A0A3Q2DW69_CYPVA Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A3Q2DW69, Species CYPVA (Cyprinodon variegatus, Sheepshead minnow), Gene n/a, Length 372 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	39.7	Very low	32.3	Very low	244 Å²	244	157.5 Å²	157.5	100%	1.202	83%	0.825	S	S	*	*				0	82.2	0	-170.6	178.9	-169.6	0	0	106.3
2	E	27.7	Very low	32.4	Very low	198 Å²	198	152.3 Å²	152.3	93%	0.925	81%	0.811	S	S	*	*			trans	-169	123.4	159.3	-114.2	169.4	-174.4	0	0	107.7
3	I	32.4	Very low	32.7	Very low	149 Å²	149	155.1 Å²	155.1	76%	0.764	81%	0.813	S	S	*	*			trans	-91.1	114	-171.3	-70.2	162.1	0	0	0	106.2	M5	I3-M5 HydrophobicContact CG2-CG 3.91Å; I3-M5 PolarHBondContact O-N 3.32Å
4	L	30.3	Very low	33.2	Very low	168 Å²	168	150 Å²	150	88%	0.88	80%	0.795	S	S	*	*			trans	-85.2	93.9	167.4	-140.3	92	0	0	0	107.9	T6	L4-T6 PolarHBondContact O-N 3.3Å
5	M	31.3	Very low	33.8	Very low	160 Å²	160	149 Å²	149	79%	0.788	80%	0.797	S	S	*	*			trans	-74.4	106.6	168.6	-89.9	-174.5	168.7	0	0	109.3	I3 V7	I3-M5 HydrophobicContact CG2-CG 3.91Å; I3-M5 PolarHBondContact O-N 3.32Å; M5-V7 PolarHBondContact O-N 3.21Å
6	T	32.2	Very low	34.9	Very low	129 Å²	129	143.9 Å²	143.9	79%	0.791	77%	0.768	S	S	*	*			trans	-71.7	101.6	165.5	-22.3	0	0	0	0	108.3	L4 S8	L4-T6 PolarHBondContact O-N 3.3Å; T6-S8 PolarHBondContact O-N 3.43Å
7	V	34.1	Very low	35.8	Very low	123 Å²	123	138.5 Å²	138.5	75%	0.745	76%	0.755	S	S	*	*			trans	-89.1	99.3	169.5	-177.6	0	0	0	0	108.2	M5 K9	M5-V7 PolarHBondContact O-N 3.21Å; V7-K9 PolarHBondContact O-N 3.14Å; V7-K9 VanDerWaalsContact O-N 3.12Å
8	S	29.8	Very low	36.9	Very low	94 Å²	94	136.2 Å²	136.2	66%	0.657	76%	0.758	S	S	*	*			trans	-61.2	103.2	167.5	-1	0	0	0	0	109.5	T6 F10	T6-S8 PolarHBondContact O-N 3.43Å; S8-F10 PolarHBondContact O-N 3.12Å; S8-F10 VanDerWaalsContact O-N 3.14Å
9	K	31.7	Very low	38.7	Very low	199 Å²	199	137.8 Å²	137.8	87%	0.865	77%	0.765	S	S	*	*			trans	-71.9	99.4	162.9	-83.6	-177.8	175.3	179.8	0	108.2	V7 A11	V7-K9 PolarHBondContact O-N 3.14Å; V7-K9 VanDerWaalsContact O-N 3.12Å; K9-A11 PolarHBondContact O-N 3.1Å; K9-A11 VanDerWaalsContact O-N 3.1Å
10	F	31.7	Very low	40.8	Very low	196 Å²	196	131.9 Å²	131.9	86%	0.86	73%	0.734	S	S	*	*			trans	-63.7	104.2	159.6	-96.5	-94.5	0	0	0	107.9	S8 S12	S8-F10 PolarHBondContact O-N 3.12Å; S8-F10 VanDerWaalsContact O-N 3.14Å; F10-S12 PolarHBondContact O-N 3.03Å
11	A	34.4	Very low	43.1	Very low	72 Å²	72	127.2 Å²	127.2	60%	0.595	71%	0.711	S	S	*	*			trans	-69.3	106.3	163.2	0	0	0	0	0	107.4	K9 F13	K9-A11 PolarHBondContact O-N 3.1Å; K9-A11 VanDerWaalsContact O-N 3.1Å; A11-F13 VanDerWaalsContact C-N 3.35Å; A11-F13 HydrophobicContact CB-CD2 4.37Å; A11-F13 HydrophobicContact CB-CE2 4.26Å; A11-F13 PolarHBondContact O-N 3.37Å
12	S	32.9	Very low	45.6	Very low	95 Å²	95	119.5 Å²	119.5	66%	0.664	69%	0.685	S	S	*	*			trans	-68.1	97.4	165.5	-173.1	0	0	0	0	107.4	F10 C14	F10-S12 PolarHBondContact O-N 3.03Å; S12-C14 PolarHBondContact O-N 3.02Å
13	F	37.2	Very low	48.7	Very low	189 Å²	189	110.4 Å²	110.4	83%	0.829	64%	0.643	S	S	*	*			trans	-68	87.3	167.3	-84.8	-91.2	0	0	0	108.1	A11 T15	A11-F13 VanDerWaalsContact C-N 3.35Å; A11-F13 HydrophobicContact CB-CD2 4.37Å; A11-F13 HydrophobicContact CB-CE2 4.26Å; A11-F13 PolarHBondContact O-N 3.37Å; F13-T15 PolarHBondContact O-N 2.8Å
14	C	39.6	Very low	51.6	Low	84 Å²	84	105.3 Å²	105.3	57%	0.568	62%	0.616	S	S	*	*			trans	-65.7	101.2	160.8	-112.2	0	0	0	0	107	S12 M16	S12-C14 PolarHBondContact O-N 3.02Å; C14-M16 PolarHBondContact O-N 3.15Å
15	T	41.7	Very low	54.6	Low	135 Å²	135	102.9 Å²	102.9	83%	0.828	60%	0.599	S	S	*	*			trans	-59.8	97.3	174.7	42.6	0	0	0	0	109.2	F13 G17	F13-T15 PolarHBondContact O-N 2.8Å; T15-G17 PolarHBondContact O-N 3.19Å
16	M	52.1	Low	57.5	Low	67 Å²	67	100.4 Å²	100.4	33%	0.33	59%	0.585	S	S	.	*			trans	-59	122.7	163.7	-79.7	-167.7	52.1	0	0	108.5	C14 A20 E24 K25	C14-M16 PolarHBondContact O-N 3.15Å; M16-A20 HydrophobicContact CE-CB 3.2Å; M16-E24 HydrophobicContact CE-CB 4.16Å; M16-K25 HydrophobicContact CE-CB 4.03Å; M16-K25 HydrophobicContact CE-CG 3.36Å; M16-K25 HydrophobicContact SD-CB 4.47Å; M16-K25 HydrophobicContact SD-CG 4.2Å
17	G	49	Very low	60.4	Low	52 Å²	52	94.5 Å²	94.5	54%	0.536	55%	0.549	S	S	.	.			trans	-55.9	144.6	178.4	0	0	0	0	0	111.1	T15 N19 A20	T15-G17 PolarHBondContact O-N 3.19Å; G17-N19 PolarHBondContact O-N 2.89Å; G17-A20 PolarHBondContact O-N 2.88Å; G17-A20 VanDerWaalsContact O-N 3.15Å
18	A	57.3	Low	63	Low	98 Å²	98	89.6 Å²	89.6	81%	0.81	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-10	-176	0	0	0	0	0	115.4
19	N	70.9	Confident	65.6	Low	166 Å²	166	88.1 Å²	88.1	89%	0.888	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	4.5	-176.7	-65	-21.6	0	0	0	115.1	G17	G17-N19 PolarHBondContact O-N 2.89Å
20	A	80.2	Confident	68.1	Low	19 Å²	19	86.8 Å²	86.8	16%	0.157	51%	0.509	C	S	.	.			trans	-73.1	140.7	178.6	0	0	0	0	0	112.6	M16 G17 E24 K25	M16-A20 HydrophobicContact CE-CB 3.2Å; G17-A20 PolarHBondContact O-N 2.88Å; G17-A20 VanDerWaalsContact O-N 3.15Å; A20-E24 HydrophobicContact CB-CB 4.12Å; A20-K25 HydrophobicContact CB-CG 4.33Å; A20-K25 WeakPolarHBondContact O-CE 3.43Å; A20-K25 PolarHBondContact O-NZ 2.94Å
21	S	89.9	Confident	70.8	Confident	35 Å²	35	83.1 Å²	83.1	25%	0.245	50%	0.495	C	S	.	.			trans	-63.6	164.6	175.5	65.3	0	0	0	0	112.5	L23 E24 K25 V98	S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 2.92Å; S21-E24 VanDerWaalsContact CB-OE1 3.28Å; S21-E24 WeakPolarHBondContact CB-OE1 3.19Å; S21-E24 PolarHBondContact N-OE1 3.24Å; S21-E24 PolarHBondContact O-N 3.28Å; S21-E24 VanDerWaalsContact OG-CG 3.26Å; S21-E24 WeakPolarHBondContact OG-CG 3.39Å; S21-E24 PolarHBondContact OG-N 3.38Å; S21-E24 PolarHBondContact OG-OE1 3.11Å; S21-K25 WeakPolarHBondContact O-CG 3.28Å; S21-K25 PolarHBondContact O-N 3.45Å; S21-K25 VanDerWaalsContact O-N 3.08Å; S21-V98 WeakPolarHBondContact OG-CB 3.5Å
22	A	91.1	Very high	73.6	Confident	81 Å²	81	80.3 Å²	80.3	67%	0.669	47%	0.47	S	S	*	.	H	α-helix	trans	-58.3	-44.9	176.4	0	0	0	0	0	111.7	E24 K25 E26	A22-E24 PolarHBondContact O-N 3.08Å; A22-K25 WeakPolarHBondContact O-CB 3.4Å; A22-K25 PolarHBondContact O-N 3.32Å; A22-K25 VanDerWaalsContact O-N 3.11Å; A22-E26 WeakPolarHBondContact O-CB 3.32Å; A22-E26 PolarHBondContact O-N 3.25Å
23	L	93.4	Very high	76.4	Confident	8 Å²	8	76.4 Å²	76.4	4%	0.042	44%	0.442	C	S	.	.	H	α-helix	trans	-62.7	-41.3	177.8	-177.2	63.5	0	0	0	112.4	S21 K25 E26 I27 Y38 V98 L331 V338 K340	S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 2.92Å; L23-K25 VanDerWaalsContact C-N 3.26Å; L23-K25 PolarHBondContact O-N 3.47Å; L23-E26 PolarHBondContact O-N 3.08Å; L23-I27 HydrophobicContact CD1-CD1 3.86Å; L23-I27 HydrophobicContact CD1-CG1 4.13Å; L23-I27 HydrophobicContact CD2-CD1 4.41Å; L23-I27 HydrophobicContact CG-CD1 3.75Å; L23-I27 HydrophobicContact CG-CG1 4.4Å; L23-I27 VanDerWaalsContact O-CG1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.26Å; L23-I27 PolarHBondContact O-N 2.99Å; L23-Y38 HydrophobicContact CD2-CD2 4.24Å; L23-V98 HydrophobicContact CB-CG1 4.22Å; L23-V98 HydrophobicContact CB-CG2 4.33Å; L23-V98 HydrophobicContact CD2-CG1 3.96Å; L23-V98 HydrophobicContact CD2-CG2 3.98Å; L23-V98 HydrophobicContact CG-CG2 4.39Å; L23-L331 HydrophobicContact CD1-CD2 3.88Å; L23-L331 HydrophobicContact CD2-CD2 4.38Å; L23-V338 HydrophobicContact CD2-CB 3.93Å; L23-V338 HydrophobicContact CD2-CG1 3.58Å; L23-K340 HydrophobicContact CD1-CB 4.06Å
24	E	92.7	Very high	78.8	Confident	42 Å²	42	73.2 Å²	73.2	20%	0.196	44%	0.438	C	S	.	.	H	α-helix	trans	-61.4	-37.4	174.6	-75.4	168.2	-84.9	0	0	111.9	M16 A20 S21 A22 G28 F32 K97 V98	M16-E24 HydrophobicContact CE-CB 4.16Å; A20-E24 HydrophobicContact CB-CB 4.12Å; S21-E24 VanDerWaalsContact CB-OE1 3.28Å; S21-E24 WeakPolarHBondContact CB-OE1 3.19Å; S21-E24 PolarHBondContact N-OE1 3.24Å; S21-E24 PolarHBondContact O-N 3.28Å; S21-E24 VanDerWaalsContact OG-CG 3.26Å; S21-E24 WeakPolarHBondContact OG-CG 3.39Å; S21-E24 PolarHBondContact OG-N 3.38Å; S21-E24 PolarHBondContact OG-OE1 3.11Å; A22-E24 PolarHBondContact O-N 3.08Å; E24-G28 PolarHBondContact O-N 2.94Å; E24-F32 HydrophobicContact CG-CD2 4.33Å; E24-F32 HydrophobicContact CG-CE2 4.03Å; E24-K97 HydrophobicContact CG-CB 4.31Å; E24-V98 HydrophobicContact CG-CG2 3.73Å
25	K	92.4	Very high	81.1	Confident	117 Å²	117	76 Å²	76	51%	0.509	45%	0.447	S	S	.	.	H	α-helix	trans	-69.2	-39.1	177.8	-71.8	169.2	-178.7	169.4	0	111.7	M16 A20 S21 A22 L23	M16-K25 HydrophobicContact CE-CB 4.03Å; M16-K25 HydrophobicContact CE-CG 3.36Å; M16-K25 HydrophobicContact SD-CB 4.47Å; M16-K25 HydrophobicContact SD-CG 4.2Å; A20-K25 HydrophobicContact CB-CG 4.33Å; A20-K25 WeakPolarHBondContact O-CE 3.43Å; A20-K25 PolarHBondContact O-NZ 2.94Å; S21-K25 WeakPolarHBondContact O-CG 3.28Å; S21-K25 PolarHBondContact O-N 3.45Å; S21-K25 VanDerWaalsContact O-N 3.08Å; A22-K25 WeakPolarHBondContact O-CB 3.4Å; A22-K25 PolarHBondContact O-N 3.32Å; A22-K25 VanDerWaalsContact O-N 3.11Å; L23-K25 VanDerWaalsContact C-N 3.26Å; L23-K25 PolarHBondContact O-N 3.47Å
26	E	93.2	Very high	83.6	Confident	108 Å²	108	70.3 Å²	70.3	51%	0.505	41%	0.411	S	S	.	.	H	α-helix	trans	-73	-40.7	-178.6	-170.4	178.2	-166.7	0	0	112.9	A22 L23 K340	A22-E26 WeakPolarHBondContact O-CB 3.32Å; A22-E26 PolarHBondContact O-N 3.25Å; L23-E26 PolarHBondContact O-N 3.08Å; E26-K340 HydrophobicContact CG-CB 4.21Å; E26-K340 HydrophobicContact CG-CD 4.37Å
27	I	92.9	Very high	85.7	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.021	40%	0.401	C	S	.	.	H	α-helix	trans	-68.5	-40.3	172.8	-63.5	167	0	0	0	110.1	L23 Q31 F32 Y38 F329 L331 K340	L23-I27 HydrophobicContact CD1-CD1 3.86Å; L23-I27 HydrophobicContact CD1-CG1 4.13Å; L23-I27 HydrophobicContact CD2-CD1 4.41Å; L23-I27 HydrophobicContact CG-CD1 3.75Å; L23-I27 HydrophobicContact CG-CG1 4.4Å; L23-I27 VanDerWaalsContact O-CG1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.26Å; L23-I27 PolarHBondContact O-N 2.99Å; I27-Q31 HydrophobicContact CG2-CB 4.05Å; I27-F32 HydrophobicContact CB-CD2 4.28Å; I27-F32 HydrophobicContact CD1-CD2 3.93Å; I27-F32 HydrophobicContact CD1-CE2 4.01Å; I27-F32 HydrophobicContact CG2-CB 4.01Å; I27-F32 HydrophobicContact CG2-CD2 4.1Å; I27-F32 HydrophobicContact CG2-CG 4.48Å; I27-Y38 HydrophobicContact CD1-CD2 3.99Å; I27-Y38 HydrophobicContact CD1-CE2 3.76Å; I27-F329 HydrophobicContact CD1-CE2 3.79Å; I27-F329 HydrophobicContact CD1-CZ 3.94Å; I27-F329 HydrophobicContact CG1-CE2 4.08Å; I27-F329 HydrophobicContact CG1-CZ 4.27Å; I27-F329 HydrophobicContact CG2-CE1 3.96Å; I27-F329 HydrophobicContact CG2-CE2 4.45Å; I27-F329 HydrophobicContact CG2-CZ 3.86Å; I27-L331 HydrophobicContact CD1-CD2 4.31Å; I27-K340 HydrophobicContact CG1-CB 4.48Å; I27-K340 HydrophobicContact CG1-CD 4.02Å
28	G	89.1	Confident	88.1	Confident	20 Å²	20	65.9 Å²	65.9	21%	0.206	38%	0.375	C	S	.	.			trans	81	153.5	-176.6	0	0	0	0	0	113.3	E24 E30 Q31 F32	E24-G28 PolarHBondContact O-N 2.94Å; G28-E30 VanDerWaalsContact C-N 3.27Å; G28-E30 PolarHBondContact O-N 2.97Å; G28-Q31 PolarHBondContact O-N 2.67Å; G28-F32 WeakPolarHBondContact O-CB 3.46Å; G28-F32 PolarHBondContact O-N 3.28Å; G28-F32 VanDerWaalsContact O-N 3.08Å
29	S	83.9	Confident	90	Very high	64 Å²	64	61.6 Å²	61.6	45%	0.448	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.5	-172.2	54.6	0	0	0	0	114.9
30	E	84.9	Confident	91.3	Very high	170 Å²	170	53.7 Å²	53.7	79%	0.794	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-34.8	-178.9	-64.8	-174.6	171	0	0	112.5	G28	G28-E30 VanDerWaalsContact C-N 3.27Å; G28-E30 PolarHBondContact O-N 2.97Å
31	Q	87.8	Confident	92.2	Very high	120 Å²	120	52.9 Å²	52.9	56%	0.561	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-19.5	-177.6	-60.2	-179.5	3.1	0	0	112.5	I27 G28 P33	I27-Q31 HydrophobicContact CG2-CB 4.05Å; G28-Q31 PolarHBondContact O-N 2.67Å; Q31-P33 WeakPolarHBondContact O-CD 3.48Å; Q31-P33 VanDerWaalsContact O-N 3.16Å
32	F	92.6	Very high	92.6	Very high	13 Å²	13	53.4 Å²	53.4	6%	0.057	29%	0.291	C	S	.	.	S	Bend	trans	-65.2	113.4	-180	-162.2	-71.4	0	0	0	110.6	E24 I27 G28 E36 Y38 K97 V98	E24-F32 HydrophobicContact CG-CD2 4.33Å; E24-F32 HydrophobicContact CG-CE2 4.03Å; I27-F32 HydrophobicContact CB-CD2 4.28Å; I27-F32 HydrophobicContact CD1-CD2 3.93Å; I27-F32 HydrophobicContact CD1-CE2 4.01Å; I27-F32 HydrophobicContact CG2-CB 4.01Å; I27-F32 HydrophobicContact CG2-CD2 4.1Å; I27-F32 HydrophobicContact CG2-CG 4.48Å; G28-F32 WeakPolarHBondContact O-CB 3.46Å; G28-F32 PolarHBondContact O-N 3.28Å; G28-F32 VanDerWaalsContact O-N 3.08Å; F32-E36 WeakPolarHBondContact CE1-O 3.44Å; F32-Y38 HydrophobicContact CD2-CE2 4.2Å; F32-Y38 HydrophobicContact CE1-CE2 4.19Å; F32-Y38 AromaticContact CE2-CD2 3.59Å; F32-Y38 HydrophobicContact CE2-CD2 3.59Å; F32-Y38 AromaticContact CE2-CE2 3.52Å; F32-Y38 HydrophobicContact CE2-CE2 3.52Å; F32-Y38 AromaticContact CZ-CD2 3.56Å; F32-Y38 HydrophobicContact CZ-CD2 3.56Å; F32-Y38 AromaticContact CZ-CE2 3.48Å; F32-Y38 HydrophobicContact CZ-CE2 3.48Å; F32-Y38 VanDerWaalsContact CZ-CE2 3.48Å; F32-K97 HydrophobicContact CD1-CD 3.84Å; F32-K97 HydrophobicContact CE1-CB 3.97Å; F32-K97 HydrophobicContact CE1-CD 3.59Å; F32-K97 HydrophobicContact CE1-CG 3.86Å; F32-K97 HydrophobicContact CE2-CB 4.26Å; F32-K97 HydrophobicContact CE2-CD 4.43Å; F32-K97 HydrophobicContact CG-CD 4.41Å; F32-K97 HydrophobicContact CZ-CB 3.59Å; F32-K97 HydrophobicContact CZ-CD 3.93Å; F32-K97 HydrophobicContact CZ-CG 4.03Å; F32-V98 HydrophobicContact CE2-CG2 4.18Å; F32-V98 HydrophobicContact CZ-CG2 4.48Å
33	P	92.1	Very high	93	Very high	13 Å²	13	52 Å²	52	8%	0.084	27%	0.272	C	S	.	.			trans	-65.9	142.7	-173.4	-18	31.1	0	0	0	112.6	Q31 N35 E36 Y38 H327 F329	Q31-P33 WeakPolarHBondContact O-CD 3.48Å; Q31-P33 VanDerWaalsContact O-N 3.16Å; P33-N35 PolarHBondContact O-N 2.82Å; P33-E36 HydrophobicContact CB-CB 4.01Å; P33-E36 HydrophobicContact CB-CG 3.78Å; P33-E36 HydrophobicContact CG-CB 4.41Å; P33-E36 HydrophobicContact CG-CG 4.3Å; P33-E36 PolarHBondContact O-N 3.38Å; P33-Y38 VanDerWaalsContact CD-OH 3.24Å; P33-Y38 WeakPolarHBondContact CD-OH 3.33Å; P33-Y38 WeakPolarHBondContact CG-OH 3.38Å; P33-H327 VanDerWaalsContact CB-CD2 3.49Å; P33-H327 WeakPolarHBondContact CB-CD2 3.38Å; P33-H327 VanDerWaalsContact CB-NE2 3.33Å; P33-H327 WeakPolarHBondContact CB-NE2 3.37Å; P33-H327 HydrophobicContact CG-CB 4.35Å; P33-H327 WeakPolarHBondContact CG-CD2 3.47Å; P33-F329 HydrophobicContact CG-CE1 4.17Å; P33-F329 HydrophobicContact CG-CZ 4.33Å
34	V	87.8	Confident	93.1	Very high	122 Å²	122	54.1 Å²	54.1	74%	0.739	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	133	178	-172.7	0	0	0	0	109.1	E36	V34-E36 PolarHBondContact O-N 3.12Å
35	N	88	Confident	93.1	Very high	142 Å²	142	53.8 Å²	53.8	76%	0.759	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	14.2	-179.1	-51	-35	0	0	0	115.9	P33	P33-N35 PolarHBondContact O-N 2.82Å
36	E	94.5	Very high	93.2	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.075	28%	0.282	C	S	.	.			trans	-89.2	146.2	167.5	-77.3	-66.6	170.4	0	0	111.4	F32 P33 V34 Y38 R64	F32-E36 WeakPolarHBondContact CE1-O 3.44Å; P33-E36 HydrophobicContact CB-CB 4.01Å; P33-E36 HydrophobicContact CB-CG 3.78Å; P33-E36 HydrophobicContact CG-CB 4.41Å; P33-E36 HydrophobicContact CG-CG 4.3Å; P33-E36 PolarHBondContact O-N 3.38Å; V34-E36 PolarHBondContact O-N 3.12Å; E36-Y38 HydrophobicContact CB-CE1 4.1Å; E36-R64 IonicContact OE1-CZ 2.64Å; E36-R64 IonicContact OE1-NH1 3.96Å; E36-R64 PolarHBondContact OE1-NH1 2.95Å; E36-R64 IonicContact OE1-NH2 3.8Å; E36-R64 PolarHBondContact OE1-NH2 3.36Å; E36-R64 IonicContact OE2-CZ 3.6Å; E36-R64 IonicContact OE2-NH1 3.61Å; E36-R64 PolarHBondContact OE2-NH1 3.15Å
37	H	96.8	Very high	93.4	Very high	25 Å²	25	46.3 Å²	46.3	12%	0.116	26%	0.258	C	S	.	.			trans	-132.3	124.4	-176.9	-65	-79.5	0	0	0	109.3	F39 I91 A92 Q94 R96 K97	H37-F39 HydrophobicContact CB-CD2 3.92Å; H37-F39 HydrophobicContact CB-CE2 3.88Å; H37-I91 HydrophobicContact CB-CG2 4.47Å; H37-I91 WeakPolarHBondContact CB-O 3.39Å; H37-A92 PolarHBondContact CD2-O 2.9Å; H37-A92 VanDerWaalsContact CD2-O 3.23Å; H37-A92 PolarHBondContact NE2-O 3.31Å; H37-Q94 PolarHBondContact CE1-O 2.82Å; H37-Q94 PolarHBondContact ND1-O 2.8Å; H37-R96 PolarHBondContact ND1-O 2.84Å; H37-K97 CarbonylContact C-O 3.59Å; H37-K97 WeakPolarHBondContact CA-O 3.37Å
38	Y	98.1	Very high	93.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	100.7	-177.4	-53.9	-44.9	0	0	0	110.3	L23 I27 F32 P33 E36 F59 K97 V98 G99 S326 F329 L331	L23-Y38 HydrophobicContact CD2-CD2 4.24Å; I27-Y38 HydrophobicContact CD1-CD2 3.99Å; I27-Y38 HydrophobicContact CD1-CE2 3.76Å; F32-Y38 HydrophobicContact CD2-CE2 4.2Å; F32-Y38 HydrophobicContact CE1-CE2 4.19Å; F32-Y38 AromaticContact CE2-CD2 3.59Å; F32-Y38 HydrophobicContact CE2-CD2 3.59Å; F32-Y38 AromaticContact CE2-CE2 3.52Å; F32-Y38 HydrophobicContact CE2-CE2 3.52Å; F32-Y38 AromaticContact CZ-CD2 3.56Å; F32-Y38 HydrophobicContact CZ-CD2 3.56Å; F32-Y38 AromaticContact CZ-CE2 3.48Å; F32-Y38 HydrophobicContact CZ-CE2 3.48Å; F32-Y38 VanDerWaalsContact CZ-CE2 3.48Å; P33-Y38 VanDerWaalsContact CD-OH 3.24Å; P33-Y38 WeakPolarHBondContact CD-OH 3.33Å; P33-Y38 WeakPolarHBondContact CG-OH 3.38Å; E36-Y38 HydrophobicContact CB-CE1 4.1Å; Y38-F59 HydrophobicContact CD1-CE1 4.38Å; Y38-F59 AromaticContact CD1-CZ 3.97Å; Y38-F59 HydrophobicContact CD1-CZ 3.97Å; Y38-F59 HydrophobicContact CE1-CE1 4.09Å; Y38-F59 HydrophobicContact CE1-CZ 4.15Å; Y38-K97 PolarHBondContact N-O 2.97Å; Y38-V98 VanDerWaalsContact O-CA 3.27Å; Y38-V98 WeakPolarHBondContact O-CA 3.34Å; Y38-G99 PolarHBondContact O-N 3.1Å; Y38-S326 WeakPolarHBondContact CE1-OG 3.06Å; Y38-S326 PolarHBondContact OH-OG 2.66Å; Y38-F329 HydrophobicContact CE2-CE2 4.31Å; Y38-F329 HydrophobicContact CE2-CZ 4.05Å; Y38-F329 AromaticContact CZ-CZ 3.94Å; Y38-F329 VanDerWaalsContact OH-CZ 3.26Å; Y38-F329 WeakPolarHBondContact OH-CZ 3.42Å; Y38-L331 HydrophobicContact CD1-CD1 3.46Å; Y38-L331 VanDerWaalsContact CD1-CD1 3.46Å; Y38-L331 HydrophobicContact CD2-CD1 4.04Å; Y38-L331 HydrophobicContact CE1-CD1 3.55Å; Y38-L331 HydrophobicContact CE2-CD1 4.14Å; Y38-L331 HydrophobicContact CG-CD1 3.71Å
39	F	98.4	Very high	94	Very high	9 Å²	9	45.5 Å²	45.5	4%	0.039	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.7	-174.6	-77.9	-104.8	0	0	0	111.6	H37 Q55 I91 Q94 R96 G99 I101	H37-F39 HydrophobicContact CB-CD2 3.92Å; H37-F39 HydrophobicContact CB-CE2 3.88Å; F39-Q55 PolarHBondContact O-NE2 3.41Å; F39-I91 HydrophobicContact CB-CG2 4.33Å; F39-I91 HydrophobicContact CD2-CG2 4.49Å; F39-Q94 HydrophobicContact CD1-CG 4.15Å; F39-Q94 HydrophobicContact CD2-CB 4.42Å; F39-Q94 HydrophobicContact CD2-CG 4.18Å; F39-Q94 HydrophobicContact CE1-CB 4.14Å; F39-Q94 HydrophobicContact CE1-CG 3.62Å; F39-Q94 HydrophobicContact CE2-CB 3.54Å; F39-Q94 HydrophobicContact CE2-CG 3.67Å; F39-Q94 HydrophobicContact CG-CG 4.42Å; F39-Q94 HydrophobicContact CZ-CB 3.38Å; F39-Q94 HydrophobicContact CZ-CG 3.38Å; F39-R96 VanDerWaalsContact CE2-O 3.29Å; F39-R96 WeakPolarHBondContact CE2-O 3.38Å; F39-R96 HydrophobicContact CZ-CB 4.22Å; F39-R96 WeakPolarHBondContact CZ-O 3.32Å; F39-G99 CarbonylContact C-O 3.52Å; F39-G99 VanDerWaalsContact CA-O 3.24Å; F39-G99 WeakPolarHBondContact CA-O 3.36Å; F39-G99 VanDerWaalsContact CE1-CA 3.49Å; F39-I101 HydrophobicContact CB-CD1 3.99Å; F39-I101 HydrophobicContact CB-CG1 4.38Å; F39-I101 HydrophobicContact CD1-CD1 3.77Å; F39-I101 HydrophobicContact CD1-CG1 3.76Å; F39-I101 HydrophobicContact CG-CD1 3.93Å; F39-I101 HydrophobicContact CG-CG1 4.33Å
40	G	98.6	Very high	94.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	158.3	168	0	0	0	0	0	111.5	G99 V100 I101 D335	G40-G99 PolarHBondContact N-O 3.18Å; G40-V100 CarbonylContact O-C 3.59Å; G40-V100 WeakPolarHBondContact O-CA 3.32Å; G40-I101 PolarHBondContact O-N 3.49Å; G40-D335 CarbonylContact C-O 3.56Å; G40-D335 VanDerWaalsContact C-O 3.27Å; G40-D335 WeakPolarHBondContact CA-O 3.47Å
41	L	98.8	Very high	95.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.8	177.4	-64.5	177.7	0	0	0	110.5	N43 N51 L54 Q55 L87 I101 P103 D335 D336	L41-N43 PolarHBondContact O-N 3.42Å; L41-N51 HydrophobicContact CB-CB 4.06Å; L41-N51 HydrophobicContact CD1-CB 4.28Å; L41-N51 PolarHBondContact O-ND2 3.46Å; L41-N51 VanDerWaalsContact O-ND2 3.09Å; L41-L54 HydrophobicContact CD1-CB 3.95Å; L41-L54 HydrophobicContact CD1-CD1 4.07Å; L41-Q55 HydrophobicContact CD1-CG 4.46Å; L41-L87 HydrophobicContact CD2-CD1 4.18Å; L41-I101 WeakPolarHBondContact CA-O 3.44Å; L41-I101 HydrophobicContact CD2-CB 4.33Å; L41-I101 HydrophobicContact CD2-CG2 4.38Å; L41-P103 HydrophobicContact CB-CG 4.24Å; L41-P103 HydrophobicContact CD2-CB 4.43Å; L41-P103 HydrophobicContact CD2-CG 4.36Å; L41-D335 PolarHBondContact N-O 3.46Å; L41-D335 CarbonylContact O-C 3.51Å; L41-D335 VanDerWaalsContact O-CA 3.24Å; L41-D335 WeakPolarHBondContact O-CA 3.4Å; L41-D335 WeakPolarHBondContact O-CB 3.41Å; L41-D336 PolarHBondContact O-N 3.17Å
42	V	98.6	Very high	95.9	Very high	46 Å²	46	29 Å²	29	28%	0.279	17%	0.165	S	C	.	.			trans	-61.5	133.3	179.2	-177.8	0	0	0	0	110.8	F44 N51 V100 I101 P102	V42-F44 HydrophobicContact CB-CE2 4.27Å; V42-F44 HydrophobicContact CB-CZ 4.04Å; V42-F44 HydrophobicContact CG1-CE1 4.11Å; V42-F44 HydrophobicContact CG1-CZ 4.01Å; V42-N51 PolarHBondContact O-ND2 2.85Å; V42-V100 HydrophobicContact CG2-CG1 3.52Å; V42-I101 PolarHBondContact N-O 3.13Å; V42-I101 VanDerWaalsContact N-O 3.12Å; V42-P102 HydrophobicContact CB-CB 4.35Å; V42-P102 HydrophobicContact CG2-CB 4.02Å
43	N	97.6	Very high	96.2	Very high	51 Å²	51	28.3 Å²	28.3	27%	0.273	16%	0.162	S	C	.	.			trans	-77.4	127.8	171	-165	-40.5	0	0	0	111.4	L41 G45 N46 T47 D335	L41-N43 PolarHBondContact O-N 3.42Å; N43-G45 WeakPolarHBondContact OD1-CA 3.26Å; N43-G45 PolarHBondContact OD1-N 3.26Å; N43-N46 PolarHBondContact OD1-N 3.22Å; N43-N46 VanDerWaalsContact OD1-N 3.1Å; N43-T47 PolarHBondContact OD1-N 3.02Å; N43-T47 VanDerWaalsContact OD1-N 3.12Å; N43-T47 PolarHBondContact OD1-OG1 2.9Å; N43-D335 HydrophobicContact CB-CB 4.27Å; N43-D335 WeakPolarHBondContact CB-OD2 3.41Å; N43-D335 PolarHBondContact ND2-OD2 3.1Å
44	F	95.9	Very high	96.5	Very high	54 Å²	54	27.8 Å²	27.8	24%	0.237	16%	0.158	C	C	.	.	S	Bend	trans	-105	40.2	177.9	-68.1	-68.3	0	0	0	112.8	V42 T47 P102 P103 K104 I107	V42-F44 HydrophobicContact CB-CE2 4.27Å; V42-F44 HydrophobicContact CB-CZ 4.04Å; V42-F44 HydrophobicContact CG1-CE1 4.11Å; V42-F44 HydrophobicContact CG1-CZ 4.01Å; F44-T47 HydrophobicContact CB-CG2 4.05Å; F44-T47 PolarHBondContact N-OG1 3.44Å; F44-P102 HydrophobicContact CE2-CB 4.36Å; F44-P102 HydrophobicContact CZ-CB 3.72Å; F44-P103 HydrophobicContact CD2-CG 4.41Å; F44-P103 HydrophobicContact CE2-CG 4Å; F44-K104 HydrophobicContact CE1-CD 4.34Å; F44-K104 HydrophobicContact CE1-CG 3.76Å; F44-K104 HydrophobicContact CE2-CG 3.8Å; F44-K104 HydrophobicContact CZ-CB 4.43Å; F44-K104 HydrophobicContact CZ-CD 4.14Å; F44-K104 HydrophobicContact CZ-CG 3.25Å; F44-I107 HydrophobicContact CD2-CG1 4.12Å
45	G	92.5	Very high	97	Very high	35 Å²	35	22.3 Å²	22.3	36%	0.361	12%	0.124	S	C	.	.	S	Bend	trans	80.3	100.6	-177.2	0	0	0	0	0	110.9	N43 T47	N43-G45 WeakPolarHBondContact OD1-CA 3.26Å; N43-G45 PolarHBondContact OD1-N 3.26Å; G45-T47 VanDerWaalsContact C-N 3.27Å; G45-T47 PolarHBondContact O-N 2.88Å
46	N	95.1	Very high	97.5	Very high	67 Å²	67	15.5 Å²	15.5	36%	0.358	9%	0.088	S	C	.	.	S	Bend	trans	55.5	35.3	-179	-64.2	-38.9	0	0	0	114.1	N43 Y49 Y120 Q122	N43-N46 PolarHBondContact OD1-N 3.22Å; N43-N46 VanDerWaalsContact OD1-N 3.1Å; N46-Y49 WeakPolarHBondContact O-CD1 3.16Å; N46-Y49 WeakPolarHBondContact O-CE1 3.24Å; N46-Y120 PolarHBondContact ND2-O 3.41Å; N46-Q122 HydrophobicContact CB-CG 3.96Å; N46-Q122 PolarHBondContact OD1-NE2 3.46Å
47	T	97.4	Very high	97.8	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	9%	0.085	C	C	.	.			trans	-101.4	10.2	176.6	65.4	0	0	0	0	114	N43 F44 G45 Y49 C50 N51 I107	N43-T47 PolarHBondContact OD1-N 3.02Å; N43-T47 VanDerWaalsContact OD1-N 3.12Å; N43-T47 PolarHBondContact OD1-OG1 2.9Å; F44-T47 HydrophobicContact CB-CG2 4.05Å; F44-T47 PolarHBondContact N-OG1 3.44Å; G45-T47 VanDerWaalsContact C-N 3.27Å; G45-T47 PolarHBondContact O-N 2.88Å; T47-Y49 VanDerWaalsContact C-N 3.25Å; T47-Y49 PolarHBondContact O-N 2.83Å; T47-C50 WeakPolarHBondContact O-CB 3.41Å; T47-C50 PolarHBondContact O-N 2.95Å; T47-N51 PolarHBondContact O-N 3.39Å; T47-I107 HydrophobicContact CG2-CD1 4.28Å; T47-I107 HydrophobicContact CG2-CG2 4.36Å
48	C	97.7	Very high	97.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.7	-31	179.4	55.6	0	0	0	0	112.8	C50 N51 S52 Q122 H319 Y320	C48-C50 PolarHBondContact O-N 2.75Å; C48-N51 PolarHBondContact O-N 2.81Å; C48-S52 WeakPolarHBondContact O-CB 3.28Å; C48-S52 PolarHBondContact O-N 3.14Å; C48-S52 PolarHBondContact O-OG 3.18Å; C48-Q122 PolarHBondContact SG-NE2 2.92Å; C48-Q122 PolarHBondContact SG-OE1 3.24Å; C48-H319 WeakPolarHBondContact CB-ND1 3.35Å; C48-H319 PolarHBondContact SG-ND1 3.39Å; C48-H319 VanDerWaalsContact SG-ND1 3.41Å; C48-Y320 PolarHBondContact SG-N 2.93Å
49	Y	97.5	Very high	97.9	Very high	6 Å²	6	14.3 Å²	14.3	2%	0.024	8%	0.083	C	C	.	.	H	α-helix	trans	-58	-36.6	172.1	76	-88.2	0	0	0	111.9	N46 T47 S52 V53 F117 Q123 F128	N46-Y49 WeakPolarHBondContact O-CD1 3.16Å; N46-Y49 WeakPolarHBondContact O-CE1 3.24Å; T47-Y49 VanDerWaalsContact C-N 3.25Å; T47-Y49 PolarHBondContact O-N 2.83Å; Y49-S52 PolarHBondContact O-OG 2.64Å; Y49-V53 WeakPolarHBondContact O-CG2 3.3Å; Y49-F117 AromaticContact CE2-CD1 3.91Å; Y49-F117 HydrophobicContact CE2-CD1 3.91Å; Y49-F117 HydrophobicContact CE2-CE1 4.05Å; Y49-F117 WeakPolarHBondContact OH-CD1 3.41Å; Y49-Q123 WeakPolarHBondContact CB-O 3.43Å; Y49-Q123 HydrophobicContact CD1-CB 3.84Å; Y49-Q123 HydrophobicContact CD1-CG 4.41Å; Y49-Q123 HydrophobicContact CD2-CB 3.92Å; Y49-Q123 HydrophobicContact CE1-CB 3.73Å; Y49-Q123 HydrophobicContact CE1-CG 3.87Å; Y49-Q123 HydrophobicContact CE2-CB 3.81Å; Y49-Q123 HydrophobicContact CE2-CG 4.43Å; Y49-Q123 HydrophobicContact CG-CB 3.94Å; Y49-F128 HydrophobicContact CD2-CB 3.68Å; Y49-F128 HydrophobicContact CD2-CD1 4.34Å; Y49-F128 HydrophobicContact CD2-CG 4.01Å; Y49-F128 HydrophobicContact CE2-CB 3.75Å; Y49-F128 HydrophobicContact CE2-CD2 4.2Å; Y49-F128 AromaticContact CE2-CG 3.89Å; Y49-F128 HydrophobicContact CE2-CG 3.89Å
50	C	98.3	Very high	97.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-77.1	-48.4	177.3	176.5	0	0	0	0	110.5	T47 C48 S52 V53 L54 I107 F128	T47-C50 WeakPolarHBondContact O-CB 3.41Å; T47-C50 PolarHBondContact O-N 2.95Å; C48-C50 PolarHBondContact O-N 2.75Å; C50-S52 PolarHBondContact O-N 3.44Å; C50-V53 PolarHBondContact O-N 3.41Å; C50-L54 WeakPolarHBondContact O-CB 3.46Å; C50-L54 VanDerWaalsContact O-CG 3.25Å; C50-L54 WeakPolarHBondContact O-CG 3.36Å; C50-L54 PolarHBondContact O-N 3.32Å; C50-I107 HydrophobicContact CB-CD1 4.18Å; C50-I107 VanDerWaalsContact SG-CD1 3.57Å; C50-F128 HydrophobicContact CB-CD1 4.33Å; C50-F128 HydrophobicContact CB-CE1 4.06Å; C50-F128 HydrophobicContact CB-CZ 4.22Å; C50-F128 WeakPolarHBondContact SG-CZ 3.41Å
51	N	98.8	Very high	97.8	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-57.8	-48.2	-179.4	-70.3	-14.5	0	0	0	112	L41 V42 T47 C48 V53 L54 Q55 D335	L41-N51 HydrophobicContact CB-CB 4.06Å; L41-N51 HydrophobicContact CD1-CB 4.28Å; L41-N51 PolarHBondContact O-ND2 3.46Å; L41-N51 VanDerWaalsContact O-ND2 3.09Å; V42-N51 PolarHBondContact O-ND2 2.85Å; T47-N51 PolarHBondContact O-N 3.39Å; C48-N51 PolarHBondContact O-N 2.81Å; N51-V53 PolarHBondContact O-N 3.36Å; N51-L54 PolarHBondContact O-N 2.99Å; N51-Q55 VanDerWaalsContact O-CG 3.32Å; N51-Q55 WeakPolarHBondContact O-CG 3.27Å; N51-Q55 PolarHBondContact O-N 3.43Å; N51-D335 PolarHBondContact ND2-OD1 3.39Å
52	S	98.8	Very high	97.8	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.028	10%	0.104	C	C	.	.	H	α-helix	trans	-60.6	-43.5	179.9	55.7	0	0	0	0	112.9	C48 Y49 C50 Q55 A56 Y320 A322	C48-S52 WeakPolarHBondContact O-CB 3.28Å; C48-S52 PolarHBondContact O-N 3.14Å; C48-S52 PolarHBondContact O-OG 3.18Å; Y49-S52 PolarHBondContact O-OG 2.64Å; C50-S52 PolarHBondContact O-N 3.44Å; S52-Q55 PolarHBondContact O-N 2.94Å; S52-A56 PolarHBondContact O-N 2.97Å; S52-Y320 WeakPolarHBondContact OG-CB 3.17Å; S52-A322 WeakPolarHBondContact O-CB 3.15Å
53	V	98.9	Very high	97.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.2	-40.5	175.8	170.9	0	0	0	0	111.6	Y49 C50 N51 Q55 A56 L57 A125 F128 L129 V308 I365	Y49-V53 WeakPolarHBondContact O-CG2 3.3Å; C50-V53 PolarHBondContact O-N 3.41Å; N51-V53 PolarHBondContact O-N 3.36Å; V53-Q55 VanDerWaalsContact C-N 3.33Å; V53-Q55 PolarHBondContact O-N 2.72Å; V53-A56 PolarHBondContact O-N 2.83Å; V53-L57 HydrophobicContact CG1-CD1 3.91Å; V53-L57 HydrophobicContact CG1-CG 4.32Å; V53-L57 WeakPolarHBondContact O-CB 3.41Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.73Å; V53-A125 HydrophobicContact CG2-CB 3.88Å; V53-A125 WeakPolarHBondContact CG2-O 3.36Å; V53-F128 HydrophobicContact CB-CD1 3.68Å; V53-F128 HydrophobicContact CB-CE1 3.73Å; V53-F128 HydrophobicContact CG1-CD1 3.75Å; V53-F128 HydrophobicContact CG1-CE1 3.68Å; V53-F128 HydrophobicContact CG2-CD1 4.01Å; V53-L129 HydrophobicContact CG1-CB 4.04Å; V53-L129 HydrophobicContact CG1-CD1 3.89Å; V53-V308 HydrophobicContact CG2-CG2 4.21Å; V53-I365 HydrophobicContact CG2-CD1 4.46Å
54	L	98.9	Very high	97.8	Very high	2 Å²	2	16 Å²	16	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-61.7	-41	175.9	-72.3	174.4	0	0	0	111.9	L41 C50 N51 Y58 L84 L87 F106 F128 L132	L41-L54 HydrophobicContact CD1-CB 3.95Å; L41-L54 HydrophobicContact CD1-CD1 4.07Å; C50-L54 WeakPolarHBondContact O-CB 3.46Å; C50-L54 VanDerWaalsContact O-CG 3.25Å; C50-L54 WeakPolarHBondContact O-CG 3.36Å; C50-L54 PolarHBondContact O-N 3.32Å; N51-L54 PolarHBondContact O-N 2.99Å; L54-Y58 WeakPolarHBondContact O-CB 3.46Å; L54-Y58 PolarHBondContact O-N 3.1Å; L54-L84 HydrophobicContact CD2-CD1 3.44Å; L54-L84 VanDerWaalsContact CD2-CD1 3.44Å; L54-L87 HydrophobicContact CD1-CD2 3.9Å; L54-F106 HydrophobicContact CD1-CD1 3.97Å; L54-F106 HydrophobicContact CD1-CE1 3.95Å; L54-F106 HydrophobicContact CD2-CE1 4.08Å; L54-F106 HydrophobicContact CD2-CZ 4.01Å; L54-F106 HydrophobicContact CG-CE1 4.42Å; L54-F128 HydrophobicContact CG-CE1 4.47Å; L54-L132 HydrophobicContact CD2-CD2 4.34Å
55	Q	98.8	Very high	98	Very high	6 Å²	6	19.2 Å²	19.2	3%	0.028	10%	0.098	C	C	.	.	H	α-helix	trans	-63.6	-49.3	174	-66.2	-66.5	5.2	0	0	110.7	F39 L41 N51 S52 V53 L57 Y58 F59 A322 F333	F39-Q55 PolarHBondContact O-NE2 3.41Å; L41-Q55 HydrophobicContact CD1-CG 4.46Å; N51-Q55 VanDerWaalsContact O-CG 3.32Å; N51-Q55 WeakPolarHBondContact O-CG 3.27Å; N51-Q55 PolarHBondContact O-N 3.43Å; S52-Q55 PolarHBondContact O-N 2.94Å; V53-Q55 VanDerWaalsContact C-N 3.33Å; V53-Q55 PolarHBondContact O-N 2.72Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L57 PolarHBondContact O-N 3.09Å; Q55-Y58 PolarHBondContact O-N 3.4Å; Q55-Y58 VanDerWaalsContact O-N 3.1Å; Q55-F59 WeakPolarHBondContact O-CD2 3.27Å; Q55-F59 PolarHBondContact O-N 2.95Å; Q55-F59 VanDerWaalsContact O-N 3.12Å; Q55-A322 HydrophobicContact CB-CB 3.79Å; Q55-F333 HydrophobicContact CB-CB 4.38Å; Q55-F333 HydrophobicContact CB-CG 4.4Å; Q55-F333 HydrophobicContact CG-CB 3.9Å; Q55-F333 HydrophobicContact CG-CD1 3.96Å; Q55-F333 HydrophobicContact CG-CG 3.95Å
56	A	98.9	Very high	98.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-56.2	-43.8	177.8	0	0	0	0	0	112.5	S52 V53 F59 C60 A306 V308 F367	S52-A56 PolarHBondContact O-N 2.97Å; V53-A56 PolarHBondContact O-N 2.83Å; A56-F59 PolarHBondContact O-N 3.11Å; A56-C60 PolarHBondContact O-N 3.12Å; A56-C60 PolarHBondContact O-SG 3.12Å; A56-A306 HydrophobicContact CB-CB 3.73Å; A56-V308 HydrophobicContact CB-CG2 3.91Å; A56-F367 HydrophobicContact CB-CD2 3.83Å; A56-F367 HydrophobicContact CB-CE2 3.56Å; A56-F367 HydrophobicContact CB-CZ 4.16Å
57	L	98.9	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-69.6	-33.6	176.8	-71	175.5	0	0	0	113.3	V53 Q55 F59 C60 F63 F88 L129 L132 L133 F178 F367	V53-L57 HydrophobicContact CG1-CD1 3.91Å; V53-L57 HydrophobicContact CG1-CG 4.32Å; V53-L57 WeakPolarHBondContact O-CB 3.41Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.73Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L57 PolarHBondContact O-N 3.09Å; L57-F59 VanDerWaalsContact C-N 3.3Å; L57-F59 PolarHBondContact O-N 3.31Å; L57-C60 WeakPolarHBondContact O-CB 3.24Å; L57-C60 PolarHBondContact O-N 3.19Å; L57-F63 HydrophobicContact CB-CD1 3.91Å; L57-F63 HydrophobicContact CB-CE1 3.85Å; L57-F63 HydrophobicContact CD1-CE1 4.19Å; L57-F63 HydrophobicContact CD1-CZ 4.44Å; L57-F63 HydrophobicContact CD2-CD1 4.33Å; L57-F63 HydrophobicContact CD2-CE1 4.35Å; L57-F63 HydrophobicContact CG-CE1 4.37Å; L57-F63 WeakPolarHBondContact O-CD1 3.38Å; L57-F88 HydrophobicContact CB-CZ 4.33Å; L57-L129 HydrophobicContact CD1-CD1 4.13Å; L57-L129 HydrophobicContact CD2-CD1 4.1Å; L57-L129 HydrophobicContact CG-CD1 4.34Å; L57-L132 HydrophobicContact CD1-CD2 3.64Å; L57-L133 HydrophobicContact CD2-CD2 4.39Å; L57-F178 HydrophobicContact CD2-CE1 4.4Å; L57-F178 HydrophobicContact CD2-CE2 4.34Å; L57-F178 HydrophobicContact CD2-CZ 3.67Å; L57-F367 HydrophobicContact CD2-CE1 3.98Å; L57-F367 HydrophobicContact CD2-CZ 4.47Å
58	Y	98.8	Very high	98.4	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.016	9%	0.092	C	C	.	.	H	α-helix	trans	-64.5	-37	175.9	-174.7	-96.5	0	0	0	111.6	L54 Q55 C60 R64 F88 I91	L54-Y58 WeakPolarHBondContact O-CB 3.46Å; L54-Y58 PolarHBondContact O-N 3.1Å; Q55-Y58 PolarHBondContact O-N 3.4Å; Q55-Y58 VanDerWaalsContact O-N 3.1Å; Y58-C60 VanDerWaalsContact C-N 3.34Å; Y58-R64 HydrophobicContact CD2-CG 4.25Å; Y58-R64 HydrophobicContact CE2-CG 4.11Å; Y58-R64 WeakPolarHBondContact O-CB 3.35Å; Y58-R64 VanDerWaalsContact O-CD 3.26Å; Y58-R64 WeakPolarHBondContact O-CD 3.29Å; Y58-F88 HydrophobicContact CD2-CB 4.28Å; Y58-F88 AromaticContact CD2-CD1 3.79Å; Y58-F88 HydrophobicContact CD2-CD1 3.79Å; Y58-F88 AromaticContact CD2-CD2 3.76Å; Y58-F88 HydrophobicContact CD2-CD2 3.76Å; Y58-F88 AromaticContact CD2-CE1 3.96Å; Y58-F88 HydrophobicContact CD2-CE1 3.96Å; Y58-F88 AromaticContact CD2-CE2 3.94Å; Y58-F88 HydrophobicContact CD2-CE2 3.94Å; Y58-F88 AromaticContact CD2-CG 3.68Å; Y58-F88 HydrophobicContact CD2-CG 3.68Å; Y58-F88 HydrophobicContact CD2-CZ 4.04Å; Y58-F88 HydrophobicContact CE2-CB 4.26Å; Y58-F88 HydrophobicContact CE2-CD2 4.37Å; Y58-F88 HydrophobicContact CE2-CG 4.16Å; Y58-F88 HydrophobicContact CG-CZ 4.43Å; Y58-I91 HydrophobicContact CD2-CD1 4.16Å; Y58-I91 HydrophobicContact CE1-CG2 3.98Å; Y58-I91 HydrophobicContact CE2-CB 3.97Å; Y58-I91 HydrophobicContact CE2-CD1 4.21Å; Y58-I91 HydrophobicContact CE2-CG2 3.95Å; Y58-I91 WeakPolarHBondContact OH-CG2 3.1Å
59	F	98.6	Very high	98.3	Very high	12 Å²	12	23 Å²	23	5%	0.053	11%	0.113	C	C	.	.	H	α-helix	trans	-84.7	-7.5	178.1	-74.7	-94.1	0	0	0	113.8	Y38 Q55 A56 L57 R61 V324 L331 F333	Y38-F59 HydrophobicContact CD1-CE1 4.38Å; Y38-F59 AromaticContact CD1-CZ 3.97Å; Y38-F59 HydrophobicContact CD1-CZ 3.97Å; Y38-F59 HydrophobicContact CE1-CE1 4.09Å; Y38-F59 HydrophobicContact CE1-CZ 4.15Å; Q55-F59 WeakPolarHBondContact O-CD2 3.27Å; Q55-F59 PolarHBondContact O-N 2.95Å; Q55-F59 VanDerWaalsContact O-N 3.12Å; A56-F59 PolarHBondContact O-N 3.11Å; L57-F59 VanDerWaalsContact C-N 3.3Å; L57-F59 PolarHBondContact O-N 3.31Å; F59-R61 PolarHBondContact O-N 2.88Å; F59-V324 HydrophobicContact CB-CB 3.82Å; F59-V324 HydrophobicContact CB-CG1 4.03Å; F59-V324 HydrophobicContact CB-CG2 4.42Å; F59-V324 HydrophobicContact CD1-CB 4.07Å; F59-V324 HydrophobicContact CD1-CG2 3.81Å; F59-V324 HydrophobicContact CD2-CB 3.82Å; F59-V324 HydrophobicContact CD2-CG1 3.83Å; F59-V324 HydrophobicContact CD2-CG2 3.58Å; F59-V324 HydrophobicContact CE1-CG2 3.89Å; F59-V324 HydrophobicContact CE2-CB 4.41Å; F59-V324 HydrophobicContact CE2-CG2 3.66Å; F59-V324 HydrophobicContact CG-CB 3.62Å; F59-V324 HydrophobicContact CG-CG1 4.02Å; F59-V324 HydrophobicContact CG-CG2 3.66Å; F59-V324 HydrophobicContact CZ-CG2 3.81Å; F59-L331 HydrophobicContact CZ-CD1 4.43Å; F59-F333 AromaticContact CE2-CE2 3.72Å; F59-F333 HydrophobicContact CE2-CE2 3.72Å; F59-F333 AromaticContact CE2-CZ 3.71Å; F59-F333 HydrophobicContact CE2-CZ 3.71Å; F59-F333 AromaticContact CZ-CE2 3.86Å; F59-F333 HydrophobicContact CZ-CE2 3.86Å; F59-F333 AromaticContact CZ-CZ 3.77Å; F59-F333 HydrophobicContact CZ-CZ 3.77Å
60	C	98.6	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-71.7	88.4	162.4	-70.6	0	0	0	0	109.9	A56 L57 Y58 F63 R64 I256	A56-C60 PolarHBondContact O-N 3.12Å; A56-C60 PolarHBondContact O-SG 3.12Å; L57-C60 WeakPolarHBondContact O-CB 3.24Å; L57-C60 PolarHBondContact O-N 3.19Å; Y58-C60 VanDerWaalsContact C-N 3.34Å; C60-F63 HydrophobicContact CB-CB 4.06Å; C60-F63 WeakPolarHBondContact O-CA 3.03Å; C60-F63 WeakPolarHBondContact O-CB 3.18Å; C60-F63 PolarHBondContact O-N 3.06Å; C60-R64 PolarHBondContact O-N 3.12Å; C60-I256 HydrophobicContact CB-CD1 3.55Å
61	R	97.3	Very high	98	Very high	93 Å²	93	27 Å²	27	35%	0.351	13%	0.128	S	C	.	.	H	α-helix	trans	-50.9	-48.4	-170.3	-68.5	-175	176.5	-170.3	-2.7	114.9	F59 F63 R64 E65 H327	F59-R61 PolarHBondContact O-N 2.88Å; R61-F63 PolarHBondContact O-N 3.06Å; R61-R64 PolarHBondContact O-N 3.47Å; R61-E65 WeakPolarHBondContact O-CG 3.48Å; R61-E65 PolarHBondContact O-N 3.38Å; R61-H327 PolarHBondContact NH2-CD2 3.3Å; R61-H327 PolarHBondContact NH2-CE1 2.77Å; R61-H327 PolarHBondContact NH2-ND1 3.37Å; R61-H327 PolarHBondContact NH2-NE2 2.82Å
62	P	98.3	Very high	97.6	Very high	22 Å²	22	31.8 Å²	31.8	14%	0.143	16%	0.162	C	C	.	.	H	α-helix	trans	-56.2	-38.1	176.6	-25.8	34.1	0	0	0	113.3	K66 I177 M255 I256	P62-K66 WeakPolarHBondContact O-CG 3.34Å; P62-K66 PolarHBondContact O-N 3.28Å; P62-I177 HydrophobicContact CB-CD1 4.11Å; P62-I177 HydrophobicContact CB-CG1 4.19Å; P62-M255 HydrophobicContact CB-SD 3.64Å; P62-M255 HydrophobicContact CG-SD 3.61Å; P62-I256 HydrophobicContact CG-CD1 4.26Å
63	F	98.7	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-71.6	-47	178.2	-176.7	-100.9	0	0	0	111.3	L57 C60 R61 E65 K66 I67 L84 F88 L133 I136 W173 I177 F178	L57-F63 HydrophobicContact CB-CD1 3.91Å; L57-F63 HydrophobicContact CB-CE1 3.85Å; L57-F63 HydrophobicContact CD1-CE1 4.19Å; L57-F63 HydrophobicContact CD1-CZ 4.44Å; L57-F63 HydrophobicContact CD2-CD1 4.33Å; L57-F63 HydrophobicContact CD2-CE1 4.35Å; L57-F63 HydrophobicContact CG-CE1 4.37Å; L57-F63 WeakPolarHBondContact O-CD1 3.38Å; C60-F63 HydrophobicContact CB-CB 4.06Å; C60-F63 WeakPolarHBondContact O-CA 3.03Å; C60-F63 WeakPolarHBondContact O-CB 3.18Å; C60-F63 PolarHBondContact O-N 3.06Å; R61-F63 PolarHBondContact O-N 3.06Å; F63-E65 VanDerWaalsContact C-N 3.3Å; F63-E65 PolarHBondContact O-N 3.09Å; F63-K66 PolarHBondContact O-N 3.15Å; F63-I67 HydrophobicContact CD1-CG1 4.05Å; F63-I67 HydrophobicContact CE1-CD1 4.21Å; F63-I67 HydrophobicContact CE1-CG1 3.72Å; F63-I67 HydrophobicContact CE2-CD1 4.34Å; F63-I67 HydrophobicContact CE2-CG1 4.31Å; F63-I67 HydrophobicContact CG-CG1 4.48Å; F63-I67 HydrophobicContact CZ-CD1 3.9Å; F63-I67 HydrophobicContact CZ-CG1 3.88Å; F63-I67 WeakPolarHBondContact O-CG1 3.45Å; F63-I67 PolarHBondContact O-N 3.27Å; F63-L84 HydrophobicContact CE1-CD2 4.17Å; F63-L84 HydrophobicContact CZ-CD2 4.01Å; F63-F88 AromaticContact CD1-CE2 3.96Å; F63-F88 HydrophobicContact CD1-CE2 3.96Å; F63-F88 HydrophobicContact CD1-CZ 4.41Å; F63-F88 AromaticContact CE1-CE2 3.96Å; F63-F88 HydrophobicContact CE1-CE2 3.96Å; F63-F88 HydrophobicContact CE1-CZ 4.14Å; F63-L133 HydrophobicContact CE2-CD2 4.11Å; F63-L133 HydrophobicContact CZ-CD2 4.47Å; F63-I136 HydrophobicContact CE2-CD1 4.36Å; F63-I136 HydrophobicContact CZ-CD1 3.9Å; F63-W173 HydrophobicContact CD2-CH2 4.37Å; F63-W173 AromaticContact CD2-CZ3 3.64Å; F63-W173 HydrophobicContact CD2-CZ3 3.64Å; F63-W173 AromaticContact CE2-CH2 3.95Å; F63-W173 HydrophobicContact CE2-CH2 3.95Å; F63-W173 AromaticContact CE2-CZ3 3.59Å; F63-W173 HydrophobicContact CE2-CZ3 3.59Å; F63-I177 HydrophobicContact CB-CD1 4.23Å; F63-I177 HydrophobicContact CD2-CD1 4.48Å; F63-F178 HydrophobicContact CB-CE2 4.26Å; F63-F178 HydrophobicContact CB-CZ 4.39Å; F63-F178 AromaticContact CD2-CE2 3.59Å; F63-F178 HydrophobicContact CD2-CE2 3.59Å; F63-F178 HydrophobicContact CD2-CZ 4.35Å; F63-F178 HydrophobicContact CE2-CE2 4.18Å; F63-F178 HydrophobicContact CG-CE2 4.1Å; F63-F178 HydrophobicContact CG-CZ 4.45Å
64	R	98.5	Very high	96.5	Very high	28 Å²	28	40.8 Å²	40.8	11%	0.106	21%	0.214	C	C	.	.	H	α-helix	trans	-53.9	-46.5	175.2	-179.5	175.6	66.3	174.1	6.9	111.8	E36 Y58 C60 R61 I67 L68 F88	E36-R64 IonicContact OE1-CZ 2.64Å; E36-R64 IonicContact OE1-NH1 3.96Å; E36-R64 PolarHBondContact OE1-NH1 2.95Å; E36-R64 IonicContact OE1-NH2 3.8Å; E36-R64 PolarHBondContact OE1-NH2 3.36Å; E36-R64 IonicContact OE2-CZ 3.6Å; E36-R64 IonicContact OE2-NH1 3.61Å; E36-R64 PolarHBondContact OE2-NH1 3.15Å; Y58-R64 HydrophobicContact CD2-CG 4.25Å; Y58-R64 HydrophobicContact CE2-CG 4.11Å; Y58-R64 WeakPolarHBondContact O-CB 3.35Å; Y58-R64 VanDerWaalsContact O-CD 3.26Å; Y58-R64 WeakPolarHBondContact O-CD 3.29Å; C60-R64 PolarHBondContact O-N 3.12Å; R61-R64 PolarHBondContact O-N 3.47Å; R64-I67 PolarHBondContact O-N 2.85Å; R64-L68 HydrophobicContact CG-CD1 3.93Å; R64-L68 HydrophobicContact CG-CG 4.39Å; R64-L68 WeakPolarHBondContact O-CB 3.41Å; R64-L68 VanDerWaalsContact O-CG 3.31Å; R64-L68 WeakPolarHBondContact O-CG 3.46Å; R64-L68 PolarHBondContact O-N 2.79Å; R64-F88 HydrophobicContact CB-CE2 4.49Å; R64-F88 HydrophobicContact CG-CD2 4.34Å
65	E	98.1	Very high	95.1	Very high	120 Å²	120	52.1 Å²	52.1	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-62.5	-44.8	179.7	-73.3	172.5	-171.9	0	0	112.4	R61 F63 I67 L68 A69	R61-E65 WeakPolarHBondContact O-CG 3.48Å; R61-E65 PolarHBondContact O-N 3.38Å; F63-E65 VanDerWaalsContact C-N 3.3Å; F63-E65 PolarHBondContact O-N 3.09Å; E65-I67 PolarHBondContact O-N 3.02Å; E65-L68 PolarHBondContact O-N 3.33Å; E65-A69 VanDerWaalsContact O-CB 3.25Å; E65-A69 WeakPolarHBondContact O-CB 3.24Å; E65-A69 PolarHBondContact O-N 2.87Å
66	K	98.3	Very high	94.1	Very high	84 Å²	84	55.4 Å²	55.4	37%	0.365	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-40.2	176.2	-68.7	-68.3	-174.4	169	0	112.2	P62 F63 A69 Y70 W173 E176 I177	P62-K66 WeakPolarHBondContact O-CG 3.34Å; P62-K66 PolarHBondContact O-N 3.28Å; F63-K66 PolarHBondContact O-N 3.15Å; K66-A69 PolarHBondContact O-N 3.2Å; K66-Y70 VanDerWaalsContact O-CB 3.3Å; K66-Y70 WeakPolarHBondContact O-CB 3.39Å; K66-Y70 PolarHBondContact O-N 3.33Å; K66-W173 HydrophobicContact CB-CD2 3.73Å; K66-W173 HydrophobicContact CB-CE3 3.6Å; K66-W173 HydrophobicContact CB-CG 4.28Å; K66-W173 HydrophobicContact CB-CH2 4.4Å; K66-W173 HydrophobicContact CB-CZ2 4.46Å; K66-W173 HydrophobicContact CB-CZ3 3.97Å; K66-W173 HydrophobicContact CD-CB 3.88Å; K66-W173 HydrophobicContact CD-CD2 4.36Å; K66-W173 HydrophobicContact CD-CG 3.99Å; K66-W173 HydrophobicContact CG-CB 4.19Å; K66-W173 HydrophobicContact CG-CD2 4.02Å; K66-W173 HydrophobicContact CG-CE3 3.92Å; K66-W173 HydrophobicContact CG-CG 4.15Å; K66-E176 IonicContact NZ-OE2 3.71Å; K66-I177 HydrophobicContact CG-CD1 4.01Å
67	I	98.1	Very high	93.6	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-44.5	176.9	-67.9	-67.8	0	0	0	111.4	F63 R64 E65 Y70 R71 L81 L84 A85 F88 W173	F63-I67 HydrophobicContact CD1-CG1 4.05Å; F63-I67 HydrophobicContact CE1-CD1 4.21Å; F63-I67 HydrophobicContact CE1-CG1 3.72Å; F63-I67 HydrophobicContact CE2-CD1 4.34Å; F63-I67 HydrophobicContact CE2-CG1 4.31Å; F63-I67 HydrophobicContact CG-CG1 4.48Å; F63-I67 HydrophobicContact CZ-CD1 3.9Å; F63-I67 HydrophobicContact CZ-CG1 3.88Å; F63-I67 WeakPolarHBondContact O-CG1 3.45Å; F63-I67 PolarHBondContact O-N 3.27Å; R64-I67 PolarHBondContact O-N 2.85Å; E65-I67 PolarHBondContact O-N 3.02Å; I67-Y70 WeakPolarHBondContact O-CB 3.29Å; I67-Y70 PolarHBondContact O-N 2.82Å; I67-R71 PolarHBondContact O-N 2.86Å; I67-L81 HydrophobicContact CD1-CD1 3.51Å; I67-L84 HydrophobicContact CD1-CD2 3.82Å; I67-L84 HydrophobicContact CD1-CG 4.34Å; I67-L84 HydrophobicContact CG1-CD2 4.47Å; I67-L84 HydrophobicContact CG2-CG 4.5Å; I67-A85 HydrophobicContact CG2-CB 4.02Å; I67-F88 HydrophobicContact CB-CD2 3.82Å; I67-F88 HydrophobicContact CB-CE2 4.36Å; I67-F88 HydrophobicContact CG1-CD2 4.23Å; I67-F88 HydrophobicContact CG1-CE2 4.29Å; I67-F88 HydrophobicContact CG2-CB 3.77Å; I67-F88 HydrophobicContact CG2-CD2 3.52Å; I67-F88 HydrophobicContact CG2-CE2 4.34Å; I67-F88 HydrophobicContact CG2-CG 3.8Å; I67-W173 HydrophobicContact CD1-CH2 3.58Å; I67-W173 HydrophobicContact CD1-CZ2 4.19Å; I67-W173 HydrophobicContact CG1-CH2 4.2Å
68	L	97.3	Very high	93.4	Very high	44 Å²	44	69.9 Å²	69.9	23%	0.23	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-40.1	176.6	-69.5	175.2	0	0	0	111.7	R64 E65 Y70 R71 S72 F88 H89 A92	R64-L68 HydrophobicContact CG-CD1 3.93Å; R64-L68 HydrophobicContact CG-CG 4.39Å; R64-L68 WeakPolarHBondContact O-CB 3.41Å; R64-L68 VanDerWaalsContact O-CG 3.31Å; R64-L68 WeakPolarHBondContact O-CG 3.46Å; R64-L68 PolarHBondContact O-N 2.79Å; E65-L68 PolarHBondContact O-N 3.33Å; L68-Y70 VanDerWaalsContact C-N 3.34Å; L68-R71 WeakPolarHBondContact O-CB 3.33Å; L68-R71 PolarHBondContact O-N 2.77Å; L68-S72 PolarHBondContact O-N 2.83Å; L68-S72 PolarHBondContact O-OG 3.12Å; L68-F88 HydrophobicContact CD2-CB 4.23Å; L68-H89 HydrophobicContact CD2-CB 4.12Å; L68-A92 HydrophobicContact CD1-CB 4.23Å; L68-A92 HydrophobicContact CD2-CB 4.14Å
69	A	96.9	Very high	93.2	Very high	54 Å²	54	70.7 Å²	70.7	45%	0.446	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-39.9	174.4	0	0	0	0	0	111.9	E65 K66 R71 S72	E65-A69 VanDerWaalsContact O-CB 3.25Å; E65-A69 WeakPolarHBondContact O-CB 3.24Å; E65-A69 PolarHBondContact O-N 2.87Å; K66-A69 PolarHBondContact O-N 3.2Å; A69-R71 VanDerWaalsContact C-N 3.29Å; A69-R71 PolarHBondContact O-N 3.23Å; A69-S72 PolarHBondContact O-N 2.81Å
70	Y	95.4	Very high	93.1	Very high	10 Å²	10	70.1 Å²	70.1	4%	0.039	34%	0.335	C	S	.	.	H	α-helix	trans	-59.8	-40.1	173.4	-179.8	-88	0	0	0	111.3	K66 I67 L68 S72 Q73 L81 T82 A85 L140 E143	K66-Y70 VanDerWaalsContact O-CB 3.3Å; K66-Y70 WeakPolarHBondContact O-CB 3.39Å; K66-Y70 PolarHBondContact O-N 3.33Å; I67-Y70 WeakPolarHBondContact O-CB 3.29Å; I67-Y70 PolarHBondContact O-N 2.82Å; L68-Y70 VanDerWaalsContact C-N 3.34Å; Y70-S72 VanDerWaalsContact C-N 3.26Å; Y70-S72 PolarHBondContact O-N 2.98Å; Y70-Q73 WeakPolarHBondContact O-CB 3.36Å; Y70-Q73 PolarHBondContact O-N 3.43Å; Y70-L81 HydrophobicContact CD1-CD1 4.35Å; Y70-L81 HydrophobicContact CD1-CD2 4.39Å; Y70-L81 HydrophobicContact CD1-CG 4.05Å; Y70-L81 HydrophobicContact CD2-CD2 4.02Å; Y70-L81 HydrophobicContact CE1-CD1 4.41Å; Y70-L81 HydrophobicContact CE1-CD2 3.92Å; Y70-L81 HydrophobicContact CE1-CG 3.63Å; Y70-L81 HydrophobicContact CE2-CD2 3.45Å; Y70-L81 VanDerWaalsContact CE2-CD2 3.45Å; Y70-L81 HydrophobicContact CE2-CG 4.13Å; Y70-L81 HydrophobicContact CG-CD2 4.45Å; Y70-L81 HydrophobicContact CG-CG 4.5Å; Y70-L81 VanDerWaalsContact CZ-CD2 3.42Å; Y70-T82 HydrophobicContact CE1-CG2 3.99Å; Y70-A85 HydrophobicContact CD1-CB 3.95Å; Y70-L140 HydrophobicContact CD2-CD2 4.22Å; Y70-L140 HydrophobicContact CE2-CD2 4.07Å; Y70-E143 PolarHBondContact OH-OE1 3.27Å
71	R	93.9	Very high	93.1	Very high	81 Å²	81	70.1 Å²	70.1	31%	0.306	34%	0.335	S	S	.	.	H	α-helix	trans	-64	-28.8	178.5	-172.8	49	-175	71.3	4.5	114.2	I67 L68 A69 Q73 A85 D86 H89	I67-R71 PolarHBondContact O-N 2.86Å; L68-R71 WeakPolarHBondContact O-CB 3.33Å; L68-R71 PolarHBondContact O-N 2.77Å; A69-R71 VanDerWaalsContact C-N 3.29Å; A69-R71 PolarHBondContact O-N 3.23Å; R71-Q73 PolarHBondContact O-N 3.22Å; R71-A85 HydrophobicContact CB-CB 3.99Å; R71-A85 HydrophobicContact CG-CB 4.5Å; R71-D86 IonicContact CZ-OD1 3.56Å; R71-D86 IonicContact NE-OD1 2.6Å; R71-D86 PolarHBondContact NE-OD1 3.48Å; R71-D86 IonicContact NH2-OD1 3.65Å; R71-D86 PolarHBondContact NH2-OD1 3.26Å; R71-H89 HydrophobicContact CG-CB 3.88Å
72	S	90.8	Very high	93.1	Very high	103 Å²	103	66.6 Å²	66.6	72%	0.72	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-10.6	179.6	-60.9	0	0	0	0	113.4	L68 A69 Y70	L68-S72 PolarHBondContact O-N 2.83Å; L68-S72 PolarHBondContact O-OG 3.12Å; A69-S72 PolarHBondContact O-N 2.81Å; Y70-S72 VanDerWaalsContact C-N 3.26Å; Y70-S72 PolarHBondContact O-N 2.98Å
73	Q	89.2	Confident	93	Very high	82 Å²	82	65.8 Å²	65.8	38%	0.383	32%	0.319	S	S	.	.	S	Bend	trans	-75.4	159.7	177.1	-59.8	179	15.3	0	0	111.2	Y70 R71	Y70-Q73 WeakPolarHBondContact O-CB 3.36Å; Y70-Q73 PolarHBondContact O-N 3.43Å; R71-Q73 PolarHBondContact O-N 3.22Å
74	P	84	Confident	93	Very high	112 Å²	112	65.8 Å²	65.8	73%	0.727	32%	0.319	S	S	*	.	S	Bend	trans	-53.3	144	-179.8	-24.4	33	0	0	0	112.2	R76	P74-R76 VanDerWaalsContact O-CG 3.23Å; P74-R76 WeakPolarHBondContact O-CG 3.16Å; P74-R76 PolarHBondContact O-N 2.79Å; P74-R76 VanDerWaalsContact O-N 3.12Å
75	R	69.4	Low	93	Very high	240 Å²	240	64.5 Å²	64.5	91%	0.906	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-54.8	117.3	-171.1	-137.5	179.6	-173.1	157.8	1.7	111.2
76	R	79	Confident	93	Very high	75 Å²	75	61.5 Å²	61.5	28%	0.283	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-96.9	167.6	-179.9	-57.8	-170.2	171.7	178.9	-10.8	111.3	P74 T82 E143 E147	P74-R76 VanDerWaalsContact O-CG 3.23Å; P74-R76 WeakPolarHBondContact O-CG 3.16Å; P74-R76 PolarHBondContact O-N 2.79Å; P74-R76 VanDerWaalsContact O-N 3.12Å; R76-T82 HydrophobicContact CB-CG2 4.29Å; R76-E143 VanDerWaalsContact CD-OE1 3.28Å; R76-E143 WeakPolarHBondContact CD-OE1 3.32Å; R76-E143 IonicContact CZ-OE1 3.91Å; R76-E143 IonicContact CZ-OE2 2.75Å; R76-E143 IonicContact NE-OE1 3.73Å; R76-E143 IonicContact NH1-OE1 2.65Å; R76-E143 PolarHBondContact NH1-OE1 3.43Å; R76-E143 IonicContact NH1-OE2 3.95Å; R76-E143 PolarHBondContact NH1-OE2 3.42Å; R76-E147 IonicContact NH2-OE1 3.45Å
77	K	88.4	Confident	93	Very high	187 Å²	187	58 Å²	58	81%	0.813	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-58	137.5	172.3	-175.4	-179.9	177.6	-174.7	0	109.5	N79	K77-N79 PolarHBondContact O-N 3.01Å
78	E	93.1	Very high	93	Very high	117 Å²	117	58.1 Å²	58.1	55%	0.547	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-64	125.7	-179.8	-170.4	-172.5	94.4	0	0	111.7	T82 R109	E78-T82 WeakPolarHBondContact CA-OG1 3.39Å; E78-R109 PolarHBondContact O-NH1 3.44Å; E78-R109 IonicContact OE1-NH1 3.76Å
79	N	95.3	Very high	93.1	Very high	20 Å²	20	59.3 Å²	59.3	11%	0.107	29%	0.292	C	S	.	.			trans	-149.9	175.2	175.4	62	36.2	0	0	0	110.2	K77 L81 T82 C83 L139	K77-N79 PolarHBondContact O-N 3.01Å; N79-L81 VanDerWaalsContact C-N 3.29Å; N79-L81 PolarHBondContact O-N 2.81Å; N79-L81 WeakPolarHBondContact OD1-CB 3.4Å; N79-L81 PolarHBondContact OD1-N 3Å; N79-L81 VanDerWaalsContact OD1-N 3.15Å; N79-T82 PolarHBondContact N-OG1 3.11Å; N79-T82 PolarHBondContact O-N 3.13Å; N79-T82 VanDerWaalsContact O-N 3.14Å; N79-T82 PolarHBondContact O-OG1 2.91Å; N79-T82 WeakPolarHBondContact OD1-CG2 3.49Å; N79-T82 PolarHBondContact OD1-N 2.89Å; N79-T82 PolarHBondContact OD1-OG1 2.87Å; N79-C83 PolarHBondContact O-N 3.35Å; N79-C83 PolarHBondContact O-SG 3.28Å; N79-L139 HydrophobicContact CB-CD1 4.14Å; N79-L139 HydrophobicContact CB-CD2 4.2Å
80	L	97.1	Very high	93.1	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-55.4	-40.4	-178.9	-168.4	65.8	0	0	0	113.7	C83 L84 F106 R109 L110 E113 Y131 L132 T135	L80-C83 PolarHBondContact O-N 3.39Å; L80-L84 PolarHBondContact O-N 2.99Å; L80-F106 HydrophobicContact CD1-CD2 3.99Å; L80-F106 HydrophobicContact CD1-CE1 4.5Å; L80-F106 HydrophobicContact CD1-CE2 3.49Å; L80-F106 VanDerWaalsContact CD1-CE2 3.49Å; L80-F106 HydrophobicContact CD1-CZ 3.79Å; L80-F106 HydrophobicContact CG-CE2 3.93Å; L80-F106 HydrophobicContact CG-CZ 4.32Å; L80-R109 HydrophobicContact CB-CG 4.44Å; L80-R109 HydrophobicContact CD1-CB 4.42Å; L80-R109 HydrophobicContact CD1-CG 4.24Å; L80-L110 HydrophobicContact CD1-CB 4.12Å; L80-L110 HydrophobicContact CD2-CD1 4.49Å; L80-E113 VanDerWaalsContact CB-OE2 3.3Å; L80-E113 WeakPolarHBondContact CB-OE2 3.38Å; L80-E113 PolarHBondContact N-OE1 2.85Å; L80-Y131 HydrophobicContact CD2-CE1 3.79Å; L80-L132 HydrophobicContact CD2-CD1 3.73Å; L80-L132 HydrophobicContact CG-CD1 4.14Å; L80-T135 HydrophobicContact CB-CG2 4.44Å; L80-T135 HydrophobicContact CD2-CG2 4Å
81	L	97.6	Very high	93.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-43.9	177	174.2	55.9	0	0	0	112.1	I67 Y70 N79 C83 L84 A85 I136 L139 L140 W173	I67-L81 HydrophobicContact CD1-CD1 3.51Å; Y70-L81 HydrophobicContact CD1-CD1 4.35Å; Y70-L81 HydrophobicContact CD1-CD2 4.39Å; Y70-L81 HydrophobicContact CD1-CG 4.05Å; Y70-L81 HydrophobicContact CD2-CD2 4.02Å; Y70-L81 HydrophobicContact CE1-CD1 4.41Å; Y70-L81 HydrophobicContact CE1-CD2 3.92Å; Y70-L81 HydrophobicContact CE1-CG 3.63Å; Y70-L81 HydrophobicContact CE2-CD2 3.45Å; Y70-L81 VanDerWaalsContact CE2-CD2 3.45Å; Y70-L81 HydrophobicContact CE2-CG 4.13Å; Y70-L81 HydrophobicContact CG-CD2 4.45Å; Y70-L81 HydrophobicContact CG-CG 4.5Å; Y70-L81 VanDerWaalsContact CZ-CD2 3.42Å; N79-L81 VanDerWaalsContact C-N 3.29Å; N79-L81 PolarHBondContact O-N 2.81Å; N79-L81 WeakPolarHBondContact OD1-CB 3.4Å; N79-L81 PolarHBondContact OD1-N 3Å; N79-L81 VanDerWaalsContact OD1-N 3.15Å; L81-C83 VanDerWaalsContact C-N 3.32Å; L81-C83 PolarHBondContact O-N 3.31Å; L81-L84 PolarHBondContact O-N 3.46Å; L81-A85 VanDerWaalsContact O-CB 3.3Å; L81-A85 WeakPolarHBondContact O-CB 3.46Å; L81-A85 PolarHBondContact O-N 3.21Å; L81-I136 HydrophobicContact CB-CG1 4.41Å; L81-I136 HydrophobicContact CD1-CD1 4.46Å; L81-I136 HydrophobicContact CD1-CG1 4.18Å; L81-I136 HydrophobicContact CD1-CG2 3.84Å; L81-I136 HydrophobicContact CD2-CG2 4.14Å; L81-I136 HydrophobicContact CG-CG2 4.47Å; L81-L139 HydrophobicContact CB-CD1 3.77Å; L81-L140 HydrophobicContact CD2-CD2 3.91Å; L81-L140 HydrophobicContact CD2-CG 4.1Å; L81-W173 HydrophobicContact CD1-CZ2 4.37Å
82	T	96.9	Very high	93.4	Very high	19 Å²	19	56 Å²	56	12%	0.117	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-36.9	175.5	59.2	0	0	0	0	112.2	Y70 R76 E78 N79 A85 D86	Y70-T82 HydrophobicContact CE1-CG2 3.99Å; R76-T82 HydrophobicContact CB-CG2 4.29Å; E78-T82 WeakPolarHBondContact CA-OG1 3.39Å; N79-T82 PolarHBondContact N-OG1 3.11Å; N79-T82 PolarHBondContact O-N 3.13Å; N79-T82 VanDerWaalsContact O-N 3.14Å; N79-T82 PolarHBondContact O-OG1 2.91Å; N79-T82 WeakPolarHBondContact OD1-CG2 3.49Å; N79-T82 PolarHBondContact OD1-N 2.89Å; N79-T82 PolarHBondContact OD1-OG1 2.87Å; T82-A85 PolarHBondContact O-N 2.84Å; T82-D86 WeakPolarHBondContact O-CB 3.36Å; T82-D86 PolarHBondContact O-N 2.78Å
83	C	98.1	Very high	93.6	Very high	6 Å²	6	55.9 Å²	55.9	4%	0.041	27%	0.272	C	S	.	.	H	α-helix	trans	-67.2	-38.9	175.4	-65.7	0	0	0	0	112	N79 L80 L81 L87 F106 R109	N79-C83 PolarHBondContact O-N 3.35Å; N79-C83 PolarHBondContact O-SG 3.28Å; L80-C83 PolarHBondContact O-N 3.39Å; L81-C83 VanDerWaalsContact C-N 3.32Å; L81-C83 PolarHBondContact O-N 3.31Å; C83-L87 WeakPolarHBondContact O-CB 3.4Å; C83-L87 PolarHBondContact O-N 3.48Å; C83-F106 HydrophobicContact CB-CB 4.46Å; C83-F106 HydrophobicContact CB-CD2 4.12Å; C83-R109 HydrophobicContact CB-CB 4.47Å
84	L	98.5	Very high	94	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-44	173.7	-177	60.7	0	0	0	111.1	L54 F63 I67 L80 L81 L87 F88 F106 L132 I136	L54-L84 HydrophobicContact CD2-CD1 3.44Å; L54-L84 VanDerWaalsContact CD2-CD1 3.44Å; F63-L84 HydrophobicContact CE1-CD2 4.17Å; F63-L84 HydrophobicContact CZ-CD2 4.01Å; I67-L84 HydrophobicContact CD1-CD2 3.82Å; I67-L84 HydrophobicContact CD1-CG 4.34Å; I67-L84 HydrophobicContact CG1-CD2 4.47Å; I67-L84 HydrophobicContact CG2-CG 4.5Å; L80-L84 PolarHBondContact O-N 2.99Å; L81-L84 PolarHBondContact O-N 3.46Å; L84-L87 WeakPolarHBondContact O-CB 3.5Å; L84-L87 PolarHBondContact O-N 2.77Å; L84-F88 HydrophobicContact CD1-CD1 3.86Å; L84-F88 HydrophobicContact CD1-CE1 3.54Å; L84-F88 HydrophobicContact CD1-CZ 4.1Å; L84-F88 HydrophobicContact CG-CD1 4.43Å; L84-F88 HydrophobicContact CG-CE1 4.36Å; L84-F88 PolarHBondContact O-N 3.41Å; L84-F106 HydrophobicContact CB-CD2 4.13Å; L84-F106 HydrophobicContact CB-CE2 3.86Å; L84-F106 HydrophobicContact CD1-CD2 4.45Å; L84-F106 HydrophobicContact CD1-CE2 4.05Å; L84-F106 HydrophobicContact CG-CE2 4.48Å; L84-L132 HydrophobicContact CD2-CD1 4.45Å; L84-I136 HydrophobicContact CD2-CD1 3.6Å
85	A	98.1	Very high	94.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-41.4	178.3	0	0	0	0	0	112.3	I67 Y70 R71 L81 T82 H89	I67-A85 HydrophobicContact CG2-CB 4.02Å; Y70-A85 HydrophobicContact CD1-CB 3.95Å; R71-A85 HydrophobicContact CB-CB 3.99Å; R71-A85 HydrophobicContact CG-CB 4.5Å; L81-A85 VanDerWaalsContact O-CB 3.3Å; L81-A85 WeakPolarHBondContact O-CB 3.46Å; L81-A85 PolarHBondContact O-N 3.21Å; T82-A85 PolarHBondContact O-N 2.84Å; A85-H89 WeakPolarHBondContact O-CB 3.31Å; A85-H89 PolarHBondContact O-N 3.32Å
86	D	97.8	Very high	95.6	Very high	57 Å²	57	57.6 Å²	57.6	31%	0.305	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-42.2	170.9	-86.5	-21.2	0	0	0	111.9	R71 T82 S90	R71-D86 IonicContact CZ-OD1 3.56Å; R71-D86 IonicContact NE-OD1 2.6Å; R71-D86 PolarHBondContact NE-OD1 3.48Å; R71-D86 IonicContact NH2-OD1 3.65Å; R71-D86 PolarHBondContact NH2-OD1 3.26Å; T82-D86 WeakPolarHBondContact O-CB 3.36Å; T82-D86 PolarHBondContact O-N 2.78Å; D86-S90 VanDerWaalsContact O-CB 3.25Å; D86-S90 WeakPolarHBondContact O-CB 3.19Å; D86-S90 PolarHBondContact O-N 3.31Å
87	L	98.6	Very high	96.3	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-51.3	178.4	178	61.3	0	0	0	111.6	L41 L54 C83 L84 H89 S90 I91 I101 P103 F106	L41-L87 HydrophobicContact CD2-CD1 4.18Å; L54-L87 HydrophobicContact CD1-CD2 3.9Å; C83-L87 WeakPolarHBondContact O-CB 3.4Å; C83-L87 PolarHBondContact O-N 3.48Å; L84-L87 WeakPolarHBondContact O-CB 3.5Å; L84-L87 PolarHBondContact O-N 2.77Å; L87-H89 VanDerWaalsContact C-N 3.32Å; L87-H89 PolarHBondContact O-N 2.82Å; L87-S90 WeakPolarHBondContact O-CA 3.47Å; L87-S90 WeakPolarHBondContact O-CB 3.37Å; L87-S90 PolarHBondContact O-N 2.9Å; L87-S90 VanDerWaalsContact O-N 3.09Å; L87-I91 HydrophobicContact CD1-CD1 4.42Å; L87-I91 HydrophobicContact CG-CD1 4.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.32Å; L87-I91 PolarHBondContact O-N 3.32Å; L87-I101 HydrophobicContact CD1-CG2 3.78Å; L87-P103 HydrophobicContact CD1-CB 4.19Å; L87-P103 HydrophobicContact CD2-CB 4.01Å; L87-F106 HydrophobicContact CD2-CB 4.47Å
88	F	98.6	Very high	96.7	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-41.3	179.8	-84	27.2	0	0	0	111.5	L57 Y58 F63 R64 I67 L68 L84 S90 I91 A92	L57-F88 HydrophobicContact CB-CZ 4.33Å; Y58-F88 HydrophobicContact CD2-CB 4.28Å; Y58-F88 AromaticContact CD2-CD1 3.79Å; Y58-F88 HydrophobicContact CD2-CD1 3.79Å; Y58-F88 AromaticContact CD2-CD2 3.76Å; Y58-F88 HydrophobicContact CD2-CD2 3.76Å; Y58-F88 AromaticContact CD2-CE1 3.96Å; Y58-F88 HydrophobicContact CD2-CE1 3.96Å; Y58-F88 AromaticContact CD2-CE2 3.94Å; Y58-F88 HydrophobicContact CD2-CE2 3.94Å; Y58-F88 AromaticContact CD2-CG 3.68Å; Y58-F88 HydrophobicContact CD2-CG 3.68Å; Y58-F88 HydrophobicContact CD2-CZ 4.04Å; Y58-F88 HydrophobicContact CE2-CB 4.26Å; Y58-F88 HydrophobicContact CE2-CD2 4.37Å; Y58-F88 HydrophobicContact CE2-CG 4.16Å; Y58-F88 HydrophobicContact CG-CZ 4.43Å; F63-F88 AromaticContact CD1-CE2 3.96Å; F63-F88 HydrophobicContact CD1-CE2 3.96Å; F63-F88 HydrophobicContact CD1-CZ 4.41Å; F63-F88 AromaticContact CE1-CE2 3.96Å; F63-F88 HydrophobicContact CE1-CE2 3.96Å; F63-F88 HydrophobicContact CE1-CZ 4.14Å; R64-F88 HydrophobicContact CB-CE2 4.49Å; R64-F88 HydrophobicContact CG-CD2 4.34Å; I67-F88 HydrophobicContact CB-CD2 3.82Å; I67-F88 HydrophobicContact CB-CE2 4.36Å; I67-F88 HydrophobicContact CG1-CD2 4.23Å; I67-F88 HydrophobicContact CG1-CE2 4.29Å; I67-F88 HydrophobicContact CG2-CB 3.77Å; I67-F88 HydrophobicContact CG2-CD2 3.52Å; I67-F88 HydrophobicContact CG2-CE2 4.34Å; I67-F88 HydrophobicContact CG2-CG 3.8Å; L68-F88 HydrophobicContact CD2-CB 4.23Å; L84-F88 HydrophobicContact CD1-CD1 3.86Å; L84-F88 HydrophobicContact CD1-CE1 3.54Å; L84-F88 HydrophobicContact CD1-CZ 4.1Å; L84-F88 HydrophobicContact CG-CD1 4.43Å; L84-F88 HydrophobicContact CG-CE1 4.36Å; L84-F88 PolarHBondContact O-N 3.41Å; F88-S90 VanDerWaalsContact C-N 3.33Å; F88-I91 PolarHBondContact O-N 3.42Å; F88-A92 WeakPolarHBondContact O-CB 3.45Å; F88-A92 PolarHBondContact O-N 3.22Å
89	H	97.6	Very high	96.9	Very high	69 Å²	69	46 Å²	46	32%	0.319	23%	0.227	S	C	.	.	H	α-helix	trans	-63.8	-39.2	174.1	-177.2	83.6	0	0	0	111.9	L68 R71 A85 L87 I91 A92 N93	L68-H89 HydrophobicContact CD2-CB 4.12Å; R71-H89 HydrophobicContact CG-CB 3.88Å; A85-H89 WeakPolarHBondContact O-CB 3.31Å; A85-H89 PolarHBondContact O-N 3.32Å; L87-H89 VanDerWaalsContact C-N 3.32Å; L87-H89 PolarHBondContact O-N 2.82Å; H89-I91 VanDerWaalsContact C-N 3.31Å; H89-I91 PolarHBondContact O-N 3.48Å; H89-A92 PolarHBondContact O-N 3.47Å; H89-N93 PolarHBondContact CE1-ND2 3.4Å; H89-N93 PolarHBondContact ND1-ND2 2.77Å; H89-N93 VanDerWaalsContact ND1-ND2 3.14Å; H89-N93 WeakPolarHBondContact O-CB 3.49Å; H89-N93 PolarHBondContact O-N 3.33Å; H89-N93 VanDerWaalsContact O-N 3.12Å; H89-N93 PolarHBondContact O-ND2 2.82Å
90	S	97.8	Very high	97.1	Very high	48 Å²	48	48.3 Å²	48.3	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-65.1	-31.9	175.8	-175.6	0	0	0	0	112.9	D86 L87 F88 Q94	D86-S90 VanDerWaalsContact O-CB 3.25Å; D86-S90 WeakPolarHBondContact O-CB 3.19Å; D86-S90 PolarHBondContact O-N 3.31Å; L87-S90 WeakPolarHBondContact O-CA 3.47Å; L87-S90 WeakPolarHBondContact O-CB 3.37Å; L87-S90 PolarHBondContact O-N 2.9Å; L87-S90 VanDerWaalsContact O-N 3.09Å; F88-S90 VanDerWaalsContact C-N 3.33Å; S90-Q94 VanDerWaalsContact O-CG 3.25Å; S90-Q94 WeakPolarHBondContact O-CG 3.49Å; S90-Q94 PolarHBondContact O-NE2 3.37Å
91	I	97.9	Very high	97.1	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-73	-51	174.3	-62.9	161.6	0	0	0	109.4	H37 F39 Y58 L87 F88 H89 N93 Q94 I101	H37-I91 HydrophobicContact CB-CG2 4.47Å; H37-I91 WeakPolarHBondContact CB-O 3.39Å; F39-I91 HydrophobicContact CB-CG2 4.33Å; F39-I91 HydrophobicContact CD2-CG2 4.49Å; Y58-I91 HydrophobicContact CD2-CD1 4.16Å; Y58-I91 HydrophobicContact CE1-CG2 3.98Å; Y58-I91 HydrophobicContact CE2-CB 3.97Å; Y58-I91 HydrophobicContact CE2-CD1 4.21Å; Y58-I91 HydrophobicContact CE2-CG2 3.95Å; Y58-I91 WeakPolarHBondContact OH-CG2 3.1Å; L87-I91 HydrophobicContact CD1-CD1 4.42Å; L87-I91 HydrophobicContact CG-CD1 4.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.32Å; L87-I91 PolarHBondContact O-N 3.32Å; F88-I91 PolarHBondContact O-N 3.42Å; H89-I91 VanDerWaalsContact C-N 3.31Å; H89-I91 PolarHBondContact O-N 3.48Å; I91-N93 PolarHBondContact O-N 2.9Å; I91-Q94 PolarHBondContact O-N 3.48Å; I91-I101 HydrophobicContact CB-CD1 4.25Å; I91-I101 HydrophobicContact CG1-CD1 3.63Å
92	A	97.3	Very high	97.2	Very high	23 Å²	23	52 Å²	52	19%	0.19	27%	0.265	C	S	.	.	H	α-helix	trans	-67.1	-18.2	-173.6	0	0	0	0	0	114.8	H37 L68 F88 H89	H37-A92 PolarHBondContact CD2-O 2.9Å; H37-A92 VanDerWaalsContact CD2-O 3.23Å; H37-A92 PolarHBondContact NE2-O 3.31Å; L68-A92 HydrophobicContact CD1-CB 4.23Å; L68-A92 HydrophobicContact CD2-CB 4.14Å; F88-A92 WeakPolarHBondContact O-CB 3.45Å; F88-A92 PolarHBondContact O-N 3.22Å; H89-A92 PolarHBondContact O-N 3.47Å
93	N	96.1	Very high	97.2	Very high	101 Å²	101	51.2 Å²	51.2	54%	0.54	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	21.6	-178	-65.5	-82.1	0	0	0	113	H89 I91	H89-N93 PolarHBondContact CE1-ND2 3.4Å; H89-N93 PolarHBondContact ND1-ND2 2.77Å; H89-N93 VanDerWaalsContact ND1-ND2 3.14Å; H89-N93 WeakPolarHBondContact O-CB 3.49Å; H89-N93 PolarHBondContact O-N 3.33Å; H89-N93 VanDerWaalsContact O-N 3.12Å; H89-N93 PolarHBondContact O-ND2 2.82Å; I91-N93 PolarHBondContact O-N 2.9Å
94	Q	96	Very high	97.2	Very high	63 Å²	63	57 Å²	57	29%	0.294	29%	0.285	S	S	.	.			trans	-65.6	145.5	174.7	-77.8	-63.3	-15	0	0	111.7	H37 F39 S90 I91 R96 I101	H37-Q94 PolarHBondContact CE1-O 2.82Å; H37-Q94 PolarHBondContact ND1-O 2.8Å; F39-Q94 HydrophobicContact CD1-CG 4.15Å; F39-Q94 HydrophobicContact CD2-CB 4.42Å; F39-Q94 HydrophobicContact CD2-CG 4.18Å; F39-Q94 HydrophobicContact CE1-CB 4.14Å; F39-Q94 HydrophobicContact CE1-CG 3.62Å; F39-Q94 HydrophobicContact CE2-CB 3.54Å; F39-Q94 HydrophobicContact CE2-CG 3.67Å; F39-Q94 HydrophobicContact CG-CG 4.42Å; F39-Q94 HydrophobicContact CZ-CB 3.38Å; F39-Q94 HydrophobicContact CZ-CG 3.38Å; S90-Q94 VanDerWaalsContact O-CG 3.25Å; S90-Q94 WeakPolarHBondContact O-CG 3.49Å; S90-Q94 PolarHBondContact O-NE2 3.37Å; I91-Q94 PolarHBondContact O-N 3.48Å; Q94-R96 WeakPolarHBondContact CB-O 3.43Å; Q94-I101 HydrophobicContact CG-CD1 4.09Å
95	K	93.4	Very high	97.1	Very high	212 Å²	212	64 Å²	64	92%	0.922	32%	0.315	S	S	*	.	S	Bend	trans	-73.1	-32.7	173.4	-66	-175.2	179.6	-178.2	0	112.1
96	R	93.9	Very high	97.1	Very high	195 Å²	195	64.2 Å²	64.2	74%	0.736	32%	0.316	S	S	*	.	S	Bend	trans	-89.8	150.2	177.2	-64.5	-176.8	-178.8	-177.2	0.1	109.4	H37 F39 Q94	H37-R96 PolarHBondContact ND1-O 2.84Å; F39-R96 VanDerWaalsContact CE2-O 3.29Å; F39-R96 WeakPolarHBondContact CE2-O 3.38Å; F39-R96 HydrophobicContact CZ-CB 4.22Å; F39-R96 WeakPolarHBondContact CZ-O 3.32Å; Q94-R96 WeakPolarHBondContact CB-O 3.43Å
97	K	94.9	Very high	97.2	Very high	89 Å²	89	61.7 Å²	61.7	39%	0.387	30%	0.303	S	S	.	.	S	Bend	trans	-74.3	-35.7	175.9	-74.9	-178	171.3	-165.1	0	112.5	E24 F32 H37 Y38	E24-K97 HydrophobicContact CG-CB 4.31Å; F32-K97 HydrophobicContact CD1-CD 3.84Å; F32-K97 HydrophobicContact CE1-CB 3.97Å; F32-K97 HydrophobicContact CE1-CD 3.59Å; F32-K97 HydrophobicContact CE1-CG 3.86Å; F32-K97 HydrophobicContact CE2-CB 4.26Å; F32-K97 HydrophobicContact CE2-CD 4.43Å; F32-K97 HydrophobicContact CG-CD 4.41Å; F32-K97 HydrophobicContact CZ-CB 3.59Å; F32-K97 HydrophobicContact CZ-CD 3.93Å; F32-K97 HydrophobicContact CZ-CG 4.03Å; H37-K97 CarbonylContact C-O 3.59Å; H37-K97 WeakPolarHBondContact CA-O 3.37Å; Y38-K97 PolarHBondContact N-O 2.97Å
98	V	97.1	Very high	97.1	Very high	23 Å²	23	65.7 Å²	65.7	14%	0.139	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.3	-177.5	-177.9	0	0	0	0	110.4	S21 L23 E24 F32 Y38	S21-V98 WeakPolarHBondContact OG-CB 3.5Å; L23-V98 HydrophobicContact CB-CG1 4.22Å; L23-V98 HydrophobicContact CB-CG2 4.33Å; L23-V98 HydrophobicContact CD2-CG1 3.96Å; L23-V98 HydrophobicContact CD2-CG2 3.98Å; L23-V98 HydrophobicContact CG-CG2 4.39Å; E24-V98 HydrophobicContact CG-CG2 3.73Å; F32-V98 HydrophobicContact CE2-CG2 4.18Å; F32-V98 HydrophobicContact CZ-CG2 4.48Å; Y38-V98 VanDerWaalsContact O-CA 3.27Å; Y38-V98 WeakPolarHBondContact O-CA 3.34Å
99	G	97.3	Very high	97.1	Very high	24 Å²	24	68 Å²	68	25%	0.247	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-153.5	174.2	0	0	0	0	0	113.9	Y38 F39 G40	Y38-G99 PolarHBondContact O-N 3.1Å; F39-G99 CarbonylContact C-O 3.52Å; F39-G99 VanDerWaalsContact CA-O 3.24Å; F39-G99 WeakPolarHBondContact CA-O 3.36Å; F39-G99 VanDerWaalsContact CE1-CA 3.49Å; G40-G99 PolarHBondContact N-O 3.18Å
100	V	98.3	Very high	97.1	Very high	68 Å²	68	64.8 Å²	64.8	41%	0.412	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.4	-178	-176.1	0	0	0	0	109.5	G40 V42 D336	G40-V100 CarbonylContact O-C 3.59Å; G40-V100 WeakPolarHBondContact O-CA 3.32Å; V42-V100 HydrophobicContact CG2-CG1 3.52Å; V100-D336 HydrophobicContact CB-CB 4.48Å; V100-D336 HydrophobicContact CG1-CB 3.63Å; V100-D336 HydrophobicContact CG2-CB 3.97Å; V100-D336 WeakPolarHBondContact CG2-O 3.35Å
101	I	98.4	Very high	97	Very high	10 Å²	10	64.3 Å²	64.3	5%	0.051	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.6	176.2	-76	163.8	0	0	0	109.9	F39 G40 L41 V42 L87 I91 Q94 P103	F39-I101 HydrophobicContact CB-CD1 3.99Å; F39-I101 HydrophobicContact CB-CG1 4.38Å; F39-I101 HydrophobicContact CD1-CD1 3.77Å; F39-I101 HydrophobicContact CD1-CG1 3.76Å; F39-I101 HydrophobicContact CG-CD1 3.93Å; F39-I101 HydrophobicContact CG-CG1 4.33Å; G40-I101 PolarHBondContact O-N 3.49Å; L41-I101 WeakPolarHBondContact CA-O 3.44Å; L41-I101 HydrophobicContact CD2-CB 4.33Å; L41-I101 HydrophobicContact CD2-CG2 4.38Å; V42-I101 PolarHBondContact N-O 3.13Å; V42-I101 VanDerWaalsContact N-O 3.12Å; L87-I101 HydrophobicContact CD1-CG2 3.78Å; I91-I101 HydrophobicContact CB-CD1 4.25Å; I91-I101 HydrophobicContact CG1-CD1 3.63Å; Q94-I101 HydrophobicContact CG-CD1 4.09Å; I101-P103 WeakPolarHBondContact O-CD 3.25Å
102	P	98.3	Very high	97	Very high	67 Å²	67	71.9 Å²	71.9	44%	0.435	35%	0.345	S	S	.	.			trans	-84.9	110.3	171.3	30.3	-31	0	0	0	111.2	V42 F44 K104	V42-P102 HydrophobicContact CB-CB 4.35Å; V42-P102 HydrophobicContact CG2-CB 4.02Å; F44-P102 HydrophobicContact CE2-CB 4.36Å; F44-P102 HydrophobicContact CZ-CB 3.72Å; P102-K104 HydrophobicContact CB-CD 4.45Å; P102-K104 HydrophobicContact CB-CG 4.18Å; P102-K104 PolarHBondContact O-N 3.13Å
103	P	97.8	Very high	96.9	Very high	3 Å²	3	73.7 Å²	73.7	2%	0.019	35%	0.349	C	S	.	.			trans	-73.8	36.5	178.1	32.4	-39.2	0	0	0	114.3	L41 F44 L87 I101 K105 F106 I107	L41-P103 HydrophobicContact CB-CG 4.24Å; L41-P103 HydrophobicContact CD2-CB 4.43Å; L41-P103 HydrophobicContact CD2-CG 4.36Å; F44-P103 HydrophobicContact CD2-CG 4.41Å; F44-P103 HydrophobicContact CE2-CG 4Å; L87-P103 HydrophobicContact CD1-CB 4.19Å; L87-P103 HydrophobicContact CD2-CB 4.01Å; I101-P103 WeakPolarHBondContact O-CD 3.25Å; P103-K105 PolarHBondContact O-N 3.06Å; P103-F106 PolarHBondContact O-N 2.81Å; P103-F106 VanDerWaalsContact O-N 3.12Å; P103-I107 HydrophobicContact CB-CG1 4.44Å; P103-I107 HydrophobicContact CG-CG1 4.23Å; P103-I107 WeakPolarHBondContact O-CG1 2.98Å; P103-I107 PolarHBondContact O-N 3.03Å
104	K	97.2	Very high	96.9	Very high	126 Å²	126	70.6 Å²	70.6	55%	0.548	33%	0.333	S	S	.	.	H	α-helix	trans	-51.7	-50.7	-172.1	-72.9	178.6	-179.2	-176.9	0	113.1	F44 P102 F106 I107 T108	F44-K104 HydrophobicContact CE1-CD 4.34Å; F44-K104 HydrophobicContact CE1-CG 3.76Å; F44-K104 HydrophobicContact CE2-CG 3.8Å; F44-K104 HydrophobicContact CZ-CB 4.43Å; F44-K104 HydrophobicContact CZ-CD 4.14Å; F44-K104 HydrophobicContact CZ-CG 3.25Å; P102-K104 HydrophobicContact CB-CD 4.45Å; P102-K104 HydrophobicContact CB-CG 4.18Å; P102-K104 PolarHBondContact O-N 3.13Å; K104-F106 VanDerWaalsContact C-N 3.34Å; K104-F106 PolarHBondContact O-N 2.93Å; K104-I107 PolarHBondContact O-N 2.78Å; K104-T108 WeakPolarHBondContact O-CB 3.03Å; K104-T108 PolarHBondContact O-N 3.47Å; K104-T108 PolarHBondContact O-OG1 2.76Å; K104-T108 VanDerWaalsContact O-OG1 3.04Å
105	K	97.7	Very high	96.8	Very high	149 Å²	149	75.9 Å²	75.9	65%	0.648	36%	0.358	S	S	*	.	H	α-helix	trans	-61.4	-43.2	-178.3	-71.3	-173.2	176.2	-175	0	112	P103 R109	P103-K105 PolarHBondContact O-N 3.06Å; K105-R109 WeakPolarHBondContact O-CB 3.46Å; K105-R109 PolarHBondContact O-N 3.48Å
106	F	98.4	Very high	96.8	Very high	3 Å²	3	68.9 Å²	68.9	1%	0.013	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-48	178.5	-177.4	-91.9	0	0	0	111.2	L54 L80 C83 L84 L87 P103 K104 T108 R109 L110 F128 L132	L54-F106 HydrophobicContact CD1-CD1 3.97Å; L54-F106 HydrophobicContact CD1-CE1 3.95Å; L54-F106 HydrophobicContact CD2-CE1 4.08Å; L54-F106 HydrophobicContact CD2-CZ 4.01Å; L54-F106 HydrophobicContact CG-CE1 4.42Å; L80-F106 HydrophobicContact CD1-CD2 3.99Å; L80-F106 HydrophobicContact CD1-CE1 4.5Å; L80-F106 HydrophobicContact CD1-CE2 3.49Å; L80-F106 VanDerWaalsContact CD1-CE2 3.49Å; L80-F106 HydrophobicContact CD1-CZ 3.79Å; L80-F106 HydrophobicContact CG-CE2 3.93Å; L80-F106 HydrophobicContact CG-CZ 4.32Å; C83-F106 HydrophobicContact CB-CB 4.46Å; C83-F106 HydrophobicContact CB-CD2 4.12Å; L84-F106 HydrophobicContact CB-CD2 4.13Å; L84-F106 HydrophobicContact CB-CE2 3.86Å; L84-F106 HydrophobicContact CD1-CD2 4.45Å; L84-F106 HydrophobicContact CD1-CE2 4.05Å; L84-F106 HydrophobicContact CG-CE2 4.48Å; L87-F106 HydrophobicContact CD2-CB 4.47Å; P103-F106 PolarHBondContact O-N 2.81Å; P103-F106 VanDerWaalsContact O-N 3.12Å; K104-F106 VanDerWaalsContact C-N 3.34Å; K104-F106 PolarHBondContact O-N 2.93Å; F106-T108 PolarHBondContact O-N 3.38Å; F106-R109 PolarHBondContact O-N 2.88Å; F106-R109 VanDerWaalsContact O-N 3.17Å; F106-L110 HydrophobicContact CE1-CD2 4.4Å; F106-L110 WeakPolarHBondContact O-CB 3.33Å; F106-L110 PolarHBondContact O-N 3.02Å; F106-F128 HydrophobicContact CE1-CE2 4.21Å; F106-F128 AromaticContact CE1-CZ 3.85Å; F106-F128 HydrophobicContact CE1-CZ 3.85Å; F106-F128 HydrophobicContact CZ-CE2 4.31Å; F106-F128 AromaticContact CZ-CZ 3.99Å; F106-F128 HydrophobicContact CZ-CZ 3.99Å; F106-L132 HydrophobicContact CE2-CD1 4.31Å; F106-L132 HydrophobicContact CZ-CD1 3.99Å
107	I	98	Very high	96.8	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-45.1	178.8	-63.6	-62.9	0	0	0	111.7	F44 T47 C50 P103 K104 R109 L110 R111	F44-I107 HydrophobicContact CD2-CG1 4.12Å; T47-I107 HydrophobicContact CG2-CD1 4.28Å; T47-I107 HydrophobicContact CG2-CG2 4.36Å; C50-I107 HydrophobicContact CB-CD1 4.18Å; C50-I107 VanDerWaalsContact SG-CD1 3.57Å; P103-I107 HydrophobicContact CB-CG1 4.44Å; P103-I107 HydrophobicContact CG-CG1 4.23Å; P103-I107 WeakPolarHBondContact O-CG1 2.98Å; P103-I107 PolarHBondContact O-N 3.03Å; K104-I107 PolarHBondContact O-N 2.78Å; I107-R109 VanDerWaalsContact C-N 3.26Å; I107-R109 PolarHBondContact O-N 2.79Å; I107-L110 PolarHBondContact O-N 3.27Å; I107-R111 WeakPolarHBondContact O-CG 3.36Å; I107-R111 PolarHBondContact O-N 3.28Å
108	T	97.7	Very high	96.9	Very high	96 Å²	96	60.1 Å²	60.1	59%	0.589	30%	0.302	S	S	*	.	H	α-helix	trans	-59.4	-39.9	175.3	-61.8	0	0	0	0	111.5	K104 F106 K112	K104-T108 WeakPolarHBondContact O-CB 3.03Å; K104-T108 PolarHBondContact O-N 3.47Å; K104-T108 PolarHBondContact O-OG1 2.76Å; K104-T108 VanDerWaalsContact O-OG1 3.04Å; F106-T108 PolarHBondContact O-N 3.38Å; T108-K112 WeakPolarHBondContact O-CB 3.35Å; T108-K112 PolarHBondContact O-N 2.76Å; T108-K112 VanDerWaalsContact O-N 3.15Å
109	R	97.9	Very high	96.7	Very high	50 Å²	50	60.9 Å²	60.9	19%	0.189	31%	0.305	C	S	.	.	H	α-helix	trans	-69.6	-44	178.5	-172.2	67	-168.1	-168.4	5.9	112.2	E78 L80 C83 K105 F106 I107 R111 K112 E113	E78-R109 PolarHBondContact O-NH1 3.44Å; E78-R109 IonicContact OE1-NH1 3.76Å; L80-R109 HydrophobicContact CB-CG 4.44Å; L80-R109 HydrophobicContact CD1-CB 4.42Å; L80-R109 HydrophobicContact CD1-CG 4.24Å; C83-R109 HydrophobicContact CB-CB 4.47Å; K105-R109 WeakPolarHBondContact O-CB 3.46Å; K105-R109 PolarHBondContact O-N 3.48Å; F106-R109 PolarHBondContact O-N 2.88Å; F106-R109 VanDerWaalsContact O-N 3.17Å; I107-R109 VanDerWaalsContact C-N 3.26Å; I107-R109 PolarHBondContact O-N 2.79Å; R109-R111 PolarHBondContact O-N 2.89Å; R109-K112 PolarHBondContact O-N 2.81Å; R109-E113 HydrophobicContact CG-CG 4.43Å; R109-E113 IonicContact CZ-OE1 2.93Å; R109-E113 IonicContact NE-OE1 2.73Å; R109-E113 PolarHBondContact NE-OE1 3.19Å; R109-E113 IonicContact NH2-OE1 3.1Å; R109-E113 PolarHBondContact NH2-OE1 3.28Å; R109-E113 PolarHBondContact O-N 2.81Å
110	L	97.8	Very high	96.4	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-55.6	-51.4	176.5	175.6	62.3	0	0	0	111.3	L80 F106 I107 K112 E113 N114 F117 F128 Y131	L80-L110 HydrophobicContact CD1-CB 4.12Å; L80-L110 HydrophobicContact CD2-CD1 4.49Å; F106-L110 HydrophobicContact CE1-CD2 4.4Å; F106-L110 WeakPolarHBondContact O-CB 3.33Å; F106-L110 PolarHBondContact O-N 3.02Å; I107-L110 PolarHBondContact O-N 3.27Å; L110-K112 VanDerWaalsContact C-N 3.29Å; L110-K112 PolarHBondContact O-N 3.12Å; L110-E113 PolarHBondContact O-N 3.48Å; L110-N114 PolarHBondContact O-N 3.1Å; L110-N114 VanDerWaalsContact O-N 3.08Å; L110-F117 HydrophobicContact CD1-CB 4.49Å; L110-F117 HydrophobicContact CD1-CD2 3.64Å; L110-F117 HydrophobicContact CD1-CE2 4.25Å; L110-F117 HydrophobicContact CD1-CG 4.29Å; L110-F117 HydrophobicContact CD2-CB 4.4Å; L110-F117 HydrophobicContact CG-CB 4.09Å; L110-F117 HydrophobicContact CG-CD2 4.15Å; L110-F117 HydrophobicContact CG-CG 4.33Å; L110-F128 HydrophobicContact CD1-CD2 4.19Å; L110-F128 HydrophobicContact CD1-CE2 3.89Å; L110-F128 HydrophobicContact CD2-CD2 3.98Å; L110-F128 HydrophobicContact CD2-CE2 3.61Å; L110-F128 HydrophobicContact CD2-CZ 4.47Å; L110-F128 HydrophobicContact CG-CE2 4.4Å; L110-Y131 HydrophobicContact CD1-CD1 3.96Å; L110-Y131 HydrophobicContact CD1-CE1 3.51Å
111	R	96.8	Very high	96.1	Very high	38 Å²	38	70.2 Å²	70.2	14%	0.143	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-39.6	177.4	-70.8	-170.7	172.1	150.6	1	112.2	I107 R109 F117 D118 N119	I107-R111 WeakPolarHBondContact O-CG 3.36Å; I107-R111 PolarHBondContact O-N 3.28Å; R109-R111 PolarHBondContact O-N 2.89Å; R111-F117 WeakPolarHBondContact CG-O 3.25Å; R111-D118 HydrophobicContact CB-CB 4.23Å; R111-D118 WeakPolarHBondContact O-CB 3.22Å; R111-N119 PolarHBondContact NH2-O 3.21Å
112	K	96.7	Very high	95.7	Very high	164 Å²	164	70.5 Å²	70.5	71%	0.713	34%	0.335	S	S	*	.	H	α-helix	trans	-69.5	-33.5	178.5	-172.4	179.1	179.9	179.1	0	113.5	T108 R109 L110	T108-K112 WeakPolarHBondContact O-CB 3.35Å; T108-K112 PolarHBondContact O-N 2.76Å; T108-K112 VanDerWaalsContact O-N 3.15Å; R109-K112 PolarHBondContact O-N 2.81Å; L110-K112 VanDerWaalsContact C-N 3.29Å; L110-K112 PolarHBondContact O-N 3.12Å
113	E	95.4	Very high	95.4	Very high	60 Å²	60	68.3 Å²	68.3	28%	0.28	32%	0.318	S	S	.	.	H	α-helix	trans	-87	-21.6	-176.5	-73.5	-167.5	-176	0	0	113.7	L80 R109 L110 Y131	L80-E113 VanDerWaalsContact CB-OE2 3.3Å; L80-E113 WeakPolarHBondContact CB-OE2 3.38Å; L80-E113 PolarHBondContact N-OE1 2.85Å; R109-E113 HydrophobicContact CG-CG 4.43Å; R109-E113 IonicContact CZ-OE1 2.93Å; R109-E113 IonicContact NE-OE1 2.73Å; R109-E113 PolarHBondContact NE-OE1 3.19Å; R109-E113 IonicContact NH2-OE1 3.1Å; R109-E113 PolarHBondContact NH2-OE1 3.28Å; R109-E113 PolarHBondContact O-N 2.81Å; L110-E113 PolarHBondContact O-N 3.48Å; E113-Y131 WeakPolarHBondContact CB-OH 3.35Å
114	N	95.4	Very high	95.3	Very high	37 Å²	37	70 Å²	70	20%	0.198	33%	0.328	C	S	.	.			trans	-144.3	111.9	-180	-173.3	-13.6	0	0	0	111.7	L110 L116 F117 D118 Y131	L110-N114 PolarHBondContact O-N 3.1Å; L110-N114 VanDerWaalsContact O-N 3.08Å; N114-L116 PolarHBondContact O-N 3.06Å; N114-L116 VanDerWaalsContact O-N 3.17Å; N114-L116 WeakPolarHBondContact OD1-CB 3.16Å; N114-L116 PolarHBondContact OD1-N 3.15Å; N114-F117 HydrophobicContact CB-CD2 3.94Å; N114-F117 HydrophobicContact CB-CE2 4.49Å; N114-F117 WeakPolarHBondContact ND2-CE2 3.33Å; N114-F117 PolarHBondContact O-N 3.16Å; N114-D118 PolarHBondContact O-N 3.27Å; N114-Y131 HydrophobicContact CB-CE1 4.18Å; N114-Y131 HydrophobicContact CB-CE2 3.81Å; N114-Y131 WeakPolarHBondContact ND2-CD2 3.33Å; N114-Y131 WeakPolarHBondContact ND2-CE2 3.34Å
115	E	94.3	Very high	95.3	Very high	174 Å²	174	64 Å²	64	81%	0.813	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-57.7	-28.4	-179.1	-63.9	-176.9	173.6	0	0	113.1	F117 D118	E115-F117 PolarHBondContact O-N 3.45Å; E115-D118 PolarHBondContact O-N 2.98Å
116	L	93.1	Very high	95.3	Very high	65 Å²	65	58.3 Å²	58.3	34%	0.34	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-57.3	-37.8	176	-178.3	74.3	0	0	0	111.8	N114 N119 Q123 E127	N114-L116 PolarHBondContact O-N 3.06Å; N114-L116 VanDerWaalsContact O-N 3.17Å; N114-L116 WeakPolarHBondContact OD1-CB 3.16Å; N114-L116 PolarHBondContact OD1-N 3.15Å; L116-N119 PolarHBondContact O-ND2 2.76Å; L116-Q123 PolarHBondContact O-NE2 2.91Å; L116-E127 HydrophobicContact CD2-CG 3.9Å; L116-E127 WeakPolarHBondContact CD2-OE1 3.21Å
117	F	95.3	Very high	95.2	Very high	1 Å²	1	62.2 Å²	62.2	0%	0.004	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-92.6	-5.8	179	-56.9	-56	0	0	0	112.7	Y49 L110 R111 N114 E115 N119 Q123 E127 F128 Y131	Y49-F117 AromaticContact CE2-CD1 3.91Å; Y49-F117 HydrophobicContact CE2-CD1 3.91Å; Y49-F117 HydrophobicContact CE2-CE1 4.05Å; Y49-F117 WeakPolarHBondContact OH-CD1 3.41Å; L110-F117 HydrophobicContact CD1-CB 4.49Å; L110-F117 HydrophobicContact CD1-CD2 3.64Å; L110-F117 HydrophobicContact CD1-CE2 4.25Å; L110-F117 HydrophobicContact CD1-CG 4.29Å; L110-F117 HydrophobicContact CD2-CB 4.4Å; L110-F117 HydrophobicContact CG-CB 4.09Å; L110-F117 HydrophobicContact CG-CD2 4.15Å; L110-F117 HydrophobicContact CG-CG 4.33Å; R111-F117 WeakPolarHBondContact CG-O 3.25Å; N114-F117 HydrophobicContact CB-CD2 3.94Å; N114-F117 HydrophobicContact CB-CE2 4.49Å; N114-F117 WeakPolarHBondContact ND2-CE2 3.33Å; N114-F117 PolarHBondContact O-N 3.16Å; E115-F117 PolarHBondContact O-N 3.45Å; F117-N119 PolarHBondContact O-N 3.33Å; F117-Q123 HydrophobicContact CD1-CB 4.16Å; F117-Q123 HydrophobicContact CD1-CG 4Å; F117-Q123 HydrophobicContact CE1-CB 4.22Å; F117-E127 HydrophobicContact CZ-CG 4.36Å; F117-F128 HydrophobicContact CE1-CB 4.16Å; F117-F128 HydrophobicContact CE2-CD2 4.45Å; F117-F128 HydrophobicContact CZ-CB 4.06Å; F117-F128 HydrophobicContact CZ-CD2 4.41Å; F117-Y131 HydrophobicContact CD2-CD1 4.19Å; F117-Y131 HydrophobicContact CD2-CE1 4.4Å; F117-Y131 AromaticContact CE2-CD1 3.56Å; F117-Y131 HydrophobicContact CE2-CD1 3.56Å; F117-Y131 HydrophobicContact CE2-CE1 4.19Å; F117-Y131 AromaticContact CE2-CG 3.74Å; F117-Y131 HydrophobicContact CE2-CG 3.74Å
118	D	95.6	Very high	95.2	Very high	98 Å²	98	62 Å²	62	52%	0.524	29%	0.294	S	S	.	.	S	Bend	trans	-80.4	56.3	179.9	-165.1	21.3	0	0	0	113.1	R111 N114 E115	R111-D118 HydrophobicContact CB-CB 4.23Å; R111-D118 WeakPolarHBondContact O-CB 3.22Å; N114-D118 PolarHBondContact O-N 3.27Å; E115-D118 PolarHBondContact O-N 2.98Å
119	N	92.4	Very high	95.2	Very high	40 Å²	40	57.4 Å²	57.4	21%	0.214	27%	0.266	C	S	.	.	S	Bend	trans	-154.3	-179.7	173.8	56.5	74.7	0	0	0	109.8	R111 L116 F117 M121 Q123	R111-N119 PolarHBondContact NH2-O 3.21Å; L116-N119 PolarHBondContact O-ND2 2.76Å; F117-N119 PolarHBondContact O-N 3.33Å; N119-M121 VanDerWaalsContact OD1-CB 3.23Å; N119-M121 WeakPolarHBondContact OD1-CB 3.21Å; N119-M121 PolarHBondContact OD1-N 3.3Å; N119-Q123 PolarHBondContact ND2-NE2 2.9Å; N119-Q123 PolarHBondContact OD1-NE2 2.98Å
120	Y	91.4	Very high	95.3	Very high	167 Å²	167	58 Å²	58	66%	0.655	27%	0.273	S	S	*	.	S	Bend	trans	-104.5	18.6	177.9	-60.7	-84.8	0	0	0	111.9	N46	N46-Y120 PolarHBondContact ND2-O 3.41Å
121	M	91.6	Very high	95.3	Very high	121 Å²	121	60 Å²	60	60%	0.596	28%	0.281	S	S	*	.	S	Bend	trans	-85	156.1	176.4	-54.4	-170	-65.9	0	0	110.4	N119	N119-M121 VanDerWaalsContact OD1-CB 3.23Å; N119-M121 WeakPolarHBondContact OD1-CB 3.21Å; N119-M121 PolarHBondContact OD1-N 3.3Å
122	Q	90.3	Very high	95.4	Very high	16 Å²	16	58.1 Å²	58.1	8%	0.075	27%	0.274	C	S	.	.			trans	-63.4	142.3	165.4	-76.6	-71.4	-15.4	0	0	109.4	N46 C48 G318	N46-Q122 HydrophobicContact CB-CG 3.96Å; N46-Q122 PolarHBondContact OD1-NE2 3.46Å; C48-Q122 PolarHBondContact SG-NE2 2.92Å; C48-Q122 PolarHBondContact SG-OE1 3.24Å; Q122-G318 PolarHBondContact NE2-O 3.16Å
123	Q	93.5	Very high	95.5	Very high	20 Å²	20	50.4 Å²	50.4	9%	0.093	24%	0.24	C	C	.	.			trans	-127	161.6	-177.6	-59.5	-67	-13	0	0	109.8	Y49 L116 F117 N119 A125 Y320	Y49-Q123 WeakPolarHBondContact CB-O 3.43Å; Y49-Q123 HydrophobicContact CD1-CB 3.84Å; Y49-Q123 HydrophobicContact CD1-CG 4.41Å; Y49-Q123 HydrophobicContact CD2-CB 3.92Å; Y49-Q123 HydrophobicContact CE1-CB 3.73Å; Y49-Q123 HydrophobicContact CE1-CG 3.87Å; Y49-Q123 HydrophobicContact CE2-CB 3.81Å; Y49-Q123 HydrophobicContact CE2-CG 4.43Å; Y49-Q123 HydrophobicContact CG-CB 3.94Å; L116-Q123 PolarHBondContact O-NE2 2.91Å; F117-Q123 HydrophobicContact CD1-CB 4.16Å; F117-Q123 HydrophobicContact CD1-CG 4Å; F117-Q123 HydrophobicContact CE1-CB 4.22Å; N119-Q123 PolarHBondContact ND2-NE2 2.9Å; N119-Q123 PolarHBondContact OD1-NE2 2.98Å; Q123-A125 PolarHBondContact O-N 3.41Å; Q123-Y320 WeakPolarHBondContact O-CE2 3.23Å
124	D	94.6	Very high	95.6	Very high	40 Å²	40	50.3 Å²	50.3	21%	0.214	24%	0.242	C	C	.	.			trans	-75.3	123	177.6	-163.5	-40.9	0	0	0	110.5	H126 E127 F128 Y364	D124-H126 PolarHBondContact O-N 2.97Å; D124-H126 VanDerWaalsContact OD1-CB 3.3Å; D124-H126 WeakPolarHBondContact OD1-CB 3.3Å; D124-H126 PolarHBondContact OD1-N 2.89Å; D124-E127 HydrophobicContact CB-CB 3.9Å; D124-E127 PolarHBondContact O-N 3.14Å; D124-F128 PolarHBondContact O-N 3.44Å; D124-Y364 VanDerWaalsContact OD1-CE1 3.25Å; D124-Y364 WeakPolarHBondContact OD1-CE1 3.35Å; D124-Y364 PolarHBondContact OD1-OH 2.65Å; D124-Y364 PolarHBondContact OD2-OH 2.83Å
125	A	97.1	Very high	95.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-30.2	177.8	0	0	0	0	0	112.4	V53 Q123 L129 V308 Y320 Y364 I365	V53-A125 HydrophobicContact CG2-CB 3.88Å; V53-A125 WeakPolarHBondContact CG2-O 3.36Å; Q123-A125 PolarHBondContact O-N 3.41Å; A125-L129 WeakPolarHBondContact O-CB 3.35Å; A125-L129 PolarHBondContact O-N 2.86Å; A125-V308 HydrophobicContact CB-CG1 4.13Å; A125-Y320 HydrophobicContact CB-CD1 3.79Å; A125-Y320 HydrophobicContact CB-CE1 3.47Å; A125-Y320 VanDerWaalsContact CB-CE1 3.47Å; A125-Y320 HydrophobicContact CB-CE2 4.35Å; A125-Y320 HydrophobicContact CB-CG 4.35Å; A125-Y320 PolarHBondContact N-OH 2.98Å; A125-Y364 HydrophobicContact CB-CD1 4.32Å; A125-Y364 HydrophobicContact CB-CE1 4.28Å; A125-I365 HydrophobicContact CB-CD1 4.24Å
126	H	97.4	Very high	95.9	Very high	28 Å²	28	41.2 Å²	41.2	13%	0.13	20%	0.199	C	C	.	.	H	α-helix	trans	-70.9	-42.1	177.2	177.3	-112.2	0	0	0	111.3	D124 F128 L129 N130 D203 S205 H260 Y364 I365	D124-H126 PolarHBondContact O-N 2.97Å; D124-H126 VanDerWaalsContact OD1-CB 3.3Å; D124-H126 WeakPolarHBondContact OD1-CB 3.3Å; D124-H126 PolarHBondContact OD1-N 2.89Å; H126-F128 VanDerWaalsContact C-N 3.33Å; H126-F128 PolarHBondContact O-N 3.09Å; H126-L129 PolarHBondContact O-N 2.7Å; H126-N130 WeakPolarHBondContact O-CB 3.23Å; H126-N130 PolarHBondContact O-N 3.12Å; H126-D203 IonicContact CD2-OD2 3.87Å; H126-D203 IonicContact CE1-OD2 3.82Å; H126-D203 VanDerWaalsContact NE2-CG 3.32Å; H126-D203 IonicContact NE2-OD1 3.9Å; H126-D203 IonicContact NE2-OD2 2.84Å; H126-D203 PolarHBondContact NE2-OD2 2.98Å; H126-S205 PolarHBondContact CE1-OG 3.2Å; H126-H260 VanDerWaalsContact CD2-CB 3.4Å; H126-H260 WeakPolarHBondContact CD2-CB 3.34Å; H126-H260 AromaticContact CD2-CG 3.43Å; H126-H260 VanDerWaalsContact CD2-CG 3.43Å; H126-H260 AromaticContact CD2-ND1 3.69Å; H126-H260 AromaticContact CE1-CE1 3.99Å; H126-H260 AromaticContact CE1-CG 3.96Å; H126-H260 AromaticContact CE1-ND1 3.4Å; H126-H260 PolarHBondContact CE1-ND1 3.33Å; H126-H260 AromaticContact CG-CD2 3.8Å; H126-H260 AromaticContact CG-CE1 3.8Å; H126-H260 AromaticContact CG-CG 3.53Å; H126-H260 AromaticContact CG-ND1 3.55Å; H126-H260 AromaticContact ND1-CE1 3.55Å; H126-H260 AromaticContact ND1-CG 3.88Å; H126-H260 AromaticContact ND1-ND1 3.38Å; H126-H260 PolarHBondContact ND1-ND1 3Å; H126-H260 AromaticContact NE2-CG 3.69Å; H126-H260 AromaticContact NE2-ND1 3.57Å; H126-Y364 HydrophobicContact CB-CE1 3.95Å; H126-I365 HydrophobicContact CB-CD1 4.09Å
127	E	96.6	Very high	96.1	Very high	86 Å²	86	38.2 Å²	38.2	40%	0.402	18%	0.184	S	C	.	.	H	α-helix	trans	-62.3	-41.8	175.1	-172.3	169	-153.7	0	0	111.4	L116 F117 D124 N130 Y131	L116-E127 HydrophobicContact CD2-CG 3.9Å; L116-E127 WeakPolarHBondContact CD2-OE1 3.21Å; F117-E127 HydrophobicContact CZ-CG 4.36Å; D124-E127 HydrophobicContact CB-CB 3.9Å; D124-E127 PolarHBondContact O-N 3.14Å; E127-N130 PolarHBondContact O-N 3.47Å; E127-Y131 VanDerWaalsContact O-CB 3.31Å; E127-Y131 WeakPolarHBondContact O-CB 3.38Å; E127-Y131 PolarHBondContact O-N 3.01Å
128	F	98.3	Very high	96.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.5	-45.5	172.9	172	-114.5	0	0	0	113	Y49 C50 V53 L54 F106 L110 F117 D124 H126 N130 Y131 L132	Y49-F128 HydrophobicContact CD2-CB 3.68Å; Y49-F128 HydrophobicContact CD2-CD1 4.34Å; Y49-F128 HydrophobicContact CD2-CG 4.01Å; Y49-F128 HydrophobicContact CE2-CB 3.75Å; Y49-F128 HydrophobicContact CE2-CD2 4.2Å; Y49-F128 AromaticContact CE2-CG 3.89Å; Y49-F128 HydrophobicContact CE2-CG 3.89Å; C50-F128 HydrophobicContact CB-CD1 4.33Å; C50-F128 HydrophobicContact CB-CE1 4.06Å; C50-F128 HydrophobicContact CB-CZ 4.22Å; C50-F128 WeakPolarHBondContact SG-CZ 3.41Å; V53-F128 HydrophobicContact CB-CD1 3.68Å; V53-F128 HydrophobicContact CB-CE1 3.73Å; V53-F128 HydrophobicContact CG1-CD1 3.75Å; V53-F128 HydrophobicContact CG1-CE1 3.68Å; V53-F128 HydrophobicContact CG2-CD1 4.01Å; L54-F128 HydrophobicContact CG-CE1 4.47Å; F106-F128 HydrophobicContact CE1-CE2 4.21Å; F106-F128 AromaticContact CE1-CZ 3.85Å; F106-F128 HydrophobicContact CE1-CZ 3.85Å; F106-F128 HydrophobicContact CZ-CE2 4.31Å; F106-F128 AromaticContact CZ-CZ 3.99Å; F106-F128 HydrophobicContact CZ-CZ 3.99Å; L110-F128 HydrophobicContact CD1-CD2 4.19Å; L110-F128 HydrophobicContact CD1-CE2 3.89Å; L110-F128 HydrophobicContact CD2-CD2 3.98Å; L110-F128 HydrophobicContact CD2-CE2 3.61Å; L110-F128 HydrophobicContact CD2-CZ 4.47Å; L110-F128 HydrophobicContact CG-CE2 4.4Å; F117-F128 HydrophobicContact CE1-CB 4.16Å; F117-F128 HydrophobicContact CE2-CD2 4.45Å; F117-F128 HydrophobicContact CZ-CB 4.06Å; F117-F128 HydrophobicContact CZ-CD2 4.41Å; D124-F128 PolarHBondContact O-N 3.44Å; H126-F128 VanDerWaalsContact C-N 3.33Å; H126-F128 PolarHBondContact O-N 3.09Å; F128-N130 PolarHBondContact O-N 3.17Å; F128-Y131 PolarHBondContact O-N 2.86Å; F128-L132 HydrophobicContact CE1-CD2 4.22Å; F128-L132 HydrophobicContact CE2-CB 4.31Å; F128-L132 HydrophobicContact CE2-CD2 4.47Å; F128-L132 HydrophobicContact CZ-CB 4.43Å; F128-L132 HydrophobicContact CZ-CD2 3.83Å; F128-L132 VanDerWaalsContact O-CB 3.27Å; F128-L132 WeakPolarHBondContact O-CB 3.5Å; F128-L132 PolarHBondContact O-N 2.9Å
129	L	98.6	Very high	96.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58	-49.4	177.1	173.6	64.7	0	0	0	111.2	V53 L57 A125 H126 L132 L133 A258 I365 F367	V53-L129 HydrophobicContact CG1-CB 4.04Å; V53-L129 HydrophobicContact CG1-CD1 3.89Å; L57-L129 HydrophobicContact CD1-CD1 4.13Å; L57-L129 HydrophobicContact CD2-CD1 4.1Å; L57-L129 HydrophobicContact CG-CD1 4.34Å; A125-L129 WeakPolarHBondContact O-CB 3.35Å; A125-L129 PolarHBondContact O-N 2.86Å; H126-L129 PolarHBondContact O-N 2.7Å; L129-L132 PolarHBondContact O-N 3.26Å; L129-L133 HydrophobicContact CD1-CD1 3.82Å; L129-L133 HydrophobicContact CD1-CG 3.98Å; L129-L133 HydrophobicContact CG-CD1 4.22Å; L129-L133 WeakPolarHBondContact O-CG 3.44Å; L129-L133 PolarHBondContact O-N 2.95Å; L129-A258 HydrophobicContact CD2-CB 4.5Å; L129-I365 HydrophobicContact CD2-CD1 4.11Å; L129-I365 HydrophobicContact CD2-CG2 3.93Å; L129-F367 HydrophobicContact CD1-CE1 4.31Å; L129-F367 HydrophobicContact CD1-CZ 4.03Å; L129-F367 HydrophobicContact CD2-CE1 4.29Å; L129-F367 HydrophobicContact CD2-CZ 3.77Å
130	N	98.1	Very high	96.2	Very high	62 Å²	62	37.7 Å²	37.7	33%	0.332	18%	0.181	S	C	.	.	H	α-helix	trans	-63.1	-45.7	-178.7	-171.1	-81.1	0	0	0	111.1	H126 E127 F128 L132 N134 D203	H126-N130 WeakPolarHBondContact O-CB 3.23Å; H126-N130 PolarHBondContact O-N 3.12Å; E127-N130 PolarHBondContact O-N 3.47Å; F128-N130 PolarHBondContact O-N 3.17Å; N130-L132 PolarHBondContact O-N 3.02Å; N130-N134 WeakPolarHBondContact O-CB 3.45Å; N130-N134 PolarHBondContact O-N 3.03Å; N130-N134 VanDerWaalsContact O-N 3.11Å; N130-N134 PolarHBondContact O-ND2 3.17Å; N130-N134 PolarHBondContact OD1-ND2 3.27Å; N130-D203 PolarHBondContact ND2-OD1 2.69Å
131	Y	98.5	Very high	96.3	Very high	42 Å²	42	31.3 Å²	31.3	17%	0.165	16%	0.157	C	C	.	.	H	α-helix	trans	-58.7	-47.2	174.6	170	-101.4	0	0	0	112.1	L80 L110 E113 N114 F117 E127 F128 T135	L80-Y131 HydrophobicContact CD2-CE1 3.79Å; L110-Y131 HydrophobicContact CD1-CD1 3.96Å; L110-Y131 HydrophobicContact CD1-CE1 3.51Å; E113-Y131 WeakPolarHBondContact CB-OH 3.35Å; N114-Y131 HydrophobicContact CB-CE1 4.18Å; N114-Y131 HydrophobicContact CB-CE2 3.81Å; N114-Y131 WeakPolarHBondContact ND2-CD2 3.33Å; N114-Y131 WeakPolarHBondContact ND2-CE2 3.34Å; F117-Y131 HydrophobicContact CD2-CD1 4.19Å; F117-Y131 HydrophobicContact CD2-CE1 4.4Å; F117-Y131 AromaticContact CE2-CD1 3.56Å; F117-Y131 HydrophobicContact CE2-CD1 3.56Å; F117-Y131 HydrophobicContact CE2-CE1 4.19Å; F117-Y131 AromaticContact CE2-CG 3.74Å; F117-Y131 HydrophobicContact CE2-CG 3.74Å; E127-Y131 VanDerWaalsContact O-CB 3.31Å; E127-Y131 WeakPolarHBondContact O-CB 3.38Å; E127-Y131 PolarHBondContact O-N 3.01Å; F128-Y131 PolarHBondContact O-N 2.86Å; Y131-T135 VanDerWaalsContact CE2-OG1 3.31Å; Y131-T135 WeakPolarHBondContact CE2-OG1 3.26Å; Y131-T135 VanDerWaalsContact O-CB 3.23Å; Y131-T135 WeakPolarHBondContact O-CB 3.38Å; Y131-T135 PolarHBondContact O-N 2.95Å; Y131-T135 PolarHBondContact O-OG1 2.97Å
132	L	98.7	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-48.8	-177.3	-179.9	61.5	0	0	0	111.6	L54 L57 L80 L84 F106 F128 L129 N130 T135 I136	L54-L132 HydrophobicContact CD2-CD2 4.34Å; L57-L132 HydrophobicContact CD1-CD2 3.64Å; L80-L132 HydrophobicContact CD2-CD1 3.73Å; L80-L132 HydrophobicContact CG-CD1 4.14Å; L84-L132 HydrophobicContact CD2-CD1 4.45Å; F106-L132 HydrophobicContact CE2-CD1 4.31Å; F106-L132 HydrophobicContact CZ-CD1 3.99Å; F128-L132 HydrophobicContact CE1-CD2 4.22Å; F128-L132 HydrophobicContact CE2-CB 4.31Å; F128-L132 HydrophobicContact CE2-CD2 4.47Å; F128-L132 HydrophobicContact CZ-CB 4.43Å; F128-L132 HydrophobicContact CZ-CD2 3.83Å; F128-L132 VanDerWaalsContact O-CB 3.27Å; F128-L132 WeakPolarHBondContact O-CB 3.5Å; F128-L132 PolarHBondContact O-N 2.9Å; L129-L132 PolarHBondContact O-N 3.26Å; N130-L132 PolarHBondContact O-N 3.02Å; L132-T135 PolarHBondContact O-N 3.37Å; L132-I136 HydrophobicContact CD1-CD1 3.87Å; L132-I136 HydrophobicContact CD1-CG1 4.27Å; L132-I136 HydrophobicContact CG-CD1 3.93Å; L132-I136 VanDerWaalsContact O-CG1 3.22Å; L132-I136 WeakPolarHBondContact O-CG1 3.39Å; L132-I136 PolarHBondContact O-N 3.12Å
133	L	98.4	Very high	96.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-65.1	-43.7	-178.2	-67.6	-178.5	0	0	0	112	L57 F63 L129 I136 A137 V174 F178 L202	L57-L133 HydrophobicContact CD2-CD2 4.39Å; F63-L133 HydrophobicContact CE2-CD2 4.11Å; F63-L133 HydrophobicContact CZ-CD2 4.47Å; L129-L133 HydrophobicContact CD1-CD1 3.82Å; L129-L133 HydrophobicContact CD1-CG 3.98Å; L129-L133 HydrophobicContact CG-CD1 4.22Å; L129-L133 WeakPolarHBondContact O-CG 3.44Å; L129-L133 PolarHBondContact O-N 2.95Å; L133-I136 PolarHBondContact O-N 3.44Å; L133-A137 WeakPolarHBondContact O-CB 3.49Å; L133-A137 PolarHBondContact O-N 3.26Å; L133-V174 HydrophobicContact CB-CG1 4.37Å; L133-V174 HydrophobicContact CD2-CG1 4.41Å; L133-F178 HydrophobicContact CD1-CD1 4.39Å; L133-F178 HydrophobicContact CD1-CD2 4.2Å; L133-F178 HydrophobicContact CD1-CG 4.14Å; L133-F178 HydrophobicContact CD2-CD2 3.98Å; L133-F178 HydrophobicContact CD2-CE2 3.83Å; L133-F178 HydrophobicContact CD2-CZ 4.46Å; L133-L202 HydrophobicContact CB-CD1 3.98Å; L133-L202 HydrophobicContact CD1-CB 4.41Å
134	N	97.7	Very high	95.9	Very high	59 Å²	59	34.2 Å²	34.2	32%	0.316	17%	0.165	S	C	.	.	H	α-helix	trans	-65	-43.2	176.8	-76.3	-57.2	0	0	0	111.6	N130 I136 A137 D138	N130-N134 WeakPolarHBondContact O-CB 3.45Å; N130-N134 PolarHBondContact O-N 3.03Å; N130-N134 VanDerWaalsContact O-N 3.11Å; N130-N134 PolarHBondContact O-ND2 3.17Å; N130-N134 PolarHBondContact OD1-ND2 3.27Å; N134-I136 VanDerWaalsContact C-N 3.33Å; N134-I136 PolarHBondContact O-N 3.16Å; N134-A137 WeakPolarHBondContact O-CB 3.42Å; N134-A137 PolarHBondContact O-N 2.88Å; N134-A137 VanDerWaalsContact O-N 3.13Å; N134-D138 PolarHBondContact O-N 3.19Å
135	T	98.1	Very high	95.6	Very high	20 Å²	20	38.5 Å²	38.5	12%	0.123	18%	0.182	C	C	.	.	H	α-helix	trans	-60.1	-43.6	177.1	-59.9	0	0	0	0	111.4	L80 Y131 L132 D138 L139	L80-T135 HydrophobicContact CB-CG2 4.44Å; L80-T135 HydrophobicContact CD2-CG2 4Å; Y131-T135 VanDerWaalsContact CE2-OG1 3.31Å; Y131-T135 WeakPolarHBondContact CE2-OG1 3.26Å; Y131-T135 VanDerWaalsContact O-CB 3.23Å; Y131-T135 WeakPolarHBondContact O-CB 3.38Å; Y131-T135 PolarHBondContact O-N 2.95Å; Y131-T135 PolarHBondContact O-OG1 2.97Å; L132-T135 PolarHBondContact O-N 3.37Å; T135-D138 PolarHBondContact O-N 3.34Å; T135-L139 HydrophobicContact CG2-CD1 4.09Å; T135-L139 WeakPolarHBondContact O-CB 3.34Å; T135-L139 VanDerWaalsContact O-CG 3.23Å; T135-L139 WeakPolarHBondContact O-CG 3.43Å; T135-L139 PolarHBondContact O-N 3.36Å
136	I	97.9	Very high	95.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-43.4	176.1	-66.3	168	0	0	0	110.5	F63 L81 L84 L132 L133 N134 D138 L139 L140 W173 V174	F63-I136 HydrophobicContact CE2-CD1 4.36Å; F63-I136 HydrophobicContact CZ-CD1 3.9Å; L81-I136 HydrophobicContact CB-CG1 4.41Å; L81-I136 HydrophobicContact CD1-CD1 4.46Å; L81-I136 HydrophobicContact CD1-CG1 4.18Å; L81-I136 HydrophobicContact CD1-CG2 3.84Å; L81-I136 HydrophobicContact CD2-CG2 4.14Å; L81-I136 HydrophobicContact CG-CG2 4.47Å; L84-I136 HydrophobicContact CD2-CD1 3.6Å; L132-I136 HydrophobicContact CD1-CD1 3.87Å; L132-I136 HydrophobicContact CD1-CG1 4.27Å; L132-I136 HydrophobicContact CG-CD1 3.93Å; L132-I136 VanDerWaalsContact O-CG1 3.22Å; L132-I136 WeakPolarHBondContact O-CG1 3.39Å; L132-I136 PolarHBondContact O-N 3.12Å; L133-I136 PolarHBondContact O-N 3.44Å; N134-I136 VanDerWaalsContact C-N 3.33Å; N134-I136 PolarHBondContact O-N 3.16Å; I136-D138 PolarHBondContact O-N 2.93Å; I136-L139 PolarHBondContact O-N 3.04Å; I136-L140 HydrophobicContact CG2-CD1 3.87Å; I136-L140 HydrophobicContact CG2-CG 4.43Å; I136-L140 WeakPolarHBondContact O-CD1 3.5Å; I136-L140 WeakPolarHBondContact O-CG 3.38Å; I136-L140 PolarHBondContact O-N 2.9Å; I136-L140 VanDerWaalsContact O-N 3.08Å; I136-W173 HydrophobicContact CG2-CH2 3.62Å; I136-W173 HydrophobicContact CG2-CZ2 3.9Å; I136-W173 HydrophobicContact CG2-CZ3 4.47Å; I136-V174 HydrophobicContact CB-CG2 4.13Å; I136-V174 HydrophobicContact CG2-CG2 3.46Å; I136-V174 VanDerWaalsContact CG2-CG2 3.46Å
137	A	97.1	Very high	94.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-59.1	-46.2	177.6	0	0	0	0	0	111.9	L133 N134 L140 Q141 V174	L133-A137 WeakPolarHBondContact O-CB 3.49Å; L133-A137 PolarHBondContact O-N 3.26Å; N134-A137 WeakPolarHBondContact O-CB 3.42Å; N134-A137 PolarHBondContact O-N 2.88Å; N134-A137 VanDerWaalsContact O-N 3.13Å; A137-L140 PolarHBondContact O-N 3.02Å; A137-Q141 WeakPolarHBondContact O-CG 3.14Å; A137-Q141 PolarHBondContact O-N 3.47Å; A137-V174 HydrophobicContact CB-CB 4.27Å; A137-V174 HydrophobicContact CB-CG1 4.31Å
138	D	95.9	Very high	93.6	Very high	94 Å²	94	49.8 Å²	49.8	50%	0.503	23%	0.233	S	C	.	.	H	α-helix	trans	-64.1	-45.6	179.2	-72.5	-20.6	0	0	0	112.1	N134 T135 I136 L140 Q141 E142	N134-D138 PolarHBondContact O-N 3.19Å; T135-D138 PolarHBondContact O-N 3.34Å; I136-D138 PolarHBondContact O-N 2.93Å; D138-L140 VanDerWaalsContact C-N 3.31Å; D138-L140 PolarHBondContact O-N 3.01Å; D138-Q141 PolarHBondContact O-N 2.73Å; D138-Q141 VanDerWaalsContact O-N 3.14Å; D138-E142 WeakPolarHBondContact O-CB 3.46Å; D138-E142 PolarHBondContact O-N 3.3Å
139	L	95.3	Very high	92.6	Very high	26 Å²	26	52.9 Å²	52.9	14%	0.136	25%	0.254	C	S	.	.	H	α-helix	trans	-57.2	-44.6	176.1	-73.2	170.9	0	0	0	111.4	N79 L81 T135 I136 Q141 E142 E143	N79-L139 HydrophobicContact CB-CD1 4.14Å; N79-L139 HydrophobicContact CB-CD2 4.2Å; L81-L139 HydrophobicContact CB-CD1 3.77Å; T135-L139 HydrophobicContact CG2-CD1 4.09Å; T135-L139 WeakPolarHBondContact O-CB 3.34Å; T135-L139 VanDerWaalsContact O-CG 3.23Å; T135-L139 WeakPolarHBondContact O-CG 3.43Å; T135-L139 PolarHBondContact O-N 3.36Å; I136-L139 PolarHBondContact O-N 3.04Å; L139-Q141 PolarHBondContact O-N 2.86Å; L139-E142 PolarHBondContact O-N 3.32Å; L139-E143 VanDerWaalsContact O-CG 3.28Å; L139-E143 WeakPolarHBondContact O-CG 3.3Å; L139-E143 PolarHBondContact O-N 2.8Å
140	L	94.6	Very high	91.2	Very high	9 Å²	9	58.2 Å²	58.2	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-67.3	-35.4	178	-67.9	166	0	0	0	112.8	Y70 L81 I136 A137 D138 R144 T172 W173 V174	Y70-L140 HydrophobicContact CD2-CD2 4.22Å; Y70-L140 HydrophobicContact CE2-CD2 4.07Å; L81-L140 HydrophobicContact CD2-CD2 3.91Å; L81-L140 HydrophobicContact CD2-CG 4.1Å; I136-L140 HydrophobicContact CG2-CD1 3.87Å; I136-L140 HydrophobicContact CG2-CG 4.43Å; I136-L140 WeakPolarHBondContact O-CD1 3.5Å; I136-L140 WeakPolarHBondContact O-CG 3.38Å; I136-L140 PolarHBondContact O-N 2.9Å; I136-L140 VanDerWaalsContact O-N 3.08Å; A137-L140 PolarHBondContact O-N 3.02Å; D138-L140 VanDerWaalsContact C-N 3.31Å; D138-L140 PolarHBondContact O-N 3.01Å; L140-R144 WeakPolarHBondContact O-CG 3.34Å; L140-R144 PolarHBondContact O-N 2.83Å; L140-T172 HydrophobicContact CB-CG2 3.72Å; L140-T172 HydrophobicContact CD1-CG2 4.49Å; L140-W173 HydrophobicContact CD1-CD2 3.96Å; L140-W173 HydrophobicContact CD1-CG 4.31Å; L140-W173 HydrophobicContact CD1-CH2 4.31Å; L140-W173 HydrophobicContact CD1-CZ2 3.53Å; L140-W173 VanDerWaalsContact CD1-NE1 3.3Å; L140-W173 HydrophobicContact CD2-CZ2 4.2Å; L140-W173 VanDerWaalsContact CD2-NE1 3.33Å; L140-W173 HydrophobicContact CG-CZ2 4.37Å; L140-V174 HydrophobicContact CD1-CG2 3.88Å
141	Q	93.7	Very high	89.3	Confident	33 Å²	33	57.7 Å²	57.7	15%	0.154	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-41	174.7	-72.4	-176.4	13.7	0	0	111.3	A137 D138 L139 R144 K145 T172	A137-Q141 WeakPolarHBondContact O-CG 3.14Å; A137-Q141 PolarHBondContact O-N 3.47Å; D138-Q141 PolarHBondContact O-N 2.73Å; D138-Q141 VanDerWaalsContact O-N 3.14Å; L139-Q141 PolarHBondContact O-N 2.86Å; Q141-R144 PolarHBondContact O-N 2.95Å; Q141-K145 WeakPolarHBondContact O-CG 3.45Å; Q141-K145 PolarHBondContact O-N 2.93Å; Q141-K145 VanDerWaalsContact O-N 3.1Å; Q141-T172 HydrophobicContact CG-CG2 3.56Å
142	E	91.4	Very high	87.3	Confident	105 Å²	105	65.4 Å²	65.4	49%	0.491	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-45.9	177.9	-165	-174.4	170.6	0	0	111.2	D138 L139 R144 K145 Q146	D138-E142 WeakPolarHBondContact O-CB 3.46Å; D138-E142 PolarHBondContact O-N 3.3Å; L139-E142 PolarHBondContact O-N 3.32Å; E142-R144 VanDerWaalsContact C-N 3.35Å; E142-R144 PolarHBondContact O-N 3.25Å; E142-K145 WeakPolarHBondContact O-CB 3.25Å; E142-K145 PolarHBondContact O-N 2.8Å; E142-K145 VanDerWaalsContact O-N 3.08Å; E142-Q146 WeakPolarHBondContact O-CG 3.11Å; E142-Q146 PolarHBondContact O-N 3.15Å; E142-Q146 PolarHBondContact OE1-NE2 3.34Å; E142-Q146 VanDerWaalsContact OE1-NE2 3.16Å
143	E	89.1	Confident	85	Confident	29 Å²	29	73 Å²	73	14%	0.136	36%	0.36	C	S	.	.	H	α-helix	trans	-57.5	-45.5	176.4	-73	175.5	153.3	0	0	112.3	Y70 R76 L139 K145 Q146 E147	Y70-E143 PolarHBondContact OH-OE1 3.27Å; R76-E143 VanDerWaalsContact CD-OE1 3.28Å; R76-E143 WeakPolarHBondContact CD-OE1 3.32Å; R76-E143 IonicContact CZ-OE1 3.91Å; R76-E143 IonicContact CZ-OE2 2.75Å; R76-E143 IonicContact NE-OE1 3.73Å; R76-E143 IonicContact NH1-OE1 2.65Å; R76-E143 PolarHBondContact NH1-OE1 3.43Å; R76-E143 IonicContact NH1-OE2 3.95Å; R76-E143 PolarHBondContact NH1-OE2 3.42Å; L139-E143 VanDerWaalsContact O-CG 3.28Å; L139-E143 WeakPolarHBondContact O-CG 3.3Å; L139-E143 PolarHBondContact O-N 2.8Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 2.83Å; E143-Q146 PolarHBondContact O-N 3.34Å; E143-Q146 VanDerWaalsContact O-N 3.15Å; E143-E147 WeakPolarHBondContact O-CG 3.47Å; E143-E147 PolarHBondContact O-N 2.84Å
144	R	87.6	Confident	82.7	Confident	83 Å²	83	76.7 Å²	76.7	31%	0.313	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-35	176.4	-73.4	172.6	175.9	-170.9	-1.8	112.6	L140 Q141 E142 K148 A170 P171	L140-R144 WeakPolarHBondContact O-CG 3.34Å; L140-R144 PolarHBondContact O-N 2.83Å; Q141-R144 PolarHBondContact O-N 2.95Å; E142-R144 VanDerWaalsContact C-N 3.35Å; E142-R144 PolarHBondContact O-N 3.25Å; R144-K148 WeakPolarHBondContact O-CG 3.39Å; R144-K148 PolarHBondContact O-N 3.21Å; R144-A170 PolarHBondContact NH1-O 3.3Å; R144-P171 PolarHBondContact NH1-O 2.9Å; R144-P171 PolarHBondContact NH2-O 2.68Å
145	K	87.9	Confident	79.9	Confident	130 Å²	130	80.7 Å²	80.7	57%	0.565	41%	0.413	S	S	*	.	H	α-helix	trans	-66.7	-42.6	174.9	-71.3	171.1	-175.8	171.8	0	110.5	Q141 E142 E143 K148 S149	Q141-K145 WeakPolarHBondContact O-CG 3.45Å; Q141-K145 PolarHBondContact O-N 2.93Å; Q141-K145 VanDerWaalsContact O-N 3.1Å; E142-K145 WeakPolarHBondContact O-CB 3.25Å; E142-K145 PolarHBondContact O-N 2.8Å; E142-K145 VanDerWaalsContact O-N 3.08Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 2.83Å; K145-K148 PolarHBondContact O-N 2.68Å; K145-S149 PolarHBondContact O-N 2.81Å; K145-S149 PolarHBondContact O-OG 2.89Å
146	Q	85.3	Confident	77.5	Confident	91 Å²	91	83.9 Å²	83.9	43%	0.425	45%	0.449	S	S	.	.	H	α-helix	trans	-66.1	-39.5	177.6	-67.3	177	15.3	0	0	112.5	E142 E143 S149 N150	E142-Q146 WeakPolarHBondContact O-CG 3.11Å; E142-Q146 PolarHBondContact O-N 3.15Å; E142-Q146 PolarHBondContact OE1-NE2 3.34Å; E142-Q146 VanDerWaalsContact OE1-NE2 3.16Å; E143-Q146 PolarHBondContact O-N 3.34Å; E143-Q146 VanDerWaalsContact O-N 3.15Å; Q146-S149 WeakPolarHBondContact CA-OG 3.49Å; Q146-S149 PolarHBondContact O-N 3.29Å; Q146-S149 PolarHBondContact O-OG 3.23Å; Q146-N150 WeakPolarHBondContact O-CB 3.47Å; Q146-N150 PolarHBondContact O-N 2.98Å; Q146-N150 PolarHBondContact O-ND2 2.94Å
147	E	82.1	Confident	74.8	Confident	112 Å²	112	89.9 Å²	89.9	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-62.7	-42.5	174.6	-73.5	173.9	174	0	0	111.6	R76 E143 N150 G151	R76-E147 IonicContact NH2-OE1 3.45Å; E143-E147 WeakPolarHBondContact O-CG 3.47Å; E143-E147 PolarHBondContact O-N 2.84Å; E147-N150 PolarHBondContact O-N 3.34Å; E147-G151 PolarHBondContact O-N 2.91Å
148	K	81.3	Confident	72.3	Confident	149 Å²	149	97.5 Å²	97.5	65%	0.648	53%	0.526	S	S	*	.	H	α-helix	trans	-66.3	-37	175.7	-72.6	178.9	-177	-174.9	0	112.8	R144 K145 R152	R144-K148 WeakPolarHBondContact O-CG 3.39Å; R144-K148 PolarHBondContact O-N 3.21Å; K145-K148 PolarHBondContact O-N 2.68Å; K148-R152 PolarHBondContact O-N 2.96Å
149	S	76.8	Confident	69.5	Low	64 Å²	64	100.8 Å²	100.8	45%	0.448	54%	0.543	S	S	.	.	H	α-helix	trans	-70.5	-40.3	176.2	60.6	0	0	0	0	111.9	K145 Q146 R152	K145-S149 PolarHBondContact O-N 2.81Å; K145-S149 PolarHBondContact O-OG 2.89Å; Q146-S149 WeakPolarHBondContact CA-OG 3.49Å; Q146-S149 PolarHBondContact O-N 3.29Å; Q146-S149 PolarHBondContact O-OG 3.23Å; S149-R152 PolarHBondContact O-N 3.34Å
150	N	69.3	Low	67.3	Low	113 Å²	113	104.6 Å²	104.6	60%	0.604	57%	0.572	S	S	*	*	H	α-helix	trans	-74.1	-32.5	-179.6	-66.3	-8.7	0	0	0	112	Q146 E147 R152 L153	Q146-N150 WeakPolarHBondContact O-CB 3.47Å; Q146-N150 PolarHBondContact O-N 2.98Å; Q146-N150 PolarHBondContact O-ND2 2.94Å; E147-N150 PolarHBondContact O-N 3.34Å; N150-R152 VanDerWaalsContact C-N 3.31Å; N150-R152 PolarHBondContact O-N 2.81Å; N150-L153 PolarHBondContact O-N 2.71Å
151	G	59.4	Low	64.8	Low	50 Å²	50	113 Å²	113	52%	0.515	61%	0.611	S	S	.	*	H	α-helix	trans	-70.6	-18.4	174.8	0	0	0	0	0	114.9	E147 L153 A154	E147-G151 PolarHBondContact O-N 2.91Å; G151-L153 PolarHBondContact O-N 3.32Å; G151-A154 PolarHBondContact O-N 3.2Å
152	R	55.7	Low	62.1	Low	204 Å²	204	118.2 Å²	118.2	77%	0.77	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-10.1	175.2	-84.1	-178.5	173	-177.5	-1.9	114.2	K148 S149 N150	K148-R152 PolarHBondContact O-N 2.96Å; S149-R152 PolarHBondContact O-N 3.34Å; N150-R152 VanDerWaalsContact C-N 3.31Å; N150-R152 PolarHBondContact O-N 2.81Å
153	L	50.3	Low	59.7	Low	160 Å²	160	120.5 Å²	120.5	84%	0.838	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-6	176.3	-75	156.6	0	0	0	113.6	N150 G151	N150-L153 PolarHBondContact O-N 2.71Å; G151-L153 PolarHBondContact O-N 3.32Å
154	A	49.4	Very low	57.3	Low	79 Å²	79	124.8 Å²	124.8	65%	0.653	68%	0.68	S	S	*	*	S	Bend	trans	-108.3	-4	-171.6	0	0	0	0	0	116	G151	G151-A154 PolarHBondContact O-N 3.2Å
155	N	40.8	Very low	55.2	Low	143 Å²	143	126.3 Å²	126.3	77%	0.765	70%	0.703	S	S	*	*			trans	-150.9	102.1	171.8	-95	-25	0	0	0	111.1	T157	N155-T157 PolarHBondContact O-N 3.29Å; N155-T157 VanDerWaalsContact O-N 3.08Å
156	G	47.5	Very low	53	Low	86 Å²	86	127.2 Å²	127.2	89%	0.887	71%	0.714	S	S	*	*			trans	-68.9	98.2	167.6	0	0	0	0	0	110.5
157	T	39.7	Very low	51.3	Low	126 Å²	126	126.5 Å²	126.5	77%	0.773	72%	0.724	S	S	*	*			trans	-138.9	117.8	149.7	37.7	0	0	0	0	107.5	N155 D159	N155-T157 PolarHBondContact O-N 3.29Å; N155-T157 VanDerWaalsContact O-N 3.08Å; T157-D159 PolarHBondContact O-N 2.82Å; T157-D159 VanDerWaalsContact O-N 3.15Å
158	L	46.3	Very low	50.3	Low	162 Å²	162	127.2 Å²	127.2	85%	0.848	74%	0.736	S	S	*	*			trans	-72	97.3	175.5	-80.4	124.4	0	0	0	108.9
159	D	36.8	Very low	49.7	Very low	163 Å²	163	123.8 Å²	123.8	87%	0.872	73%	0.729	S	S	*	*			trans	-114.1	83.2	151.7	-88.3	-25.6	0	0	0	108.6	T157 Q161	T157-D159 PolarHBondContact O-N 2.82Å; T157-D159 VanDerWaalsContact O-N 3.15Å; D159-Q161 VanDerWaalsContact C-N 3.33Å; D159-Q161 PolarHBondContact O-N 3.33Å; D159-Q161 VanDerWaalsContact O-N 3.08Å
160	S	47.8	Very low	49.9	Very low	106 Å²	106	123.4 Å²	123.4	74%	0.741	73%	0.729	S	S	*	*			trans	-70.6	86.6	164.7	-87.9	0	0	0	0	109
161	Q	42.1	Very low	50.7	Low	184 Å²	184	121.8 Å²	121.8	86%	0.86	73%	0.725	S	S	*	*			trans	-165.6	82	160.1	-110.5	170.9	44.1	0	0	112.1	D159	D159-Q161 VanDerWaalsContact C-N 3.33Å; D159-Q161 PolarHBondContact O-N 3.33Å; D159-Q161 VanDerWaalsContact O-N 3.08Å
162	N	38.7	Very low	52.5	Low	144 Å²	144	119.4 Å²	119.4	77%	0.77	70%	0.701	S	S	*	*			trans	163	77.1	137.8	-103.5	-22.7	0	0	0	110.4	N164	N162-N164 PolarHBondContact O-N 3.46Å
163	N	39.6	Very low	54.5	Low	153 Å²	153	110.9 Å²	110.9	82%	0.818	67%	0.669	S	S	*	*			trans	-77.8	72.8	154.9	-91	-9.3	0	0	0	108	S165	N163-S165 VanDerWaalsContact C-N 3.33Å; N163-S165 PolarHBondContact O-N 2.96Å
164	N	40.1	Very low	56.8	Low	119 Å²	119	103.3 Å²	103.3	64%	0.636	63%	0.629	S	S	*	*			trans	-80.8	89.2	163.2	-117.3	0.5	0	0	0	107.2	N162 N166 A167	N162-N164 PolarHBondContact O-N 3.46Å; N164-N166 PolarHBondContact O-N 3.24Å; N164-A167 PolarHBondContact O-N 2.89Å
165	S	42.3	Very low	59	Low	115 Å²	115	100.8 Å²	100.8	80%	0.804	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	4.2	177.5	47.7	0	0	0	0	114.4	N163	N163-S165 VanDerWaalsContact C-N 3.33Å; N163-S165 PolarHBondContact O-N 2.96Å
166	N	40.9	Very low	61.7	Low	148 Å²	148	98.6 Å²	98.6	79%	0.791	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	11.8	179.4	-70.7	-6.8	0	0	0	113.6	N164 T168	N164-N166 PolarHBondContact O-N 3.24Å; N166-T168 PolarHBondContact O-N 3.37Å
167	A	50.9	Low	64.1	Low	77 Å²	77	94.6 Å²	94.6	64%	0.636	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-71.8	117	173.4	0	0	0	0	0	109.6	N164	N164-A167 PolarHBondContact O-N 2.89Å
168	T	60.5	Low	66.9	Low	127 Å²	127	88.6 Å²	88.6	78%	0.779	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-48.7	131.1	172.4	43.7	0	0	0	0	109.9	N166 A170	N166-T168 PolarHBondContact O-N 3.37Å; T168-A170 PolarHBondContact O-N 2.88Å
169	P	69.4	Low	69.3	Low	77 Å²	77	82.3 Å²	82.3	50%	0.5	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-51.9	137.7	179.8	-23.8	31.6	0	0	0	111
170	A	79.9	Confident	72	Confident	55 Å²	55	74.6 Å²	74.6	46%	0.455	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-59.8	135.2	179	0	0	0	0	0	110.6	R144 T168 T172	R144-A170 PolarHBondContact NH1-O 3.3Å; T168-A170 PolarHBondContact O-N 2.88Å; A170-T172 PolarHBondContact O-N 3.3Å
171	P	87.8	Confident	74.1	Confident	80 Å²	80	70.3 Å²	70.3	52%	0.519	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-62.6	135.8	-173.5	24.7	-33.9	0	0	0	111.4	R144 H175	R144-P171 PolarHBondContact NH1-O 2.9Å; R144-P171 PolarHBondContact NH2-O 2.68Å; P171-H175 HydrophobicContact CB-CB 4.03Å
172	T	96.2	Very high	76.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-85.5	170	175.1	75.2	0	0	0	0	110.7	L140 Q141 A170 V174 H175 E176	L140-T172 HydrophobicContact CB-CG2 3.72Å; L140-T172 HydrophobicContact CD1-CG2 4.49Å; Q141-T172 HydrophobicContact CG-CG2 3.56Å; A170-T172 PolarHBondContact O-N 3.3Å; T172-V174 PolarHBondContact O-N 3.24Å; T172-V174 PolarHBondContact OG1-N 2.94Å; T172-H175 PolarHBondContact N-ND1 3.44Å; T172-H175 WeakPolarHBondContact O-CA 3.38Å; T172-H175 WeakPolarHBondContact O-CB 3.49Å; T172-H175 PolarHBondContact O-N 2.9Å; T172-H175 PolarHBondContact OG1-CE1 2.84Å; T172-H175 PolarHBondContact OG1-ND1 3.06Å; T172-E176 PolarHBondContact O-N 3.17Å
173	W	97.3	Very high	78.8	Confident	25 Å²	25	55.9 Å²	55.9	10%	0.095	33%	0.334	C	S	.	.	H	α-helix	trans	-64.8	-19.6	176.4	58.9	-105.2	0	0	0	113.2	F63 K66 I67 L81 I136 L140 H175 E176 I177	F63-W173 HydrophobicContact CD2-CH2 4.37Å; F63-W173 AromaticContact CD2-CZ3 3.64Å; F63-W173 HydrophobicContact CD2-CZ3 3.64Å; F63-W173 AromaticContact CE2-CH2 3.95Å; F63-W173 HydrophobicContact CE2-CH2 3.95Å; F63-W173 AromaticContact CE2-CZ3 3.59Å; F63-W173 HydrophobicContact CE2-CZ3 3.59Å; K66-W173 HydrophobicContact CB-CD2 3.73Å; K66-W173 HydrophobicContact CB-CE3 3.6Å; K66-W173 HydrophobicContact CB-CG 4.28Å; K66-W173 HydrophobicContact CB-CH2 4.4Å; K66-W173 HydrophobicContact CB-CZ2 4.46Å; K66-W173 HydrophobicContact CB-CZ3 3.97Å; K66-W173 HydrophobicContact CD-CB 3.88Å; K66-W173 HydrophobicContact CD-CD2 4.36Å; K66-W173 HydrophobicContact CD-CG 3.99Å; K66-W173 HydrophobicContact CG-CB 4.19Å; K66-W173 HydrophobicContact CG-CD2 4.02Å; K66-W173 HydrophobicContact CG-CE3 3.92Å; K66-W173 HydrophobicContact CG-CG 4.15Å; I67-W173 HydrophobicContact CD1-CH2 3.58Å; I67-W173 HydrophobicContact CD1-CZ2 4.19Å; I67-W173 HydrophobicContact CG1-CH2 4.2Å; L81-W173 HydrophobicContact CD1-CZ2 4.37Å; I136-W173 HydrophobicContact CG2-CH2 3.62Å; I136-W173 HydrophobicContact CG2-CZ2 3.9Å; I136-W173 HydrophobicContact CG2-CZ3 4.47Å; L140-W173 HydrophobicContact CD1-CD2 3.96Å; L140-W173 HydrophobicContact CD1-CG 4.31Å; L140-W173 HydrophobicContact CD1-CH2 4.31Å; L140-W173 HydrophobicContact CD1-CZ2 3.53Å; L140-W173 VanDerWaalsContact CD1-NE1 3.3Å; L140-W173 HydrophobicContact CD2-CZ2 4.2Å; L140-W173 VanDerWaalsContact CD2-NE1 3.33Å; L140-W173 HydrophobicContact CG-CZ2 4.37Å; W173-H175 VanDerWaalsContact C-N 3.35Å; W173-E176 PolarHBondContact O-N 2.98Å; W173-I177 HydrophobicContact CE3-CD1 4.06Å; W173-I177 VanDerWaalsContact O-CG1 3.28Å; W173-I177 WeakPolarHBondContact O-CG1 3.46Å; W173-I177 PolarHBondContact O-N 3.49Å
174	V	98	Very high	81.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-45.1	169.1	176.2	0	0	0	0	109.9	L133 I136 A137 L140 T172 E176 I177 F178	L133-V174 HydrophobicContact CB-CG1 4.37Å; L133-V174 HydrophobicContact CD2-CG1 4.41Å; I136-V174 HydrophobicContact CB-CG2 4.13Å; I136-V174 HydrophobicContact CG2-CG2 3.46Å; I136-V174 VanDerWaalsContact CG2-CG2 3.46Å; A137-V174 HydrophobicContact CB-CB 4.27Å; A137-V174 HydrophobicContact CB-CG1 4.31Å; L140-V174 HydrophobicContact CD1-CG2 3.88Å; T172-V174 PolarHBondContact O-N 3.24Å; T172-V174 PolarHBondContact OG1-N 2.94Å; V174-E176 VanDerWaalsContact C-N 3.35Å; V174-I177 PolarHBondContact O-N 3.28Å; V174-F178 HydrophobicContact CG1-CD2 4.42Å; V174-F178 PolarHBondContact O-N 3.04Å
175	H	97.3	Very high	83.7	Confident	26 Å²	26	45.4 Å²	45.4	12%	0.12	28%	0.277	C	S	.	.	H	α-helix	trans	-68.2	-35.2	177.6	-54.3	95.3	0	0	0	111.6	P171 T172 W173 I177 Q179	P171-H175 HydrophobicContact CB-CB 4.03Å; T172-H175 PolarHBondContact N-ND1 3.44Å; T172-H175 WeakPolarHBondContact O-CA 3.38Å; T172-H175 WeakPolarHBondContact O-CB 3.49Å; T172-H175 PolarHBondContact O-N 2.9Å; T172-H175 PolarHBondContact OG1-CE1 2.84Å; T172-H175 PolarHBondContact OG1-ND1 3.06Å; W173-H175 VanDerWaalsContact C-N 3.35Å; H175-I177 PolarHBondContact O-N 3.44Å; H175-Q179 HydrophobicContact CB-CB 3.91Å; H175-Q179 PolarHBondContact CD2-OE1 3.02Å; H175-Q179 WeakPolarHBondContact O-CA 3.23Å; H175-Q179 WeakPolarHBondContact O-CB 3.43Å; H175-Q179 PolarHBondContact O-N 3.21Å
176	E	96.6	Very high	86.2	Confident	97 Å²	97	40.5 Å²	40.5	45%	0.453	24%	0.242	S	C	.	.	H	α-helix	trans	-59.3	-35.4	172.9	-66.7	165.1	-164	0	0	112.3	K66 T172 W173 V174	K66-E176 IonicContact NZ-OE2 3.71Å; T172-E176 PolarHBondContact O-N 3.17Å; W173-E176 PolarHBondContact O-N 2.98Å; V174-E176 VanDerWaalsContact C-N 3.35Å
177	I	98.1	Very high	88.8	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-86.5	-54.4	-176.6	-64.9	169.8	0	0	0	111.5	P62 F63 K66 W173 V174 H175 M255 I256	P62-I177 HydrophobicContact CB-CD1 4.11Å; P62-I177 HydrophobicContact CB-CG1 4.19Å; F63-I177 HydrophobicContact CB-CD1 4.23Å; F63-I177 HydrophobicContact CD2-CD1 4.48Å; K66-I177 HydrophobicContact CG-CD1 4.01Å; W173-I177 HydrophobicContact CE3-CD1 4.06Å; W173-I177 VanDerWaalsContact O-CG1 3.28Å; W173-I177 WeakPolarHBondContact O-CG1 3.46Å; W173-I177 PolarHBondContact O-N 3.49Å; V174-I177 PolarHBondContact O-N 3.28Å; H175-I177 PolarHBondContact O-N 3.44Å; I177-M255 HydrophobicContact CG1-SD 4.48Å; I177-M255 WeakPolarHBondContact O-CB 3.25Å; I177-M255 PolarHBondContact O-N 3.48Å; I177-I256 HydrophobicContact CG2-CB 4.01Å; I177-I256 HydrophobicContact CG2-CD1 3.61Å; I177-I256 HydrophobicContact CG2-CG1 3.76Å; I177-I256 PolarHBondContact O-N 2.53Å
178	F	98.3	Very high	91	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-104.6	-14.7	-167.4	-67.6	-77	0	0	0	114.4	L57 F63 L133 V174 G180 L202 P254 I256 F367	L57-F178 HydrophobicContact CD2-CE1 4.4Å; L57-F178 HydrophobicContact CD2-CE2 4.34Å; L57-F178 HydrophobicContact CD2-CZ 3.67Å; F63-F178 HydrophobicContact CB-CE2 4.26Å; F63-F178 HydrophobicContact CB-CZ 4.39Å; F63-F178 AromaticContact CD2-CE2 3.59Å; F63-F178 HydrophobicContact CD2-CE2 3.59Å; F63-F178 HydrophobicContact CD2-CZ 4.35Å; F63-F178 HydrophobicContact CE2-CE2 4.18Å; F63-F178 HydrophobicContact CG-CE2 4.1Å; F63-F178 HydrophobicContact CG-CZ 4.45Å; L133-F178 HydrophobicContact CD1-CD1 4.39Å; L133-F178 HydrophobicContact CD1-CD2 4.2Å; L133-F178 HydrophobicContact CD1-CG 4.14Å; L133-F178 HydrophobicContact CD2-CD2 3.98Å; L133-F178 HydrophobicContact CD2-CE2 3.83Å; L133-F178 HydrophobicContact CD2-CZ 4.46Å; V174-F178 HydrophobicContact CG1-CD2 4.42Å; V174-F178 PolarHBondContact O-N 3.04Å; F178-G180 PolarHBondContact O-N 2.78Å; F178-L202 HydrophobicContact CB-CB 4.4Å; F178-L202 HydrophobicContact CB-CD2 4.18Å; F178-P254 VanDerWaalsContact C-CB 3.47Å; F178-P254 VanDerWaalsContact O-CB 3.24Å; F178-P254 WeakPolarHBondContact O-CB 3.34Å; F178-I256 HydrophobicContact CD1-CB 3.95Å; F178-I256 HydrophobicContact CD1-CG2 4.03Å; F178-I256 HydrophobicContact CE1-CB 3.77Å; F178-I256 HydrophobicContact CE1-CD1 4.43Å; F178-I256 HydrophobicContact CE1-CG2 3.52Å; F178-I256 HydrophobicContact CZ-CB 4.49Å; F178-I256 HydrophobicContact CZ-CD1 4.37Å; F178-I256 HydrophobicContact CZ-CG2 4.39Å; F178-F367 HydrophobicContact CE1-CD1 4.24Å; F178-F367 HydrophobicContact CE1-CE1 4.2Å
179	Q	96.8	Very high	92.7	Very high	30 Å²	30	31.6 Å²	31.6	14%	0.14	17%	0.171	C	C	.	.			trans	-78.8	117.9	-174.1	-169	-174.9	-52.7	0	0	112.4	H175 D200 F201 L202	H175-Q179 HydrophobicContact CB-CB 3.91Å; H175-Q179 PolarHBondContact CD2-OE1 3.02Å; H175-Q179 WeakPolarHBondContact O-CA 3.23Å; H175-Q179 WeakPolarHBondContact O-CB 3.43Å; H175-Q179 PolarHBondContact O-N 3.21Å; Q179-D200 HydrophobicContact CG-CB 4.02Å; Q179-D200 PolarHBondContact NE2-OD1 3.2Å; Q179-D200 PolarHBondContact NE2-OD2 3.28Å; Q179-F201 VanDerWaalsContact CA-O 3.26Å; Q179-F201 WeakPolarHBondContact CA-O 3.47Å; Q179-L202 HydrophobicContact CB-CD2 4.01Å
180	G	93.2	Very high	94	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	175	160.1	0	0	0	0	0	111.4	F178 D200 F201 K252	F178-G180 PolarHBondContact O-N 2.78Å; G180-D200 WeakPolarHBondContact O-CA 3.41Å; G180-F201 VanDerWaalsContact C-CD1 3.47Å; G180-F201 PolarHBondContact N-O 2.87Å; G180-F201 WeakPolarHBondContact O-CD1 3.38Å; G180-F201 PolarHBondContact O-N 3.26Å; G180-K252 CarbonylContact C-O 3.56Å; G180-K252 WeakPolarHBondContact CA-O 3.29Å
181	T	91.9	Very high	94.8	Very high	17 Å²	17	32 Å²	32	10%	0.104	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.2	176.8	-49.2	0	0	0	0	109.4	D198 D200 K251 K252	T181-D198 HydrophobicContact CG2-CB 4.02Å; T181-D200 WeakPolarHBondContact CB-OD1 3.43Å; T181-D200 WeakPolarHBondContact CG2-OD1 3.36Å; T181-D200 PolarHBondContact OG1-OD1 2.84Å; T181-K251 PolarHBondContact O-N 2.6Å; T181-K252 PolarHBondContact N-O 3.21Å; T181-K252 PolarHBondContact O-N 2.91Å
182	L	90.1	Very high	95.2	Very high	11 Å²	11	34 Å²	34	6%	0.058	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	148.1	171.7	-60.2	172.4	0	0	0	109.4	D198 E199 F201 L204 F221 M248 R249 V250	L182-D198 CarbonylContact O-C 3.59Å; L182-D198 VanDerWaalsContact O-CA 3.26Å; L182-D198 WeakPolarHBondContact O-CA 3.31Å; L182-E199 PolarHBondContact N-O 2.97Å; L182-E199 PolarHBondContact O-N 3.34Å; L182-F201 HydrophobicContact CD1-CD1 4Å; L182-F201 HydrophobicContact CD1-CE1 4.34Å; L182-F201 HydrophobicContact CD2-CD1 4.25Å; L182-F201 HydrophobicContact CD2-CE1 3.76Å; L182-F201 HydrophobicContact CG-CD1 3.6Å; L182-F201 HydrophobicContact CG-CE1 3.63Å; L182-L204 HydrophobicContact CD1-CD1 3.9Å; L182-F221 HydrophobicContact CD1-CE1 3.89Å; L182-F221 HydrophobicContact CD1-CZ 3.74Å; L182-F221 HydrophobicContact CD2-CE1 3.81Å; L182-F221 HydrophobicContact CD2-CZ 4.5Å; L182-F221 HydrophobicContact CG-CE1 4.47Å; L182-M248 HydrophobicContact CB-CE 4.5Å; L182-M248 HydrophobicContact CD1-CE 3.69Å; L182-R249 CarbonylContact C-O 3.54Å; L182-R249 VanDerWaalsContact CA-O 3.23Å; L182-R249 WeakPolarHBondContact CA-O 3.34Å; L182-V250 HydrophobicContact CD2-CB 4.27Å; L182-V250 HydrophobicContact CD2-CG2 3.79Å
183	T	90.4	Very high	95.2	Very high	13 Å²	13	36.4 Å²	36.4	8%	0.08	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.3	166.8	-57.4	0	0	0	0	108.2	E185 D198 R249 K251	T183-E185 HydrophobicContact CG2-CG 3.9Å; T183-D198 WeakPolarHBondContact CB-OD1 3.3Å; T183-D198 WeakPolarHBondContact CG2-OD1 3.29Å; T183-D198 PolarHBondContact OG1-OD1 2.84Å; T183-R249 PolarHBondContact N-O 3.34Å; T183-R249 PolarHBondContact O-N 2.9Å; T183-K251 WeakPolarHBondContact OG1-CD 3.35Å
184	N	90.6	Very high	95.1	Very high	25 Å²	25	40 Å²	40	13%	0.134	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.6	172.6	-177.7	21.5	0	0	0	108.8	S196 K197 K246	N184-S196 WeakPolarHBondContact O-CA 3.25Å; N184-K197 PolarHBondContact N-O 3Å; N184-K197 PolarHBondContact O-N 3.17Å; N184-K246 WeakPolarHBondContact OD1-CE 3.47Å; N184-K246 WeakPolarHBondContact OD1-CG 3.49Å
185	E	91.6	Very high	94.8	Very high	27 Å²	27	42.4 Å²	42.4	13%	0.126	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.3	179.6	-60.1	-177.8	-168	0	0	109.7	T183 S195 K246 R247 R249	T183-E185 HydrophobicContact CG2-CG 3.9Å; E185-S195 CarbonylContact C-O 3.49Å; E185-S195 WeakPolarHBondContact CA-O 3.4Å; E185-K246 CarbonylContact O-C 3.56Å; E185-K246 WeakPolarHBondContact O-CA 3.49Å; E185-R247 HydrophobicContact CB-CG 3.97Å; E185-R247 PolarHBondContact N-O 3.27Å; E185-R247 PolarHBondContact O-N 3.15Å; E185-R247 IonicContact OE1-NH2 3.3Å; E185-R247 IonicContact OE2-CZ 2.86Å; E185-R247 IonicContact OE2-NE 3.3Å; E185-R247 PolarHBondContact OE2-NE 3.19Å; E185-R247 IonicContact OE2-NH2 3.43Å; E185-R247 PolarHBondContact OE2-NH2 3.45Å; E185-R249 WeakPolarHBondContact OE1-CD 3.44Å; E185-R249 IonicContact OE1-CZ 3.68Å; E185-R249 IonicContact OE1-NH1 2.73Å; E185-R249 PolarHBondContact OE1-NH1 2.66Å
186	T	94.4	Very high	94.6	Very high	13 Å²	13	44.9 Å²	44.9	8%	0.08	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.5	174.9	-57	0	0	0	0	109.7	I194 S195 Y233 A244 H245	T186-I194 CarbonylContact O-C 3.52Å; T186-I194 WeakPolarHBondContact O-CA 3.38Å; T186-S195 PolarHBondContact N-O 2.96Å; T186-S195 PolarHBondContact O-N 3.38Å; T186-S195 PolarHBondContact O-OG 3.5Å; T186-Y233 HydrophobicContact CG2-CD1 4.09Å; T186-Y233 HydrophobicContact CG2-CD2 4.03Å; T186-Y233 HydrophobicContact CG2-CE1 4.23Å; T186-Y233 HydrophobicContact CG2-CE2 4.2Å; T186-Y233 HydrophobicContact CG2-CG 3.96Å; T186-A244 HydrophobicContact CG2-CB 3.83Å; T186-H245 CarbonylContact C-O 3.52Å; T186-H245 WeakPolarHBondContact CA-O 3.26Å
187	R	95.9	Very high	94.4	Very high	100 Å²	100	46.1 Å²	46.1	38%	0.377	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.8	174.9	179.4	178.9	177.7	-160.7	-1.7	109.7	L189 E192 I194 A244 H245	R187-L189 PolarHBondContact O-N 3.08Å; R187-E192 IonicContact CZ-OE1 2.68Å; R187-E192 IonicContact NH2-OE1 2.75Å; R187-E192 PolarHBondContact NH2-OE1 3.15Å; R187-I194 HydrophobicContact CB-CG1 4.05Å; R187-I194 HydrophobicContact CG-CG1 3.97Å; R187-A244 CarbonylContact O-C 3.55Å; R187-A244 WeakPolarHBondContact O-CA 3.28Å; R187-A244 WeakPolarHBondContact O-CB 3.2Å; R187-H245 HydrophobicContact CB-CB 4.37Å; R187-H245 PolarHBondContact N-O 3.14Å; R187-H245 PolarHBondContact O-N 2.86Å
188	C	96.8	Very high	94.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	130.9	169.9	-175.8	0	0	0	0	110	T190 E192 T193 Y233	C188-T190 VanDerWaalsContact C-N 3.31Å; C188-E192 WeakPolarHBondContact O-CA 3.37Å; C188-E192 PolarHBondContact O-N 2.96Å; C188-E192 VanDerWaalsContact O-N 3.08Å; C188-T193 PolarHBondContact N-O 2.77Å; C188-Y233 HydrophobicContact CB-CE1 4.15Å
189	L	96.8	Very high	93.8	Very high	65 Å²	65	53 Å²	53	34%	0.34	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.5	178.5	-66.2	180	0	0	0	113.6	R187 T226 E243	R187-L189 PolarHBondContact O-N 3.08Å; L189-T226 HydrophobicContact CD1-CG2 4.45Å; L189-E243 HydrophobicContact CB-CB 4.39Å; L189-E243 WeakPolarHBondContact CB-O 3.31Å; L189-E243 HydrophobicContact CD1-CB 4.04Å; L189-E243 PolarHBondContact N-O 3.22Å
190	T	96.3	Very high	93.7	Very high	90 Å²	90	56.3 Å²	56.3	55%	0.552	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-48.9	180	-55.8	0	0	0	0	112.3	C188 Q242	C188-T190 VanDerWaalsContact C-N 3.31Å; T190-Q242 PolarHBondContact OG1-OE1 2.87Å
191	C	96.6	Very high	93.8	Very high	50 Å²	50	57.4 Å²	57.4	34%	0.338	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	0.3	-178	70.5	0	0	0	0	114	T193 C238	C191-T193 PolarHBondContact O-N 3.05Å; C191-T193 PolarHBondContact SG-OG1 3.37Å; C191-C238 VanDerWaalsContact CB-SG 3.57Å
192	E	96.6	Very high	94	Very high	122 Å²	122	57.4 Å²	57.4	57%	0.57	30%	0.303	S	S	*	.			trans	62.3	0.6	-179.2	-49.3	-158.3	120	0	0	116.5	R187 C188 I194	R187-E192 IonicContact CZ-OE1 2.68Å; R187-E192 IonicContact NH2-OE1 2.75Å; R187-E192 PolarHBondContact NH2-OE1 3.15Å; C188-E192 WeakPolarHBondContact O-CA 3.37Å; C188-E192 PolarHBondContact O-N 2.96Å; C188-E192 VanDerWaalsContact O-N 3.08Å; E192-I194 PolarHBondContact O-N 3.19Å
193	T	96.2	Very high	94.4	Very high	51 Å²	51	57.8 Å²	57.8	31%	0.313	31%	0.306	S	S	.	.			trans	-56.6	130.6	174.8	-55.4	0	0	0	0	110.6	C188 C191 E237	C188-T193 PolarHBondContact N-O 2.77Å; C191-T193 PolarHBondContact O-N 3.05Å; C191-T193 PolarHBondContact SG-OG1 3.37Å; T193-E237 HydrophobicContact CG2-CG 3.77Å
194	I	94.6	Very high	94.6	Very high	100 Å²	100	57.6 Å²	57.6	51%	0.513	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.1	176.4	-57.9	176	0	0	0	108.4	T186 R187 E192	T186-I194 CarbonylContact O-C 3.52Å; T186-I194 WeakPolarHBondContact O-CA 3.38Å; R187-I194 HydrophobicContact CB-CG1 4.05Å; R187-I194 HydrophobicContact CG-CG1 3.97Å; E192-I194 PolarHBondContact O-N 3.19Å
195	S	92.9	Very high	94.8	Very high	50 Å²	50	57.9 Å²	57.9	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	141.5	164.6	63.9	0	0	0	0	109.6	E185 T186	E185-S195 CarbonylContact C-O 3.49Å; E185-S195 WeakPolarHBondContact CA-O 3.4Å; T186-S195 PolarHBondContact N-O 2.96Å; T186-S195 PolarHBondContact O-N 3.38Å; T186-S195 PolarHBondContact O-OG 3.5Å
196	S	92.3	Very high	94.8	Very high	78 Å²	78	56.7 Å²	56.7	55%	0.545	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.5	176.6	-60.5	0	0	0	0	108.8	N184	N184-S196 WeakPolarHBondContact O-CA 3.25Å
197	K	91.6	Very high	94.6	Very high	124 Å²	124	61.2 Å²	61.2	54%	0.539	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	127.2	177.6	-174.2	-173.3	172.9	-150.9	0	109.4	N184 E199	N184-K197 PolarHBondContact N-O 3Å; N184-K197 PolarHBondContact O-N 3.17Å; K197-E199 HydrophobicContact CD-CG 4.39Å; K197-E199 WeakPolarHBondContact CE-OE1 3.37Å; K197-E199 HydrophobicContact CG-CG 4.42Å; K197-E199 IonicContact NZ-OE1 2.68Å; K197-E199 PolarHBondContact NZ-OE1 3.25Å
198	D	92.3	Very high	94.4	Very high	75 Å²	75	57 Å²	57	40%	0.401	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	135.9	173.5	-70.2	-15.7	0	0	0	110.1	T181 L182 T183 K251	T181-D198 HydrophobicContact CG2-CB 4.02Å; L182-D198 CarbonylContact O-C 3.59Å; L182-D198 VanDerWaalsContact O-CA 3.26Å; L182-D198 WeakPolarHBondContact O-CA 3.31Å; T183-D198 WeakPolarHBondContact CB-OD1 3.3Å; T183-D198 WeakPolarHBondContact CG2-OD1 3.29Å; T183-D198 PolarHBondContact OG1-OD1 2.84Å; D198-K251 IonicContact OD1-NZ 3.06Å; D198-K251 IonicContact OD2-NZ 3.92Å; D198-K251 PolarHBondContact OD2-NZ 2.84Å
199	E	91.9	Very high	94.2	Very high	71 Å²	71	63.2 Å²	63.2	33%	0.332	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	123	178.1	-64.2	-173.3	162.6	0	0	109.3	L182 K197	L182-E199 PolarHBondContact N-O 2.97Å; L182-E199 PolarHBondContact O-N 3.34Å; K197-E199 HydrophobicContact CD-CG 4.39Å; K197-E199 WeakPolarHBondContact CE-OE1 3.37Å; K197-E199 HydrophobicContact CG-CG 4.42Å; K197-E199 IonicContact NZ-OE1 2.68Å; K197-E199 PolarHBondContact NZ-OE1 3.25Å
200	D	94.4	Very high	94	Very high	101 Å²	101	63.2 Å²	63.2	54%	0.54	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	150	175.9	-72.6	-38	0	0	0	111	Q179 G180 T181	Q179-D200 HydrophobicContact CG-CB 4.02Å; Q179-D200 PolarHBondContact NE2-OD1 3.2Å; Q179-D200 PolarHBondContact NE2-OD2 3.28Å; G180-D200 WeakPolarHBondContact O-CA 3.41Å; T181-D200 WeakPolarHBondContact CB-OD1 3.43Å; T181-D200 WeakPolarHBondContact CG2-OD1 3.36Å; T181-D200 PolarHBondContact OG1-OD1 2.84Å
201	F	95.2	Very high	93.9	Very high	22 Å²	22	63 Å²	63	10%	0.096	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	149.1	177.4	68.6	-89	0	0	0	111.2	Q179 G180 L182 D203 L204 P254 L257	Q179-F201 VanDerWaalsContact CA-O 3.26Å; Q179-F201 WeakPolarHBondContact CA-O 3.47Å; G180-F201 VanDerWaalsContact C-CD1 3.47Å; G180-F201 PolarHBondContact N-O 2.87Å; G180-F201 WeakPolarHBondContact O-CD1 3.38Å; G180-F201 PolarHBondContact O-N 3.26Å; L182-F201 HydrophobicContact CD1-CD1 4Å; L182-F201 HydrophobicContact CD1-CE1 4.34Å; L182-F201 HydrophobicContact CD2-CD1 4.25Å; L182-F201 HydrophobicContact CD2-CE1 3.76Å; L182-F201 HydrophobicContact CG-CD1 3.6Å; L182-F201 HydrophobicContact CG-CE1 3.63Å; F201-D203 WeakPolarHBondContact CD2-O 3.47Å; F201-L204 HydrophobicContact CD2-CB 4.39Å; F201-L204 HydrophobicContact CE2-CB 4.21Å; F201-P254 HydrophobicContact CE2-CG 4.36Å; F201-L257 HydrophobicContact CE2-CD1 4.06Å
202	L	97.6	Very high	93.9	Very high	17 Å²	17	61.4 Å²	61.4	9%	0.089	32%	0.323	C	S	.	.	S	Bend	trans	-100.2	-19.3	170.7	-60.5	-179.2	0	0	0	112.5	L133 F178 Q179	L133-L202 HydrophobicContact CB-CD1 3.98Å; L133-L202 HydrophobicContact CD1-CB 4.41Å; F178-L202 HydrophobicContact CB-CB 4.4Å; F178-L202 HydrophobicContact CB-CD2 4.18Å; Q179-L202 HydrophobicContact CB-CD2 4.01Å
203	D	97.3	Very high	93.8	Very high	19 Å²	19	57.3 Å²	57.3	10%	0.102	31%	0.308	C	S	.	.	S	Bend	trans	-145.4	155.9	173.8	73.9	-89.1	0	0	0	109.7	H126 N130 F201 S205 A258	H126-D203 IonicContact CD2-OD2 3.87Å; H126-D203 IonicContact CE1-OD2 3.82Å; H126-D203 VanDerWaalsContact NE2-CG 3.32Å; H126-D203 IonicContact NE2-OD1 3.9Å; H126-D203 IonicContact NE2-OD2 2.84Å; H126-D203 PolarHBondContact NE2-OD2 2.98Å; N130-D203 PolarHBondContact ND2-OD1 2.69Å; F201-D203 WeakPolarHBondContact CD2-O 3.47Å; D203-S205 PolarHBondContact OD2-OG 3.3Å; D203-A258 CarbonylContact C-O 3.53Å; D203-A258 WeakPolarHBondContact CA-O 3.17Å; D203-A258 HydrophobicContact CB-CB 3.93Å
204	L	94.3	Very high	93.7	Very high	9 Å²	9	54.9 Å²	54.9	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	112.2	176.9	-171.3	65.7	0	0	0	110	L182 F201 V206 L218 F221 A258 L259 H260	L182-L204 HydrophobicContact CD1-CD1 3.9Å; F201-L204 HydrophobicContact CD2-CB 4.39Å; F201-L204 HydrophobicContact CE2-CB 4.21Å; L204-V206 HydrophobicContact CD2-CG1 4.34Å; L204-V206 HydrophobicContact CG-CG1 4.2Å; L204-L218 HydrophobicContact CD2-CD2 3.51Å; L204-F221 HydrophobicContact CD1-CD2 4.46Å; L204-F221 HydrophobicContact CD1-CE1 3.97Å; L204-F221 HydrophobicContact CD1-CE2 3.77Å; L204-F221 HydrophobicContact CD1-CZ 3.5Å; L204-F221 HydrophobicContact CG-CE2 4.45Å; L204-A258 PolarHBondContact N-O 3Å; L204-L259 HydrophobicContact CB-CD2 3.84Å; L204-L259 HydrophobicContact CD2-CD2 4.16Å; L204-L259 HydrophobicContact CG-CD2 4.44Å; L204-L259 WeakPolarHBondContact O-CA 3.31Å; L204-H260 PolarHBondContact O-N 3.42Å
205	S	94.6	Very high	93.5	Very high	31 Å²	31	52.1 Å²	52.1	22%	0.217	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	114.1	176.1	-67.5	0	0	0	0	110.8	H126 D203 H260	H126-S205 PolarHBondContact CE1-OG 3.2Å; D203-S205 PolarHBondContact OD2-OG 3.3Å; S205-H260 CarbonylContact C-O 3.55Å; S205-H260 WeakPolarHBondContact CA-O 3.4Å; S205-H260 PolarHBondContact OG-ND1 2.69Å
206	V	92.3	Very high	93.4	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.9	-177.7	-62	0	0	0	0	111.8	L204 C217 L218 H260 L261 K262	L204-V206 HydrophobicContact CD2-CG1 4.34Å; L204-V206 HydrophobicContact CG-CG1 4.2Å; V206-C217 HydrophobicContact CB-CB 4.26Å; V206-C217 HydrophobicContact CG2-CB 4.31Å; V206-L218 HydrophobicContact CG1-CD2 3.91Å; V206-H260 PolarHBondContact N-O 2.89Å; V206-L261 HydrophobicContact CG2-CD2 3.46Å; V206-L261 VanDerWaalsContact CG2-CD2 3.46Å; V206-K262 WeakPolarHBondContact O-CB 3.44Å; V206-K262 PolarHBondContact O-N 3.12Å
207	D	90.9	Very high	93.2	Very high	108 Å²	108	51.4 Å²	51.4	58%	0.578	27%	0.265	S	S	*	.			trans	-71.1	142.8	171.9	-64.8	-74.4	0	0	0	110.3	C217 K262	D207-C217 PolarHBondContact O-SG 2.92Å; D207-K262 WeakPolarHBondContact OD1-CD 3.3Å; D207-K262 IonicContact OD1-NZ 3.66Å; D207-K262 PolarHBondContact OD1-NZ 2.82Å; D207-K262 IonicContact OD2-NZ 2.64Å; D207-K262 PolarHBondContact OD2-NZ 3.35Å
208	V	91.8	Very high	92.8	Very high	12 Å²	12	46.6 Å²	46.6	7%	0.073	24%	0.244	C	C	.	.			trans	-117.7	138.5	-175.5	-65.7	0	0	0	0	111.4	L261 R263 L276 Y278 V280	V208-L261 HydrophobicContact CG1-CB 3.91Å; V208-L261 HydrophobicContact CG1-CD2 4.5Å; V208-R263 HydrophobicContact CG2-CG 4.23Å; V208-L276 HydrophobicContact CG2-CB 4.37Å; V208-L276 HydrophobicContact CG2-CD1 3.98Å; V208-Y278 HydrophobicContact CG2-CD2 4.3Å; V208-V280 HydrophobicContact CB-CG2 3.93Å; V208-V280 HydrophobicContact CG1-CG2 3.88Å
209	E	91.9	Very high	92.3	Very high	130 Å²	130	50.8 Å²	50.8	61%	0.607	26%	0.255	S	S	*	.			trans	-121.8	162.6	176.1	-65.2	-176.1	177.7	0	0	110.2	N211 T212	E209-N211 PolarHBondContact O-N 3.14Å; E209-T212 WeakPolarHBondContact O-CG2 3.48Å
210	Q	93.3	Very high	91.5	Very high	65 Å²	65	48.8 Å²	48.8	30%	0.304	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	133.5	-178.3	-179.8	58	-20.3	0	0	111.5	T212 Y278 L352 T353	Q210-T212 PolarHBondContact O-N 3.27Å; Q210-Y278 HydrophobicContact CB-CD1 4.06Å; Q210-Y278 HydrophobicContact CB-CE1 4.41Å; Q210-Y278 HydrophobicContact CB-CG 4.17Å; Q210-Y278 VanDerWaalsContact OE1-CB 3.24Å; Q210-L352 PolarHBondContact NE2-O 2.81Å; Q210-T353 PolarHBondContact NE2-O 2.8Å; Q210-T353 VanDerWaalsContact NE2-O 3.09Å
211	N	94.6	Very high	90.5	Very high	87 Å²	87	46 Å²	46	47%	0.465	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	42.3	180	-62.2	-43.9	0	0	0	114.4	E209 R279	E209-N211 PolarHBondContact O-N 3.14Å; N211-R279 CarbonylContact C-O 3.54Å; N211-R279 VanDerWaalsContact CA-O 3.23Å; N211-R279 WeakPolarHBondContact CA-O 3.3Å; N211-R279 PolarHBondContact N-O 2.84Å; N211-R279 VanDerWaalsContact N-O 3.13Å
212	T	94.8	Very high	89.6	Confident	16 Å²	16	46.1 Å²	46.1	10%	0.098	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-176.8	177.7	-162	0	0	0	0	112.7	E209 Q210 H216 R279 V280 V281	E209-T212 WeakPolarHBondContact O-CG2 3.48Å; Q210-T212 PolarHBondContact O-N 3.27Å; T212-H216 PolarHBondContact OG1-CD2 2.78Å; T212-H216 VanDerWaalsContact OG1-CD2 3.27Å; T212-R279 PolarHBondContact N-O 3.12Å; T212-V280 HydrophobicContact CG2-CB 4.38Å; T212-V280 HydrophobicContact CG2-CG1 4Å; T212-V280 HydrophobicContact CG2-CG2 4.01Å; T212-V280 WeakPolarHBondContact O-CA 3.46Å; T212-V281 PolarHBondContact O-N 3.28Å
213	S	95.6	Very high	88.9	Confident	35 Å²	35	50.5 Å²	50.5	25%	0.245	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	156.8	171.7	71.9	0	0	0	0	111.4	T215 H216 C217 V281	S213-T215 PolarHBondContact O-N 2.91Å; S213-H216 CarbonylContact O-C 3.47Å; S213-H216 WeakPolarHBondContact O-CA 3.25Å; S213-H216 WeakPolarHBondContact O-CB 3.3Å; S213-H216 PolarHBondContact O-N 2.98Å; S213-H216 PolarHBondContact OG-N 2.83Å; S213-H216 VanDerWaalsContact OG-N 3.15Å; S213-C217 PolarHBondContact O-N 2.85Å; S213-C217 PolarHBondContact O-SG 3.31Å; S213-V281 CarbonylContact C-O 3.43Å; S213-V281 WeakPolarHBondContact CA-O 3.17Å; S213-V281 WeakPolarHBondContact CB-O 3.48Å
214	I	93.9	Very high	88.4	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.1	-39.6	174.8	-63.9	-52.7	0	0	0	111.8	H216 C217 L218 L259 L261 V280 V281 F282 L286 L366	I214-H216 PolarHBondContact O-N 3.23Å; I214-C217 PolarHBondContact O-N 3.4Å; I214-L218 HydrophobicContact CG2-CD1 3.67Å; I214-L218 HydrophobicContact CG2-CG 4.15Å; I214-L218 WeakPolarHBondContact O-CB 3.47Å; I214-L218 WeakPolarHBondContact O-CG 3.42Å; I214-L218 PolarHBondContact O-N 2.88Å; I214-L259 HydrophobicContact CG2-CD1 3.5Å; I214-L259 VanDerWaalsContact CG2-CD1 3.5Å; I214-L261 HydrophobicContact CD1-CD1 4.07Å; I214-L261 HydrophobicContact CD1-CD2 3.27Å; I214-L261 HydrophobicContact CD1-CG 4.32Å; I214-V280 HydrophobicContact CD1-CG1 3.68Å; I214-V280 HydrophobicContact CG1-CG1 4.32Å; I214-V281 PolarHBondContact N-O 2.93Å; I214-F282 HydrophobicContact CG1-CB 3.59Å; I214-L286 HydrophobicContact CG2-CD1 4.42Å; I214-L286 HydrophobicContact CG2-CD2 4.2Å; I214-L366 HydrophobicContact CD1-CD1 3.71Å; I214-L366 HydrophobicContact CG1-CD1 3.6Å
215	T	91.1	Very high	88.2	Confident	42 Å²	42	58.1 Å²	58.1	26%	0.258	30%	0.303	S	S	.	.	H	α-helix	trans	-59.6	-38.2	174.8	-49.4	0	0	0	0	111.4	S213 R219	S213-T215 PolarHBondContact O-N 2.91Å; T215-R219 VanDerWaalsContact O-CG 3.28Å; T215-R219 WeakPolarHBondContact O-CG 3.29Å; T215-R219 PolarHBondContact O-N 2.86Å
216	H	90.2	Very high	88.1	Confident	101 Å²	101	60.1 Å²	60.1	47%	0.468	31%	0.314	S	S	.	.	H	α-helix	trans	-70.8	-48.4	174.1	-176.2	85.8	0	0	0	111.8	T212 S213 I214 L218 R219 G220	T212-H216 PolarHBondContact OG1-CD2 2.78Å; T212-H216 VanDerWaalsContact OG1-CD2 3.27Å; S213-H216 CarbonylContact O-C 3.47Å; S213-H216 WeakPolarHBondContact O-CA 3.25Å; S213-H216 WeakPolarHBondContact O-CB 3.3Å; S213-H216 PolarHBondContact O-N 2.98Å; S213-H216 PolarHBondContact OG-N 2.83Å; S213-H216 VanDerWaalsContact OG-N 3.15Å; I214-H216 PolarHBondContact O-N 3.23Å; H216-L218 VanDerWaalsContact C-N 3.29Å; H216-L218 PolarHBondContact O-N 3.4Å; H216-R219 PolarHBondContact O-N 3.22Å; H216-R219 VanDerWaalsContact O-N 3.14Å; H216-G220 PolarHBondContact O-N 3.48Å
217	C	88.3	Confident	88.1	Confident	13 Å²	13	61.1 Å²	61.1	9%	0.088	32%	0.319	C	S	.	.	H	α-helix	trans	-54.6	-43.5	177.7	-68.9	0	0	0	0	112.1	V206 D207 S213 I214 G220 F221	V206-C217 HydrophobicContact CB-CB 4.26Å; V206-C217 HydrophobicContact CG2-CB 4.31Å; D207-C217 PolarHBondContact O-SG 2.92Å; S213-C217 PolarHBondContact O-N 2.85Å; S213-C217 PolarHBondContact O-SG 3.31Å; I214-C217 PolarHBondContact O-N 3.4Å; C217-G220 PolarHBondContact O-N 2.85Å; C217-F221 WeakPolarHBondContact O-CB 3.44Å; C217-F221 PolarHBondContact O-N 3.46Å
218	L	83.5	Confident	88.2	Confident	22 Å²	22	58.5 Å²	58.5	12%	0.115	31%	0.309	C	S	.	.	H	α-helix	trans	-73.1	-30.5	179.9	-68	172.8	0	0	0	113.3	L204 V206 I214 H216 F221 L259 L286 L288	L204-L218 HydrophobicContact CD2-CD2 3.51Å; V206-L218 HydrophobicContact CG1-CD2 3.91Å; I214-L218 HydrophobicContact CG2-CD1 3.67Å; I214-L218 HydrophobicContact CG2-CG 4.15Å; I214-L218 WeakPolarHBondContact O-CB 3.47Å; I214-L218 WeakPolarHBondContact O-CG 3.42Å; I214-L218 PolarHBondContact O-N 2.88Å; H216-L218 VanDerWaalsContact C-N 3.29Å; H216-L218 PolarHBondContact O-N 3.4Å; L218-F221 WeakPolarHBondContact O-CB 3.45Å; L218-L259 HydrophobicContact CD1-CD1 3.95Å; L218-L259 HydrophobicContact CD2-CD2 3.98Å; L218-L286 HydrophobicContact CD1-CD2 3.88Å; L218-L288 HydrophobicContact CB-CD2 4.31Å; L218-L288 HydrophobicContact CD1-CD1 4.23Å; L218-L288 HydrophobicContact CD1-CD2 3.51Å; L218-L288 HydrophobicContact CD1-CG 4.49Å
219	R	80.6	Confident	88.1	Confident	164 Å²	164	62.5 Å²	62.5	62%	0.619	34%	0.337	S	S	*	.	H	α-helix	trans	-69.1	-44.1	169.2	-73.9	174.4	-177.5	-177.3	1.8	110.8	T215 H216 F221 S222	T215-R219 VanDerWaalsContact O-CG 3.28Å; T215-R219 WeakPolarHBondContact O-CG 3.29Å; T215-R219 PolarHBondContact O-N 2.86Å; H216-R219 PolarHBondContact O-N 3.22Å; H216-R219 VanDerWaalsContact O-N 3.14Å; R219-F221 VanDerWaalsContact C-N 3.27Å; R219-F221 PolarHBondContact O-N 3.39Å; R219-S222 PolarHBondContact O-N 2.72Å; R219-S222 VanDerWaalsContact O-N 3.16Å
220	G	74.4	Confident	88.1	Confident	28 Å²	28	63.3 Å²	63.3	29%	0.289	34%	0.341	S	S	.	.	H	α-helix	trans	-60.6	-35.8	176	0	0	0	0	0	112.9	H216 C217 S222 N223	H216-G220 PolarHBondContact O-N 3.48Å; C217-G220 PolarHBondContact O-N 2.85Å; G220-S222 PolarHBondContact O-N 3.38Å; G220-S222 VanDerWaalsContact O-N 3.12Å; G220-N223 VanDerWaalsContact O-CB 3.27Å; G220-N223 WeakPolarHBondContact O-CB 3.48Å; G220-N223 PolarHBondContact O-N 3.48Å
221	F	73.4	Confident	88	Confident	42 Å²	42	68 Å²	68	18%	0.184	36%	0.357	C	S	.	.	H	α-helix	trans	-55.8	-29.3	175.6	-171.7	-92.6	0	0	0	113	L182 L204 C217 L218 R219 M248	L182-F221 HydrophobicContact CD1-CE1 3.89Å; L182-F221 HydrophobicContact CD1-CZ 3.74Å; L182-F221 HydrophobicContact CD2-CE1 3.81Å; L182-F221 HydrophobicContact CD2-CZ 4.5Å; L182-F221 HydrophobicContact CG-CE1 4.47Å; L204-F221 HydrophobicContact CD1-CD2 4.46Å; L204-F221 HydrophobicContact CD1-CE1 3.97Å; L204-F221 HydrophobicContact CD1-CE2 3.77Å; L204-F221 HydrophobicContact CD1-CZ 3.5Å; L204-F221 HydrophobicContact CG-CE2 4.45Å; C217-F221 WeakPolarHBondContact O-CB 3.44Å; C217-F221 PolarHBondContact O-N 3.46Å; L218-F221 WeakPolarHBondContact O-CB 3.45Å; R219-F221 VanDerWaalsContact C-N 3.27Å; R219-F221 PolarHBondContact O-N 3.39Å; F221-M248 HydrophobicContact CD1-CB 4.28Å; F221-M248 HydrophobicContact CE1-CB 3.67Å; F221-M248 HydrophobicContact CE1-CE 4.39Å; F221-M248 HydrophobicContact CE1-SD 4.31Å; F221-M248 HydrophobicContact CE2-SD 4.31Å; F221-M248 HydrophobicContact CZ-CB 4.09Å; F221-M248 HydrophobicContact CZ-CE 3.82Å; F221-M248 HydrophobicContact CZ-SD 3.73Å
222	S	77.6	Confident	87.9	Confident	26 Å²	26	67.1 Å²	67.1	18%	0.182	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	5.6	176.9	-65.7	0	0	0	0	115.3	R219 G220 M248	R219-S222 PolarHBondContact O-N 2.72Å; R219-S222 VanDerWaalsContact O-N 3.16Å; G220-S222 PolarHBondContact O-N 3.38Å; G220-S222 VanDerWaalsContact O-N 3.12Å; S222-M248 WeakPolarHBondContact CA-O 3.37Å; S222-M248 WeakPolarHBondContact CB-O 3.42Å; S222-M248 PolarHBondContact OG-O 2.71Å
223	N	83.5	Confident	87.8	Confident	109 Å²	109	68.7 Å²	68.7	58%	0.583	35%	0.353	S	S	*	.	S	Bend	trans	-68.5	154.1	172.9	-72.3	-15.2	0	0	0	111.2	G220	G220-N223 VanDerWaalsContact O-CB 3.27Å; G220-N223 WeakPolarHBondContact O-CB 3.48Å; G220-N223 PolarHBondContact O-N 3.48Å
224	T	86.4	Confident	87.8	Confident	72 Å²	72	72.5 Å²	72.5	44%	0.442	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-79.4	122	172.9	-62.8	0	0	0	0	110.2	H245 K246	T224-H245 HydrophobicContact CG2-CB 3.52Å; T224-K246 CarbonylContact C-O 3.59Å; T224-K246 WeakPolarHBondContact CA-O 3.3Å
225	E	89.8	Confident	87.9	Confident	115 Å²	115	72.5 Å²	72.5	54%	0.537	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	138.5	168.6	-177.8	-175.5	-167.8	0	0	109.6	L227 H245 K246	E225-L227 HydrophobicContact CG-CD2 4.46Å; E225-H245 CarbonylContact O-C 3.56Å; E225-H245 WeakPolarHBondContact O-CA 3.36Å; E225-K246 PolarHBondContact N-O 3.21Å; E225-K246 PolarHBondContact O-N 3.03Å
226	T	92.6	Very high	88.1	Confident	73 Å²	73	76.6 Å²	76.6	45%	0.448	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.5	173.3	-55.4	0	0	0	0	110	L189 C228 H245	L189-T226 HydrophobicContact CD1-CG2 4.45Å; T226-C228 PolarHBondContact O-N 3.33Å; T226-H245 PolarHBondContact OG1-CD2 3.45Å; T226-H245 PolarHBondContact OG1-NE2 2.71Å
227	L	92.3	Very high	88.4	Confident	24 Å²	24	78.2 Å²	78.2	13%	0.126	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	106.8	173.9	-59.9	-177.2	0	0	0	109.5	E225 E243 A244 K246	E225-L227 HydrophobicContact CG-CD2 4.46Å; L227-E243 VanDerWaalsContact O-CA 3.3Å; L227-E243 WeakPolarHBondContact O-CA 3.48Å; L227-A244 HydrophobicContact CB-CB 4.39Å; L227-A244 HydrophobicContact CD1-CB 4.37Å; L227-A244 PolarHBondContact N-O 2.99Å; L227-A244 PolarHBondContact O-N 2.86Å; L227-K246 HydrophobicContact CD1-CB 4.08Å; L227-K246 HydrophobicContact CD1-CD 4.29Å; L227-K246 HydrophobicContact CG-CB 4.18Å
228	C	91.8	Very high	88.8	Confident	53 Å²	53	79.4 Å²	79.4	36%	0.358	40%	0.395	S	S	.	.			trans	-132.1	174.9	-178.7	66.2	0	0	0	0	112.8	T226 E230 Y231 E243	T226-C228 PolarHBondContact O-N 3.33Å; C228-E230 PolarHBondContact O-N 3.25Å; C228-Y231 PolarHBondContact O-N 3.3Å; C228-E243 HydrophobicContact CB-CG 4.49Å
229	S	91.4	Very high	89.4	Confident	95 Å²	95	88 Å²	88	66%	0.664	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	53.5	-116.9	176.8	-55.8	0	0	0	0	113.3	Y231 K232	S229-Y231 VanDerWaalsContact C-N 3.31Å; S229-K232 WeakPolarHBondContact O-CG 3.48Å
230	E	91.3	Very high	90.2	Very high	147 Å²	147	82.2 Å²	82.2	69%	0.687	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-74.1	-21	179.8	64.4	-166	147.2	0	0	113.6	C228 K232	C228-E230 PolarHBondContact O-N 3.25Å; E230-K232 VanDerWaalsContact C-N 3.33Å; E230-K232 PolarHBondContact O-N 3.44Å
231	Y	91.1	Very high	91.2	Very high	163 Å²	163	87.4 Å²	87.4	64%	0.639	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-91.1	12.4	-177	-57.1	-72.1	0	0	0	113.7	C228 S229 Y233	C228-Y231 PolarHBondContact O-N 3.3Å; S229-Y231 VanDerWaalsContact C-N 3.31Å; Y231-Y233 PolarHBondContact O-N 3.46Å
232	K	92.9	Very high	92.4	Very high	70 Å²	70	87.1 Å²	87.1	30%	0.304	43%	0.425	S	S	.	.			trans	-54.7	132.4	178.3	-75.9	-179.3	-175	-158	0	112	S229 E230 K241 Q242 E243	S229-K232 WeakPolarHBondContact O-CG 3.48Å; E230-K232 VanDerWaalsContact C-N 3.33Å; E230-K232 PolarHBondContact O-N 3.44Å; K232-K241 HydrophobicContact CB-CB 3.92Å; K232-Q242 CarbonylContact C-O 3.57Å; K232-Q242 WeakPolarHBondContact CA-O 3.43Å; K232-Q242 WeakPolarHBondContact CB-O 3.37Å; K232-E243 HydrophobicContact CD-CG 4.23Å; K232-E243 WeakPolarHBondContact CE-OE1 3.42Å; K232-E243 HydrophobicContact CG-CG 4.15Å; K232-E243 IonicContact NZ-OE1 3.14Å; K232-E243 PolarHBondContact NZ-OE1 3.42Å; K232-E243 VanDerWaalsContact NZ-OE1 3.14Å
233	Y	92.5	Very high	93.3	Very high	48 Å²	48	89.8 Å²	89.8	19%	0.188	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	142.5	178.5	136.1	-92	0	0	0	110.5	T186 C188 Y231 C235 K241 Q242 A244	T186-Y233 HydrophobicContact CG2-CD1 4.09Å; T186-Y233 HydrophobicContact CG2-CD2 4.03Å; T186-Y233 HydrophobicContact CG2-CE1 4.23Å; T186-Y233 HydrophobicContact CG2-CE2 4.2Å; T186-Y233 HydrophobicContact CG2-CG 3.96Å; C188-Y233 HydrophobicContact CB-CE1 4.15Å; Y231-Y233 PolarHBondContact O-N 3.46Å; Y233-C235 HydrophobicContact CD1-CB 4.2Å; Y233-C235 HydrophobicContact CE1-CB 3.44Å; Y233-C235 VanDerWaalsContact CE1-CB 3.44Å; Y233-C235 VanDerWaalsContact CZ-CA 3.46Å; Y233-C235 PolarHBondContact O-N 3.19Å; Y233-C235 WeakPolarHBondContact OH-CA 3.42Å; Y233-K241 CarbonylContact O-C 3.54Å; Y233-K241 WeakPolarHBondContact O-CA 3.47Å; Y233-Q242 PolarHBondContact N-O 3Å; Y233-Q242 PolarHBondContact O-N 3.49Å; Y233-A244 HydrophobicContact CD1-CB 3.68Å; Y233-A244 HydrophobicContact CE1-CB 4.49Å; Y233-A244 HydrophobicContact CG-CB 4.17Å
234	Y	95.6	Very high	93.9	Very high	115 Å²	115	84.6 Å²	84.6	45%	0.451	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	111.8	173.9	-175.8	-92.4	0	0	0	110.2	E236	Y234-E236 WeakPolarHBondContact CD1-OE1 3.39Å
235	C	95.9	Very high	94.3	Very high	0 Å²	0	84.1 Å²	84.1	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.5	178.9	-174.3	0	0	0	0	111	Y233 E237 C238 R239 S240 Q242	Y233-C235 HydrophobicContact CD1-CB 4.2Å; Y233-C235 HydrophobicContact CE1-CB 3.44Å; Y233-C235 VanDerWaalsContact CE1-CB 3.44Å; Y233-C235 VanDerWaalsContact CZ-CA 3.46Å; Y233-C235 PolarHBondContact O-N 3.19Å; Y233-C235 WeakPolarHBondContact OH-CA 3.42Å; C235-E237 VanDerWaalsContact C-N 3.3Å; C235-E237 PolarHBondContact O-N 2.93Å; C235-C238 HydrophobicContact CB-CB 3.98Å; C235-C238 PolarHBondContact O-N 3.43Å; C235-R239 VanDerWaalsContact O-CA 3.26Å; C235-R239 WeakPolarHBondContact O-CA 3.38Å; C235-R239 PolarHBondContact O-N 3.46Å; C235-S240 PolarHBondContact N-O 3.11Å; C235-S240 PolarHBondContact O-N 2.95Å; C235-Q242 HydrophobicContact CB-CB 4.36Å; C235-Q242 HydrophobicContact CB-CG 4.01Å
236	E	95.3	Very high	94.4	Very high	128 Å²	128	81.7 Å²	81.7	60%	0.598	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-33.1	178.1	-63.5	-59.2	155.2	0	0	112.6	Y234 R239	Y234-E236 WeakPolarHBondContact CD1-OE1 3.39Å; E236-R239 VanDerWaalsContact O-CG 3.25Å; E236-R239 WeakPolarHBondContact O-CG 3.43Å
237	E	96.4	Very high	94.2	Very high	135 Å²	135	82.8 Å²	82.8	63%	0.631	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-43.6	176.8	-62.8	-57.1	148.1	0	0	112	T193 C235 R239	T193-E237 HydrophobicContact CG2-CG 3.77Å; C235-E237 VanDerWaalsContact C-N 3.3Å; C235-E237 PolarHBondContact O-N 2.93Å; E237-R239 VanDerWaalsContact C-N 3.3Å
238	C	96.1	Very high	94	Very high	38 Å²	38	83.7 Å²	83.7	26%	0.257	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-9.9	175.6	-57.6	0	0	0	0	113.6	C191 C235 S240 Q242	C191-C238 VanDerWaalsContact CB-SG 3.57Å; C235-C238 HydrophobicContact CB-CB 3.98Å; C235-C238 PolarHBondContact O-N 3.43Å; C238-S240 PolarHBondContact O-N 2.91Å; C238-S240 VanDerWaalsContact O-N 3.14Å; C238-S240 PolarHBondContact O-OG 3.47Å; C238-Q242 HydrophobicContact CB-CG 3.84Å
239	R	96.4	Very high	93.6	Very high	202 Å²	202	84 Å²	84	76%	0.762	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	38.8	-174.4	-58.1	179.7	-179.4	-179.1	-0.4	113.6	C235 E236 E237	C235-R239 VanDerWaalsContact O-CA 3.26Å; C235-R239 WeakPolarHBondContact O-CA 3.38Å; C235-R239 PolarHBondContact O-N 3.46Å; E236-R239 VanDerWaalsContact O-CG 3.25Å; E236-R239 WeakPolarHBondContact O-CG 3.43Å; E237-R239 VanDerWaalsContact C-N 3.3Å
240	S	96.6	Very high	93.3	Very high	44 Å²	44	80.3 Å²	80.3	31%	0.308	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	165.3	-174.3	51	0	0	0	0	111.8	C235 C238 Q242	C235-S240 PolarHBondContact N-O 3.11Å; C235-S240 PolarHBondContact O-N 2.95Å; C238-S240 PolarHBondContact O-N 2.91Å; C238-S240 VanDerWaalsContact O-N 3.14Å; C238-S240 PolarHBondContact O-OG 3.47Å; S240-Q242 PolarHBondContact O-N 3.49Å; S240-Q242 PolarHBondContact OG-NE2 3.32Å
241	K	97.1	Very high	93	Very high	137 Å²	137	76.4 Å²	76.4	60%	0.596	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.1	175.6	-74.4	-168.5	178.6	-171.1	0	110.8	K232 Y233	K232-K241 HydrophobicContact CB-CB 3.92Å; Y233-K241 CarbonylContact O-C 3.54Å; Y233-K241 WeakPolarHBondContact O-CA 3.47Å
242	Q	97.3	Very high	92.9	Very high	36 Å²	36	73.7 Å²	73.7	17%	0.168	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	157.7	-177.4	-60.6	-57.7	-32.5	0	0	111	T190 K232 Y233 C235 C238 S240	T190-Q242 PolarHBondContact OG1-OE1 2.87Å; K232-Q242 CarbonylContact C-O 3.57Å; K232-Q242 WeakPolarHBondContact CA-O 3.43Å; K232-Q242 WeakPolarHBondContact CB-O 3.37Å; Y233-Q242 PolarHBondContact N-O 3Å; Y233-Q242 PolarHBondContact O-N 3.49Å; C235-Q242 HydrophobicContact CB-CB 4.36Å; C235-Q242 HydrophobicContact CB-CG 4.01Å; C238-Q242 HydrophobicContact CB-CG 3.84Å; S240-Q242 PolarHBondContact O-N 3.49Å; S240-Q242 PolarHBondContact OG-NE2 3.32Å
243	E	97.1	Very high	92.9	Very high	81 Å²	81	71.1 Å²	71.1	38%	0.379	32%	0.316	S	S	.	.			trans	-71.1	143.4	167.1	-63.9	173.2	-168.4	0	0	108.8	L189 L227 C228 K232	L189-E243 HydrophobicContact CB-CB 4.39Å; L189-E243 WeakPolarHBondContact CB-O 3.31Å; L189-E243 HydrophobicContact CD1-CB 4.04Å; L189-E243 PolarHBondContact N-O 3.22Å; L227-E243 VanDerWaalsContact O-CA 3.3Å; L227-E243 WeakPolarHBondContact O-CA 3.48Å; C228-E243 HydrophobicContact CB-CG 4.49Å; K232-E243 HydrophobicContact CD-CG 4.23Å; K232-E243 WeakPolarHBondContact CE-OE1 3.42Å; K232-E243 HydrophobicContact CG-CG 4.15Å; K232-E243 IonicContact NZ-OE1 3.14Å; K232-E243 PolarHBondContact NZ-OE1 3.42Å; K232-E243 VanDerWaalsContact NZ-OE1 3.14Å
244	A	96.3	Very high	93	Very high	0 Å²	0	69 Å²	69	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152.6	-174.9	0	0	0	0	0	111.9	T186 R187 L227 Y233	T186-A244 HydrophobicContact CG2-CB 3.83Å; R187-A244 CarbonylContact O-C 3.55Å; R187-A244 WeakPolarHBondContact O-CA 3.28Å; R187-A244 WeakPolarHBondContact O-CB 3.2Å; L227-A244 HydrophobicContact CB-CB 4.39Å; L227-A244 HydrophobicContact CD1-CB 4.37Å; L227-A244 PolarHBondContact N-O 2.99Å; L227-A244 PolarHBondContact O-N 2.86Å; Y233-A244 HydrophobicContact CD1-CB 3.68Å; Y233-A244 HydrophobicContact CE1-CB 4.49Å; Y233-A244 HydrophobicContact CG-CB 4.17Å
245	H	95.3	Very high	93	Very high	63 Å²	63	66.7 Å²	66.7	29%	0.292	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.2	166.3	-78.9	176.6	0	0	0	109.1	T186 R187 T224 E225 T226	T186-H245 CarbonylContact C-O 3.52Å; T186-H245 WeakPolarHBondContact CA-O 3.26Å; R187-H245 HydrophobicContact CB-CB 4.37Å; R187-H245 PolarHBondContact N-O 3.14Å; R187-H245 PolarHBondContact O-N 2.86Å; T224-H245 HydrophobicContact CG2-CB 3.52Å; E225-H245 CarbonylContact O-C 3.56Å; E225-H245 WeakPolarHBondContact O-CA 3.36Å; T226-H245 PolarHBondContact OG1-CD2 3.45Å; T226-H245 PolarHBondContact OG1-NE2 2.71Å
246	K	91.9	Very high	93.1	Very high	64 Å²	64	66.7 Å²	66.7	28%	0.278	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.6	176.6	-172.6	-176.3	175.1	-162.2	0	109.4	N184 E185 T224 E225 L227	N184-K246 WeakPolarHBondContact OD1-CE 3.47Å; N184-K246 WeakPolarHBondContact OD1-CG 3.49Å; E185-K246 CarbonylContact O-C 3.56Å; E185-K246 WeakPolarHBondContact O-CA 3.49Å; T224-K246 CarbonylContact C-O 3.59Å; T224-K246 WeakPolarHBondContact CA-O 3.3Å; E225-K246 PolarHBondContact N-O 3.21Å; E225-K246 PolarHBondContact O-N 3.03Å; L227-K246 HydrophobicContact CD1-CB 4.08Å; L227-K246 HydrophobicContact CD1-CD 4.29Å; L227-K246 HydrophobicContact CG-CB 4.18Å
247	R	88.4	Confident	93.2	Very high	95 Å²	95	60.7 Å²	60.7	36%	0.358	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	148.6	172.6	66.2	177.8	-178.5	-178.6	0.7	111.1	E185	E185-R247 HydrophobicContact CB-CG 3.97Å; E185-R247 PolarHBondContact N-O 3.27Å; E185-R247 PolarHBondContact O-N 3.15Å; E185-R247 IonicContact OE1-NH2 3.3Å; E185-R247 IonicContact OE2-CZ 2.86Å; E185-R247 IonicContact OE2-NE 3.3Å; E185-R247 PolarHBondContact OE2-NE 3.19Å; E185-R247 IonicContact OE2-NH2 3.43Å; E185-R247 PolarHBondContact OE2-NH2 3.45Å
248	M	86.9	Confident	93.3	Very high	44 Å²	44	54.2 Å²	54.2	22%	0.217	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.9	176.2	-61.3	-176.1	77.1	0	0	110.1	L182 F221 S222	L182-M248 HydrophobicContact CB-CE 4.5Å; L182-M248 HydrophobicContact CD1-CE 3.69Å; F221-M248 HydrophobicContact CD1-CB 4.28Å; F221-M248 HydrophobicContact CE1-CB 3.67Å; F221-M248 HydrophobicContact CE1-CE 4.39Å; F221-M248 HydrophobicContact CE1-SD 4.31Å; F221-M248 HydrophobicContact CE2-SD 4.31Å; F221-M248 HydrophobicContact CZ-CB 4.09Å; F221-M248 HydrophobicContact CZ-CE 3.82Å; F221-M248 HydrophobicContact CZ-SD 3.73Å; S222-M248 WeakPolarHBondContact CA-O 3.37Å; S222-M248 WeakPolarHBondContact CB-O 3.42Å; S222-M248 PolarHBondContact OG-O 2.71Å
249	R	84.2	Confident	93.4	Very high	59 Å²	59	52.4 Å²	52.4	22%	0.223	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.9	179.7	-68.2	173.6	78.2	-176.8	7.5	109.4	L182 T183 E185 K251 T291	L182-R249 CarbonylContact C-O 3.54Å; L182-R249 VanDerWaalsContact CA-O 3.23Å; L182-R249 WeakPolarHBondContact CA-O 3.34Å; T183-R249 PolarHBondContact N-O 3.34Å; T183-R249 PolarHBondContact O-N 2.9Å; E185-R249 WeakPolarHBondContact OE1-CD 3.44Å; E185-R249 IonicContact OE1-CZ 3.68Å; E185-R249 IonicContact OE1-NH1 2.73Å; E185-R249 PolarHBondContact OE1-NH1 2.66Å; R249-K251 PolarHBondContact O-N 3.04Å; R249-T291 WeakPolarHBondContact CA-OG1 3.24Å; R249-T291 WeakPolarHBondContact CB-OG1 3.43Å; R249-T291 PolarHBondContact NE-O 2.68Å; R249-T291 PolarHBondContact NH2-O 3.45Å
250	V	84	Confident	93.5	Very high	18 Å²	18	43.5 Å²	43.5	11%	0.109	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	122	166.5	-171.8	0	0	0	0	108	L182 L253 N290 T291 S292	L182-V250 HydrophobicContact CD2-CB 4.27Å; L182-V250 HydrophobicContact CD2-CG2 3.79Å; V250-L253 HydrophobicContact CG1-CD2 3.71Å; V250-L253 HydrophobicContact CG1-CG 3.8Å; V250-N290 PolarHBondContact O-OD1 2.86Å; V250-T291 PolarHBondContact N-OG1 3.01Å; V250-T291 PolarHBondContact O-N 2.86Å; V250-T291 PolarHBondContact O-OG1 2.86Å; V250-S292 PolarHBondContact O-N 2.79Å
251	K	86.3	Confident	93.5	Very high	65 Å²	65	41.4 Å²	41.4	28%	0.283	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-41.5	177.3	177.3	173.8	-179.1	173.2	0	112.1	T181 T183 D198 R249 N290 D294	T181-K251 PolarHBondContact O-N 2.6Å; T183-K251 WeakPolarHBondContact OG1-CD 3.35Å; D198-K251 IonicContact OD1-NZ 3.06Å; D198-K251 IonicContact OD2-NZ 3.92Å; D198-K251 PolarHBondContact OD2-NZ 2.84Å; R249-K251 PolarHBondContact O-N 3.04Å; K251-N290 PolarHBondContact O-ND2 2.83Å; K251-N290 PolarHBondContact O-OD1 2.85Å; K251-D294 WeakPolarHBondContact CE-OD2 3.26Å; K251-D294 IonicContact NZ-OD2 3.83Å
252	K	89	Confident	93.4	Very high	105 Å²	105	38.5 Å²	38.5	46%	0.457	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.6	174.6	-176.7	-174	170.5	-164.9	0	109.8	G180 T181	G180-K252 CarbonylContact C-O 3.56Å; G180-K252 WeakPolarHBondContact CA-O 3.29Å; T181-K252 PolarHBondContact N-O 3.21Å; T181-K252 PolarHBondContact O-N 2.91Å
253	L	91.1	Very high	93.2	Very high	17 Å²	17	36.8 Å²	36.8	9%	0.089	16%	0.164	C	C	.	.			trans	-91.2	136.7	175.5	-80.4	168.1	0	0	0	110.7	V250 L288 R300 Y302	V250-L253 HydrophobicContact CG1-CD2 3.71Å; V250-L253 HydrophobicContact CG1-CG 3.8Å; L253-L288 HydrophobicContact CD1-CB 4.02Å; L253-L288 HydrophobicContact CD2-CB 4.43Å; L253-L288 HydrophobicContact CD2-CD1 3.92Å; L253-R300 HydrophobicContact CD1-CB 4.04Å; L253-R300 PolarHBondContact O-NH1 2.8Å; L253-Y302 WeakPolarHBondContact CB-OH 3.42Å; L253-Y302 HydrophobicContact CD1-CE2 4.45Å
254	P	94.6	Very high	93	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.019	15%	0.152	C	C	.	.			trans	-76.1	161.9	179.7	32.5	-36.7	0	0	0	112.5	F178 F201 I256 L257 R300 Y302	F178-P254 VanDerWaalsContact C-CB 3.47Å; F178-P254 VanDerWaalsContact O-CB 3.24Å; F178-P254 WeakPolarHBondContact O-CB 3.34Å; F201-P254 HydrophobicContact CE2-CG 4.36Å; P254-I256 VanDerWaalsContact C-N 3.34Å; P254-I256 WeakPolarHBondContact CB-O 3.33Å; P254-I256 WeakPolarHBondContact CG-O 3.35Å; P254-L257 HydrophobicContact CG-CB 3.94Å; P254-L257 HydrophobicContact CG-CD1 3.82Å; P254-R300 PolarHBondContact O-NH1 3.07Å; P254-Y302 WeakPolarHBondContact O-CE1 3.2Å; P254-Y302 PolarHBondContact O-OH 3.33Å
255	M	96	Very high	92.6	Very high	66 Å²	66	40.1 Å²	40.1	33%	0.325	18%	0.177	S	C	.	.	S	Bend	trans	-64	-41.7	172.6	178.8	-170.9	-67.6	0	0	111.3	P62 I177 S370	P62-M255 HydrophobicContact CB-SD 3.64Å; P62-M255 HydrophobicContact CG-SD 3.61Å; I177-M255 HydrophobicContact CG1-SD 4.48Å; I177-M255 WeakPolarHBondContact O-CB 3.25Å; I177-M255 PolarHBondContact O-N 3.48Å; M255-S370 PolarHBondContact O-N 3Å; M255-S370 PolarHBondContact O-OG 3.18Å
256	I	98.2	Very high	92.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.8	170.3	-58.1	-177.3	0	0	0	108.2	C60 P62 I177 F178 P254 F367 Y368 Q369	C60-I256 HydrophobicContact CB-CD1 3.55Å; P62-I256 HydrophobicContact CG-CD1 4.26Å; I177-I256 HydrophobicContact CG2-CB 4.01Å; I177-I256 HydrophobicContact CG2-CD1 3.61Å; I177-I256 HydrophobicContact CG2-CG1 3.76Å; I177-I256 PolarHBondContact O-N 2.53Å; F178-I256 HydrophobicContact CD1-CB 3.95Å; F178-I256 HydrophobicContact CD1-CG2 4.03Å; F178-I256 HydrophobicContact CE1-CB 3.77Å; F178-I256 HydrophobicContact CE1-CD1 4.43Å; F178-I256 HydrophobicContact CE1-CG2 3.52Å; F178-I256 HydrophobicContact CZ-CB 4.49Å; F178-I256 HydrophobicContact CZ-CD1 4.37Å; F178-I256 HydrophobicContact CZ-CG2 4.39Å; P254-I256 VanDerWaalsContact C-N 3.34Å; P254-I256 WeakPolarHBondContact CB-O 3.33Å; P254-I256 WeakPolarHBondContact CG-O 3.35Å; I256-F367 HydrophobicContact CG2-CB 4.48Å; I256-F367 HydrophobicContact CG2-CD1 4.15Å; I256-Y368 CarbonylContact C-O 3.46Å; I256-Y368 VanDerWaalsContact CA-O 3.29Å; I256-Y368 WeakPolarHBondContact CA-O 3.26Å; I256-Q369 HydrophobicContact CG1-CB 4.45Å; I256-Q369 HydrophobicContact CG1-CG 4.32Å
257	L	97.5	Very high	91.9	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	105.2	174.6	180	64.3	0	0	0	109.2	F201 P254 L259 L288 Y302 Y368	F201-L257 HydrophobicContact CE2-CD1 4.06Å; P254-L257 HydrophobicContact CG-CB 3.94Å; P254-L257 HydrophobicContact CG-CD1 3.82Å; L257-L259 HydrophobicContact CD1-CD2 3.86Å; L257-L259 HydrophobicContact CD2-CD1 4.28Å; L257-L259 HydrophobicContact CD2-CD2 3.83Å; L257-L259 HydrophobicContact CD2-CG 4.12Å; L257-L259 HydrophobicContact CG-CD2 3.67Å; L257-L259 HydrophobicContact CG-CG 3.92Å; L257-L288 HydrophobicContact CD2-CD1 3.29Å; L257-Y302 HydrophobicContact CB-CD1 4.29Å; L257-Y302 HydrophobicContact CB-CE1 3.89Å; L257-Y368 PolarHBondContact N-O 3.31Å; L257-Y368 PolarHBondContact O-N 2.77Å
258	A	98.5	Very high	91.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	118.2	167.3	0	0	0	0	0	109.3	L129 D203 L204 L366 F367	L129-A258 HydrophobicContact CD2-CB 4.5Å; D203-A258 CarbonylContact C-O 3.53Å; D203-A258 WeakPolarHBondContact CA-O 3.17Å; D203-A258 HydrophobicContact CB-CB 3.93Å; L204-A258 PolarHBondContact N-O 3Å; A258-L366 CarbonylContact C-O 3.54Å; A258-L366 WeakPolarHBondContact CA-O 3.13Å; A258-F367 HydrophobicContact CB-CD1 4.24Å; A258-F367 HydrophobicContact CB-CE1 4.09Å
259	L	98	Very high	92	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.3	176.6	-61.4	178.1	0	0	0	109.6	L204 I214 L218 L257 L286 I365 L366 Y368	L204-L259 HydrophobicContact CB-CD2 3.84Å; L204-L259 HydrophobicContact CD2-CD2 4.16Å; L204-L259 HydrophobicContact CG-CD2 4.44Å; L204-L259 WeakPolarHBondContact O-CA 3.31Å; I214-L259 HydrophobicContact CG2-CD1 3.5Å; I214-L259 VanDerWaalsContact CG2-CD1 3.5Å; L218-L259 HydrophobicContact CD1-CD1 3.95Å; L218-L259 HydrophobicContact CD2-CD2 3.98Å; L257-L259 HydrophobicContact CD1-CD2 3.86Å; L257-L259 HydrophobicContact CD2-CD1 4.28Å; L257-L259 HydrophobicContact CD2-CD2 3.83Å; L257-L259 HydrophobicContact CD2-CG 4.12Å; L257-L259 HydrophobicContact CG-CD2 3.67Å; L257-L259 HydrophobicContact CG-CG 3.92Å; L259-L286 HydrophobicContact CD1-CD2 4.28Å; L259-I365 CarbonylContact O-C 3.52Å; L259-I365 VanDerWaalsContact O-CA 3.31Å; L259-I365 WeakPolarHBondContact O-CA 3.44Å; L259-L366 HydrophobicContact CB-CB 4.24Å; L259-L366 PolarHBondContact N-O 3.39Å; L259-L366 PolarHBondContact O-N 3.14Å; L259-Y368 HydrophobicContact CD1-CD2 3.9Å; L259-Y368 HydrophobicContact CD1-CE2 3.9Å; L259-Y368 HydrophobicContact CG-CD2 4.45Å
260	H	98.1	Very high	92.2	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.065	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.3	172.6	163.6	-130.6	0	0	0	109.9	H126 L204 S205 V206 Y364	H126-H260 VanDerWaalsContact CD2-CB 3.4Å; H126-H260 WeakPolarHBondContact CD2-CB 3.34Å; H126-H260 AromaticContact CD2-CG 3.43Å; H126-H260 VanDerWaalsContact CD2-CG 3.43Å; H126-H260 AromaticContact CD2-ND1 3.69Å; H126-H260 AromaticContact CE1-CE1 3.99Å; H126-H260 AromaticContact CE1-CG 3.96Å; H126-H260 AromaticContact CE1-ND1 3.4Å; H126-H260 PolarHBondContact CE1-ND1 3.33Å; H126-H260 AromaticContact CG-CD2 3.8Å; H126-H260 AromaticContact CG-CE1 3.8Å; H126-H260 AromaticContact CG-CG 3.53Å; H126-H260 AromaticContact CG-ND1 3.55Å; H126-H260 AromaticContact ND1-CE1 3.55Å; H126-H260 AromaticContact ND1-CG 3.88Å; H126-H260 AromaticContact ND1-ND1 3.38Å; H126-H260 PolarHBondContact ND1-ND1 3Å; H126-H260 AromaticContact NE2-CG 3.69Å; H126-H260 AromaticContact NE2-ND1 3.57Å; L204-H260 PolarHBondContact O-N 3.42Å; S205-H260 CarbonylContact C-O 3.55Å; S205-H260 WeakPolarHBondContact CA-O 3.4Å; S205-H260 PolarHBondContact OG-ND1 2.69Å; V206-H260 PolarHBondContact N-O 2.89Å; H260-Y364 AromaticContact CD2-CE2 3.8Å; H260-Y364 AromaticContact CD2-CZ 3.78Å; H260-Y364 AromaticContact NE2-CE2 3.47Å; H260-Y364 WeakPolarHBondContact NE2-CE2 3.44Å; H260-Y364 AromaticContact NE2-CZ 3.44Å; H260-Y364 PolarHBondContact NE2-OH 2.94Å
261	L	97.1	Very high	92.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.5	175.5	-52.2	-166.5	0	0	0	108.4	V206 V208 I214 R263 V280 G363 Y364 L366	V206-L261 HydrophobicContact CG2-CD2 3.46Å; V206-L261 VanDerWaalsContact CG2-CD2 3.46Å; V208-L261 HydrophobicContact CG1-CB 3.91Å; V208-L261 HydrophobicContact CG1-CD2 4.5Å; I214-L261 HydrophobicContact CD1-CD1 4.07Å; I214-L261 HydrophobicContact CD1-CD2 3.27Å; I214-L261 HydrophobicContact CD1-CG 4.32Å; L261-R263 HydrophobicContact CB-CG 4.1Å; L261-R263 PolarHBondContact O-N 3.16Å; L261-V280 HydrophobicContact CD1-CB 4.34Å; L261-V280 HydrophobicContact CD1-CG1 4.11Å; L261-G363 WeakPolarHBondContact CD1-O 3.33Å; L261-Y364 PolarHBondContact N-O 2.96Å; L261-L366 HydrophobicContact CD1-CD1 4.4Å; L261-L366 HydrophobicContact CD2-CD1 4.27Å
262	K	95.1	Very high	92.4	Very high	76 Å²	76	61 Å²	61	33%	0.33	28%	0.275	S	S	.	.			trans	-69.2	68.8	-178.8	-67.2	175	-179.8	172.1	0	111.9	V206 D207 F264	V206-K262 WeakPolarHBondContact O-CB 3.44Å; V206-K262 PolarHBondContact O-N 3.12Å; D207-K262 WeakPolarHBondContact OD1-CD 3.3Å; D207-K262 IonicContact OD1-NZ 3.66Å; D207-K262 PolarHBondContact OD1-NZ 2.82Å; D207-K262 IonicContact OD2-NZ 2.64Å; D207-K262 PolarHBondContact OD2-NZ 3.35Å; K262-F264 VanDerWaalsContact C-N 3.34Å
263	R	94.5	Very high	92.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	28%	0.279	C	S	.	.			trans	-82.5	-12.7	-178.4	-68.8	-177.3	178.7	-81.7	8.3	112.2	V208 L261 K275 L276 Y278 Y350 G363 Y364	V208-R263 HydrophobicContact CG2-CG 4.23Å; L261-R263 HydrophobicContact CB-CG 4.1Å; L261-R263 PolarHBondContact O-N 3.16Å; R263-K275 CarbonylContact O-C 3.56Å; R263-K275 VanDerWaalsContact O-CA 3.3Å; R263-K275 WeakPolarHBondContact O-CA 3.46Å; R263-L276 PolarHBondContact NH1-O 3.42Å; R263-L276 VanDerWaalsContact NH1-O 3.15Å; R263-L276 WeakPolarHBondContact O-CB 3.31Å; R263-L276 WeakPolarHBondContact O-CG 3.31Å; R263-L276 PolarHBondContact O-N 2.94Å; R263-Y278 PolarHBondContact NH1-O 2.64Å; R263-Y278 PolarHBondContact NH2-O 2.89Å; R263-Y350 PolarHBondContact NH2-O 3.46Å; R263-G363 PolarHBondContact NE-O 3.08Å; R263-Y364 HydrophobicContact CB-CD2 4.4Å
264	F	91.8	Very high	92.1	Very high	30 Å²	30	62.8 Å²	62.8	13%	0.132	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.8	174.6	-58.2	-53.5	0	0	0	110.3	K262 T274 K275 H310 P315 Y364	K262-F264 VanDerWaalsContact C-N 3.34Å; F264-T274 WeakPolarHBondContact CA-O 3.27Å; F264-K275 HydrophobicContact CD1-CB 4.07Å; F264-K275 HydrophobicContact CD1-CG 4.24Å; F264-K275 HydrophobicContact CE1-CB 3.93Å; F264-K275 HydrophobicContact CE1-CD 4.4Å; F264-K275 HydrophobicContact CE1-CG 3.86Å; F264-H310 AromaticContact CZ-CE1 3.89Å; F264-H310 AromaticContact CZ-ND1 3.85Å; F264-P315 HydrophobicContact CD1-CB 3.76Å; F264-P315 HydrophobicContact CD1-CG 4.21Å; F264-P315 HydrophobicContact CD2-CB 4.11Å; F264-P315 HydrophobicContact CE1-CB 3.81Å; F264-P315 HydrophobicContact CE2-CB 4.15Å; F264-P315 HydrophobicContact CG-CB 3.92Å; F264-P315 HydrophobicContact CZ-CB 4.02Å; F264-Y364 AromaticContact CD2-CE2 3.81Å; F264-Y364 HydrophobicContact CD2-CE2 3.81Å; F264-Y364 AromaticContact CD2-CZ 3.82Å; F264-Y364 VanDerWaalsContact CD2-OH 3.29Å; F264-Y364 WeakPolarHBondContact CD2-OH 3.44Å; F264-Y364 HydrophobicContact CE2-CD2 4.39Å; F264-Y364 HydrophobicContact CE2-CE1 4.28Å; F264-Y364 AromaticContact CE2-CE2 3.54Å; F264-Y364 HydrophobicContact CE2-CE2 3.54Å; F264-Y364 AromaticContact CE2-CZ 3.47Å; F264-Y364 VanDerWaalsContact CE2-CZ 3.47Å; F264-Y364 VanDerWaalsContact CE2-OH 3.32Å; F264-Y364 WeakPolarHBondContact CE2-OH 3.37Å; F264-Y364 HydrophobicContact CZ-CE2 4.34Å
265	K	88.9	Confident	92	Very high	121 Å²	121	63.4 Å²	63.4	53%	0.526	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.8	179.2	-173.6	172.3	-178.6	174.7	0	110.2	M267 Y273 T274 L276	K265-M267 PolarHBondContact O-N 3.01Å; K265-Y273 WeakPolarHBondContact O-CA 3.42Å; K265-T274 PolarHBondContact N-O 2.96Å; K265-T274 PolarHBondContact O-N 3.34Å; K265-T274 PolarHBondContact O-OG1 2.91Å; K265-L276 HydrophobicContact CB-CD1 4.06Å; K265-L276 HydrophobicContact CB-CD2 4.24Å; K265-L276 HydrophobicContact CB-CG 4.16Å; K265-L276 HydrophobicContact CD-CD1 4.37Å
266	Y	87.5	Confident	91.8	Very high	93 Å²	93	61.2 Å²	61.2	37%	0.365	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.7	171.1	-170.4	-100.2	0	0	0	109.5	E268 Q271 Y273	Y266-E268 HydrophobicContact CD1-CG 4.3Å; Y266-E268 HydrophobicContact CE1-CG 4.28Å; Y266-Q271 WeakPolarHBondContact OH-CA 3.46Å; Y266-Q271 PolarHBondContact OH-OE1 3.41Å; Y266-Y273 HydrophobicContact CD2-CD1 4.47Å; Y266-Y273 AromaticContact CD2-CD2 3.87Å; Y266-Y273 HydrophobicContact CD2-CD2 3.87Å; Y266-Y273 HydrophobicContact CD2-CE1 4.4Å; Y266-Y273 AromaticContact CD2-CE2 3.79Å; Y266-Y273 HydrophobicContact CD2-CE2 3.79Å; Y266-Y273 HydrophobicContact CD2-CG 4.22Å
267	M	84.5	Confident	91.5	Very high	61 Å²	61	62.2 Å²	62.2	30%	0.3	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	104.8	179.2	-66.7	-70.2	-86.1	0	0	108.6	K265 Q269 L270 Q271 R272 T274	K265-M267 PolarHBondContact O-N 3.01Å; M267-Q269 PolarHBondContact O-N 3.31Å; M267-L270 HydrophobicContact CB-CB 4.21Å; M267-L270 HydrophobicContact CB-CD1 4.19Å; M267-L270 HydrophobicContact CB-CG 4.43Å; M267-L270 CarbonylContact O-C 3.55Å; M267-L270 PolarHBondContact O-N 2.95Å; M267-Q271 PolarHBondContact O-N 3.04Å; M267-R272 PolarHBondContact N-O 3.44Å; M267-T274 HydrophobicContact CB-CG2 4.21Å; M267-T274 HydrophobicContact CG-CG2 3.71Å; M267-T274 WeakPolarHBondContact CG-OG1 3.22Å
268	E	88.6	Confident	91.4	Very high	152 Å²	152	64.8 Å²	64.8	71%	0.71	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-56.1	-39	-178.2	-68.1	-177.1	175.6	0	0	112.4	Y266 L270 Q271	Y266-E268 HydrophobicContact CD1-CG 4.3Å; Y266-E268 HydrophobicContact CE1-CG 4.28Å; E268-L270 PolarHBondContact O-N 2.88Å; E268-Q271 PolarHBondContact O-N 3.33Å; E268-Q271 PolarHBondContact O-NE2 3.19Å
269	Q	89.4	Confident	91.3	Very high	181 Å²	181	68.2 Å²	68.2	85%	0.846	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-59.5	-30.2	177.6	-64.2	175.9	-12	0	0	113.2	M267	M267-Q269 PolarHBondContact O-N 3.31Å
270	L	86.5	Confident	91.2	Very high	86 Å²	86	68.2 Å²	68.2	45%	0.45	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-106.2	-4.8	-177.3	-61.2	170.9	0	0	0	112.5	M267 E268 R272 T274	M267-L270 HydrophobicContact CB-CB 4.21Å; M267-L270 HydrophobicContact CB-CD1 4.19Å; M267-L270 HydrophobicContact CB-CG 4.43Å; M267-L270 CarbonylContact O-C 3.55Å; M267-L270 PolarHBondContact O-N 2.95Å; E268-L270 PolarHBondContact O-N 2.88Å; L270-R272 HydrophobicContact CB-CG 3.89Å; L270-R272 PolarHBondContact O-N 3.22Å; L270-R272 VanDerWaalsContact O-N 3.16Å; L270-T274 HydrophobicContact CD1-CG2 4.1Å
271	Q	90	Very high	91.2	Very high	136 Å²	136	69.2 Å²	69.2	64%	0.636	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	35.2	-175.1	-65.9	-70.8	-63.2	0	0	113.5	Y266 M267 E268	Y266-Q271 WeakPolarHBondContact OH-CA 3.46Å; Y266-Q271 PolarHBondContact OH-OE1 3.41Å; M267-Q271 PolarHBondContact O-N 3.04Å; E268-Q271 PolarHBondContact O-N 3.33Å; E268-Q271 PolarHBondContact O-NE2 3.19Å
272	R	86.3	Confident	91.2	Very high	137 Å²	137	69.2 Å²	69.2	52%	0.517	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	159.9	-178.8	66.1	-176.3	161.6	87.8	-2	112.6	M267 L270 T274	M267-R272 PolarHBondContact N-O 3.44Å; L270-R272 HydrophobicContact CB-CG 3.89Å; L270-R272 PolarHBondContact O-N 3.22Å; L270-R272 VanDerWaalsContact O-N 3.16Å; R272-T274 HydrophobicContact CG-CG2 4.47Å
273	Y	85.6	Confident	91.3	Very high	139 Å²	139	67.2 Å²	67.2	55%	0.545	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	141.6	167.8	-73.1	-86.2	0	0	0	111.7	K265 Y266	K265-Y273 WeakPolarHBondContact O-CA 3.42Å; Y266-Y273 HydrophobicContact CD2-CD1 4.47Å; Y266-Y273 AromaticContact CD2-CD2 3.87Å; Y266-Y273 HydrophobicContact CD2-CD2 3.87Å; Y266-Y273 HydrophobicContact CD2-CE1 4.4Å; Y266-Y273 AromaticContact CD2-CE2 3.79Å; Y266-Y273 HydrophobicContact CD2-CE2 3.79Å; Y266-Y273 HydrophobicContact CD2-CG 4.22Å
274	T	87.9	Confident	91.5	Very high	21 Å²	21	70.4 Å²	70.4	13%	0.129	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.3	175.9	61.9	0	0	0	0	109.8	F264 K265 M267 L270 R272	F264-T274 WeakPolarHBondContact CA-O 3.27Å; K265-T274 PolarHBondContact N-O 2.96Å; K265-T274 PolarHBondContact O-N 3.34Å; K265-T274 PolarHBondContact O-OG1 2.91Å; M267-T274 HydrophobicContact CB-CG2 4.21Å; M267-T274 HydrophobicContact CG-CG2 3.71Å; M267-T274 WeakPolarHBondContact CG-OG1 3.22Å; L270-T274 HydrophobicContact CD1-CG2 4.1Å; R272-T274 HydrophobicContact CG-CG2 4.47Å
275	K	91.6	Very high	91.7	Very high	17 Å²	17	74.7 Å²	74.7	7%	0.074	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.5	173.6	-172.1	-169.2	-179.8	-171.7	0	110.1	R263 F264 S277 H310 G312 S313 S360	R263-K275 CarbonylContact O-C 3.56Å; R263-K275 VanDerWaalsContact O-CA 3.3Å; R263-K275 WeakPolarHBondContact O-CA 3.46Å; F264-K275 HydrophobicContact CD1-CB 4.07Å; F264-K275 HydrophobicContact CD1-CG 4.24Å; F264-K275 HydrophobicContact CE1-CB 3.93Å; F264-K275 HydrophobicContact CE1-CD 4.4Å; F264-K275 HydrophobicContact CE1-CG 3.86Å; K275-S277 PolarHBondContact O-N 3.08Å; K275-H310 WeakPolarHBondContact CE-ND1 3.07Å; K275-H310 PolarHBondContact NZ-ND1 3.13Å; K275-H310 PolarHBondContact NZ-O 2.85Å; K275-G312 WeakPolarHBondContact CD-O 3.16Å; K275-G312 WeakPolarHBondContact CE-O 3.2Å; K275-G312 PolarHBondContact NZ-O 3.38Å; K275-S313 WeakPolarHBondContact CB-O 3.41Å; K275-S360 PolarHBondContact NZ-O 3.43Å; K275-S360 PolarHBondContact NZ-OG 3.37Å
276	L	91.9	Very high	92	Very high	19 Å²	19	68.9 Å²	68.9	10%	0.099	32%	0.317	C	S	.	.			trans	-77.8	97.4	167.2	-53.5	-178.5	0	0	0	108.4	V208 R263 K265 Y278	V208-L276 HydrophobicContact CG2-CB 4.37Å; V208-L276 HydrophobicContact CG2-CD1 3.98Å; R263-L276 PolarHBondContact NH1-O 3.42Å; R263-L276 VanDerWaalsContact NH1-O 3.15Å; R263-L276 WeakPolarHBondContact O-CB 3.31Å; R263-L276 WeakPolarHBondContact O-CG 3.31Å; R263-L276 PolarHBondContact O-N 2.94Å; K265-L276 HydrophobicContact CB-CD1 4.06Å; K265-L276 HydrophobicContact CB-CD2 4.24Å; K265-L276 HydrophobicContact CB-CG 4.16Å; K265-L276 HydrophobicContact CD-CD1 4.37Å; L276-Y278 HydrophobicContact CB-CD2 3.9Å; L276-Y278 HydrophobicContact CB-CE2 3.95Å; L276-Y278 HydrophobicContact CB-CG 4.2Å; L276-Y278 HydrophobicContact CD1-CD2 4.29Å; L276-Y278 HydrophobicContact CD1-CE2 3.84Å; L276-Y278 HydrophobicContact CD2-CE1 4.47Å; L276-Y278 HydrophobicContact CD2-CE2 4Å; L276-Y278 HydrophobicContact CG-CE2 4.14Å; L276-Y278 PolarHBondContact O-N 3.46Å
277	S	92.7	Very high	92.1	Very high	21 Å²	21	70.9 Å²	70.9	15%	0.147	32%	0.324	C	S	.	.			trans	-79.5	23.1	178.6	-57.6	0	0	0	0	112.7	K275 L352 S360	K275-S277 PolarHBondContact O-N 3.08Å; S277-L352 WeakPolarHBondContact O-CB 3.33Å; S277-L352 PolarHBondContact O-N 3.02Å; S277-S360 WeakPolarHBondContact CB-OG 3.21Å; S277-S360 PolarHBondContact OG-OG 3.49Å
278	Y	94.4	Very high	92.3	Very high	56 Å²	56	68.9 Å²	68.9	22%	0.22	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-59.7	146.4	-174.3	-64.2	-19.8	0	0	0	112.7	V208 Q210 R263 L276 V280	V208-Y278 HydrophobicContact CG2-CD2 4.3Å; Q210-Y278 HydrophobicContact CB-CD1 4.06Å; Q210-Y278 HydrophobicContact CB-CE1 4.41Å; Q210-Y278 HydrophobicContact CB-CG 4.17Å; Q210-Y278 VanDerWaalsContact OE1-CB 3.24Å; R263-Y278 PolarHBondContact NH1-O 2.64Å; R263-Y278 PolarHBondContact NH2-O 2.89Å; L276-Y278 HydrophobicContact CB-CD2 3.9Å; L276-Y278 HydrophobicContact CB-CE2 3.95Å; L276-Y278 HydrophobicContact CB-CG 4.2Å; L276-Y278 HydrophobicContact CD1-CD2 4.29Å; L276-Y278 HydrophobicContact CD1-CE2 3.84Å; L276-Y278 HydrophobicContact CD2-CE1 4.47Å; L276-Y278 HydrophobicContact CD2-CE2 4Å; L276-Y278 HydrophobicContact CG-CE2 4.14Å; L276-Y278 PolarHBondContact O-N 3.46Å; Y278-V280 PolarHBondContact O-N 3.01Å
279	R	95.9	Very high	91.7	Very high	72 Å²	72	66.4 Å²	66.4	27%	0.272	30%	0.301	S	S	.	.			trans	-73.7	113.3	171.9	-172	178.3	175.7	-72.3	-5.7	110.1	N211 T212 V281 Y350 L352	N211-R279 CarbonylContact C-O 3.54Å; N211-R279 VanDerWaalsContact CA-O 3.23Å; N211-R279 WeakPolarHBondContact CA-O 3.3Å; N211-R279 PolarHBondContact N-O 2.84Å; N211-R279 VanDerWaalsContact N-O 3.13Å; T212-R279 PolarHBondContact N-O 3.12Å; R279-V281 VanDerWaalsContact CZ-CG2 3.43Å; R279-V281 VanDerWaalsContact NH2-CG2 3.33Å; R279-Y350 CarbonylContact C-O 3.57Å; R279-Y350 WeakPolarHBondContact CA-O 3.23Å; R279-L352 PolarHBondContact N-O 3.27Å
280	V	97.3	Very high	90.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	110	177.1	-174.4	0	0	0	0	108.5	V208 T212 I214 L261 Y278 F282 Y350	V208-V280 HydrophobicContact CB-CG2 3.93Å; V208-V280 HydrophobicContact CG1-CG2 3.88Å; T212-V280 HydrophobicContact CG2-CB 4.38Å; T212-V280 HydrophobicContact CG2-CG1 4Å; T212-V280 HydrophobicContact CG2-CG2 4.01Å; T212-V280 WeakPolarHBondContact O-CA 3.46Å; I214-V280 HydrophobicContact CD1-CG1 3.68Å; I214-V280 HydrophobicContact CG1-CG1 4.32Å; L261-V280 HydrophobicContact CD1-CB 4.34Å; L261-V280 HydrophobicContact CD1-CG1 4.11Å; Y278-V280 PolarHBondContact O-N 3.01Å; V280-F282 WeakPolarHBondContact O-CD1 3.48Å; V280-Y350 PolarHBondContact N-O 2.85Å
281	V	98	Very high	89.9	Confident	36 Å²	36	57.2 Å²	57.2	22%	0.218	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	127.5	179.2	-178.5	0	0	0	0	110.2	T212 S213 I214 R279 Y350	T212-V281 PolarHBondContact O-N 3.28Å; S213-V281 CarbonylContact C-O 3.43Å; S213-V281 WeakPolarHBondContact CA-O 3.17Å; S213-V281 WeakPolarHBondContact CB-O 3.48Å; I214-V281 PolarHBondContact N-O 2.93Å; R279-V281 VanDerWaalsContact CZ-CG2 3.43Å; R279-V281 VanDerWaalsContact NH2-CG2 3.33Å; V281-Y350 HydrophobicContact CB-CD2 4.45Å; V281-Y350 HydrophobicContact CB-CE2 4.39Å; V281-Y350 HydrophobicContact CG1-CD2 4.37Å; V281-Y350 HydrophobicContact CG1-CE1 4.45Å; V281-Y350 HydrophobicContact CG1-CE2 3.83Å; V281-Y350 HydrophobicContact CG2-CD2 4.06Å; V281-Y350 HydrophobicContact CG2-CE2 4.28Å
282	F	97.7	Very high	88.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.233	C	C	.	.			trans	-116.9	118.6	169.3	44.2	-93.6	0	0	0	110	I214 V280 L304 V307 I346 F349 Y350 L366	I214-F282 HydrophobicContact CG1-CB 3.59Å; V280-F282 WeakPolarHBondContact O-CD1 3.48Å; F282-L304 HydrophobicContact CD2-CD2 3.93Å; F282-L304 HydrophobicContact CE2-CD2 4.29Å; F282-V307 HydrophobicContact CD2-CG2 4.44Å; F282-V307 HydrophobicContact CE2-CG1 4.49Å; F282-V307 HydrophobicContact CE2-CG2 3.91Å; F282-V307 HydrophobicContact CZ-CG1 4.26Å; F282-V307 HydrophobicContact CZ-CG2 4.49Å; F282-I346 HydrophobicContact CD2-CG2 4.39Å; F282-I346 HydrophobicContact CE2-CG2 3.52Å; F282-I346 HydrophobicContact CZ-CG2 4.26Å; F282-F349 HydrophobicContact CZ-CB 4.18Å; F282-Y350 AromaticContact CD1-CD1 3.73Å; F282-Y350 HydrophobicContact CD1-CD1 3.73Å; F282-Y350 AromaticContact CD1-CE1 3.96Å; F282-Y350 HydrophobicContact CD1-CE1 3.96Å; F282-Y350 HydrophobicContact CD2-CD1 4.3Å; F282-Y350 AromaticContact CD2-CE1 3.77Å; F282-Y350 HydrophobicContact CD2-CE1 3.77Å; F282-Y350 AromaticContact CE1-CD1 3.51Å; F282-Y350 HydrophobicContact CE1-CD1 3.51Å; F282-Y350 AromaticContact CE1-CE1 3.99Å; F282-Y350 HydrophobicContact CE1-CE1 3.99Å; F282-Y350 HydrophobicContact CE2-CD1 4.1Å; F282-Y350 AromaticContact CE2-CE1 3.78Å; F282-Y350 HydrophobicContact CE2-CE1 3.78Å; F282-Y350 HydrophobicContact CG-CD1 4.12Å; F282-Y350 AromaticContact CG-CE1 3.85Å; F282-Y350 HydrophobicContact CG-CE1 3.85Å; F282-Y350 AromaticContact CZ-CD1 3.7Å; F282-Y350 HydrophobicContact CZ-CD1 3.7Å; F282-Y350 AromaticContact CZ-CE1 3.88Å; F282-Y350 HydrophobicContact CZ-CE1 3.88Å; F282-Y350 WeakPolarHBondContact O-CE1 3.39Å; F282-Y350 PolarHBondContact O-OH 2.92Å; F282-Y350 VanDerWaalsContact O-OH 3.11Å; F282-L366 HydrophobicContact CB-CD1 3.55Å; F282-L366 HydrophobicContact CB-CD2 4.35Å; F282-L366 HydrophobicContact CD1-CD1 4.14Å; F282-L366 HydrophobicContact CD1-CD2 3.89Å; F282-L366 HydrophobicContact CD2-CD2 4.04Å; F282-L366 HydrophobicContact CE1-CD2 4.11Å; F282-L366 HydrophobicContact CE2-CD2 4.26Å; F282-L366 HydrophobicContact CG-CD1 3.93Å; F282-L366 HydrophobicContact CG-CD2 3.85Å; F282-L366 HydrophobicContact CZ-CD2 4.3Å
283	P	97.2	Very high	87.4	Confident	34 Å²	34	48.6 Å²	48.6	22%	0.221	25%	0.249	C	C	.	.			trans	-74.5	153.2	-177.6	33.3	-37.1	0	0	0	111.2	E285 L286 Y368	P283-E285 VanDerWaalsContact CB-O 3.29Å; P283-E285 WeakPolarHBondContact CB-O 3.47Å; P283-E285 VanDerWaalsContact CG-O 3.3Å; P283-E285 WeakPolarHBondContact CG-O 3.27Å; P283-E285 PolarHBondContact O-N 3.46Å; P283-L286 HydrophobicContact CG-CB 4.36Å; P283-L286 HydrophobicContact CG-CD1 3.97Å; P283-Y368 WeakPolarHBondContact CD-OH 3.32Å; P283-Y368 WeakPolarHBondContact O-CE1 3.39Å; P283-Y368 PolarHBondContact O-OH 2.88Å
284	L	97.2	Very high	86.5	Confident	66 Å²	66	46.9 Å²	46.9	35%	0.346	25%	0.249	S	C	.	.	S	Bend	trans	-67.1	-26.9	173.9	-58.7	-176.5	0	0	0	112.3	L304 W330 A343 I346	L284-L304 HydrophobicContact CD2-CD2 3.94Å; L284-L304 PolarHBondContact O-N 2.85Å; L284-W330 HydrophobicContact CD2-CH2 4.46Å; L284-W330 HydrophobicContact CD2-CZ2 3.88Å; L284-A343 HydrophobicContact CD1-CB 4.37Å; L284-I346 HydrophobicContact CD2-CD1 3.97Å
285	E	96.8	Very high	85.2	Confident	120 Å²	120	47.2 Å²	47.2	56%	0.561	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.8	174.7	-54.2	-171.7	165.2	0	0	109.2	P283 Y302 R371	P283-E285 VanDerWaalsContact CB-O 3.29Å; P283-E285 WeakPolarHBondContact CB-O 3.47Å; P283-E285 VanDerWaalsContact CG-O 3.3Å; P283-E285 WeakPolarHBondContact CG-O 3.27Å; P283-E285 PolarHBondContact O-N 3.46Å; E285-Y302 CarbonylContact C-O 3.44Å; E285-Y302 WeakPolarHBondContact CA-O 3.41Å; E285-R371 IonicContact OE1-CZ 3.08Å; E285-R371 IonicContact OE1-NH2 2.68Å; E285-R371 PolarHBondContact OE1-NH2 3.27Å; E285-R371 IonicContact OE2-NH2 2.66Å; E285-R371 PolarHBondContact OE2-NH2 3.19Å
286	L	94.6	Very high	83.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.9	-177.3	-176.5	67.6	0	0	0	110.1	I214 L218 L259 P283 L288 Y302 Y368	I214-L286 HydrophobicContact CG2-CD1 4.42Å; I214-L286 HydrophobicContact CG2-CD2 4.2Å; L218-L286 HydrophobicContact CD1-CD2 3.88Å; L259-L286 HydrophobicContact CD1-CD2 4.28Å; P283-L286 HydrophobicContact CG-CB 4.36Å; P283-L286 HydrophobicContact CG-CD1 3.97Å; L286-L288 HydrophobicContact CD1-CD2 4.3Å; L286-L288 HydrophobicContact CD2-CD1 4.05Å; L286-L288 HydrophobicContact CD2-CD2 4.09Å; L286-L288 HydrophobicContact CD2-CG 4.09Å; L286-L288 HydrophobicContact CG-CD1 4.5Å; L286-L288 HydrophobicContact CG-CD2 4.02Å; L286-L288 HydrophobicContact CG-CG 4.02Å; L286-Y302 PolarHBondContact N-O 2.86Å; L286-Y302 PolarHBondContact O-N 3.38Å; L286-Y368 HydrophobicContact CB-CD1 3.74Å; L286-Y368 HydrophobicContact CB-CE1 3.48Å; L286-Y368 VanDerWaalsContact CB-CE1 3.48Å; L286-Y368 HydrophobicContact CD2-CD1 4.17Å; L286-Y368 HydrophobicContact CD2-CD2 4.14Å; L286-Y368 HydrophobicContact CD2-CE1 4.1Å; L286-Y368 HydrophobicContact CD2-CE2 4.06Å; L286-Y368 HydrophobicContact CD2-CG 4.18Å; L286-Y368 HydrophobicContact CG-CE1 4.4Å
287	R	91	Very high	82.5	Confident	134 Å²	134	56 Å²	56	51%	0.506	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.9	172	-172.6	175.1	-178.2	179.4	2	109.6	F289 E299 L301	R287-F289 HydrophobicContact CG-CE2 4.47Å; R287-F289 HydrophobicContact CG-CZ 4.21Å; R287-E299 IonicContact CZ-OE2 3.03Å; R287-E299 IonicContact NE-OE2 3.38Å; R287-E299 PolarHBondContact NE-OE2 3.24Å; R287-E299 IonicContact NH2-OE1 3.47Å; R287-E299 IonicContact NH2-OE2 2.78Å; R287-E299 PolarHBondContact NH2-OE2 3.31Å; R287-L301 HydrophobicContact CB-CD2 3.75Å; R287-L301 HydrophobicContact CG-CD2 3.82Å
288	L	86.9	Confident	81.4	Confident	20 Å²	20	59.2 Å²	59.2	11%	0.105	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.7	175.1	-63.2	178.2	0	0	0	110.6	L218 L253 L257 L286 E299 R300 Y302	L218-L288 HydrophobicContact CB-CD2 4.31Å; L218-L288 HydrophobicContact CD1-CD1 4.23Å; L218-L288 HydrophobicContact CD1-CD2 3.51Å; L218-L288 HydrophobicContact CD1-CG 4.49Å; L253-L288 HydrophobicContact CD1-CB 4.02Å; L253-L288 HydrophobicContact CD2-CB 4.43Å; L253-L288 HydrophobicContact CD2-CD1 3.92Å; L257-L288 HydrophobicContact CD2-CD1 3.29Å; L286-L288 HydrophobicContact CD1-CD2 4.3Å; L286-L288 HydrophobicContact CD2-CD1 4.05Å; L286-L288 HydrophobicContact CD2-CD2 4.09Å; L286-L288 HydrophobicContact CD2-CG 4.09Å; L286-L288 HydrophobicContact CG-CD1 4.5Å; L286-L288 HydrophobicContact CG-CD2 4.02Å; L286-L288 HydrophobicContact CG-CG 4.02Å; L288-E299 CarbonylContact O-C 3.5Å; L288-E299 WeakPolarHBondContact O-CA 3.4Å; L288-R300 PolarHBondContact N-O 2.92Å; L288-R300 PolarHBondContact O-N 3.44Å; L288-Y302 HydrophobicContact CD1-CD2 4.19Å; L288-Y302 HydrophobicContact CD1-CE2 4.1Å; L288-Y302 HydrophobicContact CG-CD2 4.49Å
289	F	77.8	Confident	80.6	Confident	100 Å²	100	60 Å²	60	44%	0.439	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	135	174.1	-61.4	-79.2	0	0	0	108.3	R287 T291 P298 E299	R287-F289 HydrophobicContact CG-CE2 4.47Å; R287-F289 HydrophobicContact CG-CZ 4.21Å; F289-T291 PolarHBondContact O-N 2.89Å; F289-P298 WeakPolarHBondContact CA-O 3.49Å; F289-E299 HydrophobicContact CD1-CB 4.05Å; F289-E299 HydrophobicContact CE1-CB 4.25Å
290	N	70.6	Confident	80.3	Confident	27 Å²	27	58.7 Å²	58.7	14%	0.144	33%	0.329	C	S	.	.			trans	-71	120.5	167.6	-161.9	-24.1	0	0	0	107.4	V250 K251 S292 A295 N297 P298	V250-N290 PolarHBondContact O-OD1 2.86Å; K251-N290 PolarHBondContact O-ND2 2.83Å; K251-N290 PolarHBondContact O-OD1 2.85Å; N290-S292 PolarHBondContact OD1-N 2.76Å; N290-S292 PolarHBondContact OD1-OG 3.37Å; N290-A295 HydrophobicContact CB-CB 3.46Å; N290-A295 VanDerWaalsContact CB-CB 3.46Å; N290-A295 WeakPolarHBondContact ND2-CB 3.41Å; N290-N297 WeakPolarHBondContact CB-O 3.28Å; N290-P298 PolarHBondContact N-O 3.19Å
291	T	66.8	Low	80.2	Confident	46 Å²	46	61.8 Å²	61.8	28%	0.282	35%	0.345	S	S	.	.			trans	-88.5	-10.1	-172.5	59.7	0	0	0	0	112.1	R249 V250 F289	R249-T291 WeakPolarHBondContact CA-OG1 3.24Å; R249-T291 WeakPolarHBondContact CB-OG1 3.43Å; R249-T291 PolarHBondContact NE-O 2.68Å; R249-T291 PolarHBondContact NH2-O 3.45Å; V250-T291 PolarHBondContact N-OG1 3.01Å; V250-T291 PolarHBondContact O-N 2.86Å; V250-T291 PolarHBondContact O-OG1 2.86Å; F289-T291 PolarHBondContact O-N 2.89Å
292	S	64.4	Low	80.1	Confident	11 Å²	11	60.1 Å²	60.1	8%	0.077	34%	0.335	C	S	.	.	S	Bend	trans	-84	140.5	177	80.6	0	0	0	0	111.3	V250 N290 D294 A295	V250-S292 PolarHBondContact O-N 2.79Å; N290-S292 PolarHBondContact OD1-N 2.76Å; N290-S292 PolarHBondContact OD1-OG 3.37Å; S292-D294 WeakPolarHBondContact CB-OD1 3.41Å; S292-D294 PolarHBondContact O-N 2.83Å; S292-D294 PolarHBondContact OG-OD1 3.06Å; S292-A295 VanDerWaalsContact O-CB 3.29Å; S292-A295 WeakPolarHBondContact O-CB 3.35Å; S292-A295 PolarHBondContact O-N 2.98Å
293	G	60	Low	80.1	Confident	82 Å²	82	61.7 Å²	61.7	85%	0.845	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.3	-175.6	0	0	0	0	0	114.4
294	D	66.2	Low	80.2	Confident	103 Å²	103	60.1 Å²	60.1	55%	0.551	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	7.9	178.9	60.4	-25.1	0	0	0	113	K251 S292 T296	K251-D294 WeakPolarHBondContact CE-OD2 3.26Å; K251-D294 IonicContact NZ-OD2 3.83Å; S292-D294 WeakPolarHBondContact CB-OD1 3.41Å; S292-D294 PolarHBondContact O-N 2.83Å; S292-D294 PolarHBondContact OG-OD1 3.06Å; D294-T296 PolarHBondContact O-N 3Å
295	A	61.1	Low	80.3	Confident	28 Å²	28	57.7 Å²	57.7	23%	0.231	32%	0.321	C	S	.	.			trans	-63.6	124.9	-179.5	0	0	0	0	0	113	N290 S292 N297	N290-A295 HydrophobicContact CB-CB 3.46Å; N290-A295 VanDerWaalsContact CB-CB 3.46Å; N290-A295 WeakPolarHBondContact ND2-CB 3.41Å; S292-A295 VanDerWaalsContact O-CB 3.29Å; S292-A295 WeakPolarHBondContact O-CB 3.35Å; S292-A295 PolarHBondContact O-N 2.98Å; A295-N297 VanDerWaalsContact C-N 3.31Å; A295-N297 PolarHBondContact O-N 2.99Å
296	T	60.3	Low	80.3	Confident	152 Å²	152	52 Å²	52	93%	0.933	29%	0.294	S	S	*	.	S	Bend	trans	-70.3	-25.9	175.8	48.4	0	0	0	0	113.5	D294	D294-T296 PolarHBondContact O-N 3Å
297	N	65.3	Low	80.6	Confident	68 Å²	68	52 Å²	52	36%	0.364	29%	0.294	S	S	.	.	S	Bend	trans	-126.4	113.9	172.5	-165.7	-5.6	0	0	0	109	N290 A295 E299	N290-N297 WeakPolarHBondContact CB-O 3.28Å; A295-N297 VanDerWaalsContact C-N 3.31Å; A295-N297 PolarHBondContact O-N 2.99Å; N297-E299 PolarHBondContact ND2-O 2.7Å; N297-E299 PolarHBondContact O-N 2.96Å; N297-E299 PolarHBondContact OD1-O 3.36Å
298	P	69.4	Low	80.9	Confident	88 Å²	88	45.6 Å²	45.6	57%	0.571	27%	0.27	S	S	*	.	S	Bend	trans	-67.9	-20.7	-175	27.2	-35.5	0	0	0	112.8	F289 N290	F289-P298 WeakPolarHBondContact CA-O 3.49Å; N290-P298 PolarHBondContact N-O 3.19Å
299	E	79.2	Confident	81.5	Confident	73 Å²	73	44.6 Å²	44.6	34%	0.341	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	153	-179.4	64	-178.9	177.6	0	0	112.9	R287 L288 F289 N297	R287-E299 IonicContact CZ-OE2 3.03Å; R287-E299 IonicContact NE-OE2 3.38Å; R287-E299 PolarHBondContact NE-OE2 3.24Å; R287-E299 IonicContact NH2-OE1 3.47Å; R287-E299 IonicContact NH2-OE2 2.78Å; R287-E299 PolarHBondContact NH2-OE2 3.31Å; L288-E299 CarbonylContact O-C 3.5Å; L288-E299 WeakPolarHBondContact O-CA 3.4Å; F289-E299 HydrophobicContact CD1-CB 4.05Å; F289-E299 HydrophobicContact CE1-CB 4.25Å; N297-E299 PolarHBondContact ND2-O 2.7Å; N297-E299 PolarHBondContact O-N 2.96Å; N297-E299 PolarHBondContact OD1-O 3.36Å
300	R	88.9	Confident	82.4	Confident	44 Å²	44	39.9 Å²	39.9	17%	0.166	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.6	173.8	-159.4	165.9	-170.8	-169.1	5.5	109.8	L253 P254 L288 Y302 S370 D372	L253-R300 HydrophobicContact CD1-CB 4.04Å; L253-R300 PolarHBondContact O-NH1 2.8Å; P254-R300 PolarHBondContact O-NH1 3.07Å; L288-R300 PolarHBondContact N-O 2.92Å; L288-R300 PolarHBondContact O-N 3.44Å; R300-Y302 HydrophobicContact CB-CD2 4.44Å; R300-Y302 HydrophobicContact CB-CE2 3.83Å; R300-Y302 WeakPolarHBondContact CD-OH 3.28Å; R300-Y302 HydrophobicContact CG-CD2 4.4Å; R300-Y302 HydrophobicContact CG-CE2 3.8Å; R300-Y302 PolarHBondContact NH1-OH 3Å; R300-S370 VanDerWaalsContact CZ-CB 3.48Å; R300-S370 PolarHBondContact NE-OG 3.08Å; R300-S370 PolarHBondContact NH2-OG 3.18Å; R300-D372 PolarHBondContact NE-O 3.4Å; R300-D372 PolarHBondContact NH2-O 3.15Å
301	L	93.9	Very high	83.6	Confident	66 Å²	66	39.3 Å²	39.3	35%	0.346	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.7	172.4	-67.9	173.3	0	0	0	109.2	R287 S370 R371	R287-L301 HydrophobicContact CB-CD2 3.75Å; R287-L301 HydrophobicContact CG-CD2 3.82Å; L301-S370 WeakPolarHBondContact O-CA 3.42Å; L301-R371 HydrophobicContact CB-CG 4.33Å; L301-R371 PolarHBondContact O-N 3.49Å
302	Y	96.9	Very high	84.7	Confident	1 Å²	1	37.8 Å²	37.8	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.9	175.8	-73.2	-96.3	0	0	0	110.8	L253 P254 L257 E285 L286 L288 R300 Y368 Q369 S370	L253-Y302 WeakPolarHBondContact CB-OH 3.42Å; L253-Y302 HydrophobicContact CD1-CE2 4.45Å; P254-Y302 WeakPolarHBondContact O-CE1 3.2Å; P254-Y302 PolarHBondContact O-OH 3.33Å; L257-Y302 HydrophobicContact CB-CD1 4.29Å; L257-Y302 HydrophobicContact CB-CE1 3.89Å; E285-Y302 CarbonylContact C-O 3.44Å; E285-Y302 WeakPolarHBondContact CA-O 3.41Å; L286-Y302 PolarHBondContact N-O 2.86Å; L286-Y302 PolarHBondContact O-N 3.38Å; L288-Y302 HydrophobicContact CD1-CD2 4.19Å; L288-Y302 HydrophobicContact CD1-CE2 4.1Å; L288-Y302 HydrophobicContact CG-CD2 4.49Å; R300-Y302 HydrophobicContact CB-CD2 4.44Å; R300-Y302 HydrophobicContact CB-CE2 3.83Å; R300-Y302 WeakPolarHBondContact CD-OH 3.28Å; R300-Y302 HydrophobicContact CG-CD2 4.4Å; R300-Y302 HydrophobicContact CG-CE2 3.8Å; R300-Y302 PolarHBondContact NH1-OH 3Å; Y302-Y368 WeakPolarHBondContact CD1-O 3.38Å; Y302-Q369 CarbonylContact C-O 3.54Å; Y302-Q369 VanDerWaalsContact CA-O 3.26Å; Y302-Q369 WeakPolarHBondContact CA-O 3.49Å; Y302-S370 VanDerWaalsContact CD1-N 3.29Å
303	D	98.1	Very high	85.5	Confident	33 Å²	33	40.3 Å²	40.3	18%	0.176	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.2	169.8	-64	-57.9	0	0	0	109.4	V305 Y368 Q369 R371	D303-V305 PolarHBondContact O-N 3.49Å; D303-Y368 CarbonylContact O-C 3.54Å; D303-Y368 WeakPolarHBondContact O-CA 3.23Å; D303-Q369 PolarHBondContact N-O 3.14Å; D303-Q369 PolarHBondContact O-N 3.35Å; D303-R371 IonicContact OD1-CZ 3.32Å; D303-R371 IonicContact OD1-NE 2.8Å; D303-R371 PolarHBondContact OD1-NE 3.43Å; D303-R371 IonicContact OD1-NH2 2.95Å; D303-R371 PolarHBondContact OD1-NH2 3.08Å; D303-R371 VanDerWaalsContact OD2-CG 3.25Å; D303-R371 WeakPolarHBondContact OD2-CG 3.23Å; D303-R371 IonicContact OD2-CZ 3.36Å; D303-R371 IonicContact OD2-NE 3.98Å; D303-R371 PolarHBondContact OD2-NE 3.07Å; D303-R371 IonicContact OD2-NH2 3.98Å
304	L	98.6	Very high	86.4	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	124.5	171.9	-173.6	69.8	0	0	0	108.7	F282 L284 V307 W330 L366 Y368	F282-L304 HydrophobicContact CD2-CD2 3.93Å; F282-L304 HydrophobicContact CE2-CD2 4.29Å; L284-L304 HydrophobicContact CD2-CD2 3.94Å; L284-L304 PolarHBondContact O-N 2.85Å; L304-V307 HydrophobicContact CD1-CG2 3.96Å; L304-V307 HydrophobicContact CD2-CG2 3.76Å; L304-V307 HydrophobicContact CG-CG2 4.15Å; L304-W330 HydrophobicContact CB-CH2 4.17Å; L304-W330 HydrophobicContact CD2-CH2 3.94Å; L304-W330 HydrophobicContact CG-CH2 3.9Å; L304-W330 VanDerWaalsContact O-CH2 3.3Å; L304-W330 WeakPolarHBondContact O-CH2 3.46Å; L304-L366 HydrophobicContact CD1-CB 4.16Å; L304-Y368 HydrophobicContact CB-CD1 4.15Å; L304-Y368 HydrophobicContact CB-CE1 3.8Å; L304-Y368 HydrophobicContact CD1-CD1 4.35Å; L304-Y368 HydrophobicContact CD1-CD2 4.17Å; L304-Y368 HydrophobicContact CD1-CE1 4.01Å; L304-Y368 HydrophobicContact CD1-CE2 3.81Å; L304-Y368 HydrophobicContact CD1-CG 4.43Å; L304-Y368 HydrophobicContact CG-CE1 4.49Å
305	V	98.6	Very high	86.7	Confident	15 Å²	15	33.1 Å²	33.1	9%	0.091	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-27	-179.6	-64.3	0	0	0	0	113	D303 V324 K325 F367 Q369	D303-V305 PolarHBondContact O-N 3.49Å; V305-V324 WeakPolarHBondContact O-CA 3.37Å; V305-K325 PolarHBondContact O-N 2.73Å; V305-F367 HydrophobicContact CG2-CB 3.95Å; V305-F367 VanDerWaalsContact CG2-O 3.31Å; V305-F367 WeakPolarHBondContact CG2-O 3.43Å; V305-F367 PolarHBondContact N-O 3.37Å; V305-Q369 HydrophobicContact CG1-CB 3.65Å; V305-Q369 HydrophobicContact CG2-CB 4.13Å
306	A	98.8	Very high	87.3	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.1	174.5	0	0	0	0	0	112.7	A56 I323 V324 F367	A56-A306 HydrophobicContact CB-CB 3.73Å; A306-I323 CarbonylContact C-O 3.58Å; A306-I323 WeakPolarHBondContact CA-O 3.44Å; A306-V324 HydrophobicContact CB-CG1 3.95Å; A306-F367 HydrophobicContact CB-CB 4.06Å; A306-F367 HydrophobicContact CB-CD2 4.1Å; A306-F367 HydrophobicContact CB-CG 4.35Å; A306-F367 PolarHBondContact N-O 3.45Å; A306-F367 PolarHBondContact O-N 3.26Å
307	V	98.9	Very high	88.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	122.4	172.6	-180	0	0	0	0	108.1	F282 L304 V309 A322 I323 I365 L366	F282-V307 HydrophobicContact CD2-CG2 4.44Å; F282-V307 HydrophobicContact CE2-CG1 4.49Å; F282-V307 HydrophobicContact CE2-CG2 3.91Å; F282-V307 HydrophobicContact CZ-CG1 4.26Å; F282-V307 HydrophobicContact CZ-CG2 4.49Å; L304-V307 HydrophobicContact CD1-CG2 3.96Å; L304-V307 HydrophobicContact CD2-CG2 3.76Å; L304-V307 HydrophobicContact CG-CG2 4.15Å; V307-V309 HydrophobicContact CG1-CG2 3.71Å; V307-A322 CarbonylContact O-C 3.57Å; V307-A322 WeakPolarHBondContact O-CA 3.35Å; V307-I323 HydrophobicContact CB-CB 4.31Å; V307-I323 PolarHBondContact N-O 2.61Å; V307-I323 PolarHBondContact O-N 3.25Å; V307-I365 CarbonylContact C-O 3.42Å; V307-I365 WeakPolarHBondContact CA-O 3.36Å; V307-L366 HydrophobicContact CB-CD2 4.34Å; V307-L366 HydrophobicContact CG1-CD2 3.78Å; V307-L366 HydrophobicContact CG2-CD2 3.88Å
308	V	98.8	Very high	89.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124.1	162.5	176.6	0	0	0	0	107	V53 A56 A125 Y320 Y364 I365 F367	V53-V308 HydrophobicContact CG2-CG2 4.21Å; A56-V308 HydrophobicContact CB-CG2 3.91Å; A125-V308 HydrophobicContact CB-CG1 4.13Å; V308-Y320 HydrophobicContact CG1-CD1 3.87Å; V308-Y364 WeakPolarHBondContact O-CA 3.39Å; V308-Y364 WeakPolarHBondContact O-CB 3.39Å; V308-Y364 PolarHBondContact O-N 2.95Å; V308-I365 HydrophobicContact CB-CB 4.01Å; V308-I365 HydrophobicContact CB-CD1 4.46Å; V308-I365 HydrophobicContact CB-CG1 4.35Å; V308-I365 HydrophobicContact CG2-CB 4.32Å; V308-I365 PolarHBondContact N-O 2.96Å; V308-I365 PolarHBondContact O-N 2.84Å; V308-I365 VanDerWaalsContact O-N 3.16Å; V308-F367 HydrophobicContact CG2-CE2 4.13Å
309	V	98.6	Very high	90.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.4	-179.2	176.7	0	0	0	0	108.7	V307 Y320 I321 I323 F349 E361	V307-V309 HydrophobicContact CG1-CG2 3.71Å; V309-Y320 VanDerWaalsContact O-CA 3.32Å; V309-Y320 WeakPolarHBondContact O-CA 3.35Å; V309-I321 HydrophobicContact CB-CD1 4.25Å; V309-I321 HydrophobicContact CB-CG1 3.63Å; V309-I321 HydrophobicContact CG1-CD1 4.32Å; V309-I321 HydrophobicContact CG1-CG1 4.11Å; V309-I321 HydrophobicContact CG2-CG1 4.29Å; V309-I321 PolarHBondContact N-O 3.31Å; V309-I321 PolarHBondContact O-N 3.25Å; V309-I321 VanDerWaalsContact O-N 3.11Å; V309-I323 HydrophobicContact CG2-CD1 3.73Å; V309-I323 HydrophobicContact CG2-CG1 4.35Å; V309-F349 HydrophobicContact CB-CD1 4.36Å; V309-F349 HydrophobicContact CG1-CD1 3.54Å; V309-F349 HydrophobicContact CG1-CE1 4.11Å; V309-F349 HydrophobicContact CG1-CG 4.3Å; V309-F349 HydrophobicContact CG2-CB 4.15Å; V309-F349 HydrophobicContact CG2-CD1 3.91Å; V309-F349 HydrophobicContact CG2-CG 3.95Å; V309-E361 HydrophobicContact CG1-CB 4.12Å
310	H	97.2	Very high	91.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.5	170.7	178.1	-99	0	0	0	110.6	F264 K275 G314 Y320 S362 Y364	F264-H310 AromaticContact CZ-CE1 3.89Å; F264-H310 AromaticContact CZ-ND1 3.85Å; K275-H310 WeakPolarHBondContact CE-ND1 3.07Å; K275-H310 PolarHBondContact NZ-ND1 3.13Å; K275-H310 PolarHBondContact NZ-O 2.85Å; H310-G314 PolarHBondContact CE1-O 3.41Å; H310-G314 VanDerWaalsContact CE1-O 3.26Å; H310-G314 PolarHBondContact NE2-O 3.39Å; H310-Y320 HydrophobicContact CB-CD1 3.99Å; H310-Y320 HydrophobicContact CB-CE1 3.68Å; H310-Y320 AromaticContact CD2-CE1 3.58Å; H310-Y320 AromaticContact CD2-CE2 3.72Å; H310-Y320 AromaticContact CD2-CZ 3.4Å; H310-Y320 AromaticContact CG-CE1 3.97Å; H310-S362 PolarHBondContact N-O 3.45Å; H310-S362 PolarHBondContact O-N 3.46Å; H310-S362 VanDerWaalsContact O-N 3.13Å; H310-Y364 HydrophobicContact CB-CG 4.35Å
311	C	95	Very high	92.1	Very high	16 Å²	16	31.5 Å²	31.5	11%	0.108	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121	178.7	-52.1	0	0	0	0	109.6	G318 H319 E361	C311-G318 CarbonylContact O-C 3.58Å; C311-G318 WeakPolarHBondContact O-CA 3.37Å; C311-H319 HydrophobicContact CB-CB 4.32Å; C311-H319 PolarHBondContact N-O 3.01Å; C311-H319 PolarHBondContact O-N 2.88Å; C311-E361 HydrophobicContact CB-CG 3.89Å; C311-E361 VanDerWaalsContact SG-CG 3.58Å
312	G	90.8	Very high	92.4	Very high	14 Å²	14	28.4 Å²	28.4	14%	0.144	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.9	178.3	179.9	0	0	0	0	0	113.6	K275 S360	K275-G312 WeakPolarHBondContact CD-O 3.16Å; K275-G312 WeakPolarHBondContact CE-O 3.2Å; K275-G312 PolarHBondContact NZ-O 3.38Å; G312-S360 PolarHBondContact N-O 3.45Å
313	S	81	Confident	92.5	Very high	64 Å²	64	28.3 Å²	28.3	45%	0.448	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-11.1	-167.4	64.9	0	0	0	0	115.1	K275 K358	K275-S313 WeakPolarHBondContact CB-O 3.41Å; S313-K358 WeakPolarHBondContact CB-O 3.39Å
314	G	78.6	Confident	92.5	Very high	13 Å²	13	26.8 Å²	26.8	13%	0.134	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	165.7	-176.9	0	0	0	0	0	112.8	H310 R317	H310-G314 PolarHBondContact CE1-O 3.41Å; H310-G314 VanDerWaalsContact CE1-O 3.26Å; H310-G314 PolarHBondContact NE2-O 3.39Å; G314-R317 CarbonylContact O-C 3.58Å; G314-R317 PolarHBondContact O-N 3.15Å
315	P	72.4	Confident	92.5	Very high	21 Å²	21	30.3 Å²	30.3	14%	0.136	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-38	-173.1	24.8	-33.4	0	0	0	113.4	F264 R317	F264-P315 HydrophobicContact CD1-CB 3.76Å; F264-P315 HydrophobicContact CD1-CG 4.21Å; F264-P315 HydrophobicContact CD2-CB 4.11Å; F264-P315 HydrophobicContact CE1-CB 3.81Å; F264-P315 HydrophobicContact CE2-CB 4.15Å; F264-P315 HydrophobicContact CG-CB 3.92Å; F264-P315 HydrophobicContact CZ-CB 4.02Å; P315-R317 VanDerWaalsContact C-N 3.31Å; P315-R317 PolarHBondContact O-N 3.35Å
316	N	74.4	Confident	92.4	Very high	129 Å²	129	29.7 Å²	29.7	69%	0.69	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	2.6	-175.6	-56.4	-4.5	0	0	0	112.6
317	R	82.2	Confident	92.1	Very high	212 Å²	212	33.3 Å²	33.3	80%	0.8	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-146.7	96.1	-177.2	-70.8	-170.2	-177.6	-142.2	0.7	109	G314 P315	G314-R317 CarbonylContact O-C 3.58Å; G314-R317 PolarHBondContact O-N 3.15Å; P315-R317 VanDerWaalsContact C-N 3.31Å; P315-R317 PolarHBondContact O-N 3.35Å
318	G	89.4	Confident	91.8	Very high	22 Å²	22	41 Å²	41	23%	0.227	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	-168.3	177.2	0	0	0	0	0	110.6	Q122 C311	Q122-G318 PolarHBondContact NE2-O 3.16Å; C311-G318 CarbonylContact O-C 3.58Å; C311-G318 WeakPolarHBondContact O-CA 3.37Å
319	H	96.1	Very high	91.7	Very high	48 Å²	48	41.7 Å²	41.7	22%	0.222	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.7	179.4	-178	54	0	0	0	108.4	C48 C311 D334 D335	C48-H319 WeakPolarHBondContact CB-ND1 3.35Å; C48-H319 PolarHBondContact SG-ND1 3.39Å; C48-H319 VanDerWaalsContact SG-ND1 3.41Å; C311-H319 HydrophobicContact CB-CB 4.32Å; C311-H319 PolarHBondContact N-O 3.01Å; C311-H319 PolarHBondContact O-N 2.88Å; H319-D334 IonicContact CD2-OD1 3.44Å; H319-D334 IonicContact CD2-OD2 3.31Å; H319-D334 IonicContact CE1-OD1 3.74Å; H319-D334 PolarHBondContact CE1-OD1 3.19Å; H319-D334 VanDerWaalsContact NE2-CG 3.33Å; H319-D334 IonicContact NE2-OD1 3.89Å; H319-D334 PolarHBondContact NE2-OD1 2.64Å; H319-D334 IonicContact NE2-OD2 2.92Å; H319-D334 PolarHBondContact NE2-OD2 2.98Å; H319-D335 IonicContact CE1-OD2 2.72Å; H319-D335 PolarHBondContact CE1-OD2 3.08Å
320	Y	98.3	Very high	91.7	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.8	-180	-71.5	-88.8	0	0	0	110.2	C48 S52 Q123 A125 V308 V309 H310 Y364	C48-Y320 PolarHBondContact SG-N 2.93Å; S52-Y320 WeakPolarHBondContact OG-CB 3.17Å; Q123-Y320 WeakPolarHBondContact O-CE2 3.23Å; A125-Y320 HydrophobicContact CB-CD1 3.79Å; A125-Y320 HydrophobicContact CB-CE1 3.47Å; A125-Y320 VanDerWaalsContact CB-CE1 3.47Å; A125-Y320 HydrophobicContact CB-CE2 4.35Å; A125-Y320 HydrophobicContact CB-CG 4.35Å; A125-Y320 PolarHBondContact N-OH 2.98Å; V308-Y320 HydrophobicContact CG1-CD1 3.87Å; V309-Y320 VanDerWaalsContact O-CA 3.32Å; V309-Y320 WeakPolarHBondContact O-CA 3.35Å; H310-Y320 HydrophobicContact CB-CD1 3.99Å; H310-Y320 HydrophobicContact CB-CE1 3.68Å; H310-Y320 AromaticContact CD2-CE1 3.58Å; H310-Y320 AromaticContact CD2-CE2 3.72Å; H310-Y320 AromaticContact CD2-CZ 3.4Å; H310-Y320 AromaticContact CG-CE1 3.97Å; Y320-Y364 AromaticContact CE1-CD1 3.73Å; Y320-Y364 HydrophobicContact CE1-CD1 3.73Å; Y320-Y364 HydrophobicContact CE1-CE1 4.11Å; Y320-Y364 HydrophobicContact CE1-CG 4.47Å
321	I	98.7	Very high	91.7	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	162.3	173.4	66.3	176.6	0	0	0	109.2	V309 L332 F333 D334 F349	V309-I321 HydrophobicContact CB-CD1 4.25Å; V309-I321 HydrophobicContact CB-CG1 3.63Å; V309-I321 HydrophobicContact CG1-CD1 4.32Å; V309-I321 HydrophobicContact CG1-CG1 4.11Å; V309-I321 HydrophobicContact CG2-CG1 4.29Å; V309-I321 PolarHBondContact N-O 3.31Å; V309-I321 PolarHBondContact O-N 3.25Å; V309-I321 VanDerWaalsContact O-N 3.11Å; I321-L332 HydrophobicContact CD1-CD1 3.97Å; I321-L332 HydrophobicContact CD1-CD2 4.43Å; I321-L332 HydrophobicContact CD1-CG 4.22Å; I321-F333 WeakPolarHBondContact CA-O 3.34Å; I321-D334 HydrophobicContact CG2-CB 3.78Å; I321-F349 HydrophobicContact CD1-CE1 4.08Å; I321-F349 HydrophobicContact CD1-CZ 4.43Å
322	A	98.9	Very high	91.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.7	175.1	0	0	0	0	0	111.1	S52 Q55 V307 V324 L332 F333	S52-A322 WeakPolarHBondContact O-CB 3.15Å; Q55-A322 HydrophobicContact CB-CB 3.79Å; V307-A322 CarbonylContact O-C 3.57Å; V307-A322 WeakPolarHBondContact O-CA 3.35Å; A322-V324 HydrophobicContact CB-CG1 4.49Å; A322-L332 CarbonylContact O-C 3.55Å; A322-F333 HydrophobicContact CB-CB 4.35Å; A322-F333 PolarHBondContact N-O 2.75Å; A322-F333 PolarHBondContact O-N 3.19Å
323	I	98.8	Very high	92.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.9	172	-61.1	164.9	0	0	0	107	A306 V307 V309 W330 L331 I341 I346 F349	A306-I323 CarbonylContact C-O 3.58Å; A306-I323 WeakPolarHBondContact CA-O 3.44Å; V307-I323 HydrophobicContact CB-CB 4.31Å; V307-I323 PolarHBondContact N-O 2.61Å; V307-I323 PolarHBondContact O-N 3.25Å; V309-I323 HydrophobicContact CG2-CD1 3.73Å; V309-I323 HydrophobicContact CG2-CG1 4.35Å; I323-W330 HydrophobicContact CG2-CE3 3.63Å; I323-W330 HydrophobicContact CG2-CZ3 4.13Å; I323-L331 CarbonylContact C-O 3.05Å; I323-L331 VanDerWaalsContact CA-O 3.31Å; I323-L331 WeakPolarHBondContact CA-O 3.02Å; I323-I341 HydrophobicContact CD1-CD1 4.32Å; I323-I341 HydrophobicContact CG1-CD1 4.17Å; I323-I341 HydrophobicContact CG2-CD1 3.64Å; I323-I346 HydrophobicContact CG2-CD1 4.45Å; I323-I346 HydrophobicContact CG2-CG1 4.3Å; I323-F349 HydrophobicContact CD1-CD1 4.38Å; I323-F349 HydrophobicContact CD1-CD2 3.19Å; I323-F349 HydrophobicContact CD1-CE1 4.31Å; I323-F349 HydrophobicContact CD1-CE2 3.15Å; I323-F349 HydrophobicContact CD1-CG 3.85Å; I323-F349 HydrophobicContact CD1-CZ 3.74Å; I323-F349 HydrophobicContact CG1-CE2 4.36Å
324	V	98.7	Very high	93.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.9	-173.3	-58	0	0	0	0	111.3	F59 V305 A306 A322 W330 L331 F333	F59-V324 HydrophobicContact CB-CB 3.82Å; F59-V324 HydrophobicContact CB-CG1 4.03Å; F59-V324 HydrophobicContact CB-CG2 4.42Å; F59-V324 HydrophobicContact CD1-CB 4.07Å; F59-V324 HydrophobicContact CD1-CG2 3.81Å; F59-V324 HydrophobicContact CD2-CB 3.82Å; F59-V324 HydrophobicContact CD2-CG1 3.83Å; F59-V324 HydrophobicContact CD2-CG2 3.58Å; F59-V324 HydrophobicContact CE1-CG2 3.89Å; F59-V324 HydrophobicContact CE2-CB 4.41Å; F59-V324 HydrophobicContact CE2-CG2 3.66Å; F59-V324 HydrophobicContact CG-CB 3.62Å; F59-V324 HydrophobicContact CG-CG1 4.02Å; F59-V324 HydrophobicContact CG-CG2 3.66Å; F59-V324 HydrophobicContact CZ-CG2 3.81Å; V305-V324 WeakPolarHBondContact O-CA 3.37Å; A306-V324 HydrophobicContact CB-CG1 3.95Å; A322-V324 HydrophobicContact CB-CG1 4.49Å; V324-W330 WeakPolarHBondContact O-CA 3.5Å; V324-L331 HydrophobicContact CG2-CB 3.95Å; V324-L331 PolarHBondContact N-O 2.82Å; V324-L331 PolarHBondContact O-N 2.82Å; V324-F333 HydrophobicContact CG2-CD2 3.7Å; V324-F333 HydrophobicContact CG2-CE2 3.39Å
325	K	98.2	Very high	94.1	Very high	75 Å²	75	41.5 Å²	41.5	33%	0.326	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.4	174	-165.4	176.4	-178.6	-179.5	0	108.8	V305 H327 W330	V305-K325 PolarHBondContact O-N 2.73Å; K325-H327 WeakPolarHBondContact CE-O 3.49Å; K325-W330 HydrophobicContact CB-CD2 4.1Å; K325-W330 HydrophobicContact CB-CE3 3.9Å; K325-W330 HydrophobicContact CB-CH2 3.77Å; K325-W330 HydrophobicContact CB-CZ2 3.94Å; K325-W330 HydrophobicContact CB-CZ3 3.75Å; K325-W330 HydrophobicContact CD-CH2 4.36Å; K325-W330 HydrophobicContact CD-CZ2 3.89Å; K325-W330 HydrophobicContact CG-CD2 4.33Å; K325-W330 HydrophobicContact CG-CH2 4.37Å; K325-W330 HydrophobicContact CG-CZ2 4.03Å
326	S	96.5	Very high	95.3	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	106.3	169.9	-162.7	0	0	0	0	108.7	Y38 D328 F329	Y38-S326 WeakPolarHBondContact CE1-OG 3.06Å; Y38-S326 PolarHBondContact OH-OG 2.66Å; S326-D328 PolarHBondContact O-N 2.89Å; S326-F329 PolarHBondContact N-O 2.87Å; S326-F329 WeakPolarHBondContact O-CD1 3.28Å; S326-F329 PolarHBondContact O-N 2.79Å
327	H	93	Very high	96.4	Very high	75 Å²	75	42.4 Å²	42.4	35%	0.347	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-113.6	-173.5	-60.2	-100.1	0	0	0	111	P33 R61 K325	P33-H327 VanDerWaalsContact CB-CD2 3.49Å; P33-H327 WeakPolarHBondContact CB-CD2 3.38Å; P33-H327 VanDerWaalsContact CB-NE2 3.33Å; P33-H327 WeakPolarHBondContact CB-NE2 3.37Å; P33-H327 HydrophobicContact CG-CB 4.35Å; P33-H327 WeakPolarHBondContact CG-CD2 3.47Å; R61-H327 PolarHBondContact NH2-CD2 3.3Å; R61-H327 PolarHBondContact NH2-CE1 2.77Å; R61-H327 PolarHBondContact NH2-ND1 3.37Å; R61-H327 PolarHBondContact NH2-NE2 2.82Å; K325-H327 WeakPolarHBondContact CE-O 3.49Å
328	D	91.9	Very high	97.2	Very high	162 Å²	162	33.1 Å²	33.1	87%	0.866	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	4.3	-172.5	-59.9	-39.2	0	0	0	113.8	S326	S326-D328 PolarHBondContact O-N 2.89Å
329	F	96.6	Very high	97.6	Very high	14 Å²	14	37 Å²	37	6%	0.061	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	169.6	178.9	61.7	-91.3	0	0	0	112.6	I27 P33 Y38 S326 L331	I27-F329 HydrophobicContact CD1-CE2 3.79Å; I27-F329 HydrophobicContact CD1-CZ 3.94Å; I27-F329 HydrophobicContact CG1-CE2 4.08Å; I27-F329 HydrophobicContact CG1-CZ 4.27Å; I27-F329 HydrophobicContact CG2-CE1 3.96Å; I27-F329 HydrophobicContact CG2-CE2 4.45Å; I27-F329 HydrophobicContact CG2-CZ 3.86Å; P33-F329 HydrophobicContact CG-CE1 4.17Å; P33-F329 HydrophobicContact CG-CZ 4.33Å; Y38-F329 HydrophobicContact CE2-CE2 4.31Å; Y38-F329 HydrophobicContact CE2-CZ 4.05Å; Y38-F329 AromaticContact CZ-CZ 3.94Å; Y38-F329 VanDerWaalsContact OH-CZ 3.26Å; Y38-F329 WeakPolarHBondContact OH-CZ 3.42Å; S326-F329 PolarHBondContact N-O 2.87Å; S326-F329 WeakPolarHBondContact O-CD1 3.28Å; S326-F329 PolarHBondContact O-N 2.79Å; F329-L331 HydrophobicContact CD2-CD2 4.14Å; F329-L331 HydrophobicContact CD2-CG 4.12Å; F329-L331 HydrophobicContact CE2-CD1 4.08Å; F329-L331 HydrophobicContact CE2-CD2 3.84Å; F329-L331 HydrophobicContact CE2-CG 3.84Å
330	W	98.4	Very high	97.6	Very high	12 Å²	12	36.9 Å²	36.9	5%	0.045	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145	-179	-68	90	0	0	0	111.1	L284 L304 I323 V324 K325 I341 I346	L284-W330 HydrophobicContact CD2-CH2 4.46Å; L284-W330 HydrophobicContact CD2-CZ2 3.88Å; L304-W330 HydrophobicContact CB-CH2 4.17Å; L304-W330 HydrophobicContact CD2-CH2 3.94Å; L304-W330 HydrophobicContact CG-CH2 3.9Å; L304-W330 VanDerWaalsContact O-CH2 3.3Å; L304-W330 WeakPolarHBondContact O-CH2 3.46Å; I323-W330 HydrophobicContact CG2-CE3 3.63Å; I323-W330 HydrophobicContact CG2-CZ3 4.13Å; V324-W330 WeakPolarHBondContact O-CA 3.5Å; K325-W330 HydrophobicContact CB-CD2 4.1Å; K325-W330 HydrophobicContact CB-CE3 3.9Å; K325-W330 HydrophobicContact CB-CH2 3.77Å; K325-W330 HydrophobicContact CB-CZ2 3.94Å; K325-W330 HydrophobicContact CB-CZ3 3.75Å; K325-W330 HydrophobicContact CD-CH2 4.36Å; K325-W330 HydrophobicContact CD-CZ2 3.89Å; K325-W330 HydrophobicContact CG-CD2 4.33Å; K325-W330 HydrophobicContact CG-CH2 4.37Å; K325-W330 HydrophobicContact CG-CZ2 4.03Å; W330-I341 HydrophobicContact CB-CD1 4.38Å; W330-I341 HydrophobicContact CB-CG1 3.69Å; W330-I341 PolarHBondContact O-N 3.44Å; W330-I346 HydrophobicContact CD2-CD1 3.44Å; W330-I346 VanDerWaalsContact CD2-CD1 3.44Å; W330-I346 VanDerWaalsContact CE2-CD1 3.44Å; W330-I346 HydrophobicContact CE3-CD1 3.8Å; W330-I346 HydrophobicContact CG-CD1 3.83Å; W330-I346 HydrophobicContact CH2-CD1 4.13Å; W330-I346 HydrophobicContact CZ2-CD1 3.82Å; W330-I346 HydrophobicContact CZ3-CD1 4.12Å
331	L	98.6	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.2	176.3	-66.6	173.3	0	0	0	109.5	L23 I27 Y38 F59 I323 V324 F329 F333 V338 E339 K340	L23-L331 HydrophobicContact CD1-CD2 3.88Å; L23-L331 HydrophobicContact CD2-CD2 4.38Å; I27-L331 HydrophobicContact CD1-CD2 4.31Å; Y38-L331 HydrophobicContact CD1-CD1 3.46Å; Y38-L331 VanDerWaalsContact CD1-CD1 3.46Å; Y38-L331 HydrophobicContact CD2-CD1 4.04Å; Y38-L331 HydrophobicContact CE1-CD1 3.55Å; Y38-L331 HydrophobicContact CE2-CD1 4.14Å; Y38-L331 HydrophobicContact CG-CD1 3.71Å; F59-L331 HydrophobicContact CZ-CD1 4.43Å; I323-L331 CarbonylContact C-O 3.05Å; I323-L331 VanDerWaalsContact CA-O 3.31Å; I323-L331 WeakPolarHBondContact CA-O 3.02Å; V324-L331 HydrophobicContact CG2-CB 3.95Å; V324-L331 PolarHBondContact N-O 2.82Å; V324-L331 PolarHBondContact O-N 2.82Å; F329-L331 HydrophobicContact CD2-CD2 4.14Å; F329-L331 HydrophobicContact CD2-CG 4.12Å; F329-L331 HydrophobicContact CE2-CD1 4.08Å; F329-L331 HydrophobicContact CE2-CD2 3.84Å; F329-L331 HydrophobicContact CE2-CG 3.84Å; L331-F333 HydrophobicContact CB-CD2 4.13Å; L331-F333 HydrophobicContact CB-CE2 3.62Å; L331-F333 HydrophobicContact CD1-CE2 3.96Å; L331-F333 HydrophobicContact CD1-CZ 4.21Å; L331-F333 HydrophobicContact CG-CE2 4.45Å; L331-V338 HydrophobicContact CD2-CG1 4.48Å; L331-E339 CarbonylContact C-O 3.44Å; L331-E339 VanDerWaalsContact CA-O 3.28Å; L331-E339 WeakPolarHBondContact CA-O 3.29Å; L331-K340 HydrophobicContact CD2-CB 4.36Å
332	L	98.8	Very high	97.5	Very high	25 Å²	25	42.8 Å²	42.8	13%	0.131	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.8	168.8	-174.3	154.4	0	0	0	108.4	I321 A322 D334 V338 E339 I341 F349	I321-L332 HydrophobicContact CD1-CD1 3.97Å; I321-L332 HydrophobicContact CD1-CD2 4.43Å; I321-L332 HydrophobicContact CD1-CG 4.22Å; A322-L332 CarbonylContact O-C 3.55Å; L332-D334 HydrophobicContact CD2-CB 3.9Å; L332-V338 WeakPolarHBondContact O-CA 3.48Å; L332-E339 PolarHBondContact N-O 2.66Å; L332-E339 PolarHBondContact O-N 2.88Å; L332-I341 HydrophobicContact CB-CD1 4.41Å; L332-I341 HydrophobicContact CB-CG2 3.67Å; L332-I341 HydrophobicContact CD1-CG2 4.21Å; L332-F349 HydrophobicContact CD1-CZ 4.28Å
333	F	98.8	Very high	97.3	Very high	3 Å²	3	45 Å²	45	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.9	175.3	-74.8	-97.8	0	0	0	108.8	Q55 F59 I321 A322 V324 L331 V338	Q55-F333 HydrophobicContact CB-CB 4.38Å; Q55-F333 HydrophobicContact CB-CG 4.4Å; Q55-F333 HydrophobicContact CG-CB 3.9Å; Q55-F333 HydrophobicContact CG-CD1 3.96Å; Q55-F333 HydrophobicContact CG-CG 3.95Å; F59-F333 AromaticContact CE2-CE2 3.72Å; F59-F333 HydrophobicContact CE2-CE2 3.72Å; F59-F333 AromaticContact CE2-CZ 3.71Å; F59-F333 HydrophobicContact CE2-CZ 3.71Å; F59-F333 AromaticContact CZ-CE2 3.86Å; F59-F333 HydrophobicContact CZ-CE2 3.86Å; F59-F333 AromaticContact CZ-CZ 3.77Å; F59-F333 HydrophobicContact CZ-CZ 3.77Å; I321-F333 WeakPolarHBondContact CA-O 3.34Å; A322-F333 HydrophobicContact CB-CB 4.35Å; A322-F333 PolarHBondContact N-O 2.75Å; A322-F333 PolarHBondContact O-N 3.19Å; V324-F333 HydrophobicContact CG2-CD2 3.7Å; V324-F333 HydrophobicContact CG2-CE2 3.39Å; L331-F333 HydrophobicContact CB-CD2 4.13Å; L331-F333 HydrophobicContact CB-CE2 3.62Å; L331-F333 HydrophobicContact CD1-CE2 3.96Å; L331-F333 HydrophobicContact CD1-CZ 4.21Å; L331-F333 HydrophobicContact CG-CE2 4.45Å; F333-V338 HydrophobicContact CD1-CB 4.32Å; F333-V338 HydrophobicContact CD1-CG1 3.97Å; F333-V338 HydrophobicContact CD1-CG2 3.52Å; F333-V338 HydrophobicContact CD2-CG1 4.3Å; F333-V338 HydrophobicContact CE1-CB 4.2Å; F333-V338 HydrophobicContact CE1-CG1 3.6Å; F333-V338 HydrophobicContact CE1-CG2 3.47Å; F333-V338 VanDerWaalsContact CE1-CG2 3.47Å; F333-V338 HydrophobicContact CE2-CG1 3.94Å; F333-V338 HydrophobicContact CG-CG1 4.32Å; F333-V338 HydrophobicContact CG-CG2 4.42Å; F333-V338 HydrophobicContact CZ-CG1 3.58Å; F333-V338 HydrophobicContact CZ-CG2 4.32Å
334	D	98.6	Very high	97.2	Very high	49 Å²	49	52.1 Å²	52.1	26%	0.262	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	90.3	172	-175.7	-13.2	0	0	0	107.9	H319 I321 L332 D336 I337	H319-D334 IonicContact CD2-OD1 3.44Å; H319-D334 IonicContact CD2-OD2 3.31Å; H319-D334 IonicContact CE1-OD1 3.74Å; H319-D334 PolarHBondContact CE1-OD1 3.19Å; H319-D334 VanDerWaalsContact NE2-CG 3.33Å; H319-D334 IonicContact NE2-OD1 3.89Å; H319-D334 PolarHBondContact NE2-OD1 2.64Å; H319-D334 IonicContact NE2-OD2 2.92Å; H319-D334 PolarHBondContact NE2-OD2 2.98Å; I321-D334 HydrophobicContact CG2-CB 3.78Å; L332-D334 HydrophobicContact CD2-CB 3.9Å; D334-D336 PolarHBondContact O-N 3.4Å; D334-I337 HydrophobicContact CB-CB 4.36Å; D334-I337 PolarHBondContact N-O 3.2Å; D334-I337 WeakPolarHBondContact O-CA 3.37Å; D334-I337 WeakPolarHBondContact O-CB 3.14Å; D334-I337 PolarHBondContact O-N 3.37Å
335	D	98.5	Very high	97.1	Very high	14 Å²	14	53.3 Å²	53.3	8%	0.075	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	-109.1	-174	-69.7	-38.9	0	0	0	112.4	G40 L41 N43 N51 H319 I337	G40-D335 CarbonylContact C-O 3.56Å; G40-D335 VanDerWaalsContact C-O 3.27Å; G40-D335 WeakPolarHBondContact CA-O 3.47Å; L41-D335 PolarHBondContact N-O 3.46Å; L41-D335 CarbonylContact O-C 3.51Å; L41-D335 VanDerWaalsContact O-CA 3.24Å; L41-D335 WeakPolarHBondContact O-CA 3.4Å; L41-D335 WeakPolarHBondContact O-CB 3.41Å; N43-D335 HydrophobicContact CB-CB 4.27Å; N43-D335 WeakPolarHBondContact CB-OD2 3.41Å; N43-D335 PolarHBondContact ND2-OD2 3.1Å; N51-D335 PolarHBondContact ND2-OD1 3.39Å; H319-D335 IonicContact CE1-OD2 2.72Å; H319-D335 PolarHBondContact CE1-OD2 3.08Å; D335-I337 VanDerWaalsContact C-N 3.32Å
336	D	97.8	Very high	97	Very high	91 Å²	91	49.8 Å²	49.8	49%	0.487	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-6.1	-179.1	61	-33.2	0	0	0	114.4	L41 V100 D334	L41-D336 PolarHBondContact O-N 3.17Å; V100-D336 HydrophobicContact CB-CB 4.48Å; V100-D336 HydrophobicContact CG1-CB 3.63Å; V100-D336 HydrophobicContact CG2-CB 3.97Å; V100-D336 WeakPolarHBondContact CG2-O 3.35Å; D334-D336 PolarHBondContact O-N 3.4Å
337	I	98	Very high	97	Very high	78 Å²	78	54.7 Å²	54.7	40%	0.4	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.9	178.7	-55.7	177.1	0	0	0	109.9	D334 D335 E339	D334-I337 HydrophobicContact CB-CB 4.36Å; D334-I337 PolarHBondContact N-O 3.2Å; D334-I337 WeakPolarHBondContact O-CA 3.37Å; D334-I337 WeakPolarHBondContact O-CB 3.14Å; D334-I337 PolarHBondContact O-N 3.37Å; D335-I337 VanDerWaalsContact C-N 3.32Å; I337-E339 HydrophobicContact CG2-CG 3.89Å
338	V	98.3	Very high	97.1	Very high	18 Å²	18	57.9 Å²	57.9	11%	0.109	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	121.4	175	-168.2	0	0	0	0	109.2	L23 L331 L332 F333	L23-V338 HydrophobicContact CD2-CB 3.93Å; L23-V338 HydrophobicContact CD2-CG1 3.58Å; L331-V338 HydrophobicContact CD2-CG1 4.48Å; L332-V338 WeakPolarHBondContact O-CA 3.48Å; F333-V338 HydrophobicContact CD1-CB 4.32Å; F333-V338 HydrophobicContact CD1-CG1 3.97Å; F333-V338 HydrophobicContact CD1-CG2 3.52Å; F333-V338 HydrophobicContact CD2-CG1 4.3Å; F333-V338 HydrophobicContact CE1-CB 4.2Å; F333-V338 HydrophobicContact CE1-CG1 3.6Å; F333-V338 HydrophobicContact CE1-CG2 3.47Å; F333-V338 VanDerWaalsContact CE1-CG2 3.47Å; F333-V338 HydrophobicContact CE2-CG1 3.94Å; F333-V338 HydrophobicContact CG-CG1 4.32Å; F333-V338 HydrophobicContact CG-CG2 4.42Å; F333-V338 HydrophobicContact CZ-CG1 3.58Å; F333-V338 HydrophobicContact CZ-CG2 4.32Å
339	E	97.3	Very high	97.3	Very high	104 Å²	104	50.6 Å²	50.6	49%	0.486	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.4	-175.3	-68.2	-180	174.9	0	0	110.8	L331 L332 I337	L331-E339 CarbonylContact C-O 3.44Å; L331-E339 VanDerWaalsContact CA-O 3.28Å; L331-E339 WeakPolarHBondContact CA-O 3.29Å; L332-E339 PolarHBondContact N-O 2.66Å; L332-E339 PolarHBondContact O-N 2.88Å; I337-E339 HydrophobicContact CG2-CG 3.89Å
340	K	97.6	Very high	97.3	Very high	44 Å²	44	51 Å²	51	19%	0.191	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	137.4	170.6	177.4	173.9	171.7	-73.4	0	108.3	L23 E26 I27 L331 D342	L23-K340 HydrophobicContact CD1-CB 4.06Å; E26-K340 HydrophobicContact CG-CB 4.21Å; E26-K340 HydrophobicContact CG-CD 4.37Å; I27-K340 HydrophobicContact CG1-CB 4.48Å; I27-K340 HydrophobicContact CG1-CD 4.02Å; L331-K340 HydrophobicContact CD2-CB 4.36Å; K340-D342 IonicContact NZ-OD1 2.77Å
341	I	97.6	Very high	97.1	Very high	23 Å²	23	51 Å²	51	12%	0.118	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.1	174	68.2	169.1	0	0	0	110.5	I323 W330 L332 I346	I323-I341 HydrophobicContact CD1-CD1 4.32Å; I323-I341 HydrophobicContact CG1-CD1 4.17Å; I323-I341 HydrophobicContact CG2-CD1 3.64Å; W330-I341 HydrophobicContact CB-CD1 4.38Å; W330-I341 HydrophobicContact CB-CG1 3.69Å; W330-I341 PolarHBondContact O-N 3.44Å; L332-I341 HydrophobicContact CB-CD1 4.41Å; L332-I341 HydrophobicContact CB-CG2 3.67Å; L332-I341 HydrophobicContact CD1-CG2 4.21Å; I341-I346 HydrophobicContact CD1-CG1 4.33Å
342	D	96.7	Very high	96.7	Very high	110 Å²	110	52.9 Å²	52.9	59%	0.588	28%	0.275	S	S	*	.			trans	-77.2	147.8	172.1	-69.7	-32.9	0	0	0	110.5	K340 Q344 A345	K340-D342 IonicContact NZ-OD1 2.77Å; D342-Q344 PolarHBondContact O-N 2.86Å; D342-Q344 VanDerWaalsContact O-N 3.1Å; D342-A345 WeakPolarHBondContact O-CB 3.26Å; D342-A345 PolarHBondContact O-N 2.91Å
343	A	95.3	Very high	96	Very high	46 Å²	46	56.2 Å²	56.2	38%	0.38	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-58.5	-28.4	-179.8	0	0	0	0	0	112.7	L284 A345 I346	L284-A343 HydrophobicContact CD1-CB 4.37Å; A343-A345 VanDerWaalsContact C-N 3.34Å; A343-I346 VanDerWaalsContact O-CB 3.29Å; A343-I346 WeakPolarHBondContact O-CB 3.5Å; A343-I346 WeakPolarHBondContact O-CG1 3.46Å; A343-I346 PolarHBondContact O-N 2.95Å
344	Q	96.1	Very high	95	Very high	150 Å²	150	59 Å²	59	70%	0.701	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-68.5	-30.7	176.8	-169.8	174.6	10.6	0	0	112.7	D342 I346 E347	D342-Q344 PolarHBondContact O-N 2.86Å; D342-Q344 VanDerWaalsContact O-N 3.1Å; Q344-I346 PolarHBondContact O-N 3.4Å; Q344-I346 VanDerWaalsContact O-N 3.15Å; Q344-E347 WeakPolarHBondContact O-CB 3.3Å; Q344-E347 WeakPolarHBondContact O-CG 3.45Å; Q344-E347 PolarHBondContact O-N 3.34Å; Q344-E347 VanDerWaalsContact O-N 3.12Å
345	A	95.9	Very high	93.4	Very high	25 Å²	25	63.8 Å²	63.8	21%	0.207	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-64.3	-19.3	177.1	0	0	0	0	0	112.1	D342 A343 E347 E348 F349	D342-A345 WeakPolarHBondContact O-CB 3.26Å; D342-A345 PolarHBondContact O-N 2.91Å; A343-A345 VanDerWaalsContact C-N 3.34Å; A345-E347 PolarHBondContact O-N 3.44Å; A345-E348 VanDerWaalsContact O-CB 3.3Å; A345-E348 WeakPolarHBondContact O-CB 3.34Å; A345-E348 WeakPolarHBondContact O-CG 3.38Å; A345-E348 PolarHBondContact O-N 2.84Å; A345-E348 VanDerWaalsContact O-N 3.13Å; A345-F349 WeakPolarHBondContact O-CE2 3.36Å
346	I	96.8	Very high	91.5	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.005	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-61	-29.5	175.8	-60.6	175	0	0	0	111.6	F282 L284 I323 W330 I341 A343 Q344 E348 F349	F282-I346 HydrophobicContact CD2-CG2 4.39Å; F282-I346 HydrophobicContact CE2-CG2 3.52Å; F282-I346 HydrophobicContact CZ-CG2 4.26Å; L284-I346 HydrophobicContact CD2-CD1 3.97Å; I323-I346 HydrophobicContact CG2-CD1 4.45Å; I323-I346 HydrophobicContact CG2-CG1 4.3Å; W330-I346 HydrophobicContact CD2-CD1 3.44Å; W330-I346 VanDerWaalsContact CD2-CD1 3.44Å; W330-I346 VanDerWaalsContact CE2-CD1 3.44Å; W330-I346 HydrophobicContact CE3-CD1 3.8Å; W330-I346 HydrophobicContact CG-CD1 3.83Å; W330-I346 HydrophobicContact CH2-CD1 4.13Å; W330-I346 HydrophobicContact CZ2-CD1 3.82Å; W330-I346 HydrophobicContact CZ3-CD1 4.12Å; I341-I346 HydrophobicContact CD1-CG1 4.33Å; A343-I346 VanDerWaalsContact O-CB 3.29Å; A343-I346 WeakPolarHBondContact O-CB 3.5Å; A343-I346 WeakPolarHBondContact O-CG1 3.46Å; A343-I346 PolarHBondContact O-N 2.95Å; Q344-I346 PolarHBondContact O-N 3.4Å; Q344-I346 VanDerWaalsContact O-N 3.15Å; I346-E348 PolarHBondContact O-N 3.49Å; I346-F349 PolarHBondContact O-N 2.98Å; I346-F349 VanDerWaalsContact O-N 3.12Å
347	E	95.7	Very high	89.7	Confident	104 Å²	104	68.5 Å²	68.5	49%	0.486	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-63.9	-24.5	179	-59.8	-174	-161	0	0	112.9	Q344 A345 F349 Y350	Q344-E347 WeakPolarHBondContact O-CB 3.3Å; Q344-E347 WeakPolarHBondContact O-CG 3.45Å; Q344-E347 PolarHBondContact O-N 3.34Å; Q344-E347 VanDerWaalsContact O-N 3.12Å; A345-E347 PolarHBondContact O-N 3.44Å; E347-F349 PolarHBondContact O-N 2.65Å; E347-Y350 HydrophobicContact CB-CD2 4.04Å; E347-Y350 HydrophobicContact CB-CE2 3.76Å; E347-Y350 HydrophobicContact CG-CD2 4.47Å; E347-Y350 HydrophobicContact CG-CE2 3.69Å; E347-Y350 WeakPolarHBondContact O-CB 3.41Å; E347-Y350 WeakPolarHBondContact O-CD2 3.4Å; E347-Y350 VanDerWaalsContact O-CG 3.3Å; E347-Y350 PolarHBondContact O-N 2.68Å; E347-Y350 VanDerWaalsContact O-N 3.15Å
348	E	95	Very high	88	Confident	142 Å²	142	73.5 Å²	73.5	66%	0.664	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-62.5	-28.7	176.3	-59.6	-178.6	-177.7	0	0	111.4	A345 I346 Y350	A345-E348 VanDerWaalsContact O-CB 3.3Å; A345-E348 WeakPolarHBondContact O-CB 3.34Å; A345-E348 WeakPolarHBondContact O-CG 3.38Å; A345-E348 PolarHBondContact O-N 2.84Å; A345-E348 VanDerWaalsContact O-N 3.13Å; I346-E348 PolarHBondContact O-N 3.49Å; E348-Y350 VanDerWaalsContact C-N 3.31Å; E348-Y350 PolarHBondContact O-N 2.87Å
349	F	96.9	Very high	87	Confident	9 Å²	9	78 Å²	78	4%	0.039	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-88	6.6	-179.6	-50.6	-72	0	0	0	113.6	F282 V309 I321 I323 L332 A345 I346 E347 G351 E361 S362 G363	F282-F349 HydrophobicContact CZ-CB 4.18Å; V309-F349 HydrophobicContact CB-CD1 4.36Å; V309-F349 HydrophobicContact CG1-CD1 3.54Å; V309-F349 HydrophobicContact CG1-CE1 4.11Å; V309-F349 HydrophobicContact CG1-CG 4.3Å; V309-F349 HydrophobicContact CG2-CB 4.15Å; V309-F349 HydrophobicContact CG2-CD1 3.91Å; V309-F349 HydrophobicContact CG2-CG 3.95Å; I321-F349 HydrophobicContact CD1-CE1 4.08Å; I321-F349 HydrophobicContact CD1-CZ 4.43Å; I323-F349 HydrophobicContact CD1-CD1 4.38Å; I323-F349 HydrophobicContact CD1-CD2 3.19Å; I323-F349 HydrophobicContact CD1-CE1 4.31Å; I323-F349 HydrophobicContact CD1-CE2 3.15Å; I323-F349 HydrophobicContact CD1-CG 3.85Å; I323-F349 HydrophobicContact CD1-CZ 3.74Å; I323-F349 HydrophobicContact CG1-CE2 4.36Å; L332-F349 HydrophobicContact CD1-CZ 4.28Å; A345-F349 WeakPolarHBondContact O-CE2 3.36Å; I346-F349 PolarHBondContact O-N 2.98Å; I346-F349 VanDerWaalsContact O-N 3.12Å; E347-F349 PolarHBondContact O-N 2.65Å; F349-G351 PolarHBondContact O-N 3.14Å; F349-E361 HydrophobicContact CD1-CB 3.93Å; F349-E361 HydrophobicContact CE1-CB 4.12Å; F349-S362 CarbonylContact O-C 3.27Å; F349-S362 WeakPolarHBondContact O-CA 3.34Å; F349-G363 PolarHBondContact O-N 2.86Å
350	Y	97	Very high	86.5	Confident	22 Å²	22	73.2 Å²	73.2	9%	0.086	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-64.5	-25.5	170.8	-66.7	-16.3	0	0	0	111.9	R263 R279 V280 V281 F282 E347 E348	R263-Y350 PolarHBondContact NH2-O 3.46Å; R279-Y350 CarbonylContact C-O 3.57Å; R279-Y350 WeakPolarHBondContact CA-O 3.23Å; V280-Y350 PolarHBondContact N-O 2.85Å; V281-Y350 HydrophobicContact CB-CD2 4.45Å; V281-Y350 HydrophobicContact CB-CE2 4.39Å; V281-Y350 HydrophobicContact CG1-CD2 4.37Å; V281-Y350 HydrophobicContact CG1-CE1 4.45Å; V281-Y350 HydrophobicContact CG1-CE2 3.83Å; V281-Y350 HydrophobicContact CG2-CD2 4.06Å; V281-Y350 HydrophobicContact CG2-CE2 4.28Å; F282-Y350 AromaticContact CD1-CD1 3.73Å; F282-Y350 HydrophobicContact CD1-CD1 3.73Å; F282-Y350 AromaticContact CD1-CE1 3.96Å; F282-Y350 HydrophobicContact CD1-CE1 3.96Å; F282-Y350 HydrophobicContact CD2-CD1 4.3Å; F282-Y350 AromaticContact CD2-CE1 3.77Å; F282-Y350 HydrophobicContact CD2-CE1 3.77Å; F282-Y350 AromaticContact CE1-CD1 3.51Å; F282-Y350 HydrophobicContact CE1-CD1 3.51Å; F282-Y350 AromaticContact CE1-CE1 3.99Å; F282-Y350 HydrophobicContact CE1-CE1 3.99Å; F282-Y350 HydrophobicContact CE2-CD1 4.1Å; F282-Y350 AromaticContact CE2-CE1 3.78Å; F282-Y350 HydrophobicContact CE2-CE1 3.78Å; F282-Y350 HydrophobicContact CG-CD1 4.12Å; F282-Y350 AromaticContact CG-CE1 3.85Å; F282-Y350 HydrophobicContact CG-CE1 3.85Å; F282-Y350 AromaticContact CZ-CD1 3.7Å; F282-Y350 HydrophobicContact CZ-CD1 3.7Å; F282-Y350 AromaticContact CZ-CE1 3.88Å; F282-Y350 HydrophobicContact CZ-CE1 3.88Å; F282-Y350 WeakPolarHBondContact O-CE1 3.39Å; F282-Y350 PolarHBondContact O-OH 2.92Å; F282-Y350 VanDerWaalsContact O-OH 3.11Å; E347-Y350 HydrophobicContact CB-CD2 4.04Å; E347-Y350 HydrophobicContact CB-CE2 3.76Å; E347-Y350 HydrophobicContact CG-CD2 4.47Å; E347-Y350 HydrophobicContact CG-CE2 3.69Å; E347-Y350 WeakPolarHBondContact O-CB 3.41Å; E347-Y350 WeakPolarHBondContact O-CD2 3.4Å; E347-Y350 VanDerWaalsContact O-CG 3.3Å; E347-Y350 PolarHBondContact O-N 2.68Å; E347-Y350 VanDerWaalsContact O-N 3.15Å; E348-Y350 VanDerWaalsContact C-N 3.31Å; E348-Y350 PolarHBondContact O-N 2.87Å
351	G	93.2	Very high	86.4	Confident	14 Å²	14	76 Å²	76	14%	0.144	40%	0.399	C	S	.	.			trans	103.6	-168.5	-174.9	0	0	0	0	0	112	F349 S362	F349-G351 PolarHBondContact O-N 3.14Å; G351-S362 WeakPolarHBondContact CA-OG 3.36Å
352	L	89.9	Confident	86.3	Confident	39 Å²	39	75 Å²	75	20%	0.204	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-94.3	128.8	-166.9	-57.1	172.8	0	0	0	112.2	Q210 S277 R279 S354 S357	Q210-L352 PolarHBondContact NE2-O 2.81Å; S277-L352 WeakPolarHBondContact O-CB 3.33Å; S277-L352 PolarHBondContact O-N 3.02Å; R279-L352 PolarHBondContact N-O 3.27Å; L352-S354 PolarHBondContact O-N 3.44Å; L352-S357 VanDerWaalsContact CD1-O 3.27Å; L352-S357 WeakPolarHBondContact CD1-O 3.41Å; L352-S357 WeakPolarHBondContact CD1-OG 3.2Å; L352-S357 WeakPolarHBondContact CD2-OG 3.39Å
353	T	85.6	Confident	86.4	Confident	95 Å²	95	69.7 Å²	69.7	58%	0.583	37%	0.365	S	S	*	.	S	Bend	trans	-66.5	-24.7	172.9	-44.8	0	0	0	0	112.3	Q210	Q210-T353 PolarHBondContact NE2-O 2.8Å; Q210-T353 VanDerWaalsContact NE2-O 3.09Å
354	S	76.4	Confident	86.5	Confident	60 Å²	60	67.6 Å²	67.6	42%	0.42	35%	0.348	S	S	.	.	S	Bend	trans	-142.5	142.9	178.2	61.7	0	0	0	0	111	L352 I356	L352-S354 PolarHBondContact O-N 3.44Å; S354-I356 PolarHBondContact O-N 3.39Å; S354-I356 WeakPolarHBondContact OG-CD1 3.45Å
355	E	64.9	Low	86.7	Confident	151 Å²	151	60.5 Å²	60.5	71%	0.706	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	20.8	-176.9	-59.7	-172.7	162.1	0	0	115.1
356	I	59.2	Low	86.8	Confident	151 Å²	151	59.3 Å²	59.3	77%	0.774	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-32.9	-173.8	-55.1	171.8	0	0	0	111.1	S354	S354-I356 PolarHBondContact O-N 3.39Å; S354-I356 WeakPolarHBondContact OG-CD1 3.45Å
357	S	59.3	Low	86.9	Confident	52 Å²	52	59.2 Å²	59.2	36%	0.364	30%	0.304	S	S	.	.			trans	-97.1	137.5	176.4	95.5	0	0	0	0	111.3	L352 N359	L352-S357 VanDerWaalsContact CD1-O 3.27Å; L352-S357 WeakPolarHBondContact CD1-O 3.41Å; L352-S357 WeakPolarHBondContact CD1-OG 3.2Å; L352-S357 WeakPolarHBondContact CD2-OG 3.39Å; S357-N359 PolarHBondContact OG-O 3.44Å; S357-N359 VanDerWaalsContact OG-O 3.14Å
358	K	64.4	Low	87	Confident	183 Å²	183	54.3 Å²	54.3	80%	0.796	28%	0.281	S	S	*	.	S	Bend	trans	-86.5	-19.8	-178.9	-69.1	-176.3	179	177.3	0	113.6	S313	S313-K358 WeakPolarHBondContact CB-O 3.39Å
359	N	76.2	Confident	87.2	Confident	112 Å²	112	49.8 Å²	49.8	60%	0.599	26%	0.26	S	S	*	.			trans	-111.2	122.6	177.4	-77.7	-4.2	0	0	0	108.8	S357	S357-N359 PolarHBondContact OG-O 3.44Å; S357-N359 VanDerWaalsContact OG-O 3.14Å
360	S	87.8	Confident	87.1	Confident	5 Å²	5	49.9 Å²	49.9	4%	0.035	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.4	172.3	82.8	0	0	0	0	110.3	K275 S277 G312 S362	K275-S360 PolarHBondContact NZ-O 3.43Å; K275-S360 PolarHBondContact NZ-OG 3.37Å; S277-S360 WeakPolarHBondContact CB-OG 3.21Å; S277-S360 PolarHBondContact OG-OG 3.49Å; G312-S360 PolarHBondContact N-O 3.45Å; S360-S362 WeakPolarHBondContact CB-OG 3.38Å; S360-S362 PolarHBondContact OG-OG 3.34Å
361	E	94.6	Very high	86.9	Confident	103 Å²	103	54.3 Å²	54.3	48%	0.481	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.3	162.2	-53	-171.4	-174.3	0	0	105.3	V309 C311 F349	V309-E361 HydrophobicContact CG1-CB 4.12Å; C311-E361 HydrophobicContact CB-CG 3.89Å; C311-E361 VanDerWaalsContact SG-CG 3.58Å; F349-E361 HydrophobicContact CD1-CB 3.93Å; F349-E361 HydrophobicContact CE1-CB 4.12Å
362	S	96.4	Very high	86.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	133.8	-171.4	-51.8	0	0	0	0	110.1	H310 F349 G351 S360 Y364	H310-S362 PolarHBondContact N-O 3.45Å; H310-S362 PolarHBondContact O-N 3.46Å; H310-S362 VanDerWaalsContact O-N 3.13Å; F349-S362 CarbonylContact O-C 3.27Å; F349-S362 WeakPolarHBondContact O-CA 3.34Å; G351-S362 WeakPolarHBondContact CA-OG 3.36Å; S360-S362 WeakPolarHBondContact CB-OG 3.38Å; S360-S362 PolarHBondContact OG-OG 3.34Å; S362-Y364 PolarHBondContact O-N 2.75Å
363	G	97.9	Very high	86.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	130	173.5	0	0	0	0	0	109.5	L261 R263 F349	L261-G363 WeakPolarHBondContact CD1-O 3.33Å; R263-G363 PolarHBondContact NE-O 3.08Å; F349-G363 PolarHBondContact O-N 2.86Å
364	Y	98.1	Very high	86.1	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-46.2	-170.9	-175.8	-121.3	0	0	0	111.2	D124 A125 H126 H260 L261 R263 F264 V308 H310 Y320 S362	D124-Y364 VanDerWaalsContact OD1-CE1 3.25Å; D124-Y364 WeakPolarHBondContact OD1-CE1 3.35Å; D124-Y364 PolarHBondContact OD1-OH 2.65Å; D124-Y364 PolarHBondContact OD2-OH 2.83Å; A125-Y364 HydrophobicContact CB-CD1 4.32Å; A125-Y364 HydrophobicContact CB-CE1 4.28Å; H126-Y364 HydrophobicContact CB-CE1 3.95Å; H260-Y364 AromaticContact CD2-CE2 3.8Å; H260-Y364 AromaticContact CD2-CZ 3.78Å; H260-Y364 AromaticContact NE2-CE2 3.47Å; H260-Y364 WeakPolarHBondContact NE2-CE2 3.44Å; H260-Y364 AromaticContact NE2-CZ 3.44Å; H260-Y364 PolarHBondContact NE2-OH 2.94Å; L261-Y364 PolarHBondContact N-O 2.96Å; R263-Y364 HydrophobicContact CB-CD2 4.4Å; F264-Y364 AromaticContact CD2-CE2 3.81Å; F264-Y364 HydrophobicContact CD2-CE2 3.81Å; F264-Y364 AromaticContact CD2-CZ 3.82Å; F264-Y364 VanDerWaalsContact CD2-OH 3.29Å; F264-Y364 WeakPolarHBondContact CD2-OH 3.44Å; F264-Y364 HydrophobicContact CE2-CD2 4.39Å; F264-Y364 HydrophobicContact CE2-CE1 4.28Å; F264-Y364 AromaticContact CE2-CE2 3.54Å; F264-Y364 HydrophobicContact CE2-CE2 3.54Å; F264-Y364 AromaticContact CE2-CZ 3.47Å; F264-Y364 VanDerWaalsContact CE2-CZ 3.47Å; F264-Y364 VanDerWaalsContact CE2-OH 3.32Å; F264-Y364 WeakPolarHBondContact CE2-OH 3.37Å; F264-Y364 HydrophobicContact CZ-CE2 4.34Å; V308-Y364 WeakPolarHBondContact O-CA 3.39Å; V308-Y364 WeakPolarHBondContact O-CB 3.39Å; V308-Y364 PolarHBondContact O-N 2.95Å; H310-Y364 HydrophobicContact CB-CG 4.35Å; Y320-Y364 AromaticContact CE1-CD1 3.73Å; Y320-Y364 HydrophobicContact CE1-CD1 3.73Å; Y320-Y364 HydrophobicContact CE1-CE1 4.11Å; Y320-Y364 HydrophobicContact CE1-CG 4.47Å; S362-Y364 PolarHBondContact O-N 2.75Å
365	I	98.8	Very high	86.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.2	171.9	-47	171.2	0	0	0	108.3	V53 A125 H126 L129 L259 V307 V308 F367	V53-I365 HydrophobicContact CG2-CD1 4.46Å; A125-I365 HydrophobicContact CB-CD1 4.24Å; H126-I365 HydrophobicContact CB-CD1 4.09Å; L129-I365 HydrophobicContact CD2-CD1 4.11Å; L129-I365 HydrophobicContact CD2-CG2 3.93Å; L259-I365 CarbonylContact O-C 3.52Å; L259-I365 VanDerWaalsContact O-CA 3.31Å; L259-I365 WeakPolarHBondContact O-CA 3.44Å; V307-I365 CarbonylContact C-O 3.42Å; V307-I365 WeakPolarHBondContact CA-O 3.36Å; V308-I365 HydrophobicContact CB-CB 4.01Å; V308-I365 HydrophobicContact CB-CD1 4.46Å; V308-I365 HydrophobicContact CB-CG1 4.35Å; V308-I365 HydrophobicContact CG2-CB 4.32Å; V308-I365 PolarHBondContact N-O 2.96Å; V308-I365 PolarHBondContact O-N 2.84Å; V308-I365 VanDerWaalsContact O-N 3.16Å; I365-F367 HydrophobicContact CB-CE2 4.23Å; I365-F367 HydrophobicContact CG2-CD2 4.27Å; I365-F367 HydrophobicContact CG2-CE2 3.63Å; I365-F367 HydrophobicContact CG2-CZ 3.99Å
366	L	98.8	Very high	87.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.5	179.7	-45.8	172.8	0	0	0	109	I214 A258 L259 L261 F282 L304 V307 Y368	I214-L366 HydrophobicContact CD1-CD1 3.71Å; I214-L366 HydrophobicContact CG1-CD1 3.6Å; A258-L366 CarbonylContact C-O 3.54Å; A258-L366 WeakPolarHBondContact CA-O 3.13Å; L259-L366 HydrophobicContact CB-CB 4.24Å; L259-L366 PolarHBondContact N-O 3.39Å; L259-L366 PolarHBondContact O-N 3.14Å; L261-L366 HydrophobicContact CD1-CD1 4.4Å; L261-L366 HydrophobicContact CD2-CD1 4.27Å; F282-L366 HydrophobicContact CB-CD1 3.55Å; F282-L366 HydrophobicContact CB-CD2 4.35Å; F282-L366 HydrophobicContact CD1-CD1 4.14Å; F282-L366 HydrophobicContact CD1-CD2 3.89Å; F282-L366 HydrophobicContact CD2-CD2 4.04Å; F282-L366 HydrophobicContact CE1-CD2 4.11Å; F282-L366 HydrophobicContact CE2-CD2 4.26Å; F282-L366 HydrophobicContact CG-CD1 3.93Å; F282-L366 HydrophobicContact CG-CD2 3.85Å; F282-L366 HydrophobicContact CZ-CD2 4.3Å; L304-L366 HydrophobicContact CD1-CB 4.16Å; V307-L366 HydrophobicContact CB-CD2 4.34Å; V307-L366 HydrophobicContact CG1-CD2 3.78Å; V307-L366 HydrophobicContact CG2-CD2 3.88Å; L366-Y368 HydrophobicContact CB-CD2 4.13Å; L366-Y368 HydrophobicContact CB-CE2 3.78Å; L366-Y368 HydrophobicContact CD1-CE2 4.06Å
367	F	98.8	Very high	89.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.3	175.4	-66.9	-98.8	0	0	0	109	A56 L57 L129 F178 I256 A258 V305 A306 V308 I365	A56-F367 HydrophobicContact CB-CD2 3.83Å; A56-F367 HydrophobicContact CB-CE2 3.56Å; A56-F367 HydrophobicContact CB-CZ 4.16Å; L57-F367 HydrophobicContact CD2-CE1 3.98Å; L57-F367 HydrophobicContact CD2-CZ 4.47Å; L129-F367 HydrophobicContact CD1-CE1 4.31Å; L129-F367 HydrophobicContact CD1-CZ 4.03Å; L129-F367 HydrophobicContact CD2-CE1 4.29Å; L129-F367 HydrophobicContact CD2-CZ 3.77Å; F178-F367 HydrophobicContact CE1-CD1 4.24Å; F178-F367 HydrophobicContact CE1-CE1 4.2Å; I256-F367 HydrophobicContact CG2-CB 4.48Å; I256-F367 HydrophobicContact CG2-CD1 4.15Å; A258-F367 HydrophobicContact CB-CD1 4.24Å; A258-F367 HydrophobicContact CB-CE1 4.09Å; V305-F367 HydrophobicContact CG2-CB 3.95Å; V305-F367 VanDerWaalsContact CG2-O 3.31Å; V305-F367 WeakPolarHBondContact CG2-O 3.43Å; V305-F367 PolarHBondContact N-O 3.37Å; A306-F367 HydrophobicContact CB-CB 4.06Å; A306-F367 HydrophobicContact CB-CD2 4.1Å; A306-F367 HydrophobicContact CB-CG 4.35Å; A306-F367 PolarHBondContact N-O 3.45Å; A306-F367 PolarHBondContact O-N 3.26Å; V308-F367 HydrophobicContact CG2-CE2 4.13Å; I365-F367 HydrophobicContact CB-CE2 4.23Å; I365-F367 HydrophobicContact CG2-CD2 4.27Å; I365-F367 HydrophobicContact CG2-CE2 3.63Å; I365-F367 HydrophobicContact CG2-CZ 3.99Å
368	Y	98.6	Very high	91.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124	177.5	-82.2	-81.7	0	0	0	109	I256 L257 L259 P283 L286 Y302 D303 L304 L366	I256-Y368 CarbonylContact C-O 3.46Å; I256-Y368 VanDerWaalsContact CA-O 3.29Å; I256-Y368 WeakPolarHBondContact CA-O 3.26Å; L257-Y368 PolarHBondContact N-O 3.31Å; L257-Y368 PolarHBondContact O-N 2.77Å; L259-Y368 HydrophobicContact CD1-CD2 3.9Å; L259-Y368 HydrophobicContact CD1-CE2 3.9Å; L259-Y368 HydrophobicContact CG-CD2 4.45Å; P283-Y368 WeakPolarHBondContact CD-OH 3.32Å; P283-Y368 WeakPolarHBondContact O-CE1 3.39Å; P283-Y368 PolarHBondContact O-OH 2.88Å; L286-Y368 HydrophobicContact CB-CD1 3.74Å; L286-Y368 HydrophobicContact CB-CE1 3.48Å; L286-Y368 VanDerWaalsContact CB-CE1 3.48Å; L286-Y368 HydrophobicContact CD2-CD1 4.17Å; L286-Y368 HydrophobicContact CD2-CD2 4.14Å; L286-Y368 HydrophobicContact CD2-CE1 4.1Å; L286-Y368 HydrophobicContact CD2-CE2 4.06Å; L286-Y368 HydrophobicContact CD2-CG 4.18Å; L286-Y368 HydrophobicContact CG-CE1 4.4Å; Y302-Y368 WeakPolarHBondContact CD1-O 3.38Å; D303-Y368 CarbonylContact O-C 3.54Å; D303-Y368 WeakPolarHBondContact O-CA 3.23Å; L304-Y368 HydrophobicContact CB-CD1 4.15Å; L304-Y368 HydrophobicContact CB-CE1 3.8Å; L304-Y368 HydrophobicContact CD1-CD1 4.35Å; L304-Y368 HydrophobicContact CD1-CD2 4.17Å; L304-Y368 HydrophobicContact CD1-CE1 4.01Å; L304-Y368 HydrophobicContact CD1-CE2 3.81Å; L304-Y368 HydrophobicContact CD1-CG 4.43Å; L304-Y368 HydrophobicContact CG-CE1 4.49Å; L366-Y368 HydrophobicContact CB-CD2 4.13Å; L366-Y368 HydrophobicContact CB-CE2 3.78Å; L366-Y368 HydrophobicContact CD1-CE2 4.06Å
369	Q	98.1	Very high	93.7	Very high	48 Å²	48	38.6 Å²	38.6	22%	0.224	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.6	176.1	-178.4	174.6	-36	0	0	110.3	I256 Y302 D303 V305	I256-Q369 HydrophobicContact CG1-CB 4.45Å; I256-Q369 HydrophobicContact CG1-CG 4.32Å; Y302-Q369 CarbonylContact C-O 3.54Å; Y302-Q369 VanDerWaalsContact CA-O 3.26Å; Y302-Q369 WeakPolarHBondContact CA-O 3.49Å; D303-Q369 PolarHBondContact N-O 3.14Å; D303-Q369 PolarHBondContact O-N 3.35Å; V305-Q369 HydrophobicContact CG1-CB 3.65Å; V305-Q369 HydrophobicContact CG2-CB 4.13Å
370	S	95.9	Very high	95.1	Very high	10 Å²	10	32.9 Å²	32.9	7%	0.07	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	149.1	177.9	63	0	0	0	0	112.1	M255 R300 L301 Y302 D372	M255-S370 PolarHBondContact O-N 3Å; M255-S370 PolarHBondContact O-OG 3.18Å; R300-S370 VanDerWaalsContact CZ-CB 3.48Å; R300-S370 PolarHBondContact NE-OG 3.08Å; R300-S370 PolarHBondContact NH2-OG 3.18Å; L301-S370 WeakPolarHBondContact O-CA 3.42Å; Y302-S370 VanDerWaalsContact CD1-N 3.29Å; S370-D372 WeakPolarHBondContact CB-O 3.25Å; S370-D372 PolarHBondContact OG-O 3.43Å
371	R	92.6	Very high	95.7	Very high	116 Å²	116	35.3 Å²	35.3	44%	0.438	17%	0.166	S	C	.	.			trans	-75.3	-28.5	172.1	-67.4	-172.7	-179.6	175.6	2.6	113.3	E285 L301 D303	E285-R371 IonicContact OE1-CZ 3.08Å; E285-R371 IonicContact OE1-NH2 2.68Å; E285-R371 PolarHBondContact OE1-NH2 3.27Å; E285-R371 IonicContact OE2-NH2 2.66Å; E285-R371 PolarHBondContact OE2-NH2 3.19Å; L301-R371 HydrophobicContact CB-CG 4.33Å; L301-R371 PolarHBondContact O-N 3.49Å; D303-R371 IonicContact OD1-CZ 3.32Å; D303-R371 IonicContact OD1-NE 2.8Å; D303-R371 PolarHBondContact OD1-NE 3.43Å; D303-R371 IonicContact OD1-NH2 2.95Å; D303-R371 PolarHBondContact OD1-NH2 3.08Å; D303-R371 VanDerWaalsContact OD2-CG 3.25Å; D303-R371 WeakPolarHBondContact OD2-CG 3.23Å; D303-R371 IonicContact OD2-CZ 3.36Å; D303-R371 IonicContact OD2-NE 3.98Å; D303-R371 PolarHBondContact OD2-NE 3.07Å; D303-R371 IonicContact OD2-NH2 3.98Å
372	D	79.7	Confident	95.8	Very high	144 Å²	144	29.1 Å²	29.1	77%	0.77	14%	0.137	S	C	*	.			trans	-109	0	179.5	-52.5	-51.5	0	0	0	112.2	R300 S370	R300-D372 PolarHBondContact NE-O 3.4Å; R300-D372 PolarHBondContact NH2-O 3.15Å; S370-D372 WeakPolarHBondContact CB-O 3.25Å; S370-D372 PolarHBondContact OG-O 3.43Å

Retrieved 372 of 372 residues in 119.9 ms (Link to these results)

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