A0A3Q0KSY9_SCHMA Loading...

Putative wd-repeat protein

AlphaFold DB , UniProt , Accession A0A3Q0KSY9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 608 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	32.3	Very low	30.3	Very low	229 Å²	229	140.7 Å²	140.7	100%	1.128	74%	0.737	S	S	*	*				0	86	0	-88.4	-178.6	-99.9	0	0	108.8	L3	M1-L3 PolarHBondContact O-N 3.03Å
2	Q	25.9	Very low	30.4	Very low	202 Å²	202	140.5 Å²	140.5	94%	0.944	74%	0.736	S	S	*	*			trans	-77.6	97.9	162.4	-85.6	173.8	-29.1	0	0	105.9	D4	Q2-D4 PolarHBondContact O-N 3.34Å
3	L	30.6	Very low	31	Very low	144 Å²	144	139.2 Å²	139.2	75%	0.754	73%	0.73	S	S	*	*			trans	-74.4	112.7	172.8	-85.8	153.6	0	0	0	107.9	M1 Y5	M1-L3 PolarHBondContact O-N 3.03Å; L3-Y5 PolarHBondContact O-N 2.67Å
4	D	28.5	Very low	31.4	Very low	142 Å²	142	137.6 Å²	137.6	76%	0.759	73%	0.729	S	S	*	*			trans	-53.6	102	173.6	-100.2	-39.5	0	0	0	110.9	Q2 K6 G7	Q2-D4 PolarHBondContact O-N 3.34Å; D4-K6 PolarHBondContact O-N 3.03Å; D4-G7 PolarHBondContact O-N 3.22Å
5	Y	32.7	Very low	31.8	Very low	198 Å²	198	142.5 Å²	142.5	78%	0.776	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-66.3	-2.1	177.6	-103.7	-90	0	0	0	114.1	L3 G7	L3-Y5 PolarHBondContact O-N 2.67Å; Y5-G7 VanDerWaalsContact C-N 3.34Å
6	K	29.8	Very low	32.4	Very low	187 Å²	187	145.6 Å²	145.6	81%	0.813	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-76.3	-18.6	177	-84.9	-178.7	169.6	178.1	0	113.9	D4	D4-K6 PolarHBondContact O-N 3.03Å
7	G	30.5	Very low	33.3	Very low	49 Å²	49	143 Å²	143	51%	0.505	72%	0.721	S	S	.	*	G	3₁₀ helix	trans	-82.2	-15.5	176.6	0	0	0	0	0	115.2	D4 Y5	D4-G7 PolarHBondContact O-N 3.22Å; Y5-G7 VanDerWaalsContact C-N 3.34Å
8	C	29.8	Very low	34.3	Very low	76 Å²	76	140.2 Å²	140.2	51%	0.514	71%	0.709	S	S	.	*	S	Bend	trans	-86.9	-14.8	-174.2	-80.4	0	0	0	0	114.6
9	C	29.7	Very low	35.5	Very low	95 Å²	95	136.1 Å²	136.1	64%	0.642	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-34.6	177.7	-65.7	0	0	0	0	112.1	V11	C9-V11 VanDerWaalsContact C-N 3.35Å; C9-V11 PolarHBondContact O-N 2.79Å
10	D	31.4	Very low	36.6	Very low	138 Å²	138	134.8 Å²	134.8	74%	0.738	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-12.7	-178.9	-69	-17.2	0	0	0	113.5
11	V	31.7	Very low	37.7	Very low	88 Å²	88	132.3 Å²	132.3	53%	0.533	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	-12	178	-176.4	0	0	0	0	112.4	C9	C9-V11 VanDerWaalsContact C-N 3.35Å; C9-V11 PolarHBondContact O-N 2.79Å
12	L	31.9	Very low	38.9	Very low	138 Å²	138	124 Å²	124	72%	0.723	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-14.4	177.9	-79.9	164.7	0	0	0	114
13	D	38.4	Very low	40.6	Very low	123 Å²	123	117 Å²	117	66%	0.658	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-15.5	-178.6	-111.7	-15.2	0	0	0	115.1
14	T	36.1	Very low	41.8	Very low	117 Å²	117	114 Å²	114	72%	0.718	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-8	-179.7	54.7	0	0	0	0	114.7
15	R	37.3	Very low	43.2	Very low	211 Å²	211	110.8 Å²	110.8	80%	0.796	57%	0.567	S	S	*	*			trans	-103.7	32.2	165.8	-70.8	-167.9	-174	178.5	3.5	113	L17	R15-L17 PolarHBondContact O-N 2.75Å
16	R	41.6	Very low	44.2	Very low	193 Å²	193	102.6 Å²	102.6	73%	0.728	54%	0.537	S	S	*	.	S	Bend	trans	-51.9	95.9	135.5	-79.2	-176.4	-179.5	-179.6	2.8	104	N18	R16-N18 PolarHBondContact O-N 2.79Å
17	L	48.6	Very low	45.7	Very low	101 Å²	101	98.6 Å²	98.6	53%	0.529	53%	0.532	S	S	.	.			trans	-34.8	115	166.5	-98.3	109.2	0	0	0	103.1	R15 I19	R15-L17 PolarHBondContact O-N 2.75Å; L17-I19 WeakPolarHBondContact O-CG1 3.42Å; L17-I19 PolarHBondContact O-N 3.28Å
18	N	51	Low	46.9	Very low	93 Å²	93	103 Å²	103	50%	0.497	54%	0.544	S	S	.	.			trans	-64	88.4	176.6	-105.8	-26.2	0	0	0	103.2	R16 I20 N21 E22	R16-N18 PolarHBondContact O-N 2.79Å; N18-I20 CarbonylContact O-C 3.54Å; N18-I20 PolarHBondContact O-N 2.7Å; N18-I20 VanDerWaalsContact O-N 3.16Å; N18-N21 HydrophobicContact CB-CB 3.49Å; N18-N21 VanDerWaalsContact CB-CB 3.49Å; N18-N21 VanDerWaalsContact CB-CG 3.47Å; N18-N21 PolarHBondContact ND2-ND2 3.45Å; N18-N21 CarbonylContact O-C 3.59Å; N18-N21 WeakPolarHBondContact O-CA 3.33Å; N18-N21 WeakPolarHBondContact O-CB 3.12Å; N18-N21 PolarHBondContact O-N 2.98Å; N18-E22 PolarHBondContact O-N 3.05Å
19	I	56.6	Low	48.5	Very low	61 Å²	61	105.9 Å²	105.9	31%	0.313	55%	0.547	S	S	.	.	H	α-helix	trans	-53.3	-38.2	179	-73.8	171.4	0	0	0	105.9	L17 E22 V23 F37 Y40	L17-I19 WeakPolarHBondContact O-CG1 3.42Å; L17-I19 PolarHBondContact O-N 3.28Å; I19-E22 PolarHBondContact O-N 3.41Å; I19-V23 HydrophobicContact CG2-CG2 4.33Å; I19-V23 VanDerWaalsContact O-CB 3.24Å; I19-V23 WeakPolarHBondContact O-CB 3.2Å; I19-V23 WeakPolarHBondContact O-CG2 3.44Å; I19-V23 PolarHBondContact O-N 3.18Å; I19-F37 HydrophobicContact CB-CE2 4.08Å; I19-F37 HydrophobicContact CG1-CE2 3.99Å; I19-F37 HydrophobicContact CG2-CE2 3.72Å; I19-F37 HydrophobicContact CG2-CZ 3.93Å; I19-Y40 HydrophobicContact CD1-CD1 4.44Å; I19-Y40 HydrophobicContact CD1-CE1 3.85Å
20	I	57.6	Low	49.9	Very low	111 Å²	111	104.8 Å²	104.8	57%	0.569	55%	0.552	S	S	*	*	H	α-helix	trans	-57.9	-47.1	170.1	-60.2	167.7	0	0	0	112.3	N18 N24	N18-I20 CarbonylContact O-C 3.54Å; N18-I20 PolarHBondContact O-N 2.7Å; N18-I20 VanDerWaalsContact O-N 3.16Å; I20-N24 WeakPolarHBondContact CG2-ND2 3.47Å; I20-N24 WeakPolarHBondContact O-CB 3.15Å; I20-N24 PolarHBondContact O-N 3.31Å; I20-N24 PolarHBondContact O-ND2 3.32Å
21	N	59.3	Low	51.5	Low	82 Å²	82	104.7 Å²	104.7	44%	0.439	55%	0.545	S	S	.	.	H	α-helix	trans	-69.5	-38	177.5	-71.4	-5	0	0	0	112.9	N18 N25	N18-N21 HydrophobicContact CB-CB 3.49Å; N18-N21 VanDerWaalsContact CB-CB 3.49Å; N18-N21 VanDerWaalsContact CB-CG 3.47Å; N18-N21 PolarHBondContact ND2-ND2 3.45Å; N18-N21 CarbonylContact O-C 3.59Å; N18-N21 WeakPolarHBondContact O-CA 3.33Å; N18-N21 WeakPolarHBondContact O-CB 3.12Å; N18-N21 PolarHBondContact O-N 2.98Å; N21-N25 WeakPolarHBondContact O-CB 3.48Å; N21-N25 VanDerWaalsContact O-CG 3.23Å; N21-N25 PolarHBondContact O-N 2.89Å; N21-N25 PolarHBondContact O-ND2 2.84Å
22	E	58.4	Low	53.1	Low	56 Å²	56	105 Å²	105	26%	0.262	55%	0.552	S	S	.	*	H	α-helix	trans	-65.3	-48.5	173.2	-87	-144.7	153.3	0	0	110.6	N18 I19 N24 N25 I26 S34 F37	N18-E22 PolarHBondContact O-N 3.05Å; I19-E22 PolarHBondContact O-N 3.41Å; E22-N24 VanDerWaalsContact C-N 3.33Å; E22-N24 PolarHBondContact O-N 2.92Å; E22-N25 PolarHBondContact O-N 2.83Å; E22-I26 VanDerWaalsContact O-CB 3.26Å; E22-I26 WeakPolarHBondContact O-CB 3.34Å; E22-I26 WeakPolarHBondContact O-CD1 3.08Å; E22-I26 WeakPolarHBondContact O-CG1 3.47Å; E22-I26 PolarHBondContact O-N 2.58Å; E22-S34 PolarHBondContact OE2-OG 2.86Å; E22-F37 HydrophobicContact CB-CE2 4.39Å; E22-F37 WeakPolarHBondContact OE2-CD2 3.44Å
23	V	60.7	Low	54.8	Low	54 Å²	54	102.2 Å²	102.2	33%	0.327	53%	0.533	S	S	.	.	H	α-helix	trans	-58.4	-44.5	176.3	172.2	0	0	0	0	111	I19 I26 S27 F33 F37	I19-V23 HydrophobicContact CG2-CG2 4.33Å; I19-V23 VanDerWaalsContact O-CB 3.24Å; I19-V23 WeakPolarHBondContact O-CB 3.2Å; I19-V23 WeakPolarHBondContact O-CG2 3.44Å; I19-V23 PolarHBondContact O-N 3.18Å; V23-I26 PolarHBondContact O-N 2.82Å; V23-S27 WeakPolarHBondContact O-CB 3.22Å; V23-S27 PolarHBondContact O-N 3.25Å; V23-F33 HydrophobicContact CG2-CE1 4.36Å; V23-F37 HydrophobicContact CG2-CE1 4.28Å; V23-F37 HydrophobicContact CG2-CE2 4.45Å; V23-F37 HydrophobicContact CG2-CZ 3.56Å
24	N	55.6	Low	56.5	Low	80 Å²	80	98.4 Å²	98.4	43%	0.428	52%	0.516	S	S	.	.	H	α-helix	trans	-66.8	-44.7	177.3	-73.8	-15.2	0	0	0	111.6	I20 E22 I26 S27 L28	I20-N24 WeakPolarHBondContact CG2-ND2 3.47Å; I20-N24 WeakPolarHBondContact O-CB 3.15Å; I20-N24 PolarHBondContact O-N 3.31Å; I20-N24 PolarHBondContact O-ND2 3.32Å; E22-N24 VanDerWaalsContact C-N 3.33Å; E22-N24 PolarHBondContact O-N 2.92Å; N24-I26 PolarHBondContact O-N 3.45Å; N24-S27 PolarHBondContact O-N 3.4Å; N24-L28 VanDerWaalsContact O-CB 3.22Å; N24-L28 WeakPolarHBondContact O-CB 3.24Å; N24-L28 WeakPolarHBondContact O-CD1 3.35Å; N24-L28 WeakPolarHBondContact O-CG 3.48Å; N24-L28 PolarHBondContact O-N 2.78Å
25	N	58	Low	58.2	Low	76 Å²	76	98 Å²	98	41%	0.406	51%	0.51	S	S	.	.	H	α-helix	trans	-61.2	-33.7	175.8	-84.3	-46.2	0	0	0	111.8	N21 E22 K29	N21-N25 WeakPolarHBondContact O-CB 3.48Å; N21-N25 VanDerWaalsContact O-CG 3.23Å; N21-N25 PolarHBondContact O-N 2.89Å; N21-N25 PolarHBondContact O-ND2 2.84Å; E22-N25 PolarHBondContact O-N 2.83Å; N25-K29 WeakPolarHBondContact O-CA 3.32Å; N25-K29 WeakPolarHBondContact O-CB 3.12Å; N25-K29 WeakPolarHBondContact O-CG 3.13Å; N25-K29 PolarHBondContact O-N 3.34Å
26	I	54.2	Low	59.9	Low	26 Å²	26	91.3 Å²	91.3	13%	0.133	50%	0.5	C	S	.	.	H	α-helix	trans	-78	-45.2	-179.2	-73.5	167.3	0	0	0	111.1	E22 V23 N24 L28 K29 G30 K31 F33	E22-I26 VanDerWaalsContact O-CB 3.26Å; E22-I26 WeakPolarHBondContact O-CB 3.34Å; E22-I26 WeakPolarHBondContact O-CD1 3.08Å; E22-I26 WeakPolarHBondContact O-CG1 3.47Å; E22-I26 PolarHBondContact O-N 2.58Å; V23-I26 PolarHBondContact O-N 2.82Å; N24-I26 PolarHBondContact O-N 3.45Å; I26-L28 PolarHBondContact O-N 2.73Å; I26-K29 PolarHBondContact O-N 3.16Å; I26-G30 WeakPolarHBondContact O-CA 3.26Å; I26-G30 PolarHBondContact O-N 3.05Å; I26-K31 HydrophobicContact CG1-CB 4.41Å; I26-K31 WeakPolarHBondContact CG2-O 3.2Å; I26-F33 HydrophobicContact CB-CE1 4.3Å; I26-F33 HydrophobicContact CD1-CB 4.33Å; I26-F33 HydrophobicContact CD1-CD1 3.11Å; I26-F33 HydrophobicContact CD1-CE1 3.42Å; I26-F33 VanDerWaalsContact CD1-CE1 3.42Å; I26-F33 HydrophobicContact CD1-CG 3.83Å; I26-F33 HydrophobicContact CD1-CZ 4.34Å; I26-F33 HydrophobicContact CG1-CD1 4.42Å; I26-F33 HydrophobicContact CG1-CE1 4.45Å; I26-F33 HydrophobicContact CG2-CD1 4.45Å; I26-F33 HydrophobicContact CG2-CE1 3.96Å; I26-F33 HydrophobicContact CG2-CE2 4.2Å; I26-F33 HydrophobicContact CG2-CZ 3.82Å
27	S	60.4	Low	61.5	Low	102 Å²	102	82.5 Å²	82.5	71%	0.713	47%	0.467	S	S	*	.	H	α-helix	trans	-61	-34.2	173.5	-178	0	0	0	0	111.9	V23 N24	V23-S27 WeakPolarHBondContact O-CB 3.22Å; V23-S27 PolarHBondContact O-N 3.25Å; N24-S27 PolarHBondContact O-N 3.4Å
28	L	56.6	Low	62.7	Low	143 Å²	143	81.6 Å²	81.6	75%	0.749	46%	0.459	S	S	*	.	H	α-helix	trans	-87.5	-29.4	-179.4	-68.7	167.8	0	0	0	113.9	N24 I26	N24-L28 VanDerWaalsContact O-CB 3.22Å; N24-L28 WeakPolarHBondContact O-CB 3.24Å; N24-L28 WeakPolarHBondContact O-CD1 3.35Å; N24-L28 WeakPolarHBondContact O-CG 3.48Å; N24-L28 PolarHBondContact O-N 2.78Å; I26-L28 PolarHBondContact O-N 2.73Å
29	K	62.9	Low	63.9	Low	135 Å²	135	78 Å²	78	59%	0.587	44%	0.441	S	S	*	.	H	α-helix	trans	-114.6	1.2	-172.6	-56.8	-178.4	177.4	175.7	0	114.9	N25 I26 K31	N25-K29 WeakPolarHBondContact O-CA 3.32Å; N25-K29 WeakPolarHBondContact O-CB 3.12Å; N25-K29 WeakPolarHBondContact O-CG 3.13Å; N25-K29 PolarHBondContact O-N 3.34Å; I26-K29 PolarHBondContact O-N 3.16Å; K29-K31 HydrophobicContact CB-CG 4.14Å; K29-K31 PolarHBondContact O-N 2.83Å
30	G	59	Low	65	Low	73 Å²	73	80.2 Å²	80.2	75%	0.753	45%	0.446	S	S	*	.			trans	61.1	24.6	179.8	0	0	0	0	0	114.3	I26	I26-G30 WeakPolarHBondContact O-CA 3.26Å; I26-G30 PolarHBondContact O-N 3.05Å
31	K	65.4	Low	65.9	Low	136 Å²	136	79.3 Å²	79.3	59%	0.591	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-82.8	147.8	-179.3	-69.8	-170.6	175.5	-168.2	0	111.4	I26 K29	I26-K31 HydrophobicContact CG1-CB 4.41Å; I26-K31 WeakPolarHBondContact CG2-O 3.2Å; K29-K31 HydrophobicContact CB-CG 4.14Å; K29-K31 PolarHBondContact O-N 2.83Å
32	S	66.5	Low	66.9	Low	95 Å²	95	78.4 Å²	78.4	66%	0.664	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-67.6	142.5	171.9	-175.2	0	0	0	0	111
33	F	66.3	Low	67.9	Low	78 Å²	78	76.1 Å²	76.1	34%	0.342	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-59.4	141.5	172.4	-67.7	-76.2	0	0	0	111	V23 I26 F37 K38	V23-F33 HydrophobicContact CG2-CE1 4.36Å; I26-F33 HydrophobicContact CB-CE1 4.3Å; I26-F33 HydrophobicContact CD1-CB 4.33Å; I26-F33 HydrophobicContact CD1-CD1 3.11Å; I26-F33 HydrophobicContact CD1-CE1 3.42Å; I26-F33 VanDerWaalsContact CD1-CE1 3.42Å; I26-F33 HydrophobicContact CD1-CG 3.83Å; I26-F33 HydrophobicContact CD1-CZ 4.34Å; I26-F33 HydrophobicContact CG1-CD1 4.42Å; I26-F33 HydrophobicContact CG1-CE1 4.45Å; I26-F33 HydrophobicContact CG2-CD1 4.45Å; I26-F33 HydrophobicContact CG2-CE1 3.96Å; I26-F33 HydrophobicContact CG2-CE2 4.2Å; I26-F33 HydrophobicContact CG2-CZ 3.82Å; F33-F37 HydrophobicContact CB-CD1 3.99Å; F33-F37 AromaticContact CD1-CD1 3.17Å; F33-F37 HydrophobicContact CD1-CD1 3.17Å; F33-F37 AromaticContact CD1-CE1 3.12Å; F33-F37 HydrophobicContact CD1-CE1 3.12Å; F33-F37 HydrophobicContact CD1-CG 4.18Å; F33-F37 HydrophobicContact CD1-CZ 4.17Å; F33-F37 AromaticContact CE1-CD1 3.86Å; F33-F37 HydrophobicContact CE1-CD1 3.86Å; F33-F37 AromaticContact CE1-CE1 3.27Å; F33-F37 HydrophobicContact CE1-CE1 3.27Å; F33-F37 HydrophobicContact CE1-CZ 4.09Å; F33-F37 AromaticContact CG-CD1 3.81Å; F33-F37 HydrophobicContact CG-CD1 3.81Å; F33-F37 HydrophobicContact CG-CE1 4.08Å; F33-F37 HydrophobicContact CZ-CE1 4.29Å; F33-K38 HydrophobicContact CB-CG 3.92Å; F33-K38 WeakPolarHBondContact O-CE 3.36Å
34	S	74.2	Confident	68.9	Low	43 Å²	43	78.7 Å²	78.7	30%	0.301	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-61.4	150.9	172.1	69.3	0	0	0	0	110.7	E22 A36 F37 K38	E22-S34 PolarHBondContact OE2-OG 2.86Å; S34-A36 VanDerWaalsContact C-N 3.27Å; S34-A36 PolarHBondContact O-N 2.96Å; S34-F37 WeakPolarHBondContact O-CB 3.36Å; S34-F37 PolarHBondContact O-N 2.92Å; S34-F37 VanDerWaalsContact O-N 3.1Å; S34-F37 VanDerWaalsContact OG-CB 3.26Å; S34-F37 WeakPolarHBondContact OG-CB 3.26Å; S34-F37 PolarHBondContact OG-N 3.18Å; S34-K38 PolarHBondContact O-N 2.95Å
35	N	72	Confident	70.4	Confident	109 Å²	109	76.6 Å²	76.6	58%	0.583	42%	0.422	S	S	*	.	H	α-helix	trans	-59.7	-40.8	179.1	-73.5	-12.5	0	0	0	111.3	F37 K38 S39	N35-F37 VanDerWaalsContact C-N 3.26Å; N35-F37 PolarHBondContact O-N 2.86Å; N35-K38 PolarHBondContact O-N 3.04Å; N35-K38 VanDerWaalsContact O-N 3.16Å; N35-S39 PolarHBondContact O-N 2.71Å; N35-S39 PolarHBondContact O-OG 2.89Å
36	A	73.5	Confident	71.9	Confident	71 Å²	71	73.6 Å²	73.6	59%	0.587	41%	0.405	S	S	*	.	H	α-helix	trans	-57.1	-39.9	175.7	0	0	0	0	0	112.5	S34 Y40	S34-A36 VanDerWaalsContact C-N 3.27Å; S34-A36 PolarHBondContact O-N 2.96Å; A36-Y40 WeakPolarHBondContact O-CB 3.43Å; A36-Y40 PolarHBondContact O-N 3.29Å
37	F	74.9	Confident	73.6	Confident	8 Å²	8	72.3 Å²	72.3	4%	0.035	40%	0.399	C	S	.	.	H	α-helix	trans	-70.1	-39.8	178.1	-168.7	-94.9	0	0	0	112.6	I19 E22 V23 F33 S34 N35 Y40 F41	I19-F37 HydrophobicContact CB-CE2 4.08Å; I19-F37 HydrophobicContact CG1-CE2 3.99Å; I19-F37 HydrophobicContact CG2-CE2 3.72Å; I19-F37 HydrophobicContact CG2-CZ 3.93Å; E22-F37 HydrophobicContact CB-CE2 4.39Å; E22-F37 WeakPolarHBondContact OE2-CD2 3.44Å; V23-F37 HydrophobicContact CG2-CE1 4.28Å; V23-F37 HydrophobicContact CG2-CE2 4.45Å; V23-F37 HydrophobicContact CG2-CZ 3.56Å; F33-F37 HydrophobicContact CB-CD1 3.99Å; F33-F37 AromaticContact CD1-CD1 3.17Å; F33-F37 HydrophobicContact CD1-CD1 3.17Å; F33-F37 AromaticContact CD1-CE1 3.12Å; F33-F37 HydrophobicContact CD1-CE1 3.12Å; F33-F37 HydrophobicContact CD1-CG 4.18Å; F33-F37 HydrophobicContact CD1-CZ 4.17Å; F33-F37 AromaticContact CE1-CD1 3.86Å; F33-F37 HydrophobicContact CE1-CD1 3.86Å; F33-F37 AromaticContact CE1-CE1 3.27Å; F33-F37 HydrophobicContact CE1-CE1 3.27Å; F33-F37 HydrophobicContact CE1-CZ 4.09Å; F33-F37 AromaticContact CG-CD1 3.81Å; F33-F37 HydrophobicContact CG-CD1 3.81Å; F33-F37 HydrophobicContact CG-CE1 4.08Å; F33-F37 HydrophobicContact CZ-CE1 4.29Å; S34-F37 WeakPolarHBondContact O-CB 3.36Å; S34-F37 PolarHBondContact O-N 2.92Å; S34-F37 VanDerWaalsContact O-N 3.1Å; S34-F37 VanDerWaalsContact OG-CB 3.26Å; S34-F37 WeakPolarHBondContact OG-CB 3.26Å; S34-F37 PolarHBondContact OG-N 3.18Å; N35-F37 VanDerWaalsContact C-N 3.26Å; N35-F37 PolarHBondContact O-N 2.86Å; F37-Y40 PolarHBondContact O-N 3.36Å; F37-F41 AromaticContact CD1-CD2 3.87Å; F37-F41 HydrophobicContact CD1-CD2 3.87Å; F37-F41 AromaticContact CD1-CE2 3.94Å; F37-F41 HydrophobicContact CD1-CE2 3.94Å; F37-F41 AromaticContact CE1-CD2 3.56Å; F37-F41 HydrophobicContact CE1-CD2 3.56Å; F37-F41 AromaticContact CE1-CE2 3.16Å; F37-F41 HydrophobicContact CE1-CE2 3.16Å; F37-F41 HydrophobicContact CE1-CZ 4.33Å; F37-F41 HydrophobicContact CE2-CE2 4.1Å; F37-F41 HydrophobicContact CZ-CD2 4.01Å; F37-F41 AromaticContact CZ-CE2 3.24Å; F37-F41 HydrophobicContact CZ-CE2 3.24Å; F37-F41 HydrophobicContact CZ-CZ 4.06Å; F37-F41 PolarHBondContact O-N 3.44Å; F37-F41 VanDerWaalsContact O-N 3.17Å
38	K	73.8	Confident	75	Confident	82 Å²	82	68 Å²	68	36%	0.357	37%	0.368	S	S	.	.	H	α-helix	trans	-62.2	-48.4	172.7	-67	177.6	-176.1	172.8	0	111.2	F33 S34 N35 Y40 F41 L42	F33-K38 HydrophobicContact CB-CG 3.92Å; F33-K38 WeakPolarHBondContact O-CE 3.36Å; S34-K38 PolarHBondContact O-N 2.95Å; N35-K38 PolarHBondContact O-N 3.04Å; N35-K38 VanDerWaalsContact O-N 3.16Å; K38-Y40 VanDerWaalsContact C-N 3.28Å; K38-Y40 PolarHBondContact O-N 2.87Å; K38-F41 PolarHBondContact O-N 3.49Å; K38-L42 WeakPolarHBondContact O-CB 3.33Å; K38-L42 WeakPolarHBondContact O-CG 3.39Å; K38-L42 PolarHBondContact O-N 2.71Å
39	S	76	Confident	76.5	Confident	17 Å²	17	63 Å²	63	12%	0.119	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-37.3	176.9	-47.8	0	0	0	0	111.5	N35 F41 L42 S43 F341 N342	N35-S39 PolarHBondContact O-N 2.71Å; N35-S39 PolarHBondContact O-OG 2.89Å; S39-F41 PolarHBondContact O-N 3.45Å; S39-L42 PolarHBondContact O-N 2.66Å; S39-S43 VanDerWaalsContact O-CB 3.23Å; S39-S43 WeakPolarHBondContact O-CB 3.35Å; S39-S43 PolarHBondContact O-N 3.37Å; S39-F341 PolarHBondContact OG-O 3Å; S39-N342 WeakPolarHBondContact CA-O 3.37Å
40	Y	79.5	Confident	77.7	Confident	107 Å²	107	57.8 Å²	57.8	42%	0.42	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-46.9	175.6	177.8	-98.6	0	0	0	112.1	I19 A36 F37 K38 S43	I19-Y40 HydrophobicContact CD1-CD1 4.44Å; I19-Y40 HydrophobicContact CD1-CE1 3.85Å; A36-Y40 WeakPolarHBondContact O-CB 3.43Å; A36-Y40 PolarHBondContact O-N 3.29Å; F37-Y40 PolarHBondContact O-N 3.36Å; K38-Y40 VanDerWaalsContact C-N 3.28Å; K38-Y40 PolarHBondContact O-N 2.87Å; Y40-S43 PolarHBondContact O-N 2.71Å; Y40-S43 PolarHBondContact O-OG 3.1Å
41	F	77.9	Confident	79	Confident	93 Å²	93	55.9 Å²	55.9	41%	0.408	29%	0.293	S	S	.	.	H	α-helix	trans	-69.5	-42.6	177.6	-84.3	-59.2	0	0	0	113	F37 K38 S39 S43 Q44	F37-F41 AromaticContact CD1-CD2 3.87Å; F37-F41 HydrophobicContact CD1-CD2 3.87Å; F37-F41 AromaticContact CD1-CE2 3.94Å; F37-F41 HydrophobicContact CD1-CE2 3.94Å; F37-F41 AromaticContact CE1-CD2 3.56Å; F37-F41 HydrophobicContact CE1-CD2 3.56Å; F37-F41 AromaticContact CE1-CE2 3.16Å; F37-F41 HydrophobicContact CE1-CE2 3.16Å; F37-F41 HydrophobicContact CE1-CZ 4.33Å; F37-F41 HydrophobicContact CE2-CE2 4.1Å; F37-F41 HydrophobicContact CZ-CD2 4.01Å; F37-F41 AromaticContact CZ-CE2 3.24Å; F37-F41 HydrophobicContact CZ-CE2 3.24Å; F37-F41 HydrophobicContact CZ-CZ 4.06Å; F37-F41 PolarHBondContact O-N 3.44Å; F37-F41 VanDerWaalsContact O-N 3.17Å; K38-F41 PolarHBondContact O-N 3.49Å; S39-F41 PolarHBondContact O-N 3.45Å; F41-S43 PolarHBondContact O-N 3.28Å; F41-Q44 WeakPolarHBondContact O-CB 3.23Å; F41-Q44 PolarHBondContact O-N 3.4Å; F41-Q44 VanDerWaalsContact O-N 3.08Å
42	L	78.5	Confident	80.1	Confident	63 Å²	63	49.5 Å²	49.5	33%	0.33	27%	0.265	S	S	.	.	H	α-helix	trans	-63.9	-30.9	176.3	-71.5	172.8	0	0	0	111.9	K38 S39 Q44 T45 N342 Q388	K38-L42 WeakPolarHBondContact O-CB 3.33Å; K38-L42 WeakPolarHBondContact O-CG 3.39Å; K38-L42 PolarHBondContact O-N 2.71Å; S39-L42 PolarHBondContact O-N 2.66Å; L42-Q44 PolarHBondContact O-N 3.33Å; L42-T45 PolarHBondContact O-N 2.97Å; L42-T45 PolarHBondContact O-OG1 3.01Å; L42-N342 HydrophobicContact CB-CB 4.36Å; L42-N342 VanDerWaalsContact CB-O 3.26Å; L42-N342 WeakPolarHBondContact CB-O 3.33Å; L42-N342 HydrophobicContact CD1-CB 4.14Å; L42-Q388 PolarHBondContact O-NE2 3.34Å
43	S	80.9	Confident	81.1	Confident	8 Å²	8	46 Å²	46	6%	0.056	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.6	174.7	79.3	0	0	0	0	113.9	S39 Y40 F41	S39-S43 VanDerWaalsContact O-CB 3.23Å; S39-S43 WeakPolarHBondContact O-CB 3.35Å; S39-S43 PolarHBondContact O-N 3.37Å; Y40-S43 PolarHBondContact O-N 2.71Å; Y40-S43 PolarHBondContact O-OG 3.1Å; F41-S43 PolarHBondContact O-N 3.28Å
44	Q	81.4	Confident	82.2	Confident	107 Å²	107	42.3 Å²	42.3	50%	0.5	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-18.2	176.4	-56.8	-176.7	3	0	0	113.1	F41 L42 I46	F41-Q44 WeakPolarHBondContact O-CB 3.23Å; F41-Q44 PolarHBondContact O-N 3.4Å; F41-Q44 VanDerWaalsContact O-N 3.08Å; L42-Q44 PolarHBondContact O-N 3.33Å; Q44-I46 PolarHBondContact O-N 2.91Å
45	T	86.5	Confident	82.7	Confident	37 Å²	37	40.8 Å²	40.8	23%	0.227	22%	0.215	C	C	.	.			trans	-102.3	55.3	-175.4	57.3	0	0	0	0	111.5	L42 Q388 Y404	L42-T45 PolarHBondContact O-N 2.97Å; L42-T45 PolarHBondContact O-OG1 3.01Å; T45-Q388 WeakPolarHBondContact O-CG 3.43Å; T45-Q388 PolarHBondContact O-NE2 3.05Å; T45-Q388 PolarHBondContact O-OE1 3.36Å; T45-Y404 HydrophobicContact CG2-CD1 3.86Å; T45-Y404 HydrophobicContact CG2-CE1 3.68Å; T45-Y404 HydrophobicContact CG2-CG 4.41Å; T45-Y404 WeakPolarHBondContact O-CB 3.45Å
46	I	89.6	Confident	83.2	Confident	12 Å²	12	36 Å²	36	6%	0.062	19%	0.191	C	C	.	.			trans	-69	134.6	-178.5	-63.3	174.9	0	0	0	110.9	Q44 N48 F347 I359 V368 K369 Y404	Q44-I46 PolarHBondContact O-N 2.91Å; I46-N48 PolarHBondContact O-N 3.38Å; I46-F347 HydrophobicContact CD1-CE1 4.29Å; I46-F347 HydrophobicContact CD1-CE2 4.08Å; I46-F347 HydrophobicContact CD1-CZ 3.88Å; I46-F347 HydrophobicContact CG1-CE2 4.42Å; I46-I359 HydrophobicContact CG2-CD1 3.23Å; I46-V368 HydrophobicContact CD1-CG1 3.86Å; I46-K369 HydrophobicContact CG2-CG 4.27Å; I46-Y404 VanDerWaalsContact O-CD2 3.24Å; I46-Y404 WeakPolarHBondContact O-CD2 3.47Å
47	P	90.3	Very high	83.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.194	C	C	.	.			trans	-58.7	138.2	-176.1	-24.3	38.9	0	0	0	111.9	Y371 W383 Q388 I390 W402	P47-Y371 VanDerWaalsContact O-CE2 3.25Å; P47-Y371 WeakPolarHBondContact O-CE2 3.44Å; P47-W383 HydrophobicContact CG-CZ2 4.47Å; P47-Q388 WeakPolarHBondContact CG-O 3.32Å; P47-I390 HydrophobicContact CB-CD1 4.23Å; P47-I390 HydrophobicContact CB-CG1 4.49Å; P47-I390 HydrophobicContact CG-CB 4.39Å; P47-I390 HydrophobicContact CG-CD1 3.77Å; P47-I390 HydrophobicContact CG-CG1 3.92Å; P47-W402 HydrophobicContact CB-CB 3.96Å
48	N	89.2	Confident	84.2	Confident	10 Å²	10	43 Å²	43	5%	0.053	21%	0.207	C	C	.	.			trans	-145	0.6	-167.7	69.6	8.8	0	0	0	115	I46 Y371 V403 N405	I46-N48 PolarHBondContact O-N 3.38Å; N48-Y371 HydrophobicContact CB-CE1 3.73Å; N48-Y371 HydrophobicContact CB-CE2 4.48Å; N48-Y371 WeakPolarHBondContact CB-OH 3.47Å; N48-V403 PolarHBondContact N-O 3.36Å; N48-V403 PolarHBondContact OD1-O 3.3Å; N48-N405 PolarHBondContact ND2-O 3.14Å; N48-N405 PolarHBondContact OD1-N 3.08Å; N48-N405 PolarHBondContact OD1-O 2.93Å
49	E	88.5	Confident	85	Confident	40 Å²	40	40.6 Å²	40.6	19%	0.187	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	139	-178.9	177.2	159.8	-110.6	0	0	110.4	L51 W402 V403 N405 K408	E49-L51 PolarHBondContact O-N 2.91Å; E49-W402 CarbonylContact O-C 3.5Å; E49-W402 WeakPolarHBondContact O-CA 3.38Å; E49-V403 PolarHBondContact N-O 3.19Å; E49-V403 VanDerWaalsContact N-O 3.1Å; E49-V403 PolarHBondContact O-N 2.97Å; E49-N405 HydrophobicContact CB-CB 4.2Å; E49-N405 WeakPolarHBondContact OE2-CB 3.44Å; E49-N405 VanDerWaalsContact OE2-CG 3.29Å; E49-N405 PolarHBondContact OE2-ND2 3.42Å; E49-K408 VanDerWaalsContact OE1-CE 3.3Å; E49-K408 WeakPolarHBondContact OE1-CE 3.5Å; E49-K408 IonicContact OE1-NZ 2.92Å; E49-K408 PolarHBondContact OE1-NZ 3.24Å
50	V	88.4	Confident	85.9	Confident	25 Å²	25	39.9 Å²	39.9	15%	0.152	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.4	171.7	180	0	0	0	0	108.1	W52 C401 W402	V50-W52 WeakPolarHBondContact CG1-O 3.08Å; V50-C401 CarbonylContact C-O 3.59Å; V50-C401 WeakPolarHBondContact CA-O 3.24Å; V50-W402 HydrophobicContact CG2-CD2 3.85Å; V50-W402 HydrophobicContact CG2-CE3 3.92Å; V50-W402 HydrophobicContact CG2-CH2 3.52Å; V50-W402 HydrophobicContact CG2-CZ2 3.43Å; V50-W402 VanDerWaalsContact CG2-CZ2 3.43Å; V50-W402 HydrophobicContact CG2-CZ3 3.77Å
51	L	86	Confident	86.5	Confident	33 Å²	33	35.4 Å²	35.4	17%	0.173	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-49.2	171.7	-174.9	63.1	0	0	0	110.1	E49 C401 V403	E49-L51 PolarHBondContact O-N 2.91Å; L51-C401 PolarHBondContact N-O 3.16Å; L51-V403 HydrophobicContact CB-CG1 4.07Å; L51-V403 HydrophobicContact CB-CG2 4.03Å; L51-V403 HydrophobicContact CD1-CG2 4.14Å; L51-V403 HydrophobicContact CD2-CG1 3.89Å; L51-V403 HydrophobicContact CG-CG1 4.46Å
52	W	88	Confident	87.4	Confident	1 Å²	1	31 Å²	31	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	159.1	176.9	48.4	-107.5	0	0	0	109.6	V50 L54 H89 Y90 F91 C401 Y453 V455	V50-W52 WeakPolarHBondContact CG1-O 3.08Å; W52-L54 HydrophobicContact CE3-CB 4.49Å; W52-L54 HydrophobicContact CZ3-CB 4.27Å; W52-H89 PolarHBondContact NE1-O 3.1Å; W52-Y90 HydrophobicContact CB-CD1 4.43Å; W52-Y90 HydrophobicContact CB-CE1 4.3Å; W52-Y90 AromaticContact CD1-CD1 3.41Å; W52-Y90 VanDerWaalsContact CD1-CD1 3.41Å; W52-Y90 AromaticContact CD1-CE1 3.67Å; W52-Y90 AromaticContact CG-CD1 3.96Å; W52-Y90 HydrophobicContact CG-CD1 3.96Å; W52-Y90 HydrophobicContact CG-CE1 4.21Å; W52-Y90 AromaticContact NE1-CD1 3.86Å; W52-F91 HydrophobicContact CH2-CB 4.06Å; W52-F91 AromaticContact CH2-CD1 3.78Å; W52-F91 HydrophobicContact CH2-CD1 3.78Å; W52-F91 AromaticContact CH2-CD2 3.57Å; W52-F91 HydrophobicContact CH2-CD2 3.57Å; W52-F91 HydrophobicContact CH2-CE1 4.04Å; W52-F91 AromaticContact CH2-CE2 3.83Å; W52-F91 HydrophobicContact CH2-CE2 3.83Å; W52-F91 AromaticContact CH2-CG 3.53Å; W52-F91 HydrophobicContact CH2-CG 3.53Å; W52-F91 HydrophobicContact CH2-CZ 4.08Å; W52-F91 HydrophobicContact CZ2-CB 4.25Å; W52-F91 AromaticContact CZ2-CD1 3.53Å; W52-F91 HydrophobicContact CZ2-CD1 3.53Å; W52-F91 HydrophobicContact CZ2-CD2 4.22Å; W52-F91 AromaticContact CZ2-CE1 3.83Å; W52-F91 HydrophobicContact CZ2-CE1 3.83Å; W52-F91 HydrophobicContact CZ2-CE2 4.46Å; W52-F91 AromaticContact CZ2-CG 3.74Å; W52-F91 HydrophobicContact CZ2-CG 3.74Å; W52-F91 HydrophobicContact CZ2-CZ 4.3Å; W52-C401 HydrophobicContact CD2-CB 3.7Å; W52-C401 HydrophobicContact CE3-CB 3.86Å; W52-C401 HydrophobicContact CG-CB 4.5Å; W52-C401 HydrophobicContact CH2-CB 3.49Å; W52-C401 VanDerWaalsContact CH2-CB 3.49Å; W52-C401 HydrophobicContact CZ2-CB 3.3Å; W52-C401 HydrophobicContact CZ3-CB 3.77Å; W52-C401 PolarHBondContact O-N 3.47Å; W52-Y453 HydrophobicContact CB-CD1 4.24Å; W52-Y453 HydrophobicContact CB-CE1 4.48Å; W52-Y453 HydrophobicContact CD2-CD1 4.38Å; W52-Y453 AromaticContact CD2-CE1 3.79Å; W52-Y453 HydrophobicContact CD2-CE1 3.79Å; W52-Y453 HydrophobicContact CE3-CD1 4.25Å; W52-Y453 AromaticContact CE3-CE1 3.66Å; W52-Y453 HydrophobicContact CE3-CE1 3.66Å; W52-Y453 HydrophobicContact CG-CD1 4.4Å; W52-Y453 HydrophobicContact CG-CE1 4.15Å; W52-Y453 HydrophobicContact CZ3-CE1 4.18Å; W52-V455 HydrophobicContact CB-CG2 4.18Å
53	S	88.6	Confident	88.2	Confident	22 Å²	22	28 Å²	28	15%	0.154	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.8	167.5	-64.1	0	0	0	0	109.1	I399 S400 Y453 R454	S53-I399 CarbonylContact C-O 3.53Å; S53-I399 WeakPolarHBondContact CA-O 3.16Å; S53-S400 PolarHBondContact OG-OG 2.77Å; S53-Y453 CarbonylContact O-C 3.59Å; S53-Y453 WeakPolarHBondContact O-CA 3.4Å; S53-R454 PolarHBondContact N-O 2.92Å; S53-R454 PolarHBondContact O-N 3.17Å
54	L	88.1	Confident	89	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	111.7	170.4	-172.8	71.9	0	0	0	107.6	W52 F84 I399 L446 L451 Y453	W52-L54 HydrophobicContact CE3-CB 4.49Å; W52-L54 HydrophobicContact CZ3-CB 4.27Å; L54-F84 HydrophobicContact CD2-CE1 3.66Å; L54-F84 HydrophobicContact CD2-CZ 3.78Å; L54-I399 HydrophobicContact CB-CB 4.27Å; L54-I399 HydrophobicContact CD2-CD1 4.27Å; L54-I399 PolarHBondContact N-O 3.12Å; L54-I399 PolarHBondContact O-N 3.14Å; L54-L446 HydrophobicContact CD1-CD2 4.29Å; L54-L446 HydrophobicContact CD2-CD2 4.48Å; L54-L451 HydrophobicContact CD1-CB 3.99Å; L54-L451 HydrophobicContact CD2-CB 4.29Å; L54-L451 HydrophobicContact CD2-CD1 4.26Å; L54-L451 HydrophobicContact CD2-CD2 4.08Å; L54-L451 HydrophobicContact CD2-CG 4.45Å; L54-L451 HydrophobicContact CG-CB 4.18Å; L54-L451 HydrophobicContact CG-CD2 4.28Å; L54-Y453 HydrophobicContact CB-CD1 4.42Å; L54-Y453 HydrophobicContact CB-CE1 4.24Å; L54-Y453 HydrophobicContact CD1-CD1 3.91Å; L54-Y453 HydrophobicContact CD1-CD2 3.88Å; L54-Y453 HydrophobicContact CD1-CE1 3.9Å; L54-Y453 HydrophobicContact CD1-CE2 3.89Å; L54-Y453 HydrophobicContact CD1-CG 3.89Å
55	G	84.4	Confident	89.7	Confident	11 Å²	11	24.3 Å²	24.3	11%	0.113	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.3	175.9	0	0	0	0	0	110.5	L451 K452	G55-L451 WeakPolarHBondContact O-CA 3.31Å; G55-K452 PolarHBondContact N-O 2.66Å; G55-K452 PolarHBondContact O-N 3.46Å; G55-K452 VanDerWaalsContact O-N 3.1Å
56	C	83.1	Confident	90	Very high	10 Å²	10	23.5 Å²	23.5	7%	0.068	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	148.4	166.2	-168	0	0	0	0	109.3	N58 V60 G397 L451	C56-N58 PolarHBondContact O-N 2.82Å; C56-V60 HydrophobicContact CB-CG2 4.25Å; C56-G397 WeakPolarHBondContact CB-O 3.2Å; C56-G397 PolarHBondContact N-O 3.19Å; C56-L451 HydrophobicContact CB-CD2 3.85Å
57	Y	81.4	Confident	90	Very high	167 Å²	167	25.6 Å²	25.6	66%	0.655	13%	0.132	S	C	*	.	S	Bend	trans	-67.7	-21.8	175.5	-69.9	-71.2	0	0	0	113.6	G450	Y57-G450 WeakPolarHBondContact CD2-O 3.4Å; Y57-G450 WeakPolarHBondContact CE2-O 3.49Å
58	N	88.1	Confident	90	Very high	58 Å²	58	27.6 Å²	27.6	31%	0.31	15%	0.146	S	C	.	.	S	Bend	trans	-119.8	148.7	-172.6	-59.7	-36	0	0	0	110.4	C56 V60 Q77 D78 G397	C56-N58 PolarHBondContact O-N 2.82Å; N58-V60 PolarHBondContact O-N 3.5Å; N58-Q77 HydrophobicContact CB-CB 4.43Å; N58-D78 HydrophobicContact CB-CB 4.33Å; N58-D78 WeakPolarHBondContact ND2-CB 3.34Å; N58-D78 VanDerWaalsContact ND2-CG 3.29Å; N58-D78 PolarHBondContact ND2-OD2 2.66Å; N58-G397 WeakPolarHBondContact O-CA 3.18Å
59	D	91.3	Very high	90.1	Very high	32 Å²	32	27.1 Å²	27.1	17%	0.171	14%	0.144	C	C	.	.			trans	-54.1	139.2	178.2	-71.3	-6.5	0	0	0	111.8	Y61 S76 Q77 T395	D59-Y61 HydrophobicContact CB-CD2 4.04Å; D59-Y61 HydrophobicContact CB-CE2 3.42Å; D59-Y61 VanDerWaalsContact CB-CE2 3.42Å; D59-Y61 PolarHBondContact OD2-OH 3.36Å; D59-Y61 VanDerWaalsContact OD2-OH 3.1Å; D59-S76 CarbonylContact O-C 3.53Å; D59-S76 WeakPolarHBondContact O-CA 3.03Å; D59-Q77 HydrophobicContact CB-CB 4.11Å; D59-Q77 PolarHBondContact O-N 3.49Å; D59-T395 VanDerWaalsContact CG-CA 3.45Å; D59-T395 VanDerWaalsContact OD1-CA 3.29Å; D59-T395 WeakPolarHBondContact OD1-CA 3.43Å
60	V	93.7	Very high	90.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107.2	176.8	179.4	0	0	0	0	108	C56 N58 C62 T74 A75 C393 G394 I399	C56-V60 HydrophobicContact CB-CG2 4.25Å; N58-V60 PolarHBondContact O-N 3.5Å; V60-C62 WeakPolarHBondContact CG1-O 3.3Å; V60-T74 HydrophobicContact CG1-CG2 4.24Å; V60-A75 CarbonylContact C-O 3.5Å; V60-A75 WeakPolarHBondContact CA-O 3.25Å; V60-C393 HydrophobicContact CB-CB 3.98Å; V60-C393 HydrophobicContact CG1-CB 3.58Å; V60-C393 CarbonylContact O-C 3.57Å; V60-G394 PolarHBondContact N-O 2.87Å; V60-G394 WeakPolarHBondContact O-CA 3.3Å; V60-G394 PolarHBondContact O-N 3.39Å; V60-G394 VanDerWaalsContact O-N 3.14Å; V60-I399 HydrophobicContact CG1-CG1 4.33Å; V60-I399 HydrophobicContact CG2-CD1 4.2Å; V60-I399 HydrophobicContact CG2-CG1 4.15Å
61	Y	93.7	Very high	90.5	Very high	14 Å²	14	29.5 Å²	29.5	6%	0.055	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-20.3	-174.1	-75.3	-88.8	0	0	0	113.6	D59 A75 Q77 W104 S105 R379	D59-Y61 HydrophobicContact CB-CD2 4.04Å; D59-Y61 HydrophobicContact CB-CE2 3.42Å; D59-Y61 VanDerWaalsContact CB-CE2 3.42Å; D59-Y61 PolarHBondContact OD2-OH 3.36Å; D59-Y61 VanDerWaalsContact OD2-OH 3.1Å; Y61-A75 PolarHBondContact N-O 2.8Å; Y61-Q77 HydrophobicContact CE2-CB 4.18Å; Y61-Q77 HydrophobicContact CE2-CG 4.42Å; Y61-W104 HydrophobicContact CD1-CH2 4.4Å; Y61-W104 AromaticContact CE1-CH2 3.75Å; Y61-W104 HydrophobicContact CE1-CH2 3.75Å; Y61-W104 HydrophobicContact CE1-CZ2 4Å; Y61-W104 HydrophobicContact CE2-CZ2 4.5Å; Y61-W104 AromaticContact CZ-CH2 3.93Å; Y61-W104 AromaticContact CZ-CZ2 3.74Å; Y61-W104 WeakPolarHBondContact OH-CZ2 3.49Å; Y61-S105 WeakPolarHBondContact CD2-OG 3.41Å; Y61-R379 HydrophobicContact CD1-CG 4.04Å; Y61-R379 WeakPolarHBondContact O-CG 3.38Å
62	C	95.5	Very high	91	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.8	177.2	-55.6	0	0	0	0	110.5	V60 T74 A75 V107 L109 R334 C393	V60-C62 WeakPolarHBondContact CG1-O 3.3Å; C62-T74 CarbonylContact O-C 3.59Å; C62-T74 VanDerWaalsContact O-CA 3.31Å; C62-T74 WeakPolarHBondContact O-CA 3.31Å; C62-A75 HydrophobicContact CB-CB 4Å; C62-A75 PolarHBondContact N-O 3.48Å; C62-A75 PolarHBondContact O-N 3.28Å; C62-V107 VanDerWaalsContact SG-C 3.56Å; C62-V107 PolarHBondContact SG-O 2.87Å; C62-L109 HydrophobicContact CB-CD2 3.31Å; C62-L109 HydrophobicContact CB-CG 3.91Å; C62-R334 PolarHBondContact SG-NH2 2.8Å; C62-R334 VanDerWaalsContact SG-NH2 3.37Å; C62-C393 VanDerWaalsContact C-SG 3.6Å
63	G	95.9	Very high	91.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	128.9	172.9	0	0	0	0	0	109.1	F73 N382	G63-F73 CarbonylContact C-O 3.56Å; G63-F73 VanDerWaalsContact CA-O 3.29Å; G63-F73 WeakPolarHBondContact CA-O 3.26Å; G63-N382 WeakPolarHBondContact O-CB 3.39Å
64	I	96.6	Very high	91.7	Very high	26 Å²	26	26.9 Å²	26.9	13%	0.133	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	141.8	-179.8	-173.3	160.9	0	0	0	111.3	F72 F73 L109 L111	I64-F72 VanDerWaalsContact C-CD2 3.41Å; I64-F72 CarbonylContact O-C 3.5Å; I64-F72 WeakPolarHBondContact O-CA 3.26Å; I64-F72 WeakPolarHBondContact O-CD2 3.26Å; I64-F73 HydrophobicContact CG2-CB 3.87Å; I64-F73 HydrophobicContact CG2-CD2 4.18Å; I64-F73 HydrophobicContact CG2-CG 4.44Å; I64-F73 PolarHBondContact N-O 2.76Å; I64-F73 PolarHBondContact O-N 2.93Å; I64-L109 HydrophobicContact CB-CD1 3.69Å; I64-L109 HydrophobicContact CD1-CD1 4.18Å; I64-L109 HydrophobicContact CG2-CD1 3.02Å; I64-L109 HydrophobicContact CG2-CG 4.38Å; I64-L111 HydrophobicContact CD1-CD1 4.38Å; I64-L111 HydrophobicContact CG1-CD1 4.39Å; I64-L111 HydrophobicContact CG2-CD1 4.34Å
65	Y	96.2	Very high	92	Very high	11 Å²	11	26.9 Å²	26.9	4%	0.043	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	146.3	162.6	-74.1	-77.5	0	0	0	111.4	L71 F72 F91 N382 H384 V391	Y65-L71 WeakPolarHBondContact CA-O 3.41Å; Y65-F72 HydrophobicContact CD1-CB 4.15Å; Y65-F72 AromaticContact CD1-CD2 3.62Å; Y65-F72 HydrophobicContact CD1-CD2 3.62Å; Y65-F72 HydrophobicContact CD1-CG 4.37Å; Y65-F72 AromaticContact CD2-CD2 3.74Å; Y65-F72 HydrophobicContact CD2-CD2 3.74Å; Y65-F72 AromaticContact CD2-CE2 3.85Å; Y65-F72 HydrophobicContact CD2-CE2 3.85Å; Y65-F72 HydrophobicContact CE1-CB 4.13Å; Y65-F72 AromaticContact CE1-CD2 3.67Å; Y65-F72 HydrophobicContact CE1-CD2 3.67Å; Y65-F72 HydrophobicContact CE1-CG 4.28Å; Y65-F72 AromaticContact CE2-CD2 3.79Å; Y65-F72 HydrophobicContact CE2-CD2 3.79Å; Y65-F72 AromaticContact CE2-CE2 3.82Å; Y65-F72 HydrophobicContact CE2-CE2 3.82Å; Y65-F72 AromaticContact CG-CD2 3.67Å; Y65-F72 HydrophobicContact CG-CD2 3.67Å; Y65-F72 HydrophobicContact CG-CE2 4.23Å; Y65-F72 AromaticContact CZ-CD2 3.79Å; Y65-F91 HydrophobicContact CE1-CE1 4.45Å; Y65-F91 AromaticContact CE1-CZ 3.87Å; Y65-F91 HydrophobicContact CE1-CZ 3.87Å; Y65-F91 AromaticContact CZ-CZ 3.91Å; Y65-F91 WeakPolarHBondContact OH-CZ 3.33Å; Y65-N382 HydrophobicContact CD2-CB 4.16Å; Y65-N382 WeakPolarHBondContact CD2-OD1 3.4Å; Y65-N382 PolarHBondContact N-OD1 3.22Å; Y65-H384 AromaticContact CD1-CD2 3.78Å; Y65-H384 HydrophobicContact CD2-CB 4.42Å; Y65-H384 AromaticContact CE1-CD2 3.54Å; Y65-H384 HydrophobicContact CE2-CB 4.04Å; Y65-H384 AromaticContact CZ-CD2 3.83Å; Y65-V391 HydrophobicContact CE2-CB 4.5Å; Y65-V391 HydrophobicContact CE2-CG2 4.06Å; Y65-V391 WeakPolarHBondContact OH-CG2 3.15Å
66	N	93.5	Very high	92.4	Very high	20 Å²	20	26.3 Å²	26.3	11%	0.107	14%	0.136	C	C	.	.			trans	-66.6	170.5	163.5	74.9	-21.8	0	0	0	111.7	S68 G69 D70 L71 F73 L111	N66-S68 PolarHBondContact ND2-OG 3.49Å; N66-S68 PolarHBondContact O-N 2.77Å; N66-S68 PolarHBondContact OD1-OG 3.28Å; N66-G69 PolarHBondContact O-N 2.85Å; N66-G69 WeakPolarHBondContact OD1-CA 3.13Å; N66-G69 PolarHBondContact OD1-N 3.45Å; N66-D70 PolarHBondContact OD1-N 3.07Å; N66-D70 VanDerWaalsContact OD1-N 3.07Å; N66-L71 HydrophobicContact CB-CB 4.31Å; N66-L71 PolarHBondContact N-O 3.3Å; N66-L71 PolarHBondContact OD1-N 3.07Å; N66-L71 VanDerWaalsContact OD1-N 3.07Å; N66-L71 PolarHBondContact OD1-O 3.08Å; N66-F73 HydrophobicContact CB-CE2 4.25Å; N66-L111 HydrophobicContact CB-CD1 3.97Å
67	S	90	Very high	92.8	Very high	55 Å²	55	28.8 Å²	28.8	39%	0.385	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.1	-177.8	54.2	0	0	0	0	114.1	Y386	S67-Y386 WeakPolarHBondContact O-CE2 3.3Å; S67-Y386 PolarHBondContact O-OH 3.03Å; S67-Y386 VanDerWaalsContact O-OH 3.08Å
68	S	90.4	Very high	93.3	Very high	42 Å²	42	21.8 Å²	21.8	29%	0.294	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-24.4	173.6	73.5	0	0	0	0	113.2	N66 D70 Y386	N66-S68 PolarHBondContact ND2-OG 3.49Å; N66-S68 PolarHBondContact O-N 2.77Å; N66-S68 PolarHBondContact OD1-OG 3.28Å; S68-D70 VanDerWaalsContact C-N 3.29Å; S68-D70 WeakPolarHBondContact CB-OD2 3.46Å; S68-D70 VanDerWaalsContact OG-CG 3.3Å; S68-D70 PolarHBondContact OG-N 3.32Å; S68-D70 PolarHBondContact OG-OD2 3.46Å; S68-Y386 VanDerWaalsContact O-CD2 3.28Å; S68-Y386 WeakPolarHBondContact O-CD2 3.32Å; S68-Y386 VanDerWaalsContact O-CE2 3.22Å; S68-Y386 WeakPolarHBondContact O-CE2 3.33Å
69	G	91.7	Very high	93.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	84.6	-3	-174.5	0	0	0	0	0	114.4	N66 L71 S86 H384	N66-G69 PolarHBondContact O-N 2.85Å; N66-G69 WeakPolarHBondContact OD1-CA 3.13Å; N66-G69 PolarHBondContact OD1-N 3.45Å; G69-L71 VanDerWaalsContact C-N 3.34Å; G69-S86 PolarHBondContact O-OG 2.97Å; G69-H384 VanDerWaalsContact CA-NE2 3.25Å; G69-H384 WeakPolarHBondContact CA-NE2 3.35Å; G69-H384 PolarHBondContact O-NE2 3.28Å
70	D	91	Very high	93.4	Very high	83 Å²	83	18.4 Å²	18.4	44%	0.444	10%	0.101	S	C	.	.	S	Bend	trans	-79.9	-17.2	-177.9	-50.5	-49.7	0	0	0	113.1	N66 S68 S86	N66-D70 PolarHBondContact OD1-N 3.07Å; N66-D70 VanDerWaalsContact OD1-N 3.07Å; S68-D70 VanDerWaalsContact C-N 3.29Å; S68-D70 WeakPolarHBondContact CB-OD2 3.46Å; S68-D70 VanDerWaalsContact OG-CG 3.3Å; S68-D70 PolarHBondContact OG-N 3.32Å; S68-D70 PolarHBondContact OG-OD2 3.46Å; D70-S86 PolarHBondContact O-N 3.19Å; D70-S86 PolarHBondContact O-OG 2.96Å
71	L	93.8	Very high	93.4	Very high	33 Å²	33	18.3 Å²	18.3	17%	0.173	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144	175.7	-62.4	176.6	0	0	0	111.3	Y65 N66 G69 F73 F84 S86 V135	Y65-L71 WeakPolarHBondContact CA-O 3.41Å; N66-L71 HydrophobicContact CB-CB 4.31Å; N66-L71 PolarHBondContact N-O 3.3Å; N66-L71 PolarHBondContact OD1-N 3.07Å; N66-L71 VanDerWaalsContact OD1-N 3.07Å; N66-L71 PolarHBondContact OD1-O 3.08Å; G69-L71 VanDerWaalsContact C-N 3.34Å; L71-F73 HydrophobicContact CB-CE2 3.88Å; L71-F73 HydrophobicContact CB-CZ 4.18Å; L71-F73 HydrophobicContact CD1-CZ 4.11Å; L71-F84 CarbonylContact C-O 3.51Å; L71-F84 VanDerWaalsContact CA-O 3.29Å; L71-F84 WeakPolarHBondContact CA-O 3.38Å; L71-S86 PolarHBondContact N-OG 2.79Å; L71-V135 HydrophobicContact CD1-CG2 3.95Å
72	F	95.9	Very high	93.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.6	171.8	-167.9	-103.2	0	0	0	111	I64 Y65 T74 F84 F91 N382 V391 I399	I64-F72 VanDerWaalsContact C-CD2 3.41Å; I64-F72 CarbonylContact O-C 3.5Å; I64-F72 WeakPolarHBondContact O-CA 3.26Å; I64-F72 WeakPolarHBondContact O-CD2 3.26Å; Y65-F72 HydrophobicContact CD1-CB 4.15Å; Y65-F72 AromaticContact CD1-CD2 3.62Å; Y65-F72 HydrophobicContact CD1-CD2 3.62Å; Y65-F72 HydrophobicContact CD1-CG 4.37Å; Y65-F72 AromaticContact CD2-CD2 3.74Å; Y65-F72 HydrophobicContact CD2-CD2 3.74Å; Y65-F72 AromaticContact CD2-CE2 3.85Å; Y65-F72 HydrophobicContact CD2-CE2 3.85Å; Y65-F72 HydrophobicContact CE1-CB 4.13Å; Y65-F72 AromaticContact CE1-CD2 3.67Å; Y65-F72 HydrophobicContact CE1-CD2 3.67Å; Y65-F72 HydrophobicContact CE1-CG 4.28Å; Y65-F72 AromaticContact CE2-CD2 3.79Å; Y65-F72 HydrophobicContact CE2-CD2 3.79Å; Y65-F72 AromaticContact CE2-CE2 3.82Å; Y65-F72 HydrophobicContact CE2-CE2 3.82Å; Y65-F72 AromaticContact CG-CD2 3.67Å; Y65-F72 HydrophobicContact CG-CD2 3.67Å; Y65-F72 HydrophobicContact CG-CE2 4.23Å; Y65-F72 AromaticContact CZ-CD2 3.79Å; F72-T74 HydrophobicContact CD1-CG2 3.69Å; F72-T74 HydrophobicContact CE1-CG2 3.37Å; F72-T74 HydrophobicContact CZ-CG2 4.48Å; F72-F84 HydrophobicContact CB-CB 4.37Å; F72-F84 HydrophobicContact CD1-CD2 4.39Å; F72-F84 PolarHBondContact N-O 3.28Å; F72-F84 PolarHBondContact O-N 3.01Å; F72-F91 HydrophobicContact CB-CD2 4.17Å; F72-F91 HydrophobicContact CB-CE2 3.54Å; F72-F91 HydrophobicContact CB-CZ 3.93Å; F72-F91 HydrophobicContact CD1-CD2 4.13Å; F72-F91 AromaticContact CD1-CE2 3.44Å; F72-F91 HydrophobicContact CD1-CE2 3.44Å; F72-F91 VanDerWaalsContact CD1-CE2 3.44Å; F72-F91 HydrophobicContact CD1-CZ 4.38Å; F72-F91 HydrophobicContact CD2-CE2 4.25Å; F72-F91 HydrophobicContact CD2-CZ 4.45Å; F72-F91 HydrophobicContact CE1-CE2 4.14Å; F72-F91 HydrophobicContact CG-CD2 4.38Å; F72-F91 AromaticContact CG-CE2 3.48Å; F72-F91 HydrophobicContact CG-CE2 3.48Å; F72-F91 VanDerWaalsContact CG-CE2 3.48Å; F72-F91 HydrophobicContact CG-CZ 4.02Å; F72-N382 HydrophobicContact CE2-CB 4.12Å; F72-V391 HydrophobicContact CE1-CB 4.35Å; F72-V391 HydrophobicContact CE1-CG1 3.66Å; F72-V391 HydrophobicContact CE2-CB 3.95Å; F72-V391 HydrophobicContact CE2-CG1 4.16Å; F72-V391 HydrophobicContact CE2-CG2 4.33Å; F72-V391 HydrophobicContact CZ-CB 3.68Å; F72-V391 HydrophobicContact CZ-CG1 3.39Å; F72-V391 HydrophobicContact CZ-CG2 4.34Å; F72-I399 HydrophobicContact CE1-CG2 4.29Å
73	F	95.9	Very high	93.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.2	-179.6	-57.8	-96.5	0	0	0	109.5	G63 I64 N66 L71 I81 R82 V83 L111 L118 L132	G63-F73 CarbonylContact C-O 3.56Å; G63-F73 VanDerWaalsContact CA-O 3.29Å; G63-F73 WeakPolarHBondContact CA-O 3.26Å; I64-F73 HydrophobicContact CG2-CB 3.87Å; I64-F73 HydrophobicContact CG2-CD2 4.18Å; I64-F73 HydrophobicContact CG2-CG 4.44Å; I64-F73 PolarHBondContact N-O 2.76Å; I64-F73 PolarHBondContact O-N 2.93Å; N66-F73 HydrophobicContact CB-CE2 4.25Å; L71-F73 HydrophobicContact CB-CE2 3.88Å; L71-F73 HydrophobicContact CB-CZ 4.18Å; L71-F73 HydrophobicContact CD1-CZ 4.11Å; F73-I81 HydrophobicContact CB-CG2 4.1Å; F73-I81 HydrophobicContact CD1-CG2 4.23Å; F73-R82 WeakPolarHBondContact CA-O 3.49Å; F73-V83 HydrophobicContact CD1-CB 4.29Å; F73-V83 HydrophobicContact CD1-CG1 3.88Å; F73-V83 HydrophobicContact CD1-CG2 3.75Å; F73-V83 HydrophobicContact CE1-CB 4.24Å; F73-V83 HydrophobicContact CE1-CG1 3.49Å; F73-V83 VanDerWaalsContact CE1-CG1 3.49Å; F73-V83 HydrophobicContact CE1-CG2 3.77Å; F73-V83 HydrophobicContact CZ-CG1 4.01Å; F73-L111 HydrophobicContact CD2-CD1 4.18Å; F73-L111 HydrophobicContact CE2-CD1 4.08Å; F73-L111 HydrophobicContact CE2-CD2 4.23Å; F73-L111 HydrophobicContact CZ-CD2 4.49Å; F73-L118 HydrophobicContact CD1-CD2 3.9Å; F73-L118 HydrophobicContact CE1-CD2 4.27Å; F73-L132 HydrophobicContact CE1-CD1 4.05Å; F73-L132 HydrophobicContact CE1-CD2 3.87Å; F73-L132 HydrophobicContact CE2-CD1 4.42Å; F73-L132 HydrophobicContact CZ-CD1 3.61Å; F73-L132 HydrophobicContact CZ-CD2 4.18Å
74	T	96	Very high	93.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.1	174.6	61.5	0	0	0	0	110.4	V60 C62 F72 I81 R82 F84 I399	V60-T74 HydrophobicContact CG1-CG2 4.24Å; C62-T74 CarbonylContact O-C 3.59Å; C62-T74 VanDerWaalsContact O-CA 3.31Å; C62-T74 WeakPolarHBondContact O-CA 3.31Å; F72-T74 HydrophobicContact CD1-CG2 3.69Å; F72-T74 HydrophobicContact CE1-CG2 3.37Å; F72-T74 HydrophobicContact CZ-CG2 4.48Å; T74-I81 CarbonylContact O-C 3.6Å; T74-I81 WeakPolarHBondContact O-CA 3.48Å; T74-R82 PolarHBondContact N-O 2.93Å; T74-R82 PolarHBondContact O-N 3.34Å; T74-F84 HydrophobicContact CG2-CD2 4.34Å; T74-F84 HydrophobicContact CG2-CE2 3.88Å; T74-F84 WeakPolarHBondContact OG1-CE2 3.22Å; T74-I399 HydrophobicContact CG2-CD1 3.71Å; T74-I399 HydrophobicContact CG2-CG1 4.15Å
75	A	95.1	Very high	92.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.9	174.6	0	0	0	0	0	110.9	V60 Y61 C62 I81 I106 L109	V60-A75 CarbonylContact C-O 3.5Å; V60-A75 WeakPolarHBondContact CA-O 3.25Å; Y61-A75 PolarHBondContact N-O 2.8Å; C62-A75 HydrophobicContact CB-CB 4Å; C62-A75 PolarHBondContact N-O 3.48Å; C62-A75 PolarHBondContact O-N 3.28Å; A75-I81 HydrophobicContact CB-CG1 4.08Å; A75-I106 HydrophobicContact CB-CB 3.83Å; A75-I106 HydrophobicContact CB-CG2 3.52Å; A75-L109 HydrophobicContact CB-CD2 3.56Å
76	S	92.4	Very high	92.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	166.5	-170.5	-69	0	0	0	0	112.4	D59 D78 F80 R82 S105 I106	D59-S76 CarbonylContact O-C 3.53Å; D59-S76 WeakPolarHBondContact O-CA 3.03Å; S76-D78 WeakPolarHBondContact CB-OD1 3.4Å; S76-D78 PolarHBondContact O-N 2.68Å; S76-F80 PolarHBondContact N-O 2.82Å; S76-R82 VanDerWaalsContact CB-NH1 3.32Å; S76-R82 PolarHBondContact OG-NH1 2.7Å; S76-S105 PolarHBondContact O-OG 3.11Å; S76-I106 PolarHBondContact O-N 3.45Å
77	Q	92	Very high	92.3	Very high	62 Å²	62	21.4 Å²	21.4	29%	0.29	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.9	176.1	-167.1	179.6	8	0	0	113.6	N58 D59 Y61 G79 Y102 W104 S105	N58-Q77 HydrophobicContact CB-CB 4.43Å; D59-Q77 HydrophobicContact CB-CB 4.11Å; D59-Q77 PolarHBondContact O-N 3.49Å; Y61-Q77 HydrophobicContact CE2-CB 4.18Å; Y61-Q77 HydrophobicContact CE2-CG 4.42Å; Q77-G79 PolarHBondContact O-N 2.84Å; Q77-Y102 WeakPolarHBondContact O-CE2 3.25Å; Q77-W104 WeakPolarHBondContact CG-O 3.47Å; Q77-W104 VanDerWaalsContact O-O 3.14Å; Q77-S105 WeakPolarHBondContact CA-OG 3.26Å
78	D	90.2	Very high	91.8	Very high	19 Å²	19	20.5 Å²	20.5	10%	0.102	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	7.7	-179.3	54.3	7.7	0	0	0	115	N58 S76 F80 R82 Y102	N58-D78 HydrophobicContact CB-CB 4.33Å; N58-D78 WeakPolarHBondContact ND2-CB 3.34Å; N58-D78 VanDerWaalsContact ND2-CG 3.29Å; N58-D78 PolarHBondContact ND2-OD2 2.66Å; S76-D78 WeakPolarHBondContact CB-OD1 3.4Å; S76-D78 PolarHBondContact O-N 2.68Å; D78-F80 VanDerWaalsContact C-N 3.26Å; D78-F80 HydrophobicContact CB-CD2 3.96Å; D78-F80 VanDerWaalsContact O-CD2 3.25Å; D78-F80 WeakPolarHBondContact O-CD2 3.46Å; D78-F80 PolarHBondContact O-N 3.23Å; D78-F80 PolarHBondContact OD1-N 3.49Å; D78-R82 IonicContact OD1-NH1 3.12Å; D78-R82 PolarHBondContact OD1-NH1 2.86Å; D78-R82 IonicContact OD2-CZ 3.92Å; D78-R82 IonicContact OD2-NH1 3.99Å; D78-R82 PolarHBondContact OD2-NH1 3.2Å; D78-R82 IonicContact OD2-NH2 2.73Å; D78-R82 PolarHBondContact OD2-NH2 2.74Å; D78-Y102 WeakPolarHBondContact CA-OH 3.39Å; D78-Y102 PolarHBondContact O-OH 3.16Å
79	G	90.5	Very high	91.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	78.8	8.9	-180	0	0	0	0	0	114	Q77 A99 I106	Q77-G79 PolarHBondContact O-N 2.84Å; G79-A99 WeakPolarHBondContact O-CB 3.27Å; G79-A99 PolarHBondContact O-N 3.36Å; G79-I106 WeakPolarHBondContact O-CD1 3.37Å
80	F	91.6	Very high	90.8	Very high	19 Å²	19	26.2 Å²	26.2	8%	0.083	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	138.8	175.9	-66.4	-87.4	0	0	0	111.7	S76 D78 E96 I97 N98 T538	S76-F80 PolarHBondContact N-O 2.82Å; D78-F80 VanDerWaalsContact C-N 3.26Å; D78-F80 HydrophobicContact CB-CD2 3.96Å; D78-F80 VanDerWaalsContact O-CD2 3.25Å; D78-F80 WeakPolarHBondContact O-CD2 3.46Å; D78-F80 PolarHBondContact O-N 3.23Å; D78-F80 PolarHBondContact OD1-N 3.49Å; F80-E96 HydrophobicContact CD1-CB 4.09Å; F80-E96 HydrophobicContact CD1-CG 4.14Å; F80-E96 HydrophobicContact CE1-CG 4.43Å; F80-I97 WeakPolarHBondContact CA-O 3.2Å; F80-N98 HydrophobicContact CD1-CB 3.87Å; F80-N98 HydrophobicContact CE1-CB 3.58Å; F80-N98 HydrophobicContact CZ-CB 4.4Å; F80-T538 HydrophobicContact CE2-CG2 3.69Å; F80-T538 HydrophobicContact CZ-CG2 3.92Å
81	I	93.9	Very high	90.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116.2	159.9	-59.5	174.2	0	0	0	108.2	F73 T74 A75 E96 I97 I106 L118 F120	F73-I81 HydrophobicContact CB-CG2 4.1Å; F73-I81 HydrophobicContact CD1-CG2 4.23Å; T74-I81 CarbonylContact O-C 3.6Å; T74-I81 WeakPolarHBondContact O-CA 3.48Å; A75-I81 HydrophobicContact CB-CG1 4.08Å; I81-E96 CarbonylContact O-C 3.57Å; I81-E96 VanDerWaalsContact O-CA 3.31Å; I81-E96 WeakPolarHBondContact O-CA 3.21Å; I81-I97 HydrophobicContact CB-CB 4.22Å; I81-I97 HydrophobicContact CB-CD1 4.38Å; I81-I97 HydrophobicContact CG2-CD1 4.32Å; I81-I97 PolarHBondContact N-O 3.14Å; I81-I97 PolarHBondContact O-N 3.27Å; I81-I106 HydrophobicContact CD1-CD1 4.15Å; I81-I106 HydrophobicContact CD1-CG2 4.35Å; I81-I106 HydrophobicContact CG1-CD1 3.62Å; I81-I106 HydrophobicContact CG1-CG2 4.45Å; I81-L118 HydrophobicContact CD1-CD2 4.01Å; I81-L118 HydrophobicContact CG2-CD2 4.17Å; I81-F120 HydrophobicContact CD1-CB 3.68Å; I81-F120 HydrophobicContact CD1-CD1 3.33Å; I81-F120 HydrophobicContact CD1-CD2 3.69Å; I81-F120 HydrophobicContact CD1-CE1 3.73Å; I81-F120 HydrophobicContact CD1-CE2 4.06Å; I81-F120 HydrophobicContact CD1-CG 3.28Å; I81-F120 HydrophobicContact CD1-CZ 4.06Å
82	R	92.5	Very high	90.2	Very high	13 Å²	13	25.1 Å²	25.1	5%	0.049	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	134.9	176.6	-61.8	165.1	170	81.7	3.9	109.2	F73 T74 S76 D78 F84 Y93	F73-R82 WeakPolarHBondContact CA-O 3.49Å; T74-R82 PolarHBondContact N-O 2.93Å; T74-R82 PolarHBondContact O-N 3.34Å; S76-R82 VanDerWaalsContact CB-NH1 3.32Å; S76-R82 PolarHBondContact OG-NH1 2.7Å; D78-R82 IonicContact OD1-NH1 3.12Å; D78-R82 PolarHBondContact OD1-NH1 2.86Å; D78-R82 IonicContact OD2-CZ 3.92Å; D78-R82 IonicContact OD2-NH1 3.99Å; D78-R82 PolarHBondContact OD2-NH1 3.2Å; D78-R82 IonicContact OD2-NH2 2.73Å; D78-R82 PolarHBondContact OD2-NH2 2.74Å; R82-F84 HydrophobicContact CB-CE2 3.68Å; R82-F84 HydrophobicContact CB-CZ 3.84Å; R82-Y93 HydrophobicContact CB-CE2 4.17Å; R82-Y93 HydrophobicContact CG-CE2 4.17Å
83	V	93.6	Very high	89.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.9	-178.8	-165.8	0	0	0	0	109.1	F73 M94 N95 I97 V135	F73-V83 HydrophobicContact CD1-CB 4.29Å; F73-V83 HydrophobicContact CD1-CG1 3.88Å; F73-V83 HydrophobicContact CD1-CG2 3.75Å; F73-V83 HydrophobicContact CE1-CB 4.24Å; F73-V83 HydrophobicContact CE1-CG1 3.49Å; F73-V83 VanDerWaalsContact CE1-CG1 3.49Å; F73-V83 HydrophobicContact CE1-CG2 3.77Å; F73-V83 HydrophobicContact CZ-CG1 4.01Å; V83-M94 WeakPolarHBondContact O-CB 3.26Å; V83-M94 PolarHBondContact O-N 3.27Å; V83-N95 PolarHBondContact N-O 3.48Å; V83-N95 PolarHBondContact O-N 3.41Å; V83-I97 HydrophobicContact CG2-CD1 3.98Å; V83-I97 HydrophobicContact CG2-CG1 4.45Å; V83-V135 HydrophobicContact CB-CG1 4.17Å; V83-V135 HydrophobicContact CG1-CG1 3.48Å; V83-V135 VanDerWaalsContact CG1-CG1 3.48Å
84	F	92.5	Very high	89.5	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.5	-180	-58.3	-85.4	0	0	0	110.2	L54 L71 F72 T74 R82 F91 R92 Y93 L446 L451	L54-F84 HydrophobicContact CD2-CE1 3.66Å; L54-F84 HydrophobicContact CD2-CZ 3.78Å; L71-F84 CarbonylContact C-O 3.51Å; L71-F84 VanDerWaalsContact CA-O 3.29Å; L71-F84 WeakPolarHBondContact CA-O 3.38Å; F72-F84 HydrophobicContact CB-CB 4.37Å; F72-F84 HydrophobicContact CD1-CD2 4.39Å; F72-F84 PolarHBondContact N-O 3.28Å; F72-F84 PolarHBondContact O-N 3.01Å; T74-F84 HydrophobicContact CG2-CD2 4.34Å; T74-F84 HydrophobicContact CG2-CE2 3.88Å; T74-F84 WeakPolarHBondContact OG1-CE2 3.22Å; R82-F84 HydrophobicContact CB-CE2 3.68Å; R82-F84 HydrophobicContact CB-CZ 3.84Å; F84-F91 HydrophobicContact CB-CB 3.95Å; F84-F91 HydrophobicContact CB-CD2 3.88Å; F84-F91 HydrophobicContact CB-CG 4.11Å; F84-F91 HydrophobicContact CD1-CB 4.03Å; F84-F91 HydrophobicContact CD2-CD2 4.47Å; F84-F91 HydrophobicContact CG-CB 4.19Å; F84-F91 HydrophobicContact CG-CD2 4.09Å; F84-R92 CarbonylContact C-O 3.53Å; F84-R92 VanDerWaalsContact CA-O 3.25Å; F84-R92 WeakPolarHBondContact CA-O 3.3Å; F84-Y93 HydrophobicContact CD1-CD2 4.39Å; F84-Y93 AromaticContact CE1-CD2 3.86Å; F84-Y93 HydrophobicContact CE1-CD2 3.86Å; F84-Y93 HydrophobicContact CZ-CD2 4.33Å; F84-L446 HydrophobicContact CE1-CD2 4.28Å; F84-L451 HydrophobicContact CE1-CD1 3.88Å; F84-L451 HydrophobicContact CZ-CD1 3.87Å
85	D	91.3	Very high	89	Confident	40 Å²	40	29.4 Å²	29.4	21%	0.214	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.2	160.7	174.2	-0.5	0	0	0	108.3	S87 F91 R92 M94	D85-S87 VanDerWaalsContact OD1-CB 3.25Å; D85-S87 WeakPolarHBondContact OD1-CB 3.23Å; D85-S87 PolarHBondContact OD1-N 2.89Å; D85-S87 PolarHBondContact OD1-OG 2.82Å; D85-S87 PolarHBondContact OD2-OG 3.37Å; D85-F91 WeakPolarHBondContact O-CA 3.27Å; D85-R92 HydrophobicContact CB-CB 4.21Å; D85-R92 PolarHBondContact N-O 3.35Å; D85-R92 PolarHBondContact O-N 3.04Å; D85-M94 HydrophobicContact CB-CG 3.84Å; D85-M94 HydrophobicContact CB-SD 3.96Å
86	S	92	Very high	88.8	Confident	5 Å²	5	32.2 Å²	32.2	4%	0.035	16%	0.164	C	C	.	.			trans	-104.1	6.8	-177.5	48.9	0	0	0	0	114	G69 D70 L71 G88	G69-S86 PolarHBondContact O-OG 2.97Å; D70-S86 PolarHBondContact O-N 3.19Å; D70-S86 PolarHBondContact O-OG 2.96Å; L71-S86 PolarHBondContact N-OG 2.79Å; S86-G88 PolarHBondContact O-N 3.24Å
87	S	86.8	Confident	88.7	Confident	79 Å²	79	32.4 Å²	32.4	55%	0.552	17%	0.165	S	C	*	.	S	Bend	trans	-68.6	-23	176.9	66.5	0	0	0	0	113.4	D85	D85-S87 VanDerWaalsContact OD1-CB 3.25Å; D85-S87 WeakPolarHBondContact OD1-CB 3.23Å; D85-S87 PolarHBondContact OD1-N 2.89Å; D85-S87 PolarHBondContact OD1-OG 2.82Å; D85-S87 PolarHBondContact OD2-OG 3.37Å
88	G	79.3	Confident	88.7	Confident	35 Å²	35	33.1 Å²	33.1	36%	0.361	17%	0.171	S	C	.	.	S	Bend	trans	-89.2	171.3	179.6	0	0	0	0	0	114.1	S86 Y90	S86-G88 PolarHBondContact O-N 3.24Å; G88-Y90 VanDerWaalsContact C-N 3.25Å; G88-Y90 PolarHBondContact O-N 2.88Å
89	H	77.2	Confident	88.6	Confident	88 Å²	88	32.2 Å²	32.2	41%	0.407	17%	0.166	S	C	.	.	S	Bend	trans	-62.1	-34.5	173.4	-177.2	-76.6	0	0	0	112.7	W52	W52-H89 PolarHBondContact NE1-O 3.1Å
90	Y	83.4	Confident	88.3	Confident	75 Å²	75	36.5 Å²	36.5	29%	0.294	19%	0.194	S	C	.	.	S	Bend	trans	-114	147.2	172.1	-59.6	-78.2	0	0	0	108.4	W52 G88 R92 Y453 V455	W52-Y90 HydrophobicContact CB-CD1 4.43Å; W52-Y90 HydrophobicContact CB-CE1 4.3Å; W52-Y90 AromaticContact CD1-CD1 3.41Å; W52-Y90 VanDerWaalsContact CD1-CD1 3.41Å; W52-Y90 AromaticContact CD1-CE1 3.67Å; W52-Y90 AromaticContact CG-CD1 3.96Å; W52-Y90 HydrophobicContact CG-CD1 3.96Å; W52-Y90 HydrophobicContact CG-CE1 4.21Å; W52-Y90 AromaticContact NE1-CD1 3.86Å; G88-Y90 VanDerWaalsContact C-N 3.25Å; G88-Y90 PolarHBondContact O-N 2.88Å; Y90-R92 PolarHBondContact O-N 3.48Å; Y90-Y453 HydrophobicContact CD1-CD1 4.5Å; Y90-Y453 HydrophobicContact CD1-CE1 4.2Å; Y90-V455 HydrophobicContact CE1-CG2 4.28Å
91	F	88.2	Confident	87.9	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.018	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-68.2	122.8	173.4	-79.1	12.6	0	0	0	110.3	W52 Y65 F72 F84 D85 V391 Y453	W52-F91 HydrophobicContact CH2-CB 4.06Å; W52-F91 AromaticContact CH2-CD1 3.78Å; W52-F91 HydrophobicContact CH2-CD1 3.78Å; W52-F91 AromaticContact CH2-CD2 3.57Å; W52-F91 HydrophobicContact CH2-CD2 3.57Å; W52-F91 HydrophobicContact CH2-CE1 4.04Å; W52-F91 AromaticContact CH2-CE2 3.83Å; W52-F91 HydrophobicContact CH2-CE2 3.83Å; W52-F91 AromaticContact CH2-CG 3.53Å; W52-F91 HydrophobicContact CH2-CG 3.53Å; W52-F91 HydrophobicContact CH2-CZ 4.08Å; W52-F91 HydrophobicContact CZ2-CB 4.25Å; W52-F91 AromaticContact CZ2-CD1 3.53Å; W52-F91 HydrophobicContact CZ2-CD1 3.53Å; W52-F91 HydrophobicContact CZ2-CD2 4.22Å; W52-F91 AromaticContact CZ2-CE1 3.83Å; W52-F91 HydrophobicContact CZ2-CE1 3.83Å; W52-F91 HydrophobicContact CZ2-CE2 4.46Å; W52-F91 AromaticContact CZ2-CG 3.74Å; W52-F91 HydrophobicContact CZ2-CG 3.74Å; W52-F91 HydrophobicContact CZ2-CZ 4.3Å; Y65-F91 HydrophobicContact CE1-CE1 4.45Å; Y65-F91 AromaticContact CE1-CZ 3.87Å; Y65-F91 HydrophobicContact CE1-CZ 3.87Å; Y65-F91 AromaticContact CZ-CZ 3.91Å; Y65-F91 WeakPolarHBondContact OH-CZ 3.33Å; F72-F91 HydrophobicContact CB-CD2 4.17Å; F72-F91 HydrophobicContact CB-CE2 3.54Å; F72-F91 HydrophobicContact CB-CZ 3.93Å; F72-F91 HydrophobicContact CD1-CD2 4.13Å; F72-F91 AromaticContact CD1-CE2 3.44Å; F72-F91 HydrophobicContact CD1-CE2 3.44Å; F72-F91 VanDerWaalsContact CD1-CE2 3.44Å; F72-F91 HydrophobicContact CD1-CZ 4.38Å; F72-F91 HydrophobicContact CD2-CE2 4.25Å; F72-F91 HydrophobicContact CD2-CZ 4.45Å; F72-F91 HydrophobicContact CE1-CE2 4.14Å; F72-F91 HydrophobicContact CG-CD2 4.38Å; F72-F91 AromaticContact CG-CE2 3.48Å; F72-F91 HydrophobicContact CG-CE2 3.48Å; F72-F91 VanDerWaalsContact CG-CE2 3.48Å; F72-F91 HydrophobicContact CG-CZ 4.02Å; F84-F91 HydrophobicContact CB-CB 3.95Å; F84-F91 HydrophobicContact CB-CD2 3.88Å; F84-F91 HydrophobicContact CB-CG 4.11Å; F84-F91 HydrophobicContact CD1-CB 4.03Å; F84-F91 HydrophobicContact CD2-CD2 4.47Å; F84-F91 HydrophobicContact CG-CB 4.19Å; F84-F91 HydrophobicContact CG-CD2 4.09Å; D85-F91 WeakPolarHBondContact O-CA 3.27Å; F91-V391 HydrophobicContact CE2-CG2 4.11Å; F91-V391 HydrophobicContact CZ-CG2 3.8Å; F91-Y453 WeakPolarHBondContact CA-OH 3.29Å; F91-Y453 WeakPolarHBondContact CB-OH 3.45Å; F91-Y453 PolarHBondContact N-OH 2.86Å; F91-Y453 PolarHBondContact O-OH 2.91Å
92	R	84.9	Confident	87.5	Confident	89 Å²	89	43.7 Å²	43.7	34%	0.336	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.1	173.4	178.7	-177.8	-174.5	157.4	4.4	108.2	F84 D85 Y90 M94 E438 E442	F84-R92 CarbonylContact C-O 3.53Å; F84-R92 VanDerWaalsContact CA-O 3.25Å; F84-R92 WeakPolarHBondContact CA-O 3.3Å; D85-R92 HydrophobicContact CB-CB 4.21Å; D85-R92 PolarHBondContact N-O 3.35Å; D85-R92 PolarHBondContact O-N 3.04Å; Y90-R92 PolarHBondContact O-N 3.48Å; R92-M94 HydrophobicContact CG-SD 4.48Å; R92-M94 PolarHBondContact O-N 2.75Å; R92-E438 IonicContact CZ-OE1 3.72Å; R92-E438 IonicContact NH1-OE1 3.87Å; R92-E438 PolarHBondContact NH1-OE1 2.93Å; R92-E438 IonicContact NH2-OE1 3.42Å; R92-E438 PolarHBondContact NH2-OE1 2.97Å; R92-E442 WeakPolarHBondContact CG-OE2 3.37Å; R92-E442 VanDerWaalsContact CZ-CD 3.44Å; R92-E442 IonicContact CZ-OE1 3.47Å; R92-E442 IonicContact CZ-OE2 2.72Å; R92-E442 IonicContact NE-OE1 2.81Å; R92-E442 IonicContact NE-OE2 3.97Å; R92-E442 PolarHBondContact NE-OE2 3.36Å; R92-E442 IonicContact NH2-OE1 2.91Å; R92-E442 PolarHBondContact NH2-OE1 2.93Å; R92-E442 IonicContact NH2-OE2 3.49Å
93	Y	88.5	Confident	87.2	Confident	21 Å²	21	45 Å²	45	8%	0.082	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	123.8	175	175.5	-97	0	0	0	110.1	R82 F84 E96 K445 L446 A449 L451	R82-Y93 HydrophobicContact CB-CE2 4.17Å; R82-Y93 HydrophobicContact CG-CE2 4.17Å; F84-Y93 HydrophobicContact CD1-CD2 4.39Å; F84-Y93 AromaticContact CE1-CD2 3.86Å; F84-Y93 HydrophobicContact CE1-CD2 3.86Å; F84-Y93 HydrophobicContact CZ-CD2 4.33Å; Y93-E96 WeakPolarHBondContact OH-CB 3.14Å; Y93-E96 PolarHBondContact OH-OE2 2.8Å; Y93-K445 HydrophobicContact CD1-CB 4.25Å; Y93-L446 VanDerWaalsContact CB-CD2 3.42Å; Y93-L446 HydrophobicContact CG-CD2 4.27Å; Y93-A449 HydrophobicContact CD2-CB 4.47Å; Y93-A449 HydrophobicContact CE1-CB 4.08Å; Y93-A449 HydrophobicContact CE2-CB 3.92Å; Y93-L451 HydrophobicContact CD2-CD1 3.77Å; Y93-L451 HydrophobicContact CE2-CD1 4.19Å; Y93-L451 HydrophobicContact CG-CD1 4.5Å
94	M	86.7	Confident	86.9	Confident	53 Å²	53	49 Å²	49	26%	0.261	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-63.1	-177	-65.4	-68.3	-71.9	0	0	110.4	V83 D85 R92 R136	V83-M94 WeakPolarHBondContact O-CB 3.26Å; V83-M94 PolarHBondContact O-N 3.27Å; D85-M94 HydrophobicContact CB-CG 3.84Å; D85-M94 HydrophobicContact CB-SD 3.96Å; R92-M94 HydrophobicContact CG-SD 4.48Å; R92-M94 PolarHBondContact O-N 2.75Å; M94-R136 HydrophobicContact CE-CG 3.82Å
95	N	87.4	Confident	86.8	Confident	16 Å²	16	49 Å²	49	9%	0.086	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	172.7	-174.6	-161.5	12.8	0	0	0	112.3	V83 N137 E138	V83-N95 PolarHBondContact N-O 3.48Å; V83-N95 PolarHBondContact O-N 3.41Å; N95-N137 PolarHBondContact ND2-O 2.9Å; N95-E138 VanDerWaalsContact ND2-C 3.3Å; N95-E138 PolarHBondContact ND2-O 3.14Å; N95-E138 PolarHBondContact OD1-O 3.36Å
96	E	89.7	Confident	87	Confident	58 Å²	58	47.1 Å²	47.1	27%	0.271	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.6	171.8	60.2	-171.1	-166	0	0	111.7	F80 I81 Y93	F80-E96 HydrophobicContact CD1-CB 4.09Å; F80-E96 HydrophobicContact CD1-CG 4.14Å; F80-E96 HydrophobicContact CE1-CG 4.43Å; I81-E96 CarbonylContact O-C 3.57Å; I81-E96 VanDerWaalsContact O-CA 3.31Å; I81-E96 WeakPolarHBondContact O-CA 3.21Å; Y93-E96 WeakPolarHBondContact OH-CB 3.14Å; Y93-E96 PolarHBondContact OH-OE2 2.8Å
97	I	91.2	Very high	87.1	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.8	172.4	-57.6	152.2	0	0	0	106.6	F80 I81 V83 L118 F120 T130 L140 L142	F80-I97 WeakPolarHBondContact CA-O 3.2Å; I81-I97 HydrophobicContact CB-CB 4.22Å; I81-I97 HydrophobicContact CB-CD1 4.38Å; I81-I97 HydrophobicContact CG2-CD1 4.32Å; I81-I97 PolarHBondContact N-O 3.14Å; I81-I97 PolarHBondContact O-N 3.27Å; V83-I97 HydrophobicContact CG2-CD1 3.98Å; V83-I97 HydrophobicContact CG2-CG1 4.45Å; I97-L118 HydrophobicContact CD1-CD2 3.83Å; I97-F120 HydrophobicContact CG2-CE1 3.95Å; I97-F120 HydrophobicContact CG2-CZ 3.93Å; I97-T130 HydrophobicContact CD1-CG2 3.7Å; I97-T130 HydrophobicContact CG1-CG2 4.32Å; I97-T130 HydrophobicContact CG2-CG2 4.35Å; I97-L140 HydrophobicContact CD1-CD1 3.91Å; I97-L140 HydrophobicContact CG1-CB 4.29Å; I97-L140 HydrophobicContact CG1-CD1 3.43Å; I97-L140 VanDerWaalsContact CG1-CD1 3.43Å; I97-L140 HydrophobicContact CG1-CG 4.49Å; I97-L142 HydrophobicContact CG2-CD1 4.03Å
98	N	90.3	Very high	87.6	Confident	76 Å²	76	43.6 Å²	43.6	41%	0.406	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.3	-179.5	-176.2	16.5	0	0	0	111.1	F80 P100 L142	F80-N98 HydrophobicContact CD1-CB 3.87Å; F80-N98 HydrophobicContact CE1-CB 3.58Å; F80-N98 HydrophobicContact CZ-CB 4.4Å; N98-P100 WeakPolarHBondContact O-CD 3.49Å; N98-L142 WeakPolarHBondContact O-CD2 3.5Å
99	A	88.3	Confident	88.4	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.008	20%	0.201	C	C	.	.			trans	-90	110.6	168.4	0	0	0	0	0	109.7	G79 E101 Y102 I106 F120 Y128	G79-A99 WeakPolarHBondContact O-CB 3.27Å; G79-A99 PolarHBondContact O-N 3.36Å; A99-E101 PolarHBondContact O-N 2.92Å; A99-Y102 HydrophobicContact CB-CD1 4.41Å; A99-Y102 HydrophobicContact CB-CG 4.5Å; A99-Y102 VanDerWaalsContact O-CD1 3.27Å; A99-Y102 WeakPolarHBondContact O-CD1 3.29Å; A99-I106 HydrophobicContact CB-CD1 4.26Å; A99-F120 HydrophobicContact CB-CE2 3.88Å; A99-Y128 HydrophobicContact CB-CD2 4.19Å; A99-Y128 HydrophobicContact CB-CE2 4.01Å
100	P	84.7	Confident	89.3	Confident	89 Å²	89	38.7 Å²	38.7	58%	0.578	19%	0.185	S	C	*	.	S	Bend	trans	-65.9	-39.2	-174.3	-22.8	34	0	0	0	114	N98 L142	N98-P100 WeakPolarHBondContact O-CD 3.49Å; P100-L142 HydrophobicContact CG-CD2 4.28Å
101	E	82.9	Confident	89.8	Confident	137 Å²	137	36.1 Å²	36.1	64%	0.64	18%	0.177	S	C	*	.	S	Bend	trans	-123.3	75.1	-175.7	-63.3	177.4	-158.7	0	0	109.5	A99 I126 Y128	A99-E101 PolarHBondContact O-N 2.92Å; E101-I126 HydrophobicContact CB-CD1 4.12Å; E101-Y128 WeakPolarHBondContact CA-OH 3.5Å; E101-Y128 WeakPolarHBondContact CB-OH 3.47Å; E101-Y128 PolarHBondContact N-OH 2.74Å; E101-Y128 PolarHBondContact O-OH 2.87Å
102	Y	85.8	Confident	90	Very high	33 Å²	33	36.1 Å²	36.1	13%	0.129	18%	0.177	C	C	.	.			trans	-109.2	160.7	175.5	78.9	-79.8	0	0	0	111.4	Q77 D78 A99 S122	Q77-Y102 WeakPolarHBondContact O-CE2 3.25Å; D78-Y102 WeakPolarHBondContact CA-OH 3.39Å; D78-Y102 PolarHBondContact O-OH 3.16Å; A99-Y102 HydrophobicContact CB-CD1 4.41Å; A99-Y102 HydrophobicContact CB-CG 4.5Å; A99-Y102 VanDerWaalsContact O-CD1 3.27Å; A99-Y102 WeakPolarHBondContact O-CD1 3.29Å; Y102-S122 WeakPolarHBondContact CA-OG 3.46Å
103	T	86.7	Confident	90	Very high	40 Å²	40	34.4 Å²	34.4	25%	0.245	18%	0.175	C	C	.	.			trans	-125.1	131.6	174.7	52.2	0	0	0	0	110.1	S105 S122 L123 S124	T103-S105 PolarHBondContact O-N 2.94Å; T103-S122 PolarHBondContact N-OG 3.01Å; T103-S122 VanDerWaalsContact N-OG 3.13Å; T103-L123 PolarHBondContact O-N 3.16Å; T103-L123 WeakPolarHBondContact OG1-CA 3.04Å; T103-L123 WeakPolarHBondContact OG1-CB 3.37Å; T103-L123 PolarHBondContact OG1-N 3.22Å; T103-L123 PolarHBondContact OG1-O 3.45Å; T103-S124 PolarHBondContact OG1-N 2.82Å
104	W	86.7	Confident	89.8	Confident	84 Å²	84	39 Å²	39	32%	0.318	20%	0.2	S	C	.	.	S	Bend	trans	60.6	-63.8	179.5	-179.3	61.9	0	0	0	116.3	Y61 Q77 V107 L123	Y61-W104 HydrophobicContact CD1-CH2 4.4Å; Y61-W104 AromaticContact CE1-CH2 3.75Å; Y61-W104 HydrophobicContact CE1-CH2 3.75Å; Y61-W104 HydrophobicContact CE1-CZ2 4Å; Y61-W104 HydrophobicContact CE2-CZ2 4.5Å; Y61-W104 AromaticContact CZ-CH2 3.93Å; Y61-W104 AromaticContact CZ-CZ2 3.74Å; Y61-W104 WeakPolarHBondContact OH-CZ2 3.49Å; Q77-W104 WeakPolarHBondContact CG-O 3.47Å; Q77-W104 VanDerWaalsContact O-O 3.14Å; W104-V107 HydrophobicContact CE3-CG1 3.73Å; W104-V107 HydrophobicContact CZ3-CG1 3.54Å; W104-L123 HydrophobicContact CB-CD1 4.16Å; W104-L123 HydrophobicContact CD2-CD1 4.03Å; W104-L123 HydrophobicContact CE3-CD1 3.37Å; W104-L123 HydrophobicContact CE3-CG 3.91Å; W104-L123 HydrophobicContact CG-CD1 4.38Å; W104-L123 HydrophobicContact CZ3-CD1 4.06Å
105	S	91.6	Very high	89.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.			trans	-164.4	160	179.2	-178.3	0	0	0	0	110.5	Y61 S76 Q77 T103 V107 S122	Y61-S105 WeakPolarHBondContact CD2-OG 3.41Å; S76-S105 PolarHBondContact O-OG 3.11Å; Q77-S105 WeakPolarHBondContact CA-OG 3.26Å; T103-S105 PolarHBondContact O-N 2.94Å; S105-V107 WeakPolarHBondContact O-CG1 3.36Å; S105-V107 PolarHBondContact O-N 3.48Å; S105-S122 VanDerWaalsContact O-CA 3.29Å; S105-S122 WeakPolarHBondContact O-CA 3.39Å; S105-S122 VanDerWaalsContact O-CB 3.25Å; S105-S122 WeakPolarHBondContact O-CB 3.46Å
106	I	94.6	Very high	89.8	Confident	1 Å²	1	39 Å²	39	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	109.8	163.5	-60.3	174.9	0	0	0	108.6	A75 S76 G79 I81 A99 F120 C121	A75-I106 HydrophobicContact CB-CB 3.83Å; A75-I106 HydrophobicContact CB-CG2 3.52Å; S76-I106 PolarHBondContact O-N 3.45Å; G79-I106 WeakPolarHBondContact O-CD1 3.37Å; I81-I106 HydrophobicContact CD1-CD1 4.15Å; I81-I106 HydrophobicContact CD1-CG2 4.35Å; I81-I106 HydrophobicContact CG1-CD1 3.62Å; I81-I106 HydrophobicContact CG1-CG2 4.45Å; A99-I106 HydrophobicContact CB-CD1 4.26Å; I106-F120 HydrophobicContact CD1-CD2 3.92Å; I106-F120 HydrophobicContact CD1-CE2 3.92Å; I106-F120 HydrophobicContact CG1-CD2 4.3Å; I106-F120 HydrophobicContact CG2-CB 4.02Å; I106-F120 HydrophobicContact CG2-CD2 3.97Å; I106-F120 HydrophobicContact CG2-CG 4.4Å; I106-C121 CarbonylContact C-O 3.59Å; I106-C121 WeakPolarHBondContact CA-O 3.5Å
107	V	95.1	Very high	89.9	Confident	9 Å²	9	37.2 Å²	37.2	6%	0.055	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-20.1	-168	-63.7	0	0	0	0	114	C62 W104 S105 C121 L123 R334	C62-V107 VanDerWaalsContact SG-C 3.56Å; C62-V107 PolarHBondContact SG-O 2.87Å; W104-V107 HydrophobicContact CE3-CG1 3.73Å; W104-V107 HydrophobicContact CZ3-CG1 3.54Å; S105-V107 WeakPolarHBondContact O-CG1 3.36Å; S105-V107 PolarHBondContact O-N 3.48Å; V107-C121 PolarHBondContact N-O 3.25Å; V107-L123 HydrophobicContact CG1-CD2 4.06Å; V107-L123 HydrophobicContact CG1-CG 4.03Å; V107-L123 HydrophobicContact CG2-CD2 4.27Å; V107-R334 PolarHBondContact O-NH2 3.05Å
108	S	96.9	Very high	90	Very high	2 Å²	2	37 Å²	37	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	151.1	176.6	-163.1	0	0	0	0	112.1	F120 C121 V160 R334	S108-F120 CarbonylContact O-C 3.5Å; S108-F120 VanDerWaalsContact O-CA 3.24Å; S108-F120 WeakPolarHBondContact O-CA 3.35Å; S108-F120 WeakPolarHBondContact O-CB 3.11Å; S108-C121 PolarHBondContact O-N 2.93Å; S108-V160 PolarHBondContact OG-N 3.03Å; S108-V160 PolarHBondContact OG-O 2.92Å; S108-R334 PolarHBondContact OG-NH2 2.84Å
109	L	96.3	Very high	90.3	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	150.3	177.6	61.4	90.9	0	0	0	108.3	C62 I64 A75 L118 V119 F120	C62-L109 HydrophobicContact CB-CD2 3.31Å; C62-L109 HydrophobicContact CB-CG 3.91Å; I64-L109 HydrophobicContact CB-CD1 3.69Å; I64-L109 HydrophobicContact CD1-CD1 4.18Å; I64-L109 HydrophobicContact CG2-CD1 3.02Å; I64-L109 HydrophobicContact CG2-CG 4.38Å; A75-L109 HydrophobicContact CB-CD2 3.56Å; L109-L118 HydrophobicContact CB-CD1 4.36Å; L109-L118 HydrophobicContact CD1-CD1 4.4Å; L109-V119 CarbonylContact C-O 3.56Å; L109-V119 WeakPolarHBondContact CA-O 3.36Å; L109-F120 HydrophobicContact CB-CB 3.91Å
110	S	95.5	Very high	90.7	Very high	12 Å²	12	33.3 Å²	33.3	8%	0.084	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	148.9	174.5	-175.8	0	0	0	0	109.8	V119 D161	S110-V119 PolarHBondContact N-O 2.93Å; S110-V119 PolarHBondContact O-N 3.4Å; S110-D161 WeakPolarHBondContact CB-OD1 3.33Å; S110-D161 PolarHBondContact OG-OD1 2.94Å
111	L	94	Very high	91.1	Very high	21 Å²	21	29 Å²	29	11%	0.11	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	143.8	179	-75	167.1	0	0	0	109.4	I64 N66 F73 L118 L132 F162	I64-L111 HydrophobicContact CD1-CD1 4.38Å; I64-L111 HydrophobicContact CG1-CD1 4.39Å; I64-L111 HydrophobicContact CG2-CD1 4.34Å; N66-L111 HydrophobicContact CB-CD1 3.97Å; F73-L111 HydrophobicContact CD2-CD1 4.18Å; F73-L111 HydrophobicContact CE2-CD1 4.08Å; F73-L111 HydrophobicContact CE2-CD2 4.23Å; F73-L111 HydrophobicContact CZ-CD2 4.49Å; L111-L118 HydrophobicContact CD2-CB 3.91Å; L111-L118 HydrophobicContact CD2-CD1 3.55Å; L111-L118 HydrophobicContact CD2-CG 4.32Å; L111-L118 HydrophobicContact CG-CD1 3.91Å; L111-L132 HydrophobicContact CD2-CD1 3.49Å; L111-L132 VanDerWaalsContact CD2-CD1 3.49Å; L111-F162 VanDerWaalsContact C-CE2 3.47Å; L111-F162 WeakPolarHBondContact O-CD2 3.28Å
112	S	91.9	Very high	91.6	Very high	5 Å²	5	22.6 Å²	22.6	4%	0.035	12%	0.12	C	C	.	.			trans	-61.4	159.2	172.8	70.8	0	0	0	0	110.7	L114 G115 D116 T117	S112-L114 PolarHBondContact O-N 3Å; S112-G115 PolarHBondContact O-N 3.39Å; S112-G115 PolarHBondContact OG-N 3.31Å; S112-G115 VanDerWaalsContact OG-N 3.15Å; S112-D116 WeakPolarHBondContact CB-OD1 3.49Å; S112-D116 PolarHBondContact OG-N 3.15Å; S112-D116 VanDerWaalsContact OG-N 3.14Å; S112-D116 PolarHBondContact OG-OD1 3.41Å; S112-T117 PolarHBondContact N-O 3.01Å; S112-T117 PolarHBondContact OG-N 2.92Å
113	N	85.9	Confident	91.9	Very high	52 Å²	52	21.7 Å²	21.7	28%	0.278	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31	178	-76.6	-39.5	0	0	0	112.9	G115 R210	N113-G115 VanDerWaalsContact C-N 3.31Å; N113-R210 PolarHBondContact ND2-O 3.32Å; N113-R210 VanDerWaalsContact ND2-O 3.08Å
114	L	84.3	Confident	92	Very high	118 Å²	118	20.1 Å²	20.1	62%	0.618	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.5	174.5	-64	-179.3	0	0	0	113.1	S112 D116 N167	S112-L114 PolarHBondContact O-N 3Å; L114-D116 HydrophobicContact CB-CB 4.39Å; L114-D116 PolarHBondContact O-N 2.72Å; L114-N167 WeakPolarHBondContact CD1-ND2 3.3Å; L114-N167 VanDerWaalsContact CG-ND2 3.31Å; L114-N167 WeakPolarHBondContact CG-ND2 3.3Å
115	G	85.1	Confident	92	Very high	19 Å²	19	17.7 Å²	17.7	20%	0.196	10%	0.103	C	C	.	.	S	Bend	trans	70.8	13.3	-174.8	0	0	0	0	0	113.9	S112 N113	S112-G115 PolarHBondContact O-N 3.39Å; S112-G115 PolarHBondContact OG-N 3.31Å; S112-G115 VanDerWaalsContact OG-N 3.15Å; N113-G115 VanDerWaalsContact C-N 3.31Å
116	D	87.9	Confident	91.9	Very high	51 Å²	51	18.4 Å²	18.4	27%	0.273	11%	0.107	S	C	.	.	S	Bend	trans	-88.7	-18.3	-178.2	66.7	-13.9	0	0	0	113.4	S112 L114 N131 L132	S112-D116 WeakPolarHBondContact CB-OD1 3.49Å; S112-D116 PolarHBondContact OG-N 3.15Å; S112-D116 VanDerWaalsContact OG-N 3.14Å; S112-D116 PolarHBondContact OG-OD1 3.41Å; L114-D116 HydrophobicContact CB-CB 4.39Å; L114-D116 PolarHBondContact O-N 2.72Å; D116-N131 CarbonylContact O-C 3.58Å; D116-N131 WeakPolarHBondContact O-CA 3.27Å; D116-N131 PolarHBondContact O-OD1 2.82Å; D116-L132 PolarHBondContact O-N 2.61Å
117	T	91.9	Very high	91.8	Very high	19 Å²	19	18.4 Å²	18.4	12%	0.117	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131	-176.1	-51.7	0	0	0	0	109.5	S112 F129 T130 F162	S112-T117 PolarHBondContact N-O 3.01Å; S112-T117 PolarHBondContact OG-N 2.92Å; T117-F129 HydrophobicContact CG2-CB 4.35Å; T117-F129 HydrophobicContact CG2-CD2 4.41Å; T117-T130 WeakPolarHBondContact CA-O 3.48Å; T117-F162 HydrophobicContact CG2-CZ 3.98Å
118	L	94.3	Very high	91.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.6	170.2	178.1	71.3	0	0	0	108.4	F73 I81 I97 L109 L111 F120 F129 T130 L132	F73-L118 HydrophobicContact CD1-CD2 3.9Å; F73-L118 HydrophobicContact CE1-CD2 4.27Å; I81-L118 HydrophobicContact CD1-CD2 4.01Å; I81-L118 HydrophobicContact CG2-CD2 4.17Å; I97-L118 HydrophobicContact CD1-CD2 3.83Å; L109-L118 HydrophobicContact CB-CD1 4.36Å; L109-L118 HydrophobicContact CD1-CD1 4.4Å; L111-L118 HydrophobicContact CD2-CB 3.91Å; L111-L118 HydrophobicContact CD2-CD1 3.55Å; L111-L118 HydrophobicContact CD2-CG 4.32Å; L111-L118 HydrophobicContact CG-CD1 3.91Å; L118-F120 HydrophobicContact CD2-CD1 4.45Å; L118-F120 HydrophobicContact CG-CD1 4.41Å; L118-F129 CarbonylContact O-C 3.11Å; L118-F129 WeakPolarHBondContact O-CA 3.35Å; L118-T130 HydrophobicContact CB-CG2 4.04Å; L118-T130 HydrophobicContact CD2-CG2 4.38Å; L118-T130 PolarHBondContact N-O 3.22Å; L118-T130 PolarHBondContact O-N 3.43Å; L118-L132 HydrophobicContact CB-CD1 3.94Å; L118-L132 HydrophobicContact CB-CD2 4.25Å; L118-L132 HydrophobicContact CB-CG 4.17Å
119	V	95.4	Very high	91.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.8	168.8	71.6	0	0	0	0	109.1	L109 S110 Y128 F129 V160 F162 V170	L109-V119 CarbonylContact C-O 3.56Å; L109-V119 WeakPolarHBondContact CA-O 3.36Å; S110-V119 PolarHBondContact N-O 2.93Å; S110-V119 PolarHBondContact O-N 3.4Å; V119-Y128 CarbonylContact C-O 3.53Å; V119-Y128 WeakPolarHBondContact CA-O 3.44Å; V119-Y128 WeakPolarHBondContact CG2-O 3.42Å; V119-F129 HydrophobicContact CB-CB 4.43Å; V119-F129 HydrophobicContact CG2-CB 4.34Å; V119-V160 HydrophobicContact CG1-CG1 4.14Å; V119-V160 HydrophobicContact CG1-CG2 3.82Å; V119-V160 HydrophobicContact CG2-CG2 3.86Å; V119-F162 HydrophobicContact CB-CE2 3.94Å; V119-F162 HydrophobicContact CB-CZ 4.15Å; V119-F162 HydrophobicContact CG1-CD2 3.89Å; V119-F162 HydrophobicContact CG1-CE2 3.49Å; V119-F162 VanDerWaalsContact CG1-CE2 3.49Å; V119-F162 HydrophobicContact CG1-CZ 4.11Å; V119-V170 HydrophobicContact CB-CG1 4.28Å; V119-V170 HydrophobicContact CG1-CG1 4.03Å; V119-V170 HydrophobicContact CG2-CG1 4.2Å
120	F	96.3	Very high	91.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	158.7	176.6	61.8	-88.7	0	0	0	111.6	I81 I97 A99 I106 S108 L109 L118 Y128 L142	I81-F120 HydrophobicContact CD1-CB 3.68Å; I81-F120 HydrophobicContact CD1-CD1 3.33Å; I81-F120 HydrophobicContact CD1-CD2 3.69Å; I81-F120 HydrophobicContact CD1-CE1 3.73Å; I81-F120 HydrophobicContact CD1-CE2 4.06Å; I81-F120 HydrophobicContact CD1-CG 3.28Å; I81-F120 HydrophobicContact CD1-CZ 4.06Å; I97-F120 HydrophobicContact CG2-CE1 3.95Å; I97-F120 HydrophobicContact CG2-CZ 3.93Å; A99-F120 HydrophobicContact CB-CE2 3.88Å; I106-F120 HydrophobicContact CD1-CD2 3.92Å; I106-F120 HydrophobicContact CD1-CE2 3.92Å; I106-F120 HydrophobicContact CG1-CD2 4.3Å; I106-F120 HydrophobicContact CG2-CB 4.02Å; I106-F120 HydrophobicContact CG2-CD2 3.97Å; I106-F120 HydrophobicContact CG2-CG 4.4Å; S108-F120 CarbonylContact O-C 3.5Å; S108-F120 VanDerWaalsContact O-CA 3.24Å; S108-F120 WeakPolarHBondContact O-CA 3.35Å; S108-F120 WeakPolarHBondContact O-CB 3.11Å; L109-F120 HydrophobicContact CB-CB 3.91Å; L118-F120 HydrophobicContact CD2-CD1 4.45Å; L118-F120 HydrophobicContact CG-CD1 4.41Å; F120-Y128 HydrophobicContact CD2-CD2 4.33Å; F120-Y128 HydrophobicContact CD2-CG 4.43Å; F120-Y128 AromaticContact CE2-CD2 3.79Å; F120-Y128 HydrophobicContact CE2-CD2 3.79Å; F120-Y128 AromaticContact CE2-CG 3.72Å; F120-Y128 HydrophobicContact CE2-CG 3.72Å; F120-Y128 HydrophobicContact CZ-CD2 4.41Å; F120-Y128 AromaticContact CZ-CG 3.89Å; F120-Y128 HydrophobicContact CZ-CG 3.89Å; F120-Y128 PolarHBondContact N-O 3.42Å; F120-Y128 PolarHBondContact O-N 2.67Å; F120-L142 HydrophobicContact CE1-CD1 3.94Å; F120-L142 HydrophobicContact CZ-CD1 3.75Å
121	C	94.9	Very high	91.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152	-180	70.7	0	0	0	0	111.4	I106 V107 S108 L127 T157 V160	I106-C121 CarbonylContact C-O 3.59Å; I106-C121 WeakPolarHBondContact CA-O 3.5Å; V107-C121 PolarHBondContact N-O 3.25Å; S108-C121 PolarHBondContact O-N 2.93Å; C121-L127 HydrophobicContact CB-CD2 3.68Å; C121-T157 HydrophobicContact CB-CG2 3.79Å; C121-V160 HydrophobicContact CB-CB 4.44Å; C121-V160 HydrophobicContact CB-CG1 4.25Å
122	S	93.4	Very high	90.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-172.7	164.1	78.1	0	0	0	0	109.3	Y102 T103 S105 S124	Y102-S122 WeakPolarHBondContact CA-OG 3.46Å; T103-S122 PolarHBondContact N-OG 3.01Å; T103-S122 VanDerWaalsContact N-OG 3.13Å; S105-S122 VanDerWaalsContact O-CA 3.29Å; S105-S122 WeakPolarHBondContact O-CA 3.39Å; S105-S122 VanDerWaalsContact O-CB 3.25Å; S105-S122 WeakPolarHBondContact O-CB 3.46Å; S122-S124 PolarHBondContact O-N 2.82Å; S122-S124 WeakPolarHBondContact OG-CB 3.3Å; S122-S124 PolarHBondContact OG-OG 2.98Å
123	L	91.5	Very high	90.3	Very high	15 Å²	15	27 Å²	27	8%	0.079	15%	0.154	C	C	.	.	S	Bend	trans	-73.5	37.2	173.3	-64.7	-176.8	0	0	0	113.2	T103 W104 V107 K156 F158 F526	T103-L123 PolarHBondContact O-N 3.16Å; T103-L123 WeakPolarHBondContact OG1-CA 3.04Å; T103-L123 WeakPolarHBondContact OG1-CB 3.37Å; T103-L123 PolarHBondContact OG1-N 3.22Å; T103-L123 PolarHBondContact OG1-O 3.45Å; W104-L123 HydrophobicContact CB-CD1 4.16Å; W104-L123 HydrophobicContact CD2-CD1 4.03Å; W104-L123 HydrophobicContact CE3-CD1 3.37Å; W104-L123 HydrophobicContact CE3-CG 3.91Å; W104-L123 HydrophobicContact CG-CD1 4.38Å; W104-L123 HydrophobicContact CZ3-CD1 4.06Å; V107-L123 HydrophobicContact CG1-CD2 4.06Å; V107-L123 HydrophobicContact CG1-CG 4.03Å; V107-L123 HydrophobicContact CG2-CD2 4.27Å; L123-K156 WeakPolarHBondContact O-CG 3.32Å; L123-F158 HydrophobicContact CD2-CD1 3.55Å; L123-F158 HydrophobicContact CD2-CE1 3.67Å; L123-F526 HydrophobicContact CD1-CZ 4.44Å
124	S	89	Confident	89.9	Confident	6 Å²	6	27.7 Å²	27.7	4%	0.042	16%	0.158	C	C	.	.	S	Bend	trans	-118.5	166.1	-178.8	72.7	0	0	0	0	110.3	T103 S122 I126 T155 T157	T103-S124 PolarHBondContact OG1-N 2.82Å; S122-S124 PolarHBondContact O-N 2.82Å; S122-S124 WeakPolarHBondContact OG-CB 3.3Å; S122-S124 PolarHBondContact OG-OG 2.98Å; S124-I126 PolarHBondContact O-N 3.49Å; S124-I126 PolarHBondContact OG-N 3.03Å; S124-I126 PolarHBondContact OG-O 2.84Å; S124-T155 CarbonylContact C-O 3.58Å; S124-T157 WeakPolarHBondContact O-CB 3.26Å; S124-T157 PolarHBondContact O-N 2.89Å; S124-T157 PolarHBondContact O-OG1 3.36Å
125	P	86.1	Confident	89.5	Confident	33 Å²	33	22.8 Å²	22.8	21%	0.214	13%	0.132	C	C	.	.	S	Bend	trans	-74.2	-8.9	172.9	29.1	-33.4	0	0	0	113	L147 T155	P125-L147 HydrophobicContact CB-CB 4.32Å; P125-L147 WeakPolarHBondContact O-CG 3.36Å; P125-T155 HydrophobicContact CB-CG2 4.41Å; P125-T155 VanDerWaalsContact CD-O 3.25Å; P125-T155 WeakPolarHBondContact CD-O 3.47Å
126	I	89.7	Confident	88.7	Confident	16 Å²	16	31.7 Å²	31.7	8%	0.082	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-86.3	126.4	-174.9	-56.2	175.9	0	0	0	108.9	E101 S124 Y128 H144 T145	E101-I126 HydrophobicContact CB-CD1 4.12Å; S124-I126 PolarHBondContact O-N 3.49Å; S124-I126 PolarHBondContact OG-N 3.03Å; S124-I126 PolarHBondContact OG-O 2.84Å; I126-Y128 HydrophobicContact CB-CE2 4.35Å; I126-Y128 HydrophobicContact CG2-CD2 4.24Å; I126-Y128 HydrophobicContact CG2-CE1 4.09Å; I126-Y128 HydrophobicContact CG2-CE2 3.81Å; I126-H144 HydrophobicContact CG2-CB 3.64Å; I126-T145 WeakPolarHBondContact CA-O 3.22Å
127	L	92.4	Very high	87.4	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.4	165.9	-48.3	173.6	0	0	0	108.9	C121 H144 T145 T157 V160 V170	C121-L127 HydrophobicContact CB-CD2 3.68Å; L127-H144 CarbonylContact O-C 3.56Å; L127-H144 VanDerWaalsContact O-CA 3.24Å; L127-H144 WeakPolarHBondContact O-CA 3.41Å; L127-T145 HydrophobicContact CB-CG2 3.61Å; L127-T145 HydrophobicContact CD1-CG2 4.21Å; L127-T145 HydrophobicContact CG-CG2 4.21Å; L127-T145 PolarHBondContact N-O 2.92Å; L127-T145 VanDerWaalsContact N-O 3.1Å; L127-T145 PolarHBondContact O-N 3.03Å; L127-T157 HydrophobicContact CD2-CG2 3.82Å; L127-V160 HydrophobicContact CD2-CG2 4.47Å; L127-V170 HydrophobicContact CD1-CG2 4.09Å
128	Y	93.8	Very high	86.1	Confident	5 Å²	5	40.3 Å²	40.3	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144	176.7	-73.1	-74.7	0	0	0	110.1	A99 E101 V119 F120 I126 L142 K143 H144	A99-Y128 HydrophobicContact CB-CD2 4.19Å; A99-Y128 HydrophobicContact CB-CE2 4.01Å; E101-Y128 WeakPolarHBondContact CA-OH 3.5Å; E101-Y128 WeakPolarHBondContact CB-OH 3.47Å; E101-Y128 PolarHBondContact N-OH 2.74Å; E101-Y128 PolarHBondContact O-OH 2.87Å; V119-Y128 CarbonylContact C-O 3.53Å; V119-Y128 WeakPolarHBondContact CA-O 3.44Å; V119-Y128 WeakPolarHBondContact CG2-O 3.42Å; F120-Y128 HydrophobicContact CD2-CD2 4.33Å; F120-Y128 HydrophobicContact CD2-CG 4.43Å; F120-Y128 AromaticContact CE2-CD2 3.79Å; F120-Y128 HydrophobicContact CE2-CD2 3.79Å; F120-Y128 AromaticContact CE2-CG 3.72Å; F120-Y128 HydrophobicContact CE2-CG 3.72Å; F120-Y128 HydrophobicContact CZ-CD2 4.41Å; F120-Y128 AromaticContact CZ-CG 3.89Å; F120-Y128 HydrophobicContact CZ-CG 3.89Å; F120-Y128 PolarHBondContact N-O 3.42Å; F120-Y128 PolarHBondContact O-N 2.67Å; I126-Y128 HydrophobicContact CB-CE2 4.35Å; I126-Y128 HydrophobicContact CG2-CD2 4.24Å; I126-Y128 HydrophobicContact CG2-CE1 4.09Å; I126-Y128 HydrophobicContact CG2-CE2 3.81Å; Y128-L142 HydrophobicContact CD1-CD1 3.95Å; Y128-L142 HydrophobicContact CD1-CD2 3.81Å; Y128-L142 HydrophobicContact CD1-CG 3.97Å; Y128-L142 HydrophobicContact CE1-CD2 4.09Å; Y128-L142 HydrophobicContact CG-CD1 4.37Å; Y128-K143 WeakPolarHBondContact CA-O 3.46Å; Y128-H144 HydrophobicContact CD1-CB 3.7Å; Y128-H144 HydrophobicContact CE1-CB 3.71Å
129	F	93.7	Very high	84.8	Confident	29 Å²	29	48.7 Å²	48.7	13%	0.127	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	149.4	172	65.8	-80	0	0	0	111.4	T117 L118 V119 K143 L184	T117-F129 HydrophobicContact CG2-CB 4.35Å; T117-F129 HydrophobicContact CG2-CD2 4.41Å; L118-F129 CarbonylContact O-C 3.11Å; L118-F129 WeakPolarHBondContact O-CA 3.35Å; V119-F129 HydrophobicContact CB-CB 4.43Å; V119-F129 HydrophobicContact CG2-CB 4.34Å; F129-K143 HydrophobicContact CD1-CB 4.06Å; F129-K143 HydrophobicContact CD2-CB 4.17Å; F129-K143 HydrophobicContact CE1-CB 3.52Å; F129-K143 HydrophobicContact CE2-CB 3.65Å; F129-K143 HydrophobicContact CE2-CD 3.73Å; F129-K143 HydrophobicContact CE2-CG 4.25Å; F129-K143 HydrophobicContact CG-CB 4.38Å; F129-K143 HydrophobicContact CZ-CB 3.3Å; F129-K143 HydrophobicContact CZ-CD 3.75Å; F129-K143 HydrophobicContact CZ-CG 4.16Å; F129-K143 PolarHBondContact N-O 3.04Å; F129-K143 PolarHBondContact O-N 2.72Å; F129-L184 HydrophobicContact CB-CD1 4.36Å; F129-L184 HydrophobicContact CD1-CD2 3.87Å; F129-L184 HydrophobicContact CD2-CD1 4.42Å; F129-L184 HydrophobicContact CE1-CB 4.49Å; F129-L184 HydrophobicContact CE1-CD2 4.19Å; F129-L184 HydrophobicContact CE2-CB 4.38Å; F129-L184 HydrophobicContact CG-CD1 4.29Å; F129-L184 HydrophobicContact CG-CD2 4.22Å; F129-L184 HydrophobicContact CZ-CB 4.3Å
130	T	92.1	Very high	83.6	Confident	1 Å²	1	50 Å²	50	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.4	179.2	-173.1	0	0	0	0	110.8	I97 T117 L118 L132 N141	I97-T130 HydrophobicContact CD1-CG2 3.7Å; I97-T130 HydrophobicContact CG1-CG2 4.32Å; I97-T130 HydrophobicContact CG2-CG2 4.35Å; T117-T130 WeakPolarHBondContact CA-O 3.48Å; L118-T130 HydrophobicContact CB-CG2 4.04Å; L118-T130 HydrophobicContact CD2-CG2 4.38Å; L118-T130 PolarHBondContact N-O 3.22Å; L118-T130 PolarHBondContact O-N 3.43Å; T130-L132 HydrophobicContact CG2-CD2 4.15Å; T130-N141 WeakPolarHBondContact CA-O 2.9Å; T130-N141 WeakPolarHBondContact CB-O 3.18Å; T130-N141 PolarHBondContact OG1-O 2.81Å
131	N	89.3	Confident	82.5	Confident	70 Å²	70	56.1 Å²	56.1	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.8	175.7	-170.7	-31.9	0	0	0	109.5	D116 T133	D116-N131 CarbonylContact O-C 3.58Å; D116-N131 WeakPolarHBondContact O-CA 3.27Å; D116-N131 PolarHBondContact O-OD1 2.82Å; N131-T133 WeakPolarHBondContact OD1-CB 3.45Å; N131-T133 WeakPolarHBondContact OD1-CG2 3.24Å; N131-T133 PolarHBondContact OD1-N 2.72Å; N131-T133 PolarHBondContact OD1-OG1 3.29Å; N131-T133 VanDerWaalsContact OD1-OG1 3.14Å
132	L	88	Confident	81.8	Confident	14 Å²	14	58.6 Å²	58.6	7%	0.073	29%	0.292	C	S	.	.			trans	-96	11.9	-176.9	-59.3	179.3	0	0	0	113.4	F73 L111 D116 L118 T130 D134 V135	F73-L132 HydrophobicContact CE1-CD1 4.05Å; F73-L132 HydrophobicContact CE1-CD2 3.87Å; F73-L132 HydrophobicContact CE2-CD1 4.42Å; F73-L132 HydrophobicContact CZ-CD1 3.61Å; F73-L132 HydrophobicContact CZ-CD2 4.18Å; L111-L132 HydrophobicContact CD2-CD1 3.49Å; L111-L132 VanDerWaalsContact CD2-CD1 3.49Å; D116-L132 PolarHBondContact O-N 2.61Å; L118-L132 HydrophobicContact CB-CD1 3.94Å; L118-L132 HydrophobicContact CB-CD2 4.25Å; L118-L132 HydrophobicContact CB-CG 4.17Å; T130-L132 HydrophobicContact CG2-CD2 4.15Å; L132-D134 PolarHBondContact O-N 2.76Å; L132-D134 VanDerWaalsContact O-N 3.14Å; L132-V135 HydrophobicContact CB-CG2 3.97Å; L132-V135 HydrophobicContact CD2-CG2 4.27Å; L132-V135 WeakPolarHBondContact O-CG2 3.2Å
133	T	81.4	Confident	81.3	Confident	117 Å²	117	64.9 Å²	64.9	72%	0.718	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.4	-179.9	47.3	0	0	0	0	113.1	N131	N131-T133 WeakPolarHBondContact OD1-CB 3.45Å; N131-T133 WeakPolarHBondContact OD1-CG2 3.24Å; N131-T133 PolarHBondContact OD1-N 2.72Å; N131-T133 PolarHBondContact OD1-OG1 3.29Å; N131-T133 VanDerWaalsContact OD1-OG1 3.14Å
134	D	77	Confident	80.8	Confident	67 Å²	67	69.6 Å²	69.6	36%	0.358	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.7	83	174.5	-170.9	4	0	0	0	110.8	L132 R136 N137	L132-D134 PolarHBondContact O-N 2.76Å; L132-D134 VanDerWaalsContact O-N 3.14Å; D134-R136 PolarHBondContact O-N 2.97Å; D134-R136 WeakPolarHBondContact OD1-CB 3.49Å; D134-R136 PolarHBondContact OD1-N 2.93Å; D134-R136 VanDerWaalsContact OD1-N 3.12Å; D134-N137 WeakPolarHBondContact CB-ND2 3.49Å; D134-N137 PolarHBondContact O-N 2.74Å; D134-N137 PolarHBondContact OD2-ND2 3.44Å; D134-N137 PolarHBondContact OD2-OD1 2.89Å
135	V	76	Confident	80.5	Confident	14 Å²	14	69.4 Å²	69.4	9%	0.085	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.9	175.8	-170.3	0	0	0	0	112.4	L71 V83 L132 N137	L71-V135 HydrophobicContact CD1-CG2 3.95Å; V83-V135 HydrophobicContact CB-CG1 4.17Å; V83-V135 HydrophobicContact CG1-CG1 3.48Å; V83-V135 VanDerWaalsContact CG1-CG1 3.48Å; L132-V135 HydrophobicContact CB-CG2 3.97Å; L132-V135 HydrophobicContact CD2-CG2 4.27Å; L132-V135 WeakPolarHBondContact O-CG2 3.2Å; V135-N137 VanDerWaalsContact C-N 3.32Å
136	R	67.9	Low	80.1	Confident	207 Å²	207	72.8 Å²	72.8	78%	0.781	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-15.6	-179.5	-58.8	179.6	174.3	178.6	-1.5	112.8	M94 D134	M94-R136 HydrophobicContact CE-CG 3.82Å; D134-R136 PolarHBondContact O-N 2.97Å; D134-R136 WeakPolarHBondContact OD1-CB 3.49Å; D134-R136 PolarHBondContact OD1-N 2.93Å; D134-R136 VanDerWaalsContact OD1-N 3.12Å
137	N	62	Low	79.3	Confident	81 Å²	81	72.6 Å²	72.6	43%	0.433	35%	0.351	S	S	.	.	S	Bend	trans	-67.1	132.7	172.4	-71.9	-41.8	0	0	0	109.8	N95 D134 V135 E139	N95-N137 PolarHBondContact ND2-O 2.9Å; D134-N137 WeakPolarHBondContact CB-ND2 3.49Å; D134-N137 PolarHBondContact O-N 2.74Å; D134-N137 PolarHBondContact OD2-ND2 3.44Å; D134-N137 PolarHBondContact OD2-OD1 2.89Å; V135-N137 VanDerWaalsContact C-N 3.32Å; N137-E139 PolarHBondContact O-N 3.16Å
138	E	64.5	Low	78	Confident	170 Å²	170	76.4 Å²	76.4	79%	0.794	37%	0.369	S	S	*	.	S	Bend	trans	-63.7	-32.5	175.8	-65.9	-172.2	164.5	0	0	111.3	N95	N95-E138 VanDerWaalsContact ND2-C 3.3Å; N95-E138 PolarHBondContact ND2-O 3.14Å; N95-E138 PolarHBondContact OD1-O 3.36Å
139	E	65.8	Low	76.1	Confident	176 Å²	176	82.1 Å²	82.1	82%	0.822	41%	0.406	S	S	*	.	S	Bend	trans	-105.5	98.2	175.8	-66.5	-175.5	177.9	0	0	110.6	N137	N137-E139 PolarHBondContact O-N 3.16Å
140	L	70.1	Confident	74.1	Confident	26 Å²	26	84 Å²	84	14%	0.136	43%	0.434	C	S	.	.			trans	-76.7	131.1	172.2	-76.4	166.1	0	0	0	110.4	I97 L142	I97-L140 HydrophobicContact CD1-CD1 3.91Å; I97-L140 HydrophobicContact CG1-CB 4.29Å; I97-L140 HydrophobicContact CG1-CD1 3.43Å; I97-L140 VanDerWaalsContact CG1-CD1 3.43Å; I97-L140 HydrophobicContact CG1-CG 4.49Å; L140-L142 PolarHBondContact O-N 2.95Å
141	N	74.2	Confident	72.1	Confident	130 Å²	130	89.6 Å²	89.6	70%	0.695	46%	0.46	S	S	*	.			trans	-66.3	105.8	177.9	-77.3	-42.5	0	0	0	110	T130	T130-N141 WeakPolarHBondContact CA-O 2.9Å; T130-N141 WeakPolarHBondContact CB-O 3.18Å; T130-N141 PolarHBondContact OG1-O 2.81Å
142	L	80.7	Confident	70	Confident	52 Å²	52	97 Å²	97	27%	0.272	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.3	175.6	-175.2	70.9	0	0	0	110.3	I97 N98 P100 F120 Y128 L140	I97-L142 HydrophobicContact CG2-CD1 4.03Å; N98-L142 WeakPolarHBondContact O-CD2 3.5Å; P100-L142 HydrophobicContact CG-CD2 4.28Å; F120-L142 HydrophobicContact CE1-CD1 3.94Å; F120-L142 HydrophobicContact CZ-CD1 3.75Å; Y128-L142 HydrophobicContact CD1-CD1 3.95Å; Y128-L142 HydrophobicContact CD1-CD2 3.81Å; Y128-L142 HydrophobicContact CD1-CG 3.97Å; Y128-L142 HydrophobicContact CE1-CD2 4.09Å; Y128-L142 HydrophobicContact CG-CD1 4.37Å; L140-L142 PolarHBondContact O-N 2.95Å
143	K	82.1	Confident	68.3	Low	132 Å²	132	101.4 Å²	101.4	57%	0.574	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	158.7	170.2	-66.6	-179.4	-177.3	179	0	109.2	Y128 F129	Y128-K143 WeakPolarHBondContact CA-O 3.46Å; F129-K143 HydrophobicContact CD1-CB 4.06Å; F129-K143 HydrophobicContact CD2-CB 4.17Å; F129-K143 HydrophobicContact CE1-CB 3.52Å; F129-K143 HydrophobicContact CE2-CB 3.65Å; F129-K143 HydrophobicContact CE2-CD 3.73Å; F129-K143 HydrophobicContact CE2-CG 4.25Å; F129-K143 HydrophobicContact CG-CB 4.38Å; F129-K143 HydrophobicContact CZ-CB 3.3Å; F129-K143 HydrophobicContact CZ-CD 3.75Å; F129-K143 HydrophobicContact CZ-CG 4.16Å; F129-K143 PolarHBondContact N-O 3.04Å; F129-K143 PolarHBondContact O-N 2.72Å
144	H	81.6	Confident	67.8	Low	114 Å²	114	100.6 Å²	100.6	53%	0.528	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.6	176.3	67.3	-87.9	0	0	0	111.5	I126 L127 Y128	I126-H144 HydrophobicContact CG2-CB 3.64Å; L127-H144 CarbonylContact O-C 3.56Å; L127-H144 VanDerWaalsContact O-CA 3.24Å; L127-H144 WeakPolarHBondContact O-CA 3.41Å; Y128-H144 HydrophobicContact CD1-CB 3.7Å; Y128-H144 HydrophobicContact CE1-CB 3.71Å
145	T	81.3	Confident	68.2	Low	3 Å²	3	98.4 Å²	98.4	2%	0.018	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.3	171.8	165.3	0	0	0	0	108	I126 L127 T182 L184 N187	I126-T145 WeakPolarHBondContact CA-O 3.22Å; L127-T145 HydrophobicContact CB-CG2 3.61Å; L127-T145 HydrophobicContact CD1-CG2 4.21Å; L127-T145 HydrophobicContact CG-CG2 4.21Å; L127-T145 PolarHBondContact N-O 2.92Å; L127-T145 VanDerWaalsContact N-O 3.1Å; L127-T145 PolarHBondContact O-N 3.03Å; T145-T182 HydrophobicContact CG2-CG2 4.13Å; T145-L184 HydrophobicContact CG2-CD2 4.38Å; T145-N187 WeakPolarHBondContact CB-OD1 3.26Å; T145-N187 PolarHBondContact OG1-OD1 3.25Å
146	E	79.5	Confident	68.9	Low	104 Å²	104	99.4 Å²	99.4	49%	0.486	49%	0.489	S	S	.	.			trans	-112.6	137.8	-179.9	-170.9	-174.8	-178.2	0	0	110.1
147	L	72.7	Confident	70.1	Confident	11 Å²	11	89.5 Å²	89.5	6%	0.058	45%	0.452	C	S	.	.	S	Bend	trans	-88.6	129.7	174.2	-62.7	174.5	0	0	0	110.2	P125 T155 H174 Y180 Y189	P125-L147 HydrophobicContact CB-CB 4.32Å; P125-L147 WeakPolarHBondContact O-CG 3.36Å; L147-T155 HydrophobicContact CD1-CG2 4.31Å; L147-H174 WeakPolarHBondContact CD1-CE1 3.23Å; L147-Y180 HydrophobicContact CD1-CD1 4.18Å; L147-Y180 HydrophobicContact CD1-CD2 4.44Å; L147-Y180 HydrophobicContact CD1-CE1 4.22Å; L147-Y180 HydrophobicContact CD1-CE2 4.48Å; L147-Y180 HydrophobicContact CD1-CG 4.29Å; L147-Y180 HydrophobicContact CD2-CD1 3.48Å; L147-Y180 VanDerWaalsContact CD2-CD1 3.48Å; L147-Y180 HydrophobicContact CD2-CE1 3.82Å; L147-Y180 HydrophobicContact CD2-CG 4.15Å; L147-Y180 HydrophobicContact CG-CD1 4.42Å; L147-Y180 HydrophobicContact CG-CE1 4.47Å; L147-Y189 HydrophobicContact CD2-CD1 4.03Å; L147-Y189 HydrophobicContact CD2-CD2 4.34Å; L147-Y189 HydrophobicContact CD2-CE1 4.4Å; L147-Y189 HydrophobicContact CD2-CG 4.01Å
148	Q	65.3	Low	71.7	Confident	82 Å²	82	86.6 Å²	86.6	38%	0.383	44%	0.435	S	S	.	.			trans	36.8	111.2	179.8	-77.2	-166.7	51.5	0	0	117.3	G150 Y189	Q148-G150 PolarHBondContact O-N 2.95Å; Q148-Y189 WeakPolarHBondContact CG-OH 3.22Å; Q148-Y189 PolarHBondContact N-OH 2.95Å
149	P	53.5	Low	73.3	Confident	124 Å²	124	78.6 Å²	78.6	81%	0.805	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	101.8	169.3	28.7	-30.1	0	0	0	110.1
150	G	50.2	Low	74.8	Confident	70 Å²	70	70.4 Å²	70.4	72%	0.722	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	145.1	-21.5	169.3	0	0	0	0	0	116.4	Q148 R152	Q148-G150 PolarHBondContact O-N 2.95Å; G150-R152 VanDerWaalsContact C-N 3.32Å; G150-R152 PolarHBondContact O-N 3.43Å; G150-R152 VanDerWaalsContact O-N 3.12Å
151	E	50.3	Low	76	Confident	118 Å²	118	70.5 Å²	70.5	55%	0.551	36%	0.361	S	S	*	.			trans	-86	78.8	170.3	-71.1	-167.3	167.5	0	0	108.9	N153	E151-N153 PolarHBondContact O-N 2.93Å
152	R	45.8	Very low	77	Confident	225 Å²	225	64.6 Å²	64.6	85%	0.849	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	107.1	174.1	-75.2	179.7	170.5	179.7	-4.5	110	G150	G150-R152 VanDerWaalsContact C-N 3.32Å; G150-R152 PolarHBondContact O-N 3.43Å; G150-R152 VanDerWaalsContact O-N 3.12Å
153	N	51.7	Low	77.6	Confident	106 Å²	106	62.5 Å²	62.5	57%	0.567	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	32	148.4	-62.3	-13	0	0	0	121.5	E151	E151-N153 PolarHBondContact O-N 2.93Å
154	I	71.1	Confident	77.7	Confident	101 Å²	101	56.5 Å²	56.5	52%	0.518	29%	0.294	S	S	.	.			trans	-121.9	-18.4	173	-49.2	176.5	0	0	0	114.8	K156 N175	I154-K156 PolarHBondContact O-N 3.22Å; I154-N175 PolarHBondContact O-ND2 2.91Å
155	T	85.2	Confident	77.3	Confident	20 Å²	20	54 Å²	54	12%	0.123	30%	0.298	C	S	.	.			trans	-78.5	127.5	-176.2	-55.9	0	0	0	0	111.4	S124 P125 L147 H174 N175	S124-T155 CarbonylContact C-O 3.58Å; P125-T155 HydrophobicContact CB-CG2 4.41Å; P125-T155 VanDerWaalsContact CD-O 3.25Å; P125-T155 WeakPolarHBondContact CD-O 3.47Å; L147-T155 HydrophobicContact CD1-CG2 4.31Å; T155-H174 HydrophobicContact CG2-CB 4.38Å; T155-H174 WeakPolarHBondContact CG2-ND1 3.2Å; T155-N175 WeakPolarHBondContact CA-OD1 3.28Å
156	K	90.8	Very high	77.3	Confident	35 Å²	35	54.8 Å²	54.8	15%	0.152	30%	0.304	C	S	.	.			trans	-123.5	132.1	-178.1	-61.2	179.2	179.4	168.9	0	109.6	L123 I154 F158 H174 N175 E525 F526	L123-K156 WeakPolarHBondContact O-CG 3.32Å; I154-K156 PolarHBondContact O-N 3.22Å; K156-F158 HydrophobicContact CB-CZ 4.29Å; K156-H174 CarbonylContact O-C 3.56Å; K156-H174 WeakPolarHBondContact O-CA 3.17Å; K156-N175 HydrophobicContact CB-CB 4.42Å; K156-N175 PolarHBondContact N-OD1 3.42Å; K156-N175 PolarHBondContact O-N 3.36Å; K156-E525 PolarHBondContact NZ-O 2.88Å; K156-F526 PolarHBondContact NZ-O 2.95Å; K156-F526 VanDerWaalsContact NZ-O 3.15Å
157	T	94.4	Very high	77.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129	176	-46.1	0	0	0	0	110.7	C121 S124 L127 H174	C121-T157 HydrophobicContact CB-CG2 3.79Å; S124-T157 WeakPolarHBondContact O-CB 3.26Å; S124-T157 PolarHBondContact O-N 2.89Å; S124-T157 PolarHBondContact O-OG1 3.36Å; L127-T157 HydrophobicContact CD2-CG2 3.82Å; T157-H174 PolarHBondContact OG1-CE1 3.05Å; T157-H174 PolarHBondContact OG1-ND1 2.85Å
158	F	95.8	Very high	78.2	Confident	19 Å²	19	54 Å²	54	8%	0.083	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-28.5	179	-61.3	-71.9	0	0	0	113.7	L123 K156 G173 N175 D201	L123-F158 HydrophobicContact CD2-CD1 3.55Å; L123-F158 HydrophobicContact CD2-CE1 3.67Å; K156-F158 HydrophobicContact CB-CZ 4.29Å; F158-G173 PolarHBondContact N-O 3.49Å; F158-N175 HydrophobicContact CE2-CB 3.8Å; F158-N175 HydrophobicContact CZ-CB 4.26Å; F158-D201 HydrophobicContact CD2-CB 4.48Å; F158-D201 HydrophobicContact CE2-CB 3.84Å; F158-D201 WeakPolarHBondContact CE2-OD2 3.46Å; F158-D201 HydrophobicContact CZ-CB 4.43Å; F158-D201 WeakPolarHBondContact CZ-OD2 3.12Å
159	S	97.4	Very high	79.5	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	143.7	-175.1	176.3	0	0	0	0	110	S172 G173 N203 V205	S159-S172 CarbonylContact O-C 3.54Å; S159-S172 VanDerWaalsContact O-CA 3.22Å; S159-S172 WeakPolarHBondContact O-CA 3.34Å; S159-G173 PolarHBondContact O-N 3.15Å; S159-N203 WeakPolarHBondContact CB-O 3.28Å; S159-V205 PolarHBondContact OG-N 2.72Å; S159-V205 VanDerWaalsContact OG-N 3.13Å
160	V	96.7	Very high	81.5	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	140.6	174.3	66.8	0	0	0	0	108.9	S108 V119 C121 L127 V170 I171	S108-V160 PolarHBondContact OG-N 3.03Å; S108-V160 PolarHBondContact OG-O 2.92Å; V119-V160 HydrophobicContact CG1-CG1 4.14Å; V119-V160 HydrophobicContact CG1-CG2 3.82Å; V119-V160 HydrophobicContact CG2-CG2 3.86Å; C121-V160 HydrophobicContact CB-CB 4.44Å; C121-V160 HydrophobicContact CB-CG1 4.25Å; L127-V160 HydrophobicContact CD2-CG2 4.47Å; V160-V170 HydrophobicContact CG2-CB 4.29Å; V160-I171 CarbonylContact C-O 3.55Å; V160-I171 VanDerWaalsContact CA-O 3.3Å; V160-I171 WeakPolarHBondContact CA-O 3.31Å
161	D	96.3	Very high	83.7	Confident	29 Å²	29	44 Å²	44	16%	0.155	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154.9	175.2	-161.1	15.8	0	0	0	111	S110 V170 I171 T206 T207	S110-D161 WeakPolarHBondContact CB-OD1 3.33Å; S110-D161 PolarHBondContact OG-OD1 2.94Å; D161-V170 CarbonylContact O-C 3.56Å; D161-V170 VanDerWaalsContact O-CA 3.32Å; D161-V170 WeakPolarHBondContact O-CA 3.17Å; D161-I171 HydrophobicContact CB-CD1 4.34Å; D161-I171 HydrophobicContact CB-CG1 3.98Å; D161-I171 PolarHBondContact N-O 2.86Å; D161-I171 WeakPolarHBondContact O-CG1 3.43Å; D161-I171 PolarHBondContact O-N 3Å; D161-T206 VanDerWaalsContact OD2-CA 3.27Å; D161-T206 WeakPolarHBondContact OD2-CA 3.41Å; D161-T206 PolarHBondContact OD2-OG1 2.96Å; D161-T207 PolarHBondContact OD2-N 2.86Å
162	F	95	Very high	85.9	Confident	6 Å²	6	38.4 Å²	38.4	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	144.3	172.2	-85.4	-87.9	0	0	0	110.8	L111 T117 V119 N167 V170 L184 T207	L111-F162 VanDerWaalsContact C-CE2 3.47Å; L111-F162 WeakPolarHBondContact O-CD2 3.28Å; T117-F162 HydrophobicContact CG2-CZ 3.98Å; V119-F162 HydrophobicContact CB-CE2 3.94Å; V119-F162 HydrophobicContact CB-CZ 4.15Å; V119-F162 HydrophobicContact CG1-CD2 3.89Å; V119-F162 HydrophobicContact CG1-CE2 3.49Å; V119-F162 VanDerWaalsContact CG1-CE2 3.49Å; V119-F162 HydrophobicContact CG1-CZ 4.11Å; F162-N167 WeakPolarHBondContact CE1-O 3.44Å; F162-V170 HydrophobicContact CD1-CG1 3.7Å; F162-V170 HydrophobicContact CD2-CG1 4.46Å; F162-V170 HydrophobicContact CE1-CG1 3.7Å; F162-V170 HydrophobicContact CE2-CG1 4.47Å; F162-V170 HydrophobicContact CG-CG1 4.1Å; F162-V170 HydrophobicContact CZ-CG1 4.1Å; F162-L184 HydrophobicContact CE1-CD1 4.01Å; F162-L184 HydrophobicContact CZ-CD1 4.26Å; F162-T207 WeakPolarHBondContact O-CG2 3.48Å
163	L	94	Very high	88.3	Confident	7 Å²	7	27.7 Å²	27.7	4%	0.037	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-73.5	135.7	173.1	-178.4	57.7	0	0	0	110.8	G165 S166 Q169 I171 V181 T207 I215 I229	L163-G165 PolarHBondContact O-N 2.86Å; L163-S166 WeakPolarHBondContact O-CB 3.25Å; L163-S166 PolarHBondContact O-N 3.24Å; L163-S166 VanDerWaalsContact O-O 3.05Å; L163-Q169 HydrophobicContact CB-CB 4.03Å; L163-Q169 WeakPolarHBondContact CB-O 3.25Å; L163-Q169 HydrophobicContact CD2-CB 4.14Å; L163-Q169 PolarHBondContact N-O 2.77Å; L163-I171 HydrophobicContact CB-CG2 4.46Å; L163-I171 HydrophobicContact CD1-CG2 4.38Å; L163-V181 HydrophobicContact CD2-CG1 4.46Å; L163-T207 HydrophobicContact CD1-CG2 3.84Å; L163-I215 HydrophobicContact CD1-CG2 3.79Å; L163-I229 HydrophobicContact CD1-CD1 3.21Å; L163-I229 HydrophobicContact CD2-CD1 3.37Å; L163-I229 HydrophobicContact CG-CD1 3.9Å
164	G	83.1	Confident	90.4	Very high	7 Å²	7	22.7 Å²	22.7	7%	0.072	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	132.5	178.8	0	0	0	0	0	111.6	S166 R210 S212	G164-S166 PolarHBondContact O-N 2.75Å; G164-R210 CarbonylContact C-O 3.56Å; G164-S212 WeakPolarHBondContact CA-O 3.41Å
165	G	74	Confident	91.3	Very high	60 Å²	60	18.6 Å²	18.6	62%	0.619	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	-7.5	-179.1	0	0	0	0	0	113.9	L163 R210	L163-G165 PolarHBondContact O-N 2.86Å; G165-R210 WeakPolarHBondContact CA-O 3.4Å; G165-R210 PolarHBondContact N-O 2.89Å
166	S	79.8	Confident	91.5	Very high	21 Å²	21	21.9 Å²	21.9	15%	0.147	13%	0.126	C	C	.	.			trans	-112.6	136.6	-178.2	-170.1	0	0	0	0	111	L163 G164 N168 Q169	L163-S166 WeakPolarHBondContact O-CB 3.25Å; L163-S166 PolarHBondContact O-N 3.24Å; L163-S166 VanDerWaalsContact O-O 3.05Å; G164-S166 PolarHBondContact O-N 2.75Å; S166-N168 PolarHBondContact OG-N 3.23Å; S166-Q169 WeakPolarHBondContact OG-CB 3.43Å; S166-Q169 PolarHBondContact OG-N 2.66Å
167	N	82.3	Confident	91.6	Very high	56 Å²	56	20.3 Å²	20.3	30%	0.299	12%	0.119	S	C	.	.	S	Bend	trans	-99.6	1.5	168.2	-61.2	-39.1	0	0	0	112	L114 F162	L114-N167 WeakPolarHBondContact CD1-ND2 3.3Å; L114-N167 VanDerWaalsContact CG-ND2 3.31Å; L114-N167 WeakPolarHBondContact CG-ND2 3.3Å; F162-N167 WeakPolarHBondContact CE1-O 3.44Å
168	N	89.1	Confident	91.6	Very high	41 Å²	41	22.3 Å²	22.3	22%	0.219	13%	0.129	C	C	.	.	S	Bend	trans	-123.1	-19.4	-172.3	-174.8	47.1	0	0	0	113	S166 D183 L184 Q185	S166-N168 PolarHBondContact OG-N 3.23Å; N168-D183 PolarHBondContact ND2-OD1 3.13Å; N168-D183 PolarHBondContact ND2-OD2 2.88Å; N168-D183 VanDerWaalsContact ND2-OD2 3.12Å; N168-L184 WeakPolarHBondContact O-CB 3.43Å; N168-L184 WeakPolarHBondContact O-CG 3.37Å; N168-L184 PolarHBondContact O-N 3.23Å; N168-Q185 WeakPolarHBondContact ND2-CB 3.18Å; N168-Q185 VanDerWaalsContact OD1-CB 3.27Å; N168-Q185 WeakPolarHBondContact OD1-CB 3.49Å; N168-Q185 PolarHBondContact OD1-N 2.92Å
169	Q	93.2	Very high	91.6	Very high	67 Å²	67	21.5 Å²	21.5	31%	0.313	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.2	178.7	-68	179.3	-27	0	0	110.3	L163 S166 T182 D183	L163-Q169 HydrophobicContact CB-CB 4.03Å; L163-Q169 WeakPolarHBondContact CB-O 3.25Å; L163-Q169 HydrophobicContact CD2-CB 4.14Å; L163-Q169 PolarHBondContact N-O 2.77Å; S166-Q169 WeakPolarHBondContact OG-CB 3.43Å; S166-Q169 PolarHBondContact OG-N 2.66Å; Q169-T182 CarbonylContact C-O 3.52Å; Q169-T182 VanDerWaalsContact CA-O 3.3Å; Q169-T182 WeakPolarHBondContact CA-O 3.39Å; Q169-D183 HydrophobicContact CG-CB 4.28Å
170	V	95.3	Very high	91.4	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.7	177.5	-62.4	0	0	0	0	109.8	V119 L127 V160 D161 F162 V181 T182 L184	V119-V170 HydrophobicContact CB-CG1 4.28Å; V119-V170 HydrophobicContact CG1-CG1 4.03Å; V119-V170 HydrophobicContact CG2-CG1 4.2Å; L127-V170 HydrophobicContact CD1-CG2 4.09Å; V160-V170 HydrophobicContact CG2-CB 4.29Å; D161-V170 CarbonylContact O-C 3.56Å; D161-V170 VanDerWaalsContact O-CA 3.32Å; D161-V170 WeakPolarHBondContact O-CA 3.17Å; F162-V170 HydrophobicContact CD1-CG1 3.7Å; F162-V170 HydrophobicContact CD2-CG1 4.46Å; F162-V170 HydrophobicContact CE1-CG1 3.7Å; F162-V170 HydrophobicContact CE2-CG1 4.47Å; F162-V170 HydrophobicContact CG-CG1 4.1Å; F162-V170 HydrophobicContact CZ-CG1 4.1Å; V170-V181 CarbonylContact O-C 3.6Å; V170-V181 WeakPolarHBondContact O-CA 3.32Å; V170-T182 PolarHBondContact N-O 2.9Å; V170-T182 PolarHBondContact O-N 2.91Å; V170-L184 HydrophobicContact CG1-CD1 3.8Å; V170-L184 HydrophobicContact CG1-CD2 4.32Å; V170-L184 HydrophobicContact CG1-CG 4.12Å; V170-L184 HydrophobicContact CG2-CD2 3.81Å; V170-L184 HydrophobicContact CG2-CG 4.25Å
171	I	95.8	Very high	91.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141	171.6	62.6	177.6	0	0	0	109.2	V160 D161 L163 Y180 V181 V205 T207 I215	V160-I171 CarbonylContact C-O 3.55Å; V160-I171 VanDerWaalsContact CA-O 3.3Å; V160-I171 WeakPolarHBondContact CA-O 3.31Å; D161-I171 HydrophobicContact CB-CD1 4.34Å; D161-I171 HydrophobicContact CB-CG1 3.98Å; D161-I171 PolarHBondContact N-O 2.86Å; D161-I171 WeakPolarHBondContact O-CG1 3.43Å; D161-I171 PolarHBondContact O-N 3Å; L163-I171 HydrophobicContact CB-CG2 4.46Å; L163-I171 HydrophobicContact CD1-CG2 4.38Å; I171-Y180 CarbonylContact C-O 3.59Å; I171-Y180 VanDerWaalsContact CA-O 3.27Å; I171-Y180 WeakPolarHBondContact CA-O 3.18Å; I171-V181 HydrophobicContact CG2-CG1 4.46Å; I171-V181 HydrophobicContact CG2-CG2 4.1Å; I171-V205 HydrophobicContact CD1-CB 4.04Å; I171-V205 HydrophobicContact CD1-CG2 4.31Å; I171-V205 HydrophobicContact CG1-CB 4.25Å; I171-V205 HydrophobicContact CG1-CG2 3.99Å; I171-T207 HydrophobicContact CD1-CG2 3.92Å; I171-I215 HydrophobicContact CD1-CB 4.21Å; I171-I215 HydrophobicContact CD1-CG2 3.74Å; I171-I215 HydrophobicContact CG2-CG2 4.06Å
172	S	96.8	Very high	91.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136.1	178.7	50.1	0	0	0	0	110.8	S159 H174 V179 Y180	S159-S172 CarbonylContact O-C 3.54Å; S159-S172 VanDerWaalsContact O-CA 3.22Å; S159-S172 WeakPolarHBondContact O-CA 3.34Å; S172-H174 VanDerWaalsContact CB-NE2 3.33Å; S172-H174 WeakPolarHBondContact CB-NE2 3.23Å; S172-H174 PolarHBondContact O-CD2 2.87Å; S172-H174 VanDerWaalsContact O-CD2 3.25Å; S172-H174 PolarHBondContact OG-NE2 3.35Å; S172-V179 VanDerWaalsContact O-CA 3.3Å; S172-V179 WeakPolarHBondContact O-CA 3.37Å; S172-Y180 PolarHBondContact N-O 3.37Å; S172-Y180 PolarHBondContact O-N 3.08Å
173	G	96.6	Very high	91	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.7	176.6	0	0	0	0	0	110.3	F158 S159 V202	F158-G173 PolarHBondContact N-O 3.49Å; S159-G173 PolarHBondContact O-N 3.15Å; G173-V202 CarbonylContact C-O 3.53Å
174	H	94.9	Very high	90.9	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	170.7	-171.9	-65.7	-98.1	0	0	0	112.3	L147 T155 K156 T157 S172 M178 Y180 V202	L147-H174 WeakPolarHBondContact CD1-CE1 3.23Å; T155-H174 HydrophobicContact CG2-CB 4.38Å; T155-H174 WeakPolarHBondContact CG2-ND1 3.2Å; K156-H174 CarbonylContact O-C 3.56Å; K156-H174 WeakPolarHBondContact O-CA 3.17Å; T157-H174 PolarHBondContact OG1-CE1 3.05Å; T157-H174 PolarHBondContact OG1-ND1 2.85Å; S172-H174 VanDerWaalsContact CB-NE2 3.33Å; S172-H174 WeakPolarHBondContact CB-NE2 3.23Å; S172-H174 PolarHBondContact O-CD2 2.87Å; S172-H174 VanDerWaalsContact O-CD2 3.25Å; S172-H174 PolarHBondContact OG-NE2 3.35Å; H174-M178 HydrophobicContact CB-CB 4.34Å; H174-M178 PolarHBondContact N-O 2.82Å; H174-Y180 HydrophobicContact CB-CE2 4.37Å; H174-Y180 AromaticContact CD2-CD2 3.23Å; H174-Y180 WeakPolarHBondContact CD2-CD2 3.27Å; H174-Y180 AromaticContact CD2-CE2 3.86Å; H174-Y180 AromaticContact CG-CD2 3.82Å; H174-Y180 AromaticContact CG-CE2 3.97Å; H174-Y180 AromaticContact NE2-CD2 3.53Å; H174-Y180 AromaticContact NE2-CG 3.97Å; H174-V202 PolarHBondContact O-N 3.17Å
175	N	91.5	Very high	91.1	Very high	15 Å²	15	30 Å²	30	8%	0.08	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-64.6	167	166	69.7	-30.1	0	0	0	112.4	I154 T155 K156 F158 G177 D201	I154-N175 PolarHBondContact O-ND2 2.91Å; T155-N175 WeakPolarHBondContact CA-OD1 3.28Å; K156-N175 HydrophobicContact CB-CB 4.42Å; K156-N175 PolarHBondContact N-OD1 3.42Å; K156-N175 PolarHBondContact O-N 3.36Å; F158-N175 HydrophobicContact CE2-CB 3.8Å; F158-N175 HydrophobicContact CZ-CB 4.26Å; N175-G177 PolarHBondContact O-N 3.04Å; N175-D201 VanDerWaalsContact CA-CG 3.45Å; N175-D201 WeakPolarHBondContact CA-OD1 3.45Å; N175-D201 WeakPolarHBondContact CB-OD1 3.42Å; N175-D201 VanDerWaalsContact CB-OD2 3.28Å; N175-D201 WeakPolarHBondContact CB-OD2 3.24Å
176	K	89.6	Confident	91.8	Very high	90 Å²	90	30.5 Å²	30.5	39%	0.391	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	62.9	19.8	-177	-52.1	172.5	-177.1	168.1	0	113.8	K199 D201	K176-K199 CarbonylContact C-O 3.51Å; K176-K199 WeakPolarHBondContact CA-O 3.29Å; K176-D201 PolarHBondContact N-OD1 2.93Å
177	G	92.1	Very high	92.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.01	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	73.8	24.6	175.6	0	0	0	0	0	115.4	N175 V194 K199 A200	N175-G177 PolarHBondContact O-N 3.04Å; G177-V194 PolarHBondContact O-N 2.99Å; G177-K199 PolarHBondContact N-O 2.94Å; G177-A200 WeakPolarHBondContact CA-O 3.18Å; G177-A200 PolarHBondContact N-O 3.23Å
178	M	94.1	Very high	92.4	Very high	43 Å²	43	37.8 Å²	37.8	21%	0.212	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	144.9	-176.6	-62.4	-59.9	-65.2	0	0	112.2	H174 Y180 A193	H174-M178 HydrophobicContact CB-CB 4.34Å; H174-M178 PolarHBondContact N-O 2.82Å; M178-Y180 HydrophobicContact CB-CD2 4.32Å; M178-Y180 HydrophobicContact CB-CE2 3.74Å; M178-A193 HydrophobicContact SD-CB 3.75Å
179	V	95.5	Very high	92.5	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.2	166	170.3	0	0	0	0	108.7	S172 S191 F192 V194 V202 V205 A217	S172-V179 VanDerWaalsContact O-CA 3.3Å; S172-V179 WeakPolarHBondContact O-CA 3.37Å; V179-S191 WeakPolarHBondContact O-CA 3.47Å; V179-F192 HydrophobicContact CB-CE1 4.05Å; V179-F192 HydrophobicContact CB-CE2 4.02Å; V179-F192 HydrophobicContact CB-CZ 3.61Å; V179-F192 HydrophobicContact CG1-CE1 3.82Å; V179-F192 HydrophobicContact CG1-CE2 4.41Å; V179-F192 HydrophobicContact CG1-CZ 3.54Å; V179-F192 HydrophobicContact CG2-CZ 4.5Å; V179-F192 PolarHBondContact N-O 2.75Å; V179-F192 PolarHBondContact O-N 3.35Å; V179-V194 HydrophobicContact CB-CG2 4.24Å; V179-V194 HydrophobicContact CG2-CG2 3.41Å; V179-V194 VanDerWaalsContact CG2-CG2 3.41Å; V179-V202 HydrophobicContact CG2-CB 4.42Å; V179-V202 HydrophobicContact CG2-CG1 3.9Å; V179-V202 HydrophobicContact CG2-CG2 4.24Å; V179-V205 HydrophobicContact CG1-CG1 4.49Å; V179-V205 HydrophobicContact CG2-CG1 3.85Å; V179-A217 HydrophobicContact CG2-CB 4.12Å
180	Y	94.2	Very high	92.3	Very high	14 Å²	14	42.2 Å²	42.2	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.8	177.9	-71.2	-111	0	0	0	109.5	L147 I171 S172 H174 M178 Y189 E190 S191	L147-Y180 HydrophobicContact CD1-CD1 4.18Å; L147-Y180 HydrophobicContact CD1-CD2 4.44Å; L147-Y180 HydrophobicContact CD1-CE1 4.22Å; L147-Y180 HydrophobicContact CD1-CE2 4.48Å; L147-Y180 HydrophobicContact CD1-CG 4.29Å; L147-Y180 HydrophobicContact CD2-CD1 3.48Å; L147-Y180 VanDerWaalsContact CD2-CD1 3.48Å; L147-Y180 HydrophobicContact CD2-CE1 3.82Å; L147-Y180 HydrophobicContact CD2-CG 4.15Å; L147-Y180 HydrophobicContact CG-CD1 4.42Å; L147-Y180 HydrophobicContact CG-CE1 4.47Å; I171-Y180 CarbonylContact C-O 3.59Å; I171-Y180 VanDerWaalsContact CA-O 3.27Å; I171-Y180 WeakPolarHBondContact CA-O 3.18Å; S172-Y180 PolarHBondContact N-O 3.37Å; S172-Y180 PolarHBondContact O-N 3.08Å; H174-Y180 HydrophobicContact CB-CE2 4.37Å; H174-Y180 AromaticContact CD2-CD2 3.23Å; H174-Y180 WeakPolarHBondContact CD2-CD2 3.27Å; H174-Y180 AromaticContact CD2-CE2 3.86Å; H174-Y180 AromaticContact CG-CD2 3.82Å; H174-Y180 AromaticContact CG-CE2 3.97Å; H174-Y180 AromaticContact NE2-CD2 3.53Å; H174-Y180 AromaticContact NE2-CG 3.97Å; M178-Y180 HydrophobicContact CB-CD2 4.32Å; M178-Y180 HydrophobicContact CB-CE2 3.74Å; Y180-Y189 AromaticContact CD1-CD2 3.67Å; Y180-Y189 HydrophobicContact CD1-CD2 3.67Å; Y180-Y189 HydrophobicContact CD1-CE2 4.27Å; Y180-Y189 HydrophobicContact CD1-CG 4.25Å; Y180-Y189 AromaticContact CE1-CD2 3.89Å; Y180-Y189 HydrophobicContact CE1-CD2 3.89Å; Y180-Y189 HydrophobicContact CE1-CE2 4.01Å; Y180-E190 CarbonylContact C-O 3.39Å; Y180-E190 WeakPolarHBondContact CA-O 3.43Å; Y180-S191 VanDerWaalsContact CE1-CB 3.5Å
181	V	94	Very high	92.1	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	109.5	169.8	-173.7	0	0	0	0	106.6	L163 V170 I171 Y189 E190 F192 I229	L163-V181 HydrophobicContact CD2-CG1 4.46Å; V170-V181 CarbonylContact O-C 3.6Å; V170-V181 WeakPolarHBondContact O-CA 3.32Å; I171-V181 HydrophobicContact CG2-CG1 4.46Å; I171-V181 HydrophobicContact CG2-CG2 4.1Å; V181-Y189 CarbonylContact O-C 3.56Å; V181-Y189 VanDerWaalsContact O-CA 3.22Å; V181-Y189 WeakPolarHBondContact O-CA 3.45Å; V181-E190 PolarHBondContact N-O 2.75Å; V181-E190 PolarHBondContact O-N 2.81Å; V181-F192 HydrophobicContact CG2-CE1 4.14Å; V181-I229 HydrophobicContact CG1-CD1 4.42Å; V181-I229 HydrophobicContact CG2-CD1 4.26Å
182	T	93.7	Very high	92	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.4	-173	-55.7	0	0	0	0	110.2	T145 Q169 V170	T145-T182 HydrophobicContact CG2-CG2 4.13Å; Q169-T182 CarbonylContact C-O 3.52Å; Q169-T182 VanDerWaalsContact CA-O 3.3Å; Q169-T182 WeakPolarHBondContact CA-O 3.39Å; V170-T182 PolarHBondContact N-O 2.9Å; V170-T182 PolarHBondContact O-N 2.91Å
183	D	92.1	Very high	91.8	Very high	30 Å²	30	48 Å²	48	16%	0.16	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.1	170.1	-176.7	-57.3	0	0	0	109.4	N168 Q169 Q185 T186 N187 K188	N168-D183 PolarHBondContact ND2-OD1 3.13Å; N168-D183 PolarHBondContact ND2-OD2 2.88Å; N168-D183 VanDerWaalsContact ND2-OD2 3.12Å; Q169-D183 HydrophobicContact CG-CB 4.28Å; D183-Q185 VanDerWaalsContact C-N 3.31Å; D183-Q185 PolarHBondContact O-N 3.14Å; D183-Q185 PolarHBondContact OD1-N 2.78Å; D183-T186 WeakPolarHBondContact CB-OG1 3.42Å; D183-T186 PolarHBondContact OD1-N 3.31Å; D183-T186 PolarHBondContact OD1-OG1 3.05Å; D183-T186 VanDerWaalsContact OD1-OG1 3.06Å; D183-N187 VanDerWaalsContact O-CA 3.28Å; D183-N187 WeakPolarHBondContact O-CA 3.35Å; D183-N187 PolarHBondContact O-N 2.91Å; D183-K188 PolarHBondContact N-O 2.87Å
184	L	90.5	Very high	91.6	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.073	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28	-173.9	-62.5	177.5	0	0	0	113	F129 T145 F162 N168 V170	F129-L184 HydrophobicContact CB-CD1 4.36Å; F129-L184 HydrophobicContact CD1-CD2 3.87Å; F129-L184 HydrophobicContact CD2-CD1 4.42Å; F129-L184 HydrophobicContact CE1-CB 4.49Å; F129-L184 HydrophobicContact CE1-CD2 4.19Å; F129-L184 HydrophobicContact CE2-CB 4.38Å; F129-L184 HydrophobicContact CG-CD1 4.29Å; F129-L184 HydrophobicContact CG-CD2 4.22Å; F129-L184 HydrophobicContact CZ-CB 4.3Å; T145-L184 HydrophobicContact CG2-CD2 4.38Å; F162-L184 HydrophobicContact CE1-CD1 4.01Å; F162-L184 HydrophobicContact CZ-CD1 4.26Å; N168-L184 WeakPolarHBondContact O-CB 3.43Å; N168-L184 WeakPolarHBondContact O-CG 3.37Å; N168-L184 PolarHBondContact O-N 3.23Å; V170-L184 HydrophobicContact CG1-CD1 3.8Å; V170-L184 HydrophobicContact CG1-CD2 4.32Å; V170-L184 HydrophobicContact CG1-CG 4.12Å; V170-L184 HydrophobicContact CG2-CD2 3.81Å; V170-L184 HydrophobicContact CG2-CG 4.25Å
185	Q	88.1	Confident	91.4	Very high	163 Å²	163	48.6 Å²	48.6	76%	0.762	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-42.9	179.7	-176	177.5	8.6	0	0	112	N168 D183	N168-Q185 WeakPolarHBondContact ND2-CB 3.18Å; N168-Q185 VanDerWaalsContact OD1-CB 3.27Å; N168-Q185 WeakPolarHBondContact OD1-CB 3.49Å; N168-Q185 PolarHBondContact OD1-N 2.92Å; D183-Q185 VanDerWaalsContact C-N 3.31Å; D183-Q185 PolarHBondContact O-N 3.14Å; D183-Q185 PolarHBondContact OD1-N 2.78Å
186	T	88.9	Confident	91.1	Very high	71 Å²	71	52.3 Å²	52.3	44%	0.436	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-10.3	-175.8	63.1	0	0	0	0	113.6	D183 K188	D183-T186 WeakPolarHBondContact CB-OG1 3.42Å; D183-T186 PolarHBondContact OD1-N 3.31Å; D183-T186 PolarHBondContact OD1-OG1 3.05Å; D183-T186 VanDerWaalsContact OD1-OG1 3.06Å; T186-K188 PolarHBondContact O-N 2.74Å; T186-K188 VanDerWaalsContact O-N 3.14Å; T186-K188 PolarHBondContact OG1-N 2.9Å
187	N	85.9	Confident	90.9	Very high	78 Å²	78	55.5 Å²	55.5	42%	0.417	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	21.5	-173.2	-162.2	21.7	0	0	0	113.2	T145 D183	T145-N187 WeakPolarHBondContact CB-OD1 3.26Å; T145-N187 PolarHBondContact OG1-OD1 3.25Å; D183-N187 VanDerWaalsContact O-CA 3.28Å; D183-N187 WeakPolarHBondContact O-CA 3.35Å; D183-N187 PolarHBondContact O-N 2.91Å
188	K	88.7	Confident	90.5	Very high	152 Å²	152	57.2 Å²	57.2	66%	0.661	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	143.3	174.8	-67.1	-179	-179.7	179.2	0	108.8	D183 T186	D183-K188 PolarHBondContact N-O 2.87Å; T186-K188 PolarHBondContact O-N 2.74Å; T186-K188 VanDerWaalsContact O-N 3.14Å; T186-K188 PolarHBondContact OG1-N 2.9Å
189	Y	90.3	Very high	90.2	Very high	73 Å²	73	61.9 Å²	61.9	29%	0.286	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.8	176.1	59.9	-92.3	0	0	0	111.1	L147 Q148 Y180 V181	L147-Y189 HydrophobicContact CD2-CD1 4.03Å; L147-Y189 HydrophobicContact CD2-CD2 4.34Å; L147-Y189 HydrophobicContact CD2-CE1 4.4Å; L147-Y189 HydrophobicContact CD2-CG 4.01Å; Q148-Y189 WeakPolarHBondContact CG-OH 3.22Å; Q148-Y189 PolarHBondContact N-OH 2.95Å; Y180-Y189 AromaticContact CD1-CD2 3.67Å; Y180-Y189 HydrophobicContact CD1-CD2 3.67Å; Y180-Y189 HydrophobicContact CD1-CE2 4.27Å; Y180-Y189 HydrophobicContact CD1-CG 4.25Å; Y180-Y189 AromaticContact CE1-CD2 3.89Å; Y180-Y189 HydrophobicContact CE1-CD2 3.89Å; Y180-Y189 HydrophobicContact CE1-CE2 4.01Å; V181-Y189 CarbonylContact O-C 3.56Å; V181-Y189 VanDerWaalsContact O-CA 3.22Å; V181-Y189 WeakPolarHBondContact O-CA 3.45Å
190	E	89.9	Confident	90.1	Very high	128 Å²	128	62.8 Å²	62.8	60%	0.598	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.2	164.9	-65.1	-174.5	174.9	0	0	108.1	Y180 V181	Y180-E190 CarbonylContact C-O 3.39Å; Y180-E190 WeakPolarHBondContact CA-O 3.43Å; V181-E190 PolarHBondContact N-O 2.75Å; V181-E190 PolarHBondContact O-N 2.81Å
191	S	90.9	Very high	90.1	Very high	55 Å²	55	62.8 Å²	62.8	39%	0.385	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.6	178.9	71.3	0	0	0	0	111.8	V179 Y180	V179-S191 WeakPolarHBondContact O-CA 3.47Å; Y180-S191 VanDerWaalsContact CE1-CB 3.5Å
192	F	92.7	Very high	90.2	Very high	29 Å²	29	62.3 Å²	62.3	13%	0.127	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	152.3	176.4	62.1	-85.2	0	0	0	110.5	V179 V181 I215 F227 L232	V179-F192 HydrophobicContact CB-CE1 4.05Å; V179-F192 HydrophobicContact CB-CE2 4.02Å; V179-F192 HydrophobicContact CB-CZ 3.61Å; V179-F192 HydrophobicContact CG1-CE1 3.82Å; V179-F192 HydrophobicContact CG1-CE2 4.41Å; V179-F192 HydrophobicContact CG1-CZ 3.54Å; V179-F192 HydrophobicContact CG2-CZ 4.5Å; V179-F192 PolarHBondContact N-O 2.75Å; V179-F192 PolarHBondContact O-N 3.35Å; V181-F192 HydrophobicContact CG2-CE1 4.14Å; F192-I215 HydrophobicContact CE1-CD1 3.92Å; F192-I215 HydrophobicContact CE2-CD1 4.42Å; F192-I215 HydrophobicContact CZ-CD1 3.39Å; F192-F227 HydrophobicContact CD2-CD1 4.18Å; F192-F227 HydrophobicContact CD2-CE1 4.14Å; F192-F227 AromaticContact CE2-CD1 3.81Å; F192-F227 HydrophobicContact CE2-CD1 3.81Å; F192-F227 AromaticContact CE2-CD2 3.9Å; F192-F227 HydrophobicContact CE2-CD2 3.9Å; F192-F227 AromaticContact CE2-CE1 3.94Å; F192-F227 HydrophobicContact CE2-CE1 3.94Å; F192-F227 HydrophobicContact CE2-CE2 4.04Å; F192-F227 AromaticContact CE2-CG 3.81Å; F192-F227 HydrophobicContact CE2-CG 3.81Å; F192-F227 HydrophobicContact CE2-CZ 4.08Å; F192-F227 HydrophobicContact CZ-CD2 4.43Å; F192-F227 HydrophobicContact CZ-CG 4.35Å; F192-L232 HydrophobicContact CD1-CD1 4.14Å; F192-L232 HydrophobicContact CD1-CD2 3.7Å; F192-L232 HydrophobicContact CD1-CG 4.49Å; F192-L232 HydrophobicContact CD2-CD2 4.41Å; F192-L232 HydrophobicContact CE1-CD1 4.4Å; F192-L232 HydrophobicContact CE1-CD2 3.64Å; F192-L232 HydrophobicContact CE2-CD2 4.36Å; F192-L232 HydrophobicContact CG-CD2 4.12Å; F192-L232 HydrophobicContact CZ-CD2 4.01Å
193	A	92.7	Very high	90.4	Very high	37 Å²	37	62.7 Å²	62.7	31%	0.306	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	127.6	176.8	0	0	0	0	0	110.3	M178 P196	M178-A193 HydrophobicContact SD-CB 3.75Å; A193-P196 HydrophobicContact CB-CG 4.12Å
194	V	92.9	Very high	90.7	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.03	32%	0.316	C	S	.	.	S	Bend	trans	-65.7	-42.3	175.8	172.7	0	0	0	0	110.8	G177 V179 V202 A217 R225 F227	G177-V194 PolarHBondContact O-N 2.99Å; V179-V194 HydrophobicContact CB-CG2 4.24Å; V179-V194 HydrophobicContact CG2-CG2 3.41Å; V179-V194 VanDerWaalsContact CG2-CG2 3.41Å; V194-V202 HydrophobicContact CB-CG2 4.14Å; V194-V202 HydrophobicContact CG2-CG1 4.5Å; V194-V202 HydrophobicContact CG2-CG2 3.7Å; V194-A217 HydrophobicContact CG1-CB 4.08Å; V194-A217 HydrophobicContact CG2-CB 3.71Å; V194-R225 HydrophobicContact CG1-CB 4.26Å; V194-R225 HydrophobicContact CG1-CG 4.44Å; V194-R225 WeakPolarHBondContact O-CD 3.1Å; V194-F227 HydrophobicContact CB-CZ 4.3Å; V194-F227 HydrophobicContact CG1-CE2 4.18Å; V194-F227 HydrophobicContact CG1-CZ 4.12Å; V194-F227 HydrophobicContact CG2-CE2 4.29Å; V194-F227 HydrophobicContact CG2-CZ 4.41Å
195	N	90.2	Very high	91	Very high	10 Å²	10	60.8 Å²	60.8	5%	0.053	31%	0.314	C	S	.	.			trans	-143.2	101.5	172.4	-177.9	-6.6	0	0	0	109.9	Q197 S198 K199 D221 R225	N195-Q197 PolarHBondContact O-N 2.65Å; N195-Q197 VanDerWaalsContact O-N 3.11Å; N195-Q197 PolarHBondContact OD1-N 3.48Å; N195-S198 VanDerWaalsContact ND2-CB 3.35Å; N195-S198 WeakPolarHBondContact ND2-CB 3.44Å; N195-S198 PolarHBondContact O-N 2.92Å; N195-S198 PolarHBondContact OD1-N 2.61Å; N195-K199 PolarHBondContact O-N 3.39Å; N195-K199 VanDerWaalsContact O-N 3.13Å; N195-D221 PolarHBondContact ND2-OD2 3.37Å; N195-R225 PolarHBondContact ND2-NH2 2.78Å; N195-R225 VanDerWaalsContact ND2-NH2 3.14Å
196	P	85.4	Confident	91.5	Very high	93 Å²	93	53.7 Å²	53.7	60%	0.604	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25	-179.3	-25.1	33.3	0	0	0	114.8	A193	A193-P196 HydrophobicContact CB-CG 4.12Å
197	Q	85.6	Confident	91.8	Very high	157 Å²	157	50.8 Å²	50.8	73%	0.734	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-46	-176.4	-61.8	179.7	6.6	0	0	112.2	N195	N195-Q197 PolarHBondContact O-N 2.65Å; N195-Q197 VanDerWaalsContact O-N 3.11Å; N195-Q197 PolarHBondContact OD1-N 3.48Å
198	S	84.8	Confident	92.2	Very high	37 Å²	37	47.5 Å²	47.5	26%	0.259	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-34	-175.4	-171.3	0	0	0	0	112.9	N195 A200	N195-S198 VanDerWaalsContact ND2-CB 3.35Å; N195-S198 WeakPolarHBondContact ND2-CB 3.44Å; N195-S198 PolarHBondContact O-N 2.92Å; N195-S198 PolarHBondContact OD1-N 2.61Å; S198-A200 PolarHBondContact O-N 3.18Å; S198-A200 WeakPolarHBondContact OG-CB 3.43Å
199	K	87.7	Confident	92.3	Very high	141 Å²	141	41 Å²	41	61%	0.613	22%	0.218	S	C	*	.			trans	48.5	22.7	-171.2	-57.6	-176.4	179.5	-178.7	0	114.3	K176 G177 N195	K176-K199 CarbonylContact C-O 3.51Å; K176-K199 WeakPolarHBondContact CA-O 3.29Å; G177-K199 PolarHBondContact N-O 2.94Å; N195-K199 PolarHBondContact O-N 3.39Å; N195-K199 VanDerWaalsContact O-N 3.13Å
200	A	92.4	Very high	91.9	Very high	21 Å²	21	43.8 Å²	43.8	17%	0.174	23%	0.228	C	C	.	.			trans	-74.1	144.9	-179.9	0	0	0	0	0	110.2	G177 S198 S219 D220 D221	G177-A200 WeakPolarHBondContact CA-O 3.18Å; G177-A200 PolarHBondContact N-O 3.23Å; S198-A200 PolarHBondContact O-N 3.18Å; S198-A200 WeakPolarHBondContact OG-CB 3.43Å; A200-S219 PolarHBondContact O-OG 3.26Å; A200-S219 VanDerWaalsContact O-OG 3.07Å; A200-D220 HydrophobicContact CB-CB 4.12Å; A200-D221 HydrophobicContact CB-CB 3.96Å
201	D	94.6	Very high	91.6	Very high	14 Å²	14	41.7 Å²	41.7	8%	0.075	23%	0.228	C	C	.	.			trans	-56.6	147.2	-173.2	-75.5	10.2	0	0	0	113.7	F158 N175 K176 S219 D220 E525	F158-D201 HydrophobicContact CD2-CB 4.48Å; F158-D201 HydrophobicContact CE2-CB 3.84Å; F158-D201 WeakPolarHBondContact CE2-OD2 3.46Å; F158-D201 HydrophobicContact CZ-CB 4.43Å; F158-D201 WeakPolarHBondContact CZ-OD2 3.12Å; N175-D201 VanDerWaalsContact CA-CG 3.45Å; N175-D201 WeakPolarHBondContact CA-OD1 3.45Å; N175-D201 WeakPolarHBondContact CB-OD1 3.42Å; N175-D201 VanDerWaalsContact CB-OD2 3.28Å; N175-D201 WeakPolarHBondContact CB-OD2 3.24Å; K176-D201 PolarHBondContact N-OD1 2.93Å; D201-S219 CarbonylContact O-C 3.22Å; D201-S219 WeakPolarHBondContact O-CA 3.43Å; D201-S219 PolarHBondContact O-OG 3.38Å; D201-S219 VanDerWaalsContact O-OG 3.07Å; D201-D220 PolarHBondContact O-N 2.82Å; D201-E525 VanDerWaalsContact OD2-OE2 3.12Å
202	V	96.9	Very high	91.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	91.5	178.8	-171.4	0	0	0	0	108.8	G173 H174 V179 V194 A204 V205 A217	G173-V202 CarbonylContact C-O 3.53Å; H174-V202 PolarHBondContact O-N 3.17Å; V179-V202 HydrophobicContact CG2-CB 4.42Å; V179-V202 HydrophobicContact CG2-CG1 3.9Å; V179-V202 HydrophobicContact CG2-CG2 4.24Å; V194-V202 HydrophobicContact CB-CG2 4.14Å; V194-V202 HydrophobicContact CG2-CG1 4.5Å; V194-V202 HydrophobicContact CG2-CG2 3.7Å; V202-A204 VanDerWaalsContact C-N 3.33Å; V202-A204 PolarHBondContact O-N 3.48Å; V202-V205 HydrophobicContact CG1-CG1 3.76Å; V202-A217 HydrophobicContact CG1-CB 4Å
203	N	97.5	Very high	91.1	Very high	8 Å²	8	40 Å²	40	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-22.9	-175.7	-72.3	-37.4	0	0	0	114.3	S159 G218 D220 I247 L332	S159-N203 WeakPolarHBondContact CB-O 3.28Å; N203-G218 PolarHBondContact N-O 3.01Å; N203-G218 VanDerWaalsContact N-O 3.13Å; N203-D220 PolarHBondContact ND2-OD1 2.88Å; N203-D220 PolarHBondContact ND2-OD2 3.18Å; N203-I247 WeakPolarHBondContact CB-O 3.25Å; N203-I247 PolarHBondContact ND2-O 3.35Å; N203-L332 HydrophobicContact CB-CD1 4.03Å
204	A	98.1	Very high	91.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	131.5	-174	0	0	0	0	0	111.2	V202 G218 L250	V202-A204 VanDerWaalsContact C-N 3.33Å; V202-A204 PolarHBondContact O-N 3.48Å; A204-G218 PolarHBondContact N-O 3.49Å; A204-G218 PolarHBondContact O-N 3.33Å; A204-L250 HydrophobicContact CB-CB 4.27Å; A204-L250 HydrophobicContact CB-CD1 4.31Å; A204-L250 HydrophobicContact CB-CG 3.92Å
205	V	97.8	Very high	91.3	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.03	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.5	169.8	-66.7	0	0	0	0	109.5	S159 I171 V179 V202 L216 A217	S159-V205 PolarHBondContact OG-N 2.72Å; S159-V205 VanDerWaalsContact OG-N 3.13Å; I171-V205 HydrophobicContact CD1-CB 4.04Å; I171-V205 HydrophobicContact CD1-CG2 4.31Å; I171-V205 HydrophobicContact CG1-CB 4.25Å; I171-V205 HydrophobicContact CG1-CG2 3.99Å; V179-V205 HydrophobicContact CG1-CG1 4.49Å; V179-V205 HydrophobicContact CG2-CG1 3.85Å; V202-V205 HydrophobicContact CG1-CG1 3.76Å; V205-L216 VanDerWaalsContact CA-O 3.3Å; V205-L216 WeakPolarHBondContact CA-O 3.12Å; V205-A217 HydrophobicContact CG1-CB 4.4Å
206	T	97	Very high	91.6	Very high	13 Å²	13	39.1 Å²	39.1	8%	0.08	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	165.8	169.9	-168.2	0	0	0	0	110.6	D161 L216 L250	D161-T206 VanDerWaalsContact OD2-CA 3.27Å; D161-T206 WeakPolarHBondContact OD2-CA 3.41Å; D161-T206 PolarHBondContact OD2-OG1 2.96Å; T206-L216 HydrophobicContact CG2-CB 4.11Å; T206-L216 HydrophobicContact CG2-CD1 4.13Å; T206-L216 PolarHBondContact N-O 3.07Å; T206-L216 PolarHBondContact O-N 3.45Å; T206-L250 HydrophobicContact CG2-CB 3.65Å; T206-L250 HydrophobicContact CG2-CD1 4.49Å
207	T	95.7	Very high	92.2	Very high	11 Å²	11	34.8 Å²	34.8	7%	0.067	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	148	173.2	56.7	0	0	0	0	110.9	D161 F162 L163 I171 D209 I214 I215 S252	D161-T207 PolarHBondContact OD2-N 2.86Å; F162-T207 WeakPolarHBondContact O-CG2 3.48Å; L163-T207 HydrophobicContact CD1-CG2 3.84Å; I171-T207 HydrophobicContact CD1-CG2 3.92Å; T207-D209 VanDerWaalsContact C-N 3.33Å; T207-I214 WeakPolarHBondContact CA-O 3.35Å; T207-I215 HydrophobicContact CG2-CG2 4.19Å; T207-S252 WeakPolarHBondContact O-CB 3.47Å
208	L	94.7	Very high	92.8	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.042	15%	0.146	C	C	.	.	S	Bend	trans	-73.1	-29	-175.7	-175.2	67.3	0	0	0	112.4	I214 L216 L226 S252 N256 F259 T273	L208-I214 HydrophobicContact CB-CB 3.96Å; L208-I214 HydrophobicContact CB-CG2 3.88Å; L208-I214 HydrophobicContact CD2-CB 4.27Å; L208-I214 HydrophobicContact CD2-CG2 3.86Å; L208-I214 PolarHBondContact N-O 2.61Å; L208-L216 HydrophobicContact CD1-CD1 3.97Å; L208-L226 HydrophobicContact CD2-CD1 4.43Å; L208-S252 PolarHBondContact O-OG 2.95Å; L208-N256 HydrophobicContact CD2-CB 4.4Å; L208-F259 HydrophobicContact CD1-CD1 4.35Å; L208-T273 HydrophobicContact CD1-CG2 3.57Å; L208-T273 HydrophobicContact CD2-CG2 3.9Å; L208-T273 HydrophobicContact CG-CG2 4.38Å
209	D	89.9	Confident	93.3	Very high	15 Å²	15	25.6 Å²	25.6	8%	0.08	13%	0.134	C	C	.	.	S	Bend	trans	-152.2	168.8	164.1	84.9	11.3	0	0	0	109.8	T207 S211 S212 N256	T207-D209 VanDerWaalsContact C-N 3.33Å; D209-S211 PolarHBondContact O-N 3.4Å; D209-S211 VanDerWaalsContact OD1-CA 3.23Å; D209-S211 WeakPolarHBondContact OD1-CA 3.34Å; D209-S211 PolarHBondContact OD1-N 2.7Å; D209-S211 PolarHBondContact OD1-OG 3.18Å; D209-S211 PolarHBondContact OD2-OG 2.89Å; D209-S211 VanDerWaalsContact OD2-OG 3.13Å; D209-S212 PolarHBondContact N-OG 3.32Å; D209-S212 PolarHBondContact O-N 2.9Å; D209-S212 PolarHBondContact O-OG 2.59Å; D209-S212 VanDerWaalsContact OD1-CA 3.29Å; D209-S212 WeakPolarHBondContact OD1-CA 3.48Å; D209-S212 WeakPolarHBondContact OD1-CB 3.44Å; D209-S212 PolarHBondContact OD1-N 2.95Å; D209-S212 PolarHBondContact OD1-OG 2.81Å; D209-N256 WeakPolarHBondContact CB-OD1 3.5Å; D209-N256 PolarHBondContact OD2-ND2 2.55Å; D209-N256 PolarHBondContact OD2-OD1 2.82Å
210	R	83.6	Confident	93.7	Very high	132 Å²	132	20 Å²	20	50%	0.498	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-6.4	179.5	-61.2	-171.2	-174.6	-146.4	-2.9	116.5	N113 G164 G165 D254	N113-R210 PolarHBondContact ND2-O 3.32Å; N113-R210 VanDerWaalsContact ND2-O 3.08Å; G164-R210 CarbonylContact C-O 3.56Å; G165-R210 WeakPolarHBondContact CA-O 3.4Å; G165-R210 PolarHBondContact N-O 2.89Å; R210-D254 IonicContact CZ-OD2 2.72Å; R210-D254 IonicContact NE-OD2 2.82Å; R210-D254 PolarHBondContact NE-OD2 3.44Å; R210-D254 VanDerWaalsContact NE-OD2 3.12Å; R210-D254 IonicContact NH2-OD2 3.84Å
211	S	83.5	Confident	93.7	Very high	85 Å²	85	19 Å²	19	59%	0.594	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121	-5.2	179.7	70	0	0	0	0	113.7	D209	D209-S211 PolarHBondContact O-N 3.4Å; D209-S211 VanDerWaalsContact OD1-CA 3.23Å; D209-S211 WeakPolarHBondContact OD1-CA 3.34Å; D209-S211 PolarHBondContact OD1-N 2.7Å; D209-S211 PolarHBondContact OD1-OG 3.18Å; D209-S211 PolarHBondContact OD2-OG 2.89Å; D209-S211 VanDerWaalsContact OD2-OG 3.13Å
212	S	81.6	Confident	93.5	Very high	11 Å²	11	18.3 Å²	18.3	8%	0.077	10%	0.1	C	C	.	.			trans	-90.6	141.8	-164.7	66.7	0	0	0	0	110.7	G164 D209 I214	G164-S212 WeakPolarHBondContact CA-O 3.41Å; D209-S212 PolarHBondContact N-OG 3.32Å; D209-S212 PolarHBondContact O-N 2.9Å; D209-S212 PolarHBondContact O-OG 2.59Å; D209-S212 VanDerWaalsContact OD1-CA 3.29Å; D209-S212 WeakPolarHBondContact OD1-CA 3.48Å; D209-S212 WeakPolarHBondContact OD1-CB 3.44Å; D209-S212 PolarHBondContact OD1-N 2.95Å; D209-S212 PolarHBondContact OD1-OG 2.81Å; S212-I214 PolarHBondContact O-N 2.81Å; S212-I214 PolarHBondContact OG-O 2.93Å
213	S	90.2	Very high	93.4	Very high	36 Å²	36	18.4 Å²	18.4	25%	0.252	10%	0.1	S	C	.	.	S	Bend	trans	-82.5	17.1	164.7	-45.7	0	0	0	0	112	I229	S213-I229 PolarHBondContact O-N 3.43Å
214	I	94.4	Very high	93.4	Very high	29 Å²	29	18 Å²	18	15%	0.149	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.4	-174.1	-56	-57.5	0	0	0	108.9	T207 L208 S212 L226 F227 D228	T207-I214 WeakPolarHBondContact CA-O 3.35Å; L208-I214 HydrophobicContact CB-CB 3.96Å; L208-I214 HydrophobicContact CB-CG2 3.88Å; L208-I214 HydrophobicContact CD2-CB 4.27Å; L208-I214 HydrophobicContact CD2-CG2 3.86Å; L208-I214 PolarHBondContact N-O 2.61Å; S212-I214 PolarHBondContact O-N 2.81Å; S212-I214 PolarHBondContact OG-O 2.93Å; I214-L226 HydrophobicContact CG2-CD1 3.7Å; I214-L226 HydrophobicContact CG2-CD2 3.57Å; I214-L226 HydrophobicContact CG2-CG 3.44Å; I214-L226 VanDerWaalsContact CG2-CG 3.44Å; I214-F227 WeakPolarHBondContact CA-O 3.44Å; I214-D228 HydrophobicContact CD1-CB 3.51Å; I214-D228 VanDerWaalsContact CD1-CG 3.49Å
215	I	95.6	Very high	93.3	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.4	-176.3	54.2	174.5	0	0	0	110.5	L163 I171 F192 T207 L226 F227 I229	L163-I215 HydrophobicContact CD1-CG2 3.79Å; I171-I215 HydrophobicContact CD1-CB 4.21Å; I171-I215 HydrophobicContact CD1-CG2 3.74Å; I171-I215 HydrophobicContact CG2-CG2 4.06Å; F192-I215 HydrophobicContact CE1-CD1 3.92Å; F192-I215 HydrophobicContact CE2-CD1 4.42Å; F192-I215 HydrophobicContact CZ-CD1 3.39Å; T207-I215 HydrophobicContact CG2-CG2 4.19Å; I215-L226 CarbonylContact O-C 3.5Å; I215-L226 VanDerWaalsContact O-CA 3.29Å; I215-L226 WeakPolarHBondContact O-CA 3.38Å; I215-F227 HydrophobicContact CD1-CB 3.99Å; I215-F227 HydrophobicContact CG1-CB 3.7Å; I215-F227 HydrophobicContact CG1-CD2 4.42Å; I215-F227 WeakPolarHBondContact CG1-O 3.36Å; I215-F227 PolarHBondContact N-O 3.31Å; I215-F227 PolarHBondContact O-N 3.42Å; I215-I229 HydrophobicContact CD1-CD1 4.32Å; I215-I229 HydrophobicContact CD1-CG1 3.92Å; I215-I229 HydrophobicContact CG1-CG1 4.23Å; I215-I229 HydrophobicContact CG2-CD1 3.79Å; I215-I229 HydrophobicContact CG2-CG1 4.19Å
216	L	97.6	Very high	93.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.5	174.4	-62.5	172.1	0	0	0	108.7	V205 T206 L208 V224 R225 L226 F240 L250 F259	V205-L216 VanDerWaalsContact CA-O 3.3Å; V205-L216 WeakPolarHBondContact CA-O 3.12Å; T206-L216 HydrophobicContact CG2-CB 4.11Å; T206-L216 HydrophobicContact CG2-CD1 4.13Å; T206-L216 PolarHBondContact N-O 3.07Å; T206-L216 PolarHBondContact O-N 3.45Å; L208-L216 HydrophobicContact CD1-CD1 3.97Å; L216-V224 HydrophobicContact CB-CG1 4.39Å; L216-V224 HydrophobicContact CD2-CG1 4.45Å; L216-R225 CarbonylContact C-O 3.45Å; L216-R225 WeakPolarHBondContact CA-O 3.19Å; L216-L226 HydrophobicContact CD2-CB 3.82Å; L216-L226 HydrophobicContact CD2-CD1 3.99Å; L216-L226 HydrophobicContact CD2-CG 4.05Å; L216-F240 HydrophobicContact CD2-CE2 4.25Å; L216-L250 HydrophobicContact CB-CD1 3.87Å; L216-F259 HydrophobicContact CD1-CB 3.82Å; L216-F259 HydrophobicContact CD1-CD1 3.74Å; L216-F259 HydrophobicContact CD1-CD2 3.81Å; L216-F259 HydrophobicContact CD1-CE1 4.23Å; L216-F259 HydrophobicContact CD1-CE2 4.3Å; L216-F259 HydrophobicContact CD1-CG 3.51Å; L216-F259 HydrophobicContact CD1-CZ 4.49Å; L216-F259 HydrophobicContact CD2-CD1 4.42Å; L216-F259 HydrophobicContact CD2-CE1 4.15Å; L216-F259 HydrophobicContact CD2-CZ 4.32Å
217	A	98	Very high	93.2	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.017	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.8	176	0	0	0	0	0	109.9	V179 V194 V202 V205 V224 R225 F227	V179-A217 HydrophobicContact CG2-CB 4.12Å; V194-A217 HydrophobicContact CG1-CB 4.08Å; V194-A217 HydrophobicContact CG2-CB 3.71Å; V202-A217 HydrophobicContact CG1-CB 4Å; V205-A217 HydrophobicContact CG1-CB 4.4Å; A217-V224 CarbonylContact O-C 3.59Å; A217-V224 WeakPolarHBondContact O-CA 3.26Å; A217-R225 PolarHBondContact N-O 3.12Å; A217-R225 PolarHBondContact O-N 3.19Å; A217-F227 HydrophobicContact CB-CE2 4.24Å
218	G	97.6	Very high	93	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122	177.9	0	0	0	0	0	109.9	N203 A204	N203-G218 PolarHBondContact N-O 3.01Å; N203-G218 VanDerWaalsContact N-O 3.13Å; A204-G218 PolarHBondContact N-O 3.49Å; A204-G218 PolarHBondContact O-N 3.33Å
219	S	96.1	Very high	92.9	Very high	1 Å²	1	20 Å²	20	1%	0.007	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	161.5	-173.1	178.1	0	0	0	0	112.6	A200 D201 D221 T222 N223 I247	A200-S219 PolarHBondContact O-OG 3.26Å; A200-S219 VanDerWaalsContact O-OG 3.07Å; D201-S219 CarbonylContact O-C 3.22Å; D201-S219 WeakPolarHBondContact O-CA 3.43Å; D201-S219 PolarHBondContact O-OG 3.38Å; D201-S219 VanDerWaalsContact O-OG 3.07Å; S219-D221 PolarHBondContact O-N 3.06Å; S219-D221 PolarHBondContact OG-N 2.76Å; S219-T222 PolarHBondContact O-N 3.11Å; S219-N223 PolarHBondContact N-O 3.09Å; S219-N223 VanDerWaalsContact N-O 3.15Å; S219-I247 WeakPolarHBondContact O-CG1 3.29Å; S219-I247 PolarHBondContact O-N 3.36Å; S219-I247 VanDerWaalsContact O-N 3.08Å
220	D	94.5	Very high	92.9	Very high	23 Å²	23	28.1 Å²	28.1	12%	0.123	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-9.1	165.6	-85.6	-27.6	0	0	0	114.3	A200 D201 N203 T222 G246 K264	A200-D220 HydrophobicContact CB-CB 4.12Å; D201-D220 PolarHBondContact O-N 2.82Å; N203-D220 PolarHBondContact ND2-OD1 2.88Å; N203-D220 PolarHBondContact ND2-OD2 3.18Å; D220-T222 PolarHBondContact O-N 3.06Å; D220-T222 VanDerWaalsContact O-N 3.07Å; D220-G246 WeakPolarHBondContact OD1-CA 3.26Å; D220-K264 VanDerWaalsContact OD1-CE 3.31Å; D220-K264 WeakPolarHBondContact OD1-CE 3.41Å; D220-K264 IonicContact OD1-NZ 3.99Å; D220-K264 PolarHBondContact OD1-NZ 2.83Å; D220-K264 IonicContact OD2-NZ 2.63Å; D220-K264 PolarHBondContact OD2-NZ 2.82Å
221	D	92.3	Very high	93.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	7.8	169.6	88.3	-6.3	0	0	0	114.5	N195 A200 S219 N223 R225 M285	N195-D221 PolarHBondContact ND2-OD2 3.37Å; A200-D221 HydrophobicContact CB-CB 3.96Å; S219-D221 PolarHBondContact O-N 3.06Å; S219-D221 PolarHBondContact OG-N 2.76Å; D221-N223 VanDerWaalsContact C-N 3.31Å; D221-N223 PolarHBondContact O-N 2.98Å; D221-N223 PolarHBondContact O-ND2 3.4Å; D221-N223 WeakPolarHBondContact OD1-CB 3.49Å; D221-N223 PolarHBondContact OD1-N 2.78Å; D221-N223 PolarHBondContact OD1-ND2 2.57Å; D221-N223 VanDerWaalsContact OD1-ND2 3.14Å; D221-R225 VanDerWaalsContact CG-NH1 3.33Å; D221-R225 IonicContact OD1-NH1 3.26Å; D221-R225 PolarHBondContact OD1-NH1 3.06Å; D221-R225 IonicContact OD2-CZ 2.93Å; D221-R225 VanDerWaalsContact OD2-CZ 3.23Å; D221-R225 IonicContact OD2-NH1 3.82Å; D221-R225 PolarHBondContact OD2-NH1 2.75Å; D221-R225 IonicContact OD2-NH2 3.93Å; D221-R225 PolarHBondContact OD2-NH2 3.05Å; D221-M285 WeakPolarHBondContact CA-O 3.24Å; D221-M285 HydrophobicContact CB-CB 4.5Å; D221-M285 WeakPolarHBondContact CB-O 3.07Å; D221-M285 CarbonylContact O-C 3.49Å; D221-M285 VanDerWaalsContact O-CA 3.29Å; D221-M285 WeakPolarHBondContact O-CA 3.47Å
222	T	92	Very high	93.5	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	10%	0.098	C	C	.	.	S	Bend	trans	76.2	0.3	179.4	77.3	0	0	0	0	116	S219 D220 H243	S219-T222 PolarHBondContact O-N 3.11Å; D220-T222 PolarHBondContact O-N 3.06Å; D220-T222 VanDerWaalsContact O-N 3.07Å; T222-H243 WeakPolarHBondContact O-CB 3.36Å
223	N	94.1	Very high	93.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	159.3	-177.7	-51.6	-87.6	0	0	0	112.6	S219 D221 L239 S241 R284	S219-N223 PolarHBondContact N-O 3.09Å; S219-N223 VanDerWaalsContact N-O 3.15Å; D221-N223 VanDerWaalsContact C-N 3.31Å; D221-N223 PolarHBondContact O-N 2.98Å; D221-N223 PolarHBondContact O-ND2 3.4Å; D221-N223 WeakPolarHBondContact OD1-CB 3.49Å; D221-N223 PolarHBondContact OD1-N 2.78Å; D221-N223 PolarHBondContact OD1-ND2 2.57Å; D221-N223 VanDerWaalsContact OD1-ND2 3.14Å; N223-L239 HydrophobicContact CB-CD1 3.7Å; N223-S241 VanDerWaalsContact OD1-CB 3.26Å; N223-S241 WeakPolarHBondContact OD1-CB 3.43Å; N223-R284 PolarHBondContact ND2-O 2.94Å
224	V	96.8	Very high	93.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.6	164.7	-175.4	0	0	0	0	108.2	L216 A217 F240 I247 L250 F259	L216-V224 HydrophobicContact CB-CG1 4.39Å; L216-V224 HydrophobicContact CD2-CG1 4.45Å; A217-V224 CarbonylContact O-C 3.59Å; A217-V224 WeakPolarHBondContact O-CA 3.26Å; V224-F240 HydrophobicContact CB-CB 4.16Å; V224-F240 HydrophobicContact CB-CD2 4.32Å; V224-F240 HydrophobicContact CG1-CD2 4.34Å; V224-F240 PolarHBondContact N-O 3.36Å; V224-F240 VanDerWaalsContact N-O 3.08Å; V224-F240 PolarHBondContact O-N 2.86Å; V224-I247 HydrophobicContact CG2-CD1 3.97Å; V224-I247 HydrophobicContact CG2-CG1 3.9Å; V224-I247 HydrophobicContact CG2-CG2 4.41Å; V224-L250 HydrophobicContact CG1-CD1 3.98Å; V224-L250 HydrophobicContact CG1-CD2 3.91Å; V224-L250 HydrophobicContact CG2-CD2 3.75Å; V224-F259 HydrophobicContact CB-CE2 4.33Å; V224-F259 HydrophobicContact CG1-CE2 3.83Å; V224-F259 HydrophobicContact CG1-CZ 4.08Å; V224-F259 HydrophobicContact CG2-CE2 4.48Å
225	R	96.4	Very high	93.4	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.1	177.4	-73.1	-177.8	-178.3	76	-1.5	110.8	V194 N195 L216 A217 D221 F227 S238 L239 E282	V194-R225 HydrophobicContact CG1-CB 4.26Å; V194-R225 HydrophobicContact CG1-CG 4.44Å; V194-R225 WeakPolarHBondContact O-CD 3.1Å; N195-R225 PolarHBondContact ND2-NH2 2.78Å; N195-R225 VanDerWaalsContact ND2-NH2 3.14Å; L216-R225 CarbonylContact C-O 3.45Å; L216-R225 WeakPolarHBondContact CA-O 3.19Å; A217-R225 PolarHBondContact N-O 3.12Å; A217-R225 PolarHBondContact O-N 3.19Å; D221-R225 VanDerWaalsContact CG-NH1 3.33Å; D221-R225 IonicContact OD1-NH1 3.26Å; D221-R225 PolarHBondContact OD1-NH1 3.06Å; D221-R225 IonicContact OD2-CZ 2.93Å; D221-R225 VanDerWaalsContact OD2-CZ 3.23Å; D221-R225 IonicContact OD2-NH1 3.82Å; D221-R225 PolarHBondContact OD2-NH1 2.75Å; D221-R225 IonicContact OD2-NH2 3.93Å; D221-R225 PolarHBondContact OD2-NH2 3.05Å; R225-F227 HydrophobicContact CB-CD2 4.45Å; R225-F227 HydrophobicContact CB-CE2 3.54Å; R225-F227 HydrophobicContact CB-CZ 3.84Å; R225-S238 WeakPolarHBondContact CA-O 3.49Å; R225-L239 HydrophobicContact CG-CD1 3.79Å; R225-E282 IonicContact CZ-OE1 2.78Å; R225-E282 IonicContact NE-OE1 3.36Å; R225-E282 IonicContact NH2-OE1 3.23Å; R225-E282 PolarHBondContact NH2-OE1 3.1Å; R225-E282 VanDerWaalsContact NH2-OE1 3.08Å
226	L	96.3	Very high	93.3	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.079	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.2	176.8	-178.8	160.1	0	0	0	109.8	L208 I214 I215 L216 Q237 S238 F240 T273	L208-L226 HydrophobicContact CD2-CD1 4.43Å; I214-L226 HydrophobicContact CG2-CD1 3.7Å; I214-L226 HydrophobicContact CG2-CD2 3.57Å; I214-L226 HydrophobicContact CG2-CG 3.44Å; I214-L226 VanDerWaalsContact CG2-CG 3.44Å; I215-L226 CarbonylContact O-C 3.5Å; I215-L226 VanDerWaalsContact O-CA 3.29Å; I215-L226 WeakPolarHBondContact O-CA 3.38Å; L216-L226 HydrophobicContact CD2-CB 3.82Å; L216-L226 HydrophobicContact CD2-CD1 3.99Å; L216-L226 HydrophobicContact CD2-CG 4.05Å; L226-Q237 HydrophobicContact CD2-CB 3.93Å; L226-Q237 PolarHBondContact O-N 3.04Å; L226-S238 PolarHBondContact N-O 2.96Å; L226-S238 PolarHBondContact O-N 3.42Å; L226-F240 HydrophobicContact CB-CE2 3.97Å; L226-F240 HydrophobicContact CD1-CE2 4.33Å; L226-F240 HydrophobicContact CD1-CZ 4.39Å; L226-T273 HydrophobicContact CD1-CG2 4.29Å
227	F	95.7	Very high	93.1	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147	175.2	-51.9	-100.2	0	0	0	109.7	F192 V194 I214 I215 A217 R225 L232 C236	F192-F227 HydrophobicContact CD2-CD1 4.18Å; F192-F227 HydrophobicContact CD2-CE1 4.14Å; F192-F227 AromaticContact CE2-CD1 3.81Å; F192-F227 HydrophobicContact CE2-CD1 3.81Å; F192-F227 AromaticContact CE2-CD2 3.9Å; F192-F227 HydrophobicContact CE2-CD2 3.9Å; F192-F227 AromaticContact CE2-CE1 3.94Å; F192-F227 HydrophobicContact CE2-CE1 3.94Å; F192-F227 HydrophobicContact CE2-CE2 4.04Å; F192-F227 AromaticContact CE2-CG 3.81Å; F192-F227 HydrophobicContact CE2-CG 3.81Å; F192-F227 HydrophobicContact CE2-CZ 4.08Å; F192-F227 HydrophobicContact CZ-CD2 4.43Å; F192-F227 HydrophobicContact CZ-CG 4.35Å; V194-F227 HydrophobicContact CB-CZ 4.3Å; V194-F227 HydrophobicContact CG1-CE2 4.18Å; V194-F227 HydrophobicContact CG1-CZ 4.12Å; V194-F227 HydrophobicContact CG2-CE2 4.29Å; V194-F227 HydrophobicContact CG2-CZ 4.41Å; I214-F227 WeakPolarHBondContact CA-O 3.44Å; I215-F227 HydrophobicContact CD1-CB 3.99Å; I215-F227 HydrophobicContact CG1-CB 3.7Å; I215-F227 HydrophobicContact CG1-CD2 4.42Å; I215-F227 WeakPolarHBondContact CG1-O 3.36Å; I215-F227 PolarHBondContact N-O 3.31Å; I215-F227 PolarHBondContact O-N 3.42Å; A217-F227 HydrophobicContact CB-CE2 4.24Å; R225-F227 HydrophobicContact CB-CD2 4.45Å; R225-F227 HydrophobicContact CB-CE2 3.54Å; R225-F227 HydrophobicContact CB-CZ 3.84Å; F227-L232 HydrophobicContact CB-CD2 4.26Å; F227-C236 HydrophobicContact CD1-CB 4.28Å; F227-C236 HydrophobicContact CE1-CB 3.65Å; F227-C236 HydrophobicContact CZ-CB 3.97Å
228	D	93.1	Very high	92.9	Very high	26 Å²	26	37.1 Å²	37.1	14%	0.139	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.8	165.4	-173.8	-23.8	0	0	0	107.5	I214 R230 A231 L232 Q237	I214-D228 HydrophobicContact CD1-CB 3.51Å; I214-D228 VanDerWaalsContact CD1-CG 3.49Å; D228-R230 PolarHBondContact O-N 2.86Å; D228-R230 WeakPolarHBondContact OD1-CB 3.2Å; D228-R230 IonicContact OD1-CZ 3.77Å; D228-R230 PolarHBondContact OD1-N 3.01Å; D228-R230 IonicContact OD1-NE 3.37Å; D228-R230 PolarHBondContact OD1-NE 2.86Å; D228-R230 IonicContact OD1-NH2 2.76Å; D228-R230 IonicContact OD2-CZ 3.52Å; D228-R230 IonicContact OD2-NE 3.22Å; D228-R230 PolarHBondContact OD2-NE 2.73Å; D228-R230 IonicContact OD2-NH2 3.69Å; D228-R230 PolarHBondContact OD2-NH2 2.86Å; D228-A231 HydrophobicContact CB-CB 4.35Å; D228-A231 CarbonylContact O-C 3.58Å; D228-A231 VanDerWaalsContact O-C 3.22Å; D228-A231 WeakPolarHBondContact O-CA 3.43Å; D228-A231 PolarHBondContact O-N 3.43Å; D228-L232 PolarHBondContact O-N 2.96Å; D228-L232 VanDerWaalsContact O-N 3.11Å; D228-Q237 HydrophobicContact CB-CG 4.41Å
229	I	91.2	Very high	92.8	Very high	31 Å²	31	37.1 Å²	37.1	16%	0.159	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-61.4	-31	-178.3	-68.5	-179.2	0	0	0	111.6	L163 V181 S213 I215 A231 L232	L163-I229 HydrophobicContact CD1-CD1 3.21Å; L163-I229 HydrophobicContact CD2-CD1 3.37Å; L163-I229 HydrophobicContact CG-CD1 3.9Å; V181-I229 HydrophobicContact CG1-CD1 4.42Å; V181-I229 HydrophobicContact CG2-CD1 4.26Å; S213-I229 PolarHBondContact O-N 3.43Å; I215-I229 HydrophobicContact CD1-CD1 4.32Å; I215-I229 HydrophobicContact CD1-CG1 3.92Å; I215-I229 HydrophobicContact CG1-CG1 4.23Å; I215-I229 HydrophobicContact CG2-CD1 3.79Å; I215-I229 HydrophobicContact CG2-CG1 4.19Å; I229-A231 PolarHBondContact O-N 3.33Å; I229-L232 HydrophobicContact CG2-CD1 4.35Å; I229-L232 WeakPolarHBondContact O-CG 3.21Å
230	R	90.2	Very high	92.7	Very high	186 Å²	186	37.1 Å²	37.1	70%	0.702	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-73	-10.1	178.2	-55.6	167.8	-61.5	178.5	4.2	112.4	D228	D228-R230 PolarHBondContact O-N 2.86Å; D228-R230 WeakPolarHBondContact OD1-CB 3.2Å; D228-R230 IonicContact OD1-CZ 3.77Å; D228-R230 PolarHBondContact OD1-N 3.01Å; D228-R230 IonicContact OD1-NE 3.37Å; D228-R230 PolarHBondContact OD1-NE 2.86Å; D228-R230 IonicContact OD1-NH2 2.76Å; D228-R230 IonicContact OD2-CZ 3.52Å; D228-R230 IonicContact OD2-NE 3.22Å; D228-R230 PolarHBondContact OD2-NE 2.73Å; D228-R230 IonicContact OD2-NH2 3.69Å; D228-R230 PolarHBondContact OD2-NH2 2.86Å
231	A	91.5	Very high	92.6	Very high	13 Å²	13	36.1 Å²	36.1	11%	0.107	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-137.5	34.2	-177.1	0	0	0	0	0	112.2	D228 I229 N233 K234	D228-A231 HydrophobicContact CB-CB 4.35Å; D228-A231 CarbonylContact O-C 3.58Å; D228-A231 VanDerWaalsContact O-C 3.22Å; D228-A231 WeakPolarHBondContact O-CA 3.43Å; D228-A231 PolarHBondContact O-N 3.43Å; I229-A231 PolarHBondContact O-N 3.33Å; A231-N233 PolarHBondContact O-N 2.94Å; A231-N233 VanDerWaalsContact O-N 3.13Å; A231-N233 PolarHBondContact O-OD1 2.83Å; A231-K234 HydrophobicContact CB-CB 4.46Å; A231-K234 HydrophobicContact CB-CD 4.02Å; A231-K234 HydrophobicContact CB-CG 4.2Å; A231-K234 WeakPolarHBondContact O-CB 3.21Å; A231-K234 PolarHBondContact O-N 3.07Å
232	L	89.1	Confident	92.4	Very high	36 Å²	36	36.5 Å²	36.5	19%	0.188	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-54.7	-33	178.7	-71.9	171.2	0	0	0	112.7	F192 F227 D228 I229 K234 G235	F192-L232 HydrophobicContact CD1-CD1 4.14Å; F192-L232 HydrophobicContact CD1-CD2 3.7Å; F192-L232 HydrophobicContact CD1-CG 4.49Å; F192-L232 HydrophobicContact CD2-CD2 4.41Å; F192-L232 HydrophobicContact CE1-CD1 4.4Å; F192-L232 HydrophobicContact CE1-CD2 3.64Å; F192-L232 HydrophobicContact CE2-CD2 4.36Å; F192-L232 HydrophobicContact CG-CD2 4.12Å; F192-L232 HydrophobicContact CZ-CD2 4.01Å; F227-L232 HydrophobicContact CB-CD2 4.26Å; D228-L232 PolarHBondContact O-N 2.96Å; D228-L232 VanDerWaalsContact O-N 3.11Å; I229-L232 HydrophobicContact CG2-CD1 4.35Å; I229-L232 WeakPolarHBondContact O-CG 3.21Å; L232-K234 PolarHBondContact O-N 3.25Å; L232-G235 WeakPolarHBondContact O-CA 3.2Å; L232-G235 PolarHBondContact O-N 3.21Å
233	N	87	Confident	92.4	Very high	148 Å²	148	36.6 Å²	36.6	79%	0.791	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-62.1	-23	175.4	66.6	-24.3	0	0	0	114	A231	A231-N233 PolarHBondContact O-N 2.94Å; A231-N233 VanDerWaalsContact O-N 3.13Å; A231-N233 PolarHBondContact O-OD1 2.83Å
234	K	87.7	Confident	92.2	Very high	152 Å²	152	36.5 Å²	36.5	66%	0.661	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-80.7	-6.1	172.9	-60.8	-172.7	-173.9	174.5	0	112.5	A231 L232 Q237	A231-K234 HydrophobicContact CB-CB 4.46Å; A231-K234 HydrophobicContact CB-CD 4.02Å; A231-K234 HydrophobicContact CB-CG 4.2Å; A231-K234 WeakPolarHBondContact O-CB 3.21Å; A231-K234 PolarHBondContact O-N 3.07Å; L232-K234 PolarHBondContact O-N 3.25Å; K234-Q237 VanDerWaalsContact CB-NE2 3.34Å
235	G	89.9	Confident	91.9	Very high	28 Å²	28	37 Å²	37	29%	0.289	19%	0.186	S	C	.	.			trans	70.8	-154.1	-177.8	0	0	0	0	0	113.1	L232 Q237	L232-G235 WeakPolarHBondContact O-CA 3.2Å; L232-G235 PolarHBondContact O-N 3.21Å; G235-Q237 PolarHBondContact O-N 3.38Å; G235-Q237 PolarHBondContact O-NE2 2.63Å
236	C	92.4	Very high	91.7	Very high	17 Å²	17	36.9 Å²	36.9	12%	0.115	19%	0.186	C	C	.	.			trans	-62.8	126.5	-179.7	173.9	0	0	0	0	111.2	F227 S238 S279	F227-C236 HydrophobicContact CD1-CB 4.28Å; F227-C236 HydrophobicContact CE1-CB 3.65Å; F227-C236 HydrophobicContact CZ-CB 3.97Å; C236-S238 PolarHBondContact SG-O 3.03Å; C236-S279 WeakPolarHBondContact CB-OG 3.16Å; C236-S279 VanDerWaalsContact O-CB 3.29Å; C236-S279 WeakPolarHBondContact O-CB 3.4Å
237	Q	93.1	Very high	91.8	Very high	76 Å²	76	36.2 Å²	36.2	36%	0.355	18%	0.182	S	C	.	.			trans	-89.8	-32.2	-178.8	-60.8	-53.5	-61.9	0	0	112.3	L226 D228 K234 G235	L226-Q237 HydrophobicContact CD2-CB 3.93Å; L226-Q237 PolarHBondContact O-N 3.04Å; D228-Q237 HydrophobicContact CB-CG 4.41Å; K234-Q237 VanDerWaalsContact CB-NE2 3.34Å; G235-Q237 PolarHBondContact O-N 3.38Å; G235-Q237 PolarHBondContact O-NE2 2.63Å
238	S	94.1	Very high	91.9	Very high	19 Å²	19	36 Å²	36	13%	0.133	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	140.7	-176.2	-72.8	0	0	0	0	111.2	R225 L226 C236 C276	R225-S238 WeakPolarHBondContact CA-O 3.49Å; L226-S238 PolarHBondContact N-O 2.96Å; L226-S238 PolarHBondContact O-N 3.42Å; C236-S238 PolarHBondContact SG-O 3.03Å; S238-C276 PolarHBondContact OG-SG 3.43Å
239	L	94.8	Very high	92.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.6	-178.5	178.1	72.3	0	0	0	110.4	N223 R225 R277 E282	N223-L239 HydrophobicContact CB-CD1 3.7Å; R225-L239 HydrophobicContact CG-CD1 3.79Å; L239-R277 HydrophobicContact CB-CB 4.19Å; L239-R277 HydrophobicContact CD2-CB 4.47Å; L239-R277 PolarHBondContact N-O 3.27Å; L239-R277 PolarHBondContact O-N 3.35Å; L239-E282 HydrophobicContact CD1-CG 4.29Å; L239-E282 HydrophobicContact CD2-CB 4.27Å; L239-E282 HydrophobicContact CD2-CG 3.77Å
240	F	95.4	Very high	92.5	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	108.6	175	-53	-83.4	0	0	0	108.9	L216 V224 L226 F259 W271 T273 C276	L216-F240 HydrophobicContact CD2-CE2 4.25Å; V224-F240 HydrophobicContact CB-CB 4.16Å; V224-F240 HydrophobicContact CB-CD2 4.32Å; V224-F240 HydrophobicContact CG1-CD2 4.34Å; V224-F240 PolarHBondContact N-O 3.36Å; V224-F240 VanDerWaalsContact N-O 3.08Å; V224-F240 PolarHBondContact O-N 2.86Å; L226-F240 HydrophobicContact CB-CE2 3.97Å; L226-F240 HydrophobicContact CD1-CE2 4.33Å; L226-F240 HydrophobicContact CD1-CZ 4.39Å; F240-F259 HydrophobicContact CB-CZ 4.3Å; F240-F259 HydrophobicContact CD1-CE1 4.17Å; F240-F259 HydrophobicContact CD1-CZ 4.01Å; F240-F259 HydrophobicContact CD2-CE1 4.02Å; F240-F259 AromaticContact CD2-CZ 3.55Å; F240-F259 HydrophobicContact CD2-CZ 3.55Å; F240-F259 AromaticContact CE1-CE1 3.93Å; F240-F259 HydrophobicContact CE1-CE1 3.93Å; F240-F259 HydrophobicContact CE1-CZ 4.23Å; F240-F259 AromaticContact CE2-CE1 3.75Å; F240-F259 HydrophobicContact CE2-CE1 3.75Å; F240-F259 AromaticContact CE2-CZ 3.77Å; F240-F259 HydrophobicContact CE2-CZ 3.77Å; F240-F259 HydrophobicContact CG-CE1 4.22Å; F240-F259 AromaticContact CG-CZ 3.68Å; F240-F259 HydrophobicContact CG-CZ 3.68Å; F240-F259 AromaticContact CZ-CE1 3.72Å; F240-F259 HydrophobicContact CZ-CE1 3.72Å; F240-F259 HydrophobicContact CZ-CZ 4.13Å; F240-W271 HydrophobicContact CB-CD2 3.99Å; F240-W271 HydrophobicContact CB-CE3 3.73Å; F240-W271 HydrophobicContact CB-CH2 4.39Å; F240-W271 HydrophobicContact CB-CZ3 3.94Å; F240-W271 HydrophobicContact CD1-CB 4.22Å; F240-W271 HydrophobicContact CD1-CD2 4.4Å; F240-W271 HydrophobicContact CD1-CE3 4.02Å; F240-W271 HydrophobicContact CG-CD2 4.48Å; F240-W271 HydrophobicContact CG-CE3 4.3Å; F240-T273 HydrophobicContact CZ-CG2 4.38Å; F240-C276 HydrophobicContact CD1-CB 4.33Å; F240-C276 HydrophobicContact CE1-CB 3.7Å; F240-C276 HydrophobicContact CZ-CB 4Å
241	S	92.2	Very high	92.8	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.1	-174.1	68.5	0	0	0	0	109.8	N223 G316 D317 N318	N223-S241 VanDerWaalsContact OD1-CB 3.26Å; N223-S241 WeakPolarHBondContact OD1-CB 3.43Å; S241-G316 VanDerWaalsContact O-O 3.14Å; S241-G316 PolarHBondContact OG-O 3.13Å; S241-D317 VanDerWaalsContact O-CA 3.27Å; S241-D317 WeakPolarHBondContact O-CA 3.47Å; S241-N318 PolarHBondContact N-OD1 2.59Å; S241-N318 PolarHBondContact O-N 3.42Å; S241-N318 VanDerWaalsContact O-N 3.17Å; S241-N318 PolarHBondContact O-OD1 3.21Å
242	G	88.6	Confident	93.1	Very high	8 Å²	8	26.8 Å²	26.8	8%	0.082	14%	0.144	C	C	.	.			trans	169.7	-23.3	178.7	0	0	0	0	0	113.9	K269	G242-K269 WeakPolarHBondContact O-CE 3.5Å
243	H	91.5	Very high	93.4	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.014	14%	0.144	C	C	.	.			trans	-67.4	157.1	167.8	-77.1	-63.1	0	0	0	111.8	T222 I247 S261 S263 D265 T267 W271	T222-H243 WeakPolarHBondContact O-CB 3.36Å; H243-I247 HydrophobicContact CB-CD1 4.02Å; H243-I247 WeakPolarHBondContact CD2-CD1 3.25Å; H243-S261 PolarHBondContact CD2-OG 3.33Å; H243-S261 VanDerWaalsContact CD2-OG 3.32Å; H243-S261 PolarHBondContact NE2-OG 3.07Å; H243-S263 VanDerWaalsContact CE1-CB 3.43Å; H243-S263 WeakPolarHBondContact CE1-CB 3.37Å; H243-S263 WeakPolarHBondContact ND1-CB 3.18Å; H243-D265 WeakPolarHBondContact CA-OD2 3.41Å; H243-D265 WeakPolarHBondContact CB-OD2 3.21Å; H243-D265 IonicContact CE1-OD1 2.66Å; H243-D265 IonicContact CE1-OD2 3.95Å; H243-D265 IonicContact CG-OD2 2.95Å; H243-D265 VanDerWaalsContact ND1-CG 3.35Å; H243-D265 IonicContact ND1-OD1 3.07Å; H243-D265 PolarHBondContact ND1-OD1 3.22Å; H243-D265 IonicContact ND1-OD2 2.85Å; H243-D265 PolarHBondContact ND1-OD2 2.76Å; H243-T267 PolarHBondContact CE1-OG1 3.26Å; H243-T267 PolarHBondContact ND1-OG1 2.95Å; H243-W271 AromaticContact CD2-CZ2 3.8Å
244	V	89.1	Confident	93.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-105.4	-11.7	-178.6	-174.7	0	0	0	0	112.6	D265 P287 R288 P303 I314	V244-D265 HydrophobicContact CB-CB 4.03Å; V244-D265 PolarHBondContact N-OD2 3.35Å; V244-P287 WeakPolarHBondContact O-CA 3.35Å; V244-R288 HydrophobicContact CG1-CB 3.73Å; V244-R288 HydrophobicContact CG1-CG 3.84Å; V244-P303 HydrophobicContact CG1-CB 4.33Å; V244-P303 HydrophobicContact CG1-CG 3.53Å; V244-I314 HydrophobicContact CG2-CD1 3.18Å; V244-I314 HydrophobicContact CG2-CG1 4.3Å
245	D	90.9	Very high	93.8	Very high	10 Å²	10	18.6 Å²	18.6	5%	0.053	11%	0.105	C	C	.	.	S	Bend	trans	-150.6	174.6	-173.6	-147.5	-34.7	0	0	0	109.1	S263 K264 D265 P287 W291 Y302	D245-S263 PolarHBondContact O-OG 2.95Å; D245-K264 HydrophobicContact CB-CB 3.87Å; D245-D265 HydrophobicContact CB-CB 3.92Å; D245-P287 WeakPolarHBondContact OD1-CG 3.29Å; D245-W291 PolarHBondContact OD2-NE1 3.23Å; D245-W291 VanDerWaalsContact OD2-NE1 3.07Å; D245-Y302 WeakPolarHBondContact CB-OH 3.44Å; D245-Y302 VanDerWaalsContact CG-OH 3.26Å; D245-Y302 PolarHBondContact OD2-OH 3.35Å
246	G	93	Very high	93.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.			trans	-57.4	143.8	-170.5	0	0	0	0	0	114.6	D220 S263 K264	D220-G246 WeakPolarHBondContact OD1-CA 3.26Å; G246-S263 CarbonylContact O-C 3.56Å; G246-S263 VanDerWaalsContact O-CA 3.3Å; G246-S263 WeakPolarHBondContact O-CA 3.43Å; G246-S263 PolarHBondContact O-OG 2.86Å; G246-K264 WeakPolarHBondContact O-CG 3.41Å; G246-K264 PolarHBondContact O-N 2.71Å
247	I	97.3	Very high	94	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	141.2	174.6	-51.8	-57.2	0	0	0	108.7	N203 S219 V224 H243 L250	N203-I247 WeakPolarHBondContact CB-O 3.25Å; N203-I247 PolarHBondContact ND2-O 3.35Å; S219-I247 WeakPolarHBondContact O-CG1 3.29Å; S219-I247 PolarHBondContact O-N 3.36Å; S219-I247 VanDerWaalsContact O-N 3.08Å; V224-I247 HydrophobicContact CG2-CD1 3.97Å; V224-I247 HydrophobicContact CG2-CG1 3.9Å; V224-I247 HydrophobicContact CG2-CG2 4.41Å; H243-I247 HydrophobicContact CB-CD1 4.02Å; H243-I247 WeakPolarHBondContact CD2-CD1 3.25Å; I247-L250 HydrophobicContact CG2-CD2 4.08Å; I247-L250 HydrophobicContact CG2-CG 4.28Å
248	T	97.6	Very high	94.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-26.8	-177	58.4	0	0	0	0	113.4	N262 K264 V328 L332 I333	T248-N262 PolarHBondContact N-O 2.87Å; T248-N262 WeakPolarHBondContact OG1-CB 3.03Å; T248-N262 PolarHBondContact OG1-ND2 2.97Å; T248-N262 PolarHBondContact OG1-O 2.86Å; T248-K264 HydrophobicContact CG2-CG 3.57Å; T248-V328 HydrophobicContact CG2-CG1 3.91Å; T248-L332 HydrophobicContact CG2-CB 4.35Å; T248-L332 HydrophobicContact CG2-CD2 3.71Å; T248-I333 PolarHBondContact OG1-O 3.46Å; T248-I333 VanDerWaalsContact OG1-O 3.1Å
249	Y	98.3	Very high	94.4	Very high	24 Å²	24	19.9 Å²	19.9	9%	0.094	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	155.2	176.1	-156.6	-117.5	0	0	0	111.1	D251 S261 N262 R334 A335 R336	Y249-D251 HydrophobicContact CE1-CB 4.43Å; Y249-S261 WeakPolarHBondContact O-CA 3.46Å; Y249-N262 PolarHBondContact N-O 3.1Å; Y249-N262 PolarHBondContact O-N 3.07Å; Y249-R334 HydrophobicContact CD1-CB 3.68Å; Y249-R334 HydrophobicContact CD1-CG 3.96Å; Y249-R334 HydrophobicContact CD2-CB 4.33Å; Y249-R334 HydrophobicContact CD2-CG 3.67Å; Y249-R334 HydrophobicContact CE1-CB 4.04Å; Y249-R334 HydrophobicContact CE1-CG 4.22Å; Y249-R334 HydrophobicContact CE2-CG 3.99Å; Y249-R334 HydrophobicContact CG-CB 3.83Å; Y249-R334 HydrophobicContact CG-CG 3.66Å; Y249-A335 WeakPolarHBondContact CD1-O 3.22Å; Y249-R336 HydrophobicContact CE1-CG 4.25Å; Y249-R336 PolarHBondContact OH-NH1 2.71Å; Y249-R336 PolarHBondContact OH-NH2 2.66Å; Y249-R336 VanDerWaalsContact OH-NH2 3.16Å
250	L	98.5	Very high	94.6	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.4	173.1	-67.3	175.6	0	0	0	108.6	A204 T206 L216 V224 I247 F259 L260 S261	A204-L250 HydrophobicContact CB-CB 4.27Å; A204-L250 HydrophobicContact CB-CD1 4.31Å; A204-L250 HydrophobicContact CB-CG 3.92Å; T206-L250 HydrophobicContact CG2-CB 3.65Å; T206-L250 HydrophobicContact CG2-CD1 4.49Å; L216-L250 HydrophobicContact CB-CD1 3.87Å; V224-L250 HydrophobicContact CG1-CD1 3.98Å; V224-L250 HydrophobicContact CG1-CD2 3.91Å; V224-L250 HydrophobicContact CG2-CD2 3.75Å; I247-L250 HydrophobicContact CG2-CD2 4.08Å; I247-L250 HydrophobicContact CG2-CG 4.28Å; L250-F259 HydrophobicContact CD2-CD2 4.31Å; L250-F259 HydrophobicContact CD2-CE2 4.28Å; L250-L260 WeakPolarHBondContact CA-O 2.66Å; L250-S261 VanDerWaalsContact CD2-CB 3.49Å
251	D	98	Very high	94.7	Very high	26 Å²	26	19.9 Å²	19.9	14%	0.139	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	126.9	176	-167.8	63.9	0	0	0	108.8	Y249 F259 L260 A335 R336 F337	Y249-D251 HydrophobicContact CE1-CB 4.43Å; D251-F259 CarbonylContact O-C 3.57Å; D251-F259 WeakPolarHBondContact O-CA 3.43Å; D251-F259 WeakPolarHBondContact O-CB 3.41Å; D251-L260 PolarHBondContact N-O 3.21Å; D251-L260 VanDerWaalsContact N-O 3.1Å; D251-L260 PolarHBondContact O-N 3.36Å; D251-A335 WeakPolarHBondContact CB-O 3.41Å; D251-R336 IonicContact OD1-NH1 3.83Å; D251-R336 WeakPolarHBondContact OD2-CA 3.37Å; D251-F337 WeakPolarHBondContact O-CE2 3.34Å; D251-F337 WeakPolarHBondContact OD2-CD2 3.19Å; D251-F337 PolarHBondContact OD2-N 2.66Å
252	S	96.5	Very high	95	Very high	11 Å²	11	19.9 Å²	19.9	8%	0.077	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	148.5	178.8	-173.1	0	0	0	0	111.8	T207 L208 D254	T207-S252 WeakPolarHBondContact O-CB 3.47Å; L208-S252 PolarHBondContact O-OG 2.95Å; S252-D254 PolarHBondContact OG-N 3.04Å; S252-D254 VanDerWaalsContact OG-N 3.14Å
253	K	95.7	Very high	95.3	Very high	43 Å²	43	19.5 Å²	19.5	19%	0.187	10%	0.098	C	C	.	.			trans	-79.1	-5.9	170.4	-157.4	179.2	158.7	-61.1	0	112.8	D255 Y258 F337 Q345	K253-D255 VanDerWaalsContact CD-OD2 3.26Å; K253-D255 WeakPolarHBondContact CD-OD2 3.3Å; K253-D255 WeakPolarHBondContact CE-OD2 3.28Å; K253-D255 IonicContact NZ-OD2 3.46Å; K253-D255 PolarHBondContact NZ-OD2 3.31Å; K253-D255 PolarHBondContact O-N 3.12Å; K253-Y258 WeakPolarHBondContact CB-O 3.4Å; K253-Y258 HydrophobicContact CD-CD2 4.32Å; K253-Y258 HydrophobicContact CD-CG 4.46Å; K253-Y258 PolarHBondContact N-O 2.92Å; K253-F337 HydrophobicContact CB-CD2 4.08Å; K253-F337 HydrophobicContact CB-CE1 4.11Å; K253-F337 HydrophobicContact CB-CE2 3.61Å; K253-F337 HydrophobicContact CB-CZ 3.61Å; K253-F337 HydrophobicContact CD-CD1 4.35Å; K253-F337 HydrophobicContact CD-CE1 3.84Å; K253-F337 HydrophobicContact CD-CZ 4.09Å; K253-F337 HydrophobicContact CG-CD1 4.02Å; K253-F337 HydrophobicContact CG-CD2 4.34Å; K253-F337 HydrophobicContact CG-CE1 3.82Å; K253-F337 HydrophobicContact CG-CE2 4.15Å; K253-F337 HydrophobicContact CG-CG 4.27Å; K253-F337 HydrophobicContact CG-CZ 3.87Å; K253-Q345 PolarHBondContact O-NE2 2.94Å; K253-Q345 PolarHBondContact O-OE1 2.83Å
254	D	92.9	Very high	95.4	Very high	70 Å²	70	20.1 Å²	20.1	37%	0.374	10%	0.101	S	C	.	.	S	Bend	trans	60.7	26.9	-174.9	-74.7	-24.5	0	0	0	113.9	R210 S252	R210-D254 IonicContact CZ-OD2 2.72Å; R210-D254 IonicContact NE-OD2 2.82Å; R210-D254 PolarHBondContact NE-OD2 3.44Å; R210-D254 VanDerWaalsContact NE-OD2 3.12Å; R210-D254 IonicContact NH2-OD2 3.84Å; S252-D254 PolarHBondContact OG-N 3.04Å; S252-D254 VanDerWaalsContact OG-N 3.14Å
255	D	91.2	Very high	95.4	Very high	50 Å²	50	20.1 Å²	20.1	27%	0.267	10%	0.101	S	C	.	.	S	Bend	trans	-120.2	9.8	178.7	68.5	9.7	0	0	0	114.7	K253 V257 Y258	K253-D255 VanDerWaalsContact CD-OD2 3.26Å; K253-D255 WeakPolarHBondContact CD-OD2 3.3Å; K253-D255 WeakPolarHBondContact CE-OD2 3.28Å; K253-D255 IonicContact NZ-OD2 3.46Å; K253-D255 PolarHBondContact NZ-OD2 3.31Å; K253-D255 PolarHBondContact O-N 3.12Å; D255-V257 WeakPolarHBondContact O-CG2 3.45Å; D255-V257 PolarHBondContact O-N 3.02Å; D255-V257 WeakPolarHBondContact OD1-CA 3.48Å; D255-V257 PolarHBondContact OD1-N 3.31Å; D255-Y258 PolarHBondContact OD1-N 3.22Å
256	N	91.2	Very high	95.5	Very high	70 Å²	70	20.1 Å²	20.1	37%	0.374	10%	0.1	S	C	.	.	S	Bend	trans	60.4	0.8	-173.3	-69.1	-49.1	0	0	0	116.4	L208 D209 T273	L208-N256 HydrophobicContact CD2-CB 4.4Å; D209-N256 WeakPolarHBondContact CB-OD1 3.5Å; D209-N256 PolarHBondContact OD2-ND2 2.55Å; D209-N256 PolarHBondContact OD2-OD1 2.82Å; N256-T273 PolarHBondContact O-OG1 3.06Å
257	V	94.5	Very high	95.4	Very high	33 Å²	33	20.1 Å²	20.1	20%	0.2	10%	0.101	C	C	.	.	S	Bend	trans	-115	-45.7	-173.2	-178.1	0	0	0	0	110.8	D255 D272 T273	D255-V257 WeakPolarHBondContact O-CG2 3.45Å; D255-V257 PolarHBondContact O-N 3.02Å; D255-V257 WeakPolarHBondContact OD1-CA 3.48Å; D255-V257 PolarHBondContact OD1-N 3.31Å; V257-D272 CarbonylContact O-C 3.47Å; V257-D272 WeakPolarHBondContact O-CA 3.39Å; V257-T273 WeakPolarHBondContact CA-OG1 3.49Å; V257-T273 WeakPolarHBondContact O-CG2 3.49Å; V257-T273 PolarHBondContact O-N 2.98Å; V257-T273 PolarHBondContact O-OG1 3.27Å
258	Y	97	Very high	95.4	Very high	65 Å²	65	20.1 Å²	20.1	26%	0.255	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.7	-172	-60.8	-76.8	0	0	0	113	K253 D255 L270 W271 D272 R274 V320	K253-Y258 WeakPolarHBondContact CB-O 3.4Å; K253-Y258 HydrophobicContact CD-CD2 4.32Å; K253-Y258 HydrophobicContact CD-CG 4.46Å; K253-Y258 PolarHBondContact N-O 2.92Å; D255-Y258 PolarHBondContact OD1-N 3.22Å; Y258-L270 HydrophobicContact CD1-CD1 4.29Å; Y258-L270 HydrophobicContact CD1-CD2 4.47Å; Y258-L270 HydrophobicContact CD1-CG 4.3Å; Y258-L270 HydrophobicContact CG-CD1 4.5Å; Y258-W271 VanDerWaalsContact CA-O 3.26Å; Y258-W271 WeakPolarHBondContact CA-O 3.23Å; Y258-W271 VanDerWaalsContact CD1-O 3.27Å; Y258-W271 WeakPolarHBondContact CD1-O 3.44Å; Y258-D272 HydrophobicContact CD1-CB 4.14Å; Y258-D272 HydrophobicContact CE1-CB 3.75Å; Y258-D272 PolarHBondContact OH-OD2 2.64Å; Y258-R274 PolarHBondContact OH-NH2 3.45Å; Y258-V320 HydrophobicContact CE1-CG2 4.4Å
259	F	98	Very high	95.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.9	169.6	69.2	-88.6	0	0	0	110.5	L208 L216 V224 F240 L250 D251 W271 T273	L208-F259 HydrophobicContact CD1-CD1 4.35Å; L216-F259 HydrophobicContact CD1-CB 3.82Å; L216-F259 HydrophobicContact CD1-CD1 3.74Å; L216-F259 HydrophobicContact CD1-CD2 3.81Å; L216-F259 HydrophobicContact CD1-CE1 4.23Å; L216-F259 HydrophobicContact CD1-CE2 4.3Å; L216-F259 HydrophobicContact CD1-CG 3.51Å; L216-F259 HydrophobicContact CD1-CZ 4.49Å; L216-F259 HydrophobicContact CD2-CD1 4.42Å; L216-F259 HydrophobicContact CD2-CE1 4.15Å; L216-F259 HydrophobicContact CD2-CZ 4.32Å; V224-F259 HydrophobicContact CB-CE2 4.33Å; V224-F259 HydrophobicContact CG1-CE2 3.83Å; V224-F259 HydrophobicContact CG1-CZ 4.08Å; V224-F259 HydrophobicContact CG2-CE2 4.48Å; F240-F259 HydrophobicContact CB-CZ 4.3Å; F240-F259 HydrophobicContact CD1-CE1 4.17Å; F240-F259 HydrophobicContact CD1-CZ 4.01Å; F240-F259 HydrophobicContact CD2-CE1 4.02Å; F240-F259 AromaticContact CD2-CZ 3.55Å; F240-F259 HydrophobicContact CD2-CZ 3.55Å; F240-F259 AromaticContact CE1-CE1 3.93Å; F240-F259 HydrophobicContact CE1-CE1 3.93Å; F240-F259 HydrophobicContact CE1-CZ 4.23Å; F240-F259 AromaticContact CE2-CE1 3.75Å; F240-F259 HydrophobicContact CE2-CE1 3.75Å; F240-F259 AromaticContact CE2-CZ 3.77Å; F240-F259 HydrophobicContact CE2-CZ 3.77Å; F240-F259 HydrophobicContact CG-CE1 4.22Å; F240-F259 AromaticContact CG-CZ 3.68Å; F240-F259 HydrophobicContact CG-CZ 3.68Å; F240-F259 AromaticContact CZ-CE1 3.72Å; F240-F259 HydrophobicContact CZ-CE1 3.72Å; F240-F259 HydrophobicContact CZ-CZ 4.13Å; L250-F259 HydrophobicContact CD2-CD2 4.31Å; L250-F259 HydrophobicContact CD2-CE2 4.28Å; D251-F259 CarbonylContact O-C 3.57Å; D251-F259 WeakPolarHBondContact O-CA 3.43Å; D251-F259 WeakPolarHBondContact O-CB 3.41Å; F259-W271 HydrophobicContact CD1-CB 3.89Å; F259-W271 HydrophobicContact CD2-CB 4.27Å; F259-W271 AromaticContact CD2-CD1 3.69Å; F259-W271 HydrophobicContact CD2-CG 4.28Å; F259-W271 HydrophobicContact CE1-CB 3.4Å; F259-W271 HydrophobicContact CE1-CG 4.06Å; F259-W271 HydrophobicContact CE2-CB 3.82Å; F259-W271 AromaticContact CE2-CD1 3.19Å; F259-W271 AromaticContact CE2-CG 3.6Å; F259-W271 HydrophobicContact CE2-CG 3.6Å; F259-W271 AromaticContact CE2-NE1 3.95Å; F259-W271 HydrophobicContact CG-CB 4.3Å; F259-W271 HydrophobicContact CZ-CB 3.35Å; F259-W271 AromaticContact CZ-CD1 3.6Å; F259-W271 HydrophobicContact CZ-CD2 4.36Å; F259-W271 AromaticContact CZ-CG 3.47Å; F259-W271 HydrophobicContact CZ-CG 3.47Å; F259-W271 VanDerWaalsContact CZ-CG 3.47Å; F259-W271 PolarHBondContact N-O 2.61Å; F259-W271 PolarHBondContact O-N 2.93Å; F259-T273 HydrophobicContact CD1-CG2 4.13Å; F259-T273 HydrophobicContact CE1-CG2 4.23Å
260	L	98.4	Very high	95.3	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	147.3	173.7	-66.6	166.5	0	0	0	110.6	L250 D251 V268 K269 L270 F337 A348 L362	L250-L260 WeakPolarHBondContact CA-O 2.66Å; D251-L260 PolarHBondContact N-O 3.21Å; D251-L260 VanDerWaalsContact N-O 3.1Å; D251-L260 PolarHBondContact O-N 3.36Å; L260-V268 HydrophobicContact CB-CG1 4.22Å; L260-V268 HydrophobicContact CD2-CG1 3.82Å; L260-V268 HydrophobicContact CG-CG1 4.41Å; L260-K269 CarbonylContact C-O 3.58Å; L260-K269 VanDerWaalsContact CA-O 3.3Å; L260-K269 WeakPolarHBondContact CA-O 3.44Å; L260-L270 HydrophobicContact CD2-CB 4.13Å; L260-L270 HydrophobicContact CD2-CD1 3.95Å; L260-F337 HydrophobicContact CB-CE2 4.13Å; L260-F337 HydrophobicContact CB-CZ 4.45Å; L260-F337 HydrophobicContact CD1-CD1 3.9Å; L260-F337 HydrophobicContact CD1-CD2 3.66Å; L260-F337 HydrophobicContact CD1-CE1 3.91Å; L260-F337 HydrophobicContact CD1-CE2 3.68Å; L260-F337 HydrophobicContact CD1-CG 3.79Å; L260-F337 HydrophobicContact CD1-CZ 3.83Å; L260-F337 HydrophobicContact CD2-CE1 4.33Å; L260-F337 HydrophobicContact CD2-CZ 4.11Å; L260-F337 HydrophobicContact CG-CD1 4.4Å; L260-F337 HydrophobicContact CG-CD2 4.01Å; L260-F337 HydrophobicContact CG-CE1 3.91Å; L260-F337 HydrophobicContact CG-CE2 3.47Å; L260-F337 VanDerWaalsContact CG-CE2 3.47Å; L260-F337 HydrophobicContact CG-CG 4.45Å; L260-F337 HydrophobicContact CG-CZ 3.43Å; L260-F337 VanDerWaalsContact CG-CZ 3.43Å; L260-A348 HydrophobicContact CD1-CB 3.66Å; L260-A348 HydrophobicContact CD2-CB 4.41Å; L260-L362 HydrophobicContact CD2-CD2 4.36Å
261	S	98.3	Very high	95.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136	161.7	63	0	0	0	0	110.7	H243 Y249 L250 V268 K269 W271	H243-S261 PolarHBondContact CD2-OG 3.33Å; H243-S261 VanDerWaalsContact CD2-OG 3.32Å; H243-S261 PolarHBondContact NE2-OG 3.07Å; Y249-S261 WeakPolarHBondContact O-CA 3.46Å; L250-S261 VanDerWaalsContact CD2-CB 3.49Å; S261-V268 CarbonylContact O-C 3.52Å; S261-V268 VanDerWaalsContact O-CA 3.23Å; S261-V268 WeakPolarHBondContact O-CA 3.13Å; S261-K269 PolarHBondContact N-O 3.36Å; S261-K269 PolarHBondContact O-N 2.97Å; S261-W271 PolarHBondContact OG-NE1 2.92Å
262	N	97.7	Very high	95.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	143.1	169.3	-169.9	37.8	0	0	0	109.7	T248 Y249 T267 V268 H326 I333 A335	T248-N262 PolarHBondContact N-O 2.87Å; T248-N262 WeakPolarHBondContact OG1-CB 3.03Å; T248-N262 PolarHBondContact OG1-ND2 2.97Å; T248-N262 PolarHBondContact OG1-O 2.86Å; Y249-N262 PolarHBondContact N-O 3.1Å; Y249-N262 PolarHBondContact O-N 3.07Å; N262-T267 PolarHBondContact OD1-O 3.05Å; N262-V268 HydrophobicContact CB-CG2 4.06Å; N262-V268 VanDerWaalsContact OD1-CG2 3.24Å; N262-V268 WeakPolarHBondContact OD1-CG2 3.34Å; N262-H326 PolarHBondContact OD1-NE2 2.92Å; N262-I333 PolarHBondContact ND2-O 2.86Å; N262-A335 HydrophobicContact CB-CB 3.87Å
263	S	95.3	Very high	95	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.5	-176	171.2	0	0	0	0	113.1	H243 D245 G246 D265 Q266 T267 V328	H243-S263 VanDerWaalsContact CE1-CB 3.43Å; H243-S263 WeakPolarHBondContact CE1-CB 3.37Å; H243-S263 WeakPolarHBondContact ND1-CB 3.18Å; D245-S263 PolarHBondContact O-OG 2.95Å; G246-S263 CarbonylContact O-C 3.56Å; G246-S263 VanDerWaalsContact O-CA 3.3Å; G246-S263 WeakPolarHBondContact O-CA 3.43Å; G246-S263 PolarHBondContact O-OG 2.86Å; S263-D265 VanDerWaalsContact CB-OD1 3.29Å; S263-D265 WeakPolarHBondContact CB-OD1 3.43Å; S263-D265 PolarHBondContact O-N 2.76Å; S263-D265 VanDerWaalsContact OG-CG 3.25Å; S263-D265 PolarHBondContact OG-N 3.24Å; S263-D265 PolarHBondContact OG-OD1 3.37Å; S263-Q266 PolarHBondContact O-N 3.36Å; S263-Q266 VanDerWaalsContact O-N 3.12Å; S263-T267 PolarHBondContact N-O 2.93Å; S263-V328 WeakPolarHBondContact O-CG2 2.95Å
264	K	93.4	Very high	94.9	Very high	17 Å²	17	25.8 Å²	25.8	7%	0.074	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-14.3	167.3	-61.4	172.5	-175.4	174.6	0	111.7	D220 D245 G246 T248 Q266 Y293 Y302	D220-K264 VanDerWaalsContact OD1-CE 3.31Å; D220-K264 WeakPolarHBondContact OD1-CE 3.41Å; D220-K264 IonicContact OD1-NZ 3.99Å; D220-K264 PolarHBondContact OD1-NZ 2.83Å; D220-K264 IonicContact OD2-NZ 2.63Å; D220-K264 PolarHBondContact OD2-NZ 2.82Å; D245-K264 HydrophobicContact CB-CB 3.87Å; G246-K264 WeakPolarHBondContact O-CG 3.41Å; G246-K264 PolarHBondContact O-N 2.71Å; T248-K264 HydrophobicContact CG2-CG 3.57Å; K264-Q266 PolarHBondContact O-N 3.08Å; K264-Q266 PolarHBondContact O-NE2 3.15Å; K264-Y293 HydrophobicContact CD-CD1 3.66Å; K264-Y293 HydrophobicContact CD-CE1 3.83Å; K264-Y293 HydrophobicContact CD-CG 4.19Å; K264-Y293 HydrophobicContact CG-CD1 4.16Å; K264-Y293 HydrophobicContact CG-CD2 4.5Å; K264-Y293 HydrophobicContact CG-CE1 4.48Å; K264-Y293 HydrophobicContact CG-CG 4.18Å; K264-Y302 PolarHBondContact O-OH 3.28Å
265	D	89.9	Confident	94.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	7.3	173.3	77.4	8.3	0	0	0	115.4	H243 V244 D245 S263 T267 Y302	H243-D265 WeakPolarHBondContact CA-OD2 3.41Å; H243-D265 WeakPolarHBondContact CB-OD2 3.21Å; H243-D265 IonicContact CE1-OD1 2.66Å; H243-D265 IonicContact CE1-OD2 3.95Å; H243-D265 IonicContact CG-OD2 2.95Å; H243-D265 VanDerWaalsContact ND1-CG 3.35Å; H243-D265 IonicContact ND1-OD1 3.07Å; H243-D265 PolarHBondContact ND1-OD1 3.22Å; H243-D265 IonicContact ND1-OD2 2.85Å; H243-D265 PolarHBondContact ND1-OD2 2.76Å; V244-D265 HydrophobicContact CB-CB 4.03Å; V244-D265 PolarHBondContact N-OD2 3.35Å; D245-D265 HydrophobicContact CB-CB 3.92Å; S263-D265 VanDerWaalsContact CB-OD1 3.29Å; S263-D265 WeakPolarHBondContact CB-OD1 3.43Å; S263-D265 PolarHBondContact O-N 2.76Å; S263-D265 VanDerWaalsContact OG-CG 3.25Å; S263-D265 PolarHBondContact OG-N 3.24Å; S263-D265 PolarHBondContact OG-OD1 3.37Å; D265-T267 VanDerWaalsContact C-N 3.29Å; D265-T267 PolarHBondContact O-N 2.95Å; D265-T267 WeakPolarHBondContact OD1-CB 3.29Å; D265-T267 PolarHBondContact OD1-N 3.16Å; D265-T267 PolarHBondContact OD1-OG1 3Å; D265-Y302 WeakPolarHBondContact CA-OH 3.33Å
266	Q	92	Very high	94.8	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.042	13%	0.128	C	C	.	.	S	Bend	trans	69.6	23.2	177.8	-37	-66.9	-66.2	0	0	113.3	S263 K264 I298 V304 V328	S263-Q266 PolarHBondContact O-N 3.36Å; S263-Q266 VanDerWaalsContact O-N 3.12Å; K264-Q266 PolarHBondContact O-N 3.08Å; K264-Q266 PolarHBondContact O-NE2 3.15Å; Q266-I298 HydrophobicContact CG-CD1 4.19Å; Q266-V304 HydrophobicContact CB-CG1 3.82Å; Q266-V304 HydrophobicContact CG-CG1 3.63Å; Q266-V328 PolarHBondContact NE2-O 2.96Å
267	T	92.8	Very high	94.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.9	177.4	70.3	0	0	0	0	112.9	H243 N262 S263 D265 P305 T322 L323	H243-T267 PolarHBondContact CE1-OG1 3.26Å; H243-T267 PolarHBondContact ND1-OG1 2.95Å; N262-T267 PolarHBondContact OD1-O 3.05Å; S263-T267 PolarHBondContact N-O 2.93Å; D265-T267 VanDerWaalsContact C-N 3.29Å; D265-T267 PolarHBondContact O-N 2.95Å; D265-T267 WeakPolarHBondContact OD1-CB 3.29Å; D265-T267 PolarHBondContact OD1-N 3.16Å; D265-T267 PolarHBondContact OD1-OG1 3Å; T267-P305 HydrophobicContact CG2-CB 3.95Å; T267-P305 HydrophobicContact CG2-CG 3.61Å; T267-T322 HydrophobicContact CG2-CG2 3.94Å; T267-L323 WeakPolarHBondContact CA-O 3.31Å; T267-L323 WeakPolarHBondContact CB-O 3.34Å
268	V	96.1	Very high	94.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134	163.1	175.6	0	0	0	0	107.6	L260 S261 N262 L323 A335	L260-V268 HydrophobicContact CB-CG1 4.22Å; L260-V268 HydrophobicContact CD2-CG1 3.82Å; L260-V268 HydrophobicContact CG-CG1 4.41Å; S261-V268 CarbonylContact O-C 3.52Å; S261-V268 VanDerWaalsContact O-CA 3.23Å; S261-V268 WeakPolarHBondContact O-CA 3.13Å; N262-V268 HydrophobicContact CB-CG2 4.06Å; N262-V268 VanDerWaalsContact OD1-CG2 3.24Å; N262-V268 WeakPolarHBondContact OD1-CG2 3.34Å; V268-L323 HydrophobicContact CB-CB 4.13Å; V268-L323 HydrophobicContact CB-CD1 4.33Å; V268-L323 HydrophobicContact CG1-CD1 4.13Å; V268-L323 PolarHBondContact N-O 2.66Å; V268-L323 PolarHBondContact O-N 3.39Å; V268-A335 HydrophobicContact CB-CB 4.5Å; V268-A335 HydrophobicContact CG1-CB 4.16Å; V268-A335 HydrophobicContact CG2-CB 3.48Å; V268-A335 VanDerWaalsContact CG2-CB 3.48Å
269	K	95.6	Very high	93.4	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140	175.7	-72.8	179.1	-175.1	-75.6	0	111	G242 L260 S261 W271 D317 L321 T322	G242-K269 WeakPolarHBondContact O-CE 3.5Å; L260-K269 CarbonylContact C-O 3.58Å; L260-K269 VanDerWaalsContact CA-O 3.3Å; L260-K269 WeakPolarHBondContact CA-O 3.44Å; S261-K269 PolarHBondContact N-O 3.36Å; S261-K269 PolarHBondContact O-N 2.97Å; K269-W271 HydrophobicContact CB-CZ2 3.69Å; K269-W271 HydrophobicContact CD-CH2 3.86Å; K269-W271 HydrophobicContact CD-CZ2 3.52Å; K269-W271 HydrophobicContact CG-CZ2 4.24Å; K269-W271 PolarHBondContact O-NE1 3.1Å; K269-D317 IonicContact NZ-OD1 3.18Å; K269-D317 IonicContact NZ-OD2 2.7Å; K269-D317 PolarHBondContact NZ-OD2 2.92Å; K269-L321 WeakPolarHBondContact CA-O 3.43Å; K269-T322 HydrophobicContact CG-CG2 4.36Å; K269-T322 PolarHBondContact NZ-OG1 3.22Å
270	L	97.5	Very high	92.5	Very high	15 Å²	15	34.2 Å²	34.2	8%	0.079	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.3	168	-178.9	67.7	0	0	0	108.8	Y258 L260 V320 L321 F337	Y258-L270 HydrophobicContact CD1-CD1 4.29Å; Y258-L270 HydrophobicContact CD1-CD2 4.47Å; Y258-L270 HydrophobicContact CD1-CG 4.3Å; Y258-L270 HydrophobicContact CG-CD1 4.5Å; L260-L270 HydrophobicContact CD2-CB 4.13Å; L260-L270 HydrophobicContact CD2-CD1 3.95Å; L270-V320 HydrophobicContact CD2-CB 4.38Å; L270-V320 HydrophobicContact CD2-CG1 4.31Å; L270-V320 HydrophobicContact CG-CB 4.41Å; L270-V320 PolarHBondContact O-N 3.08Å; L270-L321 HydrophobicContact CB-CB 3.96Å; L270-L321 HydrophobicContact CD2-CB 4.36Å; L270-L321 PolarHBondContact N-O 2.89Å; L270-L321 PolarHBondContact O-N 3.15Å; L270-F337 HydrophobicContact CD1-CE1 3.99Å; L270-F337 HydrophobicContact CD1-CZ 3.73Å
271	W	97.4	Very high	91.6	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.1	-179.4	-55.4	93.7	0	0	0	110.7	F240 H243 Y258 F259 S261 K269 N318 S319	F240-W271 HydrophobicContact CB-CD2 3.99Å; F240-W271 HydrophobicContact CB-CE3 3.73Å; F240-W271 HydrophobicContact CB-CH2 4.39Å; F240-W271 HydrophobicContact CB-CZ3 3.94Å; F240-W271 HydrophobicContact CD1-CB 4.22Å; F240-W271 HydrophobicContact CD1-CD2 4.4Å; F240-W271 HydrophobicContact CD1-CE3 4.02Å; F240-W271 HydrophobicContact CG-CD2 4.48Å; F240-W271 HydrophobicContact CG-CE3 4.3Å; H243-W271 AromaticContact CD2-CZ2 3.8Å; Y258-W271 VanDerWaalsContact CA-O 3.26Å; Y258-W271 WeakPolarHBondContact CA-O 3.23Å; Y258-W271 VanDerWaalsContact CD1-O 3.27Å; Y258-W271 WeakPolarHBondContact CD1-O 3.44Å; F259-W271 HydrophobicContact CD1-CB 3.89Å; F259-W271 HydrophobicContact CD2-CB 4.27Å; F259-W271 AromaticContact CD2-CD1 3.69Å; F259-W271 HydrophobicContact CD2-CG 4.28Å; F259-W271 HydrophobicContact CE1-CB 3.4Å; F259-W271 HydrophobicContact CE1-CG 4.06Å; F259-W271 HydrophobicContact CE2-CB 3.82Å; F259-W271 AromaticContact CE2-CD1 3.19Å; F259-W271 AromaticContact CE2-CG 3.6Å; F259-W271 HydrophobicContact CE2-CG 3.6Å; F259-W271 AromaticContact CE2-NE1 3.95Å; F259-W271 HydrophobicContact CG-CB 4.3Å; F259-W271 HydrophobicContact CZ-CB 3.35Å; F259-W271 AromaticContact CZ-CD1 3.6Å; F259-W271 HydrophobicContact CZ-CD2 4.36Å; F259-W271 AromaticContact CZ-CG 3.47Å; F259-W271 HydrophobicContact CZ-CG 3.47Å; F259-W271 VanDerWaalsContact CZ-CG 3.47Å; F259-W271 PolarHBondContact N-O 2.61Å; F259-W271 PolarHBondContact O-N 2.93Å; S261-W271 PolarHBondContact OG-NE1 2.92Å; K269-W271 HydrophobicContact CB-CZ2 3.69Å; K269-W271 HydrophobicContact CD-CH2 3.86Å; K269-W271 HydrophobicContact CD-CZ2 3.52Å; K269-W271 HydrophobicContact CG-CZ2 4.24Å; K269-W271 PolarHBondContact O-NE1 3.1Å; W271-N318 WeakPolarHBondContact CZ3-OD1 3.2Å; W271-S319 VanDerWaalsContact CZ3-N 3.27Å
272	D	96	Very high	90.7	Very high	16 Å²	16	42.2 Å²	42.2	9%	0.086	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.4	167.7	-173.2	-40.1	0	0	0	107.3	V257 Y258 R274 K275 V320	V257-D272 CarbonylContact O-C 3.47Å; V257-D272 WeakPolarHBondContact O-CA 3.39Å; Y258-D272 HydrophobicContact CD1-CB 4.14Å; Y258-D272 HydrophobicContact CE1-CB 3.75Å; Y258-D272 PolarHBondContact OH-OD2 2.64Å; D272-R274 PolarHBondContact O-N 3.12Å; D272-R274 VanDerWaalsContact O-N 3.13Å; D272-R274 VanDerWaalsContact OD1-CB 3.24Å; D272-R274 WeakPolarHBondContact OD1-CB 3.04Å; D272-R274 WeakPolarHBondContact OD1-CG 3.29Å; D272-R274 IonicContact OD1-CZ 2.74Å; D272-R274 PolarHBondContact OD1-N 3.03Å; D272-R274 IonicContact OD1-NE 3Å; D272-R274 PolarHBondContact OD1-NE 3.05Å; D272-R274 IonicContact OD1-NH2 3.32Å; D272-R274 IonicContact OD2-CZ 2.92Å; D272-R274 IonicContact OD2-NE 3.66Å; D272-R274 PolarHBondContact OD2-NE 2.86Å; D272-R274 IonicContact OD2-NH2 3.6Å; D272-R274 PolarHBondContact OD2-NH2 2.9Å; D272-K275 HydrophobicContact CB-CB 4.01Å; D272-K275 CarbonylContact O-C 3.43Å; D272-K275 WeakPolarHBondContact O-CA 3.46Å; D272-K275 PolarHBondContact O-N 2.75Å; D272-V320 HydrophobicContact CB-CG2 3.68Å
273	T	94.7	Very high	89.5	Confident	21 Å²	21	45.2 Å²	45.2	13%	0.129	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.4	-178.1	55.2	0	0	0	0	112.9	L208 L226 F240 N256 V257 F259	L208-T273 HydrophobicContact CD1-CG2 3.57Å; L208-T273 HydrophobicContact CD2-CG2 3.9Å; L208-T273 HydrophobicContact CG-CG2 4.38Å; L226-T273 HydrophobicContact CD1-CG2 4.29Å; F240-T273 HydrophobicContact CZ-CG2 4.38Å; N256-T273 PolarHBondContact O-OG1 3.06Å; V257-T273 WeakPolarHBondContact CA-OG1 3.49Å; V257-T273 WeakPolarHBondContact O-CG2 3.49Å; V257-T273 PolarHBondContact O-N 2.98Å; V257-T273 PolarHBondContact O-OG1 3.27Å; F259-T273 HydrophobicContact CD1-CG2 4.13Å; F259-T273 HydrophobicContact CE1-CG2 4.23Å
274	R	93.7	Very high	88.5	Confident	170 Å²	170	47.9 Å²	47.9	64%	0.642	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-21.1	176.5	-52.8	167.5	-65.4	-173.9	0.7	112.3	Y258 D272 C276	Y258-R274 PolarHBondContact OH-NH2 3.45Å; D272-R274 PolarHBondContact O-N 3.12Å; D272-R274 VanDerWaalsContact O-N 3.13Å; D272-R274 VanDerWaalsContact OD1-CB 3.24Å; D272-R274 WeakPolarHBondContact OD1-CB 3.04Å; D272-R274 WeakPolarHBondContact OD1-CG 3.29Å; D272-R274 IonicContact OD1-CZ 2.74Å; D272-R274 PolarHBondContact OD1-N 3.03Å; D272-R274 IonicContact OD1-NE 3Å; D272-R274 PolarHBondContact OD1-NE 3.05Å; D272-R274 IonicContact OD1-NH2 3.32Å; D272-R274 IonicContact OD2-CZ 2.92Å; D272-R274 IonicContact OD2-NE 3.66Å; D272-R274 PolarHBondContact OD2-NE 2.86Å; D272-R274 IonicContact OD2-NH2 3.6Å; D272-R274 PolarHBondContact OD2-NH2 2.9Å; R274-C276 VanDerWaalsContact C-N 3.3Å; R274-C276 PolarHBondContact O-N 2.86Å
275	K	92.1	Very high	87.6	Confident	101 Å²	101	50.5 Å²	50.5	44%	0.439	25%	0.254	S	S	.	.	S	Bend	trans	-96.3	55.9	176	-165.6	-175.7	171.6	-166.4	0	109.4	D272 N318 S319	D272-K275 HydrophobicContact CB-CB 4.01Å; D272-K275 CarbonylContact O-C 3.43Å; D272-K275 WeakPolarHBondContact O-CA 3.46Å; D272-K275 PolarHBondContact O-N 2.75Å; K275-N318 VanDerWaalsContact CD-O 3.23Å; K275-N318 WeakPolarHBondContact CD-O 3.36Å; K275-N318 VanDerWaalsContact CE-O 3.26Å; K275-N318 WeakPolarHBondContact CE-O 3.29Å; K275-N318 PolarHBondContact NZ-O 2.63Å; K275-N318 PolarHBondContact O-ND2 3.1Å; K275-S319 PolarHBondContact NZ-O 2.95Å
276	C	89.8	Confident	87.1	Confident	50 Å²	50	55.3 Å²	55.3	34%	0.338	28%	0.284	S	S	.	.			trans	-102.5	172.7	-179.6	64.5	0	0	0	0	112.3	S238 F240 R274	S238-C276 PolarHBondContact OG-SG 3.43Å; F240-C276 HydrophobicContact CD1-CB 4.33Å; F240-C276 HydrophobicContact CE1-CB 3.7Å; F240-C276 HydrophobicContact CZ-CB 4Å; R274-C276 VanDerWaalsContact C-N 3.3Å; R274-C276 PolarHBondContact O-N 2.86Å
277	R	87.6	Confident	86.3	Confident	74 Å²	74	57.4 Å²	57.4	28%	0.279	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-108.1	156.2	165.3	-68.7	-176.4	169	-155.9	-0.5	110.4	L239 K281 T283 G316	L239-R277 HydrophobicContact CB-CB 4.19Å; L239-R277 HydrophobicContact CD2-CB 4.47Å; L239-R277 PolarHBondContact N-O 3.27Å; L239-R277 PolarHBondContact O-N 3.35Å; R277-K281 PolarHBondContact NH1-O 3.14Å; R277-T283 PolarHBondContact NH1-OG1 3.45Å; R277-G316 PolarHBondContact NH2-O 2.98Å
278	E	85.6	Confident	85.3	Confident	124 Å²	124	62.7 Å²	62.7	58%	0.579	32%	0.318	S	S	*	.			trans	-64.6	145	166.7	-66.1	171	-179.2	0	0	110.3	K281	E278-K281 HydrophobicContact CB-CD 4.31Å; E278-K281 PolarHBondContact O-N 2.97Å; E278-K281 WeakPolarHBondContact OE2-CE 3.46Å; E278-K281 IonicContact OE2-NZ 3.5Å; E278-K281 PolarHBondContact OE2-NZ 3.4Å
279	S	79.9	Confident	84.1	Confident	58 Å²	58	64.3 Å²	64.3	41%	0.406	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	145.1	171.3	-175.6	0	0	0	0	110.9	C236 K281	C236-S279 WeakPolarHBondContact CB-OG 3.16Å; C236-S279 VanDerWaalsContact O-CB 3.29Å; C236-S279 WeakPolarHBondContact O-CB 3.4Å; S279-K281 VanDerWaalsContact C-N 3.3Å; S279-K281 PolarHBondContact O-N 3Å
280	G	79.1	Confident	83	Confident	59 Å²	59	69.7 Å²	69.7	61%	0.608	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-9.5	-176.1	0	0	0	0	0	114.8	E282	G280-E282 VanDerWaalsContact C-N 3.33Å; G280-E282 WeakPolarHBondContact CA-OE2 3.37Å; G280-E282 PolarHBondContact N-OE2 3.47Å
281	K	80	Confident	82.4	Confident	123 Å²	123	70.4 Å²	70.4	54%	0.535	37%	0.365	S	S	.	.			trans	-99.3	35.9	173.7	-65.2	-178.4	178.5	162.2	0	111.9	R277 E278 S279 T283	R277-K281 PolarHBondContact NH1-O 3.14Å; E278-K281 HydrophobicContact CB-CD 4.31Å; E278-K281 PolarHBondContact O-N 2.97Å; E278-K281 WeakPolarHBondContact OE2-CE 3.46Å; E278-K281 IonicContact OE2-NZ 3.5Å; E278-K281 PolarHBondContact OE2-NZ 3.4Å; S279-K281 VanDerWaalsContact C-N 3.3Å; S279-K281 PolarHBondContact O-N 3Å; K281-T283 PolarHBondContact O-N 3.16Å
282	E	79.4	Confident	81.8	Confident	46 Å²	46	72 Å²	72	22%	0.215	37%	0.373	C	S	.	.			trans	-57.1	126	173.8	-68.9	80.1	-179	0	0	110.5	R225 L239 G280 R284 M285	R225-E282 IonicContact CZ-OE1 2.78Å; R225-E282 IonicContact NE-OE1 3.36Å; R225-E282 IonicContact NH2-OE1 3.23Å; R225-E282 PolarHBondContact NH2-OE1 3.1Å; R225-E282 VanDerWaalsContact NH2-OE1 3.08Å; L239-E282 HydrophobicContact CD1-CG 4.29Å; L239-E282 HydrophobicContact CD2-CB 4.27Å; L239-E282 HydrophobicContact CD2-CG 3.77Å; G280-E282 VanDerWaalsContact C-N 3.33Å; G280-E282 WeakPolarHBondContact CA-OE2 3.37Å; G280-E282 PolarHBondContact N-OE2 3.47Å; E282-R284 VanDerWaalsContact C-N 3.32Å; E282-M285 HydrophobicContact CB-CG 4.33Å
283	T	71.4	Confident	81.5	Confident	63 Å²	63	72.7 Å²	72.7	39%	0.387	38%	0.375	S	S	.	.	S	Bend	trans	-77.4	-28.4	171.4	-42.8	0	0	0	0	110.5	R277 K281	R277-T283 PolarHBondContact NH1-OG1 3.45Å; K281-T283 PolarHBondContact O-N 3.16Å
284	R	73.8	Confident	81.1	Confident	57 Å²	57	75.4 Å²	75.4	22%	0.215	38%	0.383	C	S	.	.			trans	-153	146.1	-168	-66.9	-178.2	171.6	-141.5	-38	110.9	N223 E282 R288	N223-R284 PolarHBondContact ND2-O 2.94Å; E282-R284 VanDerWaalsContact C-N 3.32Å; R284-R288 VanDerWaalsContact CZ-CZ 3.47Å
285	M	74.3	Confident	80.6	Confident	71 Å²	71	73.1 Å²	73.1	35%	0.35	38%	0.382	S	S	.	.	S	Bend	trans	-132	-0.6	172.5	-62.8	-177.1	-69.6	0	0	112.1	D221 E282	D221-M285 WeakPolarHBondContact CA-O 3.24Å; D221-M285 HydrophobicContact CB-CB 4.5Å; D221-M285 WeakPolarHBondContact CB-O 3.07Å; D221-M285 CarbonylContact O-C 3.49Å; D221-M285 VanDerWaalsContact O-CA 3.29Å; D221-M285 WeakPolarHBondContact O-CA 3.47Å; E282-M285 HydrophobicContact CB-CG 4.33Å
286	T	79.6	Confident	80.3	Confident	101 Å²	101	72.9 Å²	72.9	62%	0.62	38%	0.382	S	S	*	.	S	Bend	trans	-143.4	150.7	-177.2	55.4	0	0	0	0	111.5
287	P	75.7	Confident	80	Confident	54 Å²	54	74.3 Å²	74.3	35%	0.351	39%	0.391	S	S	.	.			trans	-60.5	151.4	175.2	-24.3	34.4	0	0	0	113.4	V244 D245 S289	V244-P287 WeakPolarHBondContact O-CA 3.35Å; D245-P287 WeakPolarHBondContact OD1-CG 3.29Å; P287-S289 VanDerWaalsContact C-N 3.3Å; P287-S289 PolarHBondContact O-N 3.01Å
288	R	72.5	Confident	79.7	Confident	111 Å²	111	73.1 Å²	73.1	42%	0.419	39%	0.39	S	S	.	.	S	Bend	trans	-72.1	-20.1	178.1	-94.9	-174.2	172.2	136.3	6.3	114.4	V244 R284 P303	V244-R288 HydrophobicContact CG1-CB 3.73Å; V244-R288 HydrophobicContact CG1-CG 3.84Å; R284-R288 VanDerWaalsContact CZ-CZ 3.47Å; R288-P303 HydrophobicContact CB-CG 3.83Å; R288-P303 HydrophobicContact CG-CG 4.35Å
289	S	69.4	Low	79.5	Confident	34 Å²	34	69.2 Å²	69.2	24%	0.238	38%	0.375	C	S	.	.	S	Bend	trans	-139.4	136.6	-171.7	-174.4	0	0	0	0	108.8	P287 W291	P287-S289 VanDerWaalsContact C-N 3.3Å; P287-S289 PolarHBondContact O-N 3.01Å; S289-W291 PolarHBondContact O-N 3.08Å
290	T	73.9	Confident	79.2	Confident	115 Å²	115	74.6 Å²	74.6	71%	0.706	39%	0.386	S	S	*	.			trans	-85	99.2	172.6	50.3	0	0	0	0	108.4
291	W	84.1	Confident	78.8	Confident	30 Å²	30	75.4 Å²	75.4	11%	0.114	40%	0.395	C	S	.	.			trans	-147.3	148.7	172.5	73.7	-57.8	0	0	0	108.5	D245 S289 Y293 H296 I298 P299 Y302	D245-W291 PolarHBondContact OD2-NE1 3.23Å; D245-W291 VanDerWaalsContact OD2-NE1 3.07Å; S289-W291 PolarHBondContact O-N 3.08Å; W291-Y293 VanDerWaalsContact CZ3-CA 3.46Å; W291-H296 HydrophobicContact CE3-CB 4.4Å; W291-I298 HydrophobicContact CH2-CG1 3.96Å; W291-I298 HydrophobicContact CZ3-CB 4.49Å; W291-I298 HydrophobicContact CZ3-CG1 3.93Å; W291-P299 HydrophobicContact CB-CG 3.88Å; W291-P299 HydrophobicContact CD2-CG 4.41Å; W291-P299 HydrophobicContact CG-CG 4.01Å; W291-Y302 AromaticContact CD1-CD2 3.97Å; W291-Y302 AromaticContact CD1-CE2 3.61Å; W291-Y302 AromaticContact CE2-CE2 3.74Å; W291-Y302 AromaticContact CE2-CZ 3.97Å; W291-Y302 HydrophobicContact CZ2-CE1 4.43Å; W291-Y302 HydrophobicContact CZ2-CE2 4.26Å; W291-Y302 AromaticContact NE1-CD2 3.72Å; W291-Y302 AromaticContact NE1-CE2 3.04Å; W291-Y302 AromaticContact NE1-CZ 3.55Å
292	D	85.8	Confident	78.6	Confident	35 Å²	35	69.8 Å²	69.8	19%	0.187	37%	0.37	C	S	.	.			trans	-96.3	110.4	174.1	-170.1	-23.9	0	0	0	108.9	R294 I295 H296	D292-R294 PolarHBondContact O-N 3.12Å; D292-R294 VanDerWaalsContact OD1-CB 3.22Å; D292-R294 WeakPolarHBondContact OD1-CB 3.3Å; D292-R294 WeakPolarHBondContact OD1-CG 3.49Å; D292-R294 IonicContact OD1-CZ 3.71Å; D292-R294 PolarHBondContact OD1-N 2.97Å; D292-R294 IonicContact OD1-NE 3.78Å; D292-R294 PolarHBondContact OD1-NE 3.1Å; D292-R294 IonicContact OD1-NH2 2.93Å; D292-R294 IonicContact OD2-CZ 3.77Å; D292-R294 IonicContact OD2-NE 3.68Å; D292-R294 PolarHBondContact OD2-NE 2.94Å; D292-R294 VanDerWaalsContact OD2-NE 3.17Å; D292-R294 IonicContact OD2-NH2 2.95Å; D292-R294 PolarHBondContact OD2-NH2 3.44Å; D292-I295 PolarHBondContact O-N 3.35Å; D292-H296 PolarHBondContact N-ND1 2.89Å; D292-H296 WeakPolarHBondContact O-CA 3.44Å; D292-H296 WeakPolarHBondContact O-CB 3.36Å; D292-H296 PolarHBondContact O-N 3.07Å
293	Y	88.5	Confident	78	Confident	30 Å²	30	68.4 Å²	68.4	12%	0.118	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-18.4	179.8	74.8	-78.7	0	0	0	113.8	K264 W291 R329 N330 L332	K264-Y293 HydrophobicContact CD-CD1 3.66Å; K264-Y293 HydrophobicContact CD-CE1 3.83Å; K264-Y293 HydrophobicContact CD-CG 4.19Å; K264-Y293 HydrophobicContact CG-CD1 4.16Å; K264-Y293 HydrophobicContact CG-CD2 4.5Å; K264-Y293 HydrophobicContact CG-CE1 4.48Å; K264-Y293 HydrophobicContact CG-CG 4.18Å; W291-Y293 VanDerWaalsContact CZ3-CA 3.46Å; Y293-R329 CarbonylContact O-C 3.6Å; Y293-R329 WeakPolarHBondContact O-CA 3.27Å; Y293-R329 WeakPolarHBondContact O-CB 3.44Å; Y293-N330 PolarHBondContact O-N 3.14Å; Y293-L332 HydrophobicContact CE2-CD2 4.33Å; Y293-L332 WeakPolarHBondContact OH-CD2 3.31Å
294	R	86.2	Confident	77.7	Confident	77 Å²	77	66.5 Å²	66.5	29%	0.291	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-37.5	-179.3	-59.5	172.5	-67.3	-174.8	0.3	112.5	D292 N330	D292-R294 PolarHBondContact O-N 3.12Å; D292-R294 VanDerWaalsContact OD1-CB 3.22Å; D292-R294 WeakPolarHBondContact OD1-CB 3.3Å; D292-R294 WeakPolarHBondContact OD1-CG 3.49Å; D292-R294 IonicContact OD1-CZ 3.71Å; D292-R294 PolarHBondContact OD1-N 2.97Å; D292-R294 IonicContact OD1-NE 3.78Å; D292-R294 PolarHBondContact OD1-NE 3.1Å; D292-R294 IonicContact OD1-NH2 2.93Å; D292-R294 IonicContact OD2-CZ 3.77Å; D292-R294 IonicContact OD2-NE 3.68Å; D292-R294 PolarHBondContact OD2-NE 2.94Å; D292-R294 VanDerWaalsContact OD2-NE 3.17Å; D292-R294 IonicContact OD2-NH2 2.95Å; D292-R294 PolarHBondContact OD2-NH2 3.44Å; R294-N330 PolarHBondContact O-OD1 2.9Å
295	I	84.4	Confident	77	Confident	123 Å²	123	64.5 Å²	64.5	63%	0.631	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-41.5	-168.1	-55.5	165.3	0	0	0	110.6	D292 R329	D292-I295 PolarHBondContact O-N 3.35Å; I295-R329 PolarHBondContact O-NH2 3.38Å
296	H	85.3	Confident	76	Confident	95 Å²	95	68 Å²	68	44%	0.44	36%	0.362	S	S	.	.	S	Bend	trans	-81.2	144	-172	-62.4	167.2	0	0	0	112.7	W291 D292 R329	W291-H296 HydrophobicContact CE3-CB 4.4Å; D292-H296 PolarHBondContact N-ND1 2.89Å; D292-H296 WeakPolarHBondContact O-CA 3.44Å; D292-H296 WeakPolarHBondContact O-CB 3.36Å; D292-H296 PolarHBondContact O-N 3.07Å; H296-R329 PolarHBondContact O-NE 3.42Å; H296-R329 PolarHBondContact O-NH2 2.88Å
297	P	83.5	Confident	74.8	Confident	81 Å²	81	70.1 Å²	70.1	53%	0.526	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-61	151.2	167.4	28.5	-33.9	0	0	0	111.1	P299	P297-P299 WeakPolarHBondContact O-CD 3.43Å; P297-P299 VanDerWaalsContact O-N 3.16Å
298	I	81.4	Confident	73.6	Confident	49 Å²	49	70.9 Å²	70.9	25%	0.251	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-61.8	119	175.5	-58.2	170.7	0	0	0	107.6	Q266 W291 R300 Y302 R329	Q266-I298 HydrophobicContact CG-CD1 4.19Å; W291-I298 HydrophobicContact CH2-CG1 3.96Å; W291-I298 HydrophobicContact CZ3-CB 4.49Å; W291-I298 HydrophobicContact CZ3-CG1 3.93Å; I298-R300 PolarHBondContact O-N 3Å; I298-Y302 HydrophobicContact CG2-CD1 4.04Å; I298-Y302 HydrophobicContact CG2-CG 4.22Å; I298-R329 HydrophobicContact CG1-CG 4.47Å
299	P	81	Confident	72.4	Confident	41 Å²	41	70.5 Å²	70.5	27%	0.266	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-59.3	141.5	-176.7	-23.7	31.7	0	0	0	112	W291 P297 G301 Y302	W291-P299 HydrophobicContact CB-CG 3.88Å; W291-P299 HydrophobicContact CD2-CG 4.41Å; W291-P299 HydrophobicContact CG-CG 4.01Å; P297-P299 WeakPolarHBondContact O-CD 3.43Å; P297-P299 VanDerWaalsContact O-N 3.16Å; P299-G301 PolarHBondContact O-N 2.78Å; P299-G301 VanDerWaalsContact O-N 3.15Å; P299-Y302 WeakPolarHBondContact O-CB 3.46Å; P299-Y302 PolarHBondContact O-N 3.04Å
300	R	74.2	Confident	71.5	Confident	172 Å²	172	74 Å²	74	65%	0.649	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-39.1	-178.5	-72.9	-177.2	177.2	-178.2	-3.4	112.7	I298 K307 E512	I298-R300 PolarHBondContact O-N 3Å; R300-K307 PolarHBondContact O-NZ 2.82Å; R300-E512 IonicContact CZ-OE1 2.85Å; R300-E512 IonicContact NH1-OE1 2.66Å; R300-E512 PolarHBondContact NH1-OE1 2.98Å; R300-E512 IonicContact NH2-OE1 3.53Å; R300-E512 PolarHBondContact NH2-OE1 2.82Å
301	G	70.8	Confident	70.2	Confident	76 Å²	76	72.6 Å²	72.6	78%	0.784	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	6.4	177.4	0	0	0	0	0	115	P299	P299-G301 PolarHBondContact O-N 2.78Å; P299-G301 VanDerWaalsContact O-N 3.15Å
302	Y	75.9	Confident	69	Low	4 Å²	4	78.4 Å²	78.4	2%	0.016	41%	0.41	C	S	.	.			trans	-59.7	130.2	178.9	-172.7	-102.3	0	0	0	109.3	D245 K264 D265 W291 I298 P299 V304	D245-Y302 WeakPolarHBondContact CB-OH 3.44Å; D245-Y302 VanDerWaalsContact CG-OH 3.26Å; D245-Y302 PolarHBondContact OD2-OH 3.35Å; K264-Y302 PolarHBondContact O-OH 3.28Å; D265-Y302 WeakPolarHBondContact CA-OH 3.33Å; W291-Y302 AromaticContact CD1-CD2 3.97Å; W291-Y302 AromaticContact CD1-CE2 3.61Å; W291-Y302 AromaticContact CE2-CE2 3.74Å; W291-Y302 AromaticContact CE2-CZ 3.97Å; W291-Y302 HydrophobicContact CZ2-CE1 4.43Å; W291-Y302 HydrophobicContact CZ2-CE2 4.26Å; W291-Y302 AromaticContact NE1-CD2 3.72Å; W291-Y302 AromaticContact NE1-CE2 3.04Å; W291-Y302 AromaticContact NE1-CZ 3.55Å; I298-Y302 HydrophobicContact CG2-CD1 4.04Å; I298-Y302 HydrophobicContact CG2-CG 4.22Å; P299-Y302 WeakPolarHBondContact O-CB 3.46Å; P299-Y302 PolarHBondContact O-N 3.04Å; Y302-V304 HydrophobicContact CD1-CG1 4.06Å; Y302-V304 HydrophobicContact CE1-CG1 4.36Å; Y302-V304 WeakPolarHBondContact O-CG2 3.29Å; Y302-V304 PolarHBondContact O-N 2.81Å
303	P	65.7	Low	68.1	Low	18 Å²	18	80.9 Å²	80.9	12%	0.117	43%	0.428	C	S	.	.			trans	-73.7	63.7	-178.2	33.7	-40.5	0	0	0	110.7	V244 R288 P305	V244-P303 HydrophobicContact CG1-CB 4.33Å; V244-P303 HydrophobicContact CG1-CG 3.53Å; R288-P303 HydrophobicContact CB-CG 3.83Å; R288-P303 HydrophobicContact CG-CG 4.35Å; P303-P305 VanDerWaalsContact O-CD 3.3Å; P303-P305 WeakPolarHBondContact O-CD 3.21Å
304	V	65.4	Low	67.2	Low	22 Å²	22	80.1 Å²	80.1	13%	0.133	43%	0.426	C	S	.	.			trans	-62.2	120.1	165.2	-103.5	0	0	0	0	107.2	Q266 Y302 F306 K307	Q266-V304 HydrophobicContact CB-CG1 3.82Å; Q266-V304 HydrophobicContact CG-CG1 3.63Å; Y302-V304 HydrophobicContact CD1-CG1 4.06Å; Y302-V304 HydrophobicContact CE1-CG1 4.36Å; Y302-V304 WeakPolarHBondContact O-CG2 3.29Å; Y302-V304 PolarHBondContact O-N 2.81Å; V304-F306 PolarHBondContact O-N 3.22Å; V304-K307 HydrophobicContact CG2-CB 4.05Å; V304-K307 HydrophobicContact CG2-CD 3.77Å; V304-K307 HydrophobicContact CG2-CG 3.72Å; V304-K307 PolarHBondContact O-N 3.36Å
305	P	59	Low	66.5	Low	15 Å²	15	87.5 Å²	87.5	10%	0.097	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-24.3	179.7	-27.5	34.8	0	0	0	113.4	T267 P303 Q308 I314 T322	T267-P305 HydrophobicContact CG2-CB 3.95Å; T267-P305 HydrophobicContact CG2-CG 3.61Å; P303-P305 VanDerWaalsContact O-CD 3.3Å; P303-P305 WeakPolarHBondContact O-CD 3.21Å; P305-Q308 CarbonylContact O-C 3.6Å; P305-Q308 PolarHBondContact O-N 2.96Å; P305-I314 HydrophobicContact CG-CD1 4.03Å; P305-T322 HydrophobicContact CB-CG2 4.5Å
306	F	54.5	Low	66.2	Low	146 Å²	146	82.6 Å²	82.6	64%	0.64	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-33.6	175.1	-177.6	-100.1	0	0	0	114.9	V304 Q308 S324	V304-F306 PolarHBondContact O-N 3.22Å; F306-Q308 CarbonylContact C-O 3.51Å; F306-S324 WeakPolarHBondContact CD2-OG 3.06Å
307	K	52.9	Low	66.3	Low	145 Å²	145	79.2 Å²	79.2	63%	0.63	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-24.1	173.5	-78.3	-172.8	179.5	177.7	0	111.3	R300 V304	R300-K307 PolarHBondContact O-NZ 2.82Å; V304-K307 HydrophobicContact CG2-CB 4.05Å; V304-K307 HydrophobicContact CG2-CD 3.77Å; V304-K307 HydrophobicContact CG2-CG 3.72Å; V304-K307 PolarHBondContact O-N 3.36Å
308	Q	51.6	Low	66.6	Low	70 Å²	70	76 Å²	76	33%	0.327	40%	0.396	S	S	.	.	S	Bend	trans	-80.2	137.3	168.5	-63.3	-177.5	12.5	0	0	107.3	P305 F306 P310	P305-Q308 CarbonylContact O-C 3.6Å; P305-Q308 PolarHBondContact O-N 2.96Å; F306-Q308 CarbonylContact C-O 3.51Å; Q308-P310 WeakPolarHBondContact O-CD 3.12Å
309	N	48	Very low	67.2	Low	102 Å²	102	74.2 Å²	74.2	55%	0.545	39%	0.388	S	S	.	.			trans	-48.7	119	178.8	-161.7	-22.3	0	0	0	108.2	S311 K312	N309-S311 PolarHBondContact O-N 3.24Å; N309-S311 PolarHBondContact OD1-OG 3.49Å; N309-K312 PolarHBondContact O-N 3.25Å
310	P	49	Very low	67.7	Low	109 Å²	109	75.7 Å²	75.7	71%	0.708	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.7	-172.2	17.3	-29.9	0	0	0	112.8	Q308 K312	Q308-P310 WeakPolarHBondContact O-CD 3.12Å; P310-K312 PolarHBondContact O-N 3.19Å
311	S	47.8	Very low	68.6	Low	85 Å²	85	69.2 Å²	69.2	59%	0.594	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-12	170.4	59	0	0	0	0	115.3	N309 P313	N309-S311 PolarHBondContact O-N 3.24Å; N309-S311 PolarHBondContact OD1-OG 3.49Å; S311-P313 VanDerWaalsContact C-CD 3.48Å; S311-P313 VanDerWaalsContact O-CD 3.25Å; S311-P313 WeakPolarHBondContact O-CD 2.88Å
312	K	58.6	Low	69.7	Low	152 Å²	152	68 Å²	68	66%	0.661	35%	0.352	S	S	*	.	S	Bend	trans	-115.6	79.5	178.2	-71.4	-174.3	179.3	-179.4	0	109.1	N309 P310	N309-K312 PolarHBondContact O-N 3.25Å; P310-K312 PolarHBondContact O-N 3.19Å
313	P	65.4	Low	70.5	Confident	87 Å²	87	67.8 Å²	67.8	57%	0.565	35%	0.351	S	S	*	.			trans	-52.7	148.1	170.1	23	-32.9	0	0	0	109.7	S311 R315 D317	S311-P313 VanDerWaalsContact C-CD 3.48Å; S311-P313 VanDerWaalsContact O-CD 3.25Å; S311-P313 WeakPolarHBondContact O-CD 2.88Å; P313-R315 PolarHBondContact O-N 3.36Å; P313-D317 HydrophobicContact CB-CB 4.05Å
314	I	69.8	Low	71.7	Confident	13 Å²	13	68.4 Å²	68.4	7%	0.067	36%	0.356	C	S	.	.			trans	-57.1	142	178.5	-66.1	149	0	0	0	108.2	V244 P305 G316 D317	V244-I314 HydrophobicContact CG2-CD1 3.18Å; V244-I314 HydrophobicContact CG2-CG1 4.3Å; P305-I314 HydrophobicContact CG-CD1 4.03Å; I314-G316 PolarHBondContact O-N 2.9Å; I314-D317 HydrophobicContact CB-CB 4.47Å; I314-D317 WeakPolarHBondContact O-CB 3.31Å; I314-D317 PolarHBondContact O-N 3.34Å
315	R	71.3	Confident	72.8	Confident	233 Å²	233	69.1 Å²	69.1	88%	0.879	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	115.4	178.7	-177.5	-179.2	179.3	-173.6	-0.6	109.7	P313	P313-R315 PolarHBondContact O-N 3.36Å
316	G	79.5	Confident	74.3	Confident	19 Å²	19	68.6 Å²	68.6	20%	0.196	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	0.3	177.8	0	0	0	0	0	116	S241 R277 I314 N318	S241-G316 VanDerWaalsContact O-O 3.14Å; S241-G316 PolarHBondContact OG-O 3.13Å; R277-G316 PolarHBondContact NH2-O 2.98Å; I314-G316 PolarHBondContact O-N 2.9Å; G316-N318 PolarHBondContact O-N 2.89Å
317	D	87.7	Confident	76.1	Confident	24 Å²	24	65.5 Å²	65.5	13%	0.128	35%	0.35	C	S	.	.			trans	-60.9	115.3	169.9	-172.2	-5.7	0	0	0	110.8	S241 K269 P313 I314 S319	S241-D317 VanDerWaalsContact O-CA 3.27Å; S241-D317 WeakPolarHBondContact O-CA 3.47Å; K269-D317 IonicContact NZ-OD1 3.18Å; K269-D317 IonicContact NZ-OD2 2.7Å; K269-D317 PolarHBondContact NZ-OD2 2.92Å; P313-D317 HydrophobicContact CB-CB 4.05Å; I314-D317 HydrophobicContact CB-CB 4.47Å; I314-D317 WeakPolarHBondContact O-CB 3.31Å; I314-D317 PolarHBondContact O-N 3.34Å; D317-S319 VanDerWaalsContact CG-OG 3.27Å; D317-S319 WeakPolarHBondContact OD1-CB 3.46Å; D317-S319 PolarHBondContact OD1-N 2.67Å; D317-S319 PolarHBondContact OD1-OG 3.06Å; D317-S319 PolarHBondContact OD2-OG 2.67Å
318	N	90	Very high	78	Confident	13 Å²	13	58.6 Å²	58.6	7%	0.07	32%	0.32	C	S	.	.			trans	-102	10.9	175.2	62.2	-46.2	0	0	0	113.8	S241 W271 K275 G316	S241-N318 PolarHBondContact N-OD1 2.59Å; S241-N318 PolarHBondContact O-N 3.42Å; S241-N318 VanDerWaalsContact O-N 3.17Å; S241-N318 PolarHBondContact O-OD1 3.21Å; W271-N318 WeakPolarHBondContact CZ3-OD1 3.2Å; K275-N318 VanDerWaalsContact CD-O 3.23Å; K275-N318 WeakPolarHBondContact CD-O 3.36Å; K275-N318 VanDerWaalsContact CE-O 3.26Å; K275-N318 WeakPolarHBondContact CE-O 3.29Å; K275-N318 PolarHBondContact NZ-O 2.63Å; K275-N318 PolarHBondContact O-ND2 3.1Å; G316-N318 PolarHBondContact O-N 2.89Å
319	S	92.2	Very high	79.9	Confident	12 Å²	12	56.7 Å²	56.7	8%	0.084	31%	0.31	C	S	.	.			trans	-62	158	175	63	0	0	0	0	112.4	W271 K275 D317	W271-S319 VanDerWaalsContact CZ3-N 3.27Å; K275-S319 PolarHBondContact NZ-O 2.95Å; D317-S319 VanDerWaalsContact CG-OG 3.27Å; D317-S319 WeakPolarHBondContact OD1-CB 3.46Å; D317-S319 PolarHBondContact OD1-N 2.67Å; D317-S319 PolarHBondContact OD1-OG 3.06Å; D317-S319 PolarHBondContact OD2-OG 2.67Å
320	V	93.2	Very high	81.8	Confident	72 Å²	72	55 Å²	55	44%	0.436	30%	0.302	S	S	.	.	S	Bend	trans	-84	-43.5	173.5	179.1	0	0	0	0	109.8	Y258 L270 D272	Y258-V320 HydrophobicContact CE1-CG2 4.4Å; L270-V320 HydrophobicContact CD2-CB 4.38Å; L270-V320 HydrophobicContact CD2-CG1 4.31Å; L270-V320 HydrophobicContact CG-CB 4.41Å; L270-V320 PolarHBondContact O-N 3.08Å; D272-V320 HydrophobicContact CB-CG2 3.68Å
321	L	93	Very high	83.8	Confident	37 Å²	37	50.2 Å²	50.2	19%	0.194	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143	-174.8	-177.4	63.4	0	0	0	110.1	K269 L270 L323 L362	K269-L321 WeakPolarHBondContact CA-O 3.43Å; L270-L321 HydrophobicContact CB-CB 3.96Å; L270-L321 HydrophobicContact CD2-CB 4.36Å; L270-L321 PolarHBondContact N-O 2.89Å; L270-L321 PolarHBondContact O-N 3.15Å; L321-L323 HydrophobicContact CD2-CD2 3.62Å; L321-L323 HydrophobicContact CD2-CG 4.37Å; L321-L323 HydrophobicContact CG-CD2 3.88Å; L321-L323 HydrophobicContact CG-CG 4.43Å; L321-L362 HydrophobicContact CD2-CD2 4.36Å; L321-L362 VanDerWaalsContact CD2-O 3.26Å; L321-L362 WeakPolarHBondContact CD2-O 3.21Å
322	T	92.6	Very high	86	Confident	49 Å²	49	46.9 Å²	46.9	30%	0.301	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.7	170.5	-59.4	0	0	0	0	108.8	T267 K269 P305	T267-T322 HydrophobicContact CG2-CG2 3.94Å; K269-T322 HydrophobicContact CG-CG2 4.36Å; K269-T322 PolarHBondContact NZ-OG1 3.22Å; P305-T322 HydrophobicContact CB-CG2 4.5Å
323	L	93.6	Very high	87.8	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.7	176.5	-53.5	175	0	0	0	108.7	T267 V268 L321 A348 W360 L362	T267-L323 WeakPolarHBondContact CA-O 3.31Å; T267-L323 WeakPolarHBondContact CB-O 3.34Å; V268-L323 HydrophobicContact CB-CB 4.13Å; V268-L323 HydrophobicContact CB-CD1 4.33Å; V268-L323 HydrophobicContact CG1-CD1 4.13Å; V268-L323 PolarHBondContact N-O 2.66Å; V268-L323 PolarHBondContact O-N 3.39Å; L321-L323 HydrophobicContact CD2-CD2 3.62Å; L321-L323 HydrophobicContact CD2-CG 4.37Å; L321-L323 HydrophobicContact CG-CD2 3.88Å; L321-L323 HydrophobicContact CG-CG 4.43Å; L323-A348 HydrophobicContact CD1-CB 3.86Å; L323-W360 HydrophobicContact CB-CD2 4.08Å; L323-W360 HydrophobicContact CB-CG 4.01Å; L323-W360 HydrophobicContact CD1-CB 3.9Å; L323-W360 HydrophobicContact CD1-CD2 4.17Å; L323-W360 HydrophobicContact CD1-CE3 4.27Å; L323-W360 HydrophobicContact CD1-CG 4.03Å; L323-W360 HydrophobicContact CD2-CB 3.8Å; L323-W360 HydrophobicContact CD2-CG 3.99Å; L323-W360 HydrophobicContact CG-CB 4.32Å; L323-W360 HydrophobicContact CG-CG 4.24Å; L323-L362 HydrophobicContact CD1-CD2 3.94Å
324	S	90.8	Very high	89.3	Confident	31 Å²	31	35.7 Å²	35.7	22%	0.217	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	162.2	-176.7	60	0	0	0	0	111.1	F306 W360	F306-S324 WeakPolarHBondContact CD2-OG 3.06Å; S324-W360 PolarHBondContact O-NE1 3.47Å
325	G	87.6	Confident	90.7	Very high	38 Å²	38	35.2 Å²	35.2	39%	0.392	19%	0.186	S	C	.	.			trans	137	-38.2	175.3	0	0	0	0	0	111.6	Y358	G325-Y358 PolarHBondContact O-OH 3.46Å
326	H	92.2	Very high	92	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.019	15%	0.148	C	C	.	.			trans	-72.6	160.2	173.9	71.4	-56.8	0	0	0	111.5	N262 V328 Y358 W360	N262-H326 PolarHBondContact OD1-NE2 2.92Å; H326-V328 WeakPolarHBondContact NE2-CG2 3.19Å; H326-Y358 HydrophobicContact CB-CD2 3.53Å; H326-Y358 HydrophobicContact CB-CE2 3.86Å; H326-Y358 HydrophobicContact CB-CG 4.2Å; H326-W360 HydrophobicContact CB-CH2 4.07Å; H326-W360 HydrophobicContact CB-CZ2 4.21Å; H326-W360 AromaticContact CG-CH2 3.81Å; H326-W360 AromaticContact ND1-CH2 3.54Å; H326-W360 AromaticContact ND1-CZ2 3.5Å; H326-W360 WeakPolarHBondContact ND1-CZ2 3.41Å
327	K	91.4	Very high	92.8	Very high	80 Å²	80	24.9 Å²	24.9	35%	0.348	14%	0.142	S	C	.	.			trans	-113.4	129.7	175	-65.7	-177.8	178.9	-178.6	0	108.8	I333 S352 A353 Y354	K327-I333 VanDerWaalsContact O-CD1 3.24Å; K327-I333 WeakPolarHBondContact O-CD1 3.36Å; K327-S352 PolarHBondContact N-OG 3.28Å; K327-S352 CarbonylContact O-C 3.52Å; K327-S352 WeakPolarHBondContact O-CA 3.35Å; K327-S352 PolarHBondContact O-OG 3.08Å; K327-A353 HydrophobicContact CB-CB 4.03Å; K327-A353 PolarHBondContact O-N 2.89Å; K327-Y354 HydrophobicContact CD-CD2 4.01Å; K327-Y354 HydrophobicContact CD-CE2 3.94Å
328	V	92.5	Very high	93.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.			trans	-105.3	99.9	177.2	-178.1	0	0	0	0	108.5	T248 S263 Q266 H326 I333	T248-V328 HydrophobicContact CG2-CG1 3.91Å; S263-V328 WeakPolarHBondContact O-CG2 2.95Å; Q266-V328 PolarHBondContact NE2-O 2.96Å; H326-V328 WeakPolarHBondContact NE2-CG2 3.19Å; V328-I333 HydrophobicContact CG1-CB 4.24Å; V328-I333 HydrophobicContact CG1-CG1 4.26Å; V328-I333 HydrophobicContact CG2-CB 4.34Å
329	R	90.8	Very high	93.4	Very high	30 Å²	30	24 Å²	24	11%	0.113	14%	0.138	C	C	.	.			trans	-145.4	167.4	179.8	-67	-172.9	66.6	177.6	-4.5	110.7	Y293 I295 H296 I298 T331 A353 Y354	Y293-R329 CarbonylContact O-C 3.6Å; Y293-R329 WeakPolarHBondContact O-CA 3.27Å; Y293-R329 WeakPolarHBondContact O-CB 3.44Å; I295-R329 PolarHBondContact O-NH2 3.38Å; H296-R329 PolarHBondContact O-NE 3.42Å; H296-R329 PolarHBondContact O-NH2 2.88Å; I298-R329 HydrophobicContact CG1-CG 4.47Å; R329-T331 PolarHBondContact O-N 3.28Å; R329-A353 HydrophobicContact CB-CB 3.83Å; R329-A353 HydrophobicContact CG-CB 4.46Å; R329-Y354 VanDerWaalsContact CZ-OH 3.22Å; R329-Y354 PolarHBondContact NH1-OH 3.48Å
330	N	87.8	Confident	93.3	Very high	68 Å²	68	26.4 Å²	26.4	36%	0.364	16%	0.158	S	C	.	.	S	Bend	trans	69	-42.3	174	-55.6	4.7	0	0	0	113.9	Y293 R294 T377	Y293-N330 PolarHBondContact O-N 3.14Å; R294-N330 PolarHBondContact O-OD1 2.9Å; N330-T377 PolarHBondContact ND2-OG1 2.98Å
331	T	91.8	Very high	93	Very high	8 Å²	8	28 Å²	28	5%	0.049	16%	0.16	C	C	.	.	S	Bend	trans	-144.5	164.6	176.6	-175.7	0	0	0	0	109.5	R329 I333 T377 R379	R329-T331 PolarHBondContact O-N 3.28Å; T331-I333 PolarHBondContact O-N 2.89Å; T331-T377 HydrophobicContact CG2-CG2 3.81Å; T331-R379 HydrophobicContact CG2-CB 4.12Å; T331-R379 HydrophobicContact CG2-CG 4.34Å
332	L	94.6	Very high	92.6	Very high	15 Å²	15	26.3 Å²	26.3	8%	0.079	15%	0.151	C	C	.	.			trans	-57.2	138.5	168.8	-59.3	176.2	0	0	0	105.8	N203 T248 Y293 R379	N203-L332 HydrophobicContact CB-CD1 4.03Å; T248-L332 HydrophobicContact CG2-CB 4.35Å; T248-L332 HydrophobicContact CG2-CD2 3.71Å; Y293-L332 HydrophobicContact CE2-CD2 4.33Å; Y293-L332 WeakPolarHBondContact OH-CD2 3.31Å; L332-R379 WeakPolarHBondContact O-CD 3.46Å; L332-R379 PolarHBondContact O-NE 3.04Å; L332-R379 PolarHBondContact O-NH1 2.83Å
333	I	95.8	Very high	92.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.138	C	C	.	.			trans	-109.7	147.1	177	-65.7	-171.5	0	0	0	108.7	T248 N262 K327 V328 T331 G351 T377	T248-I333 PolarHBondContact OG1-O 3.46Å; T248-I333 VanDerWaalsContact OG1-O 3.1Å; N262-I333 PolarHBondContact ND2-O 2.86Å; K327-I333 VanDerWaalsContact O-CD1 3.24Å; K327-I333 WeakPolarHBondContact O-CD1 3.36Å; V328-I333 HydrophobicContact CG1-CB 4.24Å; V328-I333 HydrophobicContact CG1-CG1 4.26Å; V328-I333 HydrophobicContact CG2-CB 4.34Å; T331-I333 PolarHBondContact O-N 2.89Å; I333-G351 WeakPolarHBondContact CG2-O 3.47Å; I333-T377 HydrophobicContact CD1-CG2 4Å; I333-T377 HydrophobicContact CG1-CG2 4.41Å
334	R	97.6	Very high	92.2	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.011	16%	0.161	C	C	.	.			trans	-97.4	141.3	178.5	-56.2	-170.6	171.5	-173.2	-11.4	111.3	C62 V107 S108 Y249 S350 R379 D380	C62-R334 PolarHBondContact SG-NH2 2.8Å; C62-R334 VanDerWaalsContact SG-NH2 3.37Å; V107-R334 PolarHBondContact O-NH2 3.05Å; S108-R334 PolarHBondContact OG-NH2 2.84Å; Y249-R334 HydrophobicContact CD1-CB 3.68Å; Y249-R334 HydrophobicContact CD1-CG 3.96Å; Y249-R334 HydrophobicContact CD2-CB 4.33Å; Y249-R334 HydrophobicContact CD2-CG 3.67Å; Y249-R334 HydrophobicContact CE1-CB 4.04Å; Y249-R334 HydrophobicContact CE1-CG 4.22Å; Y249-R334 HydrophobicContact CE2-CG 3.99Å; Y249-R334 HydrophobicContact CG-CB 3.83Å; Y249-R334 HydrophobicContact CG-CG 3.66Å; R334-S350 WeakPolarHBondContact O-CA 3.41Å; R334-S350 PolarHBondContact O-OG 3.18Å; R334-S350 VanDerWaalsContact O-OG 3.11Å; R334-R379 PolarHBondContact N-O 2.88Å; R334-D380 VanDerWaalsContact CD-OD2 3.25Å; R334-D380 WeakPolarHBondContact CD-OD2 3.43Å; R334-D380 HydrophobicContact CG-CB 4.5Å; R334-D380 IonicContact CZ-OD2 2.79Å; R334-D380 IonicContact NE-OD2 3.43Å; R334-D380 IonicContact NH1-OD2 3.72Å; R334-D380 PolarHBondContact NH1-OD2 3.34Å
335	A	98	Very high	92.2	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.033	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.9	169.7	0	0	0	0	0	109.1	Y249 D251 N262 V268 Y349	Y249-A335 WeakPolarHBondContact CD1-O 3.22Å; D251-A335 WeakPolarHBondContact CB-O 3.41Å; N262-A335 HydrophobicContact CB-CB 3.87Å; V268-A335 HydrophobicContact CB-CB 4.5Å; V268-A335 HydrophobicContact CG1-CB 4.16Å; V268-A335 HydrophobicContact CG2-CB 3.48Å; V268-A335 VanDerWaalsContact CG2-CB 3.48Å; A335-Y349 CarbonylContact C-O 3.53Å; A335-Y349 VanDerWaalsContact CA-O 3.23Å; A335-Y349 WeakPolarHBondContact CA-O 3.15Å
336	R	98.3	Very high	92.5	Very high	21 Å²	21	29.7 Å²	29.7	8%	0.079	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	159.2	-173.4	-61.6	177.2	-174.5	-82.8	4.9	112.2	Y249 D251 A348 Y349 D380 I381	Y249-R336 HydrophobicContact CE1-CG 4.25Å; Y249-R336 PolarHBondContact OH-NH1 2.71Å; Y249-R336 PolarHBondContact OH-NH2 2.66Å; Y249-R336 VanDerWaalsContact OH-NH2 3.16Å; D251-R336 IonicContact OD1-NH1 3.83Å; D251-R336 WeakPolarHBondContact OD2-CA 3.37Å; R336-A348 CarbonylContact O-C 3.58Å; R336-A348 VanDerWaalsContact O-CA 3.28Å; R336-A348 WeakPolarHBondContact O-CA 3.3Å; R336-Y349 HydrophobicContact CB-CE1 4.06Å; R336-Y349 HydrophobicContact CB-CE2 3.95Å; R336-Y349 WeakPolarHBondContact CD-OH 3.22Å; R336-Y349 HydrophobicContact CG-CE2 4.5Å; R336-Y349 PolarHBondContact N-O 3.44Å; R336-Y349 PolarHBondContact O-N 3.02Å; R336-D380 IonicContact CZ-OD1 3.03Å; R336-D380 IonicContact CZ-OD2 3.54Å; R336-D380 IonicContact NE-OD1 3.83Å; R336-D380 PolarHBondContact NE-OD1 3.15Å; R336-D380 IonicContact NH2-OD1 3.08Å; R336-D380 PolarHBondContact NH2-OD1 3.39Å; R336-D380 IonicContact NH2-OD2 3.83Å; R336-D380 PolarHBondContact NH2-OD2 2.96Å; R336-I381 WeakPolarHBondContact CD-O 3.48Å; R336-I381 PolarHBondContact NE-O 3.4Å
337	F	97.9	Very high	92.7	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.057	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	145.1	164.7	-71.1	-83.4	0	0	0	111	D251 K253 L260 L270 Y349 L362	D251-F337 WeakPolarHBondContact O-CE2 3.34Å; D251-F337 WeakPolarHBondContact OD2-CD2 3.19Å; D251-F337 PolarHBondContact OD2-N 2.66Å; K253-F337 HydrophobicContact CB-CD2 4.08Å; K253-F337 HydrophobicContact CB-CE1 4.11Å; K253-F337 HydrophobicContact CB-CE2 3.61Å; K253-F337 HydrophobicContact CB-CZ 3.61Å; K253-F337 HydrophobicContact CD-CD1 4.35Å; K253-F337 HydrophobicContact CD-CE1 3.84Å; K253-F337 HydrophobicContact CD-CZ 4.09Å; K253-F337 HydrophobicContact CG-CD1 4.02Å; K253-F337 HydrophobicContact CG-CD2 4.34Å; K253-F337 HydrophobicContact CG-CE1 3.82Å; K253-F337 HydrophobicContact CG-CE2 4.15Å; K253-F337 HydrophobicContact CG-CG 4.27Å; K253-F337 HydrophobicContact CG-CZ 3.87Å; L260-F337 HydrophobicContact CB-CE2 4.13Å; L260-F337 HydrophobicContact CB-CZ 4.45Å; L260-F337 HydrophobicContact CD1-CD1 3.9Å; L260-F337 HydrophobicContact CD1-CD2 3.66Å; L260-F337 HydrophobicContact CD1-CE1 3.91Å; L260-F337 HydrophobicContact CD1-CE2 3.68Å; L260-F337 HydrophobicContact CD1-CG 3.79Å; L260-F337 HydrophobicContact CD1-CZ 3.83Å; L260-F337 HydrophobicContact CD2-CE1 4.33Å; L260-F337 HydrophobicContact CD2-CZ 4.11Å; L260-F337 HydrophobicContact CG-CD1 4.4Å; L260-F337 HydrophobicContact CG-CD2 4.01Å; L260-F337 HydrophobicContact CG-CE1 3.91Å; L260-F337 HydrophobicContact CG-CE2 3.47Å; L260-F337 VanDerWaalsContact CG-CE2 3.47Å; L260-F337 HydrophobicContact CG-CG 4.45Å; L260-F337 HydrophobicContact CG-CZ 3.43Å; L260-F337 VanDerWaalsContact CG-CZ 3.43Å; L270-F337 HydrophobicContact CD1-CE1 3.99Å; L270-F337 HydrophobicContact CD1-CZ 3.73Å; F337-Y349 VanDerWaalsContact O-CE1 3.31Å; F337-Y349 WeakPolarHBondContact O-CE1 3.47Å; F337-L362 HydrophobicContact CD1-CD1 3.6Å; F337-L362 HydrophobicContact CE1-CD1 3.52Å
338	S	96.2	Very high	93	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-64.9	157.3	167.2	53.6	0	0	0	0	112	T343 Q345 R346 F347 W383	S338-T343 WeakPolarHBondContact CB-OG1 3.44Å; S338-T343 PolarHBondContact OG-OG1 3.13Å; S338-Q345 WeakPolarHBondContact O-CA 3.29Å; S338-Q345 VanDerWaalsContact O-CG 3.29Å; S338-Q345 WeakPolarHBondContact O-CG 3.44Å; S338-Q345 WeakPolarHBondContact OG-CA 3.46Å; S338-R346 PolarHBondContact OG-N 3.44Å; S338-F347 WeakPolarHBondContact CB-O 3.46Å; S338-F347 PolarHBondContact N-O 2.77Å; S338-F347 WeakPolarHBondContact OG-CA 3.32Å; S338-F347 WeakPolarHBondContact OG-CB 2.95Å; S338-F347 PolarHBondContact OG-N 2.85Å; S338-F347 PolarHBondContact OG-O 3.14Å; S338-W383 VanDerWaalsContact CB-CZ3 3.49Å
339	P	93.9	Very high	93.3	Very high	19 Å²	19	26.2 Å²	26.2	12%	0.123	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-68.2	143.6	-172.2	-9	20.9	0	0	0	112.6	F341 N342 T343 G344 Q345 W383 H384 P385	P339-F341 VanDerWaalsContact C-N 3.35Å; P339-F341 PolarHBondContact O-N 3.15Å; P339-N342 VanDerWaalsContact CB-OD1 3.27Å; P339-N342 WeakPolarHBondContact CB-OD1 3.44Å; P339-N342 WeakPolarHBondContact CD-OD1 3.31Å; P339-N342 VanDerWaalsContact CG-OD1 3.29Å; P339-N342 WeakPolarHBondContact CG-OD1 3.48Å; P339-N342 PolarHBondContact O-OD1 2.7Å; P339-T343 PolarHBondContact O-N 3.38Å; P339-T343 PolarHBondContact O-OG1 3.45Å; P339-G344 PolarHBondContact O-N 3.19Å; P339-Q345 PolarHBondContact O-N 2.95Å; P339-W383 HydrophobicContact CG-CB 3.83Å; P339-W383 HydrophobicContact CG-CD2 4.14Å; P339-W383 HydrophobicContact CG-CG 3.71Å; P339-H384 WeakPolarHBondContact CG-O 3.47Å; P339-P385 WeakPolarHBondContact CB-O 3.45Å
340	A	90.5	Very high	93.6	Very high	61 Å²	61	24.8 Å²	24.8	50%	0.504	14%	0.137	S	C	.	.	H	α-helix	trans	-63.9	-38.2	-179.8	0	0	0	0	0	113.1	G344 Q345	A340-G344 VanDerWaalsContact O-CA 3.22Å; A340-G344 WeakPolarHBondContact O-CA 3.14Å; A340-G344 PolarHBondContact O-N 3.18Å; A340-Q345 HydrophobicContact CB-CG 3.83Å
341	F	87.1	Confident	94	Very high	107 Å²	107	21.6 Å²	21.6	47%	0.469	12%	0.12	S	C	.	.	H	α-helix	trans	-65.7	-52.8	-173.2	-177.6	-95.1	0	0	0	113.1	S39 P339 Y386	S39-F341 PolarHBondContact OG-O 3Å; P339-F341 VanDerWaalsContact C-N 3.35Å; P339-F341 PolarHBondContact O-N 3.15Å; F341-Y386 HydrophobicContact CB-CD1 4.04Å; F341-Y386 HydrophobicContact CB-CE1 4.42Å; F341-Y386 AromaticContact CD1-CD1 3.86Å; F341-Y386 HydrophobicContact CD1-CD1 3.86Å; F341-Y386 HydrophobicContact CD2-CD1 4.02Å; F341-Y386 HydrophobicContact CD2-CE1 4.34Å; F341-Y386 HydrophobicContact CE1-CD1 4.3Å; F341-Y386 HydrophobicContact CE2-CD1 4.44Å; F341-Y386 AromaticContact CG-CD1 3.71Å; F341-Y386 HydrophobicContact CG-CD1 3.71Å; F341-Y386 HydrophobicContact CG-CE1 4.32Å
342	N	83.6	Confident	94.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-91.9	-25.4	-172.8	57.7	6.9	0	0	0	113.6	S39 L42 P339 E387	S39-N342 WeakPolarHBondContact CA-O 3.37Å; L42-N342 HydrophobicContact CB-CB 4.36Å; L42-N342 VanDerWaalsContact CB-O 3.26Å; L42-N342 WeakPolarHBondContact CB-O 3.33Å; L42-N342 HydrophobicContact CD1-CB 4.14Å; P339-N342 VanDerWaalsContact CB-OD1 3.27Å; P339-N342 WeakPolarHBondContact CB-OD1 3.44Å; P339-N342 WeakPolarHBondContact CD-OD1 3.31Å; P339-N342 VanDerWaalsContact CG-OD1 3.29Å; P339-N342 WeakPolarHBondContact CG-OD1 3.48Å; P339-N342 PolarHBondContact O-OD1 2.7Å; N342-E387 PolarHBondContact ND2-O 3.13Å
343	T	88.8	Confident	93.8	Very high	6 Å²	6	20.5 Å²	20.5	4%	0.037	11%	0.114	C	C	.	.	H	α-helix	trans	-122.5	-7.9	-176.1	68.2	0	0	0	0	114.4	S338 P339 Q345 R346 F347 W383	S338-T343 WeakPolarHBondContact CB-OG1 3.44Å; S338-T343 PolarHBondContact OG-OG1 3.13Å; P339-T343 PolarHBondContact O-N 3.38Å; P339-T343 PolarHBondContact O-OG1 3.45Å; T343-Q345 PolarHBondContact O-N 2.82Å; T343-Q345 PolarHBondContact OG1-N 3.37Å; T343-R346 VanDerWaalsContact O-CB 3.31Å; T343-R346 WeakPolarHBondContact O-CB 3.38Å; T343-R346 PolarHBondContact O-N 2.9Å; T343-F347 HydrophobicContact CG2-CD2 4.01Å; T343-F347 HydrophobicContact CG2-CE2 4.17Å; T343-W383 HydrophobicContact CG2-CH2 3.74Å; T343-W383 HydrophobicContact CG2-CZ2 3.88Å; T343-W383 HydrophobicContact CG2-CZ3 4.25Å
344	G	88	Confident	93.4	Very high	46 Å²	46	24.5 Å²	24.5	47%	0.474	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	24.4	-173.6	0	0	0	0	0	113.4	P339 A340 R346	P339-G344 PolarHBondContact O-N 3.19Å; A340-G344 VanDerWaalsContact O-CA 3.22Å; A340-G344 WeakPolarHBondContact O-CA 3.14Å; A340-G344 PolarHBondContact O-N 3.18Å; G344-R346 PolarHBondContact O-N 2.8Å
345	Q	92.5	Very high	92.8	Very high	32 Å²	32	24.4 Å²	24.4	15%	0.15	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	31.5	-172.6	-49.8	178.4	-64.5	0	0	113.5	K253 S338 P339 A340 T343 F347	K253-Q345 PolarHBondContact O-NE2 2.94Å; K253-Q345 PolarHBondContact O-OE1 2.83Å; S338-Q345 WeakPolarHBondContact O-CA 3.29Å; S338-Q345 VanDerWaalsContact O-CG 3.29Å; S338-Q345 WeakPolarHBondContact O-CG 3.44Å; S338-Q345 WeakPolarHBondContact OG-CA 3.46Å; P339-Q345 PolarHBondContact O-N 2.95Å; A340-Q345 HydrophobicContact CB-CG 3.83Å; T343-Q345 PolarHBondContact O-N 2.82Å; T343-Q345 PolarHBondContact OG1-N 3.37Å; Q345-F347 VanDerWaalsContact C-N 3.26Å; Q345-F347 PolarHBondContact O-N 3.4Å
346	R	93.4	Very high	92.6	Very high	104 Å²	104	26.2 Å²	26.2	39%	0.392	14%	0.139	S	C	.	.			trans	-67.2	-30.4	179.8	175.5	177.8	173.1	-170.6	-1	112.6	S338 T343 G344 D361 L362	S338-R346 PolarHBondContact OG-N 3.44Å; T343-R346 VanDerWaalsContact O-CB 3.31Å; T343-R346 WeakPolarHBondContact O-CB 3.38Å; T343-R346 PolarHBondContact O-N 2.9Å; G344-R346 PolarHBondContact O-N 2.8Å; R346-D361 WeakPolarHBondContact CG-OD1 3.2Å; R346-D361 IonicContact CZ-OD1 3.58Å; R346-D361 IonicContact NE-OD1 3Å; R346-D361 PolarHBondContact NE-OD1 3.4Å; R346-D361 IonicContact NH2-OD1 3.26Å; R346-D361 PolarHBondContact NH2-OD1 3.02Å; R346-D361 IonicContact NH2-OD2 3.85Å; R346-D361 PolarHBondContact NH2-OD2 3Å; R346-L362 VanDerWaalsContact O-CB 3.26Å; R346-L362 WeakPolarHBondContact O-CB 3.48Å; R346-L362 WeakPolarHBondContact O-CG 3.45Å; R346-L362 PolarHBondContact O-N 2.95Å
347	F	96.6	Very high	92.4	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	153.8	-174.6	-48.8	-69.1	0	0	0	111.8	I46 S338 T343 Q345 I359 W360 D361 V368 W383	I46-F347 HydrophobicContact CD1-CE1 4.29Å; I46-F347 HydrophobicContact CD1-CE2 4.08Å; I46-F347 HydrophobicContact CD1-CZ 3.88Å; I46-F347 HydrophobicContact CG1-CE2 4.42Å; S338-F347 WeakPolarHBondContact CB-O 3.46Å; S338-F347 PolarHBondContact N-O 2.77Å; S338-F347 WeakPolarHBondContact OG-CA 3.32Å; S338-F347 WeakPolarHBondContact OG-CB 2.95Å; S338-F347 PolarHBondContact OG-N 2.85Å; S338-F347 PolarHBondContact OG-O 3.14Å; T343-F347 HydrophobicContact CG2-CD2 4.01Å; T343-F347 HydrophobicContact CG2-CE2 4.17Å; Q345-F347 VanDerWaalsContact C-N 3.26Å; Q345-F347 PolarHBondContact O-N 3.4Å; F347-I359 HydrophobicContact CB-CG2 3.71Å; F347-I359 HydrophobicContact CD1-CG2 4.18Å; F347-I359 HydrophobicContact CG-CG2 3.98Å; F347-W360 CarbonylContact C-O 3.39Å; F347-W360 WeakPolarHBondContact CA-O 3.36Å; F347-W360 WeakPolarHBondContact CB-O 3.48Å; F347-D361 HydrophobicContact CD1-CB 4.26Å; F347-D361 HydrophobicContact CE1-CB 4.33Å; F347-V368 HydrophobicContact CD1-CG2 4.16Å; F347-V368 HydrophobicContact CE1-CG2 4.05Å; F347-W383 HydrophobicContact CD2-CH2 4.2Å; F347-W383 HydrophobicContact CD2-CZ3 4.35Å
348	A	97.9	Very high	92.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	152.6	158	0	0	0	0	0	108.5	L260 L323 R336 I359 W360 L362	L260-A348 HydrophobicContact CD1-CB 3.66Å; L260-A348 HydrophobicContact CD2-CB 4.41Å; L323-A348 HydrophobicContact CD1-CB 3.86Å; R336-A348 CarbonylContact O-C 3.58Å; R336-A348 VanDerWaalsContact O-CA 3.28Å; R336-A348 WeakPolarHBondContact O-CA 3.3Å; A348-I359 CarbonylContact O-C 3.58Å; A348-I359 WeakPolarHBondContact O-CA 3.43Å; A348-W360 PolarHBondContact N-O 2.96Å; A348-W360 PolarHBondContact O-N 2.9Å; A348-L362 HydrophobicContact CB-CD2 3.81Å; A348-L362 HydrophobicContact CB-CG 4.26Å
349	Y	97.8	Very high	92.3	Very high	8 Å²	8	26.2 Å²	26.2	3%	0.031	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.5	177.1	65.1	-94.6	0	0	0	111.3	A335 R336 F337 Y358 I381 W383	A335-Y349 CarbonylContact C-O 3.53Å; A335-Y349 VanDerWaalsContact CA-O 3.23Å; A335-Y349 WeakPolarHBondContact CA-O 3.15Å; R336-Y349 HydrophobicContact CB-CE1 4.06Å; R336-Y349 HydrophobicContact CB-CE2 3.95Å; R336-Y349 WeakPolarHBondContact CD-OH 3.22Å; R336-Y349 HydrophobicContact CG-CE2 4.5Å; R336-Y349 PolarHBondContact N-O 3.44Å; R336-Y349 PolarHBondContact O-N 3.02Å; F337-Y349 VanDerWaalsContact O-CE1 3.31Å; F337-Y349 WeakPolarHBondContact O-CE1 3.47Å; Y349-Y358 CarbonylContact C-O 3.56Å; Y349-Y358 WeakPolarHBondContact CA-O 3.22Å; Y349-Y358 VanDerWaalsContact CB-O 3.3Å; Y349-Y358 WeakPolarHBondContact CB-O 3.33Å; Y349-I381 HydrophobicContact CD2-CB 3.79Å; Y349-I381 HydrophobicContact CD2-CG2 3.62Å; Y349-I381 HydrophobicContact CE2-CB 3.64Å; Y349-I381 HydrophobicContact CE2-CG2 3.53Å; Y349-I381 VanDerWaalsContact CE2-O 3.28Å; Y349-I381 WeakPolarHBondContact CE2-O 3.05Å; Y349-I381 PolarHBondContact OH-O 3.16Å; Y349-W383 AromaticContact CD1-CE3 3.81Å; Y349-W383 HydrophobicContact CD1-CE3 3.81Å; Y349-W383 HydrophobicContact CD1-CZ3 4.38Å; Y349-W383 HydrophobicContact CE1-CB 3.97Å; Y349-W383 AromaticContact CE1-CE3 3.93Å; Y349-W383 HydrophobicContact CE1-CE3 3.93Å; Y349-W383 PolarHBondContact OH-N 3.07Å
350	S	97.7	Very high	92.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	148.9	-178.1	180	0	0	0	0	110.4	R334 W357 Y358	R334-S350 WeakPolarHBondContact O-CA 3.41Å; R334-S350 PolarHBondContact O-OG 3.18Å; R334-S350 VanDerWaalsContact O-OG 3.11Å; S350-W357 WeakPolarHBondContact O-CA 3.39Å; S350-W357 WeakPolarHBondContact O-CB 3.24Å; S350-Y358 PolarHBondContact N-O 3.4Å; S350-Y358 PolarHBondContact O-N 3.35Å
351	G	95.3	Very high	92.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	174.9	160.8	0	0	0	0	0	111.9	I333 I378	I333-G351 WeakPolarHBondContact CG2-O 3.47Å; G351-I378 WeakPolarHBondContact CA-O 3.31Å
352	S	94.4	Very high	93	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	10%	0.095	C	C	.	.			trans	-145.9	157.6	173.6	-176.6	0	0	0	0	108.9	K327 N356 I378	K327-S352 PolarHBondContact N-OG 3.28Å; K327-S352 CarbonylContact O-C 3.52Å; K327-S352 WeakPolarHBondContact O-CA 3.35Å; K327-S352 PolarHBondContact O-OG 3.08Å; S352-N356 WeakPolarHBondContact CA-O 3.45Å; S352-N356 WeakPolarHBondContact CB-O 3.46Å; S352-N356 PolarHBondContact N-O 2.94Å; S352-I378 PolarHBondContact O-N 3.17Å
353	A	89	Confident	93.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-58	147.5	158.5	0	0	0	0	0	109.7	K327 R329	K327-A353 HydrophobicContact CB-CB 4.03Å; K327-A353 PolarHBondContact O-N 2.89Å; R329-A353 HydrophobicContact CB-CB 3.83Å; R329-A353 HydrophobicContact CG-CB 4.46Å
354	Y	86.4	Confident	93.5	Very high	84 Å²	84	31.6 Å²	31.6	33%	0.329	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	66.6	36.8	178.4	-40.3	-70.2	0	0	0	115.1	K327 R329 N356 G374	K327-Y354 HydrophobicContact CD-CD2 4.01Å; K327-Y354 HydrophobicContact CD-CE2 3.94Å; R329-Y354 VanDerWaalsContact CZ-OH 3.22Å; R329-Y354 PolarHBondContact NH1-OH 3.48Å; Y354-N356 PolarHBondContact O-N 2.79Å; Y354-N356 PolarHBondContact O-ND2 3.23Å; Y354-G374 CarbonylContact C-O 3.51Å; Y354-G374 VanDerWaalsContact O-O 3.11Å
355	G	86.4	Confident	93.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	68.7	5.9	166.9	0	0	0	0	0	116.2	S372 C373 G374 H376 I378	G355-S372 CarbonylContact O-C 3.58Å; G355-S372 VanDerWaalsContact O-CA 3.3Å; G355-S372 WeakPolarHBondContact O-CA 3.34Å; G355-C373 PolarHBondContact O-N 2.98Å; G355-G374 WeakPolarHBondContact CA-O 3.01Å; G355-H376 WeakPolarHBondContact CA-O 3.13Å; G355-H376 PolarHBondContact N-O 2.96Å; G355-I378 WeakPolarHBondContact O-CD1 3.49Å
356	N	92.2	Very high	93.6	Very high	43 Å²	43	36 Å²	36	23%	0.23	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	153.9	171.1	-63.4	-65.4	0	0	0	110.5	S352 Y354 Y358 Y371 S372	S352-N356 WeakPolarHBondContact CA-O 3.45Å; S352-N356 WeakPolarHBondContact CB-O 3.46Å; S352-N356 PolarHBondContact N-O 2.94Å; Y354-N356 PolarHBondContact O-N 2.79Å; Y354-N356 PolarHBondContact O-ND2 3.23Å; N356-Y358 HydrophobicContact CB-CE2 3.82Å; N356-Y371 CarbonylContact C-O 3.57Å; N356-Y371 VanDerWaalsContact CA-O 3.26Å; N356-Y371 WeakPolarHBondContact CA-O 3.42Å; N356-S372 WeakPolarHBondContact OD1-CB 3.45Å
357	W	94.6	Very high	93.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.1	165.8	60.8	-82.4	0	0	0	110.3	S350 I359 H370 Y371 I378 I381 I390 T392 W402	S350-W357 WeakPolarHBondContact O-CA 3.39Å; S350-W357 WeakPolarHBondContact O-CB 3.24Å; W357-I359 HydrophobicContact CE3-CG1 4.11Å; W357-I359 HydrophobicContact CH2-CD1 4.09Å; W357-I359 HydrophobicContact CZ3-CD1 3.55Å; W357-I359 HydrophobicContact CZ3-CG1 3.61Å; W357-H370 WeakPolarHBondContact O-CA 3.49Å; W357-Y371 HydrophobicContact CD2-CD2 4.44Å; W357-Y371 AromaticContact CE2-CD2 3.77Å; W357-Y371 AromaticContact CH2-CD2 3.59Å; W357-Y371 HydrophobicContact CH2-CD2 3.59Å; W357-Y371 AromaticContact CH2-CE2 3.99Å; W357-Y371 HydrophobicContact CH2-CE2 3.99Å; W357-Y371 AromaticContact CZ2-CD2 3.27Å; W357-Y371 HydrophobicContact CZ2-CD2 3.27Å; W357-Y371 HydrophobicContact CZ2-CE2 4.06Å; W357-Y371 AromaticContact CZ2-CG 3.92Å; W357-Y371 HydrophobicContact CZ2-CG 3.92Å; W357-Y371 HydrophobicContact CZ3-CD2 4.32Å; W357-Y371 PolarHBondContact N-O 3.24Å; W357-Y371 PolarHBondContact O-N 3.07Å; W357-Y371 VanDerWaalsContact O-N 3.14Å; W357-I378 HydrophobicContact CB-CD1 3.99Å; W357-I378 HydrophobicContact CG-CD1 4.18Å; W357-I381 HydrophobicContact CB-CD1 3.36Å; W357-I381 HydrophobicContact CD2-CD1 4.21Å; W357-I381 HydrophobicContact CE3-CD1 4.13Å; W357-I381 HydrophobicContact CG-CD1 3.94Å; W357-I390 HydrophobicContact CH2-CD1 3.93Å; W357-I390 HydrophobicContact CH2-CG2 4.49Å; W357-I390 HydrophobicContact CZ3-CD1 3.83Å; W357-I390 HydrophobicContact CZ3-CG2 4.45Å; W357-T392 HydrophobicContact CG-CG2 4.45Å; W357-W402 AromaticContact CZ2-CD2 3.77Å; W357-W402 HydrophobicContact CZ2-CD2 3.77Å; W357-W402 AromaticContact CZ2-CE3 3.87Å; W357-W402 HydrophobicContact CZ2-CE3 3.87Å; W357-W402 HydrophobicContact CZ2-CG 4.13Å; W357-W402 HydrophobicContact CZ2-CZ3 4.29Å; W357-W402 AromaticContact NE1-CE2 3.62Å; W357-W402 AromaticContact NE1-CH2 3.79Å; W357-W402 AromaticContact NE1-CZ2 3.41Å
358	Y	95.8	Very high	93.3	Very high	35 Å²	35	36.4 Å²	36.4	14%	0.137	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.1	-164.7	-71.7	-99.1	0	0	0	110.9	G325 H326 Y349 S350 N356 W360 V367 H370	G325-Y358 PolarHBondContact O-OH 3.46Å; H326-Y358 HydrophobicContact CB-CD2 3.53Å; H326-Y358 HydrophobicContact CB-CE2 3.86Å; H326-Y358 HydrophobicContact CB-CG 4.2Å; Y349-Y358 CarbonylContact C-O 3.56Å; Y349-Y358 WeakPolarHBondContact CA-O 3.22Å; Y349-Y358 VanDerWaalsContact CB-O 3.3Å; Y349-Y358 WeakPolarHBondContact CB-O 3.33Å; S350-Y358 PolarHBondContact N-O 3.4Å; S350-Y358 PolarHBondContact O-N 3.35Å; N356-Y358 HydrophobicContact CB-CE2 3.82Å; Y358-W360 VanDerWaalsContact CB-CH2 3.42Å; Y358-W360 VanDerWaalsContact CB-CZ2 3.45Å; Y358-W360 HydrophobicContact CD1-CZ2 4.31Å; Y358-W360 HydrophobicContact CG-CH2 4.22Å; Y358-W360 AromaticContact CG-CZ2 3.94Å; Y358-W360 HydrophobicContact CG-CZ2 3.94Å; Y358-V367 HydrophobicContact CD1-CG1 3.94Å; Y358-V367 HydrophobicContact CD1-CG2 4.02Å; Y358-H370 HydrophobicContact CD1-CB 3.78Å; Y358-H370 HydrophobicContact CE1-CB 3.76Å; Y358-H370 HydrophobicContact CG-CB 4.3Å
359	I	96.9	Very high	92.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.1	168	-55	174.5	0	0	0	107.9	I46 F347 A348 W357 V368 K369 I390	I46-I359 HydrophobicContact CG2-CD1 3.23Å; F347-I359 HydrophobicContact CB-CG2 3.71Å; F347-I359 HydrophobicContact CD1-CG2 4.18Å; F347-I359 HydrophobicContact CG-CG2 3.98Å; A348-I359 CarbonylContact O-C 3.58Å; A348-I359 WeakPolarHBondContact O-CA 3.43Å; W357-I359 HydrophobicContact CE3-CG1 4.11Å; W357-I359 HydrophobicContact CH2-CD1 4.09Å; W357-I359 HydrophobicContact CZ3-CD1 3.55Å; W357-I359 HydrophobicContact CZ3-CG1 3.61Å; I359-V368 PolarHBondContact O-N 3.13Å; I359-K369 HydrophobicContact CD1-CB 4.43Å; I359-K369 PolarHBondContact N-O 2.91Å; I359-K369 PolarHBondContact O-N 2.93Å; I359-I390 HydrophobicContact CD1-CD1 4.37Å
360	W	96.6	Very high	92.5	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.6	176.1	-58.9	-93.7	0	0	0	111.3	L323 S324 H326 F347 A348 Y358 K366	L323-W360 HydrophobicContact CB-CD2 4.08Å; L323-W360 HydrophobicContact CB-CG 4.01Å; L323-W360 HydrophobicContact CD1-CB 3.9Å; L323-W360 HydrophobicContact CD1-CD2 4.17Å; L323-W360 HydrophobicContact CD1-CE3 4.27Å; L323-W360 HydrophobicContact CD1-CG 4.03Å; L323-W360 HydrophobicContact CD2-CB 3.8Å; L323-W360 HydrophobicContact CD2-CG 3.99Å; L323-W360 HydrophobicContact CG-CB 4.32Å; L323-W360 HydrophobicContact CG-CG 4.24Å; S324-W360 PolarHBondContact O-NE1 3.47Å; H326-W360 HydrophobicContact CB-CH2 4.07Å; H326-W360 HydrophobicContact CB-CZ2 4.21Å; H326-W360 AromaticContact CG-CH2 3.81Å; H326-W360 AromaticContact ND1-CH2 3.54Å; H326-W360 AromaticContact ND1-CZ2 3.5Å; H326-W360 WeakPolarHBondContact ND1-CZ2 3.41Å; F347-W360 CarbonylContact C-O 3.39Å; F347-W360 WeakPolarHBondContact CA-O 3.36Å; F347-W360 WeakPolarHBondContact CB-O 3.48Å; A348-W360 PolarHBondContact N-O 2.96Å; A348-W360 PolarHBondContact O-N 2.9Å; Y358-W360 VanDerWaalsContact CB-CH2 3.42Å; Y358-W360 VanDerWaalsContact CB-CZ2 3.45Å; Y358-W360 HydrophobicContact CD1-CZ2 4.31Å; Y358-W360 HydrophobicContact CG-CH2 4.22Å; Y358-W360 AromaticContact CG-CZ2 3.94Å; Y358-W360 HydrophobicContact CG-CZ2 3.94Å; W360-K366 WeakPolarHBondContact CA-O 3.22Å
361	D	95	Very high	92.1	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.048	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.4	169	174.7	37.1	0	0	0	109.2	R346 F347 Y363 S364 G365 K366 V368	R346-D361 WeakPolarHBondContact CG-OD1 3.2Å; R346-D361 IonicContact CZ-OD1 3.58Å; R346-D361 IonicContact NE-OD1 3Å; R346-D361 PolarHBondContact NE-OD1 3.4Å; R346-D361 IonicContact NH2-OD1 3.26Å; R346-D361 PolarHBondContact NH2-OD1 3.02Å; R346-D361 IonicContact NH2-OD2 3.85Å; R346-D361 PolarHBondContact NH2-OD2 3Å; F347-D361 HydrophobicContact CD1-CB 4.26Å; F347-D361 HydrophobicContact CE1-CB 4.33Å; D361-Y363 PolarHBondContact O-N 2.66Å; D361-S364 WeakPolarHBondContact CB-OG 3.22Å; D361-S364 PolarHBondContact O-N 3.49Å; D361-S364 WeakPolarHBondContact OD2-CB 3.36Å; D361-S364 PolarHBondContact OD2-N 2.81Å; D361-S364 PolarHBondContact OD2-OG 3.07Å; D361-G365 WeakPolarHBondContact O-CA 3.17Å; D361-G365 PolarHBondContact O-N 3.19Å; D361-K366 PolarHBondContact N-O 3.2Å; D361-V368 HydrophobicContact CB-CG2 3.45Å; D361-V368 VanDerWaalsContact CB-CG2 3.45Å
362	L	94.9	Very high	91.7	Very high	27 Å²	27	50.4 Å²	50.4	14%	0.141	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.5	-175.7	-67.9	173	0	0	0	113	L260 L321 L323 F337 R346 A348	L260-L362 HydrophobicContact CD2-CD2 4.36Å; L321-L362 HydrophobicContact CD2-CD2 4.36Å; L321-L362 VanDerWaalsContact CD2-O 3.26Å; L321-L362 WeakPolarHBondContact CD2-O 3.21Å; L323-L362 HydrophobicContact CD1-CD2 3.94Å; F337-L362 HydrophobicContact CD1-CD1 3.6Å; F337-L362 HydrophobicContact CE1-CD1 3.52Å; R346-L362 VanDerWaalsContact O-CB 3.26Å; R346-L362 WeakPolarHBondContact O-CB 3.48Å; R346-L362 WeakPolarHBondContact O-CG 3.45Å; R346-L362 PolarHBondContact O-N 2.95Å; A348-L362 HydrophobicContact CB-CD2 3.81Å; A348-L362 HydrophobicContact CB-CG 4.26Å
363	Y	91.7	Very high	90.8	Very high	214 Å²	214	53.1 Å²	53.1	84%	0.839	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-45.2	174.2	178.8	-101.8	0	0	0	112.3	D361	D361-Y363 PolarHBondContact O-N 2.66Å
364	S	90.9	Very high	89.9	Confident	55 Å²	55	54.7 Å²	54.7	39%	0.385	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-16.1	-174.3	62.2	0	0	0	0	114.3	D361 K366	D361-S364 WeakPolarHBondContact CB-OG 3.22Å; D361-S364 PolarHBondContact O-N 3.49Å; D361-S364 WeakPolarHBondContact OD2-CB 3.36Å; D361-S364 PolarHBondContact OD2-N 2.81Å; D361-S364 PolarHBondContact OD2-OG 3.07Å; S364-K366 PolarHBondContact O-N 3.06Å
365	G	90.3	Very high	89.2	Confident	20 Å²	20	52.4 Å²	52.4	21%	0.206	28%	0.284	C	S	.	.			trans	71.7	4.6	-174.5	0	0	0	0	0	115.1	D361	D361-G365 WeakPolarHBondContact O-CA 3.17Å; D361-G365 PolarHBondContact O-N 3.19Å
366	K	91.5	Very high	89.1	Confident	152 Å²	152	55.6 Å²	55.6	66%	0.661	30%	0.299	S	S	*	.	S	Bend	trans	-96.4	149.8	-174.5	-65.2	-178.4	-178.3	179.7	0	111.2	W360 D361 S364 V368	W360-K366 WeakPolarHBondContact CA-O 3.22Å; D361-K366 PolarHBondContact N-O 3.2Å; S364-K366 PolarHBondContact O-N 3.06Å; K366-V368 PolarHBondContact O-N 2.95Å
367	V	93.3	Very high	89	Confident	57 Å²	57	53.7 Å²	53.7	35%	0.345	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	118.9	168.3	179.2	0	0	0	0	108.4	Y358 K369 H370	Y358-V367 HydrophobicContact CD1-CG1 3.94Å; Y358-V367 HydrophobicContact CD1-CG2 4.02Å; V367-K369 WeakPolarHBondContact CG1-O 3.41Å; V367-H370 HydrophobicContact CG1-CB 4.33Å
368	V	90.7	Very high	89	Confident	58 Å²	58	53.9 Å²	53.9	35%	0.352	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-45.1	175.3	-175.6	0	0	0	0	109.7	I46 F347 I359 D361 K366	I46-V368 HydrophobicContact CD1-CG1 3.86Å; F347-V368 HydrophobicContact CD1-CG2 4.16Å; F347-V368 HydrophobicContact CE1-CG2 4.05Å; I359-V368 PolarHBondContact O-N 3.13Å; D361-V368 HydrophobicContact CB-CG2 3.45Å; D361-V368 VanDerWaalsContact CB-CG2 3.45Å; K366-V368 PolarHBondContact O-N 2.95Å
369	K	89.9	Confident	89	Confident	82 Å²	82	52.6 Å²	52.6	36%	0.357	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	148.8	179.3	-64.9	-61.7	179.6	177.4	0	110.3	I46 I359 V367 Y371	I46-K369 HydrophobicContact CG2-CG 4.27Å; I359-K369 HydrophobicContact CD1-CB 4.43Å; I359-K369 PolarHBondContact N-O 2.91Å; I359-K369 PolarHBondContact O-N 2.93Å; V367-K369 WeakPolarHBondContact CG1-O 3.41Å; K369-Y371 HydrophobicContact CB-CD2 4.32Å; K369-Y371 HydrophobicContact CB-CE2 3.54Å; K369-Y371 HydrophobicContact CD-CE2 4.46Å; K369-Y371 VanDerWaalsContact CD-OH 3.31Å; K369-Y371 WeakPolarHBondContact CD-OH 3.21Å; K369-Y371 HydrophobicContact CG-CE2 4.04Å; K369-Y371 WeakPolarHBondContact CG-OH 3.25Å
370	H	89.8	Confident	88.9	Confident	113 Å²	113	52.7 Å²	52.7	52%	0.523	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.6	161.4	70.1	-84.5	0	0	0	107.6	W357 Y358 V367	W357-H370 WeakPolarHBondContact O-CA 3.49Å; Y358-H370 HydrophobicContact CD1-CB 3.78Å; Y358-H370 HydrophobicContact CE1-CB 3.76Å; Y358-H370 HydrophobicContact CG-CB 4.3Å; V367-H370 HydrophobicContact CG1-CB 4.33Å
371	Y	88.7	Confident	88.9	Confident	39 Å²	39	52.7 Å²	52.7	15%	0.153	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	163	177.4	-57.1	-82.7	0	0	0	108.7	P47 N48 N356 W357 K369 W402	P47-Y371 VanDerWaalsContact O-CE2 3.25Å; P47-Y371 WeakPolarHBondContact O-CE2 3.44Å; N48-Y371 HydrophobicContact CB-CE1 3.73Å; N48-Y371 HydrophobicContact CB-CE2 4.48Å; N48-Y371 WeakPolarHBondContact CB-OH 3.47Å; N356-Y371 CarbonylContact C-O 3.57Å; N356-Y371 VanDerWaalsContact CA-O 3.26Å; N356-Y371 WeakPolarHBondContact CA-O 3.42Å; W357-Y371 HydrophobicContact CD2-CD2 4.44Å; W357-Y371 AromaticContact CE2-CD2 3.77Å; W357-Y371 AromaticContact CH2-CD2 3.59Å; W357-Y371 HydrophobicContact CH2-CD2 3.59Å; W357-Y371 AromaticContact CH2-CE2 3.99Å; W357-Y371 HydrophobicContact CH2-CE2 3.99Å; W357-Y371 AromaticContact CZ2-CD2 3.27Å; W357-Y371 HydrophobicContact CZ2-CD2 3.27Å; W357-Y371 HydrophobicContact CZ2-CE2 4.06Å; W357-Y371 AromaticContact CZ2-CG 3.92Å; W357-Y371 HydrophobicContact CZ2-CG 3.92Å; W357-Y371 HydrophobicContact CZ3-CD2 4.32Å; W357-Y371 PolarHBondContact N-O 3.24Å; W357-Y371 PolarHBondContact O-N 3.07Å; W357-Y371 VanDerWaalsContact O-N 3.14Å; K369-Y371 HydrophobicContact CB-CD2 4.32Å; K369-Y371 HydrophobicContact CB-CE2 3.54Å; K369-Y371 HydrophobicContact CD-CE2 4.46Å; K369-Y371 VanDerWaalsContact CD-OH 3.31Å; K369-Y371 WeakPolarHBondContact CD-OH 3.21Å; K369-Y371 HydrophobicContact CG-CE2 4.04Å; K369-Y371 WeakPolarHBondContact CG-OH 3.25Å; Y371-W402 HydrophobicContact CD1-CZ3 4.38Å; Y371-W402 HydrophobicContact CG-CZ3 4.17Å
372	S	85.6	Confident	89.1	Confident	68 Å²	68	53 Å²	53	48%	0.476	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.1	175.7	-177.3	0	0	0	0	110	G355 N356 G374	G355-S372 CarbonylContact O-C 3.58Å; G355-S372 VanDerWaalsContact O-CA 3.3Å; G355-S372 WeakPolarHBondContact O-CA 3.34Å; N356-S372 WeakPolarHBondContact OD1-CB 3.45Å; S372-G374 PolarHBondContact OG-N 3.27Å; S372-G374 PolarHBondContact OG-O 3.11Å
373	C	75.4	Confident	89.1	Confident	59 Å²	59	52.1 Å²	52.1	40%	0.399	28%	0.281	S	S	.	.			trans	-105.7	-4	174.2	72.2	0	0	0	0	113.5	G355 W402	G355-C373 PolarHBondContact O-N 2.98Å; C373-W402 HydrophobicContact CB-CZ2 3.94Å
374	G	70.7	Confident	89.3	Confident	32 Å²	32	42.3 Å²	42.3	33%	0.33	24%	0.243	S	C	.	.	S	Bend	trans	147.4	-167	-172.3	0	0	0	0	0	112.8	Y354 G355 S372	Y354-G374 CarbonylContact C-O 3.51Å; Y354-G374 VanDerWaalsContact O-O 3.11Å; G355-G374 WeakPolarHBondContact CA-O 3.01Å; S372-G374 PolarHBondContact OG-N 3.27Å; S372-G374 PolarHBondContact OG-O 3.11Å
375	G	72.9	Confident	89.4	Confident	36 Å²	36	41 Å²	41	37%	0.371	23%	0.233	S	C	.	.	S	Bend	trans	-88.3	8.3	-177.4	0	0	0	0	0	115.6
376	H	82.6	Confident	89.4	Confident	68 Å²	68	45.4 Å²	45.4	32%	0.315	25%	0.245	S	C	.	.	S	Bend	trans	-112.6	152	-162.6	-50.9	-68	0	0	0	113.6	G355 I378 T396	G355-H376 WeakPolarHBondContact CA-O 3.13Å; G355-H376 PolarHBondContact N-O 2.96Å; H376-I378 PolarHBondContact O-N 3.1Å; H376-T396 HydrophobicContact CB-CG2 3.57Å; H376-T396 WeakPolarHBondContact CD2-CG2 3.23Å; H376-T396 WeakPolarHBondContact ND1-CG2 3.33Å
377	T	91.2	Very high	89.3	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.018	23%	0.232	C	C	.	.			trans	-73.9	124.2	-170.4	-61.9	0	0	0	0	111.8	N330 T331 I333 G394 T395	N330-T377 PolarHBondContact ND2-OG1 2.98Å; T331-T377 HydrophobicContact CG2-CG2 3.81Å; I333-T377 HydrophobicContact CD1-CG2 4Å; I333-T377 HydrophobicContact CG1-CG2 4.41Å; T377-G394 CarbonylContact O-C 3.54Å; T377-G394 WeakPolarHBondContact O-CA 3.35Å; T377-T395 PolarHBondContact N-OG1 3.43Å; T377-T395 PolarHBondContact O-N 2.98Å
378	I	94	Very high	89	Confident	4 Å²	4	40.9 Å²	40.9	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	111.5	171.1	-59.7	174.5	0	0	0	107.9	G351 S352 G355 W357 H376 I381	G351-I378 WeakPolarHBondContact CA-O 3.31Å; S352-I378 PolarHBondContact O-N 3.17Å; G355-I378 WeakPolarHBondContact O-CD1 3.49Å; W357-I378 HydrophobicContact CB-CD1 3.99Å; W357-I378 HydrophobicContact CG-CD1 4.18Å; H376-I378 PolarHBondContact O-N 3.1Å; I378-I381 HydrophobicContact CG2-CD1 3.92Å; I378-I381 HydrophobicContact CG2-CG1 3.59Å
379	R	95.3	Very high	89.1	Confident	8 Å²	8	39.6 Å²	39.6	3%	0.03	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-48.8	-175.8	167.6	61.1	175	132.8	-5.3	111.7	Y61 T331 L332 R334 C393	Y61-R379 HydrophobicContact CD1-CG 4.04Å; Y61-R379 WeakPolarHBondContact O-CG 3.38Å; T331-R379 HydrophobicContact CG2-CB 4.12Å; T331-R379 HydrophobicContact CG2-CG 4.34Å; L332-R379 WeakPolarHBondContact O-CD 3.46Å; L332-R379 PolarHBondContact O-NE 3.04Å; L332-R379 PolarHBondContact O-NH1 2.83Å; R334-R379 PolarHBondContact N-O 2.88Å; R379-C393 PolarHBondContact N-O 3.05Å
380	D	96.5	Very high	89.4	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.8	-178	-156.9	-0.4	0	0	0	110.3	R334 R336 C393	R334-D380 VanDerWaalsContact CD-OD2 3.25Å; R334-D380 WeakPolarHBondContact CD-OD2 3.43Å; R334-D380 HydrophobicContact CG-CB 4.5Å; R334-D380 IonicContact CZ-OD2 2.79Å; R334-D380 IonicContact NE-OD2 3.43Å; R334-D380 IonicContact NH1-OD2 3.72Å; R334-D380 PolarHBondContact NH1-OD2 3.34Å; R336-D380 IonicContact CZ-OD1 3.03Å; R336-D380 IonicContact CZ-OD2 3.54Å; R336-D380 IonicContact NE-OD1 3.83Å; R336-D380 PolarHBondContact NE-OD1 3.15Å; R336-D380 IonicContact NH2-OD1 3.08Å; R336-D380 PolarHBondContact NH2-OD1 3.39Å; R336-D380 IonicContact NH2-OD2 3.83Å; R336-D380 PolarHBondContact NH2-OD2 2.96Å; D380-C393 PolarHBondContact N-O 3.49Å; D380-C393 PolarHBondContact O-N 2.86Å
381	I	96.8	Very high	89.7	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	138.3	175.8	-57.4	-174.7	0	0	0	106.2	R336 Y349 W357 I378 I390 V391 T392	R336-I381 WeakPolarHBondContact CD-O 3.48Å; R336-I381 PolarHBondContact NE-O 3.4Å; Y349-I381 HydrophobicContact CD2-CB 3.79Å; Y349-I381 HydrophobicContact CD2-CG2 3.62Å; Y349-I381 HydrophobicContact CE2-CB 3.64Å; Y349-I381 HydrophobicContact CE2-CG2 3.53Å; Y349-I381 VanDerWaalsContact CE2-O 3.28Å; Y349-I381 WeakPolarHBondContact CE2-O 3.05Å; Y349-I381 PolarHBondContact OH-O 3.16Å; W357-I381 HydrophobicContact CB-CD1 3.36Å; W357-I381 HydrophobicContact CD2-CD1 4.21Å; W357-I381 HydrophobicContact CE3-CD1 4.13Å; W357-I381 HydrophobicContact CG-CD1 3.94Å; I378-I381 HydrophobicContact CG2-CD1 3.92Å; I378-I381 HydrophobicContact CG2-CG1 3.59Å; I381-I390 HydrophobicContact CG2-CG2 3.32Å; I381-V391 CarbonylContact C-O 3.57Å; I381-V391 WeakPolarHBondContact CA-O 3.44Å; I381-T392 HydrophobicContact CD1-CG2 4.01Å; I381-T392 HydrophobicContact CG1-CG2 3.96Å; I381-T392 HydrophobicContact CG2-CG2 4.14Å
382	N	97.6	Very high	90	Very high	16 Å²	16	28.7 Å²	28.7	9%	0.086	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.4	174.3	-143.4	-113.5	0	0	0	110.5	G63 Y65 F72 V391	G63-N382 WeakPolarHBondContact O-CB 3.39Å; Y65-N382 HydrophobicContact CD2-CB 4.16Å; Y65-N382 WeakPolarHBondContact CD2-OD1 3.4Å; Y65-N382 PolarHBondContact N-OD1 3.22Å; F72-N382 HydrophobicContact CE2-CB 4.12Å; N382-V391 PolarHBondContact N-O 3.41Å; N382-V391 PolarHBondContact O-N 3.38Å
383	W	96.6	Very high	90.4	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.027	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.5	175.2	-156.9	-26.9	0	0	0	108.4	P47 S338 P339 T343 F347 Y349 Q388 I390	P47-W383 HydrophobicContact CG-CZ2 4.47Å; S338-W383 VanDerWaalsContact CB-CZ3 3.49Å; P339-W383 HydrophobicContact CG-CB 3.83Å; P339-W383 HydrophobicContact CG-CD2 4.14Å; P339-W383 HydrophobicContact CG-CG 3.71Å; T343-W383 HydrophobicContact CG2-CH2 3.74Å; T343-W383 HydrophobicContact CG2-CZ2 3.88Å; T343-W383 HydrophobicContact CG2-CZ3 4.25Å; F347-W383 HydrophobicContact CD2-CH2 4.2Å; F347-W383 HydrophobicContact CD2-CZ3 4.35Å; Y349-W383 AromaticContact CD1-CE3 3.81Å; Y349-W383 HydrophobicContact CD1-CE3 3.81Å; Y349-W383 HydrophobicContact CD1-CZ3 4.38Å; Y349-W383 HydrophobicContact CE1-CB 3.97Å; Y349-W383 AromaticContact CE1-CE3 3.93Å; Y349-W383 HydrophobicContact CE1-CE3 3.93Å; Y349-W383 PolarHBondContact OH-N 3.07Å; W383-Q388 VanDerWaalsContact CZ2-OE1 3.28Å; W383-I390 HydrophobicContact CB-CG1 3.96Å; W383-I390 HydrophobicContact CD2-CD1 3.74Å; W383-I390 HydrophobicContact CD2-CG1 3.7Å; W383-I390 HydrophobicContact CE3-CD1 3.99Å; W383-I390 HydrophobicContact CE3-CG1 4.37Å; W383-I390 HydrophobicContact CG-CD1 4.11Å; W383-I390 HydrophobicContact CG-CG1 3.5Å; W383-I390 HydrophobicContact CH2-CD1 4.5Å; W383-I390 HydrophobicContact CZ2-CD1 4.27Å; W383-I390 HydrophobicContact CZ3-CD1 4.37Å
384	H	95.8	Very high	91	Very high	8 Å²	8	23 Å²	23	4%	0.037	13%	0.126	C	C	.	.			trans	-53.7	135.2	175.8	-170.1	-84.8	0	0	0	110.9	Y65 G69 P339 Y386 E387 Q389	Y65-H384 AromaticContact CD1-CD2 3.78Å; Y65-H384 HydrophobicContact CD2-CB 4.42Å; Y65-H384 AromaticContact CE1-CD2 3.54Å; Y65-H384 HydrophobicContact CE2-CB 4.04Å; Y65-H384 AromaticContact CZ-CD2 3.83Å; G69-H384 VanDerWaalsContact CA-NE2 3.25Å; G69-H384 WeakPolarHBondContact CA-NE2 3.35Å; G69-H384 PolarHBondContact O-NE2 3.28Å; P339-H384 WeakPolarHBondContact CG-O 3.47Å; H384-Y386 VanDerWaalsContact C-N 3.27Å; H384-Y386 PolarHBondContact ND1-N 3.43Å; H384-Y386 VanDerWaalsContact ND1-N 3.16Å; H384-Y386 PolarHBondContact O-N 2.79Å; H384-E387 HydrophobicContact CB-CB 4.1Å; H384-E387 VanDerWaalsContact ND1-CB 3.34Å; H384-E387 WeakPolarHBondContact ND1-CB 3.39Å; H384-E387 WeakPolarHBondContact ND1-CG 3.39Å; H384-E387 PolarHBondContact ND1-N 2.89Å; H384-Q389 HydrophobicContact CB-CB 4.19Å; H384-Q389 PolarHBondContact N-O 3.29Å
385	P	92.4	Very high	91.8	Very high	27 Å²	27	23 Å²	23	18%	0.175	12%	0.12	C	C	.	.	S	Bend	trans	-61	-32.8	-173.2	20.1	-32.3	0	0	0	113.9	P339	P339-P385 WeakPolarHBondContact CB-O 3.45Å
386	Y	90.2	Very high	92.1	Very high	114 Å²	114	23.4 Å²	23.4	45%	0.447	12%	0.115	S	C	.	.	S	Bend	trans	-118.4	-16.9	-174.5	-53.2	-68.9	0	0	0	114.7	S67 S68 F341 H384	S67-Y386 WeakPolarHBondContact O-CE2 3.3Å; S67-Y386 PolarHBondContact O-OH 3.03Å; S67-Y386 VanDerWaalsContact O-OH 3.08Å; S68-Y386 VanDerWaalsContact O-CD2 3.28Å; S68-Y386 WeakPolarHBondContact O-CD2 3.32Å; S68-Y386 VanDerWaalsContact O-CE2 3.22Å; S68-Y386 WeakPolarHBondContact O-CE2 3.33Å; F341-Y386 HydrophobicContact CB-CD1 4.04Å; F341-Y386 HydrophobicContact CB-CE1 4.42Å; F341-Y386 AromaticContact CD1-CD1 3.86Å; F341-Y386 HydrophobicContact CD1-CD1 3.86Å; F341-Y386 HydrophobicContact CD2-CD1 4.02Å; F341-Y386 HydrophobicContact CD2-CE1 4.34Å; F341-Y386 HydrophobicContact CE1-CD1 4.3Å; F341-Y386 HydrophobicContact CE2-CD1 4.44Å; F341-Y386 AromaticContact CG-CD1 3.71Å; F341-Y386 HydrophobicContact CG-CD1 3.71Å; F341-Y386 HydrophobicContact CG-CE1 4.32Å; H384-Y386 VanDerWaalsContact C-N 3.27Å; H384-Y386 PolarHBondContact ND1-N 3.43Å; H384-Y386 VanDerWaalsContact ND1-N 3.16Å; H384-Y386 PolarHBondContact O-N 2.79Å
387	E	88.7	Confident	92.1	Very high	86 Å²	86	20.2 Å²	20.2	40%	0.402	10%	0.1	S	C	.	.	S	Bend	trans	-115.7	159.9	-169.2	-64.3	-167.1	178.7	0	0	110.5	N342 H384 Q389	N342-E387 PolarHBondContact ND2-O 3.13Å; H384-E387 HydrophobicContact CB-CB 4.1Å; H384-E387 VanDerWaalsContact ND1-CB 3.34Å; H384-E387 WeakPolarHBondContact ND1-CB 3.39Å; H384-E387 WeakPolarHBondContact ND1-CG 3.39Å; H384-E387 PolarHBondContact ND1-N 2.89Å; E387-Q389 HydrophobicContact CB-CG 4.1Å; E387-Q389 PolarHBondContact O-N 2.91Å; E387-Q389 PolarHBondContact OE2-NE2 3.25Å
388	Q	88.6	Confident	91.9	Very high	28 Å²	28	21.6 Å²	21.6	13%	0.131	11%	0.108	C	C	.	.	S	Bend	trans	-85.8	55.6	176.6	-86	-71	3.5	0	0	111	L42 T45 P47 W383	L42-Q388 PolarHBondContact O-NE2 3.34Å; T45-Q388 WeakPolarHBondContact O-CG 3.43Å; T45-Q388 PolarHBondContact O-NE2 3.05Å; T45-Q388 PolarHBondContact O-OE1 3.36Å; P47-Q388 WeakPolarHBondContact CG-O 3.32Å; W383-Q388 VanDerWaalsContact CZ2-OE1 3.28Å
389	Q	91.9	Very high	91.8	Very high	31 Å²	31	21.4 Å²	21.4	15%	0.145	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.2	178.3	-51.1	-165	18.9	0	0	110.6	H384 E387 W402 V403	H384-Q389 HydrophobicContact CB-CB 4.19Å; H384-Q389 PolarHBondContact N-O 3.29Å; E387-Q389 HydrophobicContact CB-CG 4.1Å; E387-Q389 PolarHBondContact O-N 2.91Å; E387-Q389 PolarHBondContact OE2-NE2 3.25Å; Q389-W402 CarbonylContact C-O 3.57Å; Q389-W402 VanDerWaalsContact CA-O 3.27Å; Q389-W402 WeakPolarHBondContact CA-O 3.18Å; Q389-V403 HydrophobicContact CG-CG1 4.15Å
390	I	95.3	Very high	91.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.1	175	-74.4	168.5	0	0	0	108.4	P47 W357 I359 I381 W383 T392 C401 W402	P47-I390 HydrophobicContact CB-CD1 4.23Å; P47-I390 HydrophobicContact CB-CG1 4.49Å; P47-I390 HydrophobicContact CG-CB 4.39Å; P47-I390 HydrophobicContact CG-CD1 3.77Å; P47-I390 HydrophobicContact CG-CG1 3.92Å; W357-I390 HydrophobicContact CH2-CD1 3.93Å; W357-I390 HydrophobicContact CH2-CG2 4.49Å; W357-I390 HydrophobicContact CZ3-CD1 3.83Å; W357-I390 HydrophobicContact CZ3-CG2 4.45Å; I359-I390 HydrophobicContact CD1-CD1 4.37Å; I381-I390 HydrophobicContact CG2-CG2 3.32Å; W383-I390 HydrophobicContact CB-CG1 3.96Å; W383-I390 HydrophobicContact CD2-CD1 3.74Å; W383-I390 HydrophobicContact CD2-CG1 3.7Å; W383-I390 HydrophobicContact CE3-CD1 3.99Å; W383-I390 HydrophobicContact CE3-CG1 4.37Å; W383-I390 HydrophobicContact CG-CD1 4.11Å; W383-I390 HydrophobicContact CG-CG1 3.5Å; W383-I390 HydrophobicContact CH2-CD1 4.5Å; W383-I390 HydrophobicContact CZ2-CD1 4.27Å; W383-I390 HydrophobicContact CZ3-CD1 4.37Å; I390-T392 HydrophobicContact CG2-CG2 4.18Å; I390-C401 CarbonylContact O-C 3.51Å; I390-C401 WeakPolarHBondContact O-CA 3.27Å; I390-W402 HydrophobicContact CB-CB 4.28Å; I390-W402 PolarHBondContact N-O 2.85Å; I390-W402 WeakPolarHBondContact O-CB 3.39Å; I390-W402 PolarHBondContact O-N 3.01Å
391	V	96.1	Very high	91.5	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.5	171.4	-179	0	0	0	0	109.5	Y65 F72 F91 I381 N382 I399 S400 C401	Y65-V391 HydrophobicContact CE2-CB 4.5Å; Y65-V391 HydrophobicContact CE2-CG2 4.06Å; Y65-V391 WeakPolarHBondContact OH-CG2 3.15Å; F72-V391 HydrophobicContact CE1-CB 4.35Å; F72-V391 HydrophobicContact CE1-CG1 3.66Å; F72-V391 HydrophobicContact CE2-CB 3.95Å; F72-V391 HydrophobicContact CE2-CG1 4.16Å; F72-V391 HydrophobicContact CE2-CG2 4.33Å; F72-V391 HydrophobicContact CZ-CB 3.68Å; F72-V391 HydrophobicContact CZ-CG1 3.39Å; F72-V391 HydrophobicContact CZ-CG2 4.34Å; F91-V391 HydrophobicContact CE2-CG2 4.11Å; F91-V391 HydrophobicContact CZ-CG2 3.8Å; I381-V391 CarbonylContact C-O 3.57Å; I381-V391 WeakPolarHBondContact CA-O 3.44Å; N382-V391 PolarHBondContact N-O 3.41Å; N382-V391 PolarHBondContact O-N 3.38Å; V391-I399 HydrophobicContact CG1-CG2 3.44Å; V391-I399 VanDerWaalsContact CG1-CG2 3.44Å; V391-S400 WeakPolarHBondContact CA-O 3.32Å; V391-C401 HydrophobicContact CG2-CB 4.32Å
392	T	95.2	Very high	91.3	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.3	176.3	59.5	0	0	0	0	109.8	W357 I381 I390 I399 S400 W402	W357-T392 HydrophobicContact CG-CG2 4.45Å; I381-T392 HydrophobicContact CD1-CG2 4.01Å; I381-T392 HydrophobicContact CG1-CG2 3.96Å; I381-T392 HydrophobicContact CG2-CG2 4.14Å; I390-T392 HydrophobicContact CG2-CG2 4.18Å; T392-I399 WeakPolarHBondContact O-CA 3.37Å; T392-S400 PolarHBondContact N-O 3.25Å; T392-S400 PolarHBondContact O-N 2.54Å; T392-S400 PolarHBondContact OG1-O 2.9Å; T392-W402 PolarHBondContact OG1-NE1 2.9Å
393	C	93.7	Very high	91	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.02	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.7	173.6	60.2	0	0	0	0	112.7	V60 C62 R379 D380 D398 I399	V60-C393 HydrophobicContact CB-CB 3.98Å; V60-C393 HydrophobicContact CG1-CB 3.58Å; V60-C393 CarbonylContact O-C 3.57Å; C62-C393 VanDerWaalsContact C-SG 3.6Å; R379-C393 PolarHBondContact N-O 3.05Å; D380-C393 PolarHBondContact N-O 3.49Å; D380-C393 PolarHBondContact O-N 2.86Å; C393-D398 WeakPolarHBondContact CA-O 3.38Å; C393-I399 HydrophobicContact CB-CG1 4.45Å
394	G	90	Very high	90.6	Very high	6 Å²	6	25.2 Å²	25.2	6%	0.062	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	-164.7	-171.5	0	0	0	0	0	116.8	V60 T377 T396 G397	V60-G394 PolarHBondContact N-O 2.87Å; V60-G394 WeakPolarHBondContact O-CA 3.3Å; V60-G394 PolarHBondContact O-N 3.39Å; V60-G394 VanDerWaalsContact O-N 3.14Å; T377-G394 CarbonylContact O-C 3.54Å; T377-G394 WeakPolarHBondContact O-CA 3.35Å; G394-T396 PolarHBondContact O-N 2.92Å; G394-T396 VanDerWaalsContact O-N 3.08Å; G394-G397 PolarHBondContact O-N 2.86Å
395	T	86	Confident	90	Very high	31 Å²	31	27.2 Å²	27.2	19%	0.19	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	25.1	-170.9	66.5	0	0	0	0	114.9	D59 T377	D59-T395 VanDerWaalsContact CG-CA 3.45Å; D59-T395 VanDerWaalsContact OD1-CA 3.29Å; D59-T395 WeakPolarHBondContact OD1-CA 3.43Å; T377-T395 PolarHBondContact N-OG1 3.43Å; T377-T395 PolarHBondContact O-N 2.98Å
396	T	80	Confident	89.3	Confident	45 Å²	45	34.8 Å²	34.8	28%	0.276	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	11	166.3	46.1	0	0	0	0	112.3	H376 G394 D398	H376-T396 HydrophobicContact CB-CG2 3.57Å; H376-T396 WeakPolarHBondContact CD2-CG2 3.23Å; H376-T396 WeakPolarHBondContact ND1-CG2 3.33Å; G394-T396 PolarHBondContact O-N 2.92Å; G394-T396 VanDerWaalsContact O-N 3.08Å; T396-D398 PolarHBondContact O-N 3.14Å; T396-D398 VanDerWaalsContact O-N 3.12Å; T396-D398 PolarHBondContact OG1-OD2 2.87Å
397	G	82.5	Confident	88.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.			trans	68.9	3.2	-174.4	0	0	0	0	0	114.6	C56 N58 G394 I399	C56-G397 WeakPolarHBondContact CB-O 3.2Å; C56-G397 PolarHBondContact N-O 3.19Å; N58-G397 WeakPolarHBondContact O-CA 3.18Å; G394-G397 PolarHBondContact O-N 2.86Å; G397-I399 PolarHBondContact O-N 2.85Å
398	D	86.2	Confident	87.5	Confident	33 Å²	33	34.5 Å²	34.5	18%	0.176	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.4	178.5	-72.9	-46.5	0	0	0	111.7	C393 T396 R454	C393-D398 WeakPolarHBondContact CA-O 3.38Å; T396-D398 PolarHBondContact O-N 3.14Å; T396-D398 VanDerWaalsContact O-N 3.12Å; T396-D398 PolarHBondContact OG1-OD2 2.87Å; D398-R454 IonicContact OD1-CZ 3.4Å; D398-R454 IonicContact OD1-NE 3.17Å; D398-R454 IonicContact OD1-NH2 2.98Å; D398-R454 PolarHBondContact OD1-NH2 2.75Å; D398-R454 IonicContact OD2-NH2 3.2Å; D398-R454 PolarHBondContact OD2-NH2 3.17Å
399	I	92.1	Very high	86	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	103.2	170.4	-58.5	152.1	0	0	0	107.1	S53 L54 V60 F72 T74 V391 T392 C393 G397	S53-I399 CarbonylContact C-O 3.53Å; S53-I399 WeakPolarHBondContact CA-O 3.16Å; L54-I399 HydrophobicContact CB-CB 4.27Å; L54-I399 HydrophobicContact CD2-CD1 4.27Å; L54-I399 PolarHBondContact N-O 3.12Å; L54-I399 PolarHBondContact O-N 3.14Å; V60-I399 HydrophobicContact CG1-CG1 4.33Å; V60-I399 HydrophobicContact CG2-CD1 4.2Å; V60-I399 HydrophobicContact CG2-CG1 4.15Å; F72-I399 HydrophobicContact CE1-CG2 4.29Å; T74-I399 HydrophobicContact CG2-CD1 3.71Å; T74-I399 HydrophobicContact CG2-CG1 4.15Å; V391-I399 HydrophobicContact CG1-CG2 3.44Å; V391-I399 VanDerWaalsContact CG1-CG2 3.44Å; T392-I399 WeakPolarHBondContact O-CA 3.37Å; C393-I399 HydrophobicContact CB-CG1 4.45Å; G397-I399 PolarHBondContact O-N 2.85Å
400	S	92.3	Very high	83.8	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.028	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126	-177.8	-60	0	0	0	0	111.2	S53 V391 T392	S53-S400 PolarHBondContact OG-OG 2.77Å; V391-S400 WeakPolarHBondContact CA-O 3.32Å; T392-S400 PolarHBondContact N-O 3.25Å; T392-S400 PolarHBondContact O-N 2.54Å; T392-S400 PolarHBondContact OG1-O 2.9Å
401	C	93.4	Very high	81.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.6	171.6	-178.9	0	0	0	0	110.3	V50 L51 W52 I390 V391	V50-C401 CarbonylContact C-O 3.59Å; V50-C401 WeakPolarHBondContact CA-O 3.24Å; L51-C401 PolarHBondContact N-O 3.16Å; W52-C401 HydrophobicContact CD2-CB 3.7Å; W52-C401 HydrophobicContact CE3-CB 3.86Å; W52-C401 HydrophobicContact CG-CB 4.5Å; W52-C401 HydrophobicContact CH2-CB 3.49Å; W52-C401 VanDerWaalsContact CH2-CB 3.49Å; W52-C401 HydrophobicContact CZ2-CB 3.3Å; W52-C401 HydrophobicContact CZ3-CB 3.77Å; W52-C401 PolarHBondContact O-N 3.47Å; I390-C401 CarbonylContact O-C 3.51Å; I390-C401 WeakPolarHBondContact O-CA 3.27Å; V391-C401 HydrophobicContact CG2-CB 4.32Å
402	W	93.4	Very high	78.5	Confident	11 Å²	11	53 Å²	53	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.7	-177.7	-64.1	76.7	0	0	0	110.2	P47 E49 V50 W357 Y371 C373 Q389 I390 T392	P47-W402 HydrophobicContact CB-CB 3.96Å; E49-W402 CarbonylContact O-C 3.5Å; E49-W402 WeakPolarHBondContact O-CA 3.38Å; V50-W402 HydrophobicContact CG2-CD2 3.85Å; V50-W402 HydrophobicContact CG2-CE3 3.92Å; V50-W402 HydrophobicContact CG2-CH2 3.52Å; V50-W402 HydrophobicContact CG2-CZ2 3.43Å; V50-W402 VanDerWaalsContact CG2-CZ2 3.43Å; V50-W402 HydrophobicContact CG2-CZ3 3.77Å; W357-W402 AromaticContact CZ2-CD2 3.77Å; W357-W402 HydrophobicContact CZ2-CD2 3.77Å; W357-W402 AromaticContact CZ2-CE3 3.87Å; W357-W402 HydrophobicContact CZ2-CE3 3.87Å; W357-W402 HydrophobicContact CZ2-CG 4.13Å; W357-W402 HydrophobicContact CZ2-CZ3 4.29Å; W357-W402 AromaticContact NE1-CE2 3.62Å; W357-W402 AromaticContact NE1-CH2 3.79Å; W357-W402 AromaticContact NE1-CZ2 3.41Å; Y371-W402 HydrophobicContact CD1-CZ3 4.38Å; Y371-W402 HydrophobicContact CG-CZ3 4.17Å; C373-W402 HydrophobicContact CB-CZ2 3.94Å; Q389-W402 CarbonylContact C-O 3.57Å; Q389-W402 VanDerWaalsContact CA-O 3.27Å; Q389-W402 WeakPolarHBondContact CA-O 3.18Å; I390-W402 HydrophobicContact CB-CB 4.28Å; I390-W402 PolarHBondContact N-O 2.85Å; I390-W402 WeakPolarHBondContact O-CB 3.39Å; I390-W402 PolarHBondContact O-N 3.01Å; T392-W402 PolarHBondContact OG1-NE1 2.9Å
403	V	91	Very high	75.5	Confident	30 Å²	30	62.2 Å²	62.2	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	165.9	176.3	-61.1	0	0	0	0	111.3	N48 E49 L51 Q389	N48-V403 PolarHBondContact N-O 3.36Å; N48-V403 PolarHBondContact OD1-O 3.3Å; E49-V403 PolarHBondContact N-O 3.19Å; E49-V403 VanDerWaalsContact N-O 3.1Å; E49-V403 PolarHBondContact O-N 2.97Å; L51-V403 HydrophobicContact CB-CG1 4.07Å; L51-V403 HydrophobicContact CB-CG2 4.03Å; L51-V403 HydrophobicContact CD1-CG2 4.14Å; L51-V403 HydrophobicContact CD2-CG1 3.89Å; L51-V403 HydrophobicContact CG-CG1 4.46Å; Q389-V403 HydrophobicContact CG-CG1 4.15Å
404	Y	88.3	Confident	72.6	Confident	68 Å²	68	71.6 Å²	71.6	27%	0.267	36%	0.357	S	S	.	.			trans	-83.5	117	174.1	176	-105.9	0	0	0	111.6	T45 I46 R406 T409	T45-Y404 HydrophobicContact CG2-CD1 3.86Å; T45-Y404 HydrophobicContact CG2-CE1 3.68Å; T45-Y404 HydrophobicContact CG2-CG 4.41Å; T45-Y404 WeakPolarHBondContact O-CB 3.45Å; I46-Y404 VanDerWaalsContact O-CD2 3.24Å; I46-Y404 WeakPolarHBondContact O-CD2 3.47Å; Y404-R406 HydrophobicContact CE1-CB 3.93Å; Y404-R406 HydrophobicContact CE1-CG 4.46Å; Y404-T409 HydrophobicContact CE2-CG2 3.8Å
405	N	83.6	Confident	69.8	Low	50 Å²	50	83.2 Å²	83.2	27%	0.267	40%	0.399	S	S	.	.			trans	-107.9	119.5	165.4	-170.2	-23.8	0	0	0	111	N48 E49 S407	N48-N405 PolarHBondContact ND2-O 3.14Å; N48-N405 PolarHBondContact OD1-N 3.08Å; N48-N405 PolarHBondContact OD1-O 2.93Å; E49-N405 HydrophobicContact CB-CB 4.2Å; E49-N405 WeakPolarHBondContact OE2-CB 3.44Å; E49-N405 VanDerWaalsContact OE2-CG 3.29Å; E49-N405 PolarHBondContact OE2-ND2 3.42Å; N405-S407 VanDerWaalsContact C-N 3.3Å; N405-S407 VanDerWaalsContact CG-OG 3.24Å; N405-S407 PolarHBondContact ND2-OG 3.23Å; N405-S407 PolarHBondContact O-N 2.87Å; N405-S407 WeakPolarHBondContact OD1-CB 3.44Å; N405-S407 PolarHBondContact OD1-N 2.78Å; N405-S407 PolarHBondContact OD1-OG 3.05Å
406	R	77.8	Confident	67.2	Low	186 Å²	186	86.5 Å²	86.5	70%	0.702	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-63.6	-32.8	179.4	-168.7	175.5	-177.6	-178.5	1.4	112.9	Y404 K408 T409	Y404-R406 HydrophobicContact CE1-CB 3.93Å; Y404-R406 HydrophobicContact CE1-CG 4.46Å; R406-K408 VanDerWaalsContact C-N 3.3Å; R406-K408 PolarHBondContact O-N 2.87Å; R406-T409 PolarHBondContact O-N 2.92Å; R406-T409 PolarHBondContact O-OG1 2.86Å
407	S	74.2	Confident	64.8	Low	75 Å²	75	93.7 Å²	93.7	52%	0.524	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-61.2	-33.9	-174.4	66.4	0	0	0	0	113.5	N405 T409 T410	N405-S407 VanDerWaalsContact C-N 3.3Å; N405-S407 VanDerWaalsContact CG-OG 3.24Å; N405-S407 PolarHBondContact ND2-OG 3.23Å; N405-S407 PolarHBondContact O-N 2.87Å; N405-S407 WeakPolarHBondContact OD1-CB 3.44Å; N405-S407 PolarHBondContact OD1-N 2.78Å; N405-S407 PolarHBondContact OD1-OG 3.05Å; S407-T409 VanDerWaalsContact C-N 3.28Å; S407-T409 PolarHBondContact O-N 2.84Å; S407-T410 PolarHBondContact O-OG1 2.95Å
408	K	66.4	Low	62.4	Low	119 Å²	119	103 Å²	103	52%	0.517	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-72	-18.4	175.3	-79.3	-177.1	170.4	158.9	0	113.9	E49 R406	E49-K408 VanDerWaalsContact OE1-CE 3.3Å; E49-K408 WeakPolarHBondContact OE1-CE 3.5Å; E49-K408 IonicContact OE1-NZ 2.92Å; E49-K408 PolarHBondContact OE1-NZ 3.24Å; R406-K408 VanDerWaalsContact C-N 3.3Å; R406-K408 PolarHBondContact O-N 2.87Å
409	T	57	Low	59.6	Low	58 Å²	58	111.1 Å²	111.1	36%	0.356	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-83.8	-22.4	-179.8	65.9	0	0	0	0	113.5	Y404 R406 S407 H411	Y404-T409 HydrophobicContact CE2-CG2 3.8Å; R406-T409 PolarHBondContact O-N 2.92Å; R406-T409 PolarHBondContact O-OG1 2.86Å; S407-T409 VanDerWaalsContact C-N 3.28Å; S407-T409 PolarHBondContact O-N 2.84Å; T409-H411 PolarHBondContact O-N 3.07Å
410	T	44.7	Very low	56.5	Low	99 Å²	99	119.3 Å²	119.3	61%	0.607	57%	0.567	S	S	*	*	S	Bend	trans	-71.3	107.8	175.3	54	0	0	0	0	108.5	S407	S407-T410 PolarHBondContact O-OG1 2.95Å
411	H	42.9	Very low	53.4	Low	168 Å²	168	126.2 Å²	126.2	78%	0.778	60%	0.598	S	S	*	*			trans	-42.1	136.7	172.3	-69.9	-68.5	0	0	0	109.9	T409 K413	T409-H411 PolarHBondContact O-N 3.07Å; H411-K413 PolarHBondContact O-N 3.07Å
412	P	37.4	Very low	50.2	Low	123 Å²	123	131.8 Å²	131.8	80%	0.799	64%	0.637	S	S	*	*			trans	-55.1	109	175.8	21.7	-30.4	0	0	0	107	K414	P412-K414 PolarHBondContact O-N 2.99Å
413	K	32.7	Very low	47.1	Very low	198 Å²	198	139.2 Å²	139.2	86%	0.861	67%	0.67	S	S	*	*			trans	-51.5	121.8	172.8	-76.1	-178.2	177.1	177.2	0	105.2	H411 R415	H411-K413 PolarHBondContact O-N 3.07Å; K413-R415 PolarHBondContact O-N 3.32Å
414	K	33.6	Very low	44.2	Very low	200 Å²	200	145.9 Å²	145.9	87%	0.87	70%	0.699	S	S	*	*			trans	-37.9	120.1	176.4	-77.5	-177.1	174.6	-179.6	0	107.5	P412 S416	P412-K414 PolarHBondContact O-N 2.99Å; K414-S416 PolarHBondContact O-N 2.96Å
415	R	30.3	Very low	41.3	Very low	249 Å²	249	150.6 Å²	150.6	94%	0.94	73%	0.728	S	S	*	*			trans	-47.9	88.7	179.6	-95.7	175.9	158.7	175.4	-4.6	109.3	K413 Q417	K413-R415 PolarHBondContact O-N 3.32Å; R415-Q417 PolarHBondContact O-N 2.85Å
416	S	32.1	Very low	38.6	Very low	101 Å²	101	154.8 Å²	154.8	71%	0.706	75%	0.75	S	S	*	*			trans	-78.7	109.1	163.1	54.2	0	0	0	0	104.8	K414 K418	K414-S416 PolarHBondContact O-N 2.96Å; S416-K418 VanDerWaalsContact C-N 3.28Å; S416-K418 PolarHBondContact O-N 3.3Å
417	Q	29.7	Very low	36.3	Very low	196 Å²	196	150.4 Å²	150.4	92%	0.916	75%	0.748	S	S	*	*			trans	-55.9	92.1	174	-69.2	175	-11.2	0	0	109.4	R415	R415-Q417 PolarHBondContact O-N 2.85Å
418	K	30.6	Very low	34.4	Very low	194 Å²	194	151.1 Å²	151.1	84%	0.843	75%	0.753	S	S	*	*			trans	-124.8	93	157.9	-82.8	-170.8	173.4	-176.2	0	106.7	S416 Q420	S416-K418 VanDerWaalsContact C-N 3.28Å; S416-K418 PolarHBondContact O-N 3.3Å; K418-Q420 PolarHBondContact O-N 3.45Å
419	K	28.2	Very low	32.8	Very low	205 Å²	205	154.9 Å²	154.9	89%	0.891	77%	0.77	S	S	*	*			trans	-53.7	113	152.7	-79.7	177	171.5	179.4	0	106.1
420	Q	26.3	Very low	31.7	Very low	172 Å²	172	155.9 Å²	155.9	80%	0.804	77%	0.773	S	S	*	*			trans	179.7	127.7	138.4	-99.7	160.5	2.2	0	0	110	K418	K418-Q420 PolarHBondContact O-N 3.45Å
421	E	28.1	Very low	31.1	Very low	149 Å²	149	156.1 Å²	156.1	70%	0.696	78%	0.776	S	S	*	*			trans	69.3	92.4	154.3	-62.1	177.4	-171.4	0	0	116.3	K423	E421-K423 PolarHBondContact O-N 3.29Å
422	S	26.1	Very low	30.8	Very low	117 Å²	117	153.7 Å²	153.7	82%	0.818	77%	0.767	S	S	*	*			trans	-56.9	70.9	155.8	52.5	0	0	0	0	110.7	H424	S422-H424 PolarHBondContact O-N 2.76Å
423	K	28.8	Very low	31.2	Very low	166 Å²	166	151.5 Å²	151.5	72%	0.722	75%	0.751	S	S	*	*			trans	-68.7	108	151.5	-73.7	-176.3	178.6	178.3	0	104.5	E421 L425	E421-K423 PolarHBondContact O-N 3.29Å; K423-L425 PolarHBondContact O-N 3.25Å
424	H	28.7	Very low	31.8	Very low	171 Å²	171	150.1 Å²	150.1	79%	0.792	75%	0.748	S	S	*	*			trans	-44.3	94.6	166.2	-89.3	-87.6	0	0	0	107.6	S422 N426	S422-H424 PolarHBondContact O-N 2.76Å; H424-N426 VanDerWaalsContact C-N 3.31Å; H424-N426 PolarHBondContact O-N 3.25Å
425	L	28.4	Very low	32.6	Very low	166 Å²	166	142.1 Å²	142.1	87%	0.869	72%	0.719	S	S	*	*			trans	-62.5	106.2	166.6	-86	149.1	0	0	0	103	K423 S427	K423-L425 PolarHBondContact O-N 3.25Å; L425-S427 PolarHBondContact O-N 3.45Å
426	N	27.3	Very low	34.1	Very low	138 Å²	138	134.6 Å²	134.6	74%	0.738	70%	0.698	S	S	*	*			trans	-49.6	94.9	170.9	-75.4	-22.4	0	0	0	106.9	H424 S428	H424-N426 VanDerWaalsContact C-N 3.31Å; H424-N426 PolarHBondContact O-N 3.25Å; N426-S428 PolarHBondContact O-N 3.21Å
427	S	29.3	Very low	35.6	Very low	94 Å²	94	135.6 Å²	135.6	66%	0.657	70%	0.695	S	S	*	*			trans	-58	109.4	173.8	51.2	0	0	0	0	105.4	L425	L425-S427 PolarHBondContact O-N 3.45Å
428	S	34	Very low	37.5	Very low	91 Å²	91	131.4 Å²	131.4	64%	0.636	68%	0.676	S	S	*	*			trans	26.8	108.4	164.3	52	0	0	0	0	115.4	N426 L430	N426-S428 PolarHBondContact O-N 3.21Å; S428-L430 PolarHBondContact O-N 3.44Å
429	F	33.4	Very low	39.3	Very low	197 Å²	197	124.4 Å²	124.4	86%	0.864	65%	0.649	S	S	*	*			trans	-43.9	80	160.9	-66.8	-96.8	0	0	0	111.9
430	L	34.1	Very low	41.2	Very low	80 Å²	80	116.9 Å²	116.9	42%	0.419	62%	0.616	S	S	.	*			trans	-87.8	123.1	154.3	-71.4	174.3	0	0	0	105	S428 I432 I458	S428-L430 PolarHBondContact O-N 3.44Å; L430-I432 PolarHBondContact O-N 2.81Å; L430-I458 HydrophobicContact CB-CD1 4.46Å; L430-I458 HydrophobicContact CD1-CD1 3.66Å; L430-I458 HydrophobicContact CD1-CG1 4.17Å
431	P	32.1	Very low	43.3	Very low	103 Å²	103	112.8 Å²	112.8	67%	0.669	60%	0.6	S	S	*	*			trans	-57.4	130.2	-178.9	22.3	-30	0	0	0	108.6	V433	P431-V433 VanDerWaalsContact C-N 3.26Å; P431-V433 PolarHBondContact O-N 2.78Å
432	I	36.4	Very low	45.5	Very low	118 Å²	118	106.7 Å²	106.7	61%	0.605	57%	0.572	S	S	*	*			trans	-64.9	95.5	167	-63.2	168.1	0	0	0	105	L430 E434 H462	L430-I432 PolarHBondContact O-N 2.81Å; I432-E434 VanDerWaalsContact C-N 3.31Å; I432-E434 HydrophobicContact CG2-CG 4.38Å; I432-E434 PolarHBondContact O-N 2.73Å; I432-H462 WeakPolarHBondContact CG2-NE2 3.44Å
433	V	45.3	Very low	47.7	Very low	76 Å²	76	102 Å²	102	46%	0.461	54%	0.537	S	S	.	.			trans	-77	92.2	173.7	-174.7	0	0	0	0	106.1	P431 A435	P431-V433 VanDerWaalsContact C-N 3.26Å; P431-V433 PolarHBondContact O-N 2.78Å; V433-A435 PolarHBondContact O-N 3.12Å
434	E	44.6	Very low	49.9	Very low	169 Å²	169	100.5 Å²	100.5	79%	0.79	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-62.5	116.5	157.3	-73.5	-169.1	163	0	0	106.6	I432 D436	I432-E434 VanDerWaalsContact C-N 3.31Å; I432-E434 HydrophobicContact CG2-CG 4.38Å; I432-E434 PolarHBondContact O-N 2.73Å; E434-D436 PolarHBondContact O-N 2.92Å; E434-D436 VanDerWaalsContact O-N 3.16Å
435	A	51.2	Low	52.2	Low	33 Å²	33	97 Å²	97	27%	0.273	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-65.3	116.9	-179.8	0	0	0	0	0	109.4	V433 T439 L467	V433-A435 PolarHBondContact O-N 3.12Å; A435-T439 HydrophobicContact CB-CG2 3.63Å; A435-L467 HydrophobicContact CB-CD1 3.65Å; A435-L467 HydrophobicContact CB-CD2 3.42Å; A435-L467 VanDerWaalsContact CB-CD2 3.42Å; A435-L467 HydrophobicContact CB-CG 3.84Å
436	D	60.7	Low	54.7	Low	90 Å²	90	89.4 Å²	89.4	48%	0.481	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-59.6	164.8	158.5	52.6	23.1	0	0	0	110.8	E434 E438 T439 F440	E434-D436 PolarHBondContact O-N 2.92Å; E434-D436 VanDerWaalsContact O-N 3.16Å; D436-E438 PolarHBondContact O-N 3.05Å; D436-E438 VanDerWaalsContact O-N 3.12Å; D436-T439 PolarHBondContact O-N 3.49Å; D436-T439 VanDerWaalsContact O-N 3.1Å; D436-T439 WeakPolarHBondContact OD1-CB 3.25Å; D436-T439 PolarHBondContact OD1-N 3.43Å; D436-T439 PolarHBondContact OD1-OG1 3.15Å; D436-F440 PolarHBondContact O-N 3.27Å; D436-F440 VanDerWaalsContact O-N 3.09Å
437	D	64.7	Low	57	Low	122 Å²	122	84.4 Å²	84.4	65%	0.652	45%	0.447	S	S	*	.	H	α-helix	trans	-57.8	-26.4	179.2	-74.7	-35.3	0	0	0	112.1	N441	D437-N441 PolarHBondContact O-N 3.26Å; D437-N441 VanDerWaalsContact O-N 3.1Å; D437-N441 PolarHBondContact O-ND2 3.44Å; D437-N441 VanDerWaalsContact O-ND2 3.16Å
438	E	69.2	Low	59.3	Low	109 Å²	109	86.4 Å²	86.4	51%	0.509	44%	0.444	S	S	.	.	H	α-helix	trans	-66.2	-52	173.9	-168.5	176.8	171.5	0	0	111.2	R92 D436 F440 N441 E442	R92-E438 IonicContact CZ-OE1 3.72Å; R92-E438 IonicContact NH1-OE1 3.87Å; R92-E438 PolarHBondContact NH1-OE1 2.93Å; R92-E438 IonicContact NH2-OE1 3.42Å; R92-E438 PolarHBondContact NH2-OE1 2.97Å; D436-E438 PolarHBondContact O-N 3.05Å; D436-E438 VanDerWaalsContact O-N 3.12Å; E438-F440 PolarHBondContact O-N 3.41Å; E438-N441 PolarHBondContact O-N 3.07Å; E438-E442 WeakPolarHBondContact O-CG 3.38Å; E438-E442 PolarHBondContact O-N 2.83Å
439	T	68	Low	61.4	Low	47 Å²	47	82.8 Å²	82.8	29%	0.288	42%	0.42	S	S	.	.	H	α-helix	trans	-57.8	-38.8	177.1	-58.6	0	0	0	0	111.4	A435 D436 E442 L443	A435-T439 HydrophobicContact CB-CG2 3.63Å; D436-T439 PolarHBondContact O-N 3.49Å; D436-T439 VanDerWaalsContact O-N 3.1Å; D436-T439 WeakPolarHBondContact OD1-CB 3.25Å; D436-T439 PolarHBondContact OD1-N 3.43Å; D436-T439 PolarHBondContact OD1-OG1 3.15Å; T439-E442 PolarHBondContact O-N 3.2Å; T439-L443 HydrophobicContact CG2-CD1 4.18Å; T439-L443 WeakPolarHBondContact O-CG 3.28Å; T439-L443 PolarHBondContact O-N 3.11Å
440	F	67.8	Low	63.5	Low	46 Å²	46	74.1 Å²	74.1	20%	0.202	39%	0.386	C	S	.	.	H	α-helix	trans	-64	-42.4	175.9	-175.1	-94	0	0	0	112.5	D436 E438 E442 L443 R444 R466 F470	D436-F440 PolarHBondContact O-N 3.27Å; D436-F440 VanDerWaalsContact O-N 3.09Å; E438-F440 PolarHBondContact O-N 3.41Å; F440-E442 VanDerWaalsContact C-N 3.35Å; F440-L443 PolarHBondContact O-N 3.13Å; F440-R444 WeakPolarHBondContact O-CB 3.29Å; F440-R444 PolarHBondContact O-N 3.2Å; F440-R466 HydrophobicContact CD2-CB 4.33Å; F440-R466 HydrophobicContact CE2-CB 4.02Å; F440-F470 HydrophobicContact CD2-CE2 4.02Å; F440-F470 HydrophobicContact CE2-CD2 4.42Å; F440-F470 AromaticContact CE2-CE2 3.57Å; F440-F470 HydrophobicContact CE2-CE2 3.57Å; F440-F470 HydrophobicContact CE2-CZ 4.44Å; F440-F470 AromaticContact CZ-CE2 3.92Å; F440-F470 HydrophobicContact CZ-CE2 3.92Å; F440-F470 HydrophobicContact CZ-CZ 4.37Å
441	N	71.9	Confident	65.8	Low	87 Å²	87	70.5 Å²	70.5	47%	0.465	37%	0.367	S	S	.	.	H	α-helix	trans	-65.1	-38.8	176.6	-75.9	-32.6	0	0	0	112.1	D437 E438 R444 K445	D437-N441 PolarHBondContact O-N 3.26Å; D437-N441 VanDerWaalsContact O-N 3.1Å; D437-N441 PolarHBondContact O-ND2 3.44Å; D437-N441 VanDerWaalsContact O-ND2 3.16Å; E438-N441 PolarHBondContact O-N 3.07Å; N441-R444 WeakPolarHBondContact O-CB 3.43Å; N441-R444 PolarHBondContact O-N 2.95Å; N441-K445 PolarHBondContact O-N 2.95Å
442	E	72.7	Confident	68.1	Low	21 Å²	21	69.8 Å²	69.8	10%	0.098	35%	0.354	C	S	.	.	H	α-helix	trans	-65.8	-44	176.2	-67.6	-58	135.6	0	0	112.2	R92 E438 T439 F440 R444 K445 L446	R92-E442 WeakPolarHBondContact CG-OE2 3.37Å; R92-E442 VanDerWaalsContact CZ-CD 3.44Å; R92-E442 IonicContact CZ-OE1 3.47Å; R92-E442 IonicContact CZ-OE2 2.72Å; R92-E442 IonicContact NE-OE1 2.81Å; R92-E442 IonicContact NE-OE2 3.97Å; R92-E442 PolarHBondContact NE-OE2 3.36Å; R92-E442 IonicContact NH2-OE1 2.91Å; R92-E442 PolarHBondContact NH2-OE1 2.93Å; R92-E442 IonicContact NH2-OE2 3.49Å; E438-E442 WeakPolarHBondContact O-CG 3.38Å; E438-E442 PolarHBondContact O-N 2.83Å; T439-E442 PolarHBondContact O-N 3.2Å; F440-E442 VanDerWaalsContact C-N 3.35Å; E442-R444 PolarHBondContact O-N 3.24Å; E442-K445 WeakPolarHBondContact O-CB 3.27Å; E442-K445 PolarHBondContact O-N 3.38Å; E442-K445 VanDerWaalsContact O-N 3.14Å; E442-K445 IonicContact OE1-NZ 3.62Å; E442-K445 PolarHBondContact OE1-NZ 2.88Å; E442-K445 IonicContact OE2-NZ 3.38Å; E442-L446 PolarHBondContact O-N 3.47Å
443	L	73.7	Confident	70.2	Confident	17 Å²	17	64.6 Å²	64.6	9%	0.089	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-32	173.4	-72.9	170.3	0	0	0	112.5	T439 F440 L446 A447 Y453 L467 F470	T439-L443 HydrophobicContact CG2-CD1 4.18Å; T439-L443 WeakPolarHBondContact O-CG 3.28Å; T439-L443 PolarHBondContact O-N 3.11Å; F440-L443 PolarHBondContact O-N 3.13Å; L443-L446 HydrophobicContact CD2-CD1 3.96Å; L443-L446 WeakPolarHBondContact O-CB 3.31Å; L443-L446 PolarHBondContact O-N 2.83Å; L443-A447 WeakPolarHBondContact O-CB 3.41Å; L443-A447 PolarHBondContact O-N 2.88Å; L443-Y453 HydrophobicContact CD2-CD2 4.13Å; L443-L467 HydrophobicContact CD1-CD2 3.15Å; L443-F470 HydrophobicContact CB-CB 4.05Å; L443-F470 HydrophobicContact CB-CD2 3.73Å; L443-F470 HydrophobicContact CB-CE2 4.29Å; L443-F470 HydrophobicContact CB-CG 3.9Å; L443-F470 HydrophobicContact CD1-CB 4.46Å; L443-F470 HydrophobicContact CD1-CD2 4.45Å; L443-F470 HydrophobicContact CD2-CB 4.35Å
444	R	73.7	Confident	71.7	Confident	135 Å²	135	66 Å²	66	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-68.2	-38	173.5	-166.2	178.2	-173.6	177.4	1.9	112	F440 N441 E442 K448 F470	F440-R444 WeakPolarHBondContact O-CB 3.29Å; F440-R444 PolarHBondContact O-N 3.2Å; N441-R444 WeakPolarHBondContact O-CB 3.43Å; N441-R444 PolarHBondContact O-N 2.95Å; E442-R444 PolarHBondContact O-N 3.24Å; R444-K448 WeakPolarHBondContact O-CB 3.47Å; R444-K448 VanDerWaalsContact O-CG 3.31Å; R444-K448 WeakPolarHBondContact O-CG 3.5Å; R444-K448 PolarHBondContact O-N 2.91Å; R444-F470 HydrophobicContact CB-CZ 4.05Å; R444-F470 HydrophobicContact CG-CZ 4.28Å
445	K	78.4	Confident	72.7	Confident	97 Å²	97	58.4 Å²	58.4	42%	0.422	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-48.3	172.5	-70.3	175.4	-177.9	168.5	0	110.8	Y93 N441 E442 A447 K448 A449	Y93-K445 HydrophobicContact CD1-CB 4.25Å; N441-K445 PolarHBondContact O-N 2.95Å; E442-K445 WeakPolarHBondContact O-CB 3.27Å; E442-K445 PolarHBondContact O-N 3.38Å; E442-K445 VanDerWaalsContact O-N 3.14Å; E442-K445 IonicContact OE1-NZ 3.62Å; E442-K445 PolarHBondContact OE1-NZ 2.88Å; E442-K445 IonicContact OE2-NZ 3.38Å; K445-A447 PolarHBondContact O-N 3.24Å; K445-K448 WeakPolarHBondContact O-CB 3.38Å; K445-K448 PolarHBondContact O-N 2.9Å; K445-A449 PolarHBondContact O-N 3.23Å
446	L	80.4	Confident	73	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-52.5	-51.2	174.2	-83.8	160.2	0	0	0	112.1	L54 F84 Y93 E442 L443 K448 A449 G450 L451 Y453	L54-L446 HydrophobicContact CD1-CD2 4.29Å; L54-L446 HydrophobicContact CD2-CD2 4.48Å; F84-L446 HydrophobicContact CE1-CD2 4.28Å; Y93-L446 VanDerWaalsContact CB-CD2 3.42Å; Y93-L446 HydrophobicContact CG-CD2 4.27Å; E442-L446 PolarHBondContact O-N 3.47Å; L443-L446 HydrophobicContact CD2-CD1 3.96Å; L443-L446 WeakPolarHBondContact O-CB 3.31Å; L443-L446 PolarHBondContact O-N 2.83Å; L446-K448 VanDerWaalsContact C-N 3.34Å; L446-K448 PolarHBondContact O-N 3.14Å; L446-A449 CarbonylContact O-C 3.58Å; L446-A449 WeakPolarHBondContact O-CA 3.43Å; L446-A449 WeakPolarHBondContact O-CB 3.46Å; L446-A449 PolarHBondContact O-N 3.49Å; L446-A449 VanDerWaalsContact O-N 3.11Å; L446-G450 PolarHBondContact O-N 2.99Å; L446-L451 CarbonylContact C-O 3.55Å; L446-L451 HydrophobicContact CB-CB 4.46Å; L446-L451 HydrophobicContact CD2-CB 3.94Å; L446-L451 HydrophobicContact CD2-CD1 3.79Å; L446-L451 WeakPolarHBondContact O-CB 3.27Å; L446-L451 PolarHBondContact O-N 2.89Å; L446-Y453 HydrophobicContact CD1-CD2 4.22Å; L446-Y453 HydrophobicContact CD1-CE2 3.68Å
447	A	76.6	Confident	72.1	Confident	32 Å²	32	61.5 Å²	61.5	26%	0.264	31%	0.314	S	S	.	.	H	α-helix	trans	-69.7	-30.1	-178.6	0	0	0	0	0	113.6	L443 K445 A449 G450 F470	L443-A447 WeakPolarHBondContact O-CB 3.41Å; L443-A447 PolarHBondContact O-N 2.88Å; K445-A447 PolarHBondContact O-N 3.24Å; A447-A449 VanDerWaalsContact C-N 3.3Å; A447-G450 PolarHBondContact O-N 3.04Å; A447-G450 VanDerWaalsContact O-N 3.13Å; A447-F470 HydrophobicContact CB-CD1 3.37Å; A447-F470 HydrophobicContact CB-CE1 3.46Å; A447-F470 VanDerWaalsContact CB-CE1 3.46Å
448	K	77.3	Confident	70.8	Confident	136 Å²	136	57.6 Å²	57.6	59%	0.591	29%	0.293	S	S	*	.	H	α-helix	trans	-64	-37.8	169.8	-78.5	177.9	179.6	-175.8	0	111.5	R444 K445 L446 G450	R444-K448 WeakPolarHBondContact O-CB 3.47Å; R444-K448 VanDerWaalsContact O-CG 3.31Å; R444-K448 WeakPolarHBondContact O-CG 3.5Å; R444-K448 PolarHBondContact O-N 2.91Å; K445-K448 WeakPolarHBondContact O-CB 3.38Å; K445-K448 PolarHBondContact O-N 2.9Å; L446-K448 VanDerWaalsContact C-N 3.34Å; L446-K448 PolarHBondContact O-N 3.14Å; K448-G450 PolarHBondContact O-N 2.81Å
449	A	76.3	Confident	69.4	Low	16 Å²	16	54.4 Å²	54.4	13%	0.132	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	3	173.4	0	0	0	0	0	113.6	Y93 K445 L446 A447 L451	Y93-A449 HydrophobicContact CD2-CB 4.47Å; Y93-A449 HydrophobicContact CE1-CB 4.08Å; Y93-A449 HydrophobicContact CE2-CB 3.92Å; K445-A449 PolarHBondContact O-N 3.23Å; L446-A449 CarbonylContact O-C 3.58Å; L446-A449 WeakPolarHBondContact O-CA 3.43Å; L446-A449 WeakPolarHBondContact O-CB 3.46Å; L446-A449 PolarHBondContact O-N 3.49Å; L446-A449 VanDerWaalsContact O-N 3.11Å; A447-A449 VanDerWaalsContact C-N 3.3Å; A449-L451 HydrophobicContact CB-CD1 4.06Å; A449-L451 HydrophobicContact CB-CG 4.37Å
450	G	77.8	Confident	68.1	Low	14 Å²	14	59.8 Å²	59.8	14%	0.144	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	26	178.6	0	0	0	0	0	114.2	Y57 L446 A447 K448	Y57-G450 WeakPolarHBondContact CD2-O 3.4Å; Y57-G450 WeakPolarHBondContact CE2-O 3.49Å; L446-G450 PolarHBondContact O-N 2.99Å; A447-G450 PolarHBondContact O-N 3.04Å; A447-G450 VanDerWaalsContact O-N 3.13Å; K448-G450 PolarHBondContact O-N 2.81Å
451	L	82.6	Confident	66.8	Low	5 Å²	5	67.7 Å²	67.7	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137	-178.2	-58.7	164.2	0	0	0	110.4	L54 G55 C56 F84 Y93 L446 A449	L54-L451 HydrophobicContact CD1-CB 3.99Å; L54-L451 HydrophobicContact CD2-CB 4.29Å; L54-L451 HydrophobicContact CD2-CD1 4.26Å; L54-L451 HydrophobicContact CD2-CD2 4.08Å; L54-L451 HydrophobicContact CD2-CG 4.45Å; L54-L451 HydrophobicContact CG-CB 4.18Å; L54-L451 HydrophobicContact CG-CD2 4.28Å; G55-L451 WeakPolarHBondContact O-CA 3.31Å; C56-L451 HydrophobicContact CB-CD2 3.85Å; F84-L451 HydrophobicContact CE1-CD1 3.88Å; F84-L451 HydrophobicContact CZ-CD1 3.87Å; Y93-L451 HydrophobicContact CD2-CD1 3.77Å; Y93-L451 HydrophobicContact CE2-CD1 4.19Å; Y93-L451 HydrophobicContact CG-CD1 4.5Å; L446-L451 CarbonylContact C-O 3.55Å; L446-L451 HydrophobicContact CB-CB 4.46Å; L446-L451 HydrophobicContact CD2-CB 3.94Å; L446-L451 HydrophobicContact CD2-CD1 3.79Å; L446-L451 WeakPolarHBondContact O-CB 3.27Å; L446-L451 PolarHBondContact O-N 2.89Å; A449-L451 HydrophobicContact CB-CD1 4.06Å; A449-L451 HydrophobicContact CB-CG 4.37Å
452	K	80.3	Confident	65.2	Low	87 Å²	87	65.5 Å²	65.5	38%	0.378	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.3	179.9	-163.1	-175.4	-170.6	-175	0	111.3	G55 F470 G472	G55-K452 PolarHBondContact N-O 2.66Å; G55-K452 PolarHBondContact O-N 3.46Å; G55-K452 VanDerWaalsContact O-N 3.1Å; K452-F470 WeakPolarHBondContact CG-O 3.28Å; K452-G472 VanDerWaalsContact CE-N 3.31Å
453	Y	81.7	Confident	63.7	Low	10 Å²	10	72.9 Å²	72.9	4%	0.039	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	140.3	174.9	-85.4	-70.8	0	0	0	111.2	W52 S53 L54 Y90 F91 L443 L446 F470 I471 G472	W52-Y453 HydrophobicContact CB-CD1 4.24Å; W52-Y453 HydrophobicContact CB-CE1 4.48Å; W52-Y453 HydrophobicContact CD2-CD1 4.38Å; W52-Y453 AromaticContact CD2-CE1 3.79Å; W52-Y453 HydrophobicContact CD2-CE1 3.79Å; W52-Y453 HydrophobicContact CE3-CD1 4.25Å; W52-Y453 AromaticContact CE3-CE1 3.66Å; W52-Y453 HydrophobicContact CE3-CE1 3.66Å; W52-Y453 HydrophobicContact CG-CD1 4.4Å; W52-Y453 HydrophobicContact CG-CE1 4.15Å; W52-Y453 HydrophobicContact CZ3-CE1 4.18Å; S53-Y453 CarbonylContact O-C 3.59Å; S53-Y453 WeakPolarHBondContact O-CA 3.4Å; L54-Y453 HydrophobicContact CB-CD1 4.42Å; L54-Y453 HydrophobicContact CB-CE1 4.24Å; L54-Y453 HydrophobicContact CD1-CD1 3.91Å; L54-Y453 HydrophobicContact CD1-CD2 3.88Å; L54-Y453 HydrophobicContact CD1-CE1 3.9Å; L54-Y453 HydrophobicContact CD1-CE2 3.89Å; L54-Y453 HydrophobicContact CD1-CG 3.89Å; Y90-Y453 HydrophobicContact CD1-CD1 4.5Å; Y90-Y453 HydrophobicContact CD1-CE1 4.2Å; F91-Y453 WeakPolarHBondContact CA-OH 3.29Å; F91-Y453 WeakPolarHBondContact CB-OH 3.45Å; F91-Y453 PolarHBondContact N-OH 2.86Å; F91-Y453 PolarHBondContact O-OH 2.91Å; L443-Y453 HydrophobicContact CD2-CD2 4.13Å; L446-Y453 HydrophobicContact CD1-CD2 4.22Å; L446-Y453 HydrophobicContact CD1-CE2 3.68Å; Y453-F470 PolarHBondContact N-O 2.98Å; Y453-I471 CarbonylContact O-C 3.59Å; Y453-I471 VanDerWaalsContact O-CA 3.26Å; Y453-I471 WeakPolarHBondContact O-CA 3.43Å; Y453-G472 PolarHBondContact O-N 2.9Å
454	R	75.7	Confident	62.2	Low	104 Å²	104	78.1 Å²	78.1	39%	0.392	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.2	167.7	-68.5	-170.1	-93.5	-171.8	-5.9	107.1	S53 D398	S53-R454 PolarHBondContact N-O 2.92Å; S53-R454 PolarHBondContact O-N 3.17Å; D398-R454 IonicContact OD1-CZ 3.4Å; D398-R454 IonicContact OD1-NE 3.17Å; D398-R454 IonicContact OD1-NH2 2.98Å; D398-R454 PolarHBondContact OD1-NH2 2.75Å; D398-R454 IonicContact OD2-NH2 3.2Å; D398-R454 PolarHBondContact OD2-NH2 3.17Å
455	V	66	Low	61.2	Low	11 Å²	11	73.3 Å²	73.3	7%	0.067	37%	0.371	C	S	.	.			trans	-124.8	131	-175.7	-174.2	0	0	0	0	109.1	W52 Y90 I458 I471	W52-V455 HydrophobicContact CB-CG2 4.18Å; Y90-V455 HydrophobicContact CE1-CG2 4.28Å; V455-I458 HydrophobicContact CG1-CB 4.22Å; V455-I458 HydrophobicContact CG1-CD1 3.72Å; V455-I458 HydrophobicContact CG1-CG1 3.93Å; V455-I471 HydrophobicContact CG2-CG2 4.48Å
456	Q	56.8	Low	59.8	Low	115 Å²	115	76.9 Å²	76.9	54%	0.537	38%	0.382	S	S	.	.	S	Bend	trans	-73.9	127.9	175.4	-76.8	-173.9	-15.5	0	0	110.8	I458	Q456-I458 VanDerWaalsContact C-N 3.34Å; Q456-I458 PolarHBondContact O-N 2.73Å; Q456-I458 VanDerWaalsContact O-N 3.11Å
457	G	42.8	Very low	58.3	Low	73 Å²	73	77 Å²	77	75%	0.753	38%	0.383	S	S	*	.	S	Bend	trans	77.4	-12	161.1	0	0	0	0	0	118.8
458	I	38.2	Very low	57.2	Low	39 Å²	39	78 Å²	78	20%	0.2	39%	0.388	C	S	.	.	S	Bend	trans	-83.8	-40.2	-176.7	-57.6	-177.5	0	0	0	112.6	L430 V455 Q456	L430-I458 HydrophobicContact CB-CD1 4.46Å; L430-I458 HydrophobicContact CD1-CD1 3.66Å; L430-I458 HydrophobicContact CD1-CG1 4.17Å; V455-I458 HydrophobicContact CG1-CB 4.22Å; V455-I458 HydrophobicContact CG1-CD1 3.72Å; V455-I458 HydrophobicContact CG1-CG1 3.93Å; Q456-I458 VanDerWaalsContact C-N 3.34Å; Q456-I458 PolarHBondContact O-N 2.73Å; Q456-I458 VanDerWaalsContact O-N 3.11Å
459	F	38.8	Very low	55.9	Low	43 Å²	43	80.5 Å²	80.5	19%	0.189	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-106.2	2.2	-162.3	-72.6	-89.6	0	0	0	116.5	R461 H462 L467 I471	F459-R461 PolarHBondContact O-N 2.86Å; F459-H462 HydrophobicContact CB-CB 4.34Å; F459-H462 HydrophobicContact CD1-CB 3.4Å; F459-H462 VanDerWaalsContact CD1-CB 3.4Å; F459-H462 AromaticContact CD1-CD2 3.69Å; F459-H462 AromaticContact CD1-CG 3.79Å; F459-H462 HydrophobicContact CE1-CB 4.1Å; F459-H462 AromaticContact CE1-CD2 3.77Å; F459-H462 HydrophobicContact CG-CB 4.29Å; F459-H462 PolarHBondContact O-N 3.42Å; F459-L467 HydrophobicContact CE1-CD1 4.4Å; F459-I471 HydrophobicContact CD1-CD1 4.42Å; F459-I471 HydrophobicContact CD2-CD1 4.29Å; F459-I471 HydrophobicContact CD2-CG2 4.31Å; F459-I471 HydrophobicContact CE1-CD1 4.18Å; F459-I471 HydrophobicContact CE2-CD1 3.97Å; F459-I471 HydrophobicContact CZ-CD1 3.95Å
460	E	40.4	Very low	54.5	Low	160 Å²	160	81.1 Å²	81.1	75%	0.748	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-53.7	-25.4	163.8	-79.8	-169.6	150.3	0	0	111.6
461	R	40.4	Very low	53.3	Low	211 Å²	211	81.7 Å²	81.7	80%	0.796	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-80.4	-12	175	-67.8	-174.3	177.6	-176.2	0.8	115.4	F459	F459-R461 PolarHBondContact O-N 2.86Å
462	H	37.7	Very low	51.7	Low	42 Å²	42	81.8 Å²	81.8	19%	0.194	40%	0.396	C	S	.	.			trans	-121	24	-166.9	-81.8	-67.4	0	0	0	113.9	I432 F459 S464 S465	I432-H462 WeakPolarHBondContact CG2-NE2 3.44Å; F459-H462 HydrophobicContact CB-CB 4.34Å; F459-H462 HydrophobicContact CD1-CB 3.4Å; F459-H462 VanDerWaalsContact CD1-CB 3.4Å; F459-H462 AromaticContact CD1-CD2 3.69Å; F459-H462 AromaticContact CD1-CG 3.79Å; F459-H462 HydrophobicContact CE1-CB 4.1Å; F459-H462 AromaticContact CE1-CD2 3.77Å; F459-H462 HydrophobicContact CG-CB 4.29Å; F459-H462 PolarHBondContact O-N 3.42Å; H462-S464 PolarHBondContact O-N 2.71Å; H462-S465 PolarHBondContact O-N 3.13Å
463	K	42.4	Very low	50.1	Low	176 Å²	176	80.8 Å²	80.8	77%	0.765	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-26	174.1	-73.4	-171.4	175.3	-174.1	0	113.2
464	S	42.6	Very low	48.3	Very low	127 Å²	127	83.3 Å²	83.3	89%	0.888	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.3	179.9	-43.1	0	0	0	0	116	H462	H462-S464 PolarHBondContact O-N 2.71Å
465	S	51.5	Low	46.5	Very low	33 Å²	33	84.6 Å²	84.6	23%	0.231	43%	0.433	C	S	.	.	S	Bend	trans	-84.3	146.1	-177.9	175	0	0	0	0	111.8	H462 L467 S468	H462-S465 PolarHBondContact O-N 3.13Å; S465-L467 PolarHBondContact O-N 3.11Å; S465-L467 WeakPolarHBondContact OG-CB 3.22Å; S465-L467 WeakPolarHBondContact OG-CG 3.37Å; S465-L467 PolarHBondContact OG-N 3.44Å; S465-S468 PolarHBondContact O-N 3.25Å; S465-S468 PolarHBondContact O-OG 2.86Å
466	R	49.1	Very low	45.1	Very low	172 Å²	172	87 Å²	87	65%	0.649	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-52.1	-23	170.6	-72	-176.7	177.3	178	0	112.8	F440	F440-R466 HydrophobicContact CD2-CB 4.33Å; F440-R466 HydrophobicContact CE2-CB 4.02Å
467	L	48.4	Very low	44.1	Very low	10 Å²	10	89 Å²	89	5%	0.052	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-70.7	-23.6	179.4	-65.2	167.8	0	0	0	114.5	A435 L443 F459 S465 R469 F470 I471	A435-L467 HydrophobicContact CB-CD1 3.65Å; A435-L467 HydrophobicContact CB-CD2 3.42Å; A435-L467 VanDerWaalsContact CB-CD2 3.42Å; A435-L467 HydrophobicContact CB-CG 3.84Å; L443-L467 HydrophobicContact CD1-CD2 3.15Å; F459-L467 HydrophobicContact CE1-CD1 4.4Å; S465-L467 PolarHBondContact O-N 3.11Å; S465-L467 WeakPolarHBondContact OG-CB 3.22Å; S465-L467 WeakPolarHBondContact OG-CG 3.37Å; S465-L467 PolarHBondContact OG-N 3.44Å; L467-R469 PolarHBondContact O-N 2.8Å; L467-F470 PolarHBondContact O-N 2.93Å; L467-I471 HydrophobicContact CB-CD1 4.35Å; L467-I471 PolarHBondContact O-N 3.38Å
468	S	54.2	Low	43.7	Very low	55 Å²	55	92.2 Å²	92.2	39%	0.385	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-60	-23.3	-177.3	62.9	0	0	0	0	112.9	S465 F470	S465-S468 PolarHBondContact O-N 3.25Å; S465-S468 PolarHBondContact O-OG 2.86Å; S468-F470 VanDerWaalsContact C-N 3.3Å; S468-F470 PolarHBondContact O-N 2.83Å
469	R	49.6	Very low	43.4	Very low	187 Å²	187	99.1 Å²	99.1	71%	0.706	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-66.4	-28.6	174.3	-66.3	-171.3	-176.5	122.6	-1.6	113.7	L467	L467-R469 PolarHBondContact O-N 2.8Å
470	F	48.3	Very low	43	Very low	30 Å²	30	103.9 Å²	103.9	13%	0.132	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-6.9	-174.8	-59	-59.7	0	0	0	113.5	F440 L443 R444 A447 K452 Y453 L467 S468	F440-F470 HydrophobicContact CD2-CE2 4.02Å; F440-F470 HydrophobicContact CE2-CD2 4.42Å; F440-F470 AromaticContact CE2-CE2 3.57Å; F440-F470 HydrophobicContact CE2-CE2 3.57Å; F440-F470 HydrophobicContact CE2-CZ 4.44Å; F440-F470 AromaticContact CZ-CE2 3.92Å; F440-F470 HydrophobicContact CZ-CE2 3.92Å; F440-F470 HydrophobicContact CZ-CZ 4.37Å; L443-F470 HydrophobicContact CB-CB 4.05Å; L443-F470 HydrophobicContact CB-CD2 3.73Å; L443-F470 HydrophobicContact CB-CE2 4.29Å; L443-F470 HydrophobicContact CB-CG 3.9Å; L443-F470 HydrophobicContact CD1-CB 4.46Å; L443-F470 HydrophobicContact CD1-CD2 4.45Å; L443-F470 HydrophobicContact CD2-CB 4.35Å; R444-F470 HydrophobicContact CB-CZ 4.05Å; R444-F470 HydrophobicContact CG-CZ 4.28Å; A447-F470 HydrophobicContact CB-CD1 3.37Å; A447-F470 HydrophobicContact CB-CE1 3.46Å; A447-F470 VanDerWaalsContact CB-CE1 3.46Å; K452-F470 WeakPolarHBondContact CG-O 3.28Å; Y453-F470 PolarHBondContact N-O 2.98Å; L467-F470 PolarHBondContact O-N 2.93Å; S468-F470 VanDerWaalsContact C-N 3.3Å; S468-F470 PolarHBondContact O-N 2.83Å
471	I	51.2	Low	42.5	Very low	26 Å²	26	103 Å²	103	13%	0.133	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117	-176.8	-57	174.4	0	0	0	108.3	Y453 V455 F459 L467	Y453-I471 CarbonylContact O-C 3.59Å; Y453-I471 VanDerWaalsContact O-CA 3.26Å; Y453-I471 WeakPolarHBondContact O-CA 3.43Å; V455-I471 HydrophobicContact CG2-CG2 4.48Å; F459-I471 HydrophobicContact CD1-CD1 4.42Å; F459-I471 HydrophobicContact CD2-CD1 4.29Å; F459-I471 HydrophobicContact CD2-CG2 4.31Å; F459-I471 HydrophobicContact CE1-CD1 4.18Å; F459-I471 HydrophobicContact CE2-CD1 3.97Å; F459-I471 HydrophobicContact CZ-CD1 3.95Å; L467-I471 HydrophobicContact CB-CD1 4.35Å; L467-I471 PolarHBondContact O-N 3.38Å
472	G	49.6	Very low	41.7	Very low	7 Å²	7	100.6 Å²	100.6	7%	0.072	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	143	176.1	0	0	0	0	0	110.4	K452 Y453	K452-G472 VanDerWaalsContact CE-N 3.31Å; Y453-G472 PolarHBondContact O-N 2.9Å
473	S	45.8	Very low	41.1	Very low	65 Å²	65	103.3 Å²	103.3	46%	0.455	53%	0.529	S	S	.	.			trans	-67.3	147.5	163.8	84.9	0	0	0	0	108.9	D475 S476	S473-D475 PolarHBondContact O-N 3.01Å; S473-S476 WeakPolarHBondContact OG-CB 3.08Å; S473-S476 PolarHBondContact OG-N 3.34Å; S473-S476 PolarHBondContact OG-OG 3.22Å
474	S	45.7	Very low	40.2	Very low	63 Å²	63	98.5 Å²	98.5	44%	0.441	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.8	176	52.1	0	0	0	0	112.8
475	D	37.9	Very low	39.3	Very low	131 Å²	131	102.7 Å²	102.7	70%	0.701	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	-1.5	-164.1	-60.3	2.6	0	0	0	113.1	S473 E477	S473-D475 PolarHBondContact O-N 3.01Å; D475-E477 PolarHBondContact O-N 2.97Å
476	S	34.9	Very low	38	Very low	63 Å²	63	110.3 Å²	110.3	44%	0.441	56%	0.559	S	S	.	*			trans	-93.9	81.6	174.2	60.5	0	0	0	0	109.5	S473	S473-S476 WeakPolarHBondContact OG-CB 3.08Å; S473-S476 PolarHBondContact OG-N 3.34Å; S473-S476 PolarHBondContact OG-OG 3.22Å
477	E	36.2	Very low	36.7	Very low	157 Å²	157	106.9 Å²	106.9	73%	0.734	56%	0.561	S	S	*	*			trans	-62.2	133.3	140.2	-66	-177.9	174.4	0	0	105.7	D475	D475-E477 PolarHBondContact O-N 2.97Å
478	D	33.7	Very low	35.6	Very low	140 Å²	140	114.1 Å²	114.1	75%	0.749	60%	0.6	S	S	*	*			trans	73.4	85	176	-44.9	-32.6	0	0	0	116.7
479	E	32.3	Very low	34.2	Very low	183 Å²	183	120.6 Å²	120.6	86%	0.855	62%	0.624	S	S	*	*			trans	-133	111.7	130.7	-82.7	-152.5	179.3	0	0	108.7	F481	E479-F481 PolarHBondContact O-N 2.82Å
480	D	31.6	Very low	33	Very low	143 Å²	143	116.7 Å²	116.7	77%	0.765	63%	0.626	S	S	*	*			trans	-46.7	126.5	174.5	-68.6	-49.5	0	0	0	110.9	I482	D480-I482 PolarHBondContact O-N 3Å
481	F	29.2	Very low	31.9	Very low	142 Å²	142	121.1 Å²	121.1	62%	0.623	66%	0.66	S	S	*	*			trans	-61.4	89	163.7	-111.1	-98.6	0	0	0	107.7	E479 I483	E479-F481 PolarHBondContact O-N 2.82Å; F481-I483 HydrophobicContact CD1-CD1 3.76Å; F481-I483 HydrophobicContact CD1-CG1 4.03Å; F481-I483 HydrophobicContact CE1-CD1 3.96Å; F481-I483 PolarHBondContact O-N 2.76Å
482	I	23.4	Very low	30.7	Very low	160 Å²	160	126.8 Å²	126.8	82%	0.821	69%	0.689	S	S	*	*			trans	-72.1	79.4	163.1	-56.4	174	0	0	0	106.7	D480	D480-I482 PolarHBondContact O-N 3Å
483	I	25.2	Very low	29.5	Very low	100 Å²	100	135 Å²	135	51%	0.513	72%	0.723	S	S	.	*	S	Bend	trans	-110	108.5	147.5	-58.1	177.4	0	0	0	102.8	F481 Y485	F481-I483 HydrophobicContact CD1-CD1 3.76Å; F481-I483 HydrophobicContact CD1-CG1 4.03Å; F481-I483 HydrophobicContact CE1-CD1 3.96Å; F481-I483 PolarHBondContact O-N 2.76Å; I483-Y485 WeakPolarHBondContact O-CD2 3.48Å; I483-Y485 PolarHBondContact O-N 3.26Å
484	G	22.8	Very low	28.4	Very low	74 Å²	74	137.2 Å²	137.2	76%	0.763	74%	0.736	S	S	*	*			trans	-48.8	113.4	-169.7	0	0	0	0	0	111.7
485	Y	23.6	Very low	27.4	Very low	215 Å²	215	143.7 Å²	143.7	84%	0.843	76%	0.757	S	S	*	*			trans	-118.2	117.1	163.5	-90.2	-84.2	0	0	0	106.5	I483 S487	I483-Y485 WeakPolarHBondContact O-CD2 3.48Å; I483-Y485 PolarHBondContact O-N 3.26Å; Y485-S487 PolarHBondContact O-N 3.39Å
486	E	24.4	Very low	26.7	Very low	194 Å²	194	143.2 Å²	143.2	91%	0.907	75%	0.754	S	S	*	*			trans	-57.9	129.3	157.9	-79.2	176.8	156.5	0	0	107.3	D488	E486-D488 PolarHBondContact O-N 2.83Å
487	S	23.6	Very low	26.2	Very low	100 Å²	100	151.6 Å²	151.6	70%	0.699	78%	0.776	S	S	*	*			trans	-68.8	108.4	-171.8	49.6	0	0	0	0	111.3	Y485	Y485-S487 PolarHBondContact O-N 3.39Å
488	D	23.7	Very low	25.7	Very low	162 Å²	162	153.2 Å²	153.2	87%	0.866	78%	0.777	S	S	*	*			trans	-106.4	100.3	154.5	-85.1	-29.5	0	0	0	109.2	E486 S490	E486-D488 PolarHBondContact O-N 2.83Å; D488-S490 PolarHBondContact O-N 3.3Å
489	E	25.6	Very low	25.3	Very low	190 Å²	190	155 Å²	155	89%	0.888	77%	0.774	S	S	*	*			trans	-68.4	90.2	177.3	-66.5	-176.4	154	0	0	110.6
490	S	24.2	Very low	24.9	Very low	106 Å²	106	151 Å²	151	74%	0.741	77%	0.767	S	S	*	*			trans	-163.8	63.1	157.9	55.1	0	0	0	0	113.1	D488	D488-S490 PolarHBondContact O-N 3.3Å
491	S	26.1	Very low	24.7	Very low	122 Å²	122	149.6 Å²	149.6	85%	0.853	77%	0.768	S	S	*	*			trans	-107.6	98.1	162.2	51.9	0	0	0	0	110.5	F493	S491-F493 PolarHBondContact O-N 2.97Å; S491-F493 VanDerWaalsContact O-N 3.12Å
492	I	25.7	Very low	24.5	Very low	145 Å²	145	149.9 Å²	149.9	74%	0.744	78%	0.775	S	S	*	*			trans	-59.4	100.6	164.8	-66.7	154	0	0	0	107.5
493	F	22.7	Very low	24.5	Very low	179 Å²	179	149.9 Å²	149.9	79%	0.785	78%	0.776	S	S	*	*			trans	-174.6	105.2	146.3	-80.8	-58.2	0	0	0	109.4	S491 F495	S491-F493 PolarHBondContact O-N 2.97Å; S491-F493 VanDerWaalsContact O-N 3.12Å; F493-F495 PolarHBondContact O-N 3.13Å; F493-F495 VanDerWaalsContact O-N 3.15Å
494	P	23	Very low	24.6	Very low	112 Å²	112	148.2 Å²	148.2	73%	0.727	78%	0.784	S	S	*	*			trans	-83.9	88.8	173.4	33.3	-28	0	0	0	108.7	D496	P494-D496 VanDerWaalsContact C-N 3.33Å; P494-D496 PolarHBondContact O-N 3.44Å
495	F	24.7	Very low	24.7	Very low	199 Å²	199	151.8 Å²	151.8	87%	0.873	78%	0.784	S	S	*	*			trans	-92.6	80.7	154.2	-88.6	-81	0	0	0	107.4	F493 R497	F493-F495 PolarHBondContact O-N 3.13Å; F493-F495 VanDerWaalsContact O-N 3.15Å; F495-R497 PolarHBondContact O-N 2.93Å
496	D	23.8	Very low	24.8	Very low	121 Å²	121	152.1 Å²	152.1	65%	0.647	79%	0.785	S	S	*	*			trans	-59.5	116.7	176.9	-96	-32.8	0	0	0	111.2	P494 Y498	P494-D496 VanDerWaalsContact C-N 3.33Å; P494-D496 PolarHBondContact O-N 3.44Å; D496-Y498 HydrophobicContact CB-CD2 4.31Å; D496-Y498 PolarHBondContact O-N 2.94Å
497	R	25.3	Very low	24.9	Very low	239 Å²	239	151.2 Å²	151.2	90%	0.902	78%	0.779	S	S	*	*				13.2	41.2	128.3	-72.5	-174.3	177.2	-177.4	-0.6	120.3	F495	F495-R497 PolarHBondContact O-N 2.93Å
498	Y	24.1	Very low	25.1	Very low	191 Å²	191	153.1 Å²	153.1	75%	0.749	78%	0.781	S	S	*	*			trans	-112.3	59.1	170.9	-88.7	-83.3	0	0	0	112.4	D496	D496-Y498 HydrophobicContact CB-CD2 4.31Å; D496-Y498 PolarHBondContact O-N 2.94Å
499	Y	26.5	Very low	25.2	Very low	178 Å²	178	152.8 Å²	152.8	70%	0.698	77%	0.774	S	S	*	*			trans	-140.4	63.6	160.4	-68.8	-76.1	0	0	0	109.1	S501	Y499-S501 PolarHBondContact O-N 3.45Å
500	S	23.5	Very low	25.3	Very low	100 Å²	100	154 Å²	154	70%	0.699	77%	0.772	S	S	*	*			trans	-69	123.3	164.7	50.4	0	0	0	0	108.9	I502	S500-I502 PolarHBondContact O-N 3.48Å; S500-I502 VanDerWaalsContact O-N 3.15Å
501	S	26.7	Very low	25.7	Very low	113 Å²	113	159.5 Å²	159.5	79%	0.79	78%	0.778	S	S	*	*			trans	-56.7	109	173.7	48.2	0	0	0	0	110.4	Y499	Y499-S501 PolarHBondContact O-N 3.45Å
502	I	25.2	Very low	25.8	Very low	148 Å²	148	160.1 Å²	160.1	76%	0.759	77%	0.768	S	S	*	*			trans	-126.9	114	165.9	-64	179.2	0	0	0	108	S500 G504	S500-I502 PolarHBondContact O-N 3.48Å; S500-I502 VanDerWaalsContact O-N 3.15Å; I502-G504 PolarHBondContact O-N 3.02Å
503	D	24.9	Very low	25.9	Very low	159 Å²	159	160.5 Å²	160.5	85%	0.85	77%	0.771	S	S	*	*			trans	-43.7	129.3	175.4	-74.5	-49.7	0	0	0	112.9
504	G	25.8	Very low	26.3	Very low	66 Å²	66	161.2 Å²	161.2	68%	0.68	78%	0.779	S	S	*	*	S	Bend	trans	71.5	119.8	144.7	0	0	0	0	0	117.3	I502	I502-G504 PolarHBondContact O-N 3.02Å
505	I	25.1	Very low	26.6	Very low	148 Å²	148	163.3 Å²	163.3	76%	0.759	79%	0.785	S	S	*	*			trans	79.7	79.7	157.3	-43	168.8	0	0	0	113.5	F507	I505-F507 HydrophobicContact CG2-CD2 3.92Å; I505-F507 HydrophobicContact CG2-CE2 3.94Å; I505-F507 PolarHBondContact O-N 2.84Å; I505-F507 VanDerWaalsContact O-N 3.14Å
506	Y	26	Very low	26.9	Very low	222 Å²	222	159.5 Å²	159.5	87%	0.871	78%	0.783	S	S	*	*			trans	-63.3	108.4	163.7	-84.4	-89.7	0	0	0	110.6
507	F	25.7	Very low	27.2	Very low	175 Å²	175	160.3 Å²	160.3	77%	0.768	79%	0.787	S	S	*	*			trans	-95.6	119.2	151.1	-90.1	-87.3	0	0	0	108.1	I505 E509	I505-F507 HydrophobicContact CG2-CD2 3.92Å; I505-F507 HydrophobicContact CG2-CE2 3.94Å; I505-F507 PolarHBondContact O-N 2.84Å; I505-F507 VanDerWaalsContact O-N 3.14Å; F507-E509 VanDerWaalsContact C-N 3.27Å; F507-E509 PolarHBondContact O-N 3.14Å
508	D	28.4	Very low	27.4	Very low	141 Å²	141	158.4 Å²	158.4	75%	0.754	79%	0.785	S	S	*	*			trans	-68.3	78	173.1	-86.3	-32.2	0	0	0	109.9
509	E	26.6	Very low	27.5	Very low	155 Å²	155	158.4 Å²	158.4	72%	0.724	79%	0.786	S	S	*	*			trans	-132.2	100.7	161.2	-73.9	-174.2	179.4	0	0	106.5	F507	F507-E509 VanDerWaalsContact C-N 3.27Å; F507-E509 PolarHBondContact O-N 3.14Å
510	Y	27.8	Very low	27.5	Very low	214 Å²	214	154.1 Å²	154.1	84%	0.839	78%	0.78	S	S	*	*			trans	164.1	71.6	152.2	-82.4	-58.4	0	0	0	109.2
511	Y	32.4	Very low	27.8	Very low	222 Å²	222	154.6 Å²	154.6	87%	0.871	78%	0.78	S	S	*	*			trans	-158.9	77.2	154.5	-78	-66.1	0	0	0	106.4
512	E	27.3	Very low	28	Very low	135 Å²	135	152.7 Å²	152.7	63%	0.631	77%	0.767	S	S	*	*			trans	-96.6	144.1	165.1	-54.3	-148.7	129.1	0	0	107.1	R300	R300-E512 IonicContact CZ-OE1 2.85Å; R300-E512 IonicContact NH1-OE1 2.66Å; R300-E512 PolarHBondContact NH1-OE1 2.98Å; R300-E512 IonicContact NH2-OE1 3.53Å; R300-E512 PolarHBondContact NH2-OE1 2.82Å
513	D	28.9	Very low	28.4	Very low	154 Å²	154	153.2 Å²	153.2	82%	0.824	77%	0.771	S	S	*	*			trans	82.3	68.7	170.3	-47.3	-24.8	0	0	0	117.6
514	M	30.5	Very low	28.7	Very low	193 Å²	193	151.2 Å²	151.2	95%	0.951	76%	0.76	S	S	*	*			trans	-130.1	101.3	147.3	-78.6	-73.4	-98.9	0	0	107.9
515	D	29.9	Very low	29.2	Very low	157 Å²	157	151.7 Å²	151.7	84%	0.84	75%	0.745	S	S	*	*			trans	-60.3	140	177.7	-88.3	-39.6	0	0	0	111.3	D517	D515-D517 PolarHBondContact O-N 2.68Å
516	S	31	Very low	30	Very low	119 Å²	119	148 Å²	148	83%	0.832	72%	0.724	S	S	*	*			trans	-72.4	84.2	-176.4	56	0	0	0	0	111.8
517	D	30.2	Very low	30	Very low	137 Å²	137	144.5 Å²	144.5	73%	0.733	72%	0.719	S	S	*	*			trans	-78.8	127.9	167	-83	-26.5	0	0	0	111.1	D515 Y519	D515-D517 PolarHBondContact O-N 2.68Å; D517-Y519 PolarHBondContact O-N 3.15Å
518	F	28.5	Very low	30.4	Very low	199 Å²	199	143.4 Å²	143.4	87%	0.873	71%	0.714	S	S	*	*			trans	-68.2	92.5	-172.8	-168	-91.8	0	0	0	111.1
519	Y	26.9	Very low	30.5	Very low	192 Å²	192	142.1 Å²	142.1	75%	0.753	71%	0.708	S	S	*	*			trans	-101.3	119.7	163.6	-77.7	-88	0	0	0	109.4	D517	D517-Y519 PolarHBondContact O-N 3.15Å
520	P	27	Very low	30.9	Very low	88 Å²	88	138.5 Å²	138.5	57%	0.571	70%	0.696	S	S	*	*			trans	-59.1	151.3	165.3	27.4	-31.5	0	0	0	108.7	S522	P520-S522 PolarHBondContact O-N 3.08Å
521	P	29.5	Very low	31.4	Very low	110 Å²	110	136.7 Å²	136.7	71%	0.714	70%	0.695	S	S	*	*			trans	-53.4	114.5	176.7	23.2	-31.7	0	0	0	107.5	D523	P521-D523 PolarHBondContact O-N 2.98Å; P521-D523 VanDerWaalsContact O-N 3.14Å
522	S	30.5	Very low	31.6	Very low	73 Å²	73	130 Å²	130	51%	0.51	68%	0.681	S	S	.	*			trans	-68.6	113.1	178.2	54.1	0	0	0	0	106.8	P520 D524	P520-S522 PolarHBondContact O-N 3.08Å; S522-D524 PolarHBondContact O-N 3.28Å
523	D	33.6	Very low	32	Very low	158 Å²	158	128.4 Å²	128.4	85%	0.845	67%	0.67	S	S	*	*	S	Bend	trans	-58.3	-1.1	161.4	-71.1	-24.2	0	0	0	111.6	P521 E525	P521-D523 PolarHBondContact O-N 2.98Å; P521-D523 VanDerWaalsContact O-N 3.14Å; D523-E525 PolarHBondContact O-N 2.99Å
524	D	32.1	Very low	32.2	Very low	117 Å²	117	127.9 Å²	127.9	63%	0.626	67%	0.665	S	S	*	*			trans	-68.9	39.1	164.7	-53.5	-39.2	0	0	0	111.8	S522 F526	S522-D524 PolarHBondContact O-N 3.28Å; D524-F526 VanDerWaalsContact C-N 3.27Å; D524-F526 PolarHBondContact O-N 3.04Å
525	E	36	Very low	32.4	Very low	76 Å²	76	121.5 Å²	121.5	36%	0.355	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62	91.8	167.1	-74	-172.7	156.4	0	0	108.3	K156 D201 D523	K156-E525 PolarHBondContact NZ-O 2.88Å; D201-E525 VanDerWaalsContact OD2-OE2 3.12Å; D523-E525 PolarHBondContact O-N 2.99Å
526	F	40.9	Very low	32.5	Very low	71 Å²	71	118.6 Å²	118.6	31%	0.311	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	55.9	59.9	177.5	-37.8	-99.3	0	0	0	113.7	L123 K156 D524 F528	L123-F526 HydrophobicContact CD1-CZ 4.44Å; K156-F526 PolarHBondContact NZ-O 2.95Å; K156-F526 VanDerWaalsContact NZ-O 3.15Å; D524-F526 VanDerWaalsContact C-N 3.27Å; D524-F526 PolarHBondContact O-N 3.04Å; F526-F528 HydrophobicContact CB-CD2 4.44Å; F526-F528 PolarHBondContact O-N 3.41Å; F526-F528 VanDerWaalsContact O-N 3.08Å
527	L	27.3	Very low	32.5	Very low	148 Å²	148	117.2 Å²	117.2	78%	0.775	61%	0.611	S	S	*	*			trans	-77.7	63.7	155.1	-150.4	93.8	0	0	0	108.7
528	F	32.2	Very low	32.7	Very low	152 Å²	152	112.5 Å²	112.5	67%	0.667	59%	0.587	S	S	*	*			trans	-78.3	129.4	152.6	-75.8	-78.9	0	0	0	105.1	F526 T530	F526-F528 HydrophobicContact CB-CD2 4.44Å; F526-F528 PolarHBondContact O-N 3.41Å; F526-F528 VanDerWaalsContact O-N 3.08Å; F528-T530 PolarHBondContact O-N 3.38Å
529	D	31.7	Very low	32.8	Very low	115 Å²	115	109.4 Å²	109.4	62%	0.615	57%	0.57	S	S	*	*			trans	-54.9	97.9	167.1	-104	-29.1	0	0	0	106.9	E531 S532 Y533	D529-E531 PolarHBondContact O-N 3.37Å; D529-E531 VanDerWaalsContact O-N 3.1Å; D529-S532 WeakPolarHBondContact CB-OG 3.49Å; D529-S532 PolarHBondContact O-N 3.06Å; D529-S532 PolarHBondContact O-OG 3.5Å; D529-Y533 PolarHBondContact O-N 3.13Å
530	T	35.2	Very low	33.2	Very low	78 Å²	78	104.6 Å²	104.6	48%	0.479	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.6	-21.9	177.6	40.2	0	0	0	0	110.9	F528 S532	F528-T530 PolarHBondContact O-N 3.38Å; T530-S532 VanDerWaalsContact C-N 3.26Å; T530-S532 PolarHBondContact O-N 3.16Å
531	E	38	Very low	33.6	Very low	177 Å²	177	105.2 Å²	105.2	83%	0.827	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-18.2	173.6	-63.5	-165.7	172.9	0	0	113.4	D529	D529-E531 PolarHBondContact O-N 3.37Å; D529-E531 VanDerWaalsContact O-N 3.1Å
532	S	35.9	Very low	34	Very low	82 Å²	82	105.2 Å²	105.2	57%	0.573	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-9.2	179.9	68.5	0	0	0	0	114.5	D529 T530 I534	D529-S532 WeakPolarHBondContact CB-OG 3.49Å; D529-S532 PolarHBondContact O-N 3.06Å; D529-S532 PolarHBondContact O-OG 3.5Å; T530-S532 VanDerWaalsContact C-N 3.26Å; T530-S532 PolarHBondContact O-N 3.16Å; S532-I534 PolarHBondContact O-N 3.03Å
533	Y	35.8	Very low	34.4	Very low	101 Å²	101	109.5 Å²	109.5	40%	0.396	55%	0.548	S	S	.	.			trans	-75.3	95.1	175.2	-175.5	-100.9	0	0	0	110	D529 P535	D529-Y533 PolarHBondContact O-N 3.13Å; Y533-P535 HydrophobicContact CE1-CB 4.19Å; Y533-P535 WeakPolarHBondContact O-CD 3.46Å
534	I	33.8	Very low	34.6	Very low	142 Å²	142	109.9 Å²	109.9	73%	0.728	54%	0.544	S	S	*	.			trans	-82.4	112.1	168.7	-56.4	170.5	0	0	0	106.3	S532	S532-I534 PolarHBondContact O-N 3.03Å
535	P	33.5	Very low	34.6	Very low	60 Å²	60	109 Å²	109	39%	0.39	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-59.1	141.8	174.6	23.6	-31	0	0	0	109.2	Y533 L537	Y533-P535 HydrophobicContact CE1-CB 4.19Å; Y533-P535 WeakPolarHBondContact O-CD 3.46Å; P535-L537 PolarHBondContact O-N 3.45Å
536	P	32.7	Very low	34.5	Very low	95 Å²	95	110.9 Å²	110.9	62%	0.617	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-55.7	131.1	-179.9	20.8	-30.5	0	0	0	110.2	T538	P536-T538 PolarHBondContact O-N 3.3Å
537	L	30.5	Very low	34.7	Very low	90 Å²	90	113 Å²	113	47%	0.471	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-56	127.6	-178.1	-74.3	164.9	0	0	0	110.2	P535 Q541 Q542 L545	P535-L537 PolarHBondContact O-N 3.45Å; L537-Q541 HydrophobicContact CD2-CB 3.91Å; L537-Q542 HydrophobicContact CB-CG 3.84Å; L537-L545 HydrophobicContact CD1-CD1 4.21Å
538	T	35.1	Very low	35.3	Very low	39 Å²	39	113.3 Å²	113.3	24%	0.239	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-68.4	151.5	173.5	62.2	0	0	0	0	109.8	F80 P536 N540 Q541 Q542	F80-T538 HydrophobicContact CE2-CG2 3.69Å; F80-T538 HydrophobicContact CZ-CG2 3.92Å; P536-T538 PolarHBondContact O-N 3.3Å; T538-N540 PolarHBondContact O-N 3.06Å; T538-Q541 WeakPolarHBondContact O-CA 3.24Å; T538-Q541 WeakPolarHBondContact O-CB 3.16Å; T538-Q541 PolarHBondContact O-N 3.5Å; T538-Q541 VanDerWaalsContact OG1-CD 3.23Å; T538-Q541 VanDerWaalsContact OG1-CG 3.31Å; T538-Q541 WeakPolarHBondContact OG1-CG 3.36Å; T538-Q541 PolarHBondContact OG1-OE1 2.78Å; T538-Q542 PolarHBondContact O-N 3.12Å
539	R	31.7	Very low	35.2	Very low	133 Å²	133	113.1 Å²	113.1	50%	0.502	58%	0.576	S	S	.	*	H	α-helix	trans	-57.6	-25	-178.1	-158.7	179.3	-176.2	-176.1	6	113.5	R543	R539-R543 WeakPolarHBondContact O-CG 3.25Å; R539-R543 PolarHBondContact O-N 2.87Å
540	N	34.1	Very low	35.2	Very low	91 Å²	91	115.7 Å²	115.7	49%	0.487	58%	0.584	S	S	.	*	H	α-helix	trans	-75.7	-38.3	172.6	-80.9	-19.9	0	0	0	112.3	T538 Q542 R543 H544	T538-N540 PolarHBondContact O-N 3.06Å; N540-Q542 VanDerWaalsContact C-N 3.33Å; N540-R543 PolarHBondContact O-N 3.06Å; N540-H544 PolarHBondContact O-CD2 2.84Å
541	Q	36.1	Very low	35	Very low	101 Å²	101	120 Å²	120	47%	0.472	60%	0.604	S	S	.	*	H	α-helix	trans	-66.1	-36.9	173.8	-70.7	164.9	-30.1	0	0	111.4	L537 T538 R543 H544	L537-Q541 HydrophobicContact CD2-CB 3.91Å; T538-Q541 WeakPolarHBondContact O-CA 3.24Å; T538-Q541 WeakPolarHBondContact O-CB 3.16Å; T538-Q541 PolarHBondContact O-N 3.5Å; T538-Q541 VanDerWaalsContact OG1-CD 3.23Å; T538-Q541 VanDerWaalsContact OG1-CG 3.31Å; T538-Q541 WeakPolarHBondContact OG1-CG 3.36Å; T538-Q541 PolarHBondContact OG1-OE1 2.78Å; Q541-R543 VanDerWaalsContact C-N 3.28Å; Q541-R543 PolarHBondContact O-N 2.92Å; Q541-H544 PolarHBondContact O-N 3.07Å
542	Q	38.4	Very low	34.5	Very low	111 Å²	111	117 Å²	117	52%	0.519	60%	0.598	S	S	.	*	H	α-helix	trans	-64.4	-28.7	174.8	-69	179.4	-16.6	0	0	113.4	L537 T538 N540 H544	L537-Q542 HydrophobicContact CB-CG 3.84Å; T538-Q542 PolarHBondContact O-N 3.12Å; N540-Q542 VanDerWaalsContact C-N 3.33Å; Q542-H544 VanDerWaalsContact C-N 3.34Å
543	R	37.5	Very low	34.2	Very low	162 Å²	162	117.7 Å²	117.7	61%	0.611	61%	0.608	S	S	*	*	H	α-helix	trans	-73.4	-22.7	179.3	-80.3	175.8	178.5	172.8	3.3	114.4	R539 N540 Q541	R539-R543 WeakPolarHBondContact O-CG 3.25Å; R539-R543 PolarHBondContact O-N 2.87Å; N540-R543 PolarHBondContact O-N 3.06Å; Q541-R543 VanDerWaalsContact C-N 3.28Å; Q541-R543 PolarHBondContact O-N 2.92Å
544	H	37.6	Very low	33.8	Very low	167 Å²	167	120.7 Å²	120.7	77%	0.773	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-2	-179.1	-75.4	-68	0	0	0	113.2	N540 Q541 Q542 N546	N540-H544 PolarHBondContact O-CD2 2.84Å; Q541-H544 PolarHBondContact O-N 3.07Å; Q542-H544 VanDerWaalsContact C-N 3.34Å; H544-N546 PolarHBondContact O-N 2.91Å
545	L	32.2	Very low	33.5	Very low	97 Å²	97	119.1 Å²	119.1	51%	0.508	63%	0.627	S	S	.	*	S	Bend	trans	-79.8	108.9	171.2	-68.9	165.3	0	0	0	108	L537	L537-L545 HydrophobicContact CD1-CD1 4.21Å
546	N	35.5	Very low	33.2	Very low	116 Å²	116	121.5 Å²	121.5	62%	0.62	64%	0.64	S	S	*	*			trans	-62.1	132.6	167.1	-91.7	-22.1	0	0	0	108	H544 D548 E549	H544-N546 PolarHBondContact O-N 2.91Å; N546-D548 PolarHBondContact O-N 2.83Å; N546-E549 PolarHBondContact O-N 3.4Å; N546-E549 VanDerWaalsContact O-N 3.1Å
547	P	44.4	Very low	32.9	Very low	115 Å²	115	124.3 Å²	124.3	75%	0.747	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-15	-176.1	22	-31.5	0	0	0	114.1
548	D	39.8	Very low	32.8	Very low	155 Å²	155	126 Å²	126	83%	0.829	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-2.3	179.8	-60.9	-34.6	0	0	0	114.2	N546 E550	N546-D548 PolarHBondContact O-N 2.83Å; D548-E550 VanDerWaalsContact C-N 3.29Å; D548-E550 PolarHBondContact O-N 2.51Å
549	E	30.2	Very low	32.3	Very low	149 Å²	149	127.8 Å²	127.8	70%	0.696	69%	0.686	S	S	*	*			trans	-94.2	61.1	168.7	-75.7	-174.9	171.4	0	0	110	N546 L551	N546-E549 PolarHBondContact O-N 3.4Å; N546-E549 VanDerWaalsContact O-N 3.1Å; E549-L551 PolarHBondContact O-N 2.87Å; E549-L551 VanDerWaalsContact O-N 3.1Å
550	E	31.6	Very low	32.1	Very low	168 Å²	168	126.5 Å²	126.5	79%	0.785	70%	0.697	S	S	*	*			trans	-60	113.6	151.5	-82.4	-172.4	160.5	0	0	106.7	D548 T552	D548-E550 VanDerWaalsContact C-N 3.29Å; D548-E550 PolarHBondContact O-N 2.51Å; E550-T552 PolarHBondContact O-N 2.99Å
551	L	30.2	Very low	31.7	Very low	170 Å²	170	128.3 Å²	128.3	89%	0.89	71%	0.711	S	S	*	*			trans	-54.4	83.2	168.9	-79.2	150.5	0	0	0	108.6	E549 A553	E549-L551 PolarHBondContact O-N 2.87Å; E549-L551 VanDerWaalsContact O-N 3.1Å; L551-A553 VanDerWaalsContact C-N 3.32Å; L551-A553 PolarHBondContact O-N 2.97Å
552	T	28.5	Very low	31.2	Very low	114 Å²	114	128.3 Å²	128.3	70%	0.699	73%	0.729	S	S	*	*			trans	-57.2	109.8	154.4	53.9	0	0	0	0	103.8	E550 E554	E550-T552 PolarHBondContact O-N 2.99Å; T552-E554 PolarHBondContact O-N 3.1Å
553	A	29.3	Very low	30.6	Very low	96 Å²	96	134.1 Å²	134.1	79%	0.793	75%	0.746	S	S	*	*			trans	-56.8	91.7	169.8	0	0	0	0	0	105.5	L551 S555	L551-A553 VanDerWaalsContact C-N 3.32Å; L551-A553 PolarHBondContact O-N 2.97Å; A553-S555 PolarHBondContact O-N 2.93Å
554	E	26.9	Very low	30	Very low	164 Å²	164	134.2 Å²	134.2	77%	0.766	76%	0.759	S	S	*	*			trans	-53.2	112	173	-83.6	-169.3	154.8	0	0	104.3	T552 V556	T552-E554 PolarHBondContact O-N 3.1Å; E554-V556 PolarHBondContact O-N 3.48Å
555	S	27.2	Very low	29.5	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	76%	0.758	S	S	*	*			trans	-50.8	96.8	170.3	41.9	0	0	0	0	105.9	A553 N557	A553-S555 PolarHBondContact O-N 2.93Å; S555-N557 PolarHBondContact O-N 3.48Å
556	V	28.6	Very low	29.1	Very low	110 Å²	110	136.1 Å²	136.1	67%	0.667	78%	0.777	S	S	*	*			trans	-60.5	92.8	172.4	178.8	0	0	0	0	104.8	E554 N558	E554-V556 PolarHBondContact O-N 3.48Å; V556-N558 HydrophobicContact CG1-CB 4.42Å; V556-N558 VanDerWaalsContact CG1-CG 3.46Å; V556-N558 WeakPolarHBondContact CG1-ND2 3.4Å; V556-N558 WeakPolarHBondContact CG1-OD1 3.43Å; V556-N558 PolarHBondContact O-N 3.44Å
557	N	25.2	Very low	28.6	Very low	155 Å²	155	141.8 Å²	141.8	83%	0.829	79%	0.79	S	S	*	*			trans	-75.3	67.8	179.4	-149.1	1.9	0	0	0	106.1	S555 G559	S555-N557 PolarHBondContact O-N 3.48Å; N557-G559 PolarHBondContact O-N 3.15Å
558	N	28.4	Very low	27.9	Very low	126 Å²	126	142.1 Å²	142.1	67%	0.674	79%	0.792	S	S	*	*			trans	-71	84.3	171.4	-83	-21.9	0	0	0	106.8	V556 S560	V556-N558 HydrophobicContact CG1-CB 4.42Å; V556-N558 VanDerWaalsContact CG1-CG 3.46Å; V556-N558 WeakPolarHBondContact CG1-ND2 3.4Å; V556-N558 WeakPolarHBondContact CG1-OD1 3.43Å; V556-N558 PolarHBondContact O-N 3.44Å; N558-S560 PolarHBondContact O-N 3.03Å
559	G	24.6	Very low	27.3	Very low	75 Å²	75	140.3 Å²	140.3	77%	0.773	79%	0.792	S	S	*	*			trans	-57.4	82.3	163.5	0	0	0	0	0	109.4	N557	N557-G559 PolarHBondContact O-N 3.15Å
560	S	27.5	Very low	27.2	Very low	106 Å²	106	139.3 Å²	139.3	74%	0.741	80%	0.796	S	S	*	*			trans	-100.3	96.7	170	52.1	0	0	0	0	107.2	N558 A562	N558-S560 PolarHBondContact O-N 3.03Å; S560-A562 PolarHBondContact O-N 2.79Å
561	T	26.5	Very low	27	Very low	129 Å²	129	142.9 Å²	142.9	79%	0.791	80%	0.802	S	S	*	*			trans	-45.4	120.1	167.7	26	0	0	0	0	109.6	R563	T561-R563 VanDerWaalsContact C-N 3.33Å; T561-R563 PolarHBondContact O-N 3.37Å
562	A	25.5	Very low	27	Very low	102 Å²	102	140.4 Å²	140.4	84%	0.843	80%	0.796	S	S	*	*			trans	-58.5	90.2	176.4	0	0	0	0	0	110.7	S560	S560-A562 PolarHBondContact O-N 2.79Å
563	R	25.6	Very low	27.3	Very low	232 Å²	232	142.2 Å²	142.2	88%	0.875	80%	0.802	S	S	*	*			trans	-94.9	98.3	161.4	-87.9	-173.7	173.6	-177.6	-0.4	108.6	T561 S565	T561-R563 VanDerWaalsContact C-N 3.33Å; T561-R563 PolarHBondContact O-N 3.37Å; R563-S565 PolarHBondContact O-N 2.75Å
564	N	25.1	Very low	27.5	Very low	165 Å²	165	143.2 Å²	143.2	88%	0.882	80%	0.798	S	S	*	*			trans	-37.4	105.5	161	-82.4	-27	0	0	0	110.8
565	S	26.7	Very low	28.1	Very low	107 Å²	107	146.1 Å²	146.1	75%	0.748	80%	0.802	S	S	*	*			trans	-126.3	101.2	159.5	54.6	0	0	0	0	107.7	R563 R567	R563-S565 PolarHBondContact O-N 2.75Å; S565-R567 PolarHBondContact O-N 3.27Å
566	Q	24.4	Very low	28.7	Very low	197 Å²	197	148.6 Å²	148.6	92%	0.921	80%	0.801	S	S	*	*			trans	-58.1	115.6	173.4	-65.3	175.1	-17.3	0	0	108.6
567	R	24.5	Very low	29.4	Very low	235 Å²	235	147.5 Å²	147.5	89%	0.887	80%	0.795	S	S	*	*			trans	-110.3	131.2	162.9	-94	-175.9	174	-174.1	-0.1	109	S565	S565-R567 PolarHBondContact O-N 3.27Å
568	P	28.8	Very low	30.1	Very low	121 Å²	121	149.9 Å²	149.9	79%	0.786	79%	0.793	S	S	*	*			trans	-79.6	129.6	-167.8	10.7	3.8	0	0	0	111.4	T570	P568-T570 PolarHBondContact O-N 3.36Å
569	S	27.2	Very low	31	Very low	118 Å²	118	146.5 Å²	146.5	83%	0.825	78%	0.779	S	S	*	*			trans	-70.2	104	171.6	56.7	0	0	0	0	111.2
570	T	28.6	Very low	32.2	Very low	128 Å²	128	145.8 Å²	145.8	79%	0.785	77%	0.766	S	S	*	*			trans	-138.6	80.8	160.1	46.8	0	0	0	0	109.4	P568	P568-T570 PolarHBondContact O-N 3.36Å
571	R	27.4	Very low	33.2	Very low	243 Å²	243	145.7 Å²	145.7	92%	0.917	76%	0.756	S	S	*	*			trans	-70.8	123	162.2	-101.4	-178	173.5	179.5	-1.3	107.6	N573	R571-N573 PolarHBondContact O-N 3.36Å
572	P	30.7	Very low	34.2	Very low	117 Å²	117	145.7 Å²	145.7	76%	0.76	75%	0.747	S	S	*	*			trans	-73.9	129.1	178.3	14.2	-6.1	0	0	0	110.3	T574	P572-T574 PolarHBondContact O-N 3.26Å; P572-T574 VanDerWaalsContact O-N 3.09Å
573	N	33.9	Very low	35.6	Very low	153 Å²	153	149.7 Å²	149.7	82%	0.818	74%	0.74	S	S	*	*			trans	-57.3	107.8	178.9	-86.7	-32.7	0	0	0	111.5	R571 R575	R571-N573 PolarHBondContact O-N 3.36Å; N573-R575 PolarHBondContact O-N 3.2Å
574	T	35.3	Very low	36.9	Very low	116 Å²	116	147.3 Å²	147.3	71%	0.712	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	18.2	178.5	44.2	0	0	0	0	114.8	P572 T577	P572-T574 PolarHBondContact O-N 3.26Å; P572-T574 VanDerWaalsContact O-N 3.09Å; T574-T577 PolarHBondContact O-OG1 2.86Å
575	R	38.9	Very low	38.3	Very low	225 Å²	225	143.9 Å²	143.9	85%	0.849	71%	0.713	S	S	*	*	H	α-helix	trans	-84	-21.8	178.2	-101.5	-177.3	171.8	179.9	-1.8	114	N573	N573-R575 PolarHBondContact O-N 3.2Å
576	E	39.6	Very low	39.8	Very low	160 Å²	160	145.1 Å²	145.1	75%	0.748	71%	0.707	S	S	*	*	H	α-helix	trans	-81.4	-25.8	-178.2	-68.8	-168.4	159.9	0	0	113.7	S579 A580	E576-S579 PolarHBondContact O-OG 2.98Å; E576-A580 PolarHBondContact O-N 3Å
577	T	43.7	Very low	41.2	Very low	88 Å²	88	142.1 Å²	142.1	54%	0.54	69%	0.693	S	S	.	*	H	α-helix	trans	-72.7	-34.2	-179.4	50.3	0	0	0	0	112.8	T574 I581	T574-T577 PolarHBondContact O-OG1 2.86Å; T577-I581 WeakPolarHBondContact O-CD1 3.37Å; T577-I581 VanDerWaalsContact O-CG1 3.3Å; T577-I581 WeakPolarHBondContact O-CG1 3.35Å; T577-I581 PolarHBondContact O-N 3.47Å
578	R	38.4	Very low	42.5	Very low	204 Å²	204	134.9 Å²	134.9	77%	0.77	67%	0.671	S	S	*	*	H	α-helix	trans	-69.2	-39.6	178	-77.6	-174.1	177.6	-178.9	-0	112.9	I581 Q582	R578-I581 PolarHBondContact O-N 3.08Å; R578-Q582 PolarHBondContact O-N 3.12Å; R578-Q582 VanDerWaalsContact O-N 3.12Å
579	S	47.6	Very low	43.8	Very low	56 Å²	56	133.7 Å²	133.7	39%	0.392	66%	0.662	S	S	.	*	H	α-helix	trans	-70.2	-34.4	-178.8	69.3	0	0	0	0	112.2	E576 Q582 R583	E576-S579 PolarHBondContact O-OG 2.98Å; S579-Q582 PolarHBondContact O-N 3.46Å; S579-R583 WeakPolarHBondContact O-CG 3.42Å; S579-R583 PolarHBondContact O-N 3.3Å; S579-R583 VanDerWaalsContact O-N 3.08Å
580	A	50.5	Low	44.9	Very low	59 Å²	59	130.6 Å²	130.6	49%	0.488	64%	0.643	S	S	.	*	H	α-helix	trans	-66.1	-42.8	175.6	0	0	0	0	0	112.4	E576 R583 R584	E576-A580 PolarHBondContact O-N 3Å; A580-R583 PolarHBondContact O-N 3.41Å; A580-R584 PolarHBondContact O-N 3.41Å
581	I	49.4	Very low	46	Very low	104 Å²	104	131.3 Å²	131.3	53%	0.533	64%	0.638	S	S	.	*	H	α-helix	trans	-65.1	-41.7	177.7	-66.5	166.3	0	0	0	110.7	T577 R578 R583 R584 N585	T577-I581 WeakPolarHBondContact O-CD1 3.37Å; T577-I581 VanDerWaalsContact O-CG1 3.3Å; T577-I581 WeakPolarHBondContact O-CG1 3.35Å; T577-I581 PolarHBondContact O-N 3.47Å; R578-I581 PolarHBondContact O-N 3.08Å; I581-R583 PolarHBondContact O-N 3.49Å; I581-R584 PolarHBondContact O-N 2.89Å; I581-N585 PolarHBondContact O-N 3.1Å
582	Q	47.5	Very low	47.1	Very low	130 Å²	130	128.7 Å²	128.7	61%	0.607	63%	0.628	S	S	*	*	H	α-helix	trans	-67	-38.9	-179.5	-144.7	170	8.1	0	0	112.1	R578 S579 N585 Q586	R578-Q582 PolarHBondContact O-N 3.12Å; R578-Q582 VanDerWaalsContact O-N 3.12Å; S579-Q582 PolarHBondContact O-N 3.46Å; Q582-N585 PolarHBondContact O-N 3.44Å; Q582-Q586 WeakPolarHBondContact O-CG 3.3Å; Q582-Q586 PolarHBondContact O-N 3.34Å; Q582-Q586 VanDerWaalsContact O-N 3.13Å
583	R	54.8	Low	48	Very low	185 Å²	185	126.7 Å²	126.7	70%	0.698	62%	0.617	S	S	*	*	H	α-helix	trans	-65.3	-39.9	173.5	-75.2	-178.4	-176.8	179.5	2.6	112.4	S579 A580 I581 N585 Q586 Q587	S579-R583 WeakPolarHBondContact O-CG 3.42Å; S579-R583 PolarHBondContact O-N 3.3Å; S579-R583 VanDerWaalsContact O-N 3.08Å; A580-R583 PolarHBondContact O-N 3.41Å; I581-R583 PolarHBondContact O-N 3.49Å; R583-N585 VanDerWaalsContact C-N 3.34Å; R583-N585 PolarHBondContact O-N 3.5Å; R583-Q586 PolarHBondContact O-N 3.14Å; R583-Q587 VanDerWaalsContact O-N 3.16Å; R583-Q587 PolarHBondContact O-N 3.1Å
584	R	52.6	Low	48.9	Very low	182 Å²	182	124.2 Å²	124.2	69%	0.687	61%	0.607	S	S	*	*	H	α-helix	trans	-64.3	-40.4	177.9	-163.7	175.3	-171.4	177.4	0.7	111.5	A580 I581 Q587 I588	A580-R584 PolarHBondContact O-N 3.41Å; I581-R584 PolarHBondContact O-N 2.89Å; R584-Q587 PolarHBondContact O-N 3.1Å; R584-I588 WeakPolarHBondContact O-CG1 3.43Å; R584-I588 PolarHBondContact O-N 3.01Å
585	N	54.7	Low	49.6	Very low	93 Å²	93	128.8 Å²	128.8	50%	0.497	61%	0.611	S	S	.	*	H	α-helix	trans	-65.7	-42.3	176.9	-75	-13.5	0	0	0	112	I581 Q582 R583 Q587 I588 T589	I581-N585 PolarHBondContact O-N 3.1Å; Q582-N585 PolarHBondContact O-N 3.44Å; R583-N585 VanDerWaalsContact C-N 3.34Å; R583-N585 PolarHBondContact O-N 3.5Å; N585-Q587 VanDerWaalsContact C-N 3.32Å; N585-Q587 PolarHBondContact O-N 3.33Å; N585-I588 PolarHBondContact O-N 3.21Å; N585-T589 PolarHBondContact O-OG1 3.03Å; N585-T589 VanDerWaalsContact O-N 3.15Å; N585-T589 PolarHBondContact O-N 3.42Å
586	Q	56.6	Low	49.9	Very low	133 Å²	133	128.9 Å²	128.9	62%	0.621	61%	0.611	S	S	*	*	H	α-helix	trans	-62.2	-36	176.6	-73.3	-179.6	-5.8	0	0	113.1	Q582 R583 T589 A590	Q582-Q586 WeakPolarHBondContact O-CG 3.3Å; Q582-Q586 PolarHBondContact O-N 3.34Å; Q582-Q586 VanDerWaalsContact O-N 3.13Å; R583-Q586 PolarHBondContact O-N 3.14Å; Q586-T589 PolarHBondContact O-N 3.12Å; Q586-A590 WeakPolarHBondContact O-CB 3.03Å; Q586-A590 PolarHBondContact O-N 2.66Å; Q586-A590 VanDerWaalsContact O-N 3.07Å
587	Q	54	Low	50.1	Low	135 Å²	135	125.8 Å²	125.8	63%	0.631	61%	0.607	S	S	*	*	H	α-helix	trans	-65.5	-38.6	175.1	-78.9	-177.2	-16.9	0	0	112.7	R583 R584 N585 A590 Q591	R583-Q587 VanDerWaalsContact O-N 3.16Å; R583-Q587 PolarHBondContact O-N 3.1Å; R584-Q587 PolarHBondContact O-N 3.1Å; N585-Q587 VanDerWaalsContact C-N 3.32Å; N585-Q587 PolarHBondContact O-N 3.33Å; Q587-A590 PolarHBondContact O-N 2.95Å; Q587-Q591 WeakPolarHBondContact O-CG 3.4Å; Q587-Q591 PolarHBondContact O-N 2.67Å
588	I	53.4	Low	49.9	Very low	82 Å²	82	126.2 Å²	126.2	42%	0.421	61%	0.614	S	S	.	*	H	α-helix	trans	-67.6	-40.3	179.1	-65.2	167.6	0	0	0	110.7	R584 N585 Q591 R592	R584-I588 WeakPolarHBondContact O-CG1 3.43Å; R584-I588 PolarHBondContact O-N 3.01Å; N585-I588 PolarHBondContact O-N 3.21Å; I588-Q591 PolarHBondContact O-N 2.93Å; I588-R592 PolarHBondContact O-N 3.09Å
589	T	54.9	Low	49.8	Very low	97 Å²	97	127.3 Å²	127.3	60%	0.595	62%	0.618	S	S	*	*	H	α-helix	trans	-66.9	-39.1	176.5	-7	0	0	0	0	111.9	N585 Q586 R592 S593	N585-T589 PolarHBondContact O-OG1 3.03Å; N585-T589 VanDerWaalsContact O-N 3.15Å; N585-T589 PolarHBondContact O-N 3.42Å; Q586-T589 PolarHBondContact O-N 3.12Å; T589-R592 PolarHBondContact O-N 2.72Å; T589-S593 PolarHBondContact O-N 2.78Å; T589-S593 VanDerWaalsContact O-N 3.16Å
590	A	51.3	Low	49.3	Very low	53 Å²	53	133.8 Å²	133.8	44%	0.438	64%	0.639	S	S	.	*	H	α-helix	trans	-64.5	-39.1	176.1	0	0	0	0	0	112.5	Q586 Q587 R592 S593 V594	Q586-A590 WeakPolarHBondContact O-CB 3.03Å; Q586-A590 PolarHBondContact O-N 2.66Å; Q586-A590 VanDerWaalsContact O-N 3.07Å; Q587-A590 PolarHBondContact O-N 2.95Å; A590-R592 VanDerWaalsContact C-N 3.3Å; A590-R592 PolarHBondContact O-N 2.86Å; A590-S593 PolarHBondContact O-N 2.68Å; A590-S593 PolarHBondContact O-OG 3.27Å; A590-V594 PolarHBondContact O-N 3.22Å; A590-V594 WeakPolarHBondContact O-CG2 3.38Å
591	Q	50.6	Low	48.5	Very low	143 Å²	143	141 Å²	141	67%	0.668	65%	0.654	S	S	*	*	H	α-helix	trans	-66.9	-31.6	176	-74.5	-175.2	-3.7	0	0	112.9	Q587 I588 R595	Q587-Q591 WeakPolarHBondContact O-CG 3.4Å; Q587-Q591 PolarHBondContact O-N 2.67Å; I588-Q591 PolarHBondContact O-N 2.93Å; Q591-R595 PolarHBondContact O-N 3.48Å
592	R	50.1	Low	48	Very low	188 Å²	188	143.3 Å²	143.3	71%	0.709	67%	0.673	S	S	*	*	H	α-helix	trans	-73.9	-32.5	177.1	-76.4	-176.6	173.2	-172.9	-0.6	113.1	I588 T589 A590	I588-R592 PolarHBondContact O-N 3.09Å; T589-R592 PolarHBondContact O-N 2.72Å; A590-R592 VanDerWaalsContact C-N 3.3Å; A590-R592 PolarHBondContact O-N 2.86Å
593	S	51.1	Low	47.6	Very low	75 Å²	75	147.7 Å²	147.7	52%	0.524	68%	0.684	S	S	.	*	H	α-helix	trans	-71.3	-37.8	177.4	64.3	0	0	0	0	112.1	T589 A590 R595 R596	T589-S593 PolarHBondContact O-N 2.78Å; T589-S593 VanDerWaalsContact O-N 3.16Å; A590-S593 PolarHBondContact O-N 2.68Å; A590-S593 PolarHBondContact O-OG 3.27Å; S593-R595 VanDerWaalsContact C-N 3.32Å; S593-R595 PolarHBondContact O-N 3.19Å; S593-R596 PolarHBondContact O-N 2.74Å
594	V	53.2	Low	46.7	Very low	101 Å²	101	142.6 Å²	142.6	61%	0.612	69%	0.689	S	S	*	*	H	α-helix	trans	-64.6	-35	177.2	178.8	0	0	0	0	112	A590 R596 S597	A590-V594 PolarHBondContact O-N 3.22Å; A590-V594 WeakPolarHBondContact O-CG2 3.38Å; V594-R596 VanDerWaalsContact C-N 3.29Å; V594-R596 PolarHBondContact O-N 2.85Å; V594-S597 PolarHBondContact O-OG 3Å
595	R	48.3	Very low	46	Very low	211 Å²	211	146.1 Å²	146.1	80%	0.796	70%	0.702	S	S	*	*	H	α-helix	trans	-71.5	-18.2	177.3	-79.8	-173.4	174.3	179.6	0.1	114.4	Q591 S593	Q591-R595 PolarHBondContact O-N 3.48Å; S593-R595 VanDerWaalsContact C-N 3.32Å; S593-R595 PolarHBondContact O-N 3.19Å
596	R	45	Very low	44.9	Very low	227 Å²	227	146.7 Å²	146.7	86%	0.857	71%	0.714	S	S	*	*	H	α-helix	trans	-88.5	-18	179.1	-78.2	-173.3	173.6	-179.1	-1.3	113.8	S593 V594	S593-R596 PolarHBondContact O-N 2.74Å; V594-R596 VanDerWaalsContact C-N 3.29Å; V594-R596 PolarHBondContact O-N 2.85Å
597	S	44.4	Very low	43.9	Very low	95 Å²	95	151.9 Å²	151.9	66%	0.664	73%	0.728	S	S	*	*	H	α-helix	trans	-84.1	-16.6	-177.7	64.5	0	0	0	0	114.7	V594 R599	V594-S597 PolarHBondContact O-OG 3Å; S597-R599 PolarHBondContact O-N 2.8Å
598	S	40.5	Very low	43.3	Very low	97 Å²	97	156.9 Å²	156.9	68%	0.678	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	6.5	-174.7	60.5	0	0	0	0	116
599	R	35.8	Very low	42.8	Very low	228 Å²	228	160.7 Å²	160.7	86%	0.86	78%	0.776	S	S	*	*			trans	-116.4	64.3	175.5	-81.5	-175.4	172.9	171.2	-1.7	112.2	S597	S597-R599 PolarHBondContact O-N 2.8Å
600	K	36.4	Very low	42.1	Very low	191 Å²	191	164 Å²	164	83%	0.83	79%	0.785	S	S	*	*			trans	-148.9	126.8	164.4	-100.8	179.3	-173.2	175.3	0	111.7
601	R	34.9	Very low	41.6	Very low	212 Å²	212	170.2 Å²	170.2	80%	0.8	81%	0.805	S	S	*	*			trans	90.9	82.3	157.7	-61.1	177.8	169.6	-179.2	-2.1	118.4
602	T	38.9	Very low	41.1	Very low	152 Å²	152	171.8 Å²	171.8	93%	0.933	81%	0.813	S	S	*	*			trans	-113.1	84.6	133.7	44.6	0	0	0	0	107.4
603	R	37.6	Very low	40.5	Very low	221 Å²	221	170.8 Å²	170.8	83%	0.834	82%	0.819	S	S	*	*			trans	-84.3	119.1	171.2	-92.4	-175.4	169.1	177	-4.7	107.7
604	G	36.8	Very low	39.8	Very low	79 Å²	79	177.1 Å²	177.1	81%	0.814	84%	0.839	S	S	*	*			trans	-55.6	134.5	175.1	0	0	0	0	0	112.2
605	R	37.5	Very low	38.9	Very low	255 Å²	255	182.6 Å²	182.6	96%	0.962	86%	0.855	S	S	*	*			trans	-103.3	98.4	160.5	-89.8	-178.3	168.5	174.9	-3.6	107.2
606	S	32.2	Very low	38.1	Very low	106 Å²	106	180.4 Å²	180.4	74%	0.741	86%	0.859	S	S	*	*			trans	-95.7	125.2	155.5	60.2	0	0	0	0	107.6
607	R	34.2	Very low	37.6	Very low	242 Å²	242	176.5 Å²	176.5	91%	0.913	86%	0.86	S	S	*	*			trans	172.8	118.7	145.4	-99.4	171	-175	-168.6	0.7	108.4
608	N	41.8	Very low	37	Very low	240 Å²	240	183.9 Å²	183.9	100%	1.283	88%	0.877	S	S	*	*			trans	41	0	160.9	-63.1	1.2	0	0	0	118.9

Retrieved 608 of 608 residues in 1251.8 ms (Link to these results)

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