	98	Very high	70 Å²	70	50.1 Å²	50.1	37%	0.366	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-66.4	-16.4	-179.9	-56.9	-179.3	0	0	0	113.9	T59 V135 S139 G140 R142 V143	T59-L137 HydrophobicContact CG2-CD1 4.07Å; T59-L137 HydrophobicContact CG2-CD2 4.44Å; T59-L137 HydrophobicContact CG2-CG 4.32Å; V135-L137 HydrophobicContact CG1-CD2 4.12Å; V135-L137 PolarHBondContact O-N 2.91Å; L137-S139 PolarHBondContact O-N 3.17Å; L137-G140 PolarHBondContact O-N 3.26Å; L137-R142 PolarHBondContact O-NH1 3.09Å; L137-V143 HydrophobicContact CD2-CG2 4.23Å
138	Q	97.2	Very high	98	Very high	177 Å²	177	56.1 Å²	56.1	83%	0.827	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-66.2	-19.6	173.2	-60.9	176.6	-22.8	0	0	112.5	N136 G140	N136-Q138 PolarHBondContact O-N 2.83Å; N136-Q138 VanDerWaalsContact OD1-CB 3.26Å; N136-Q138 WeakPolarHBondContact OD1-CB 3.46Å; N136-Q138 WeakPolarHBondContact OD1-CG 3.37Å; N136-Q138 PolarHBondContact OD1-N 3.15Å; Q138-G140 PolarHBondContact O-N 2.86Å
139	S	96.3	Very high	97.8	Very high	44 Å²	44	59.2 Å²	59.2	31%	0.308	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-69.5	-6.3	175.9	66.6	0	0	0	0	115.1	L81 I91 N136 L137 I141	L81-S139 WeakPolarHBondContact CD1-O 3.41Å; I91-S139 VanDerWaalsContact CD1-CB 3.42Å; N136-S139 VanDerWaalsContact O-CB 3.31Å; N136-S139 WeakPolarHBondContact O-CB 3.21Å; N136-S139 PolarHBondContact O-N 3.02Å; N136-S139 VanDerWaalsContact O-N 3.13Å; N136-S139 PolarHBondContact O-OG 2.87Å; L137-S139 PolarHBondContact O-N 3.17Å; S139-I141 WeakPolarHBondContact OG-CD1 3.3Å; S139-I141 WeakPolarHBondContact OG-CG1 3.35Å; S139-I141 PolarHBondContact OG-N 2.98Å
140	G	96.9	Very high	97.7	Very high	21 Å²	21	64.2 Å²	64.2	22%	0.216	36%	0.356	C	S	.	.	S	Bend	trans	97.7	-16.2	-173.2	0	0	0	0	0	113.9	P40 L137 Q138 R142	P40-G140 WeakPolarHBondContact CB-O 3.37Å; L137-G140 PolarHBondContact O-N 3.26Å; Q138-G140 PolarHBondContact O-N 2.86Å; G140-R142 PolarHBondContact O-NH1 3.04Å
141	I	98.2	Very high	97.6	Very high	0 Å²	0	64 Å²	64	0%	0	36%	0.356	C	S	.	.			trans	-59.6	144.3	172.5	-57.7	165.7	0	0	0	110	P40 L56 F80 L81 I91 V135 S139	P40-I141 WeakPolarHBondContact O-CA 3.46Å; P40-I141 WeakPolarHBondContact O-CG2 3.16Å; L56-I141 HydrophobicContact CD2-CG2 3.6Å; F80-I141 HydrophobicContact CB-CD1 3.64Å; F80-I141 HydrophobicContact CB-CG1 3.79Å; F80-I141 HydrophobicContact CB-CG2 4.35Å; F80-I141 HydrophobicContact CD1-CG2 4.31Å; F80-I141 HydrophobicContact CD2-CD1 3.93Å; F80-I141 HydrophobicContact CG-CD1 3.99Å; F80-I141 HydrophobicContact CG-CG1 4.37Å; F80-I141 HydrophobicContact CG-CG2 4.19Å; L81-I141 HydrophobicContact CD1-CG1 3.9Å; L81-I141 HydrophobicContact CD2-CG1 4.39Å; L81-I141 HydrophobicContact CG-CG1 3.82Å; I91-I141 HydrophobicContact CB-CD1 4.03Å; I91-I141 HydrophobicContact CD1-CD1 3.92Å; I91-I141 HydrophobicContact CD1-CG1 4.37Å; I91-I141 HydrophobicContact CG2-CD1 3.96Å; V135-I141 HydrophobicContact CG1-CB 3.73Å; V135-I141 HydrophobicContact CG1-CD1 3.66Å; V135-I141 HydrophobicContact CG1-CG1 4.3Å; V135-I141 HydrophobicContact CG1-CG2 3.53Å; S139-I141 WeakPolarHBondContact OG-CD1 3.3Å; S139-I141 WeakPolarHBondContact OG-CG1 3.35Å; S139-I141 PolarHBondContact OG-N 2.98Å
142	R	98.1	Very high	97.4	Very high	125 Å²	125	67.3 Å²	67.3	47%	0.472	37%	0.373	S	S	.	.			trans	-126.3	155.2	177.3	-59.6	-67.3	173.1	-106.7	6.9	111.2	P40 Y41 L56 L137 G140	P40-R142 HydrophobicContact CB-CB 4.33Å; P40-R142 HydrophobicContact CB-CG 4Å; P40-R142 HydrophobicContact CG-CB 3.93Å; P40-R142 HydrophobicContact CG-CG 3.6Å; P40-R142 PolarHBondContact O-N 3.36Å; Y41-R142 VanDerWaalsContact CA-O 3.3Å; Y41-R142 WeakPolarHBondContact CA-O 3.33Å; Y41-R142 WeakPolarHBondContact CB-O 3.43Å; L56-R142 WeakPolarHBondContact CD2-O 3.14Å; L137-R142 PolarHBondContact O-NH1 3.09Å; G140-R142 PolarHBondContact O-NH1 3.04Å
143	V	98.4	Very high	97.4	Very high	58 Å²	58	65.6 Å²	65.6	35%	0.352	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-90	130.3	165.8	176.4	0	0	0	0	107.8	L56 V57 T59 L137	L56-V143 HydrophobicContact CD2-CG2 4.01Å; L56-V143 HydrophobicContact CG-CG2 4.24Å; L56-V143 CarbonylContact O-C 3.58Å; L56-V143 WeakPolarHBondContact O-CA 3.39Å; V57-V143 VanDerWaalsContact C-CG1 3.43Å; V57-V143 WeakPolarHBondContact O-CG1 3.07Å; T59-V143 HydrophobicContact CG2-CG2 4.29Å; L137-V143 HydrophobicContact CD2-CG2 4.23Å
144	I	98.4	Very high	97.3	Very high	7 Å²	7	63.2 Å²	63.2	4%	0.036	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-87.9	147.2	173.5	-162.2	58.6	0	0	0	110.1	Y41 L56 V57 L222 G227 V229	Y41-I144 HydrophobicContact CD1-CB 4.09Å; Y41-I144 HydrophobicContact CD1-CD1 3.78Å; Y41-I144 HydrophobicContact CD1-CG1 4.25Å; Y41-I144 HydrophobicContact CD2-CB 3.76Å; Y41-I144 HydrophobicContact CD2-CD1 4.39Å; Y41-I144 HydrophobicContact CD2-CG1 4.01Å; Y41-I144 HydrophobicContact CD2-CG2 4.03Å; Y41-I144 HydrophobicContact CE1-CD1 3.57Å; Y41-I144 HydrophobicContact CE1-CG1 4.23Å; Y41-I144 HydrophobicContact CE2-CB 4.26Å; Y41-I144 HydrophobicContact CE2-CD1 4.19Å; Y41-I144 HydrophobicContact CE2-CG1 3.98Å; Y41-I144 HydrophobicContact CG-CB 3.65Å; Y41-I144 HydrophobicContact CG-CD1 4.19Å; Y41-I144 HydrophobicContact CG-CG1 4.13Å; Y41-I144 HydrophobicContact CG-CG2 4.3Å; L56-I144 PolarHBondContact O-N 3.41Å; V57-I144 HydrophobicContact CG1-CG2 4.05Å; I144-L222 HydrophobicContact CG1-CD2 4.34Å; I144-G227 WeakPolarHBondContact CD1-O 3.43Å; I144-G227 WeakPolarHBondContact CG1-O 3.46Å; I144-V229 HydrophobicContact CB-CG2 4.33Å; I144-V229 HydrophobicContact CG1-CG2 3.95Å; I144-V229 HydrophobicContact CG2-CG2 3.39Å
145	S	97.9	Very high	97.1	Very high	60 Å²	60	61.3 Å²	61.3	42%	0.42	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-73.5	150.2	-178.3	50.2	0	0	0	0	112.7	P228 V229	S145-P228 VanDerWaalsContact O-CA 3.27Å; S145-P228 WeakPolarHBondContact O-CA 3.08Å; S145-P228 WeakPolarHBondContact OG-CA 3.12Å; S145-V229 PolarHBondContact O-N 2.85Å; S145-V229 VanDerWaalsContact O-N 3.13Å
146	L	98.3	Very high	96.9	Very high	37 Å²	37	63.6 Å²	63.6	19%	0.194	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-81.8	148.7	165.3	-64.7	-177.9	0	0	0	110.4	V57 V252 L256 V259 I263	V57-L146 HydrophobicContact CB-CD2 4.05Å; V57-L146 HydrophobicContact CG1-CD2 3.79Å; L146-V252 HydrophobicContact CD2-CG1 4.06Å; L146-L256 HydrophobicContact CB-CD1 4.19Å; L146-L256 HydrophobicContact CD1-CD1 4.08Å; L146-V259 HydrophobicContact CD1-CG1 3.78Å; L146-V259 HydrophobicContact CD2-CG1 3.81Å; L146-V259 HydrophobicContact CG-CG1 4.49Å; L146-I263 HydrophobicContact CD1-CD1 3.99Å
147	P	97.9	Very high	96.8	Very high	1 Å²	1	61 Å²	61	1%	0.006	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-69.9	154.9	172.4	30.4	-34.8	0	0	0	111.1	D151 P228 V229 L230 V252 A253	P147-D151 HydrophobicContact CB-CB 3.66Å; P147-P228 HydrophobicContact CB-CB 4.27Å; P147-V229 WeakPolarHBondContact CD-O 3.49Å; P147-V229 VanDerWaalsContact CG-O 3.32Å; P147-V229 WeakPolarHBondContact CG-O 3.08Å; P147-L230 HydrophobicContact CB-CD2 4.48Å; P147-V252 HydrophobicContact CG-CB 3.81Å; P147-V252 HydrophobicContact CG-CG1 3.7Å; P147-A253 HydrophobicContact CB-CB 4.37Å; P147-A253 HydrophobicContact CG-CB 4.18Å
148	Q	97.6	Very high	96.6	Very high	125 Å²	125	61.4 Å²	61.4	58%	0.584	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-71.6	162.2	162.5	-60.6	-56.4	-50.5	0	0	110.4	S150 D151 A253	Q148-S150 PolarHBondContact O-N 3.31Å; Q148-S150 VanDerWaalsContact O-N 3.1Å; Q148-D151 WeakPolarHBondContact CB-OD2 3.37Å; Q148-D151 PolarHBondContact N-OD2 3.2Å; Q148-D151 WeakPolarHBondContact O-CB 3Å; Q148-D151 PolarHBondContact O-N 3.03Å; Q148-A253 WeakPolarHBondContact O-CB 3.27Å
149	A	96	Very high	96.4	Very high	66 Å²	66	53 Å²	53	55%	0.545	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.6	174.9	0	0	0	0	0	113.1
150	S	95.7	Very high	96.2	Very high	104 Å²	104	53.2 Å²	53.2	73%	0.727	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-12.6	175	51.3	0	0	0	0	114.8	Q148 I152	Q148-S150 PolarHBondContact O-N 3.31Å; Q148-S150 VanDerWaalsContact O-N 3.1Å; S150-I152 PolarHBondContact O-N 2.8Å
151	D	95.6	Very high	95.9	Very high	36 Å²	36	52.4 Å²	52.4	19%	0.193	31%	0.311	C	S	.	.			trans	-79.5	47.1	-180	-77.6	-51.3	0	0	0	112	P147 Q148 P153 R223 L230	P147-D151 HydrophobicContact CB-CB 3.66Å; Q148-D151 WeakPolarHBondContact CB-OD2 3.37Å; Q148-D151 PolarHBondContact N-OD2 3.2Å; Q148-D151 WeakPolarHBondContact O-CB 3Å; Q148-D151 PolarHBondContact O-N 3.03Å; D151-P153 WeakPolarHBondContact O-CD 3.41Å; D151-R223 IonicContact OD1-NH1 3.75Å; D151-R223 PolarHBondContact OD1-NH1 2.94Å; D151-L230 HydrophobicContact CB-CD2 4.32Å
152	I	96.1	Very high	95.6	Very high	70 Å²	70	52.7 Å²	52.7	36%	0.359	31%	0.312	S	S	.	.			trans	-88.5	113.8	171.4	-65.2	172.1	0	0	0	107.2	S150 A253 R254	S150-I152 PolarHBondContact O-N 2.8Å; I152-A253 HydrophobicContact CG1-CB 3.88Å; I152-R254 HydrophobicContact CD1-CG 4.32Å; I152-R254 VanDerWaalsContact CG2-NH1 3.32Å
153	P	96.8	Very high	95.4	Very high	19 Å²	19	46.7 Å²	46.7	12%	0.123	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-69.3	140.5	-179.4	30.1	-35.7	0	0	0	110.8	D151 T157 V188 I200 L230	D151-P153 WeakPolarHBondContact O-CD 3.41Å; P153-T157 HydrophobicContact CB-CG2 3.96Å; P153-V188 HydrophobicContact CB-CG1 4.47Å; P153-V188 HydrophobicContact CB-CG2 3.96Å; P153-V188 HydrophobicContact CG-CG1 4.44Å; P153-V188 HydrophobicContact CG-CG2 4.01Å; P153-I200 HydrophobicContact CG-CD1 3.91Å; P153-I200 HydrophobicContact CG-CG1 4.31Å; P153-I200 HydrophobicContact CG-CG2 4.03Å; P153-L230 HydrophobicContact CB-CD1 4.24Å; P153-L230 HydrophobicContact CG-CD1 4.11Å
154	T	96.1	Very high	95.1	Very high	95 Å²	95	44 Å²	44	58%	0.583	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-86	157.9	174.8	50.8	0	0	0	0	111.2	G156 T157	T154-G156 PolarHBondContact O-N 2.84Å; T154-T157 PolarHBondContact N-OG1 3.49Å; T154-T157 WeakPolarHBondContact O-CB 3.42Å; T154-T157 PolarHBondContact O-N 3.4Å; T154-T157 PolarHBondContact O-OG1 2.99Å; T154-T157 PolarHBondContact OG1-OG1 3.3Å
155	P	95.1	Very high	94.5	Very high	74 Å²	74	43.7 Å²	43.7	48%	0.481	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	138.4	168	-25.6	35	0	0	0	111.8	V188 E190	P155-V188 CarbonylContact C-O 3.31Å; P155-V188 WeakPolarHBondContact CA-O 3.34Å; P155-E190 HydrophobicContact CB-CG 3.97Å; P155-E190 HydrophobicContact CG-CG 3.57Å
156	G	93.9	Very high	93.6	Very high	56 Å²	56	45.4 Å²	45.4	58%	0.577	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-7.1	-170.6	0	0	0	0	0	114.9	T154 D158 V188	T154-G156 PolarHBondContact O-N 2.84Å; G156-D158 PolarHBondContact O-N 3.14Å; G156-V188 PolarHBondContact N-O 3.41Å
157	T	95	Very high	92.3	Very high	36 Å²	36	43.9 Å²	43.9	22%	0.221	26%	0.262	C	S	.	.			trans	-70.5	123.1	176.1	-57.8	0	0	0	0	110.9	P153 T154 V159 T187 V188	P153-T157 HydrophobicContact CB-CG2 3.96Å; T154-T157 PolarHBondContact N-OG1 3.49Å; T154-T157 WeakPolarHBondContact O-CB 3.42Å; T154-T157 PolarHBondContact O-N 3.4Å; T154-T157 PolarHBondContact O-OG1 2.99Å; T154-T157 PolarHBondContact OG1-OG1 3.3Å; T157-V159 HydrophobicContact CG2-CG1 4.17Å; T157-T187 WeakPolarHBondContact O-CA 3.49Å; T157-V188 PolarHBondContact O-N 2.89Å
158	D	92.4	Very high	90.9	Very high	78 Å²	78	46.3 Å²	46.3	42%	0.417	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.5	168.7	-102.7	21.1	0	0	0	111.3	G156 R185 T187	G156-D158 PolarHBondContact O-N 3.14Å; D158-R185 IonicContact OD2-CZ 2.72Å; D158-R185 IonicContact OD2-NE 2.93Å; D158-R185 IonicContact OD2-NH2 3.44Å; D158-R185 PolarHBondContact OD2-NH2 3.09Å; D158-T187 PolarHBondContact OD1-OG1 3.2Å
159	V	93.5	Very high	89.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	152.2	-173.7	-75.1	0	0	0	0	111.3	T157 R185 A186 V188 V202 L221 L230	T157-V159 HydrophobicContact CG2-CG1 4.17Å; V159-R185 WeakPolarHBondContact O-CA 3.36Å; V159-A186 HydrophobicContact CG2-CB 4.26Å; V159-A186 VanDerWaalsContact CG2-O 3.23Å; V159-A186 WeakPolarHBondContact CG2-O 3.1Å; V159-A186 PolarHBondContact N-O 3.38Å; V159-A186 PolarHBondContact O-N 2.78Å; V159-V188 HydrophobicContact CG1-CG2 3.81Å; V159-V188 HydrophobicContact CG2-CG2 3.94Å; V159-V202 HydrophobicContact CG2-CG1 4.34Å; V159-L221 HydrophobicContact CB-CD1 3.84Å; V159-L221 HydrophobicContact CB-CG 4.12Å; V159-L221 HydrophobicContact CG1-CD2 4.46Å; V159-L221 HydrophobicContact CG1-CG 4.29Å; V159-L221 HydrophobicContact CG2-CD1 3.66Å; V159-L221 HydrophobicContact CG2-CG 4.3Å; V159-L230 HydrophobicContact CG1-CD1 3.91Å
160	F	92.3	Very high	87.8	Confident	49 Å²	49	41 Å²	41	22%	0.215	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	142.2	175.9	-70.6	-99.1	0	0	0	110.2	R185 L222 P225	F160-R185 HydrophobicContact CD1-CG 3.96Å; F160-R185 HydrophobicContact CE1-CG 3.85Å; F160-R185 HydrophobicContact CZ-CG 4.3Å; F160-L222 HydrophobicContact CB-CB 4.04Å; F160-L222 PolarHBondContact N-O 2.81Å; F160-L222 PolarHBondContact O-N 3.29Å; F160-P225 HydrophobicContact CD1-CG 3.71Å; F160-P225 HydrophobicContact CD2-CG 4.44Å; F160-P225 HydrophobicContact CE1-CG 3.63Å; F160-P225 HydrophobicContact CE2-CG 4.39Å; F160-P225 HydrophobicContact CG-CG 4.11Å; F160-P225 HydrophobicContact CZ-CG 3.99Å
161	I	91.5	Very high	86.6	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.2	178.9	49.2	168.3	0	0	0	109.2	L26 K183 G184 A186 Q210 L221 Y249	L26-I161 HydrophobicContact CD2-CB 4.43Å; L26-I161 HydrophobicContact CD2-CD1 3.69Å; I161-K183 CarbonylContact O-C 3.6Å; I161-K183 WeakPolarHBondContact O-CA 2.91Å; I161-G184 WeakPolarHBondContact CG1-O 3.19Å; I161-G184 PolarHBondContact N-O 2.69Å; I161-G184 PolarHBondContact O-N 3.16Å; I161-A186 HydrophobicContact CD1-CB 4.15Å; I161-A186 HydrophobicContact CG2-CB 4.38Å; I161-Q210 HydrophobicContact CD1-CB 4.41Å; I161-Q210 VanDerWaalsContact CD1-OE1 3.31Å; I161-L221 HydrophobicContact CG2-CD1 3.57Å; I161-Y249 VanDerWaalsContact CG2-OH 3.23Å; I161-Y249 WeakPolarHBondContact CG2-OH 3.48Å
162	V	92.2	Very high	85.3	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.03	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	136.4	-178.1	55.6	0	0	0	0	110	F39 I42 L181 K182 P220 L222	F39-V162 HydrophobicContact CB-CG2 4.47Å; F39-V162 HydrophobicContact CD1-CB 4.11Å; F39-V162 HydrophobicContact CD1-CG1 3.87Å; F39-V162 HydrophobicContact CD1-CG2 3.95Å; F39-V162 HydrophobicContact CD2-CG2 4.19Å; F39-V162 HydrophobicContact CE1-CB 4.03Å; F39-V162 HydrophobicContact CE1-CG1 4.01Å; F39-V162 HydrophobicContact CE1-CG2 4.24Å; F39-V162 HydrophobicContact CE2-CG2 4.46Å; F39-V162 HydrophobicContact CG-CG2 3.94Å; F39-V162 HydrophobicContact CZ-CB 4.43Å; F39-V162 HydrophobicContact CZ-CG2 4.49Å; I42-V162 HydrophobicContact CD1-CG1 3.73Å; I42-V162 HydrophobicContact CD1-CG2 4.21Å; I42-V162 HydrophobicContact CG1-CG2 4.32Å; V162-L181 HydrophobicContact CG2-CD1 3.54Å; V162-L181 HydrophobicContact CG2-CG 4.3Å; V162-K182 WeakPolarHBondContact CA-O 3.35Å; V162-P220 HydrophobicContact CG1-CG 3.69Å; V162-L222 HydrophobicContact CG1-CD1 3.64Å
163	G	93.7	Very high	84.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	172.4	-176.1	0	0	0	0	0	114.4	T53 K182 D216	T53-G163 WeakPolarHBondContact OG1-CA 3.33Å; G163-K182 PolarHBondContact N-O 2.98Å; G163-K182 VanDerWaalsContact N-O 3.1Å; G163-K182 PolarHBondContact O-N 2.93Å; G163-D216 WeakPolarHBondContact CA-OD1 3.49Å
164	Y	92	Very high	82.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.285	C	S	.	.			trans	-100.4	24.4	179.2	-63.6	-88.5	0	0	0	112.9	I42 F44 T53 T82 G179 L181	I42-Y164 HydrophobicContact CG1-CE2 4.18Å; I42-Y164 HydrophobicContact CG2-CE2 4.46Å; F44-Y164 HydrophobicContact CB-CD2 4.33Å; F44-Y164 HydrophobicContact CB-CE1 4.37Å; F44-Y164 HydrophobicContact CB-CE2 3.89Å; F44-Y164 AromaticContact CD2-CD1 3.71Å; F44-Y164 HydrophobicContact CD2-CD1 3.71Å; F44-Y164 AromaticContact CD2-CD2 3.76Å; F44-Y164 HydrophobicContact CD2-CD2 3.76Å; F44-Y164 HydrophobicContact CD2-CE1 4.06Å; F44-Y164 HydrophobicContact CD2-CE2 4.13Å; F44-Y164 AromaticContact CD2-CG 3.54Å; F44-Y164 HydrophobicContact CD2-CG 3.54Å; F44-Y164 HydrophobicContact CE2-CD1 4.29Å; F44-Y164 HydrophobicContact CE2-CG 4.13Å; T53-Y164 HydrophobicContact CG2-CD2 4.09Å; T53-Y164 HydrophobicContact CG2-CE2 4.35Å; T53-Y164 WeakPolarHBondContact OG1-CD2 3.38Å; T53-Y164 PolarHBondContact OG1-N 3.31Å; T53-Y164 VanDerWaalsContact OG1-N 3.16Å; T82-Y164 HydrophobicContact CG2-CE1 4.35Å; T82-Y164 VanDerWaalsContact CG2-OH 3.32Å; T82-Y164 WeakPolarHBondContact CG2-OH 3.47Å; T82-Y164 WeakPolarHBondContact O-CE1 3.34Å; T82-Y164 PolarHBondContact O-OH 3.27Å; Y164-G179 WeakPolarHBondContact O-CA 3.44Å; Y164-G179 PolarHBondContact O-N 2.89Å; Y164-L181 HydrophobicContact CD1-CB 4.04Å; Y164-L181 HydrophobicContact CD1-CD1 4.41Å; Y164-L181 HydrophobicContact CD2-CD1 4.33Å; Y164-L181 HydrophobicContact CE1-CB 3.65Å; Y164-L181 HydrophobicContact CE1-CD1 4.04Å; Y164-L181 HydrophobicContact CE1-CG 4.34Å; Y164-L181 HydrophobicContact CE2-CD1 3.93Å
165	G	85.7	Confident	81.6	Confident	2 Å²	2	50.8 Å²	50.8	2%	0.021	27%	0.269	C	S	.	.			trans	-51.9	151.5	-175.5	0	0	0	0	0	116.6	D167 G178 D216	G165-D167 PolarHBondContact O-N 3.17Å; G165-G178 VanDerWaalsContact O-CA 3.26Å; G165-G178 WeakPolarHBondContact O-CA 3.48Å; G165-D216 WeakPolarHBondContact CA-OD1 3.38Å; G165-D216 WeakPolarHBondContact CA-OD2 3.43Å; G165-D216 PolarHBondContact N-OD1 3.05Å
166	R	77.7	Confident	80.6	Confident	96 Å²	96	52 Å²	52	36%	0.362	26%	0.264	S	S	.	.			trans	-65	123	164	-156.7	-173.6	160.3	-177.2	-12.7	110.9	W25 D168 R176 A213 P214	W25-R166 HydrophobicContact CE3-CB 4.35Å; W25-R166 HydrophobicContact CE3-CG 4.32Å; W25-R166 HydrophobicContact CH2-CG 4.39Å; W25-R166 VanDerWaalsContact CH2-CZ 3.42Å; W25-R166 HydrophobicContact CZ3-CB 4.01Å; W25-R166 HydrophobicContact CZ3-CG 3.55Å; W25-R166 VanDerWaalsContact CZ3-NE 3.32Å; R166-D168 IonicContact CZ-OD1 2.78Å; R166-D168 IonicContact CZ-OD2 2.94Å; R166-D168 IonicContact NE-OD1 3.32Å; R166-D168 PolarHBondContact NE-OD1 3.22Å; R166-D168 VanDerWaalsContact NH2-CG 3.31Å; R166-D168 IonicContact NH2-OD1 3.61Å; R166-D168 PolarHBondContact NH2-OD1 3.06Å; R166-D168 IonicContact NH2-OD2 3.58Å; R166-D168 PolarHBondContact NH2-OD2 2.86Å; R166-D168 VanDerWaalsContact NH2-OD2 3.14Å; R166-R176 WeakPolarHBondContact CG-O 3.27Å; R166-R176 PolarHBondContact NE-O 3.21Å; R166-R176 VanDerWaalsContact NE-O 3.16Å; R166-A213 HydrophobicContact CB-CB 3.94Å; R166-A213 WeakPolarHBondContact O-CB 3.34Å; R166-P214 PolarHBondContact N-O 2.75Å
167	D	72.5	Confident	79.7	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	27%	0.265	C	S	.	.			trans	-125.5	92.1	175.4	176.3	15.1	0	0	0	110.8	G165 N169 D170 R176 K182	G165-D167 PolarHBondContact O-N 3.17Å; D167-N169 PolarHBondContact O-N 3.06Å; D167-N169 WeakPolarHBondContact OD1-CA 3.07Å; D167-N169 WeakPolarHBondContact OD1-CB 3.14Å; D167-N169 PolarHBondContact OD1-N 2.73Å; D167-D170 WeakPolarHBondContact O-CB 3.42Å; D167-D170 PolarHBondContact O-N 3.1Å; D167-D170 VanDerWaalsContact O-N 3.09Å; D167-R176 WeakPolarHBondContact O-CA 3.47Å; D167-K182 VanDerWaalsContact CB-NZ 3.25Å; D167-K182 IonicContact OD2-NZ 3.14Å; D167-K182 PolarHBondContact OD2-NZ 2.82Å
168	D	68.4	Low	79.1	Confident	53 Å²	53	51.6 Å²	51.6	28%	0.283	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-8.7	178.3	-96.8	16.5	0	0	0	114.6	W25 R166 R176	W25-D168 HydrophobicContact CD2-CB 4.28Å; W25-D168 HydrophobicContact CE3-CB 3.8Å; W25-D168 HydrophobicContact CH2-CB 3.8Å; W25-D168 WeakPolarHBondContact CH2-OD1 3.28Å; W25-D168 WeakPolarHBondContact CH2-OD2 3.12Å; W25-D168 HydrophobicContact CZ2-CB 4.27Å; W25-D168 WeakPolarHBondContact CZ2-OD2 3.24Å; W25-D168 HydrophobicContact CZ3-CB 3.48Å; W25-D168 VanDerWaalsContact CZ3-CB 3.48Å; W25-D168 WeakPolarHBondContact CZ3-OD1 3.36Å; R166-D168 IonicContact CZ-OD1 2.78Å; R166-D168 IonicContact CZ-OD2 2.94Å; R166-D168 IonicContact NE-OD1 3.32Å; R166-D168 PolarHBondContact NE-OD1 3.22Å; R166-D168 VanDerWaalsContact NH2-CG 3.31Å; R166-D168 IonicContact NH2-OD1 3.61Å; R166-D168 PolarHBondContact NH2-OD1 3.06Å; R166-D168 IonicContact NH2-OD2 3.58Å; R166-D168 PolarHBondContact NH2-OD2 2.86Å; R166-D168 VanDerWaalsContact NH2-OD2 3.14Å; D168-R176 WeakPolarHBondContact O-CD 3.36Å; D168-R176 PolarHBondContact O-NE 3.48Å
169	N	62.8	Low	78.7	Confident	73 Å²	73	48 Å²	48	39%	0.39	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	8.9	-179.3	-58.5	-111.3	0	0	0	111.7	R28 D167 R171	R28-N169 HydrophobicContact CG-CB 3.97Å; R28-N169 PolarHBondContact NE-ND2 3.13Å; R28-N169 PolarHBondContact NE-OD1 3.37Å; R28-N169 PolarHBondContact NH2-OD1 2.82Å; D167-N169 PolarHBondContact O-N 3.06Å; D167-N169 WeakPolarHBondContact OD1-CA 3.07Å; D167-N169 WeakPolarHBondContact OD1-CB 3.14Å; D167-N169 PolarHBondContact OD1-N 2.73Å; N169-R171 PolarHBondContact O-N 3.08Å
170	D	65.3	Low	78.5	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.037	25%	0.245	C	C	.	.			trans	-59.7	135.4	170.5	-157.5	-50.6	0	0	0	110.4	D167 D172 R175 R176 K182	D167-D170 WeakPolarHBondContact O-CB 3.42Å; D167-D170 PolarHBondContact O-N 3.1Å; D167-D170 VanDerWaalsContact O-N 3.09Å; D170-D172 PolarHBondContact O-N 2.94Å; D170-D172 PolarHBondContact OD1-N 3.46Å; D170-R175 HydrophobicContact CB-CB 4.05Å; D170-R175 VanDerWaalsContact CG-CB 3.5Å; D170-R175 IonicContact OD1-CZ 2.75Å; D170-R175 VanDerWaalsContact OD1-CZ 3.23Å; D170-R175 IonicContact OD1-NE 2.71Å; D170-R175 PolarHBondContact OD1-NE 3.46Å; D170-R175 IonicContact OD1-NH2 2.79Å; D170-R175 PolarHBondContact OD1-NH2 3.27Å; D170-R175 VanDerWaalsContact OD2-CB 3.28Å; D170-R175 WeakPolarHBondContact OD2-CB 3.05Å; D170-R175 IonicContact OD2-CZ 3.6Å; D170-R175 IonicContact OD2-NE 3.21Å; D170-R175 PolarHBondContact OD2-NE 2.93Å; D170-R175 IonicContact OD2-NH2 2.69Å; D170-R175 PolarHBondContact OD2-NH2 2.91Å; D170-R176 HydrophobicContact CB-CG 4.03Å; D170-R176 PolarHBondContact O-NE 2.88Å; D170-R176 PolarHBondContact O-NH2 2.86Å; D170-K182 WeakPolarHBondContact OD2-CE 3.5Å; D170-K182 IonicContact OD2-NZ 3.94Å; D170-K182 PolarHBondContact OD2-NZ 3.45Å
171	R	70.9	Confident	78.5	Confident	238 Å²	238	46.7 Å²	46.7	90%	0.898	24%	0.236	S	C	*	.	S	Bend	trans	-63.6	-28.9	177.5	-66.2	-177.3	178.7	173.6	-0.6	112	N169	N169-R171 PolarHBondContact O-N 3.08Å
172	D	68.3	Low	78.4	Confident	63 Å²	63	46.6 Å²	46.6	34%	0.337	24%	0.236	S	C	.	.	S	Bend	trans	-96.4	113.7	172.8	174.3	-6.2	0	0	0	109.4	D170 S174 R175	D170-D172 PolarHBondContact O-N 2.94Å; D170-D172 PolarHBondContact OD1-N 3.46Å; D172-S174 PolarHBondContact O-N 2.87Å; D172-S174 VanDerWaalsContact O-N 3.17Å; D172-S174 VanDerWaalsContact OD1-CB 3.27Å; D172-S174 WeakPolarHBondContact OD1-CB 3.47Å; D172-S174 PolarHBondContact OD1-N 3.37Å; D172-S174 PolarHBondContact OD1-OG 2.87Å; D172-S174 PolarHBondContact OD2-OG 3.27Å; D172-S174 VanDerWaalsContact OD2-OG 3.06Å; D172-R175 HydrophobicContact CB-CB 4.49Å; D172-R175 HydrophobicContact CB-CG 3.83Å; D172-R175 WeakPolarHBondContact O-CB 3.26Å; D172-R175 PolarHBondContact O-N 2.95Å; D172-R175 WeakPolarHBondContact OD2-CG 3.28Å
173	P	73.1	Confident	78.2	Confident	91 Å²	91	48 Å²	48	59%	0.591	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-56.7	-28.9	179.4	-26.5	36.1	0	0	0	114.5	R175 R176	P173-R175 PolarHBondContact O-N 3.16Å; P173-R176 WeakPolarHBondContact O-CB 2.95Å; P173-R176 PolarHBondContact O-N 2.95Å
174	S	69.1	Low	77.9	Confident	71 Å²	71	48.7 Å²	48.7	50%	0.497	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-66.3	-19.2	179.2	78.3	0	0	0	0	113.2	D172	D172-S174 PolarHBondContact O-N 2.87Å; D172-S174 VanDerWaalsContact O-N 3.17Å; D172-S174 VanDerWaalsContact OD1-CB 3.27Å; D172-S174 WeakPolarHBondContact OD1-CB 3.47Å; D172-S174 PolarHBondContact OD1-N 3.37Å; D172-S174 PolarHBondContact OD1-OG 2.87Å; D172-S174 PolarHBondContact OD2-OG 3.27Å; D172-S174 VanDerWaalsContact OD2-OG 3.06Å
175	R	69.1	Low	77.7	Confident	66 Å²	66	54.9 Å²	54.9	25%	0.249	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-93.4	-13.1	-178.9	-53	-159.5	-56.7	-163.9	-4.5	112.9	D170 D172 P173 A177 G178 I180	D170-R175 HydrophobicContact CB-CB 4.05Å; D170-R175 VanDerWaalsContact CG-CB 3.5Å; D170-R175 IonicContact OD1-CZ 2.75Å; D170-R175 VanDerWaalsContact OD1-CZ 3.23Å; D170-R175 IonicContact OD1-NE 2.71Å; D170-R175 PolarHBondContact OD1-NE 3.46Å; D170-R175 IonicContact OD1-NH2 2.79Å; D170-R175 PolarHBondContact OD1-NH2 3.27Å; D170-R175 VanDerWaalsContact OD2-CB 3.28Å; D170-R175 WeakPolarHBondContact OD2-CB 3.05Å; D170-R175 IonicContact OD2-CZ 3.6Å; D170-R175 IonicContact OD2-NE 3.21Å; D170-R175 PolarHBondContact OD2-NE 2.93Å; D170-R175 IonicContact OD2-NH2 2.69Å; D170-R175 PolarHBondContact OD2-NH2 2.91Å; D172-R175 HydrophobicContact CB-CB 4.49Å; D172-R175 HydrophobicContact CB-CG 3.83Å; D172-R175 WeakPolarHBondContact O-CB 3.26Å; D172-R175 PolarHBondContact O-N 2.95Å; D172-R175 WeakPolarHBondContact OD2-CG 3.28Å; P173-R175 PolarHBondContact O-N 3.16Å; R175-A177 VanDerWaalsContact C-N 3.28Å; R175-A177 PolarHBondContact O-N 2.92Å; R175-G178 PolarHBondContact O-N 3.13Å; R175-G178 VanDerWaalsContact O-N 3.1Å; R175-I180 HydrophobicContact CB-CD1 3.65Å; R175-I180 VanDerWaalsContact CD-CD1 3.42Å; R175-I180 HydrophobicContact CG-CD1 3.33Å
176	R	72.9	Confident	77.8	Confident	99 Å²	99	54.9 Å²	54.9	37%	0.374	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.4	-175.5	-66.9	-177	-175.4	176.3	1.9	114.4	R166 D167 D168 D170 P173 G178	R166-R176 WeakPolarHBondContact CG-O 3.27Å; R166-R176 PolarHBondContact NE-O 3.21Å; R166-R176 VanDerWaalsContact NE-O 3.16Å; D167-R176 WeakPolarHBondContact O-CA 3.47Å; D168-R176 WeakPolarHBondContact O-CD 3.36Å; D168-R176 PolarHBondContact O-NE 3.48Å; D170-R176 HydrophobicContact CB-CG 4.03Å; D170-R176 PolarHBondContact O-NE 2.88Å; D170-R176 PolarHBondContact O-NH2 2.86Å; P173-R176 WeakPolarHBondContact O-CB 2.95Å; P173-R176 PolarHBondContact O-N 2.95Å; R176-G178 PolarHBondContact O-N 3.32Å
177	A	75.6	Confident	78.4	Confident	71 Å²	71	51.9 Å²	51.9	59%	0.587	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-3.6	173.2	0	0	0	0	0	113.4	M51 R175	M51-A177 WeakPolarHBondContact CE-O 3.44Å; R175-A177 VanDerWaalsContact C-N 3.28Å; R175-A177 PolarHBondContact O-N 2.92Å
178	G	82.4	Confident	79.4	Confident	13 Å²	13	51.9 Å²	51.9	13%	0.134	26%	0.264	C	S	.	.			trans	79.5	-162	-174.8	0	0	0	0	0	111.9	G165 R175 R176 I180	G165-G178 VanDerWaalsContact O-CA 3.26Å; G165-G178 WeakPolarHBondContact O-CA 3.48Å; R175-G178 PolarHBondContact O-N 3.13Å; R175-G178 VanDerWaalsContact O-N 3.1Å; R176-G178 PolarHBondContact O-N 3.32Å; G178-I180 VanDerWaalsContact C-N 3.34Å
179	G	84.3	Confident	80.5	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.01	27%	0.266	C	S	.	.			trans	70.5	32.7	-173.8	0	0	0	0	0	111.8	M51 R84 N85 Y164	M51-G179 VanDerWaalsContact CE-N 3.33Å; R84-G179 CarbonylContact C-O 3.57Å; R84-G179 WeakPolarHBondContact CA-O 3.34Å; R84-G179 WeakPolarHBondContact CB-O 3.22Å; N85-G179 PolarHBondContact N-O 3.1Å; Y164-G179 WeakPolarHBondContact O-CA 3.44Å; Y164-G179 PolarHBondContact O-N 2.89Å
180	I	88.7	Confident	81.9	Confident	18 Å²	18	53.9 Å²	53.9	9%	0.092	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-131.8	129.5	171.1	-68.8	-174.2	0	0	0	108.3	L83 R84 R175 G178 K182	L83-I180 WeakPolarHBondContact O-CA 3.18Å; R84-I180 HydrophobicContact CB-CD1 4.47Å; R84-I180 HydrophobicContact CB-CG1 3.78Å; R175-I180 HydrophobicContact CB-CD1 3.65Å; R175-I180 VanDerWaalsContact CD-CD1 3.42Å; R175-I180 HydrophobicContact CG-CD1 3.33Å; G178-I180 VanDerWaalsContact C-N 3.34Å; I180-K182 PolarHBondContact O-N 2.86Å
181	L	91.6	Very high	83.1	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	28%	0.281	C	S	.	.			trans	-67.5	120.1	-177.1	-172.8	62.7	0	0	0	109.8	V33 I42 L83 V162 Y164	V33-L181 HydrophobicContact CB-CB 4.32Å; V33-L181 HydrophobicContact CB-CD2 3.91Å; V33-L181 HydrophobicContact CB-CG 3.96Å; V33-L181 HydrophobicContact CG1-CD2 3.96Å; V33-L181 HydrophobicContact CG2-CD2 3.99Å; V33-L181 HydrophobicContact CG2-CG 3.77Å; V33-L181 PolarHBondContact N-O 3.4Å; I42-L181 HydrophobicContact CG1-CD1 4.04Å; I42-L181 HydrophobicContact CG2-CD1 3.97Å; I42-L181 HydrophobicContact CG2-CD2 3.8Å; L83-L181 HydrophobicContact CD2-CD2 4.15Å; L83-L181 PolarHBondContact O-N 3.42Å; V162-L181 HydrophobicContact CG2-CD1 3.54Å; V162-L181 HydrophobicContact CG2-CG 4.3Å; Y164-L181 HydrophobicContact CD1-CB 4.04Å; Y164-L181 HydrophobicContact CD1-CD1 4.41Å; Y164-L181 HydrophobicContact CD2-CD1 4.33Å; Y164-L181 HydrophobicContact CE1-CB 3.65Å; Y164-L181 HydrophobicContact CE1-CD1 4.04Å; Y164-L181 HydrophobicContact CE1-CG 4.34Å; Y164-L181 HydrophobicContact CE2-CD1 3.93Å
182	K	89.8	Confident	84	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.017	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.2	176.9	-67.9	175.4	170.5	174.5	0	110.8	V27 E31 P32 V162 G163 D167 D170 I180	V27-K182 HydrophobicContact CB-CB 3.98Å; V27-K182 HydrophobicContact CB-CD 4.21Å; V27-K182 HydrophobicContact CG1-CB 3.24Å; V27-K182 HydrophobicContact CG1-CD 4.08Å; V27-K182 HydrophobicContact CG1-CG 4.28Å; V27-K182 HydrophobicContact CG2-CB 4.37Å; E31-K182 CarbonylContact O-C 3.58Å; E31-K182 VanDerWaalsContact O-CA 3.26Å; E31-K182 WeakPolarHBondContact O-CA 3.18Å; P32-K182 HydrophobicContact CB-CG 4.45Å; V162-K182 WeakPolarHBondContact CA-O 3.35Å; G163-K182 PolarHBondContact N-O 2.98Å; G163-K182 VanDerWaalsContact N-O 3.1Å; G163-K182 PolarHBondContact O-N 2.93Å; D167-K182 VanDerWaalsContact CB-NZ 3.25Å; D167-K182 IonicContact OD2-NZ 3.14Å; D167-K182 PolarHBondContact OD2-NZ 2.82Å; D170-K182 WeakPolarHBondContact OD2-CE 3.5Å; D170-K182 IonicContact OD2-NZ 3.94Å; D170-K182 PolarHBondContact OD2-NZ 3.45Å; I180-K182 PolarHBondContact O-N 2.86Å
183	K	89.4	Confident	84.9	Confident	35 Å²	35	49.6 Å²	49.6	15%	0.152	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	154.6	177.9	67.7	-170.8	175.1	-166.1	0	111.5	G30 E31 V33 E38 F39 I161	G30-K183 CarbonylContact C-O 3.39Å; G30-K183 VanDerWaalsContact CA-O 3.27Å; G30-K183 WeakPolarHBondContact CA-O 3.47Å; E31-K183 HydrophobicContact CB-CG 4.05Å; E31-K183 PolarHBondContact N-O 3.49Å; E31-K183 PolarHBondContact O-N 2.96Å; E31-K183 WeakPolarHBondContact OE1-CE 3.42Å; E31-K183 IonicContact OE1-NZ 2.72Å; E31-K183 PolarHBondContact OE1-NZ 2.95Å; E31-K183 WeakPolarHBondContact OE2-CE 3.35Å; E31-K183 IonicContact OE2-NZ 3.94Å; V33-K183 HydrophobicContact CG2-CB 4.11Å; V33-K183 HydrophobicContact CG2-CD 4.19Å; V33-K183 HydrophobicContact CG2-CG 4.25Å; E38-K183 WeakPolarHBondContact OE1-CD 3.45Å; E38-K183 WeakPolarHBondContact OE1-CE 3.42Å; E38-K183 IonicContact OE1-NZ 3.23Å; E38-K183 PolarHBondContact OE1-NZ 3.03Å; E38-K183 IonicContact OE2-NZ 2.9Å; E38-K183 PolarHBondContact OE2-NZ 2.79Å; F39-K183 HydrophobicContact CE2-CB 3.84Å; F39-K183 HydrophobicContact CE2-CD 3.86Å; F39-K183 HydrophobicContact CE2-CG 4.46Å; F39-K183 HydrophobicContact CZ-CB 3.91Å; F39-K183 HydrophobicContact CZ-CD 4.31Å; I161-K183 CarbonylContact O-C 3.6Å; I161-K183 WeakPolarHBondContact O-CA 2.91Å
184	G	86.4	Confident	85.6	Confident	13 Å²	13	50.7 Å²	50.7	13%	0.134	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	177.2	177.3	0	0	0	0	0	112.8	I161	I161-G184 WeakPolarHBondContact CG1-O 3.19Å; I161-G184 PolarHBondContact N-O 2.69Å; I161-G184 PolarHBondContact O-N 3.16Å
185	R	87.9	Confident	86.7	Confident	130 Å²	130	49.3 Å²	49.3	49%	0.491	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	142	172.1	-73	177.6	70.9	153.1	-0.1	109.4	D158 V159 F160	D158-R185 IonicContact OD2-CZ 2.72Å; D158-R185 IonicContact OD2-NE 2.93Å; D158-R185 IonicContact OD2-NH2 3.44Å; D158-R185 PolarHBondContact OD2-NH2 3.09Å; V159-R185 WeakPolarHBondContact O-CA 3.36Å; F160-R185 HydrophobicContact CD1-CG 3.96Å; F160-R185 HydrophobicContact CE1-CG 3.85Å; F160-R185 HydrophobicContact CZ-CG 4.3Å
186	A	87.6	Confident	87.8	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.017	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	172.8	178.4	0	0	0	0	0	109.7	V159 I161 V202	V159-A186 HydrophobicContact CG2-CB 4.26Å; V159-A186 VanDerWaalsContact CG2-O 3.23Å; V159-A186 WeakPolarHBondContact CG2-O 3.1Å; V159-A186 PolarHBondContact N-O 3.38Å; V159-A186 PolarHBondContact O-N 2.78Å; I161-A186 HydrophobicContact CD1-CB 4.15Å; I161-A186 HydrophobicContact CG2-CB 4.38Å; A186-V202 HydrophobicContact CB-CG1 3.39Å
187	T	91	Very high	88.7	Confident	34 Å²	34	43.8 Å²	43.8	21%	0.209	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.7	-179.6	-51.6	0	0	0	0	109.1	T157 D158 M189 Q203	T157-T187 WeakPolarHBondContact O-CA 3.49Å; D158-T187 PolarHBondContact OD1-OG1 3.2Å; T187-M189 HydrophobicContact CG2-SD 4.36Å; T187-Q203 PolarHBondContact N-O 3.09Å; T187-Q203 PolarHBondContact O-N 3.02Å
188	V	93.4	Very high	89.6	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	137.3	174.6	176	0	0	0	0	109.2	P153 P155 G156 T157 V159 I200 C201 V202	P153-V188 HydrophobicContact CB-CG1 4.47Å; P153-V188 HydrophobicContact CB-CG2 3.96Å; P153-V188 HydrophobicContact CG-CG1 4.44Å; P153-V188 HydrophobicContact CG-CG2 4.01Å; P155-V188 CarbonylContact C-O 3.31Å; P155-V188 WeakPolarHBondContact CA-O 3.34Å; G156-V188 PolarHBondContact N-O 3.41Å; T157-V188 PolarHBondContact O-N 2.89Å; V159-V188 HydrophobicContact CG1-CG2 3.81Å; V159-V188 HydrophobicContact CG2-CG2 3.94Å; V188-I200 HydrophobicContact CG1-CG2 3.9Å; V188-I200 HydrophobicContact CG2-CG2 4.03Å; V188-C201 WeakPolarHBondContact CA-O 3.37Å; V188-V202 HydrophobicContact CG2-CG2 4.34Å
189	M	91.5	Very high	90.2	Very high	64 Å²	64	44.2 Å²	44.2	32%	0.315	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	160.9	-174.4	-61.2	-59.3	-77.2	0	0	110.8	T187 C191 C201 Q203 L246	T187-M189 HydrophobicContact CG2-SD 4.36Å; M189-C191 PolarHBondContact O-N 2.9Å; M189-C201 PolarHBondContact N-O 2.87Å; M189-C201 WeakPolarHBondContact O-CB 3.37Å; M189-Q203 HydrophobicContact CG-CB 3.67Å; M189-L246 HydrophobicContact CB-CD1 4.28Å
190	E	92.4	Very high	90.8	Very high	104 Å²	104	44.6 Å²	44.6	49%	0.486	24%	0.238	S	C	.	.			trans	-65.7	130.9	168.3	-65.1	177.8	149.9	0	0	111	P155 K192 R242	P155-E190 HydrophobicContact CB-CG 3.97Å; P155-E190 HydrophobicContact CG-CG 3.57Å; E190-K192 HydrophobicContact CB-CG 4.05Å; E190-K192 PolarHBondContact O-N 3.14Å; E190-K192 WeakPolarHBondContact OE2-CE 3.36Å; E190-K192 IonicContact OE2-NZ 2.72Å; E190-K192 PolarHBondContact OE2-NZ 3.13Å; E190-R242 PolarHBondContact O-NH2 2.96Å
191	C	90.8	Very high	91	Very high	38 Å²	38	43.8 Å²	43.8	26%	0.257	23%	0.234	S	C	.	.			trans	-68.9	88.8	167.6	-59	0	0	0	0	110	M189 H193 T195 P199 C201	M189-C191 PolarHBondContact O-N 2.9Å; C191-H193 PolarHBondContact O-N 2.61Å; C191-T195 HydrophobicContact CB-CG2 3.93Å; C191-P199 PolarHBondContact SG-O 3.12Å; C191-P199 VanDerWaalsContact SG-O 3.4Å; C191-C201 WeakPolarHBondContact CA-SG 3.25Å; C191-C201 HydrophobicContact CB-CB 4.02Å; C191-C201 WeakPolarHBondContact CB-SG 3.32Å; C191-C201 WeakPolarHBondContact SG-CB 3.47Å; C191-C201 CovalentContact SG-SG 2.02Å; C191-C201 PolarHBondContact SG-SG 3.34Å
192	K	88.5	Confident	90.9	Very high	132 Å²	132	43.7 Å²	43.7	57%	0.574	23%	0.234	S	C	*	.			trans	-85.8	44.9	-178.2	-59.7	-162.7	-178.7	-159.8	0	112.8	E190	E190-K192 HydrophobicContact CB-CG 4.05Å; E190-K192 PolarHBondContact O-N 3.14Å; E190-K192 WeakPolarHBondContact OE2-CE 3.36Å; E190-K192 IonicContact OE2-NZ 2.72Å; E190-K192 PolarHBondContact OE2-NZ 3.13Å
193	H	86.9	Confident	90.6	Very high	47 Å²	47	44.8 Å²	44.8	22%	0.218	24%	0.239	C	C	.	.	S	Bend	trans	-159.7	169.1	179.7	59.7	-83.5	0	0	0	110.2	C191 T195 L239 E248	C191-H193 PolarHBondContact O-N 2.61Å; H193-T195 WeakPolarHBondContact NE2-CG2 3.12Å; H193-T195 PolarHBondContact O-N 2.96Å; H193-L239 HydrophobicContact CB-CD2 3.84Å; H193-E248 IonicContact CD2-OE1 3.27Å; H193-E248 IonicContact CE1-OE1 2.68Å; H193-E248 IonicContact NE2-OE1 2.98Å; H193-E248 PolarHBondContact NE2-OE1 3.1Å
194	S	89.1	Confident	89.6	Confident	115 Å²	115	43.7 Å²	43.7	80%	0.804	24%	0.236	S	C	*	.			trans	-70.1	125.4	178	-173.2	0	0	0	0	110.7
195	T	90.7	Very high	88.2	Confident	42 Å²	42	44.8 Å²	44.8	26%	0.258	24%	0.244	S	C	.	.			trans	-128.1	161.6	-179.8	61.3	0	0	0	0	111.3	C191 H193 P199 E248	C191-T195 HydrophobicContact CB-CG2 3.93Å; H193-T195 WeakPolarHBondContact NE2-CG2 3.12Å; H193-T195 PolarHBondContact O-N 2.96Å; T195-P199 HydrophobicContact CG2-CG 3.91Å; T195-E248 WeakPolarHBondContact CG2-OE1 3.44Å
196	T	92.4	Very high	86.2	Confident	26 Å²	26	48.3 Å²	48.3	16%	0.16	26%	0.259	C	S	.	.	S	Bend	trans	-122.8	131.9	175.1	-34.9	0	0	0	0	110.2	Q119 T120 L121 G123 F124 N198	Q119-T196 VanDerWaalsContact CG-OG1 3.3Å; Q119-T196 WeakPolarHBondContact CG-OG1 3.11Å; Q119-T196 PolarHBondContact NE2-OG1 2.84Å; T120-T196 WeakPolarHBondContact O-CB 3.43Å; T120-T196 PolarHBondContact O-OG1 3.06Å; L121-T196 HydrophobicContact CD2-CG2 3.77Å; G123-T196 WeakPolarHBondContact CA-O 3.34Å; G123-T196 PolarHBondContact N-O 2.91Å; F124-T196 HydrophobicContact CE2-CG2 4.09Å; T196-N198 VanDerWaalsContact C-N 3.35Å
197	G	92.5	Very high	83.9	Confident	22 Å²	22	53 Å²	53	23%	0.227	29%	0.287	C	S	.	.	S	Bend	trans	80	9.1	-178.1	0	0	0	0	0	115.2	F124	F124-G197 VanDerWaalsContact CZ-CA 3.48Å
198	N	94.4	Very high	81.4	Confident	92 Å²	92	55.8 Å²	55.8	49%	0.492	30%	0.297	S	S	.	.			trans	53	61.7	178.3	-168.5	4.6	0	0	0	112.9	T196 R254	T196-N198 VanDerWaalsContact C-N 3.35Å; N198-R254 PolarHBondContact ND2-NE 2.95Å; N198-R254 PolarHBondContact ND2-NH2 2.85Å; N198-R254 VanDerWaalsContact ND2-NH2 3.2Å; N198-R254 WeakPolarHBondContact O-CD 3.48Å; N198-R254 PolarHBondContact O-NE 3.03Å; N198-R254 VanDerWaalsContact O-NE 3.16Å; N198-R254 PolarHBondContact OD1-NH2 3.06Å
199	P	95.5	Very high	78.6	Confident	2 Å²	2	57 Å²	57	1%	0.013	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-63.5	160.5	177.9	29.6	-35.4	0	0	0	111.7	C191 T195 E248 Y249	C191-P199 PolarHBondContact SG-O 3.12Å; C191-P199 VanDerWaalsContact SG-O 3.4Å; T195-P199 HydrophobicContact CG2-CG 3.91Å; P199-E248 HydrophobicContact CB-CB 4.2Å; P199-E248 HydrophobicContact CB-CG 4.3Å; P199-E248 HydrophobicContact CG-CG 4.11Å; P199-E248 WeakPolarHBondContact CG-OE2 3.49Å; P199-Y249 CarbonylContact C-O 3.54Å; P199-Y249 WeakPolarHBondContact CA-O 3.37Å; P199-Y249 WeakPolarHBondContact CB-O 3.33Å
200	I	95.6	Very high	76.2	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119.6	168.3	-60.4	161.8	0	0	0	107.3	P153 V188 V202 L221 L230 Y249	P153-I200 HydrophobicContact CG-CD1 3.91Å; P153-I200 HydrophobicContact CG-CG1 4.31Å; P153-I200 HydrophobicContact CG-CG2 4.03Å; V188-I200 HydrophobicContact CG1-CG2 3.9Å; V188-I200 HydrophobicContact CG2-CG2 4.03Å; I200-V202 HydrophobicContact CG2-CG2 3.98Å; I200-L221 HydrophobicContact CB-CD2 4.49Å; I200-L221 HydrophobicContact CD1-CD2 4.48Å; I200-L221 HydrophobicContact CG2-CD2 3.8Å; I200-L230 HydrophobicContact CD1-CB 4.49Å; I200-L230 WeakPolarHBondContact CD1-O 3.43Å; I200-Y249 PolarHBondContact N-O 3Å; I200-Y249 PolarHBondContact O-N 3.07Å
201	C	93.4	Very high	74.1	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.6	176	-72.9	0	0	0	0	110.3	V188 M189 C191 L246	V188-C201 WeakPolarHBondContact CA-O 3.37Å; M189-C201 PolarHBondContact N-O 2.87Å; M189-C201 WeakPolarHBondContact O-CB 3.37Å; C191-C201 WeakPolarHBondContact CA-SG 3.25Å; C191-C201 HydrophobicContact CB-CB 4.02Å; C191-C201 WeakPolarHBondContact CB-SG 3.32Å; C191-C201 WeakPolarHBondContact SG-CB 3.47Å; C191-C201 CovalentContact SG-SG 2.02Å; C191-C201 PolarHBondContact SG-SG 3.34Å; C201-L246 HydrophobicContact CB-CD1 3.93Å; C201-L246 HydrophobicContact CB-CD2 3.55Å; C201-L246 HydrophobicContact CB-CG 4.18Å; C201-L246 VanDerWaalsContact SG-CD2 3.57Å
202	V	90.6	Very high	71.9	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.2	-173.6	178.9	0	0	0	0	109.7	V159 A186 V188 I200 L221 V247 Y249	V159-V202 HydrophobicContact CG2-CG1 4.34Å; A186-V202 HydrophobicContact CB-CG1 3.39Å; V188-V202 HydrophobicContact CG2-CG2 4.34Å; I200-V202 HydrophobicContact CG2-CG2 3.98Å; V202-L221 HydrophobicContact CG1-CD1 4.46Å; V202-L221 HydrophobicContact CG2-CD1 4.03Å; V202-L221 HydrophobicContact CG2-CD2 3.71Å; V202-V247 HydrophobicContact CB-CB 4.49Å; V202-V247 PolarHBondContact N-O 2.8Å; V202-V247 PolarHBondContact O-N 2.98Å; V202-Y249 HydrophobicContact CB-CD2 4.04Å; V202-Y249 HydrophobicContact CB-CE2 3.74Å; V202-Y249 HydrophobicContact CG1-CE2 4.25Å; V202-Y249 HydrophobicContact CG2-CD2 3.56Å; V202-Y249 HydrophobicContact CG2-CE2 3.64Å
203	Q	83.4	Confident	70.4	Confident	27 Å²	27	43.4 Å²	43.4	13%	0.126	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132	169.8	-171.8	173.3	-14.1	0	0	107.4	T187 M189 D244	T187-Q203 PolarHBondContact N-O 3.09Å; T187-Q203 PolarHBondContact O-N 3.02Å; M189-Q203 HydrophobicContact CG-CB 3.67Å; Q203-D244 HydrophobicContact CG-CB 4.39Å; Q203-D244 PolarHBondContact NE2-OD2 3.02Å
204	A	68.5	Low	69	Low	11 Å²	11	44.2 Å²	44.2	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	151.3	171.4	0	0	0	0	0	110.6	Y206 F208 Q210	A204-Y206 PolarHBondContact O-N 2.99Å; A204-F208 WeakPolarHBondContact CB-O 3.19Å; A204-Q210 HydrophobicContact CB-CB 3.61Å; A204-Q210 HydrophobicContact CB-CG 4.44Å; A204-Q210 WeakPolarHBondContact CB-O 3.27Å
205	A	57	Low	68	Low	36 Å²	36	38.8 Å²	38.8	30%	0.298	22%	0.217	S	C	.	.			trans	-55.5	140.1	-176	0	0	0	0	0	111.1	V207 F208	A205-V207 PolarHBondContact O-N 3.01Å; A205-F208 CarbonylContact O-C 3.53Å; A205-F208 PolarHBondContact O-N 3.38Å
206	Y	45.4	Very low	67.9	Low	204 Å²	204	36.8 Å²	36.8	80%	0.8	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-6.9	-171.7	-151.1	-106.5	0	0	0	115.4	A204	A204-Y206 PolarHBondContact O-N 2.99Å
207	V	38.5	Very low	67.9	Low	102 Å²	102	36.5 Å²	36.5	62%	0.618	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-17.2	176.7	-170.8	0	0	0	0	112.1	K29 A205	K29-V207 PolarHBondContact NZ-O 2.93Å; A205-V207 PolarHBondContact O-N 3.01Å
208	F	38.6	Very low	68.1	Low	92 Å²	92	35.5 Å²	35.5	40%	0.404	19%	0.193	S	C	.	.	S	Bend	trans	-139.9	91.3	-173.6	-58.9	-84.8	0	0	0	111.2	K29 A204 A205 Q210	K29-F208 HydrophobicContact CB-CD1 3.95Å; K29-F208 HydrophobicContact CD-CD1 3.76Å; K29-F208 HydrophobicContact CD-CE1 4.44Å; A204-F208 WeakPolarHBondContact CB-O 3.19Å; A205-F208 CarbonylContact O-C 3.53Å; A205-F208 PolarHBondContact O-N 3.38Å; F208-Q210 HydrophobicContact CB-CG 4.48Å; F208-Q210 PolarHBondContact O-N 3.43Å
209	G	35.1	Very low	68.1	Low	28 Å²	28	31.1 Å²	31.1	29%	0.289	17%	0.17	S	C	.	.			trans	-70.3	63	-176.1	0	0	0	0	0	115.9	R28	R28-G209 WeakPolarHBondContact CB-O 3.43Å; R28-G209 WeakPolarHBondContact CD-O 3.34Å
210	Q	41.6	Very low	68.2	Low	9 Å²	9	31 Å²	31	4%	0.042	17%	0.169	C	C	.	.			trans	-78.3	111.8	175.2	-58	165.8	4.2	0	0	108.8	R28 I161 A204 F208	R28-Q210 WeakPolarHBondContact O-CG 3.46Å; I161-Q210 HydrophobicContact CD1-CB 4.41Å; I161-Q210 VanDerWaalsContact CD1-OE1 3.31Å; A204-Q210 HydrophobicContact CB-CB 3.61Å; A204-Q210 HydrophobicContact CB-CG 4.44Å; A204-Q210 WeakPolarHBondContact CB-O 3.27Å; F208-Q210 HydrophobicContact CB-CG 4.48Å; F208-Q210 PolarHBondContact O-N 3.43Å
211	I	47.7	Very low	68.2	Low	30 Å²	30	30.7 Å²	30.7	15%	0.154	17%	0.168	C	C	.	.			trans	-102.5	-113.8	-168.1	-73.4	170.5	0	0	0	112.2	W25 L26 V245 V247	W25-I211 CarbonylContact O-C 3.5Å; W25-I211 WeakPolarHBondContact O-CA 3.38Å; W25-I211 WeakPolarHBondContact O-CB 3.19Å; W25-I211 PolarHBondContact O-N 2.72Å; L26-I211 VanDerWaalsContact CA-C 3.46Å; L26-I211 WeakPolarHBondContact CB-O 3.47Å; L26-I211 WeakPolarHBondContact CD1-O 3.48Å; L26-I211 WeakPolarHBondContact CG-O 3.27Å; I211-V245 HydrophobicContact CB-CB 4.24Å; I211-V245 HydrophobicContact CD1-CB 4.13Å; I211-V245 HydrophobicContact CD1-CG2 4.14Å; I211-V245 HydrophobicContact CG1-CB 3.94Å; I211-V245 HydrophobicContact CG1-CG2 4.48Å; I211-V245 HydrophobicContact CG2-CB 3.47Å; I211-V245 VanDerWaalsContact CG2-CB 3.47Å; I211-V245 HydrophobicContact CG2-CG1 3.59Å; I211-V245 HydrophobicContact CG2-CG2 3.86Å; I211-V247 WeakPolarHBondContact O-CG2 3.37Å
212	T	45.4	Very low	68.4	Low	11 Å²	11	30.6 Å²	30.6	7%	0.067	17%	0.167	C	C	.	.			trans	-149.1	114	173.7	-38.3	0	0	0	0	113.1	T24 W25 L26 V233 G236 V247	T24-T212 CarbonylContact C-O 3.36Å; T24-T212 WeakPolarHBondContact CA-O 3.29Å; T24-T212 WeakPolarHBondContact CB-O 3.39Å; W25-T212 VanDerWaalsContact N-C 3.31Å; W25-T212 PolarHBondContact N-O 2.97Å; W25-T212 PolarHBondContact O-N 2.9Å; L26-T212 HydrophobicContact CD1-CG2 4.16Å; L26-T212 VanDerWaalsContact N-CA 3.28Å; T212-V233 HydrophobicContact CG2-CG1 3.95Å; T212-G236 WeakPolarHBondContact OG1-CA 3.21Å; T212-G236 PolarHBondContact OG1-N 3.11Å; T212-V247 HydrophobicContact CG2-CG1 3.97Å; T212-V247 WeakPolarHBondContact OG1-CG2 3.47Å
213	A	56.4	Low	68.6	Low	4 Å²	4	37.2 Å²	37.2	3%	0.033	19%	0.192	C	C	.	.			trans	-111.6	154.3	-170.2	0	0	0	0	0	113.7	R166 G215 D216	R166-A213 HydrophobicContact CB-CB 3.94Å; R166-A213 WeakPolarHBondContact O-CB 3.34Å; A213-G215 PolarHBondContact O-N 3.04Å; A213-D216 VanDerWaalsContact CB-OD2 3.24Å; A213-D216 WeakPolarHBondContact CB-OD2 3.49Å; A213-D216 PolarHBondContact N-OD2 2.74Å; A213-D216 PolarHBondContact O-N 3.36Å; A213-D216 VanDerWaalsContact O-N 3.13Å
214	P	57.4	Low	69.1	Low	63 Å²	63	38.1 Å²	38.1	41%	0.409	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	123.5	160.3	-20.2	33.7	0	0	0	109.2	T24 R166	T24-P214 WeakPolarHBondContact O-CD 3.48Å; T24-P214 WeakPolarHBondContact OG1-CD 3.38Å; R166-P214 PolarHBondContact N-O 2.75Å
215	G	67.8	Low	70.3	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.01	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.4	-35.7	-173.8	0	0	0	0	0	114.2	M51 C52 T53 A213	M51-G215 WeakPolarHBondContact O-CA 3.1Å; C52-G215 CarbonylContact C-O 3.43Å; C52-G215 VanDerWaalsContact C-O 3.31Å; T53-G215 PolarHBondContact N-O 2.72Å; T53-G215 PolarHBondContact OG1-O 2.72Å; A213-G215 PolarHBondContact O-N 3.04Å
216	D	88.8	Confident	72	Confident	1 Å²	1	43 Å²	43	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-24.2	178.3	-54.9	-64.3	0	0	0	113.2	L26 V27 G163 G165 A213 G218 G219 V233	L26-D216 HydrophobicContact CB-CB 4.14Å; L26-D216 WeakPolarHBondContact CB-OD2 3.39Å; L26-D216 HydrophobicContact CD1-CB 4.35Å; V27-D216 WeakPolarHBondContact CG2-OD1 3.43Å; G163-D216 WeakPolarHBondContact CA-OD1 3.49Å; G165-D216 WeakPolarHBondContact CA-OD1 3.38Å; G165-D216 WeakPolarHBondContact CA-OD2 3.43Å; G165-D216 PolarHBondContact N-OD1 3.05Å; A213-D216 VanDerWaalsContact CB-OD2 3.24Å; A213-D216 WeakPolarHBondContact CB-OD2 3.49Å; A213-D216 PolarHBondContact N-OD2 2.74Å; A213-D216 PolarHBondContact O-N 3.36Å; A213-D216 VanDerWaalsContact O-N 3.13Å; D216-G218 PolarHBondContact O-N 2.93Å; D216-G219 WeakPolarHBondContact O-CA 3.11Å; D216-G219 PolarHBondContact O-N 2.7Å; D216-V233 HydrophobicContact CB-CG1 4.43Å; D216-V233 WeakPolarHBondContact O-CB 3.01Å; D216-V233 WeakPolarHBondContact O-CG2 3.01Å
217	S	92.8	Very high	74.3	Confident	20 Å²	20	33.6 Å²	33.6	14%	0.14	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-34.6	124.2	168.9	-73.8	0	0	0	0	112.1	C52 T53 H67 G219	C52-S217 CarbonylContact C-O 3.59Å; C52-S217 WeakPolarHBondContact CA-O 3.48Å; C52-S217 WeakPolarHBondContact CB-O 3.48Å; C52-S217 VanDerWaalsContact SG-CB 3.52Å; T53-S217 PolarHBondContact N-O 2.84Å; H67-S217 WeakPolarHBondContact NE2-CB 3.17Å; H67-S217 PolarHBondContact NE2-OG 3.44Å; S217-G219 VanDerWaalsContact C-N 3.3Å; S217-G219 PolarHBondContact O-N 3.42Å
218	G	95.7	Very high	77.2	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-6.6	-175.9	0	0	0	0	0	116.5	T53 T64 A65 D216 V233	T53-G218 CarbonylContact O-C 3.49Å; T53-G218 VanDerWaalsContact O-CA 3.29Å; T53-G218 WeakPolarHBondContact O-CA 3.16Å; T64-G218 WeakPolarHBondContact OG1-CA 3.37Å; A65-G218 VanDerWaalsContact N-CA 3.29Å; D216-G218 PolarHBondContact O-N 2.93Å; G218-V233 PolarHBondContact N-O 3.29Å
219	G	95.7	Very high	80	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-68.4	154.9	178.3	0	0	0	0	0	113.3	D216 S217 V232 V233	D216-G219 WeakPolarHBondContact O-CA 3.11Å; D216-G219 PolarHBondContact O-N 2.7Å; S217-G219 VanDerWaalsContact C-N 3.3Å; S217-G219 PolarHBondContact O-N 3.42Å; G219-V232 CarbonylContact O-C 3.54Å; G219-V232 WeakPolarHBondContact O-CA 3.35Å; G219-V233 WeakPolarHBondContact O-CG2 3.23Å; G219-V233 PolarHBondContact O-N 3.2Å
220	P	97.1	Very high	83	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	138.9	-175.2	33.7	-35.6	0	0	0	112.4	Y41 I42 V162 L222 V229 G231	Y41-P220 HydrophobicContact CE2-CG 4.49Å; I42-P220 VanDerWaalsContact CD1-CD 3.45Å; I42-P220 HydrophobicContact CD1-CG 3.65Å; V162-P220 HydrophobicContact CG1-CG 3.69Å; P220-L222 HydrophobicContact CB-CD2 3.85Å; P220-L222 HydrophobicContact CB-CG 3.95Å; P220-L222 HydrophobicContact CG-CD1 4.14Å; P220-L222 HydrophobicContact CG-CD2 4.2Å; P220-L222 HydrophobicContact CG-CG 4.09Å; P220-V229 HydrophobicContact CB-CB 4.44Å; P220-V229 HydrophobicContact CB-CG1 3.65Å; P220-V229 HydrophobicContact CB-CG2 4.06Å; P220-G231 WeakPolarHBondContact CA-O 3.26Å
221	L	96.1	Very high	85.7	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.5	154	-166.1	66	0	0	0	108	V159 I161 I200 V202 V229 L230 G231 Y249	V159-L221 HydrophobicContact CB-CD1 3.84Å; V159-L221 HydrophobicContact CB-CG 4.12Å; V159-L221 HydrophobicContact CG1-CD2 4.46Å; V159-L221 HydrophobicContact CG1-CG 4.29Å; V159-L221 HydrophobicContact CG2-CD1 3.66Å; V159-L221 HydrophobicContact CG2-CG 4.3Å; I161-L221 HydrophobicContact CG2-CD1 3.57Å; I200-L221 HydrophobicContact CB-CD2 4.49Å; I200-L221 HydrophobicContact CD1-CD2 4.48Å; I200-L221 HydrophobicContact CG2-CD2 3.8Å; V202-L221 HydrophobicContact CG1-CD1 4.46Å; V202-L221 HydrophobicContact CG2-CD1 4.03Å; V202-L221 HydrophobicContact CG2-CD2 3.71Å; L221-V229 CarbonylContact O-C 3.51Å; L221-L230 HydrophobicContact CD2-CB 4.48Å; L221-L230 PolarHBondContact O-N 2.83Å; L221-G231 PolarHBondContact N-O 3.42Å; L221-Y249 HydrophobicContact CB-CD1 3.58Å; L221-Y249 HydrophobicContact CB-CE1 3.66Å; L221-Y249 HydrophobicContact CB-CG 4.21Å; L221-Y249 HydrophobicContact CD1-CD1 4.45Å; L221-Y249 HydrophobicContact CD1-CE1 3.99Å; L221-Y249 HydrophobicContact CD1-CE2 4.17Å; L221-Y249 HydrophobicContact CD2-CD1 4.44Å; L221-Y249 HydrophobicContact CD2-CD2 4.4Å; L221-Y249 HydrophobicContact CD2-CG 4.25Å; L221-Y249 HydrophobicContact CG-CD1 4.39Å; L221-Y249 HydrophobicContact CG-CE1 4.35Å
222	L	96.5	Very high	88	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.5	-169.1	-64.5	164.1	0	0	0	111.2	F39 Y41 I144 F160 V162 P220 S224 V229	F39-L222 HydrophobicContact CD1-CD1 4.33Å; F39-L222 HydrophobicContact CE1-CD1 4.08Å; Y41-L222 HydrophobicContact CE2-CD1 4.3Å; Y41-L222 HydrophobicContact CE2-CD2 4.18Å; Y41-L222 WeakPolarHBondContact OH-CD1 3.45Å; I144-L222 HydrophobicContact CG1-CD2 4.34Å; F160-L222 HydrophobicContact CB-CB 4.04Å; F160-L222 PolarHBondContact N-O 2.81Å; F160-L222 PolarHBondContact O-N 3.29Å; V162-L222 HydrophobicContact CG1-CD1 3.64Å; P220-L222 HydrophobicContact CB-CD2 3.85Å; P220-L222 HydrophobicContact CB-CG 3.95Å; P220-L222 HydrophobicContact CG-CD1 4.14Å; P220-L222 HydrophobicContact CG-CD2 4.2Å; P220-L222 HydrophobicContact CG-CG 4.09Å; L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 WeakPolarHBondContact CB-O 3.39Å; L222-V229 HydrophobicContact CD2-CG2 4.13Å
223	R	95.2	Very high	90.4	Very high	141 Å²	141	22.1 Å²	22.1	53%	0.532	12%	0.118	S	C	.	.	S	Bend	trans	-70.2	-31.2	173.1	-166	168.2	-177.4	150.4	5.2	112.7	D151 P228 L230	D151-R223 IonicContact OD1-NH1 3.75Å; D151-R223 PolarHBondContact OD1-NH1 2.94Å; R223-P228 HydrophobicContact CB-CG 4.36Å; R223-P228 PolarHBondContact N-O 3.4Å; R223-L230 HydrophobicContact CB-CD1 3.98Å; R223-L230 HydrophobicContact CB-CD2 4.19Å; R223-L230 HydrophobicContact CB-CG 4.2Å
224	S	94.7	Very high	92.2	Very high	47 Å²	47	22.1 Å²	22.1	33%	0.329	12%	0.118	S	C	.	.	S	Bend	trans	-156.1	167	172.9	65.2	0	0	0	0	108.4	L222 Q226 G227	L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 WeakPolarHBondContact CB-O 3.39Å; S224-Q226 PolarHBondContact O-N 3.33Å; S224-G227 PolarHBondContact O-N 2.89Å; S224-G227 WeakPolarHBondContact OG-CA 3.34Å; S224-G227 PolarHBondContact OG-N 2.02Å; S224-G227 VanDerWaalsContact OG-N 3.11Å
225	P	93.1	Very high	93.5	Very high	27 Å²	27	21.7 Å²	21.7	18%	0.175	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-14.5	-176.6	-27	37.1	0	0	0	115.7	F39 Y41 F160	F39-P225 HydrophobicContact CE1-CB 4.11Å; F39-P225 HydrophobicContact CZ-CB 4.21Å; Y41-P225 WeakPolarHBondContact CE1-O 3.48Å; Y41-P225 PolarHBondContact OH-O 2.76Å; F160-P225 HydrophobicContact CD1-CG 3.71Å; F160-P225 HydrophobicContact CD2-CG 4.44Å; F160-P225 HydrophobicContact CE1-CG 3.63Å; F160-P225 HydrophobicContact CE2-CG 4.39Å; F160-P225 HydrophobicContact CG-CG 4.11Å; F160-P225 HydrophobicContact CZ-CG 3.99Å
226	Q	93.4	Very high	94.2	Very high	122 Å²	122	23 Å²	23	57%	0.57	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.6	17.7	171.9	-61.2	77.5	27.2	0	0	112.4	E38 S224	E38-Q226 PolarHBondContact O-NE2 3.24Å; S224-Q226 PolarHBondContact O-N 3.33Å
227	G	93.8	Very high	93.6	Very high	7 Å²	7	24 Å²	24	7%	0.072	13%	0.13	C	C	.	.	S	Bend	trans	-90.6	176.9	-179.7	0	0	0	0	0	113.6	I144 S224	I144-G227 WeakPolarHBondContact CD1-O 3.43Å; I144-G227 WeakPolarHBondContact CG1-O 3.46Å; S224-G227 PolarHBondContact O-N 2.89Å; S224-G227 WeakPolarHBondContact OG-CA 3.34Å; S224-G227 PolarHBondContact OG-N 2.02Å; S224-G227 VanDerWaalsContact OG-N 3.11Å
228	P	97.5	Very high	92.8	Very high	23 Å²	23	28.3 Å²	28.3	15%	0.149	16%	0.155	C	C	.	.			trans	-64.3	151.5	-175.4	26.1	-35.3	0	0	0	113.3	S145 P147 R223 L230	S145-P228 VanDerWaalsContact O-CA 3.27Å; S145-P228 WeakPolarHBondContact O-CA 3.08Å; S145-P228 WeakPolarHBondContact OG-CA 3.12Å; P147-P228 HydrophobicContact CB-CB 4.27Å; R223-P228 HydrophobicContact CB-CG 4.36Å; R223-P228 PolarHBondContact N-O 3.4Å; P228-L230 HydrophobicContact CG-CD2 4.43Å; P228-L230 PolarHBondContact O-N 2.86Å; P228-L230 VanDerWaalsContact O-N 3.14Å
229	V	98.3	Very high	91.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	94.8	176.4	-174.3	0	0	0	0	109.8	L63 I144 S145 P147 P220 L221 L222 G231 V252	L63-V229 HydrophobicContact CD2-CG1 4.2Å; I144-V229 HydrophobicContact CB-CG2 4.33Å; I144-V229 HydrophobicContact CG1-CG2 3.95Å; I144-V229 HydrophobicContact CG2-CG2 3.39Å; S145-V229 PolarHBondContact O-N 2.85Å; S145-V229 VanDerWaalsContact O-N 3.13Å; P147-V229 WeakPolarHBondContact CD-O 3.49Å; P147-V229 VanDerWaalsContact CG-O 3.32Å; P147-V229 WeakPolarHBondContact CG-O 3.08Å; P220-V229 HydrophobicContact CB-CB 4.44Å; P220-V229 HydrophobicContact CB-CG1 3.65Å; P220-V229 HydrophobicContact CB-CG2 4.06Å; L221-V229 CarbonylContact O-C 3.51Å; L222-V229 HydrophobicContact CD2-CG2 4.13Å; V229-G231 VanDerWaalsContact C-N 3.31Å; V229-G231 WeakPolarHBondContact CG1-O 3.42Å; V229-G231 PolarHBondContact O-N 3.04Å; V229-V252 HydrophobicContact CG1-CG2 4.05Å; V229-V252 VanDerWaalsContact O-CB 3.25Å; V229-V252 WeakPolarHBondContact O-CB 3.04Å; V229-V252 WeakPolarHBondContact O-CG2 3.33Å
230	L	98.3	Very high	90.5	Very high	3 Å²	3	36 Å²	36	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-33.8	-179.2	-56	-179.2	0	0	0	112.5	P147 D151 P153 V159 I200 L221 R223 P228 V252	P147-L230 HydrophobicContact CB-CD2 4.48Å; D151-L230 HydrophobicContact CB-CD2 4.32Å; P153-L230 HydrophobicContact CB-CD1 4.24Å; P153-L230 HydrophobicContact CG-CD1 4.11Å; V159-L230 HydrophobicContact CG1-CD1 3.91Å; I200-L230 HydrophobicContact CD1-CB 4.49Å; I200-L230 WeakPolarHBondContact CD1-O 3.43Å; L221-L230 HydrophobicContact CD2-CB 4.48Å; L221-L230 PolarHBondContact O-N 2.83Å; R223-L230 HydrophobicContact CB-CD1 3.98Å; R223-L230 HydrophobicContact CB-CD2 4.19Å; R223-L230 HydrophobicContact CB-CG 4.2Å; P228-L230 HydrophobicContact CG-CD2 4.43Å; P228-L230 PolarHBondContact O-N 2.86Å; P228-L230 VanDerWaalsContact O-N 3.14Å; L230-V252 PolarHBondContact O-N 2.89Å; L230-V252 VanDerWaalsContact O-N 3.12Å
231	G	97.8	Very high	89.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	167.7	-174.3	0	0	0	0	0	113.5	P220 L221 V229 A250	P220-G231 WeakPolarHBondContact CA-O 3.26Å; L221-G231 PolarHBondContact N-O 3.42Å; V229-G231 VanDerWaalsContact C-N 3.31Å; V229-G231 WeakPolarHBondContact CG1-O 3.42Å; V229-G231 PolarHBondContact O-N 3.04Å; G231-A250 CarbonylContact C-O 3.6Å; G231-A250 WeakPolarHBondContact CA-O 3.36Å
232	V	97.2	Very high	87.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.5	-179.6	173.7	0	0	0	0	109.1	L63 T64 A65 I126 G219 S234 Y249 A250 V252	L63-V232 HydrophobicContact CD2-CG2 3.86Å; L63-V232 HydrophobicContact CG-CG2 3.85Å; T64-V232 VanDerWaalsContact C-CG1 3.49Å; A65-V232 HydrophobicContact CB-CG1 4.04Å; I126-V232 HydrophobicContact CD1-CG2 4.37Å; I126-V232 HydrophobicContact CG1-CB 4.48Å; G219-V232 CarbonylContact O-C 3.54Å; G219-V232 WeakPolarHBondContact O-CA 3.35Å; V232-S234 PolarHBondContact O-N 3.16Å; V232-S234 VanDerWaalsContact O-N 3.13Å; V232-Y249 VanDerWaalsContact C-CD1 3.46Å; V232-Y249 CarbonylContact O-C 3.57Å; V232-Y249 WeakPolarHBondContact O-CA 3.49Å; V232-A250 PolarHBondContact N-O 3.46Å; V232-A250 PolarHBondContact O-N 2.96Å; V232-V252 HydrophobicContact CG2-CG2 3.83Å
233	V	94.8	Very high	85.8	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.024	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	117.1	-178.3	176.3	0	0	0	0	110.3	T212 D216 G218 G219 V247 Y249	T212-V233 HydrophobicContact CG2-CG1 3.95Å; D216-V233 HydrophobicContact CB-CG1 4.43Å; D216-V233 WeakPolarHBondContact O-CB 3.01Å; D216-V233 WeakPolarHBondContact O-CG2 3.01Å; G218-V233 PolarHBondContact N-O 3.29Å; G219-V233 WeakPolarHBondContact O-CG2 3.23Å; G219-V233 PolarHBondContact O-N 3.2Å; V233-V247 HydrophobicContact CG1-CG1 4.5Å; V233-Y249 HydrophobicContact CB-CD1 4.4Å; V233-Y249 HydrophobicContact CB-CE1 4.1Å; V233-Y249 HydrophobicContact CG2-CD1 3.98Å; V233-Y249 HydrophobicContact CG2-CE1 3.23Å
234	S	93.4	Very high	84.3	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.028	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-71.7	173.4	178	0	0	0	0	111.1	H67 S122 D125 V232 E248	H67-S234 PolarHBondContact CE1-O 2.79Å; S122-S234 VanDerWaalsContact CB-OG 3.22Å; S122-S234 WeakPolarHBondContact CB-OG 3.47Å; S122-S234 PolarHBondContact OG-OG 2.88Å; D125-S234 WeakPolarHBondContact CB-OG 3.4Å; D125-S234 WeakPolarHBondContact OD2-CB 3.29Å; D125-S234 PolarHBondContact OD2-OG 2.91Å; V232-S234 PolarHBondContact O-N 3.16Å; V232-S234 VanDerWaalsContact O-N 3.13Å; S234-E248 WeakPolarHBondContact CA-O 3.49Å; S234-E248 WeakPolarHBondContact CB-O 3.34Å; S234-E248 PolarHBondContact N-O 3.05Å
235	H	86	Confident	83.1	Confident	53 Å²	53	47.7 Å²	47.7	25%	0.245	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	167.5	-177.9	74.6	-61.8	0	0	0	113	S122 V237 E248	S122-H235 PolarHBondContact OG-CE1 2.91Å; S122-H235 PolarHBondContact OG-ND1 3.43Å; H235-V237 WeakPolarHBondContact NE2-CG2 3.34Å; H235-E248 IonicContact CE1-OE2 3.7Å; H235-E248 PolarHBondContact CE1-OE2 2.76Å; H235-E248 VanDerWaalsContact CE1-OE2 3.27Å; H235-E248 PolarHBondContact N-O 3.29Å; H235-E248 IonicContact ND1-OE2 2.99Å; H235-E248 PolarHBondContact O-N 3.1Å
236	G	81.6	Confident	82.7	Confident	30 Å²	30	46.4 Å²	46.4	31%	0.309	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.2	171.5	0	0	0	0	0	112.3	T212 L246	T212-G236 WeakPolarHBondContact OG1-CA 3.21Å; T212-G236 PolarHBondContact OG1-N 3.11Å; G236-L246 CarbonylContact C-O 3.5Å; G236-L246 WeakPolarHBondContact CA-O 3.37Å
237	V	77.2	Confident	82.4	Confident	20 Å²	20	40.8 Å²	40.8	12%	0.121	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	113.8	-179.6	-178.5	0	0	0	0	109.5	H235 L239 V245 L246 E248	H235-V237 WeakPolarHBondContact NE2-CG2 3.34Å; V237-L239 HydrophobicContact CG1-CD2 3.67Å; V237-L239 HydrophobicContact CG1-CG 4.11Å; V237-V245 WeakPolarHBondContact O-CG1 3.33Å; V237-L246 PolarHBondContact N-O 2.93Å; V237-L246 PolarHBondContact O-N 2.88Å; V237-E248 HydrophobicContact CG2-CG 3.86Å
238	T	75.3	Confident	82.3	Confident	111 Å²	111	40.5 Å²	40.5	68%	0.681	24%	0.236	S	C	*	.			trans	-88.4	121.7	171.7	-50	0	0	0	0	109.4	V245	T238-V245 HydrophobicContact CG2-CG2 4.45Å
239	L	74.1	Confident	82.2	Confident	21 Å²	21	39.5 Å²	39.5	11%	0.11	23%	0.229	C	C	.	.			trans	-109.1	131.7	178.3	-60.4	177.9	0	0	0	110	H193 V237 N241 R242	H193-L239 HydrophobicContact CB-CD2 3.84Å; V237-L239 HydrophobicContact CG1-CD2 3.67Å; V237-L239 HydrophobicContact CG1-CG 4.11Å; L239-N241 WeakPolarHBondContact CB-OD1 3.1Å; L239-N241 PolarHBondContact O-N 2.94Å; L239-R242 HydrophobicContact CB-CB 4.48Å; L239-R242 HydrophobicContact CB-CG 4.49Å; L239-R242 PolarHBondContact O-N 3.3Å; L239-R242 VanDerWaalsContact O-O 3.04Å
240	S	69.9	Low	82.2	Confident	141 Å²	141	39.5 Å²	39.5	99%	0.986	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-15.3	-176.6	-50.2	0	0	0	0	115
241	N	67.9	Low	82.2	Confident	131 Å²	131	39.4 Å²	39.4	70%	0.701	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.8	8.1	179.1	66.2	-8.2	0	0	0	113.9	L239	L239-N241 WeakPolarHBondContact CB-OD1 3.1Å; L239-N241 PolarHBondContact O-N 2.94Å
242	R	63.1	Low	82.2	Confident	53 Å²	53	39.4 Å²	39.4	20%	0.2	23%	0.228	C	C	.	.			trans	-128.7	135.3	172.6	-61.4	-165.9	-168.4	-177.3	12	109.9	E190 L239 D244	E190-R242 PolarHBondContact O-NH2 2.96Å; L239-R242 HydrophobicContact CB-CB 4.48Å; L239-R242 HydrophobicContact CB-CG 4.49Å; L239-R242 PolarHBondContact O-N 3.3Å; L239-R242 VanDerWaalsContact O-O 3.04Å; R242-D244 WeakPolarHBondContact CB-O 3.45Å
243	L	58.5	Low	82.3	Confident	177 Å²	177	39.7 Å²	39.7	93%	0.927	23%	0.231	S	C	*	.	S	Bend	trans	-71.5	-22.6	171.1	-63.6	175.3	0	0	0	111.9
244	D	64.4	Low	82.4	Confident	47 Å²	47	43.4 Å²	43.4	25%	0.251	24%	0.244	S	C	.	.	S	Bend	trans	-96.8	140	177.7	-64	-29	0	0	0	111.8	Q203 R242	Q203-D244 HydrophobicContact CG-CB 4.39Å; Q203-D244 PolarHBondContact NE2-OD2 3.02Å; R242-D244 WeakPolarHBondContact CB-O 3.45Å
245	V	70.1	Confident	82.6	Confident	26 Å²	26	43.9 Å²	43.9	16%	0.158	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-77.7	134.9	169.3	177.5	0	0	0	0	109.1	I211 V237 T238	I211-V245 HydrophobicContact CB-CB 4.24Å; I211-V245 HydrophobicContact CD1-CB 4.13Å; I211-V245 HydrophobicContact CD1-CG2 4.14Å; I211-V245 HydrophobicContact CG1-CB 3.94Å; I211-V245 HydrophobicContact CG1-CG2 4.48Å; I211-V245 HydrophobicContact CG2-CB 3.47Å; I211-V245 VanDerWaalsContact CG2-CB 3.47Å; I211-V245 HydrophobicContact CG2-CG1 3.59Å; I211-V245 HydrophobicContact CG2-CG2 3.86Å; V237-V245 WeakPolarHBondContact O-CG1 3.33Å; T238-V245 HydrophobicContact CG2-CG2 4.45Å
246	L	83.5	Confident	83.1	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	149.9	175.2	-176.3	131.7	0	0	0	110.1	M189 C201 G236 V237 E248	M189-L246 HydrophobicContact CB-CD1 4.28Å; C201-L246 HydrophobicContact CB-CD1 3.93Å; C201-L246 HydrophobicContact CB-CD2 3.55Å; C201-L246 HydrophobicContact CB-CG 4.18Å; C201-L246 VanDerWaalsContact SG-CD2 3.57Å; G236-L246 CarbonylContact C-O 3.5Å; G236-L246 WeakPolarHBondContact CA-O 3.37Å; V237-L246 PolarHBondContact N-O 2.93Å; V237-L246 PolarHBondContact O-N 2.88Å; L246-E248 HydrophobicContact CD2-CG 4.28Å
247	V	88.1	Confident	83.9	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.024	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.2	177.4	-166.1	0	0	0	0	109.5	L26 V202 I211 T212 V233 Y249	L26-V247 HydrophobicContact CD1-CG1 4.09Å; L26-V247 HydrophobicContact CD1-CG2 4.19Å; V202-V247 HydrophobicContact CB-CB 4.49Å; V202-V247 PolarHBondContact N-O 2.8Å; V202-V247 PolarHBondContact O-N 2.98Å; I211-V247 WeakPolarHBondContact O-CG2 3.37Å; T212-V247 HydrophobicContact CG2-CG1 3.97Å; T212-V247 WeakPolarHBondContact OG1-CG2 3.47Å; V233-V247 HydrophobicContact CG1-CG1 4.5Å; V247-Y249 HydrophobicContact CB-CD2 4.33Å; V247-Y249 HydrophobicContact CB-CE2 3.76Å; V247-Y249 HydrophobicContact CG1-CD2 3.98Å; V247-Y249 HydrophobicContact CG1-CE2 3.43Å; V247-Y249 VanDerWaalsContact CG1-CE2 3.43Å
248	E	92.2	Very high	84.8	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.4	169.6	-75.1	-171.6	-168.5	0	0	111.3	S122 H193 T195 P199 S234 H235 V237 L246	S122-E248 WeakPolarHBondContact CB-OE2 3.34Å; H193-E248 IonicContact CD2-OE1 3.27Å; H193-E248 IonicContact CE1-OE1 2.68Å; H193-E248 IonicContact NE2-OE1 2.98Å; H193-E248 PolarHBondContact NE2-OE1 3.1Å; T195-E248 WeakPolarHBondContact CG2-OE1 3.44Å; P199-E248 HydrophobicContact CB-CB 4.2Å; P199-E248 HydrophobicContact CB-CG 4.3Å; P199-E248 HydrophobicContact CG-CG 4.11Å; P199-E248 WeakPolarHBondContact CG-OE2 3.49Å; S234-E248 WeakPolarHBondContact CA-O 3.49Å; S234-E248 WeakPolarHBondContact CB-O 3.34Å; S234-E248 PolarHBondContact N-O 3.05Å; H235-E248 IonicContact CE1-OE2 3.7Å; H235-E248 PolarHBondContact CE1-OE2 2.76Å; H235-E248 VanDerWaalsContact CE1-OE2 3.27Å; H235-E248 PolarHBondContact N-O 3.29Å; H235-E248 IonicContact ND1-OE2 2.99Å; H235-E248 PolarHBondContact O-N 3.1Å; V237-E248 HydrophobicContact CG2-CG 3.86Å; L246-E248 HydrophobicContact CD2-CG 4.28Å
249	Y	95.5	Very high	85.9	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133	172.8	-69.7	-106.5	0	0	0	110	I161 P199 I200 V202 L221 V232 V233 V247 S251	I161-Y249 VanDerWaalsContact CG2-OH 3.23Å; I161-Y249 WeakPolarHBondContact CG2-OH 3.48Å; P199-Y249 CarbonylContact C-O 3.54Å; P199-Y249 WeakPolarHBondContact CA-O 3.37Å; P199-Y249 WeakPolarHBondContact CB-O 3.33Å; I200-Y249 PolarHBondContact N-O 3Å; I200-Y249 PolarHBondContact O-N 3.07Å; V202-Y249 HydrophobicContact CB-CD2 4.04Å; V202-Y249 HydrophobicContact CB-CE2 3.74Å; V202-Y249 HydrophobicContact CG1-CE2 4.25Å; V202-Y249 HydrophobicContact CG2-CD2 3.56Å; V202-Y249 HydrophobicContact CG2-CE2 3.64Å; L221-Y249 HydrophobicContact CB-CD1 3.58Å; L221-Y249 HydrophobicContact CB-CE1 3.66Å; L221-Y249 HydrophobicContact CB-CG 4.21Å; L221-Y249 HydrophobicContact CD1-CD1 4.45Å; L221-Y249 HydrophobicContact CD1-CE1 3.99Å; L221-Y249 HydrophobicContact CD1-CE2 4.17Å; L221-Y249 HydrophobicContact CD2-CD1 4.44Å; L221-Y249 HydrophobicContact CD2-CD2 4.4Å; L221-Y249 HydrophobicContact CD2-CG 4.25Å; L221-Y249 HydrophobicContact CG-CD1 4.39Å; L221-Y249 HydrophobicContact CG-CE1 4.35Å; V232-Y249 VanDerWaalsContact C-CD1 3.46Å; V232-Y249 CarbonylContact O-C 3.57Å; V232-Y249 WeakPolarHBondContact O-CA 3.49Å; V233-Y249 HydrophobicContact CB-CD1 4.4Å; V233-Y249 HydrophobicContact CB-CE1 4.1Å; V233-Y249 HydrophobicContact CG2-CD1 3.98Å; V233-Y249 HydrophobicContact CG2-CE1 3.23Å; V247-Y249 HydrophobicContact CB-CD2 4.33Å; V247-Y249 HydrophobicContact CB-CE2 3.76Å; V247-Y249 HydrophobicContact CG1-CD2 3.98Å; V247-Y249 HydrophobicContact CG1-CE2 3.43Å; V247-Y249 VanDerWaalsContact CG1-CE2 3.43Å; Y249-S251 PolarHBondContact O-N 2.81Å
250	A	97.4	Very high	87	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	128.4	168.3	0	0	0	0	0	108.9	S122 D125 I126 G231 V232 V252	S122-A250 VanDerWaalsContact O-CA 3.22Å; S122-A250 WeakPolarHBondContact O-CA 3.44Å; S122-A250 WeakPolarHBondContact O-CB 3.35Å; S122-A250 PolarHBondContact O-N 3.35Å; D125-A250 HydrophobicContact CB-CB 4.26Å; I126-A250 HydrophobicContact CD1-CB 3.8Å; I126-A250 HydrophobicContact CG1-CB 3.38Å; G231-A250 CarbonylContact C-O 3.6Å; G231-A250 WeakPolarHBondContact CA-O 3.36Å; V232-A250 PolarHBondContact N-O 3.46Å; V232-A250 PolarHBondContact O-N 2.96Å; A250-V252 PolarHBondContact O-N 2.97Å
251	S	98	Very high	88.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115.4	-172.4	179.8	0	0	0	0	111.1	Y249 A253 R254 M255	Y249-S251 PolarHBondContact O-N 2.81Å; S251-A253 VanDerWaalsContact C-N 3.31Å; S251-A253 PolarHBondContact O-N 2.99Å; S251-R254 PolarHBondContact O-N 2.79Å; S251-R254 PolarHBondContact OG-NH1 2.9Å; S251-M255 WeakPolarHBondContact O-CG 3.43Å; S251-M255 PolarHBondContact O-N 2.87Å; S251-M255 VanDerWaalsContact O-N 3.09Å
252	V	98.4	Very high	89.7	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-38	-179.6	179.8	0	0	0	0	111.1	L63 I126 L146 P147 V229 L230 V232 A250 R254 M255 L256 V259	L63-V252 HydrophobicContact CD2-CG1 4.2Å; L63-V252 HydrophobicContact CD2-CG2 3.76Å; I126-V252 HydrophobicContact CD1-CG2 4.29Å; L146-V252 HydrophobicContact CD2-CG1 4.06Å; P147-V252 HydrophobicContact CG-CB 3.81Å; P147-V252 HydrophobicContact CG-CG1 3.7Å; V229-V252 HydrophobicContact CG1-CG2 4.05Å; V229-V252 VanDerWaalsContact O-CB 3.25Å; V229-V252 WeakPolarHBondContact O-CB 3.04Å; V229-V252 WeakPolarHBondContact O-CG2 3.33Å; L230-V252 PolarHBondContact O-N 2.89Å; L230-V252 VanDerWaalsContact O-N 3.12Å; V232-V252 HydrophobicContact CG2-CG2 3.83Å; A250-V252 PolarHBondContact O-N 2.97Å; V252-R254 VanDerWaalsContact C-N 3.32Å; V252-R254 PolarHBondContact O-N 2.71Å; V252-M255 CarbonylContact O-C 3.53Å; V252-M255 PolarHBondContact O-N 3.27Å; V252-M255 VanDerWaalsContact O-N 3.15Å; V252-L256 WeakPolarHBondContact O-CA 3.05Å; V252-L256 PolarHBondContact O-N 2.92Å; V252-V259 HydrophobicContact CG1-CG2 4.38Å
253	A	98	Very high	91.2	Very high	7 Å²	7	36 Å²	36	6%	0.058	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-37.7	175.6	0	0	0	0	0	113.1	P147 Q148 I152 S251 L256	P147-A253 HydrophobicContact CB-CB 4.37Å; P147-A253 HydrophobicContact CG-CB 4.18Å; Q148-A253 WeakPolarHBondContact O-CB 3.27Å; I152-A253 HydrophobicContact CG1-CB 3.88Å; S251-A253 VanDerWaalsContact C-N 3.31Å; S251-A253 PolarHBondContact O-N 2.99Å; A253-L256 WeakPolarHBondContact O-CB 3.5Å
254	R	97.5	Very high	92.8	Very high	82 Å²	82	29 Å²	29	31%	0.309	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-30.3	175.7	-67.8	174.9	-178.4	68.8	-11.1	112.6	I152 N198 S251 V252	I152-R254 HydrophobicContact CD1-CG 4.32Å; I152-R254 VanDerWaalsContact CG2-NH1 3.32Å; N198-R254 PolarHBondContact ND2-NE 2.95Å; N198-R254 PolarHBondContact ND2-NH2 2.85Å; N198-R254 VanDerWaalsContact ND2-NH2 3.2Å; N198-R254 WeakPolarHBondContact O-CD 3.48Å; N198-R254 PolarHBondContact O-NE 3.03Å; N198-R254 VanDerWaalsContact O-NE 3.16Å; N198-R254 PolarHBondContact OD1-NH2 3.06Å; S251-R254 PolarHBondContact O-N 2.79Å; S251-R254 PolarHBondContact OG-NH1 2.9Å; V252-R254 VanDerWaalsContact C-N 3.32Å; V252-R254 PolarHBondContact O-N 2.71Å
255	M	97.6	Very high	94.3	Very high	14 Å²	14	28 Å²	28	7%	0.069	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	13.2	-179.9	-61.2	-55.9	-71.5	0	0	113.1	A101 F124 I126 S251 V252 G257 F258 V259	A101-M255 HydrophobicContact CB-CE 3.55Å; F124-M255 HydrophobicContact CD1-CE 4.12Å; F124-M255 HydrophobicContact CD1-SD 3.72Å; F124-M255 HydrophobicContact CE1-SD 4.38Å; I126-M255 HydrophobicContact CD1-CB 3.72Å; I126-M255 HydrophobicContact CD1-CG 3.76Å; I126-M255 HydrophobicContact CG1-CG 4.43Å; S251-M255 WeakPolarHBondContact O-CG 3.43Å; S251-M255 PolarHBondContact O-N 2.87Å; S251-M255 VanDerWaalsContact O-N 3.09Å; V252-M255 CarbonylContact O-C 3.53Å; V252-M255 PolarHBondContact O-N 3.27Å; V252-M255 VanDerWaalsContact O-N 3.15Å; M255-G257 PolarHBondContact O-N 2.78Å; M255-G257 VanDerWaalsContact O-N 3.17Å; M255-F258 HydrophobicContact CE-CB 4.36Å; M255-F258 WeakPolarHBondContact O-CB 3.23Å; M255-F258 PolarHBondContact O-N 3.19Å; M255-V259 PolarHBondContact O-N 2.75Å
256	L	97.1	Very high	95.7	Very high	37 Å²	37	28.1 Å²	28.1	19%	0.194	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-33.2	-169.3	-173.2	63.3	0	0	0	112.6	L146 V252 A253 V259 S260	L146-L256 HydrophobicContact CB-CD1 4.19Å; L146-L256 HydrophobicContact CD1-CD1 4.08Å; V252-L256 WeakPolarHBondContact O-CA 3.05Å; V252-L256 PolarHBondContact O-N 2.92Å; A253-L256 WeakPolarHBondContact O-CB 3.5Å; L256-V259 PolarHBondContact O-N 3.31Å; L256-S260 VanDerWaalsContact O-CB 3.25Å; L256-S260 WeakPolarHBondContact O-CB 3.39Å; L256-S260 PolarHBondContact O-N 2.79Å; L256-S260 PolarHBondContact O-OG 3.03Å
257	G	97.4	Very high	96.4	Very high	55 Å²	55	29.7 Å²	29.7	57%	0.567	18%	0.181	S	C	*	.	H	α-helix	trans	-61.1	-47.1	172.9	0	0	0	0	0	112.7	M255 S261	M255-G257 PolarHBondContact O-N 2.78Å; M255-G257 VanDerWaalsContact O-N 3.17Å; G257-S261 WeakPolarHBondContact O-CB 3.13Å; G257-S261 PolarHBondContact O-N 3.39Å; G257-S261 PolarHBondContact O-OG 3.45Å
258	F	98	Very high	96.9	Very high	28 Å²	28	31.3 Å²	31.3	12%	0.123	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-48.2	175.2	168.1	-96.2	0	0	0	111.4	K99 V100 A101 I126 M255 S261 N262	K99-F258 HydrophobicContact CB-CE2 4.45Å; K99-F258 HydrophobicContact CB-CZ 4.1Å; V100-F258 VanDerWaalsContact C-CE2 3.44Å; V100-F258 WeakPolarHBondContact O-CE2 3.29Å; A101-F258 HydrophobicContact CB-CD1 4.39Å; A101-F258 HydrophobicContact CB-CG 4.41Å; I126-F258 HydrophobicContact CG2-CD1 4.14Å; I126-F258 HydrophobicContact CG2-CE1 3.99Å; M255-F258 HydrophobicContact CE-CB 4.36Å; M255-F258 WeakPolarHBondContact O-CB 3.23Å; M255-F258 PolarHBondContact O-N 3.19Å; F258-S261 PolarHBondContact O-N 2.8Å; F258-N262 HydrophobicContact CZ-CB 4.45Å; F258-N262 PolarHBondContact O-N 2.79Å; F258-N262 PolarHBondContact O-ND2 2.68Å
259	V	98	Very high	97.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-53.1	-176.6	178.4	0	0	0	0	110.4	L63 I126 L146 V252 M255 L256 S261 N262 I263	L63-V259 HydrophobicContact CD1-CG1 4.18Å; L63-V259 HydrophobicContact CD1-CG2 3.94Å; I126-V259 HydrophobicContact CG2-CG2 4.1Å; L146-V259 HydrophobicContact CD1-CG1 3.78Å; L146-V259 HydrophobicContact CD2-CG1 3.81Å; L146-V259 HydrophobicContact CG-CG1 4.49Å; V252-V259 HydrophobicContact CG1-CG2 4.38Å; M255-V259 PolarHBondContact O-N 2.75Å; L256-V259 PolarHBondContact O-N 3.31Å; V259-S261 PolarHBondContact O-N 3.46Å; V259-N262 CarbonylContact O-C 3.33Å; V259-N262 PolarHBondContact O-N 2.72Å; V259-I263 HydrophobicContact CG1-CG2 4.19Å; V259-I263 WeakPolarHBondContact O-CG2 3.36Å
260	S	97	Very high	97.4	Very high	67 Å²	67	35.6 Å²	35.6	47%	0.469	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-25.2	-178	-62.6	0	0	0	0	113.9	L256	L256-S260 VanDerWaalsContact O-CB 3.25Å; L256-S260 WeakPolarHBondContact O-CB 3.39Å; L256-S260 PolarHBondContact O-N 2.79Å; L256-S260 PolarHBondContact O-OG 3.03Å
261	S	97.4	Very high	97.3	Very high	99 Å²	99	38.3 Å²	38.3	69%	0.692	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.6	173.9	-63.3	0	0	0	0	114.7	G257 F258 V259	G257-S261 WeakPolarHBondContact O-CB 3.13Å; G257-S261 PolarHBondContact O-N 3.39Å; G257-S261 PolarHBondContact O-OG 3.45Å; F258-S261 PolarHBondContact O-N 2.8Å; V259-S261 PolarHBondContact O-N 3.46Å
262	N	96.9	Very high	97.3	Very high	36 Å²	36	41.5 Å²	41.5	19%	0.193	25%	0.254	C	S	.	.			trans	-136	32.9	-172.9	-67.7	-87.8	0	0	0	113.4	K99 T128 F258 V259	K99-N262 HydrophobicContact CB-CB 4.04Å; K99-N262 WeakPolarHBondContact CB-OD1 2.76Å; K99-N262 WeakPolarHBondContact CD-OD1 3.28Å; K99-N262 HydrophobicContact CG-CB 4.12Å; K99-N262 VanDerWaalsContact CG-OD1 3.24Å; K99-N262 WeakPolarHBondContact CG-OD1 3.48Å; T128-N262 WeakPolarHBondContact CB-O 3.1Å; T128-N262 HydrophobicContact CG2-CB 4.46Å; T128-N262 WeakPolarHBondContact CG2-O 3.48Å; T128-N262 PolarHBondContact OG1-O 3.37Å; F258-N262 HydrophobicContact CZ-CB 4.45Å; F258-N262 PolarHBondContact O-N 2.79Å; F258-N262 PolarHBondContact O-ND2 2.68Å; V259-N262 CarbonylContact O-C 3.33Å; V259-N262 PolarHBondContact O-N 2.72Å
263	I	94.4	Very high	97.2	Very high	73 Å²	73	45.3 Å²	45.3	37%	0.374	28%	0.277	S	S	.	.			trans	-126.8	0	177.7	60	166.7	0	0	0	114.2	V57 S58 A61 T128 L146 V259	V57-I263 HydrophobicContact CG2-CG2 3.6Å; S58-I263 VanDerWaalsContact CB-OXT 3.29Å; S58-I263 WeakPolarHBondContact CB-OXT 3.21Å; S58-I263 PolarHBondContact OG-OXT 3.35Å; A61-I263 HydrophobicContact CB-CB 3.75Å; A61-I263 HydrophobicContact CB-CG2 3.72Å; T128-I263 HydrophobicContact CG2-CG2 4.03Å; L146-I263 HydrophobicContact CD1-CD1 3.99Å; V259-I263 HydrophobicContact CG1-CG2 4.19Å; V259-I263 WeakPolarHBondContact O-CG2 3.36Å

Retrieved 263 of 263 residues in 76.9 ms (Link to these results)

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