G4VF41_SCHMA Loading...

C85 protease (C85 family)

AlphaFold DB , UniProt , Accession G4VF41, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 293 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	41.2	Very low	47.4	Very low	254 Å²	254	147.2 Å²	147.2	100%	1.251	81%	0.814	S	S	*	*				0	135.9	0	-70.8	-170.5	173.4	0	0	109
2	G	42.4	Very low	48	Very low	76 Å²	76	148.4 Å²	148.4	78%	0.784	81%	0.805	S	S	*	*			trans	98.3	88.5	161.4	0	0	0	0	0	117.6
3	S	41.2	Very low	48.4	Very low	126 Å²	126	148.4 Å²	148.4	88%	0.881	79%	0.793	S	S	*	*			trans	-159.3	74.6	151.3	-79.9	0	0	0	0	110.2
4	K	43.2	Very low	48.9	Very low	200 Å²	200	143.1 Å²	143.1	87%	0.87	77%	0.773	S	S	*	*			trans	-145.1	97.7	168.1	-80.8	-175	177.5	175.6	0	108.3
5	S	49.5	Very low	49.4	Very low	120 Å²	120	146.3 Å²	146.3	84%	0.839	77%	0.77	S	S	*	*			trans	161.9	77.8	151	41.5	0	0	0	0	113.4
6	R	51.8	Low	49.7	Very low	242 Å²	242	147.8 Å²	147.8	91%	0.913	77%	0.768	S	S	*	*	S	Bend	trans	-131.2	-11.5	160.3	-80.1	-171.4	172.9	178.1	-2.1	115.1	N8	R6-N8 PolarHBondContact O-N 3.16Å
7	A	50.9	Low	49.9	Very low	90 Å²	90	144.7 Å²	144.7	74%	0.744	75%	0.753	S	S	*	*	H	α-helix	trans	-75.4	-21.6	-174.4	0	0	0	0	0	115.2
8	N	49	Very low	50.2	Low	130 Å²	130	142.4 Å²	142.4	70%	0.695	74%	0.742	S	S	*	*	H	α-helix	trans	-83	-20.3	-170	-138	14.9	0	0	0	114.3	R6	R6-N8 PolarHBondContact O-N 3.16Å
9	G	49.6	Very low	50.7	Low	52 Å²	52	139.7 Å²	139.7	54%	0.536	73%	0.732	S	S	.	*	H	α-helix	trans	-72.5	-40.1	-179.9	0	0	0	0	0	113.5	K13	G9-K13 PolarHBondContact O-N 3.46Å
10	N	49.7	Very low	51	Low	128 Å²	128	138.6 Å²	138.6	68%	0.684	72%	0.722	S	S	*	*	H	α-helix	trans	-70	-35.7	-176.8	-83.9	-1.6	0	0	0	112.9	K12 K13 S14	N10-K12 PolarHBondContact O-N 2.93Å; N10-K13 PolarHBondContact O-N 3.24Å; N10-S14 PolarHBondContact O-N 2.81Å
11	R	53.4	Low	51	Low	201 Å²	201	136.5 Å²	136.5	76%	0.758	71%	0.711	S	S	*	*	H	α-helix	trans	-68.2	-37	-178.2	-136.6	174.3	179.5	173.7	-0.5	112.4	R15	R11-R15 PolarHBondContact O-N 3.26Å
12	K	54.1	Low	51.5	Low	162 Å²	162	130.4 Å²	130.4	70%	0.704	68%	0.68	S	S	*	*	H	α-helix	trans	-69	-38.1	174.1	-85.2	-175.4	175.5	179.1	0	112.4	N10 K16	N10-K12 PolarHBondContact O-N 2.93Å; K12-K16 PolarHBondContact O-N 3.26Å; K12-K16 VanDerWaalsContact O-N 3.1Å
13	K	53.8	Low	52	Low	148 Å²	148	129.1 Å²	129.1	64%	0.643	66%	0.661	S	S	*	*	H	α-helix	trans	-68.9	-43.4	180	-147.9	175.6	-173.6	-178.9	0	111.7	G9 N10 K16 N17	G9-K13 PolarHBondContact O-N 3.46Å; N10-K13 PolarHBondContact O-N 3.24Å; K13-K16 PolarHBondContact O-N 3.46Å; K13-N17 PolarHBondContact O-N 3.42Å; K13-N17 PolarHBondContact O-OD1 3.25Å
14	S	54.8	Low	52.6	Low	74 Å²	74	128.4 Å²	128.4	52%	0.517	64%	0.644	S	S	.	*	H	α-helix	trans	-62.3	-44	175.5	170.9	0	0	0	0	112.5	N10 K16 N17 N18	N10-S14 PolarHBondContact O-N 2.81Å; S14-K16 PolarHBondContact O-N 2.98Å; S14-N17 PolarHBondContact O-N 2.97Å; S14-N18 PolarHBondContact O-N 3.38Å; S14-N18 VanDerWaalsContact O-N 3.07Å
15	R	56.1	Low	53.1	Low	192 Å²	192	124.4 Å²	124.4	73%	0.725	63%	0.629	S	S	*	*	H	α-helix	trans	-61.6	-42.8	175.1	-105.2	-179.1	161.9	154.2	-4.1	112.9	R11 N17 N18 V19	R11-R15 PolarHBondContact O-N 3.26Å; R15-N17 VanDerWaalsContact C-N 3.31Å; R15-N17 PolarHBondContact O-N 3.17Å; R15-N18 PolarHBondContact O-N 3.21Å; R15-V19 WeakPolarHBondContact O-CG2 3.32Å; R15-V19 PolarHBondContact O-N 3.07Å; R15-V19 VanDerWaalsContact O-N 3.16Å
16	K	55.4	Low	53.1	Low	169 Å²	169	122.4 Å²	122.4	74%	0.735	61%	0.609	S	S	*	*	H	α-helix	trans	-62.1	-38.5	176.5	-108.7	-176.4	174.5	-176.3	0	112.3	K12 K13 S14 H20	K12-K16 PolarHBondContact O-N 3.26Å; K12-K16 VanDerWaalsContact O-N 3.1Å; K13-K16 PolarHBondContact O-N 3.46Å; S14-K16 PolarHBondContact O-N 2.98Å; K16-H20 PolarHBondContact O-N 2.89Å; K16-H20 VanDerWaalsContact O-N 3.17Å
17	N	52.7	Low	53	Low	96 Å²	96	120.1 Å²	120.1	51%	0.513	60%	0.6	S	S	.	*	H	α-helix	trans	-67.8	-41.9	178.4	-70.1	-0.2	0	0	0	112	K13 S14 R15 H20 L21	K13-N17 PolarHBondContact O-N 3.42Å; K13-N17 PolarHBondContact O-OD1 3.25Å; S14-N17 PolarHBondContact O-N 2.97Å; R15-N17 VanDerWaalsContact C-N 3.31Å; R15-N17 PolarHBondContact O-N 3.17Å; N17-H20 PolarHBondContact O-N 3.19Å; N17-L21 WeakPolarHBondContact O-CD1 3.48Å; N17-L21 PolarHBondContact O-N 3.48Å
18	N	55.3	Low	52.8	Low	104 Å²	104	119.2 Å²	119.2	56%	0.556	59%	0.585	S	S	*	*	H	α-helix	trans	-62.9	-44.8	176.7	-99.3	3.7	0	0	0	112.5	S14 R15 H20 L21 E22	S14-N18 PolarHBondContact O-N 3.38Å; S14-N18 VanDerWaalsContact O-N 3.07Å; R15-N18 PolarHBondContact O-N 3.21Å; N18-H20 VanDerWaalsContact C-N 3.27Å; N18-H20 PolarHBondContact O-N 2.68Å; N18-L21 PolarHBondContact O-N 3Å; N18-E22 PolarHBondContact O-N 2.9Å
19	V	59.1	Low	52.5	Low	91 Å²	91	114.2 Å²	114.2	55%	0.552	56%	0.56	S	S	*	*	H	α-helix	trans	-63.6	-35.2	178.9	177.5	0	0	0	0	111.4	R15 A23	R15-V19 WeakPolarHBondContact O-CG2 3.32Å; R15-V19 PolarHBondContact O-N 3.07Å; R15-V19 VanDerWaalsContact O-N 3.16Å; V19-A23 VanDerWaalsContact O-CB 3.24Å; V19-A23 WeakPolarHBondContact O-CB 3.44Å; V19-A23 PolarHBondContact O-N 3.05Å
20	H	56.9	Low	52.1	Low	116 Å²	116	117.6 Å²	117.6	54%	0.537	56%	0.561	S	S	.	*	H	α-helix	trans	-69.7	-41.3	175.7	-168.9	-74.9	0	0	0	112.1	K16 N17 N18 A23 Q24	K16-H20 PolarHBondContact O-N 2.89Å; K16-H20 VanDerWaalsContact O-N 3.17Å; N17-H20 PolarHBondContact O-N 3.19Å; N18-H20 VanDerWaalsContact C-N 3.27Å; N18-H20 PolarHBondContact O-N 2.68Å; H20-A23 PolarHBondContact O-N 3.24Å; H20-Q24 PolarHBondContact CE1-OE1 3.07Å; H20-Q24 PolarHBondContact ND1-OE1 2.99Å; H20-Q24 WeakPolarHBondContact O-CB 3.34Å; H20-Q24 PolarHBondContact O-N 3.4Å
21	L	51.9	Low	51.5	Low	95 Å²	95	116.6 Å²	116.6	50%	0.497	56%	0.559	S	S	.	*	H	α-helix	trans	-64.4	-45.6	175.8	-98.9	123.6	0	0	0	111.9	N17 N18 A23 Q24 Q25	N17-L21 WeakPolarHBondContact O-CD1 3.48Å; N17-L21 PolarHBondContact O-N 3.48Å; N18-L21 PolarHBondContact O-N 3Å; L21-A23 PolarHBondContact O-N 3.48Å; L21-Q24 PolarHBondContact O-N 3.39Å; L21-Q25 WeakPolarHBondContact O-CB 3.04Å; L21-Q25 WeakPolarHBondContact O-CG 3.35Å; L21-Q25 PolarHBondContact O-N 2.87Å
22	E	50.4	Low	50.9	Low	127 Å²	127	108.2 Å²	108.2	59%	0.593	53%	0.531	S	S	*	.	H	α-helix	trans	-60.6	-44.2	174.2	-83.7	179.5	131.2	0	0	111.4	N18 Q24 Q25 D26	N18-E22 PolarHBondContact O-N 2.9Å; E22-Q24 VanDerWaalsContact C-N 3.32Å; E22-Q24 PolarHBondContact O-N 2.88Å; E22-Q25 PolarHBondContact O-N 3.08Å; E22-D26 WeakPolarHBondContact O-CB 3.38Å; E22-D26 PolarHBondContact O-N 3.36Å
23	A	53.8	Low	50.3	Low	48 Å²	48	104.7 Å²	104.7	40%	0.397	53%	0.526	S	S	.	.	H	α-helix	trans	-66.1	-32.6	177.8	0	0	0	0	0	113	V19 H20 L21 R27	V19-A23 VanDerWaalsContact O-CB 3.24Å; V19-A23 WeakPolarHBondContact O-CB 3.44Å; V19-A23 PolarHBondContact O-N 3.05Å; H20-A23 PolarHBondContact O-N 3.24Å; L21-A23 PolarHBondContact O-N 3.48Å; A23-R27 WeakPolarHBondContact O-CB 3.46Å; A23-R27 WeakPolarHBondContact O-CG 3.34Å; A23-R27 PolarHBondContact O-N 3.23Å
24	Q	54.2	Low	49.5	Very low	112 Å²	112	104.6 Å²	104.6	52%	0.523	53%	0.525	S	S	.	.	H	α-helix	trans	-72.3	-39.4	173.9	-121.5	168.5	-9.3	0	0	111.7	H20 L21 E22 D26 T28	H20-Q24 PolarHBondContact CE1-OE1 3.07Å; H20-Q24 PolarHBondContact ND1-OE1 2.99Å; H20-Q24 WeakPolarHBondContact O-CB 3.34Å; H20-Q24 PolarHBondContact O-N 3.4Å; L21-Q24 PolarHBondContact O-N 3.39Å; E22-Q24 VanDerWaalsContact C-N 3.32Å; E22-Q24 PolarHBondContact O-N 2.88Å; Q24-D26 VanDerWaalsContact C-N 3.34Å; Q24-T28 WeakPolarHBondContact O-CG2 3.36Å; Q24-T28 PolarHBondContact O-N 2.74Å; Q24-T28 PolarHBondContact O-OG1 2.87Å
25	Q	52	Low	48.7	Very low	115 Å²	115	102.3 Å²	102.3	54%	0.537	51%	0.514	S	S	.	.	H	α-helix	trans	-63.8	-41.1	172.1	-76.1	177.6	-3.2	0	0	110.9	L21 E22 T28 S29 K89	L21-Q25 WeakPolarHBondContact O-CB 3.04Å; L21-Q25 WeakPolarHBondContact O-CG 3.35Å; L21-Q25 PolarHBondContact O-N 2.87Å; E22-Q25 PolarHBondContact O-N 3.08Å; Q25-T28 WeakPolarHBondContact CA-OG1 3.47Å; Q25-T28 PolarHBondContact O-N 3.28Å; Q25-T28 PolarHBondContact O-OG1 2.86Å; Q25-S29 PolarHBondContact O-N 3.29Å; Q25-S29 PolarHBondContact O-OG 3.48Å; Q25-K89 PolarHBondContact O-NZ 3.5Å
26	D	51.1	Low	47.8	Very low	79 Å²	79	99.6 Å²	99.6	42%	0.422	51%	0.513	S	S	.	.	H	α-helix	trans	-71	-36.2	-179.7	-157.2	48.1	0	0	0	112.7	E22 Q24 S29 K30	E22-D26 WeakPolarHBondContact O-CB 3.38Å; E22-D26 PolarHBondContact O-N 3.36Å; Q24-D26 VanDerWaalsContact C-N 3.34Å; D26-S29 WeakPolarHBondContact O-CB 3.24Å; D26-S29 PolarHBondContact O-N 2.79Å; D26-K30 PolarHBondContact O-N 2.92Å; D26-K30 IonicContact OD2-NZ 2.7Å; D26-K30 PolarHBondContact OD2-NZ 2.92Å
27	R	49.9	Very low	47.5	Very low	194 Å²	194	97.4 Å²	97.4	73%	0.732	51%	0.509	S	S	*	.	H	α-helix	trans	-66.2	-41.1	170.6	-78.7	-176.5	-171.2	-166.7	2.9	112.3	A23 K30 V31	A23-R27 WeakPolarHBondContact O-CB 3.46Å; A23-R27 WeakPolarHBondContact O-CG 3.34Å; A23-R27 PolarHBondContact O-N 3.23Å; R27-K30 PolarHBondContact O-N 2.97Å; R27-V31 WeakPolarHBondContact O-CG2 3.2Å; R27-V31 PolarHBondContact O-N 2.9Å; R27-V31 VanDerWaalsContact O-N 3.17Å
28	T	45.7	Very low	47.2	Very low	71 Å²	71	99.8 Å²	99.8	44%	0.436	52%	0.518	S	S	.	.	H	α-helix	trans	-71.5	-31	175	50.4	0	0	0	0	111.8	Q24 Q25 V31 C32	Q24-T28 WeakPolarHBondContact O-CG2 3.36Å; Q24-T28 PolarHBondContact O-N 2.74Å; Q24-T28 PolarHBondContact O-OG1 2.87Å; Q25-T28 WeakPolarHBondContact CA-OG1 3.47Å; Q25-T28 PolarHBondContact O-N 3.28Å; Q25-T28 PolarHBondContact O-OG1 2.86Å; T28-V31 PolarHBondContact O-N 3.08Å; T28-C32 PolarHBondContact O-N 3.15Å; T28-C32 VanDerWaalsContact O-N 3.11Å
29	S	42.4	Very low	46.9	Very low	24 Å²	24	100.7 Å²	100.7	17%	0.168	52%	0.522	C	S	.	.	H	α-helix	trans	-55.3	-53.3	166	-47.9	0	0	0	0	110.9	Q25 D26 V31 C32 C33 K89	Q25-S29 PolarHBondContact O-N 3.29Å; Q25-S29 PolarHBondContact O-OG 3.48Å; D26-S29 WeakPolarHBondContact O-CB 3.24Å; D26-S29 PolarHBondContact O-N 2.79Å; S29-V31 PolarHBondContact O-N 3.12Å; S29-C32 PolarHBondContact O-N 2.75Å; S29-C32 VanDerWaalsContact O-N 3.16Å; S29-C33 PolarHBondContact O-N 3.17Å; S29-C33 PolarHBondContact O-SG 2.96Å; S29-K89 VanDerWaalsContact CB-NZ 3.25Å; S29-K89 WeakPolarHBondContact OG-CE 3.34Å; S29-K89 PolarHBondContact OG-NZ 3.45Å
30	K	41.9	Very low	46.9	Very low	124 Å²	124	99.7 Å²	99.7	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-66.1	-20.1	-177.4	-78.7	169.6	178.7	138.8	0	113.7	D26 R27 K34	D26-K30 PolarHBondContact O-N 2.92Å; D26-K30 IonicContact OD2-NZ 2.7Å; D26-K30 PolarHBondContact OD2-NZ 2.92Å; R27-K30 PolarHBondContact O-N 2.97Å; K30-K34 WeakPolarHBondContact O-CB 3.16Å; K30-K34 WeakPolarHBondContact O-CG 3.3Å; K30-K34 PolarHBondContact O-N 2.78Å
31	V	37.1	Very low	47.6	Very low	106 Å²	106	97.9 Å²	97.9	64%	0.642	50%	0.503	S	S	*	.	H	α-helix	trans	-81.5	-41.4	172.8	174.5	0	0	0	0	111.1	R27 T28 S29 C33 K34	R27-V31 WeakPolarHBondContact O-CG2 3.2Å; R27-V31 PolarHBondContact O-N 2.9Å; R27-V31 VanDerWaalsContact O-N 3.17Å; T28-V31 PolarHBondContact O-N 3.08Å; S29-V31 PolarHBondContact O-N 3.12Å; V31-C33 VanDerWaalsContact C-N 3.32Å; V31-C33 PolarHBondContact O-N 3.07Å; V31-K34 PolarHBondContact O-N 3.47Å
32	C	40.8	Very low	48.9	Very low	26 Å²	26	95.8 Å²	95.8	18%	0.176	49%	0.489	C	S	.	.	H	α-helix	trans	-66.5	-31.6	172.5	-86.6	0	0	0	0	113.1	T28 S29 K34 N71	T28-C32 PolarHBondContact O-N 3.15Å; T28-C32 VanDerWaalsContact O-N 3.11Å; S29-C32 PolarHBondContact O-N 2.75Å; S29-C32 VanDerWaalsContact O-N 3.16Å; C32-K34 VanDerWaalsContact C-N 3.29Å; C32-K34 PolarHBondContact O-N 2.83Å; C32-N71 PolarHBondContact SG-ND2 2.79Å
33	C	41.3	Very low	50.3	Low	88 Å²	88	90.2 Å²	90.2	60%	0.595	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	1	177.1	-52	0	0	0	0	113.6	S29 V31 G35	S29-C33 PolarHBondContact O-N 3.17Å; S29-C33 PolarHBondContact O-SG 2.96Å; V31-C33 VanDerWaalsContact C-N 3.32Å; V31-C33 PolarHBondContact O-N 3.07Å; C33-G35 PolarHBondContact O-N 2.91Å; C33-G35 VanDerWaalsContact O-N 3.11Å
34	K	36.1	Very low	51.4	Low	145 Å²	145	93 Å²	93	63%	0.63	47%	0.466	S	S	*	.			trans	-86.2	50.9	178.7	-100.1	179.1	177.3	-170	0	111.5	K30 V31 C32 N36	K30-K34 WeakPolarHBondContact O-CB 3.16Å; K30-K34 WeakPolarHBondContact O-CG 3.3Å; K30-K34 PolarHBondContact O-N 2.78Å; V31-K34 PolarHBondContact O-N 3.47Å; C32-K34 VanDerWaalsContact C-N 3.29Å; C32-K34 PolarHBondContact O-N 2.83Å; K34-N36 PolarHBondContact O-N 3.31Å; K34-N36 VanDerWaalsContact O-N 3.11Å
35	G	38.4	Very low	52.6	Low	27 Å²	27	93.2 Å²	93.2	28%	0.278	47%	0.471	S	S	.	.			trans	-79.7	69.6	157.1	0	0	0	0	0	108.5	C33	C33-G35 PolarHBondContact O-N 2.91Å; C33-G35 VanDerWaalsContact O-N 3.11Å
36	N	38.5	Very low	54.2	Low	134 Å²	134	88.4 Å²	88.4	72%	0.717	45%	0.449	S	S	*	.			trans	-94.2	-3.6	178.9	-82.3	7	0	0	0	112.9	K34	K34-N36 PolarHBondContact O-N 3.31Å; K34-N36 VanDerWaalsContact O-N 3.11Å
37	D	47.3	Very low	55.9	Low	123 Å²	123	90.7 Å²	90.7	66%	0.658	47%	0.468	S	S	*	.	S	Bend	trans	-98.9	121.4	169.1	-72.6	-36.4	0	0	0	108.1	N39 D40	D37-N39 PolarHBondContact O-N 3.04Å; D37-D40 WeakPolarHBondContact O-CB 3.35Å; D37-D40 PolarHBondContact O-N 3.29Å
38	E	47.3	Very low	57.9	Low	146 Å²	146	82.3 Å²	82.3	68%	0.682	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-13.4	172	-80.4	-130.9	-173	0	0	114.1	K44	E38-K44 VanDerWaalsContact O-CD 3.32Å; E38-K44 WeakPolarHBondContact O-CD 3.45Å; E38-K44 WeakPolarHBondContact O-CE 3.35Å; E38-K44 PolarHBondContact O-NZ 2.9Å; E38-K44 IonicContact OE2-NZ 3.24Å; E38-K44 PolarHBondContact OE2-NZ 3.14Å
39	N	49.2	Very low	60.1	Low	123 Å²	123	79.2 Å²	79.2	66%	0.658	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.4	175.6	-75.8	-42.4	0	0	0	115.2	D37 Y41	D37-N39 PolarHBondContact O-N 3.04Å; N39-Y41 PolarHBondContact O-N 3.36Å
40	D	59.4	Low	62.5	Low	70 Å²	70	82.5 Å²	82.5	37%	0.374	44%	0.442	S	S	.	.			trans	-82.2	-0.5	-173.9	-158.9	26.1	0	0	0	113.9	D37	D37-D40 WeakPolarHBondContact O-CB 3.35Å; D37-D40 PolarHBondContact O-N 3.29Å
41	Y	70.7	Confident	65.1	Low	79 Å²	79	80.6 Å²	80.6	31%	0.31	44%	0.435	S	S	.	.			trans	-86.5	113.3	175.9	-76.7	-87.2	0	0	0	110.5	N39 L43 K44 E65	N39-Y41 PolarHBondContact O-N 3.36Å; Y41-L43 PolarHBondContact O-N 3.26Å; Y41-L43 VanDerWaalsContact O-N 3.14Å; Y41-K44 PolarHBondContact O-N 3.49Å; Y41-E65 HydrophobicContact CD1-CB 3.86Å; Y41-E65 HydrophobicContact CE1-CB 4.12Å
42	Y	79.7	Confident	67.8	Low	50 Å²	50	75.6 Å²	75.6	20%	0.196	40%	0.404	C	S	.	.	H	α-helix	trans	-51.2	-40.1	-175.8	175.2	-87.9	0	0	0	113.1	K44 N45 D46 H177 G179 H181	Y42-K44 VanDerWaalsContact C-N 3.31Å; Y42-K44 PolarHBondContact O-N 3.46Å; Y42-N45 PolarHBondContact O-N 2.79Å; Y42-D46 HydrophobicContact CD1-CB 4.27Å; Y42-D46 HydrophobicContact CE1-CB 3.72Å; Y42-D46 WeakPolarHBondContact CE1-OD2 3.29Å; Y42-D46 PolarHBondContact O-N 2.88Å; Y42-D46 PolarHBondContact OH-OD2 3.03Å; Y42-H177 HydrophobicContact CD1-CB 4.43Å; Y42-H177 HydrophobicContact CE1-CB 3.59Å; Y42-G179 VanDerWaalsContact OH-CA 3.3Å; Y42-G179 WeakPolarHBondContact OH-CA 3.44Å; Y42-G179 PolarHBondContact OH-N 3.04Å; Y42-H181 HydrophobicContact CD1-CB 3.55Å; Y42-H181 AromaticContact CD1-CD2 3.58Å; Y42-H181 AromaticContact CD1-CG 3.58Å; Y42-H181 HydrophobicContact CD2-CB 3.8Å; Y42-H181 HydrophobicContact CE1-CB 3.75Å; Y42-H181 HydrophobicContact CE2-CB 3.97Å; Y42-H181 HydrophobicContact CG-CB 3.62Å; Y42-H181 AromaticContact CG-CD2 3.86Å; Y42-H181 AromaticContact CG-CG 3.53Å; Y42-H181 AromaticContact CG-ND1 3.95Å
43	L	79	Confident	70.4	Confident	10 Å²	10	77.9 Å²	77.9	5%	0.052	41%	0.409	C	S	.	.	H	α-helix	trans	-72.2	-19.8	-172.3	-61.5	177.9	0	0	0	114.5	Y41 N45 D46 A49 F63 E65 H177	Y41-L43 PolarHBondContact O-N 3.26Å; Y41-L43 VanDerWaalsContact O-N 3.14Å; L43-N45 PolarHBondContact O-N 2.9Å; L43-D46 HydrophobicContact CD2-CB 4.45Å; L43-D46 PolarHBondContact O-N 2.67Å; L43-A49 HydrophobicContact CB-CB 4.23Å; L43-A49 HydrophobicContact CD2-CB 4.01Å; L43-F63 HydrophobicContact CB-CE2 4.41Å; L43-F63 HydrophobicContact CD1-CD2 3.25Å; L43-F63 HydrophobicContact CD1-CE2 3.09Å; L43-F63 HydrophobicContact CD1-CG 4.06Å; L43-F63 HydrophobicContact CD1-CZ 3.83Å; L43-F63 HydrophobicContact CG-CE2 4.21Å; L43-E65 HydrophobicContact CB-CG 4.1Å; L43-E65 HydrophobicContact CD1-CG 3.23Å; L43-E65 HydrophobicContact CG-CG 3.97Å; L43-H177 WeakPolarHBondContact CD2-CE1 3.35Å
44	K	77	Confident	72.9	Confident	108 Å²	108	79.3 Å²	79.3	47%	0.47	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-27.5	170.2	-73.4	-174.9	177	179.2	0	112.1	E38 Y41 Y42	E38-K44 VanDerWaalsContact O-CD 3.32Å; E38-K44 WeakPolarHBondContact O-CD 3.45Å; E38-K44 WeakPolarHBondContact O-CE 3.35Å; E38-K44 PolarHBondContact O-NZ 2.9Å; E38-K44 IonicContact OE2-NZ 3.24Å; E38-K44 PolarHBondContact OE2-NZ 3.14Å; Y41-K44 PolarHBondContact O-N 3.49Å; Y42-K44 VanDerWaalsContact C-N 3.31Å; Y42-K44 PolarHBondContact O-N 3.46Å
45	N	80.2	Confident	75.7	Confident	116 Å²	116	74.4 Å²	74.4	62%	0.62	39%	0.386	S	S	*	.	H	α-helix	trans	-104.9	-3.1	-176.7	-61.5	-44.8	0	0	0	113.3	Y42 L43 P47	Y42-N45 PolarHBondContact O-N 2.79Å; L43-N45 PolarHBondContact O-N 2.9Å; N45-P47 WeakPolarHBondContact O-CD 3.34Å
46	D	84.4	Confident	78.3	Confident	14 Å²	14	73.1 Å²	73.1	8%	0.075	37%	0.373	C	S	.	.			trans	-90	109.5	178.2	-171.9	-20.7	0	0	0	110.5	Y42 L43 S48 A49	Y42-D46 HydrophobicContact CD1-CB 4.27Å; Y42-D46 HydrophobicContact CE1-CB 3.72Å; Y42-D46 WeakPolarHBondContact CE1-OD2 3.29Å; Y42-D46 PolarHBondContact O-N 2.88Å; Y42-D46 PolarHBondContact OH-OD2 3.03Å; L43-D46 HydrophobicContact CD2-CB 4.45Å; L43-D46 PolarHBondContact O-N 2.67Å; D46-S48 VanDerWaalsContact CG-OG 3.29Å; D46-S48 PolarHBondContact O-N 3.48Å; D46-S48 VanDerWaalsContact O-N 3.11Å; D46-S48 WeakPolarHBondContact OD1-CA 3.43Å; D46-S48 VanDerWaalsContact OD1-CB 3.31Å; D46-S48 WeakPolarHBondContact OD1-CB 3.41Å; D46-S48 PolarHBondContact OD1-N 3.07Å; D46-S48 PolarHBondContact OD1-OG 3.47Å; D46-S48 PolarHBondContact OD2-OG 3.04Å; D46-A49 HydrophobicContact CB-CB 4.08Å; D46-A49 WeakPolarHBondContact O-CB 3.18Å; D46-A49 PolarHBondContact O-N 3.48Å
47	P	88.1	Confident	80.9	Confident	126 Å²	126	69.6 Å²	69.6	82%	0.818	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.2	-179.7	28	-35.7	0	0	0	113.2	N45	N45-P47 WeakPolarHBondContact O-CD 3.34Å
48	S	91.2	Very high	82.9	Confident	19 Å²	19	69.9 Å²	69.9	13%	0.133	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.7	178.1	75.7	0	0	0	0	113.4	D46 E51 F52	D46-S48 VanDerWaalsContact CG-OG 3.29Å; D46-S48 PolarHBondContact O-N 3.48Å; D46-S48 VanDerWaalsContact O-N 3.11Å; D46-S48 WeakPolarHBondContact OD1-CA 3.43Å; D46-S48 VanDerWaalsContact OD1-CB 3.31Å; D46-S48 WeakPolarHBondContact OD1-CB 3.41Å; D46-S48 PolarHBondContact OD1-N 3.07Å; D46-S48 PolarHBondContact OD1-OG 3.47Å; D46-S48 PolarHBondContact OD2-OG 3.04Å; S48-E51 PolarHBondContact O-N 3.33Å; S48-F52 WeakPolarHBondContact O-CB 3.33Å; S48-F52 PolarHBondContact O-N 3.38Å
49	A	91.7	Very high	84.9	Confident	6 Å²	6	66 Å²	66	5%	0.05	34%	0.336	C	S	.	.	H	α-helix	trans	-58	-41.5	-177.1	0	0	0	0	0	114.1	L43 D46 E51 F52 R53 F63	L43-A49 HydrophobicContact CB-CB 4.23Å; L43-A49 HydrophobicContact CD2-CB 4.01Å; D46-A49 HydrophobicContact CB-CB 4.08Å; D46-A49 WeakPolarHBondContact O-CB 3.18Å; D46-A49 PolarHBondContact O-N 3.48Å; A49-E51 PolarHBondContact O-N 3.33Å; A49-F52 PolarHBondContact O-N 2.97Å; A49-R53 VanDerWaalsContact O-CB 3.32Å; A49-R53 WeakPolarHBondContact O-CB 3.47Å; A49-R53 PolarHBondContact O-N 2.94Å; A49-F63 HydrophobicContact CB-CZ 4.23Å
50	P	93.4	Very high	86.8	Confident	93 Å²	93	61.5 Å²	61.5	60%	0.604	32%	0.318	S	S	*	.	H	α-helix	trans	-62.5	-44.1	177.8	-24.1	35.1	0	0	0	113.1	R53 Q54	P50-R53 PolarHBondContact O-N 3.48Å; P50-Q54 PolarHBondContact O-N 3.33Å
51	E	95.4	Very high	88.5	Confident	83 Å²	83	58.4 Å²	58.4	39%	0.388	30%	0.301	S	S	.	.	H	α-helix	trans	-66.4	-40.8	178.5	-169	-179	-157.2	0	0	110.7	S48 A49 Q54 Q55 L147 K148	S48-E51 PolarHBondContact O-N 3.33Å; A49-E51 PolarHBondContact O-N 3.33Å; E51-Q54 WeakPolarHBondContact O-CB 3.3Å; E51-Q54 PolarHBondContact O-N 3.44Å; E51-Q55 PolarHBondContact O-N 3.46Å; E51-L147 HydrophobicContact CB-CD1 4.26Å; E51-L147 HydrophobicContact CG-CD1 3.89Å; E51-K148 VanDerWaalsContact CD-CE 3.43Å; E51-K148 WeakPolarHBondContact OE1-CE 3.35Å; E51-K148 IonicContact OE1-NZ 2.74Å; E51-K148 PolarHBondContact OE1-NZ 2.88Å; E51-K148 WeakPolarHBondContact OE2-CE 3.44Å; E51-K148 IonicContact OE2-NZ 3.39Å; E51-K148 PolarHBondContact OE2-NZ 3.35Å
52	F	95	Very high	89.6	Confident	1 Å²	1	55.9 Å²	55.9	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-68.6	-39.2	178.3	-167.8	-168.1	0	0	0	112.1	S48 A49 Q54 Q55 L56 H145 L147 A175 H177	S48-F52 WeakPolarHBondContact O-CB 3.33Å; S48-F52 PolarHBondContact O-N 3.38Å; A49-F52 PolarHBondContact O-N 2.97Å; F52-Q54 VanDerWaalsContact C-N 3.31Å; F52-Q54 PolarHBondContact O-N 3.06Å; F52-Q55 HydrophobicContact CD2-CB 4.47Å; F52-Q55 WeakPolarHBondContact O-CB 3.49Å; F52-Q55 PolarHBondContact O-N 3.03Å; F52-L56 HydrophobicContact CD2-CG 4.29Å; F52-L56 HydrophobicContact CE2-CD1 4.38Å; F52-L56 HydrophobicContact CE2-CD2 4.17Å; F52-L56 HydrophobicContact CE2-CG 4.08Å; F52-L56 PolarHBondContact O-N 3.33Å; F52-H145 HydrophobicContact CE2-CB 4.19Å; F52-H145 HydrophobicContact CZ-CB 4.01Å; F52-H145 WeakPolarHBondContact CZ-O 3.43Å; F52-L147 HydrophobicContact CB-CB 4.1Å; F52-L147 HydrophobicContact CB-CD1 4.04Å; F52-L147 HydrophobicContact CB-CG 4.44Å; F52-L147 HydrophobicContact CD1-CB 4.35Å; F52-L147 HydrophobicContact CD2-CB 4.09Å; F52-L147 HydrophobicContact CG-CB 3.94Å; F52-A175 HydrophobicContact CE1-CB 3.77Å; F52-A175 HydrophobicContact CZ-CB 3.79Å; F52-H177 AromaticContact CD1-CE1 3.62Å; F52-H177 AromaticContact CD1-ND1 3.42Å; F52-H177 WeakPolarHBondContact CD1-ND1 3.47Å; F52-H177 AromaticContact CE1-CE1 3.72Å; F52-H177 AromaticContact CE1-ND1 3.66Å
53	R	94.5	Very high	90.3	Very high	75 Å²	75	53.9 Å²	53.9	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-44.4	172.6	-166.2	172.7	-77.7	-120.6	12.9	110.7	A49 P50 Q55 L56 N57 D62 F63 E65	A49-R53 VanDerWaalsContact O-CB 3.32Å; A49-R53 WeakPolarHBondContact O-CB 3.47Å; A49-R53 PolarHBondContact O-N 2.94Å; P50-R53 PolarHBondContact O-N 3.48Å; R53-Q55 VanDerWaalsContact C-N 3.31Å; R53-Q55 PolarHBondContact O-N 2.9Å; R53-L56 PolarHBondContact O-N 2.83Å; R53-N57 WeakPolarHBondContact O-CB 3.24Å; R53-N57 PolarHBondContact O-N 3.35Å; R53-N57 PolarHBondContact O-OD1 2.9Å; R53-D62 WeakPolarHBondContact CD-OD1 3.35Å; R53-D62 WeakPolarHBondContact CG-OD1 3.42Å; R53-D62 IonicContact CZ-OD1 3.84Å; R53-D62 VanDerWaalsContact CZ-OD1 3.29Å; R53-D62 IonicContact CZ-OD2 3.65Å; R53-D62 IonicContact NE-OD1 3.88Å; R53-D62 PolarHBondContact NE-OD1 2.81Å; R53-D62 IonicContact NH1-OD1 3.66Å; R53-D62 PolarHBondContact NH1-OD1 3.35Å; R53-D62 IonicContact NH1-OD2 2.78Å; R53-D62 PolarHBondContact NH1-OD2 3.21Å; R53-F63 HydrophobicContact CB-CD1 4.43Å; R53-F63 HydrophobicContact CB-CE1 3.52Å; R53-F63 HydrophobicContact CB-CZ 3.71Å; R53-F63 HydrophobicContact CG-CE1 4.02Å; R53-F63 HydrophobicContact CG-CZ 4.1Å; R53-E65 IonicContact NH2-OE1 3.87Å; R53-E65 PolarHBondContact NH2-OE1 3.43Å
54	Q	95	Very high	91	Very high	117 Å²	117	55.7 Å²	55.7	55%	0.547	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-41.6	175.8	-171.2	-177.4	9.2	0	0	112.1	P50 E51 F52 N57 Q58	P50-Q54 PolarHBondContact O-N 3.33Å; E51-Q54 WeakPolarHBondContact O-CB 3.3Å; E51-Q54 PolarHBondContact O-N 3.44Å; F52-Q54 VanDerWaalsContact C-N 3.31Å; F52-Q54 PolarHBondContact O-N 3.06Å; Q54-N57 PolarHBondContact O-N 2.88Å; Q54-Q58 WeakPolarHBondContact O-CG 3.29Å; Q54-Q58 PolarHBondContact O-N 3.02Å; Q54-Q58 VanDerWaalsContact O-N 3.15Å
55	Q	94.7	Very high	91.6	Very high	42 Å²	42	53.3 Å²	53.3	20%	0.196	28%	0.282	C	S	.	.	H	α-helix	trans	-59.9	-46.4	175.2	179.4	-176.6	-63.1	0	0	111.9	E51 F52 R53 Q58 Q146	E51-Q55 PolarHBondContact O-N 3.46Å; F52-Q55 HydrophobicContact CD2-CB 4.47Å; F52-Q55 WeakPolarHBondContact O-CB 3.49Å; F52-Q55 PolarHBondContact O-N 3.03Å; R53-Q55 VanDerWaalsContact C-N 3.31Å; R53-Q55 PolarHBondContact O-N 2.9Å; Q55-Q58 PolarHBondContact O-N 2.95Å; Q55-Q146 PolarHBondContact NE2-O 3.41Å
56	L	92.3	Very high	92.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65	-41.2	177	-67.7	-179.7	0	0	0	111.6	F52 R53 Q58 L59 G60 L61 F63 H145 V185	F52-L56 HydrophobicContact CD2-CG 4.29Å; F52-L56 HydrophobicContact CE2-CD1 4.38Å; F52-L56 HydrophobicContact CE2-CD2 4.17Å; F52-L56 HydrophobicContact CE2-CG 4.08Å; F52-L56 PolarHBondContact O-N 3.33Å; R53-L56 PolarHBondContact O-N 2.83Å; L56-Q58 PolarHBondContact O-N 3.21Å; L56-L59 CarbonylContact O-C 3.49Å; L56-L59 WeakPolarHBondContact O-CA 3.29Å; L56-L59 WeakPolarHBondContact O-CB 3.36Å; L56-L59 PolarHBondContact O-N 3.39Å; L56-G60 PolarHBondContact O-N 3Å; L56-L61 CarbonylContact C-O 2.99Å; L56-L61 HydrophobicContact CB-CB 4.14Å; L56-L61 WeakPolarHBondContact CB-O 3.4Å; L56-L61 PolarHBondContact O-N 2.99Å; L56-L61 VanDerWaalsContact O-O 3.07Å; L56-F63 HydrophobicContact CD1-CB 4.26Å; L56-F63 HydrophobicContact CD1-CD1 3.78Å; L56-F63 HydrophobicContact CD1-CG 4.49Å; L56-H145 HydrophobicContact CD2-CB 3.99Å; L56-V185 HydrophobicContact CD1-CG1 4.39Å; L56-V185 HydrophobicContact CD1-CG2 4.06Å; L56-V185 HydrophobicContact CD2-CG1 4.41Å
57	N	93	Very high	92.5	Very high	60 Å²	60	48 Å²	48	32%	0.321	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-33.8	179.7	-71.1	-3.9	0	0	0	112	R53 Q54 L59 G60 L61 F188	R53-N57 WeakPolarHBondContact O-CB 3.24Å; R53-N57 PolarHBondContact O-N 3.35Å; R53-N57 PolarHBondContact O-OD1 2.9Å; Q54-N57 PolarHBondContact O-N 2.88Å; N57-L59 PolarHBondContact O-N 3.01Å; N57-G60 PolarHBondContact O-N 3.43Å; N57-L61 VanDerWaalsContact CA-O 3.25Å; N57-L61 WeakPolarHBondContact CA-O 2.83Å; N57-L61 PolarHBondContact N-O 3.35Å; N57-L61 PolarHBondContact OD1-O 3.22Å; N57-F188 WeakPolarHBondContact OD1-CD2 3.26Å
58	Q	90.4	Very high	92.5	Very high	129 Å²	129	43.8 Å²	43.8	60%	0.603	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.3	174	-69.8	174	17	0	0	113.7	Q54 Q55 L56	Q54-Q58 WeakPolarHBondContact O-CG 3.29Å; Q54-Q58 PolarHBondContact O-N 3.02Å; Q54-Q58 VanDerWaalsContact O-N 3.15Å; Q55-Q58 PolarHBondContact O-N 2.95Å; L56-Q58 PolarHBondContact O-N 3.21Å
59	L	88.2	Confident	92.5	Very high	66 Å²	66	44.8 Å²	44.8	35%	0.346	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	3.8	173.8	-55	177.7	0	0	0	112.4	L56 N57 L61	L56-L59 CarbonylContact O-C 3.49Å; L56-L59 WeakPolarHBondContact O-CA 3.29Å; L56-L59 WeakPolarHBondContact O-CB 3.36Å; L56-L59 PolarHBondContact O-N 3.39Å; N57-L59 PolarHBondContact O-N 3.01Å; L59-L61 VanDerWaalsContact C-N 3.26Å; L59-L61 HydrophobicContact CB-CD1 4.21Å; L59-L61 HydrophobicContact CB-CG 4.16Å
60	G	89.9	Confident	92.5	Very high	28 Å²	28	44.6 Å²	44.6	29%	0.289	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	25.3	-172.5	0	0	0	0	0	113.1	L56 N57 F188 Y222	L56-G60 PolarHBondContact O-N 3Å; N57-G60 PolarHBondContact O-N 3.43Å; G60-F188 WeakPolarHBondContact O-CB 3.32Å; G60-F188 PolarHBondContact O-N 2.81Å; G60-Y222 PolarHBondContact O-OH 3.34Å
61	L	94.5	Very high	92.6	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	159.7	178.8	-58.5	178.4	0	0	0	110.2	L56 N57 L59 V185 R186 I198 I200	L56-L61 CarbonylContact C-O 2.99Å; L56-L61 HydrophobicContact CB-CB 4.14Å; L56-L61 WeakPolarHBondContact CB-O 3.4Å; L56-L61 PolarHBondContact O-N 2.99Å; L56-L61 VanDerWaalsContact O-O 3.07Å; N57-L61 VanDerWaalsContact CA-O 3.25Å; N57-L61 WeakPolarHBondContact CA-O 2.83Å; N57-L61 PolarHBondContact N-O 3.35Å; N57-L61 PolarHBondContact OD1-O 3.22Å; L59-L61 VanDerWaalsContact C-N 3.26Å; L59-L61 HydrophobicContact CB-CD1 4.21Å; L59-L61 HydrophobicContact CB-CG 4.16Å; L61-V185 HydrophobicContact CB-CG1 3.91Å; L61-V185 HydrophobicContact CD1-CG1 3.95Å; L61-V185 HydrophobicContact CG-CG1 4.36Å; L61-R186 CarbonylContact C-O 3.55Å; L61-R186 WeakPolarHBondContact CA-O 3.35Å; L61-I198 HydrophobicContact CD2-CD1 3.82Å; L61-I198 HydrophobicContact CD2-CG1 4.19Å; L61-I198 HydrophobicContact CD2-CG2 4.11Å; L61-I200 HydrophobicContact CD1-CD1 4.18Å
62	D	94	Very high	92.6	Very high	26 Å²	26	36.4 Å²	36.4	14%	0.139	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.5	171.4	-160.3	-6.9	0	0	0	109.4	R53 V185 R186 F188	R53-D62 WeakPolarHBondContact CD-OD1 3.35Å; R53-D62 WeakPolarHBondContact CG-OD1 3.42Å; R53-D62 IonicContact CZ-OD1 3.84Å; R53-D62 VanDerWaalsContact CZ-OD1 3.29Å; R53-D62 IonicContact CZ-OD2 3.65Å; R53-D62 IonicContact NE-OD1 3.88Å; R53-D62 PolarHBondContact NE-OD1 2.81Å; R53-D62 IonicContact NH1-OD1 3.66Å; R53-D62 PolarHBondContact NH1-OD1 3.35Å; R53-D62 IonicContact NH1-OD2 2.78Å; R53-D62 PolarHBondContact NH1-OD2 3.21Å; D62-V185 WeakPolarHBondContact O-CA 3.5Å; D62-R186 PolarHBondContact N-O 3.36Å; D62-R186 PolarHBondContact O-N 2.93Å; D62-R186 VanDerWaalsContact O-O 3.14Å; D62-F188 HydrophobicContact CB-CD2 4.13Å
63	F	94.1	Very high	92.7	Very high	9 Å²	9	36.5 Å²	36.5	4%	0.039	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	137.3	172.3	51.4	-110	0	0	0	111.5	L43 A49 R53 L56 E65 S184	L43-F63 HydrophobicContact CB-CE2 4.41Å; L43-F63 HydrophobicContact CD1-CD2 3.25Å; L43-F63 HydrophobicContact CD1-CE2 3.09Å; L43-F63 HydrophobicContact CD1-CG 4.06Å; L43-F63 HydrophobicContact CD1-CZ 3.83Å; L43-F63 HydrophobicContact CG-CE2 4.21Å; A49-F63 HydrophobicContact CB-CZ 4.23Å; R53-F63 HydrophobicContact CB-CD1 4.43Å; R53-F63 HydrophobicContact CB-CE1 3.52Å; R53-F63 HydrophobicContact CB-CZ 3.71Å; R53-F63 HydrophobicContact CG-CE1 4.02Å; R53-F63 HydrophobicContact CG-CZ 4.1Å; L56-F63 HydrophobicContact CD1-CB 4.26Å; L56-F63 HydrophobicContact CD1-CD1 3.78Å; L56-F63 HydrophobicContact CD1-CG 4.49Å; F63-E65 HydrophobicContact CD2-CG 4.34Å; F63-S184 CarbonylContact C-O 3.58Å; F63-S184 VanDerWaalsContact CA-O 3.24Å; F63-S184 WeakPolarHBondContact CA-O 3.42Å
64	R	93.9	Very high	92.9	Very high	48 Å²	48	33 Å²	33	18%	0.181	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.4	164.5	-174.1	-177.3	-72.4	-179.9	-1.7	108.4	D79 S184 R186 D190 S192	R64-D79 VanDerWaalsContact CD-OD1 3.28Å; R64-D79 WeakPolarHBondContact CD-OD1 3.23Å; R64-D79 IonicContact CZ-OD1 2.83Å; R64-D79 IonicContact NE-OD1 3.37Å; R64-D79 IonicContact NH1-OD1 2.88Å; R64-D79 PolarHBondContact NH1-OD1 2.84Å; R64-D79 IonicContact NH1-OD2 2.84Å; R64-S184 PolarHBondContact N-O 3.3Å; R64-S184 PolarHBondContact O-N 2.86Å; R64-R186 HydrophobicContact CB-CG 4.32Å; R64-R186 VanDerWaalsContact NE-CD 3.29Å; R64-R186 VanDerWaalsContact NH2-CD 3.32Å; R64-D190 PolarHBondContact NH2-O 3Å; R64-S192 PolarHBondContact NH1-O 2.96Å; R64-S192 VanDerWaalsContact NH1-O 3.1Å; R64-S192 PolarHBondContact NH2-O 2.81Å
65	E	88.8	Confident	93.1	Very high	58 Å²	58	27.6 Å²	27.6	27%	0.271	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-67.2	143.1	-177.4	-85.1	173	-140.5	0	0	112.7	Y41 L43 R53 F63	Y41-E65 HydrophobicContact CD1-CB 3.86Å; Y41-E65 HydrophobicContact CE1-CB 4.12Å; L43-E65 HydrophobicContact CB-CG 4.1Å; L43-E65 HydrophobicContact CD1-CG 3.23Å; L43-E65 HydrophobicContact CG-CG 3.97Å; R53-E65 IonicContact NH2-OE1 3.87Å; R53-E65 PolarHBondContact NH2-OE1 3.43Å; F63-E65 HydrophobicContact CD2-CG 4.34Å
66	V	92.6	Very high	93.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.			trans	-127.4	155.6	173.4	-53.7	0	0	0	0	109.3	C72 I85 H181 Y182	V66-C72 HydrophobicContact CG2-CB 3.86Å; V66-I85 HydrophobicContact CB-CG2 4.44Å; V66-I85 HydrophobicContact CG1-CG2 3.69Å; V66-H181 PolarHBondContact O-CE1 2.61Å; V66-H181 VanDerWaalsContact O-CE1 3.28Å; V66-Y182 WeakPolarHBondContact CG2-O 3.37Å
67	P	92.1	Very high	93.5	Very high	19 Å²	19	25.6 Å²	25.6	12%	0.123	14%	0.138	C	C	.	.			trans	-57.7	148.9	176.5	-25.8	35.5	0	0	0	113	D69 I85	P67-D69 VanDerWaalsContact C-N 3.31Å; P67-D69 PolarHBondContact O-N 3.17Å; P67-I85 HydrophobicContact CG-CD1 4.24Å
68	S	87.9	Confident	93.8	Very high	36 Å²	36	22.8 Å²	22.8	25%	0.252	12%	0.123	S	C	.	.			trans	-94.4	43.7	179.9	-163.6	0	0	0	0	113.3	G70	S68-G70 PolarHBondContact O-N 2.81Å
69	D	90.6	Very high	94.2	Very high	40 Å²	40	16.7 Å²	16.7	21%	0.214	10%	0.095	C	C	.	.	S	Bend	trans	-97.3	20.2	-170.6	71.9	-19	0	0	0	113.8	P67 N71 G123	P67-D69 VanDerWaalsContact C-N 3.31Å; P67-D69 PolarHBondContact O-N 3.17Å; D69-N71 VanDerWaalsContact CG-ND2 3.3Å; D69-N71 PolarHBondContact O-N 3.35Å; D69-N71 WeakPolarHBondContact OD1-CA 3.4Å; D69-N71 VanDerWaalsContact OD1-CB 3.22Å; D69-N71 WeakPolarHBondContact OD1-CB 3.33Å; D69-N71 PolarHBondContact OD1-N 3.5Å; D69-N71 PolarHBondContact OD1-ND2 2.95Å; D69-N71 PolarHBondContact OD2-ND2 3.1Å; D69-G123 VanDerWaalsContact O-CA 3.28Å; D69-G123 WeakPolarHBondContact O-CA 3.36Å
70	G	92.1	Very high	94.6	Very high	3 Å²	3	13.6 Å²	13.6	3%	0.031	8%	0.079	C	C	.	.	S	Bend	trans	71.8	1.8	-173.3	0	0	0	0	0	114.7	S68 R92 G123 T124	S68-G70 PolarHBondContact O-N 2.81Å; G70-R92 PolarHBondContact O-NH2 3.48Å; G70-G123 WeakPolarHBondContact CA-O 3.28Å; G70-T124 CarbonylContact O-C 3.48Å
71	N	95.8	Very high	95	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.			trans	-97.4	-1.8	168.3	-58.5	-62.1	0	0	0	113.1	C32 D69 L73 F74 S75 R92 G123	C32-N71 PolarHBondContact SG-ND2 2.79Å; D69-N71 VanDerWaalsContact CG-ND2 3.3Å; D69-N71 PolarHBondContact O-N 3.35Å; D69-N71 WeakPolarHBondContact OD1-CA 3.4Å; D69-N71 VanDerWaalsContact OD1-CB 3.22Å; D69-N71 WeakPolarHBondContact OD1-CB 3.33Å; D69-N71 PolarHBondContact OD1-N 3.5Å; D69-N71 PolarHBondContact OD1-ND2 2.95Å; D69-N71 PolarHBondContact OD2-ND2 3.1Å; N71-L73 VanDerWaalsContact C-N 3.27Å; N71-L73 PolarHBondContact O-N 3.27Å; N71-F74 PolarHBondContact O-N 3.44Å; N71-S75 PolarHBondContact O-N 3.01Å; N71-S75 PolarHBondContact O-OG 3.33Å; N71-R92 PolarHBondContact OD1-NH2 3.4Å; N71-G123 PolarHBondContact OD1-N 3.48Å
72	C	96.3	Very high	95.2	Very high	4 Å²	4	17 Å²	17	3%	0.027	9%	0.085	C	C	.	.	H	α-helix	trans	-46.4	-41.8	-171.9	61.3	0	0	0	0	114.6	V66 S76	V66-C72 HydrophobicContact CG2-CB 3.86Å; C72-S76 VanDerWaalsContact O-CB 3.28Å; C72-S76 WeakPolarHBondContact O-CB 3.46Å; C72-S76 PolarHBondContact O-N 3.4Å; C72-S76 PolarHBondContact O-OG 3.16Å
73	L	97.1	Very high	95.3	Very high	3 Å²	3	16 Å²	16	2%	0.016	8%	0.08	C	C	.	.	H	α-helix	trans	-59.8	-53	175.4	176	61	0	0	0	111.8	N71 S76 L77 C130 I131 L174 Y182	N71-L73 VanDerWaalsContact C-N 3.27Å; N71-L73 PolarHBondContact O-N 3.27Å; L73-S76 PolarHBondContact O-N 2.99Å; L73-L77 HydrophobicContact CD1-CD1 3.92Å; L73-L77 HydrophobicContact CD1-CG 4.37Å; L73-L77 HydrophobicContact CG-CD1 4.02Å; L73-L77 WeakPolarHBondContact O-CB 3.32Å; L73-L77 WeakPolarHBondContact O-CG 3.29Å; L73-L77 PolarHBondContact O-N 3.4Å; L73-C130 HydrophobicContact CD2-CB 3.96Å; L73-I131 HydrophobicContact CD1-CD1 4.21Å; L73-I131 HydrophobicContact CD1-CG1 4.01Å; L73-I131 HydrophobicContact CD2-CG1 4.2Å; L73-L174 HydrophobicContact CD1-CD1 3.93Å; L73-Y182 HydrophobicContact CB-CD2 3.8Å; L73-Y182 HydrophobicContact CB-CE2 4.23Å; L73-Y182 HydrophobicContact CB-CG 4.3Å; L73-Y182 HydrophobicContact CD1-CD1 4.07Å; L73-Y182 HydrophobicContact CD1-CD2 4.03Å; L73-Y182 HydrophobicContact CD1-CE1 4.15Å; L73-Y182 HydrophobicContact CD1-CE2 4.12Å; L73-Y182 HydrophobicContact CD1-CG 4Å; L73-Y182 HydrophobicContact CG-CD2 4.45Å
74	F	98.4	Very high	95.4	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-71	-33.5	-177.4	-55.6	-74.6	0	0	0	111.9	N71 S78 H88 V91 R92 A95 C130	N71-F74 PolarHBondContact O-N 3.44Å; F74-S78 WeakPolarHBondContact O-CB 3.26Å; F74-S78 PolarHBondContact O-N 3.21Å; F74-H88 HydrophobicContact CB-CB 4.03Å; F74-H88 WeakPolarHBondContact CB-O 3.22Å; F74-V91 HydrophobicContact CD1-CG1 4.16Å; F74-R92 HydrophobicContact CB-CB 4.44Å; F74-R92 VanDerWaalsContact CD1-CA 3.47Å; F74-R92 HydrophobicContact CD1-CB 3.77Å; F74-R92 HydrophobicContact CD1-CG 4.45Å; F74-R92 HydrophobicContact CD2-CB 4.13Å; F74-R92 HydrophobicContact CD2-CG 4.36Å; F74-R92 VanDerWaalsContact CD2-CZ 3.45Å; F74-R92 VanDerWaalsContact CD2-NH2 3.3Å; F74-R92 HydrophobicContact CE1-CB 3.97Å; F74-R92 HydrophobicContact CE1-CG 4.2Å; F74-R92 HydrophobicContact CE2-CB 4.33Å; F74-R92 HydrophobicContact CE2-CG 4.12Å; F74-R92 VanDerWaalsContact CE2-NH1 3.31Å; F74-R92 VanDerWaalsContact CE2-NH2 3.32Å; F74-R92 HydrophobicContact CG-CB 3.84Å; F74-R92 HydrophobicContact CZ-CB 4.23Å; F74-R92 HydrophobicContact CZ-CG 4.02Å; F74-A95 HydrophobicContact CE1-CB 4.01Å; F74-C130 HydrophobicContact CE1-CB 4.02Å; F74-C130 HydrophobicContact CZ-CB 4.08Å
75	S	98	Very high	95.5	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.028	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-44.3	172.9	-61.4	0	0	0	0	111.4	N71 S78 D79	N71-S75 PolarHBondContact O-N 3.01Å; N71-S75 PolarHBondContact O-OG 3.33Å; S75-S78 WeakPolarHBondContact O-CB 3.44Å; S75-S78 PolarHBondContact O-N 3.34Å; S75-D79 PolarHBondContact O-N 3.23Å
76	S	98.1	Very high	95.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.5	-41.7	177.5	-57.4	0	0	0	0	111.8	C72 L73 S78 D79 Q80 Y182 S183 S184	C72-S76 VanDerWaalsContact O-CB 3.28Å; C72-S76 WeakPolarHBondContact O-CB 3.46Å; C72-S76 PolarHBondContact O-N 3.4Å; C72-S76 PolarHBondContact O-OG 3.16Å; L73-S76 PolarHBondContact O-N 2.99Å; S76-S78 VanDerWaalsContact C-N 3.34Å; S76-D79 PolarHBondContact O-N 3.11Å; S76-Q80 WeakPolarHBondContact O-CG 3.4Å; S76-Q80 PolarHBondContact O-N 2.9Å; S76-Q80 VanDerWaalsContact O-N 3.11Å; S76-Y182 PolarHBondContact OG-O 2.92Å; S76-Y182 VanDerWaalsContact OG-O 3.13Å; S76-S183 VanDerWaalsContact OG-C 3.27Å; S76-S183 VanDerWaalsContact OG-CA 3.3Å; S76-S183 WeakPolarHBondContact OG-CA 3.39Å; S76-S184 PolarHBondContact OG-N 2.89Å
77	L	98.4	Very high	96.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.4	-39.1	173.8	-73.3	166.9	0	0	0	112.2	L73 D79 Q80 L81 V91 I134 I142 L172 L174	L73-L77 HydrophobicContact CD1-CD1 3.92Å; L73-L77 HydrophobicContact CD1-CG 4.37Å; L73-L77 HydrophobicContact CG-CD1 4.02Å; L73-L77 WeakPolarHBondContact O-CB 3.32Å; L73-L77 WeakPolarHBondContact O-CG 3.29Å; L73-L77 PolarHBondContact O-N 3.4Å; L77-D79 VanDerWaalsContact C-N 3.34Å; L77-Q80 PolarHBondContact O-N 3Å; L77-L81 WeakPolarHBondContact O-CB 3.33Å; L77-L81 WeakPolarHBondContact O-CG 3.18Å; L77-L81 PolarHBondContact O-N 3.49Å; L77-V91 HydrophobicContact CB-CG1 3.97Å; L77-V91 HydrophobicContact CD1-CG1 4.34Å; L77-I134 HydrophobicContact CD1-CB 4.41Å; L77-I134 HydrophobicContact CD1-CG1 4.19Å; L77-I134 HydrophobicContact CD1-CG2 4.14Å; L77-I134 HydrophobicContact CD2-CG2 4.2Å; L77-I142 HydrophobicContact CD2-CD1 3.95Å; L77-L172 HydrophobicContact CD2-CD1 3.91Å; L77-L174 HydrophobicContact CD2-CD1 3.97Å; L77-L174 HydrophobicContact CD2-CD2 4.36Å; L77-L174 HydrophobicContact CG-CD1 4.2Å
78	S	98.5	Very high	96.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.5	-43.8	174.4	-179	0	0	0	0	111.3	F74 S75 S76 Q80 L81 Y82 T84 N87 H88	F74-S78 WeakPolarHBondContact O-CB 3.26Å; F74-S78 PolarHBondContact O-N 3.21Å; S75-S78 WeakPolarHBondContact O-CB 3.44Å; S75-S78 PolarHBondContact O-N 3.34Å; S76-S78 VanDerWaalsContact C-N 3.34Å; S78-Q80 VanDerWaalsContact C-N 3.34Å; S78-Q80 PolarHBondContact O-N 3.07Å; S78-L81 PolarHBondContact O-N 3.45Å; S78-Y82 WeakPolarHBondContact O-CA 3.25Å; S78-Y82 WeakPolarHBondContact O-CB 3.32Å; S78-Y82 PolarHBondContact O-N 3.27Å; S78-T84 CarbonylContact C-O 3.57Å; S78-T84 WeakPolarHBondContact CB-O 3.38Å; S78-T84 VanDerWaalsContact O-O 3.05Å; S78-T84 PolarHBondContact OG-O 3.38Å; S78-N87 WeakPolarHBondContact OG-CA 3.38Å; S78-N87 VanDerWaalsContact OG-CB 3.31Å; S78-N87 WeakPolarHBondContact OG-CB 3.46Å; S78-N87 PolarHBondContact OG-N 2.92Å; S78-N87 VanDerWaalsContact OG-N 3.09Å; S78-H88 PolarHBondContact OG-N 2.95Å
79	D	98.3	Very high	96.8	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.011	12%	0.12	C	C	.	.	H	α-helix	trans	-62.3	-40.7	176.5	-177.5	81.7	0	0	0	112.3	R64 S75 S76 L77 G83 T84 I85 S184 R186	R64-D79 VanDerWaalsContact CD-OD1 3.28Å; R64-D79 WeakPolarHBondContact CD-OD1 3.23Å; R64-D79 IonicContact CZ-OD1 2.83Å; R64-D79 IonicContact NE-OD1 3.37Å; R64-D79 IonicContact NH1-OD1 2.88Å; R64-D79 PolarHBondContact NH1-OD1 2.84Å; R64-D79 IonicContact NH1-OD2 2.84Å; S75-D79 PolarHBondContact O-N 3.23Å; S76-D79 PolarHBondContact O-N 3.11Å; L77-D79 VanDerWaalsContact C-N 3.34Å; D79-G83 WeakPolarHBondContact O-CA 3.24Å; D79-G83 PolarHBondContact O-N 3.22Å; D79-T84 WeakPolarHBondContact CA-O 3.4Å; D79-T84 PolarHBondContact N-O 3.34Å; D79-T84 VanDerWaalsContact N-O 3.16Å; D79-I85 HydrophobicContact CB-CG2 4.08Å; D79-S184 VanDerWaalsContact OD2-CB 3.3Å; D79-S184 WeakPolarHBondContact OD2-CB 3.5Å; D79-S184 PolarHBondContact OD2-OG 3Å; D79-R186 PolarHBondContact O-NH1 3.04Å; D79-R186 VanDerWaalsContact O-NH1 3.13Å; D79-R186 IonicContact OD1-NH1 2.82Å; D79-R186 WeakPolarHBondContact OD2-CD 3.41Å; D79-R186 IonicContact OD2-CZ 3.83Å; D79-R186 IonicContact OD2-NH1 2.77Å; D79-R186 PolarHBondContact OD2-NH1 3.19Å
80	Q	98.2	Very high	97.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-65.6	-45	176.7	-67	-74.7	-64	0	0	112.1	S76 L77 S78 L172 H173 L174 S184 V185 P195 T196	S76-Q80 WeakPolarHBondContact O-CG 3.4Å; S76-Q80 PolarHBondContact O-N 2.9Å; S76-Q80 VanDerWaalsContact O-N 3.11Å; L77-Q80 PolarHBondContact O-N 3Å; S78-Q80 VanDerWaalsContact C-N 3.34Å; S78-Q80 PolarHBondContact O-N 3.07Å; Q80-L172 HydrophobicContact CB-CB 4.05Å; Q80-L172 HydrophobicContact CB-CD1 4.36Å; Q80-L172 HydrophobicContact CB-CD2 3.94Å; Q80-L172 HydrophobicContact CB-CG 4.32Å; Q80-L172 HydrophobicContact CG-CB 4.27Å; Q80-H173 PolarHBondContact NE2-O 2.86Å; Q80-H173 PolarHBondContact OE1-O 2.83Å; Q80-L174 HydrophobicContact CG-CD2 4.08Å; Q80-S184 PolarHBondContact NE2-OG 3.27Å; Q80-V185 PolarHBondContact NE2-O 3.27Å; Q80-P195 WeakPolarHBondContact O-CA 3.44Å; Q80-T196 WeakPolarHBondContact CA-OG1 3.44Å; Q80-T196 VanDerWaalsContact NE2-CG2 3.31Å; Q80-T196 PolarHBondContact O-N 3.42Å; Q80-T196 PolarHBondContact O-OG1 3.34Å; Q80-T196 VanDerWaalsContact O-OG1 3.1Å; Q80-T196 PolarHBondContact OE1-OG1 3.22Å
81	L	97.9	Very high	97.5	Very high	26 Å²	26	25.2 Å²	25.2	14%	0.136	13%	0.13	C	C	.	.	H	α-helix	trans	-76.9	-36.7	-175.5	-74.3	166.8	0	0	0	113.6	L77 S78 V91 F138 L172 P195	L77-L81 WeakPolarHBondContact O-CB 3.33Å; L77-L81 WeakPolarHBondContact O-CG 3.18Å; L77-L81 PolarHBondContact O-N 3.49Å; S78-L81 PolarHBondContact O-N 3.45Å; L81-V91 HydrophobicContact CD1-CG2 4.35Å; L81-F138 HydrophobicContact CD1-CD2 3.82Å; L81-F138 HydrophobicContact CD1-CE1 4.36Å; L81-F138 HydrophobicContact CD1-CE2 3.64Å; L81-F138 HydrophobicContact CD1-CG 4.26Å; L81-F138 HydrophobicContact CD1-CZ 3.93Å; L81-F138 HydrophobicContact CD2-CB 4.34Å; L81-F138 HydrophobicContact CD2-CD1 4.14Å; L81-F138 HydrophobicContact CD2-CD2 4.39Å; L81-F138 HydrophobicContact CD2-CG 4.04Å; L81-L172 HydrophobicContact CD1-CD1 4.39Å; L81-L172 HydrophobicContact CD2-CD1 3.86Å; L81-L172 HydrophobicContact CD2-CD2 4.13Å; L81-L172 HydrophobicContact CG-CD1 3.85Å; L81-L172 HydrophobicContact CG-CD2 4.47Å; L81-P195 WeakPolarHBondContact O-CB 3.35Å; L81-P195 VanDerWaalsContact O-CG 3.27Å; L81-P195 WeakPolarHBondContact O-CG 3.33Å
82	Y	97.3	Very high	97.6	Very high	78 Å²	78	25.5 Å²	25.5	31%	0.306	13%	0.131	S	C	.	.	H	α-helix	trans	-125.1	-6	-167.9	-53.1	-64.3	0	0	0	113.7	S78 T84 N87 V91 F138	S78-Y82 WeakPolarHBondContact O-CA 3.25Å; S78-Y82 WeakPolarHBondContact O-CB 3.32Å; S78-Y82 PolarHBondContact O-N 3.27Å; Y82-T84 PolarHBondContact O-N 2.94Å; Y82-N87 HydrophobicContact CD2-CB 3.68Å; Y82-N87 HydrophobicContact CE2-CB 3.94Å; Y82-N87 HydrophobicContact CG-CB 4.46Å; Y82-V91 HydrophobicContact CD2-CG2 4.49Å; Y82-V91 HydrophobicContact CE2-CG2 3.78Å; Y82-F138 WeakPolarHBondContact OH-CE1 3.45Å; Y82-F138 WeakPolarHBondContact OH-CZ 3.41Å
83	G	96.6	Very high	97.7	Very high	4 Å²	4	30.6 Å²	30.6	4%	0.041	15%	0.154	C	C	.	.	S	Bend	trans	76.2	7.1	-175.4	0	0	0	0	0	114.7	D79 S193 N194	D79-G83 WeakPolarHBondContact O-CA 3.24Å; D79-G83 PolarHBondContact O-N 3.22Å; G83-S193 WeakPolarHBondContact O-CA 3.34Å; G83-N194 VanDerWaalsContact CA-C 3.47Å; G83-N194 WeakPolarHBondContact CA-O 3.47Å
84	T	96.6	Very high	97.8	Very high	45 Å²	45	31.7 Å²	31.7	28%	0.276	16%	0.159	S	C	.	.	S	Bend	trans	-146.4	146.7	-179	176.9	0	0	0	0	111.2	S78 D79 Y82 T86	S78-T84 CarbonylContact C-O 3.57Å; S78-T84 WeakPolarHBondContact CB-O 3.38Å; S78-T84 VanDerWaalsContact O-O 3.05Å; S78-T84 PolarHBondContact OG-O 3.38Å; D79-T84 WeakPolarHBondContact CA-O 3.4Å; D79-T84 PolarHBondContact N-O 3.34Å; D79-T84 VanDerWaalsContact N-O 3.16Å; Y82-T84 PolarHBondContact O-N 2.94Å; T84-T86 VanDerWaalsContact C-N 3.25Å; T84-T86 VanDerWaalsContact CG2-OG1 3.22Å; T84-T86 WeakPolarHBondContact CG2-OG1 3.41Å; T84-T86 PolarHBondContact O-N 2.83Å; T84-T86 WeakPolarHBondContact OG1-CG2 3.35Å; T84-T86 PolarHBondContact OG1-N 3.43Å; T84-T86 PolarHBondContact OG1-OG1 3.33Å
85	I	96.7	Very high	97.8	Very high	51 Å²	51	31.7 Å²	31.7	26%	0.262	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-76.6	-11	176.1	63.8	170.4	0	0	0	113.4	V66 P67 D79 N87 H88	V66-I85 HydrophobicContact CB-CG2 4.44Å; V66-I85 HydrophobicContact CG1-CG2 3.69Å; P67-I85 HydrophobicContact CG-CD1 4.24Å; D79-I85 HydrophobicContact CB-CG2 4.08Å; I85-N87 VanDerWaalsContact C-N 3.26Å; I85-N87 PolarHBondContact O-N 2.95Å; I85-H88 WeakPolarHBondContact O-CB 3.28Å; I85-H88 PolarHBondContact O-CD2 3.31Å; I85-H88 PolarHBondContact O-N 3.17Å
86	T	96.4	Very high	97.8	Very high	98 Å²	98	31.8 Å²	31.8	60%	0.601	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-67	-22.7	-168.3	50.5	0	0	0	0	114.5	T84 H88	T84-T86 VanDerWaalsContact C-N 3.25Å; T84-T86 VanDerWaalsContact CG2-OG1 3.22Å; T84-T86 WeakPolarHBondContact CG2-OG1 3.41Å; T84-T86 PolarHBondContact O-N 2.83Å; T84-T86 WeakPolarHBondContact OG1-CG2 3.35Å; T84-T86 PolarHBondContact OG1-N 3.43Å; T84-T86 PolarHBondContact OG1-OG1 3.33Å; T86-H88 VanDerWaalsContact C-N 3.29Å; T86-H88 PolarHBondContact O-N 3.35Å
87	N	97.6	Very high	97.8	Very high	54 Å²	54	35.3 Å²	35.3	29%	0.289	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-90.8	11.9	-176.9	-62.7	69	0	0	0	112.7	S78 Y82 I85 K89 E90 V91	S78-N87 WeakPolarHBondContact OG-CA 3.38Å; S78-N87 VanDerWaalsContact OG-CB 3.31Å; S78-N87 WeakPolarHBondContact OG-CB 3.46Å; S78-N87 PolarHBondContact OG-N 2.92Å; S78-N87 VanDerWaalsContact OG-N 3.09Å; Y82-N87 HydrophobicContact CD2-CB 3.68Å; Y82-N87 HydrophobicContact CE2-CB 3.94Å; Y82-N87 HydrophobicContact CG-CB 4.46Å; I85-N87 VanDerWaalsContact C-N 3.26Å; I85-N87 PolarHBondContact O-N 2.95Å; N87-K89 PolarHBondContact O-N 3.44Å; N87-E90 PolarHBondContact O-N 3.35Å; N87-V91 PolarHBondContact O-N 3.25Å
88	H	97.4	Very high	97.7	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.046	18%	0.182	C	C	.	.	H	α-helix	trans	-52.4	-31.9	-179.9	75.3	96.1	0	0	0	114.1	F74 S78 I85 T86 R92	F74-H88 HydrophobicContact CB-CB 4.03Å; F74-H88 WeakPolarHBondContact CB-O 3.22Å; S78-H88 PolarHBondContact OG-N 2.95Å; I85-H88 WeakPolarHBondContact O-CB 3.28Å; I85-H88 PolarHBondContact O-CD2 3.31Å; I85-H88 PolarHBondContact O-N 3.17Å; T86-H88 VanDerWaalsContact C-N 3.29Å; T86-H88 PolarHBondContact O-N 3.35Å; H88-R92 WeakPolarHBondContact O-CB 3.48Å; H88-R92 PolarHBondContact O-N 3.07Å
89	K	97.7	Very high	97.6	Very high	52 Å²	52	36.4 Å²	36.4	23%	0.226	18%	0.182	C	C	.	.	H	α-helix	trans	-66.1	-45.4	177.2	-61.3	-171.1	174.6	-150.4	0	112.1	Q25 S29 N87 R92 E93 L122	Q25-K89 PolarHBondContact O-NZ 3.5Å; S29-K89 VanDerWaalsContact CB-NZ 3.25Å; S29-K89 WeakPolarHBondContact OG-CE 3.34Å; S29-K89 PolarHBondContact OG-NZ 3.45Å; N87-K89 PolarHBondContact O-N 3.44Å; K89-R92 WeakPolarHBondContact O-CB 3.5Å; K89-R92 PolarHBondContact O-N 3.41Å; K89-E93 WeakPolarHBondContact O-CB 3.3Å; K89-E93 PolarHBondContact O-N 3.26Å; K89-L122 HydrophobicContact CD-CD1 4.17Å; K89-L122 HydrophobicContact CD-CD2 4.48Å; K89-L122 HydrophobicContact CG-CD1 4.49Å; K89-L122 HydrophobicContact CG-CD2 3.97Å; K89-L122 VanDerWaalsContact NZ-CD1 3.29Å
90	E	98.2	Very high	97.5	Very high	96 Å²	96	40.4 Å²	40.4	45%	0.449	20%	0.201	S	C	.	.	H	α-helix	trans	-68.1	-43.1	178.6	-179.9	148.1	-173.4	0	0	110.6	N87 R92 E93 Q94	N87-E90 PolarHBondContact O-N 3.35Å; E90-R92 VanDerWaalsContact C-N 3.3Å; E90-R92 PolarHBondContact O-N 2.97Å; E90-E93 WeakPolarHBondContact O-CB 3.35Å; E90-E93 PolarHBondContact O-N 3.14Å; E90-E93 VanDerWaalsContact O-N 3.12Å; E90-Q94 WeakPolarHBondContact O-CG 3.5Å; E90-Q94 PolarHBondContact O-N 2.9Å
91	V	98.5	Very high	97.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.9	-46.1	173.6	-177.1	0	0	0	0	110.7	F74 L77 L81 Y82 N87 E93 Q94 A95 I134	F74-V91 HydrophobicContact CD1-CG1 4.16Å; L77-V91 HydrophobicContact CB-CG1 3.97Å; L77-V91 HydrophobicContact CD1-CG1 4.34Å; L81-V91 HydrophobicContact CD1-CG2 4.35Å; Y82-V91 HydrophobicContact CD2-CG2 4.49Å; Y82-V91 HydrophobicContact CE2-CG2 3.78Å; N87-V91 PolarHBondContact O-N 3.25Å; V91-E93 PolarHBondContact O-N 3.48Å; V91-Q94 PolarHBondContact O-N 2.91Å; V91-A95 PolarHBondContact O-N 3.12Å; V91-I134 HydrophobicContact CG1-CD1 3.72Å; V91-I134 HydrophobicContact CG1-CG1 4.16Å; V91-I134 WeakPolarHBondContact O-CD1 3.5Å
92	R	98.5	Very high	97.3	Very high	6 Å²	6	48.6 Å²	48.6	2%	0.023	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-45.7	175.4	178.2	-173.3	-71.3	-82.6	1.2	112.1	G70 N71 F74 H88 K89 E90 Q94 A95 V96 L119 T124	G70-R92 PolarHBondContact O-NH2 3.48Å; N71-R92 PolarHBondContact OD1-NH2 3.4Å; F74-R92 HydrophobicContact CB-CB 4.44Å; F74-R92 VanDerWaalsContact CD1-CA 3.47Å; F74-R92 HydrophobicContact CD1-CB 3.77Å; F74-R92 HydrophobicContact CD1-CG 4.45Å; F74-R92 HydrophobicContact CD2-CB 4.13Å; F74-R92 HydrophobicContact CD2-CG 4.36Å; F74-R92 VanDerWaalsContact CD2-CZ 3.45Å; F74-R92 VanDerWaalsContact CD2-NH2 3.3Å; F74-R92 HydrophobicContact CE1-CB 3.97Å; F74-R92 HydrophobicContact CE1-CG 4.2Å; F74-R92 HydrophobicContact CE2-CB 4.33Å; F74-R92 HydrophobicContact CE2-CG 4.12Å; F74-R92 VanDerWaalsContact CE2-NH1 3.31Å; F74-R92 VanDerWaalsContact CE2-NH2 3.32Å; F74-R92 HydrophobicContact CG-CB 3.84Å; F74-R92 HydrophobicContact CZ-CB 4.23Å; F74-R92 HydrophobicContact CZ-CG 4.02Å; H88-R92 WeakPolarHBondContact O-CB 3.48Å; H88-R92 PolarHBondContact O-N 3.07Å; K89-R92 WeakPolarHBondContact O-CB 3.5Å; K89-R92 PolarHBondContact O-N 3.41Å; E90-R92 VanDerWaalsContact C-N 3.3Å; E90-R92 PolarHBondContact O-N 2.97Å; R92-Q94 VanDerWaalsContact C-N 3.34Å; R92-Q94 PolarHBondContact O-N 3.32Å; R92-A95 WeakPolarHBondContact O-CB 3.5Å; R92-A95 PolarHBondContact O-N 2.87Å; R92-V96 WeakPolarHBondContact O-CG2 3.25Å; R92-V96 PolarHBondContact O-N 3.46Å; R92-L119 WeakPolarHBondContact CD-O 3.15Å; R92-L119 PolarHBondContact NH1-O 2.96Å; R92-T124 VanDerWaalsContact CZ-O 3.28Å; R92-T124 PolarHBondContact NH1-O 3.05Å; R92-T124 PolarHBondContact NH2-O 3.31Å
93	E	98.3	Very high	97.2	Very high	112 Å²	112	49.9 Å²	49.9	52%	0.523	24%	0.243	S	C	.	.	H	α-helix	trans	-60.2	-44.4	178.7	-176.7	169.1	-157.9	0	0	111.5	K89 E90 V91 A95 V96 L97	K89-E93 WeakPolarHBondContact O-CB 3.3Å; K89-E93 PolarHBondContact O-N 3.26Å; E90-E93 WeakPolarHBondContact O-CB 3.35Å; E90-E93 PolarHBondContact O-N 3.14Å; E90-E93 VanDerWaalsContact O-N 3.12Å; V91-E93 PolarHBondContact O-N 3.48Å; E93-A95 VanDerWaalsContact C-N 3.34Å; E93-A95 PolarHBondContact O-N 3.39Å; E93-V96 PolarHBondContact O-N 3.03Å; E93-L97 HydrophobicContact CG-CD1 3.9Å; E93-L97 HydrophobicContact CG-CG 4.27Å; E93-L97 WeakPolarHBondContact O-CB 3.42Å; E93-L97 WeakPolarHBondContact O-CG 3.26Å; E93-L97 PolarHBondContact O-N 3.3Å
94	Q	98.5	Very high	97	Very high	26 Å²	26	55.2 Å²	55.2	12%	0.121	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-39.1	176.7	-61	-48.9	-29.1	0	0	112.4	E90 V91 R92 Y98 I134 Y137	E90-Q94 WeakPolarHBondContact O-CG 3.5Å; E90-Q94 PolarHBondContact O-N 2.9Å; V91-Q94 PolarHBondContact O-N 2.91Å; R92-Q94 VanDerWaalsContact C-N 3.34Å; R92-Q94 PolarHBondContact O-N 3.32Å; Q94-Y98 VanDerWaalsContact O-CB 3.25Å; Q94-Y98 WeakPolarHBondContact O-CB 3.36Å; Q94-Y98 PolarHBondContact O-N 3.47Å; Q94-I134 HydrophobicContact CB-CD1 4.38Å; Q94-Y137 HydrophobicContact CB-CD1 4.07Å; Q94-Y137 HydrophobicContact CB-CD2 4.49Å; Q94-Y137 HydrophobicContact CB-CE1 3.99Å; Q94-Y137 HydrophobicContact CB-CE2 4.39Å; Q94-Y137 HydrophobicContact CB-CG 4.33Å; Q94-Y137 VanDerWaalsContact CD-OH 3.24Å; Q94-Y137 HydrophobicContact CG-CD1 4.32Å; Q94-Y137 HydrophobicContact CG-CE1 3.74Å; Q94-Y137 HydrophobicContact CG-CE2 4.42Å; Q94-Y137 VanDerWaalsContact OE1-CE2 3.23Å; Q94-Y137 PolarHBondContact OE1-OH 3.48Å
95	A	97.9	Very high	96.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-47.9	174.1	0	0	0	0	0	111.8	F74 V91 R92 E93 Y98 I99 C130 A133 I134	F74-A95 HydrophobicContact CE1-CB 4.01Å; V91-A95 PolarHBondContact O-N 3.12Å; R92-A95 WeakPolarHBondContact O-CB 3.5Å; R92-A95 PolarHBondContact O-N 2.87Å; E93-A95 VanDerWaalsContact C-N 3.34Å; E93-A95 PolarHBondContact O-N 3.39Å; A95-Y98 PolarHBondContact O-N 3.27Å; A95-I99 VanDerWaalsContact O-CG1 3.29Å; A95-I99 WeakPolarHBondContact O-CG1 3.23Å; A95-I99 PolarHBondContact O-N 2.85Å; A95-C130 HydrophobicContact CB-CB 4.32Å; A95-A133 HydrophobicContact CB-CB 4.29Å; A95-I134 HydrophobicContact CB-CD1 3.8Å; A95-I134 HydrophobicContact CB-CG1 3.98Å
96	V	97.9	Very high	96.3	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-49.6	179.3	167.3	0	0	0	0	110.8	R92 E93 Y98 I99 E100 L116 L119 R120	R92-V96 WeakPolarHBondContact O-CG2 3.25Å; R92-V96 PolarHBondContact O-N 3.46Å; E93-V96 PolarHBondContact O-N 3.03Å; V96-Y98 VanDerWaalsContact C-N 3.31Å; V96-Y98 PolarHBondContact O-N 3.11Å; V96-I99 PolarHBondContact O-N 3.48Å; V96-E100 WeakPolarHBondContact O-CB 3.4Å; V96-E100 PolarHBondContact O-N 2.88Å; V96-L116 HydrophobicContact CB-CD2 4.4Å; V96-L116 HydrophobicContact CG1-CD2 3.95Å; V96-L116 WeakPolarHBondContact O-CD2 3.21Å; V96-L119 HydrophobicContact CG2-CB 3.9Å; V96-R120 HydrophobicContact CG1-CG 3.68Å; V96-R120 HydrophobicContact CG2-CG 4.4Å
97	L	98.1	Very high	96	Very high	73 Å²	73	55.1 Å²	55.1	38%	0.382	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-39.1	179.8	-70.8	174.7	0	0	0	111.8	E93 E100 K101	E93-L97 HydrophobicContact CG-CD1 3.9Å; E93-L97 HydrophobicContact CG-CG 4.27Å; E93-L97 WeakPolarHBondContact O-CB 3.42Å; E93-L97 WeakPolarHBondContact O-CG 3.26Å; E93-L97 PolarHBondContact O-N 3.3Å; L97-E100 PolarHBondContact O-N 3.21Å; L97-K101 VanDerWaalsContact O-CB 3.32Å; L97-K101 WeakPolarHBondContact O-CB 3.38Å; L97-K101 PolarHBondContact O-N 3.15Å
98	Y	97.5	Very high	95.5	Very high	23 Å²	23	54.9 Å²	54.9	9%	0.09	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-47.5	177.2	-172.8	-80.7	0	0	0	111.6	Q94 A95 V96 E100 K101 H102 F106 A133 R136 Y137	Q94-Y98 VanDerWaalsContact O-CB 3.25Å; Q94-Y98 WeakPolarHBondContact O-CB 3.36Å; Q94-Y98 PolarHBondContact O-N 3.47Å; A95-Y98 PolarHBondContact O-N 3.27Å; V96-Y98 VanDerWaalsContact C-N 3.31Å; V96-Y98 PolarHBondContact O-N 3.11Å; Y98-E100 VanDerWaalsContact C-N 3.33Å; Y98-E100 PolarHBondContact O-N 2.8Å; Y98-K101 PolarHBondContact O-N 3.45Å; Y98-H102 AromaticContact CD1-ND1 3.75Å; Y98-H102 AromaticContact CD2-CE1 3.7Å; Y98-H102 AromaticContact CD2-ND1 3.8Å; Y98-H102 HydrophobicContact CE1-CB 4.33Å; Y98-H102 AromaticContact CE1-ND1 3.61Å; Y98-H102 AromaticContact CE2-CE1 3.4Å; Y98-H102 WeakPolarHBondContact CE2-CE1 3.4Å; Y98-H102 AromaticContact CE2-ND1 3.67Å; Y98-H102 AromaticContact CG-ND1 3.83Å; Y98-H102 AromaticContact CZ-CE1 3.63Å; Y98-H102 AromaticContact CZ-ND1 3.55Å; Y98-H102 PolarHBondContact O-N 2.94Å; Y98-H102 PolarHBondContact O-ND1 3.13Å; Y98-F106 HydrophobicContact CD1-CE2 4.4Å; Y98-F106 HydrophobicContact CD1-CZ 4.38Å; Y98-F106 HydrophobicContact CE1-CE2 4.38Å; Y98-F106 HydrophobicContact CE1-CZ 4.35Å; Y98-A133 HydrophobicContact CD1-CB 3.74Å; Y98-A133 HydrophobicContact CG-CB 4.17Å; Y98-R136 HydrophobicContact CE1-CB 4.11Å; Y98-R136 HydrophobicContact CE2-CB 3.88Å; Y98-R136 WeakPolarHBondContact OH-CB 3.33Å; Y98-R136 WeakPolarHBondContact OH-CD 3.48Å; Y98-Y137 HydrophobicContact CD2-CD2 4.32Å
99	I	96	Very high	95	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-40.7	178	-66.1	166.2	0	0	0	110.7	A95 V96 H102 K103 F106 V112 L116 L119 E129 A133	A95-I99 VanDerWaalsContact O-CG1 3.29Å; A95-I99 WeakPolarHBondContact O-CG1 3.23Å; A95-I99 PolarHBondContact O-N 2.85Å; V96-I99 PolarHBondContact O-N 3.48Å; I99-H102 CarbonylContact O-C 3.5Å; I99-H102 PolarHBondContact O-N 3.19Å; I99-K103 VanDerWaalsContact O-CA 3.26Å; I99-K103 WeakPolarHBondContact O-CA 3.49Å; I99-K103 PolarHBondContact O-N 3.46Å; I99-F106 HydrophobicContact CB-CD2 4.36Å; I99-F106 HydrophobicContact CB-CE2 4.25Å; I99-F106 HydrophobicContact CG1-CD2 4.41Å; I99-F106 HydrophobicContact CG1-CE1 4.15Å; I99-F106 HydrophobicContact CG1-CE2 4.01Å; I99-F106 HydrophobicContact CG1-CZ 3.86Å; I99-F106 HydrophobicContact CG2-CD2 3.95Å; I99-F106 HydrophobicContact CG2-CE2 4.34Å; I99-F106 HydrophobicContact CG2-CG 4.12Å; I99-V112 HydrophobicContact CG2-CG1 4.01Å; I99-L116 HydrophobicContact CB-CD2 3.88Å; I99-L116 HydrophobicContact CG2-CD2 3.74Å; I99-L116 HydrophobicContact CG2-CG 4.21Å; I99-L119 HydrophobicContact CD1-CD1 4.19Å; I99-E129 HydrophobicContact CD1-CB 4.28Å; I99-E129 HydrophobicContact CD1-CG 3.94Å; I99-A133 HydrophobicContact CD1-CB 4.14Å; I99-A133 HydrophobicContact CG1-CB 3.75Å
100	E	96.9	Very high	94.5	Very high	86 Å²	86	57.1 Å²	57.1	40%	0.402	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-43.4	176.9	-177	164.3	-136.5	0	0	112.2	V96 L97 Y98 L116 R120	V96-E100 WeakPolarHBondContact O-CB 3.4Å; V96-E100 PolarHBondContact O-N 2.88Å; L97-E100 PolarHBondContact O-N 3.21Å; Y98-E100 VanDerWaalsContact C-N 3.33Å; Y98-E100 PolarHBondContact O-N 2.8Å; E100-L116 HydrophobicContact CB-CD1 3.75Å; E100-L116 HydrophobicContact CG-CD1 4.18Å; E100-R120 IonicContact OE1-NH2 2.9Å; E100-R120 PolarHBondContact OE1-NH2 3.47Å; E100-R120 IonicContact OE2-CZ 3.88Å; E100-R120 IonicContact OE2-NH2 2.79Å; E100-R120 PolarHBondContact OE2-NH2 3.3Å
101	K	96.9	Very high	94.2	Very high	159 Å²	159	57.2 Å²	57.2	69%	0.691	28%	0.275	S	S	*	.	H	α-helix	trans	-69.7	-34.1	-179.8	-177.2	177.1	175.5	-174.3	0	113.3	L97 Y98	L97-K101 VanDerWaalsContact O-CB 3.32Å; L97-K101 WeakPolarHBondContact O-CB 3.38Å; L97-K101 PolarHBondContact O-N 3.15Å; Y98-K101 PolarHBondContact O-N 3.45Å
102	H	94.7	Very high	93.9	Very high	40 Å²	40	57.7 Å²	57.7	19%	0.185	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	34.5	-176	-51.4	87.9	0	0	0	111.7	Y98 I99 E104 E105 F106	Y98-H102 AromaticContact CD1-ND1 3.75Å; Y98-H102 AromaticContact CD2-CE1 3.7Å; Y98-H102 AromaticContact CD2-ND1 3.8Å; Y98-H102 HydrophobicContact CE1-CB 4.33Å; Y98-H102 AromaticContact CE1-ND1 3.61Å; Y98-H102 AromaticContact CE2-CE1 3.4Å; Y98-H102 WeakPolarHBondContact CE2-CE1 3.4Å; Y98-H102 AromaticContact CE2-ND1 3.67Å; Y98-H102 AromaticContact CG-ND1 3.83Å; Y98-H102 AromaticContact CZ-CE1 3.63Å; Y98-H102 AromaticContact CZ-ND1 3.55Å; Y98-H102 PolarHBondContact O-N 2.94Å; Y98-H102 PolarHBondContact O-ND1 3.13Å; I99-H102 CarbonylContact O-C 3.5Å; I99-H102 PolarHBondContact O-N 3.19Å; H102-E104 PolarHBondContact O-N 2.94Å; H102-E104 VanDerWaalsContact O-N 3.07Å; H102-E105 HydrophobicContact CB-CG 4.29Å; H102-E105 IonicContact CD2-OE1 3.8Å; H102-E105 IonicContact CG-OE1 3.98Å; H102-E105 WeakPolarHBondContact O-CB 3.39Å; H102-E105 PolarHBondContact O-N 3.17Å; H102-F106 HydrophobicContact CB-CE2 4.33Å; H102-F106 VanDerWaalsContact O-CD2 3.29Å; H102-F106 WeakPolarHBondContact O-CD2 3.21Å
103	K	94.3	Very high	93.7	Very high	106 Å²	106	64.6 Å²	64.6	46%	0.461	31%	0.307	S	S	.	.	H	α-helix	trans	-51.9	-35.7	-171.3	60.9	-179.3	-176.7	177.3	0	113.5	I99 E105 F106 E107 V112	I99-K103 VanDerWaalsContact O-CA 3.26Å; I99-K103 WeakPolarHBondContact O-CA 3.49Å; I99-K103 PolarHBondContact O-N 3.46Å; K103-E105 PolarHBondContact O-N 3.22Å; K103-E105 VanDerWaalsContact O-N 3.12Å; K103-F106 PolarHBondContact O-N 3.48Å; K103-E107 WeakPolarHBondContact O-CG 3.43Å; K103-E107 PolarHBondContact O-N 2.98Å; K103-V112 HydrophobicContact CB-CB 4.47Å; K103-V112 HydrophobicContact CB-CG1 3.88Å; K103-V112 HydrophobicContact CB-CG2 4.45Å
104	E	92.3	Very high	93.5	Very high	116 Å²	116	63.6 Å²	63.6	54%	0.542	31%	0.306	S	S	.	.	H	α-helix	trans	-57.9	-26.2	178.6	59.8	-79.6	179.4	0	0	113.4	H102 F106	H102-E104 PolarHBondContact O-N 2.94Å; H102-E104 VanDerWaalsContact O-N 3.07Å; E104-F106 VanDerWaalsContact C-N 3.32Å
105	E	89.4	Confident	93.2	Very high	79 Å²	79	65 Å²	65	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-75.6	-23.6	176.2	-58.7	-165.5	-134.8	0	0	112.6	H102 K103 R136	H102-E105 HydrophobicContact CB-CG 4.29Å; H102-E105 IonicContact CD2-OE1 3.8Å; H102-E105 IonicContact CG-OE1 3.98Å; H102-E105 WeakPolarHBondContact O-CB 3.39Å; H102-E105 PolarHBondContact O-N 3.17Å; K103-E105 PolarHBondContact O-N 3.22Å; K103-E105 VanDerWaalsContact O-N 3.12Å; E105-R136 IonicContact OE1-NH1 3.9Å; E105-R136 IonicContact OE2-CZ 3.37Å; E105-R136 IonicContact OE2-NH1 2.61Å; E105-R136 PolarHBondContact OE2-NH1 2.78Å; E105-R136 IonicContact OE2-NH2 3.43Å; E105-R136 PolarHBondContact OE2-NH2 2.85Å
106	F	89.8	Confident	93.1	Very high	9 Å²	9	65.5 Å²	65.5	4%	0.039	31%	0.314	C	S	.	.	H	α-helix	trans	-106.7	-26.2	-172.6	-62.4	-81.8	0	0	0	113.5	Y98 I99 H102 K103 E104 A108 F109 F110 V112 E129 I132	Y98-F106 HydrophobicContact CD1-CE2 4.4Å; Y98-F106 HydrophobicContact CD1-CZ 4.38Å; Y98-F106 HydrophobicContact CE1-CE2 4.38Å; Y98-F106 HydrophobicContact CE1-CZ 4.35Å; I99-F106 HydrophobicContact CB-CD2 4.36Å; I99-F106 HydrophobicContact CB-CE2 4.25Å; I99-F106 HydrophobicContact CG1-CD2 4.41Å; I99-F106 HydrophobicContact CG1-CE1 4.15Å; I99-F106 HydrophobicContact CG1-CE2 4.01Å; I99-F106 HydrophobicContact CG1-CZ 3.86Å; I99-F106 HydrophobicContact CG2-CD2 3.95Å; I99-F106 HydrophobicContact CG2-CE2 4.34Å; I99-F106 HydrophobicContact CG2-CG 4.12Å; H102-F106 HydrophobicContact CB-CE2 4.33Å; H102-F106 VanDerWaalsContact O-CD2 3.29Å; H102-F106 WeakPolarHBondContact O-CD2 3.21Å; K103-F106 PolarHBondContact O-N 3.48Å; E104-F106 VanDerWaalsContact C-N 3.32Å; F106-A108 PolarHBondContact O-N 3.5Å; F106-F109 PolarHBondContact O-N 3.11Å; F106-F110 HydrophobicContact CB-CE1 4.22Å; F106-F110 HydrophobicContact CB-CE2 3.95Å; F106-F110 HydrophobicContact CB-CZ 3.58Å; F106-F110 HydrophobicContact CD1-CE1 4.23Å; F106-F110 AromaticContact CD1-CZ 3.78Å; F106-F110 HydrophobicContact CD1-CZ 3.78Å; F106-F110 HydrophobicContact CG-CZ 4.01Å; F106-F110 PolarHBondContact O-N 3.48Å; F106-V112 HydrophobicContact CB-CG2 3.83Å; F106-E129 HydrophobicContact CD1-CB 4.21Å; F106-E129 HydrophobicContact CE1-CB 4.23Å; F106-I132 HydrophobicContact CE1-CG2 4.38Å; F106-I132 HydrophobicContact CZ-CG2 4.41Å
107	E	89.3	Confident	93	Very high	103 Å²	103	69.5 Å²	69.5	48%	0.481	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.1	-177.3	-82.2	174.7	-173.6	0	0	114.4	K103 F109 V112	K103-E107 WeakPolarHBondContact O-CG 3.43Å; K103-E107 PolarHBondContact O-N 2.98Å; E107-F109 VanDerWaalsContact C-N 3.28Å; E107-F109 PolarHBondContact O-N 3.27Å; E107-V112 HydrophobicContact CB-CG2 4.34Å; E107-V112 HydrophobicContact CG-CB 4.44Å; E107-V112 HydrophobicContact CG-CG2 3.68Å
108	A	87.8	Confident	92.9	Very high	49 Å²	49	72.7 Å²	72.7	41%	0.405	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-24	176.3	0	0	0	0	0	113.6	F106	F106-A108 PolarHBondContact O-N 3.5Å
109	F	86.8	Confident	92.8	Very high	56 Å²	56	71.7 Å²	71.7	25%	0.246	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-34.3	-169.8	-55.8	-77.8	0	0	0	112.8	F106 E107 F259	F106-F109 PolarHBondContact O-N 3.11Å; E107-F109 VanDerWaalsContact C-N 3.28Å; E107-F109 PolarHBondContact O-N 3.27Å; F109-F259 HydrophobicContact CD1-CZ 4.04Å; F109-F259 HydrophobicContact CD2-CE1 4.38Å; F109-F259 AromaticContact CD2-CZ 3.95Å; F109-F259 HydrophobicContact CD2-CZ 3.95Å; F109-F259 HydrophobicContact CE1-CE1 4.11Å; F109-F259 AromaticContact CE1-CE2 3.93Å; F109-F259 HydrophobicContact CE1-CE2 3.93Å; F109-F259 AromaticContact CE1-CZ 3.36Å; F109-F259 HydrophobicContact CE1-CZ 3.36Å; F109-F259 AromaticContact CE2-CE1 3.39Å; F109-F259 HydrophobicContact CE2-CE1 3.39Å; F109-F259 AromaticContact CE2-CZ 3.27Å; F109-F259 HydrophobicContact CE2-CZ 3.27Å; F109-F259 HydrophobicContact CG-CZ 4.31Å; F109-F259 HydrophobicContact CZ-CD1 4.4Å; F109-F259 AromaticContact CZ-CE1 3.25Å; F109-F259 HydrophobicContact CZ-CE1 3.25Å; F109-F259 AromaticContact CZ-CE2 3.91Å; F109-F259 HydrophobicContact CZ-CE2 3.91Å; F109-F259 AromaticContact CZ-CZ 2.95Å; F109-F259 HydrophobicContact CZ-CZ 2.95Å
110	F	87.8	Confident	92.8	Very high	53 Å²	53	77.6 Å²	77.6	23%	0.232	37%	0.365	C	S	.	.	S	Bend	trans	-155.7	166.1	-177.3	50	-96.3	0	0	0	111.8	F106 V112 K115 E129	F106-F110 HydrophobicContact CB-CE1 4.22Å; F106-F110 HydrophobicContact CB-CE2 3.95Å; F106-F110 HydrophobicContact CB-CZ 3.58Å; F106-F110 HydrophobicContact CD1-CE1 4.23Å; F106-F110 AromaticContact CD1-CZ 3.78Å; F106-F110 HydrophobicContact CD1-CZ 3.78Å; F106-F110 HydrophobicContact CG-CZ 4.01Å; F106-F110 PolarHBondContact O-N 3.48Å; F110-V112 HydrophobicContact CD2-CG2 4.17Å; F110-V112 HydrophobicContact CE2-CB 4.49Å; F110-V112 HydrophobicContact CE2-CG2 3.93Å; F110-V112 PolarHBondContact O-N 3.16Å; F110-V112 VanDerWaalsContact O-N 3.15Å; F110-K115 HydrophobicContact CD2-CB 3.69Å; F110-K115 HydrophobicContact CD2-CG 3.86Å; F110-K115 HydrophobicContact CE2-CB 3.96Å; F110-K115 HydrophobicContact CE2-CG 3.83Å; F110-E129 HydrophobicContact CE1-CB 3.74Å; F110-E129 HydrophobicContact CE1-CG 4.22Å; F110-E129 HydrophobicContact CZ-CB 3.7Å; F110-E129 HydrophobicContact CZ-CG 3.97Å
111	D	92.2	Very high	92.8	Very high	99 Å²	99	76.7 Å²	76.7	53%	0.529	37%	0.367	S	S	.	.			trans	-70.3	106.5	167.1	-170.6	-44.4	0	0	0	109.1	K113 D114 K115	D111-K113 VanDerWaalsContact C-N 3.29Å; D111-K113 PolarHBondContact O-N 3.17Å; D111-K113 WeakPolarHBondContact OD1-CB 3.44Å; D111-K113 PolarHBondContact OD1-N 3.49Å; D111-D114 HydrophobicContact CB-CB 4.24Å; D111-D114 PolarHBondContact OD1-N 3.47Å; D111-D114 VanDerWaalsContact OD1-N 3.16Å; D111-K115 VanDerWaalsContact O-CB 3.24Å; D111-K115 WeakPolarHBondContact O-CB 3.44Å; D111-K115 PolarHBondContact O-N 2.97Å
112	V	91.4	Very high	92.7	Very high	10 Å²	10	71.8 Å²	71.8	6%	0.061	35%	0.349	C	S	.	.	H	α-helix	trans	-62.3	-38.2	-175.8	177.1	0	0	0	0	111.3	I99 K103 F106 E107 F110 K115 L116	I99-V112 HydrophobicContact CG2-CG1 4.01Å; K103-V112 HydrophobicContact CB-CB 4.47Å; K103-V112 HydrophobicContact CB-CG1 3.88Å; K103-V112 HydrophobicContact CB-CG2 4.45Å; F106-V112 HydrophobicContact CB-CG2 3.83Å; E107-V112 HydrophobicContact CB-CG2 4.34Å; E107-V112 HydrophobicContact CG-CB 4.44Å; E107-V112 HydrophobicContact CG-CG2 3.68Å; F110-V112 HydrophobicContact CD2-CG2 4.17Å; F110-V112 HydrophobicContact CE2-CB 4.49Å; F110-V112 HydrophobicContact CE2-CG2 3.93Å; F110-V112 PolarHBondContact O-N 3.16Å; F110-V112 VanDerWaalsContact O-N 3.15Å; V112-K115 PolarHBondContact O-N 3.15Å; V112-L116 HydrophobicContact CG1-CD1 3.59Å; V112-L116 HydrophobicContact CG1-CG 4.01Å; V112-L116 VanDerWaalsContact O-CB 3.3Å; V112-L116 WeakPolarHBondContact O-CB 3.32Å; V112-L116 WeakPolarHBondContact O-CG 3.32Å; V112-L116 PolarHBondContact O-N 3.21Å
113	K	93.8	Very high	92.7	Very high	150 Å²	150	71.1 Å²	71.1	65%	0.652	35%	0.352	S	S	*	.	H	α-helix	trans	-67.1	-49.5	-176.2	-174.1	-177.1	177.6	-172.7	0	110.5	D111 K115 L116 N117	D111-K113 VanDerWaalsContact C-N 3.29Å; D111-K113 PolarHBondContact O-N 3.17Å; D111-K113 WeakPolarHBondContact OD1-CB 3.44Å; D111-K113 PolarHBondContact OD1-N 3.49Å; K113-K115 VanDerWaalsContact C-N 3.33Å; K113-K115 PolarHBondContact O-N 2.92Å; K113-L116 PolarHBondContact O-N 3.35Å; K113-N117 PolarHBondContact O-N 3.4Å; K113-N117 PolarHBondContact O-ND2 3.39Å
114	D	94.1	Very high	92.8	Very high	92 Å²	92	67.9 Å²	67.9	49%	0.492	34%	0.342	S	S	.	.	H	α-helix	trans	-65.5	-39.3	179.4	-74.7	-10.2	0	0	0	111.7	D111 N117 K118	D111-D114 HydrophobicContact CB-CB 4.24Å; D111-D114 PolarHBondContact OD1-N 3.47Å; D111-D114 VanDerWaalsContact OD1-N 3.16Å; D114-N117 PolarHBondContact O-N 2.76Å; D114-K118 PolarHBondContact O-N 2.92Å
115	K	93.2	Very high	92.8	Very high	56 Å²	56	67.7 Å²	67.7	24%	0.243	34%	0.337	C	S	.	.	H	α-helix	trans	-64.6	-45.1	176.8	-174.7	63.2	173.7	-179.9	0	111.9	F110 D111 V112 K113 N117 K118 L119 E129	F110-K115 HydrophobicContact CD2-CB 3.69Å; F110-K115 HydrophobicContact CD2-CG 3.86Å; F110-K115 HydrophobicContact CE2-CB 3.96Å; F110-K115 HydrophobicContact CE2-CG 3.83Å; D111-K115 VanDerWaalsContact O-CB 3.24Å; D111-K115 WeakPolarHBondContact O-CB 3.44Å; D111-K115 PolarHBondContact O-N 2.97Å; V112-K115 PolarHBondContact O-N 3.15Å; K113-K115 VanDerWaalsContact C-N 3.33Å; K113-K115 PolarHBondContact O-N 2.92Å; K115-N117 PolarHBondContact O-N 2.79Å; K115-K118 PolarHBondContact O-N 3.34Å; K115-L119 HydrophobicContact CD-CD1 4.34Å; K115-L119 HydrophobicContact CD-CG 4.36Å; K115-L119 HydrophobicContact CG-CD1 3.98Å; K115-L119 HydrophobicContact CG-CG 4.4Å; K115-L119 WeakPolarHBondContact O-CB 3.49Å; K115-L119 WeakPolarHBondContact O-CG 3.35Å; K115-L119 PolarHBondContact O-N 2.95Å; K115-E129 WeakPolarHBondContact CE-OE1 3.43Å; K115-E129 IonicContact NZ-OE1 2.88Å; K115-E129 PolarHBondContact NZ-OE1 2.79Å
116	L	95.4	Very high	93	Very high	10 Å²	10	64.4 Å²	64.4	5%	0.052	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-40.2	177.4	-73.9	174	0	0	0	112.2	V96 I99 E100 V112 K113 K118 L119 R120	V96-L116 HydrophobicContact CB-CD2 4.4Å; V96-L116 HydrophobicContact CG1-CD2 3.95Å; V96-L116 WeakPolarHBondContact O-CD2 3.21Å; I99-L116 HydrophobicContact CB-CD2 3.88Å; I99-L116 HydrophobicContact CG2-CD2 3.74Å; I99-L116 HydrophobicContact CG2-CG 4.21Å; E100-L116 HydrophobicContact CB-CD1 3.75Å; E100-L116 HydrophobicContact CG-CD1 4.18Å; V112-L116 HydrophobicContact CG1-CD1 3.59Å; V112-L116 HydrophobicContact CG1-CG 4.01Å; V112-L116 VanDerWaalsContact O-CB 3.3Å; V112-L116 WeakPolarHBondContact O-CB 3.32Å; V112-L116 WeakPolarHBondContact O-CG 3.32Å; V112-L116 PolarHBondContact O-N 3.21Å; K113-L116 PolarHBondContact O-N 3.35Å; L116-K118 VanDerWaalsContact C-N 3.27Å; L116-K118 PolarHBondContact O-N 2.77Å; L116-L119 PolarHBondContact O-N 3.46Å; L116-R120 VanDerWaalsContact O-CG 3.3Å; L116-R120 WeakPolarHBondContact O-CG 3.32Å; L116-R120 PolarHBondContact O-N 2.63Å
117	N	95.5	Very high	93	Very high	90 Å²	90	64.9 Å²	64.9	48%	0.481	33%	0.331	S	S	.	.	H	α-helix	trans	-58	-41.8	176.6	-72.8	-24.6	0	0	0	111.7	K113 D114 K115	K113-N117 PolarHBondContact O-N 3.4Å; K113-N117 PolarHBondContact O-ND2 3.39Å; D114-N117 PolarHBondContact O-N 2.76Å; K115-N117 PolarHBondContact O-N 2.79Å
118	K	96.1	Very high	93.1	Very high	141 Å²	141	62.3 Å²	62.3	61%	0.613	32%	0.319	S	S	*	.	H	α-helix	trans	-68.9	-52	174.8	-66.6	178.2	-178.5	180	0	111.3	D114 K115 L116 R120 S121 T124	D114-K118 PolarHBondContact O-N 2.92Å; K115-K118 PolarHBondContact O-N 3.34Å; L116-K118 VanDerWaalsContact C-N 3.27Å; L116-K118 PolarHBondContact O-N 2.77Å; K118-R120 PolarHBondContact O-N 3.5Å; K118-R120 VanDerWaalsContact O-N 3.14Å; K118-S121 WeakPolarHBondContact O-CB 3.3Å; K118-S121 PolarHBondContact O-N 3.22Å; K118-T124 HydrophobicContact CB-CG2 4.19Å; K118-T124 PolarHBondContact O-OG1 3.05Å; K118-T124 VanDerWaalsContact O-OG1 3.04Å
119	L	95.6	Very high	93.4	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-27.9	-175.2	-77.5	176.1	0	0	0	114.2	R92 V96 I99 K115 L116 S121 E129	R92-L119 WeakPolarHBondContact CD-O 3.15Å; R92-L119 PolarHBondContact NH1-O 2.96Å; V96-L119 HydrophobicContact CG2-CB 3.9Å; I99-L119 HydrophobicContact CD1-CD1 4.19Å; K115-L119 HydrophobicContact CD-CD1 4.34Å; K115-L119 HydrophobicContact CD-CG 4.36Å; K115-L119 HydrophobicContact CG-CD1 3.98Å; K115-L119 HydrophobicContact CG-CG 4.4Å; K115-L119 WeakPolarHBondContact O-CB 3.49Å; K115-L119 WeakPolarHBondContact O-CG 3.35Å; K115-L119 PolarHBondContact O-N 2.95Å; L116-L119 PolarHBondContact O-N 3.46Å; L119-S121 PolarHBondContact O-N 3.06Å; L119-E129 HydrophobicContact CD1-CG 4.38Å
120	R	96.6	Very high	93.9	Very high	125 Å²	125	58.4 Å²	58.4	47%	0.472	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.1	173.2	-75.7	174.9	-165.4	-109.3	3	113.3	V96 E100 L116 K118	V96-R120 HydrophobicContact CG1-CG 3.68Å; V96-R120 HydrophobicContact CG2-CG 4.4Å; E100-R120 IonicContact OE1-NH2 2.9Å; E100-R120 PolarHBondContact OE1-NH2 3.47Å; E100-R120 IonicContact OE2-CZ 3.88Å; E100-R120 IonicContact OE2-NH2 2.79Å; E100-R120 PolarHBondContact OE2-NH2 3.3Å; L116-R120 VanDerWaalsContact O-CG 3.3Å; L116-R120 WeakPolarHBondContact O-CG 3.32Å; L116-R120 PolarHBondContact O-N 2.63Å; K118-R120 PolarHBondContact O-N 3.5Å; K118-R120 VanDerWaalsContact O-N 3.14Å
121	S	96.2	Very high	94.3	Very high	66 Å²	66	56 Å²	56	46%	0.462	28%	0.283	S	S	.	.	S	Bend	trans	-81.6	125.1	178.6	-57.8	0	0	0	0	110.4	K118 L119 T124	K118-S121 WeakPolarHBondContact O-CB 3.3Å; K118-S121 PolarHBondContact O-N 3.22Å; L119-S121 PolarHBondContact O-N 3.06Å; S121-T124 VanDerWaalsContact O-CB 3.23Å; S121-T124 WeakPolarHBondContact O-CB 3.2Å; S121-T124 PolarHBondContact O-N 3.34Å; S121-T124 PolarHBondContact O-OG1 3.46Å
122	L	95.1	Very high	94.4	Very high	57 Å²	57	52.2 Å²	52.2	30%	0.298	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	147.9	174.5	-62.4	176.5	0	0	0	110.9	K89 T124	K89-L122 HydrophobicContact CD-CD1 4.17Å; K89-L122 HydrophobicContact CD-CD2 4.48Å; K89-L122 HydrophobicContact CG-CD1 4.49Å; K89-L122 HydrophobicContact CG-CD2 3.97Å; K89-L122 VanDerWaalsContact NZ-CD1 3.29Å; L122-T124 PolarHBondContact O-N 3Å
123	G	94.3	Very high	94.6	Very high	25 Å²	25	51.7 Å²	51.7	26%	0.258	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	-2.6	-173.4	0	0	0	0	0	114.7	D69 G70 N71 Y125	D69-G123 VanDerWaalsContact O-CA 3.28Å; D69-G123 WeakPolarHBondContact O-CA 3.36Å; G70-G123 WeakPolarHBondContact CA-O 3.28Å; N71-G123 PolarHBondContact OD1-N 3.48Å; G123-Y125 PolarHBondContact O-N 3.25Å
124	T	95.4	Very high	94.8	Very high	39 Å²	39	44.6 Å²	44.6	24%	0.239	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-76.5	125.3	170.9	-56.4	0	0	0	0	110	G70 R92 K118 S121 L122 G126	G70-T124 CarbonylContact O-C 3.48Å; R92-T124 VanDerWaalsContact CZ-O 3.28Å; R92-T124 PolarHBondContact NH1-O 3.05Å; R92-T124 PolarHBondContact NH2-O 3.31Å; K118-T124 HydrophobicContact CB-CG2 4.19Å; K118-T124 PolarHBondContact O-OG1 3.05Å; K118-T124 VanDerWaalsContact O-OG1 3.04Å; S121-T124 VanDerWaalsContact O-CB 3.23Å; S121-T124 WeakPolarHBondContact O-CB 3.2Å; S121-T124 PolarHBondContact O-N 3.34Å; S121-T124 PolarHBondContact O-OG1 3.46Å; L122-T124 PolarHBondContact O-N 3Å; T124-G126 PolarHBondContact O-N 3.45Å
125	Y	93.6	Very high	94.9	Very high	111 Å²	111	40.2 Å²	40.2	44%	0.435	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-56.6	127.8	175.4	-69.3	-104	0	0	0	111.2	G123 E180	G123-Y125 PolarHBondContact O-N 3.25Å; Y125-E180 HydrophobicContact CE1-CB 4.41Å
126	G	93.2	Very high	95	Very high	10 Å²	10	39.8 Å²	39.8	10%	0.103	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-88.1	143.6	170.2	0	0	0	0	0	110.5	T124	T124-G126 PolarHBondContact O-N 3.45Å
127	G	90.6	Very high	95	Very high	19 Å²	19	44.2 Å²	44.2	20%	0.196	22%	0.219	C	C	.	.			trans	-107.9	-163.5	176.1	0	0	0	0	0	113.2	E129 C130 I131	G127-E129 VanDerWaalsContact C-OE2 3.23Å; G127-E129 WeakPolarHBondContact CA-OE1 3.32Å; G127-E129 VanDerWaalsContact CA-OE2 3.26Å; G127-E129 WeakPolarHBondContact CA-OE2 3.42Å; G127-E129 PolarHBondContact N-OE1 2.86Å; G127-E129 PolarHBondContact O-N 3.13Å; G127-C130 WeakPolarHBondContact O-CB 3.39Å; G127-C130 PolarHBondContact O-N 2.75Å; G127-I131 PolarHBondContact O-N 3.39Å
128	H	91	Very high	95	Very high	49 Å²	49	42.5 Å²	42.5	23%	0.227	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-27.9	179.2	-172.3	-150.8	0	0	0	112.9	C130 I131 I132 A154 F257	H128-C130 VanDerWaalsContact C-N 3.26Å; H128-C130 PolarHBondContact O-N 2.85Å; H128-I131 WeakPolarHBondContact O-CB 3.31Å; H128-I131 PolarHBondContact O-N 3.34Å; H128-I131 VanDerWaalsContact O-N 3.14Å; H128-I132 WeakPolarHBondContact O-CG1 3.45Å; H128-I132 PolarHBondContact O-N 3.05Å; H128-A154 PolarHBondContact NE2-O 2.87Å; H128-F257 AromaticContact CE1-CD2 3.68Å; H128-F257 AromaticContact CE1-CG 3.67Å
129	E	93.5	Very high	94.9	Very high	24 Å²	24	37.6 Å²	37.6	11%	0.112	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-38.3	173.1	71.6	-68.7	167.8	0	0	112.6	I99 F106 F110 K115 L119 G127 A133	I99-E129 HydrophobicContact CD1-CB 4.28Å; I99-E129 HydrophobicContact CD1-CG 3.94Å; F106-E129 HydrophobicContact CD1-CB 4.21Å; F106-E129 HydrophobicContact CE1-CB 4.23Å; F110-E129 HydrophobicContact CE1-CB 3.74Å; F110-E129 HydrophobicContact CE1-CG 4.22Å; F110-E129 HydrophobicContact CZ-CB 3.7Å; F110-E129 HydrophobicContact CZ-CG 3.97Å; K115-E129 WeakPolarHBondContact CE-OE1 3.43Å; K115-E129 IonicContact NZ-OE1 2.88Å; K115-E129 PolarHBondContact NZ-OE1 2.79Å; L119-E129 HydrophobicContact CD1-CG 4.38Å; G127-E129 VanDerWaalsContact C-OE2 3.23Å; G127-E129 WeakPolarHBondContact CA-OE1 3.32Å; G127-E129 VanDerWaalsContact CA-OE2 3.26Å; G127-E129 WeakPolarHBondContact CA-OE2 3.42Å; G127-E129 PolarHBondContact N-OE1 2.86Å; G127-E129 PolarHBondContact O-N 3.13Å; E129-A133 WeakPolarHBondContact O-CB 3.48Å; E129-A133 PolarHBondContact O-N 3.38Å
130	C	96.8	Very high	94.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-71.4	-37.4	177.8	-63.6	0	0	0	0	110.4	L73 F74 A95 G127 H128 A133 I134	L73-C130 HydrophobicContact CD2-CB 3.96Å; F74-C130 HydrophobicContact CE1-CB 4.02Å; F74-C130 HydrophobicContact CZ-CB 4.08Å; A95-C130 HydrophobicContact CB-CB 4.32Å; G127-C130 WeakPolarHBondContact O-CB 3.39Å; G127-C130 PolarHBondContact O-N 2.75Å; H128-C130 VanDerWaalsContact C-N 3.26Å; H128-C130 PolarHBondContact O-N 2.85Å; C130-A133 PolarHBondContact O-N 2.9Å; C130-I134 WeakPolarHBondContact O-CB 3.42Å; C130-I134 VanDerWaalsContact O-CG1 3.25Å; C130-I134 WeakPolarHBondContact O-CG1 3.49Å; C130-I134 PolarHBondContact O-N 2.61Å
131	I	96.8	Very high	94.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-48.3	175.8	-62.8	-179.3	0	0	0	110.4	L73 G127 H128 A133 I134 S135 I142 I144 A154 Y182	L73-I131 HydrophobicContact CD1-CD1 4.21Å; L73-I131 HydrophobicContact CD1-CG1 4.01Å; L73-I131 HydrophobicContact CD2-CG1 4.2Å; G127-I131 PolarHBondContact O-N 3.39Å; H128-I131 WeakPolarHBondContact O-CB 3.31Å; H128-I131 PolarHBondContact O-N 3.34Å; H128-I131 VanDerWaalsContact O-N 3.14Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 3.36Å; I131-I134 PolarHBondContact O-N 2.93Å; I131-S135 WeakPolarHBondContact O-CB 3.42Å; I131-S135 PolarHBondContact O-N 2.92Å; I131-S135 PolarHBondContact O-OG 2.82Å; I131-I142 HydrophobicContact CG2-CB 4.01Å; I131-I142 HydrophobicContact CG2-CD1 3.83Å; I131-I142 HydrophobicContact CG2-CG2 3.9Å; I131-I142 WeakPolarHBondContact O-CD1 3.34Å; I131-I144 HydrophobicContact CD1-CD1 3.73Å; I131-A154 HydrophobicContact CG2-CB 3.96Å; I131-Y182 HydrophobicContact CD1-CE1 4.36Å
132	I	93.9	Very high	94.6	Very high	20 Å²	20	29.8 Å²	29.8	10%	0.103	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-44.1	176.6	-66.3	169.9	0	0	0	110.8	F106 H128 S135 R136	F106-I132 HydrophobicContact CE1-CG2 4.38Å; F106-I132 HydrophobicContact CZ-CG2 4.41Å; H128-I132 WeakPolarHBondContact O-CG1 3.45Å; H128-I132 PolarHBondContact O-N 3.05Å; I132-S135 PolarHBondContact O-N 2.93Å; I132-S135 PolarHBondContact O-OG 3.11Å; I132-R136 VanDerWaalsContact CG2-CZ 3.42Å; I132-R136 WeakPolarHBondContact O-CB 3.29Å; I132-R136 VanDerWaalsContact O-CG 3.23Å; I132-R136 WeakPolarHBondContact O-CG 3.32Å; I132-R136 PolarHBondContact O-N 3.07Å; I132-R136 VanDerWaalsContact O-N 3.11Å
133	A	96.1	Very high	94.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-47.1	179.5	0	0	0	0	0	112	A95 Y98 I99 E129 C130 I131 R136 Y137	A95-A133 HydrophobicContact CB-CB 4.29Å; Y98-A133 HydrophobicContact CD1-CB 3.74Å; Y98-A133 HydrophobicContact CG-CB 4.17Å; I99-A133 HydrophobicContact CD1-CB 4.14Å; I99-A133 HydrophobicContact CG1-CB 3.75Å; E129-A133 WeakPolarHBondContact O-CB 3.48Å; E129-A133 PolarHBondContact O-N 3.38Å; C130-A133 PolarHBondContact O-N 2.9Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 3.36Å; A133-R136 PolarHBondContact O-N 2.93Å; A133-Y137 VanDerWaalsContact O-CB 3.26Å; A133-Y137 WeakPolarHBondContact O-CB 2.9Å; A133-Y137 PolarHBondContact O-N 3.12Å
134	I	98.2	Very high	94.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68	-43.4	178.9	-67.5	-58	0	0	0	111.7	L77 V91 Q94 A95 C130 I131 R136 Y137 F138 I142	L77-I134 HydrophobicContact CD1-CB 4.41Å; L77-I134 HydrophobicContact CD1-CG1 4.19Å; L77-I134 HydrophobicContact CD1-CG2 4.14Å; L77-I134 HydrophobicContact CD2-CG2 4.2Å; V91-I134 HydrophobicContact CG1-CD1 3.72Å; V91-I134 HydrophobicContact CG1-CG1 4.16Å; V91-I134 WeakPolarHBondContact O-CD1 3.5Å; Q94-I134 HydrophobicContact CB-CD1 4.38Å; A95-I134 HydrophobicContact CB-CD1 3.8Å; A95-I134 HydrophobicContact CB-CG1 3.98Å; C130-I134 WeakPolarHBondContact O-CB 3.42Å; C130-I134 VanDerWaalsContact O-CG1 3.25Å; C130-I134 WeakPolarHBondContact O-CG1 3.49Å; C130-I134 PolarHBondContact O-N 2.61Å; I131-I134 PolarHBondContact O-N 2.93Å; I134-R136 PolarHBondContact O-N 3.46Å; I134-Y137 PolarHBondContact O-N 3Å; I134-F138 HydrophobicContact CD1-CD2 4.44Å; I134-F138 HydrophobicContact CD1-CE2 4.08Å; I134-F138 HydrophobicContact CG2-CD2 3.81Å; I134-F138 HydrophobicContact CG2-CE2 4.27Å; I134-F138 PolarHBondContact O-N 2.91Å; I134-I142 HydrophobicContact CB-CD1 4.3Å; I134-I142 HydrophobicContact CG2-CD1 4.04Å
135	S	96	Very high	94.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.5	-39.4	179.2	77.5	0	0	0	0	111.2	I131 I132 S139 V140 G155 T156	I131-S135 WeakPolarHBondContact O-CB 3.42Å; I131-S135 PolarHBondContact O-N 2.92Å; I131-S135 PolarHBondContact O-OG 2.82Å; I132-S135 PolarHBondContact O-N 2.93Å; I132-S135 PolarHBondContact O-OG 3.11Å; S135-S139 CarbonylContact O-C 3.51Å; S135-S139 VanDerWaalsContact O-CA 3.28Å; S135-S139 WeakPolarHBondContact O-CA 3.28Å; S135-S139 PolarHBondContact O-N 2.7Å; S135-S139 VanDerWaalsContact O-N 3.12Å; S135-V140 WeakPolarHBondContact CB-O 3.42Å; S135-V140 PolarHBondContact O-N 2.98Å; S135-G155 WeakPolarHBondContact OG-CA 3.5Å; S135-T156 WeakPolarHBondContact CB-O 3.4Å; S135-T156 PolarHBondContact OG-N 2.79Å; S135-T156 PolarHBondContact OG-O 2.74Å
136	R	94.5	Very high	94.6	Very high	47 Å²	47	21.3 Å²	21.3	18%	0.177	11%	0.105	C	C	.	.	H	α-helix	trans	-79.2	-37.9	179.3	-67.7	176.5	-178.9	179.8	-7.3	113.5	Y98 E105 I132 A133 I134 V158	Y98-R136 HydrophobicContact CE1-CB 4.11Å; Y98-R136 HydrophobicContact CE2-CB 3.88Å; Y98-R136 WeakPolarHBondContact OH-CB 3.33Å; Y98-R136 WeakPolarHBondContact OH-CD 3.48Å; E105-R136 IonicContact OE1-NH1 3.9Å; E105-R136 IonicContact OE2-CZ 3.37Å; E105-R136 IonicContact OE2-NH1 2.61Å; E105-R136 PolarHBondContact OE2-NH1 2.78Å; E105-R136 IonicContact OE2-NH2 3.43Å; E105-R136 PolarHBondContact OE2-NH2 2.85Å; I132-R136 VanDerWaalsContact CG2-CZ 3.42Å; I132-R136 WeakPolarHBondContact O-CB 3.29Å; I132-R136 VanDerWaalsContact O-CG 3.23Å; I132-R136 WeakPolarHBondContact O-CG 3.32Å; I132-R136 PolarHBondContact O-N 3.07Å; I132-R136 VanDerWaalsContact O-N 3.11Å; A133-R136 PolarHBondContact O-N 2.93Å; I134-R136 PolarHBondContact O-N 3.46Å; R136-V158 HydrophobicContact CB-CG2 3.74Å; R136-V158 HydrophobicContact CG-CG2 4.01Å
137	Y	96.2	Very high	94.7	Very high	104 Å²	104	22.1 Å²	22.1	41%	0.408	11%	0.107	S	C	.	.	H	α-helix	trans	-65.9	-46.5	179	178.3	-89.6	0	0	0	111.9	Q94 Y98 A133 I134	Q94-Y137 HydrophobicContact CB-CD1 4.07Å; Q94-Y137 HydrophobicContact CB-CD2 4.49Å; Q94-Y137 HydrophobicContact CB-CE1 3.99Å; Q94-Y137 HydrophobicContact CB-CE2 4.39Å; Q94-Y137 HydrophobicContact CB-CG 4.33Å; Q94-Y137 VanDerWaalsContact CD-OH 3.24Å; Q94-Y137 HydrophobicContact CG-CD1 4.32Å; Q94-Y137 HydrophobicContact CG-CE1 3.74Å; Q94-Y137 HydrophobicContact CG-CE2 4.42Å; Q94-Y137 VanDerWaalsContact OE1-CE2 3.23Å; Q94-Y137 PolarHBondContact OE1-OH 3.48Å; Y98-Y137 HydrophobicContact CD2-CD2 4.32Å; A133-Y137 VanDerWaalsContact O-CB 3.26Å; A133-Y137 WeakPolarHBondContact O-CB 2.9Å; A133-Y137 PolarHBondContact O-N 3.12Å; I134-Y137 PolarHBondContact O-N 3Å
138	F	95.5	Very high	94.8	Very high	54 Å²	54	28.2 Å²	28.2	24%	0.237	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.1	179.7	-71.5	-76.4	0	0	0	113.7	L81 Y82 I134 V140	L81-F138 HydrophobicContact CD1-CD2 3.82Å; L81-F138 HydrophobicContact CD1-CE1 4.36Å; L81-F138 HydrophobicContact CD1-CE2 3.64Å; L81-F138 HydrophobicContact CD1-CG 4.26Å; L81-F138 HydrophobicContact CD1-CZ 3.93Å; L81-F138 HydrophobicContact CD2-CB 4.34Å; L81-F138 HydrophobicContact CD2-CD1 4.14Å; L81-F138 HydrophobicContact CD2-CD2 4.39Å; L81-F138 HydrophobicContact CD2-CG 4.04Å; Y82-F138 WeakPolarHBondContact OH-CE1 3.45Å; Y82-F138 WeakPolarHBondContact OH-CZ 3.41Å; I134-F138 HydrophobicContact CD1-CD2 4.44Å; I134-F138 HydrophobicContact CD1-CE2 4.08Å; I134-F138 HydrophobicContact CG2-CD2 3.81Å; I134-F138 HydrophobicContact CG2-CE2 4.27Å; I134-F138 PolarHBondContact O-N 2.91Å; F138-V140 HydrophobicContact CB-CG1 3.98Å; F138-V140 HydrophobicContact CB-CG2 4.09Å
139	S	93.2	Very high	94.8	Very high	38 Å²	38	29.9 Å²	29.9	27%	0.266	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	59.4	-171.3	-67.2	0	0	0	0	111.9	S135 Y169	S135-S139 CarbonylContact O-C 3.51Å; S135-S139 VanDerWaalsContact O-CA 3.28Å; S135-S139 WeakPolarHBondContact O-CA 3.28Å; S135-S139 PolarHBondContact O-N 2.7Å; S135-S139 VanDerWaalsContact O-N 3.12Å; S139-Y169 WeakPolarHBondContact O-CD1 3.35Å
140	V	94	Very high	94.4	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.03	15%	0.154	C	C	.	.			trans	-127.7	155.6	178.8	-61.8	0	0	0	0	110.9	S135 F138 I142 P170 L172	S135-V140 WeakPolarHBondContact CB-O 3.42Å; S135-V140 PolarHBondContact O-N 2.98Å; F138-V140 HydrophobicContact CB-CG1 3.98Å; F138-V140 HydrophobicContact CB-CG2 4.09Å; V140-I142 HydrophobicContact CG2-CG1 4.2Å; V140-P170 WeakPolarHBondContact CA-O 3.26Å; V140-P170 HydrophobicContact CG1-CB 3.9Å; V140-P170 HydrophobicContact CG1-CG 4.1Å; V140-L172 HydrophobicContact CB-CD1 4.46Å; V140-L172 HydrophobicContact CB-CG 4.15Å; V140-L172 HydrophobicContact CG2-CD1 3.73Å; V140-L172 HydrophobicContact CG2-CG 3.91Å
141	Y	93.3	Very high	94.1	Very high	22 Å²	22	34.8 Å²	34.8	9%	0.086	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	143.5	161.6	-71.9	-70.1	0	0	0	110.2	L153 G155 T156 P157 V166 Y169 P170 Q171 L172 L202	Y141-L153 HydrophobicContact CD1-CD1 3.7Å; Y141-L153 HydrophobicContact CE1-CD1 4.38Å; Y141-L153 HydrophobicContact CG-CD1 4.4Å; Y141-G155 WeakPolarHBondContact CA-O 3.44Å; Y141-T156 HydrophobicContact CD1-CG2 4.31Å; Y141-T156 HydrophobicContact CE1-CG2 4.1Å; Y141-P157 VanDerWaalsContact CD1-CD 3.47Å; Y141-P157 HydrophobicContact CD1-CG 4.48Å; Y141-P157 HydrophobicContact CD2-CG 4.49Å; Y141-P157 HydrophobicContact CE1-CG 4.14Å; Y141-P157 HydrophobicContact CE2-CG 4.11Å; Y141-V166 WeakPolarHBondContact OH-CG1 3.41Å; Y141-Y169 HydrophobicContact CE2-CD2 4.46Å; Y141-P170 PolarHBondContact N-O 3.16Å; Y141-Q171 HydrophobicContact CD2-CG 4.44Å; Y141-L172 PolarHBondContact O-N 3.3Å; Y141-L202 HydrophobicContact CD2-CD1 4.14Å; Y141-L202 HydrophobicContact CE1-CD1 4.35Å; Y141-L202 HydrophobicContact CE2-CD1 3.93Å; Y141-L202 HydrophobicContact CG-CD1 4.44Å
142	I	95.5	Very high	93.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.1	170.7	-57	176.9	0	0	0	108.5	L77 I131 I134 V140 A154 G155 L172 L174	L77-I142 HydrophobicContact CD2-CD1 3.95Å; I131-I142 HydrophobicContact CG2-CB 4.01Å; I131-I142 HydrophobicContact CG2-CD1 3.83Å; I131-I142 HydrophobicContact CG2-CG2 3.9Å; I131-I142 WeakPolarHBondContact O-CD1 3.34Å; I134-I142 HydrophobicContact CB-CD1 4.3Å; I134-I142 HydrophobicContact CG2-CD1 4.04Å; V140-I142 HydrophobicContact CG2-CG1 4.2Å; I142-A154 PolarHBondContact O-N 3.21Å; I142-G155 PolarHBondContact N-O 3.2Å; I142-G155 PolarHBondContact O-N 3.02Å; I142-G155 VanDerWaalsContact O-N 3.13Å; I142-L172 CarbonylContact C-O 3.58Å; I142-L172 WeakPolarHBondContact CA-O 3.35Å; I142-L172 HydrophobicContact CG1-CB 4.37Å; I142-L172 HydrophobicContact CG1-CD1 4.36Å; I142-L174 HydrophobicContact CG2-CD1 4.03Å; I142-L174 HydrophobicContact CG2-CG 4.35Å
143	I	94.9	Very high	93.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.6	-177.3	-64.8	162.7	0	0	0	108.4	P151 W152 L153 Q171 L172 H173 L174 F254	I143-P151 HydrophobicContact CG2-CB 3.77Å; I143-W152 CarbonylContact C-O 3.46Å; I143-W152 VanDerWaalsContact CA-O 3.26Å; I143-W152 WeakPolarHBondContact CA-O 3.4Å; I143-L153 HydrophobicContact CG1-CD1 4.17Å; I143-Q171 HydrophobicContact CD1-CB 4.08Å; I143-Q171 HydrophobicContact CD1-CG 4.17Å; I143-L172 PolarHBondContact N-O 2.61Å; I143-H173 WeakPolarHBondContact CD1-CE1 3.5Å; I143-H173 WeakPolarHBondContact O-CA 3.43Å; I143-L174 PolarHBondContact O-N 3.33Å; I143-F254 HydrophobicContact CD1-CE1 4.19Å; I143-F254 HydrophobicContact CD1-CZ 4.49Å; I143-F254 HydrophobicContact CG1-CE1 4.31Å; I143-F254 HydrophobicContact CG2-CE1 4.03Å
144	I	95.2	Very high	93.5	Very high	15 Å²	15	38.2 Å²	38.2	8%	0.077	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.3	178.8	-57.8	173.6	0	0	0	109.2	I131 Q146 P151 W152 A154 L174 Y182	I131-I144 HydrophobicContact CD1-CD1 3.73Å; I144-Q146 HydrophobicContact CG2-CG 4.38Å; I144-P151 CarbonylContact O-C 3.58Å; I144-P151 WeakPolarHBondContact O-CA 3.07Å; I144-W152 HydrophobicContact CB-CB 4.3Å; I144-W152 PolarHBondContact N-O 3.14Å; I144-W152 PolarHBondContact O-N 2.84Å; I144-A154 HydrophobicContact CD1-CB 3.4Å; I144-A154 VanDerWaalsContact CD1-CB 3.4Å; I144-A154 HydrophobicContact CG1-CB 3.7Å; I144-L174 CarbonylContact C-O 3.55Å; I144-L174 WeakPolarHBondContact CA-O 3.3Å; I144-Y182 HydrophobicContact CD1-CE1 4.27Å
145	H	94.3	Very high	93.1	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	143.4	169.9	-61.5	-90.4	0	0	0	109.9	F52 L56 H173 L174 A175 Y176	F52-H145 HydrophobicContact CE2-CB 4.19Å; F52-H145 HydrophobicContact CZ-CB 4.01Å; F52-H145 WeakPolarHBondContact CZ-O 3.43Å; L56-H145 HydrophobicContact CD2-CB 3.99Å; H145-H173 AromaticContact NE2-CG 3.99Å; H145-H173 AromaticContact NE2-ND1 3.28Å; H145-H173 PolarHBondContact NE2-ND1 3.38Å; H145-L174 PolarHBondContact CD2-O 3.37Å; H145-L174 PolarHBondContact N-O 2.83Å; H145-A175 WeakPolarHBondContact O-CA 3.37Å; H145-Y176 PolarHBondContact O-N 2.92Å
146	Q	94.4	Very high	92.9	Very high	38 Å²	38	39.9 Å²	39.9	18%	0.178	19%	0.185	C	C	.	.			trans	-138.2	149.8	172.6	-75	-178.4	-16.9	0	0	109.3	Q55 I144 K148 Q149 Y176	Q55-Q146 PolarHBondContact NE2-O 3.41Å; I144-Q146 HydrophobicContact CG2-CG 4.38Å; Q146-K148 PolarHBondContact O-N 2.98Å; Q146-Q149 HydrophobicContact CB-CB 4.09Å; Q146-Q149 HydrophobicContact CB-CG 4.42Å; Q146-Q149 PolarHBondContact O-N 2.81Å; Q146-Q149 VanDerWaalsContact OE1-CD 3.28Å; Q146-Y176 HydrophobicContact CG-CD1 4.25Å
147	L	94.6	Very high	92.7	Very high	27 Å²	27	38 Å²	38	14%	0.141	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	133.1	177.7	176.3	61.7	0	0	0	110.8	E51 F52 Q149	E51-L147 HydrophobicContact CB-CD1 4.26Å; E51-L147 HydrophobicContact CG-CD1 3.89Å; F52-L147 HydrophobicContact CB-CB 4.1Å; F52-L147 HydrophobicContact CB-CD1 4.04Å; F52-L147 HydrophobicContact CB-CG 4.44Å; F52-L147 HydrophobicContact CD1-CB 4.35Å; F52-L147 HydrophobicContact CD2-CB 4.09Å; F52-L147 HydrophobicContact CG-CB 3.94Å; L147-Q149 PolarHBondContact O-N 3Å; L147-Q149 VanDerWaalsContact O-N 3.16Å
148	K	93.3	Very high	92.2	Very high	147 Å²	147	36.7 Å²	36.7	64%	0.639	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	22.3	178	-67.3	165	172.9	156.6	0	114.3	E51 Q146	E51-K148 VanDerWaalsContact CD-CE 3.43Å; E51-K148 WeakPolarHBondContact OE1-CE 3.35Å; E51-K148 IonicContact OE1-NZ 2.74Å; E51-K148 PolarHBondContact OE1-NZ 2.88Å; E51-K148 WeakPolarHBondContact OE2-CE 3.44Å; E51-K148 IonicContact OE2-NZ 3.39Å; E51-K148 PolarHBondContact OE2-NZ 3.35Å; Q146-K148 PolarHBondContact O-N 2.98Å
149	Q	90	Very high	91.4	Very high	84 Å²	84	38.7 Å²	38.7	39%	0.393	19%	0.193	S	C	.	.	S	Bend	trans	-128.5	155.1	179.1	-64.5	-174	43.9	0	0	111.5	Q146 L147	Q146-Q149 HydrophobicContact CB-CB 4.09Å; Q146-Q149 HydrophobicContact CB-CG 4.42Å; Q146-Q149 PolarHBondContact O-N 2.81Å; Q146-Q149 VanDerWaalsContact OE1-CD 3.28Å; L147-Q149 PolarHBondContact O-N 3Å; L147-Q149 VanDerWaalsContact O-N 3.16Å
150	K	86.7	Confident	90.6	Very high	113 Å²	113	40.5 Å²	40.5	49%	0.491	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-66.2	147.3	167.3	-70.8	-176.7	176.2	-179.4	0	109.4	D252	K150-D252 PolarHBondContact NZ-O 2.91Å
151	P	90.4	Very high	89.5	Confident	13 Å²	13	50.3 Å²	50.3	8%	0.084	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-59.9	144.4	175.3	-21.8	33.1	0	0	0	112.1	I143 I144 F254 Q255	I143-P151 HydrophobicContact CG2-CB 3.77Å; I144-P151 CarbonylContact O-C 3.58Å; I144-P151 WeakPolarHBondContact O-CA 3.07Å; P151-F254 HydrophobicContact CB-CD1 4.04Å; P151-F254 HydrophobicContact CB-CE1 3.97Å; P151-F254 WeakPolarHBondContact O-CA 3.28Å; P151-Q255 PolarHBondContact O-N 3.39Å
152	W	91	Very high	88.6	Confident	55 Å²	55	54.1 Å²	54.1	21%	0.208	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.9	176.5	-73	82.8	0	0	0	110.5	I143 I144 A154 Q255 F257	I143-W152 CarbonylContact C-O 3.46Å; I143-W152 VanDerWaalsContact CA-O 3.26Å; I143-W152 WeakPolarHBondContact CA-O 3.4Å; I144-W152 HydrophobicContact CB-CB 4.3Å; I144-W152 PolarHBondContact N-O 3.14Å; I144-W152 PolarHBondContact O-N 2.84Å; W152-A154 PolarHBondContact O-N 3.21Å; W152-Q255 WeakPolarHBondContact CA-O 3.39Å; W152-Q255 HydrophobicContact CD2-CB 3.54Å; W152-Q255 HydrophobicContact CE3-CB 3.43Å; W152-Q255 VanDerWaalsContact CE3-CB 3.43Å; W152-Q255 HydrophobicContact CG-CB 4.2Å; W152-Q255 HydrophobicContact CH2-CB 3.92Å; W152-Q255 HydrophobicContact CZ2-CB 4.04Å; W152-Q255 HydrophobicContact CZ3-CB 3.63Å; W152-F257 AromaticContact CE3-CD2 3.95Å; W152-F257 HydrophobicContact CE3-CD2 3.95Å; W152-F257 AromaticContact CE3-CE2 3.81Å; W152-F257 HydrophobicContact CE3-CE2 3.81Å; W152-F257 HydrophobicContact CZ3-CD2 4.04Å; W152-F257 AromaticContact CZ3-CE2 3.88Å; W152-F257 HydrophobicContact CZ3-CE2 3.88Å; W152-F257 HydrophobicContact CZ3-CZ 4.34Å
153	L	91.8	Very high	87.3	Confident	31 Å²	31	58.1 Å²	58.1	16%	0.162	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	92	164.9	-176.1	63.5	0	0	0	108.1	Y141 I143 T156 F254 Q255 T256	Y141-L153 HydrophobicContact CD1-CD1 3.7Å; Y141-L153 HydrophobicContact CE1-CD1 4.38Å; Y141-L153 HydrophobicContact CG-CD1 4.4Å; I143-L153 HydrophobicContact CG1-CD1 4.17Å; L153-T156 HydrophobicContact CD2-CG2 4.22Å; L153-T156 HydrophobicContact CG-CG2 4.36Å; L153-F254 HydrophobicContact CB-CB 3.9Å; L153-F254 HydrophobicContact CB-CD1 4.42Å; L153-F254 HydrophobicContact CB-CG 4.27Å; L153-Q255 PolarHBondContact N-O 2.88Å; L153-T256 HydrophobicContact CB-CG2 4.25Å; L153-T256 HydrophobicContact CD2-CG2 4.37Å
154	A	91.1	Very high	85.8	Confident	7 Å²	7	65.3 Å²	65.3	6%	0.058	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-31	-169.1	0	0	0	0	0	113.4	H128 I131 I142 I144 W152	H128-A154 PolarHBondContact NE2-O 2.87Å; I131-A154 HydrophobicContact CG2-CB 3.96Å; I142-A154 PolarHBondContact O-N 3.21Å; I144-A154 HydrophobicContact CD1-CB 3.4Å; I144-A154 VanDerWaalsContact CD1-CB 3.4Å; I144-A154 HydrophobicContact CG1-CB 3.7Å; W152-A154 PolarHBondContact O-N 3.21Å
155	G	90	Very high	84.7	Confident	2 Å²	2	68.4 Å²	68.4	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.2	179.1	0	0	0	0	0	111.5	S135 Y141 I142	S135-G155 WeakPolarHBondContact OG-CA 3.5Å; Y141-G155 WeakPolarHBondContact CA-O 3.44Å; I142-G155 PolarHBondContact N-O 3.2Å; I142-G155 PolarHBondContact O-N 3.02Å; I142-G155 VanDerWaalsContact O-N 3.13Å
156	T	90.2	Very high	83.8	Confident	34 Å²	34	70.9 Å²	70.9	21%	0.209	36%	0.361	C	S	.	.			trans	-119.3	148.6	176.8	55.9	0	0	0	0	110.6	S135 Y141 L153 H260	S135-T156 WeakPolarHBondContact CB-O 3.4Å; S135-T156 PolarHBondContact OG-N 2.79Å; S135-T156 PolarHBondContact OG-O 2.74Å; Y141-T156 HydrophobicContact CD1-CG2 4.31Å; Y141-T156 HydrophobicContact CE1-CG2 4.1Å; L153-T156 HydrophobicContact CD2-CG2 4.22Å; L153-T156 HydrophobicContact CG-CG2 4.36Å; T156-H260 PolarHBondContact OG1-NE2 3.17Å
157	P	90.3	Very high	82.8	Confident	7 Å²	7	71.9 Å²	71.9	5%	0.045	37%	0.373	C	S	.	.			trans	-70.5	162.7	176.9	30.9	-36.3	0	0	0	111	Y141 I159 Y169	Y141-P157 VanDerWaalsContact CD1-CD 3.47Å; Y141-P157 HydrophobicContact CD1-CG 4.48Å; Y141-P157 HydrophobicContact CD2-CG 4.49Å; Y141-P157 HydrophobicContact CE1-CG 4.14Å; Y141-P157 HydrophobicContact CE2-CG 4.11Å; P157-I159 HydrophobicContact CG-CG1 4.41Å; P157-I159 PolarHBondContact O-N 2.9Å; P157-I159 VanDerWaalsContact O-N 3.15Å; P157-Y169 HydrophobicContact CB-CD1 3.96Å; P157-Y169 HydrophobicContact CB-CD2 4.25Å; P157-Y169 HydrophobicContact CB-CE1 4.21Å; P157-Y169 HydrophobicContact CB-CG 3.97Å; P157-Y169 HydrophobicContact CG-CD1 4.26Å; P157-Y169 HydrophobicContact CG-CD2 3.68Å; P157-Y169 HydrophobicContact CG-CE2 4.14Å; P157-Y169 HydrophobicContact CG-CG 3.77Å
158	V	86.4	Confident	82.2	Confident	76 Å²	76	73.3 Å²	73.3	46%	0.461	38%	0.383	S	S	.	.			trans	-73	104.8	161.4	-179.7	0	0	0	0	107.3	R136 D160	R136-V158 HydrophobicContact CB-CG2 3.74Å; R136-V158 HydrophobicContact CG-CG2 4.01Å; V158-D160 PolarHBondContact O-N 2.75Å; V158-D160 VanDerWaalsContact O-N 3.14Å
159	I	79.9	Confident	81.9	Confident	96 Å²	96	66.9 Å²	66.9	49%	0.492	35%	0.354	S	S	.	.			trans	-71.3	109.6	-179.2	-57.7	175.1	0	0	0	108.8	P157 V166	P157-I159 HydrophobicContact CG-CG1 4.41Å; P157-I159 PolarHBondContact O-N 2.9Å; P157-I159 VanDerWaalsContact O-N 3.15Å; I159-V166 HydrophobicContact CD1-CG1 4.12Å; I159-V166 HydrophobicContact CG1-CG1 4.36Å
160	D	75.4	Confident	82	Confident	76 Å²	76	66 Å²	66	41%	0.406	36%	0.356	S	S	.	.			trans	-71.5	131.8	164.8	-169.1	-15	0	0	0	109.6	V158 T162 H163 Y169	V158-D160 PolarHBondContact O-N 2.75Å; V158-D160 VanDerWaalsContact O-N 3.14Å; D160-T162 PolarHBondContact O-N 3.27Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.31Å; D160-T162 PolarHBondContact OD1-N 2.83Å; D160-T162 PolarHBondContact OD1-OG1 2.82Å; D160-T162 PolarHBondContact OD2-OG1 2.81Å; D160-H163 HydrophobicContact CB-CB 4.37Å; D160-H163 WeakPolarHBondContact O-CB 3.32Å; D160-H163 PolarHBondContact O-N 3.28Å; D160-Y169 PolarHBondContact N-OH 2.96Å
161	K	71.9	Confident	82.4	Confident	211 Å²	211	61 Å²	61	92%	0.917	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.5	174.4	-64.6	-178.9	-178.1	178.4	0	112.5
162	T	74.5	Confident	82.7	Confident	103 Å²	103	60.7 Å²	60.7	63%	0.632	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.9	175.5	73.7	0	0	0	0	112.8	D160 V164	D160-T162 PolarHBondContact O-N 3.27Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.31Å; D160-T162 PolarHBondContact OD1-N 2.83Å; D160-T162 PolarHBondContact OD1-OG1 2.82Å; D160-T162 PolarHBondContact OD2-OG1 2.81Å; T162-V164 PolarHBondContact O-N 3.11Å
163	H	66.3	Low	83	Confident	84 Å²	84	58 Å²	58	39%	0.389	32%	0.322	S	S	.	.			trans	-73.4	103.2	176.2	-106.3	-85.1	0	0	0	109.9	D160 N165 Y169	D160-H163 HydrophobicContact CB-CB 4.37Å; D160-H163 WeakPolarHBondContact O-CB 3.32Å; D160-H163 PolarHBondContact O-N 3.28Å; H163-N165 PolarHBondContact O-N 3.21Å; H163-Y169 HydrophobicContact CB-CE2 4.31Å; H163-Y169 WeakPolarHBondContact CB-OH 3.49Å; H163-Y169 AromaticContact CD2-CZ 3.87Å; H163-Y169 PolarHBondContact CD2-OH 3.32Å; H163-Y169 AromaticContact CG-CZ 3.74Å; H163-Y169 VanDerWaalsContact CG-OH 3.25Å
164	V	63.4	Low	83.3	Confident	151 Å²	151	56.6 Å²	56.6	92%	0.915	31%	0.314	S	S	*	.	S	Bend	trans	-62.2	-29.3	-174	-174	0	0	0	0	112.4	T162	T162-V164 PolarHBondContact O-N 3.11Å
165	N	73.2	Confident	83.5	Confident	80 Å²	80	56.2 Å²	56.2	43%	0.428	31%	0.312	S	S	.	.			trans	-134.8	105.6	-177.3	-172.6	-9.9	0	0	0	111.9	H163 S167 T168	H163-N165 PolarHBondContact O-N 3.21Å; N165-S167 PolarHBondContact ND2-OG 3.42Å; N165-S167 PolarHBondContact O-N 3.14Å; N165-S167 WeakPolarHBondContact OD1-CB 3.42Å; N165-S167 PolarHBondContact OD1-N 3.27Å; N165-S167 PolarHBondContact OD1-OG 3.28Å; N165-T168 HydrophobicContact CB-CG2 3.78Å; N165-T168 WeakPolarHBondContact O-CB 3.36Å; N165-T168 WeakPolarHBondContact O-CG2 3.48Å; N165-T168 PolarHBondContact O-N 3.22Å; N165-T168 PolarHBondContact O-OG1 3.37Å
166	V	74.4	Confident	83.7	Confident	53 Å²	53	58.7 Å²	58.7	32%	0.321	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-60.9	-26.7	179.8	-161.5	0	0	0	0	112	Y141 I159 T168 Y169	Y141-V166 WeakPolarHBondContact OH-CG1 3.41Å; I159-V166 HydrophobicContact CD1-CG1 4.12Å; I159-V166 HydrophobicContact CG1-CG1 4.36Å; V166-T168 PolarHBondContact O-N 3.09Å; V166-T168 VanDerWaalsContact O-N 3.13Å; V166-Y169 HydrophobicContact CG1-CD2 4.11Å; V166-Y169 HydrophobicContact CG1-CE2 4.25Å; V166-Y169 VanDerWaalsContact O-CD2 3.29Å; V166-Y169 WeakPolarHBondContact O-CD2 3.4Å; V166-Y169 PolarHBondContact O-N 3.28Å
167	S	74.2	Confident	83.9	Confident	60 Å²	60	57.2 Å²	57.2	42%	0.42	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-68.8	-8.1	176	73.6	0	0	0	0	114	N165 R199	N165-S167 PolarHBondContact ND2-OG 3.42Å; N165-S167 PolarHBondContact O-N 3.14Å; N165-S167 WeakPolarHBondContact OD1-CB 3.42Å; N165-S167 PolarHBondContact OD1-N 3.27Å; N165-S167 PolarHBondContact OD1-OG 3.28Å; S167-R199 PolarHBondContact O-NH1 3.13Å
168	T	81.8	Confident	83.3	Confident	56 Å²	56	63 Å²	63	34%	0.344	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-80.6	-16.9	179.6	61.7	0	0	0	0	113.9	N165 V166 R199	N165-T168 HydrophobicContact CB-CG2 3.78Å; N165-T168 WeakPolarHBondContact O-CB 3.36Å; N165-T168 WeakPolarHBondContact O-CG2 3.48Å; N165-T168 PolarHBondContact O-N 3.22Å; N165-T168 PolarHBondContact O-OG1 3.37Å; V166-T168 PolarHBondContact O-N 3.09Å; V166-T168 VanDerWaalsContact O-N 3.13Å; T168-R199 PolarHBondContact O-NH2 3.01Å
169	Y	87.5	Confident	82.6	Confident	12 Å²	12	61.1 Å²	61.1	5%	0.047	34%	0.338	C	S	.	.	S	Bend	trans	-63.9	136.4	176.8	-70	-71.9	0	0	0	110.4	S139 Y141 P157 D160 H163 V166	S139-Y169 WeakPolarHBondContact O-CD1 3.35Å; Y141-Y169 HydrophobicContact CE2-CD2 4.46Å; P157-Y169 HydrophobicContact CB-CD1 3.96Å; P157-Y169 HydrophobicContact CB-CD2 4.25Å; P157-Y169 HydrophobicContact CB-CE1 4.21Å; P157-Y169 HydrophobicContact CB-CG 3.97Å; P157-Y169 HydrophobicContact CG-CD1 4.26Å; P157-Y169 HydrophobicContact CG-CD2 3.68Å; P157-Y169 HydrophobicContact CG-CE2 4.14Å; P157-Y169 HydrophobicContact CG-CG 3.77Å; D160-Y169 PolarHBondContact N-OH 2.96Å; H163-Y169 HydrophobicContact CB-CE2 4.31Å; H163-Y169 WeakPolarHBondContact CB-OH 3.49Å; H163-Y169 AromaticContact CD2-CZ 3.87Å; H163-Y169 PolarHBondContact CD2-OH 3.32Å; H163-Y169 AromaticContact CG-CZ 3.74Å; H163-Y169 VanDerWaalsContact CG-OH 3.25Å; V166-Y169 HydrophobicContact CG1-CD2 4.11Å; V166-Y169 HydrophobicContact CG1-CE2 4.25Å; V166-Y169 VanDerWaalsContact O-CD2 3.29Å; V166-Y169 WeakPolarHBondContact O-CD2 3.4Å; V166-Y169 PolarHBondContact O-N 3.28Å
170	P	92.8	Very high	82.7	Confident	66 Å²	66	62.2 Å²	62.2	43%	0.429	34%	0.341	S	S	.	.			trans	-58.8	149.2	177.5	-21.2	31.3	0	0	0	112.1	V140 Y141	V140-P170 WeakPolarHBondContact CA-O 3.26Å; V140-P170 HydrophobicContact CG1-CB 3.9Å; V140-P170 HydrophobicContact CG1-CG 4.1Å; Y141-P170 PolarHBondContact N-O 3.16Å
171	Q	94	Very high	83.5	Confident	9 Å²	9	58.6 Å²	58.6	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.7	173	-57.1	-178.8	9.2	0	0	109.4	Y141 I143 H173 I200	Y141-Q171 HydrophobicContact CD2-CG 4.44Å; I143-Q171 HydrophobicContact CD1-CB 4.08Å; I143-Q171 HydrophobicContact CD1-CG 4.17Å; Q171-H173 WeakPolarHBondContact CB-NE2 3.32Å; Q171-H173 PolarHBondContact OE1-NE2 3.46Å; Q171-I200 PolarHBondContact NE2-O 3.19Å; Q171-I200 PolarHBondContact OE1-O 3.16Å
172	L	97.2	Very high	84.7	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.6	169.5	-46.1	-173.7	0	0	0	108.3	L77 Q80 L81 V140 Y141 I142 I143	L77-L172 HydrophobicContact CD2-CD1 3.91Å; Q80-L172 HydrophobicContact CB-CB 4.05Å; Q80-L172 HydrophobicContact CB-CD1 4.36Å; Q80-L172 HydrophobicContact CB-CD2 3.94Å; Q80-L172 HydrophobicContact CB-CG 4.32Å; Q80-L172 HydrophobicContact CG-CB 4.27Å; L81-L172 HydrophobicContact CD1-CD1 4.39Å; L81-L172 HydrophobicContact CD2-CD1 3.86Å; L81-L172 HydrophobicContact CD2-CD2 4.13Å; L81-L172 HydrophobicContact CG-CD1 3.85Å; L81-L172 HydrophobicContact CG-CD2 4.47Å; V140-L172 HydrophobicContact CB-CD1 4.46Å; V140-L172 HydrophobicContact CB-CG 4.15Å; V140-L172 HydrophobicContact CG2-CD1 3.73Å; V140-L172 HydrophobicContact CG2-CG 3.91Å; Y141-L172 PolarHBondContact O-N 3.3Å; I142-L172 CarbonylContact C-O 3.58Å; I142-L172 WeakPolarHBondContact CA-O 3.35Å; I142-L172 HydrophobicContact CG1-CB 4.37Å; I142-L172 HydrophobicContact CG1-CD1 4.36Å; I143-L172 PolarHBondContact N-O 2.61Å
173	H	97.1	Very high	85.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.6	-178.7	-65	-98.8	0	0	0	110.5	Q80 I143 H145 Q171 V185 I198 I200	Q80-H173 PolarHBondContact NE2-O 2.86Å; Q80-H173 PolarHBondContact OE1-O 2.83Å; I143-H173 WeakPolarHBondContact CD1-CE1 3.5Å; I143-H173 WeakPolarHBondContact O-CA 3.43Å; H145-H173 AromaticContact NE2-CG 3.99Å; H145-H173 AromaticContact NE2-ND1 3.28Å; H145-H173 PolarHBondContact NE2-ND1 3.38Å; Q171-H173 WeakPolarHBondContact CB-NE2 3.32Å; Q171-H173 PolarHBondContact OE1-NE2 3.46Å; H173-V185 HydrophobicContact CB-CB 3.83Å; H173-V185 HydrophobicContact CB-CG1 4.15Å; H173-V185 PolarHBondContact O-N 3.44Å; H173-I198 HydrophobicContact CB-CD1 4.31Å; H173-I198 WeakPolarHBondContact NE2-CG2 3.24Å; H173-I200 VanDerWaalsContact CE1-CD1 3.46Å; H173-I200 WeakPolarHBondContact CE1-CD1 3.22Å
174	L	97.3	Very high	87.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	154.3	177.1	-55.1	-178.3	0	0	0	109.8	L73 L77 Q80 I142 I143 I144 H145 Y182 S183 V185	L73-L174 HydrophobicContact CD1-CD1 3.93Å; L77-L174 HydrophobicContact CD2-CD1 3.97Å; L77-L174 HydrophobicContact CD2-CD2 4.36Å; L77-L174 HydrophobicContact CG-CD1 4.2Å; Q80-L174 HydrophobicContact CG-CD2 4.08Å; I142-L174 HydrophobicContact CG2-CD1 4.03Å; I142-L174 HydrophobicContact CG2-CG 4.35Å; I143-L174 PolarHBondContact O-N 3.33Å; I144-L174 CarbonylContact C-O 3.55Å; I144-L174 WeakPolarHBondContact CA-O 3.3Å; H145-L174 PolarHBondContact CD2-O 3.37Å; H145-L174 PolarHBondContact N-O 2.83Å; L174-Y182 HydrophobicContact CB-CD1 4.4Å; L174-Y182 HydrophobicContact CD1-CD1 4.22Å; L174-S183 CarbonylContact C-O 3.54Å; L174-S183 WeakPolarHBondContact CA-O 3.47Å; L174-V185 VanDerWaalsContact C-CG2 3.49Å
175	A	96.2	Very high	88.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.7	167.2	0	0	0	0	0	108.3	F52 H145 Y182 S183 V185	F52-A175 HydrophobicContact CE1-CB 3.77Å; F52-A175 HydrophobicContact CZ-CB 3.79Å; H145-A175 WeakPolarHBondContact O-CA 3.37Å; A175-Y182 CarbonylContact O-C 3.59Å; A175-Y182 VanDerWaalsContact O-CA 3.29Å; A175-Y182 WeakPolarHBondContact O-CA 3.35Å; A175-S183 PolarHBondContact N-O 2.97Å; A175-S183 PolarHBondContact O-N 3.5Å; A175-V185 HydrophobicContact CB-CG2 3.58Å
176	Y	95	Very high	89.8	Confident	54 Å²	54	30.1 Å²	30.1	21%	0.212	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.4	172.4	-178.5	-95.7	0	0	0	109.9	H145 Q146 Y182	H145-Y176 PolarHBondContact O-N 2.92Å; Q146-Y176 HydrophobicContact CG-CD1 4.25Å; Y176-Y182 HydrophobicContact CD2-CD1 4.02Å; Y176-Y182 HydrophobicContact CD2-CD2 4.28Å; Y176-Y182 AromaticContact CD2-CE1 3.54Å; Y176-Y182 HydrophobicContact CD2-CE1 3.54Å; Y176-Y182 AromaticContact CD2-CE2 3.84Å; Y176-Y182 HydrophobicContact CD2-CE2 3.84Å; Y176-Y182 HydrophobicContact CD2-CG 4.38Å; Y176-Y182 AromaticContact CD2-CZ 3.43Å; Y176-Y182 VanDerWaalsContact CD2-CZ 3.43Å; Y176-Y182 HydrophobicContact CE2-CE1 4.39Å; Y176-Y182 AromaticContact CE2-CE2 3.97Å; Y176-Y182 HydrophobicContact CE2-CE2 3.97Å; Y176-Y182 AromaticContact CE2-CZ 3.83Å; Y176-Y182 HydrophobicContact CG-CE1 4.31Å
177	H	92.5	Very high	90.7	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	162.3	-177.9	-52.8	-86	0	0	0	110.8	Y42 L43 F52 G179 E180 H181 S183	Y42-H177 HydrophobicContact CD1-CB 4.43Å; Y42-H177 HydrophobicContact CE1-CB 3.59Å; L43-H177 WeakPolarHBondContact CD2-CE1 3.35Å; F52-H177 AromaticContact CD1-CE1 3.62Å; F52-H177 AromaticContact CD1-ND1 3.42Å; F52-H177 WeakPolarHBondContact CD1-ND1 3.47Å; F52-H177 AromaticContact CE1-CE1 3.72Å; F52-H177 AromaticContact CE1-ND1 3.66Å; H177-G179 PolarHBondContact O-N 2.77Å; H177-E180 PolarHBondContact O-N 2.87Å; H177-H181 HydrophobicContact CB-CB 4.37Å; H177-H181 AromaticContact CD2-CD2 3.73Å; H177-H181 PolarHBondContact CD2-O 3.3Å; H177-H181 PolarHBondContact N-O 2.77Å; H177-S183 PolarHBondContact NE2-OG 2.56Å
178	N	77.7	Confident	91.4	Very high	130 Å²	130	32.1 Å²	32.1	70%	0.695	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-1.6	-167.8	-73.7	-22.4	0	0	0	115.8
179	G	73.5	Confident	91.8	Very high	36 Å²	36	32 Å²	32	37%	0.371	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	36.6	178.6	0	0	0	0	0	114.1	Y42 H177 H181	Y42-G179 VanDerWaalsContact OH-CA 3.3Å; Y42-G179 WeakPolarHBondContact OH-CA 3.44Å; Y42-G179 PolarHBondContact OH-N 3.04Å; H177-G179 PolarHBondContact O-N 2.77Å; G179-H181 PolarHBondContact O-N 2.78Å
180	E	81.2	Confident	91.9	Very high	118 Å²	118	33.2 Å²	33.2	55%	0.551	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	25.6	-179.7	-51.5	-168.5	132	0	0	114	Y125 H177	Y125-E180 HydrophobicContact CE1-CB 4.41Å; H177-E180 PolarHBondContact O-N 2.87Å
181	H	92.8	Very high	91.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.6	177.6	-171.6	76.5	0	0	0	110.7	Y42 V66 H177 G179 S183	Y42-H181 HydrophobicContact CD1-CB 3.55Å; Y42-H181 AromaticContact CD1-CD2 3.58Å; Y42-H181 AromaticContact CD1-CG 3.58Å; Y42-H181 HydrophobicContact CD2-CB 3.8Å; Y42-H181 HydrophobicContact CE1-CB 3.75Å; Y42-H181 HydrophobicContact CE2-CB 3.97Å; Y42-H181 HydrophobicContact CG-CB 3.62Å; Y42-H181 AromaticContact CG-CD2 3.86Å; Y42-H181 AromaticContact CG-CG 3.53Å; Y42-H181 AromaticContact CG-ND1 3.95Å; V66-H181 PolarHBondContact O-CE1 2.61Å; V66-H181 VanDerWaalsContact O-CE1 3.28Å; H177-H181 HydrophobicContact CB-CB 4.37Å; H177-H181 AromaticContact CD2-CD2 3.73Å; H177-H181 PolarHBondContact CD2-O 3.3Å; H177-H181 PolarHBondContact N-O 2.77Å; G179-H181 PolarHBondContact O-N 2.78Å; H181-S183 PolarHBondContact CD2-OG 3.11Å; H181-S183 PolarHBondContact NE2-OG 3.3Å
182	Y	95.7	Very high	91.7	Very high	26 Å²	26	38.4 Å²	38.4	10%	0.102	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.4	170.3	-71.6	-86.6	0	0	0	110	V66 L73 S76 I131 I144 L174 A175 Y176	V66-Y182 WeakPolarHBondContact CG2-O 3.37Å; L73-Y182 HydrophobicContact CB-CD2 3.8Å; L73-Y182 HydrophobicContact CB-CE2 4.23Å; L73-Y182 HydrophobicContact CB-CG 4.3Å; L73-Y182 HydrophobicContact CD1-CD1 4.07Å; L73-Y182 HydrophobicContact CD1-CD2 4.03Å; L73-Y182 HydrophobicContact CD1-CE1 4.15Å; L73-Y182 HydrophobicContact CD1-CE2 4.12Å; L73-Y182 HydrophobicContact CD1-CG 4Å; L73-Y182 HydrophobicContact CG-CD2 4.45Å; S76-Y182 PolarHBondContact OG-O 2.92Å; S76-Y182 VanDerWaalsContact OG-O 3.13Å; I131-Y182 HydrophobicContact CD1-CE1 4.36Å; I144-Y182 HydrophobicContact CD1-CE1 4.27Å; L174-Y182 HydrophobicContact CB-CD1 4.4Å; L174-Y182 HydrophobicContact CD1-CD1 4.22Å; A175-Y182 CarbonylContact O-C 3.59Å; A175-Y182 VanDerWaalsContact O-CA 3.29Å; A175-Y182 WeakPolarHBondContact O-CA 3.35Å; Y176-Y182 HydrophobicContact CD2-CD1 4.02Å; Y176-Y182 HydrophobicContact CD2-CD2 4.28Å; Y176-Y182 AromaticContact CD2-CE1 3.54Å; Y176-Y182 HydrophobicContact CD2-CE1 3.54Å; Y176-Y182 AromaticContact CD2-CE2 3.84Å; Y176-Y182 HydrophobicContact CD2-CE2 3.84Å; Y176-Y182 HydrophobicContact CD2-CG 4.38Å; Y176-Y182 AromaticContact CD2-CZ 3.43Å; Y176-Y182 VanDerWaalsContact CD2-CZ 3.43Å; Y176-Y182 HydrophobicContact CE2-CE1 4.39Å; Y176-Y182 AromaticContact CE2-CE2 3.97Å; Y176-Y182 HydrophobicContact CE2-CE2 3.97Å; Y176-Y182 AromaticContact CE2-CZ 3.83Å; Y176-Y182 HydrophobicContact CG-CE1 4.31Å
183	S	95.9	Very high	91.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.1	166.7	-48.4	0	0	0	0	110.7	S76 L174 A175 H177 H181	S76-S183 VanDerWaalsContact OG-C 3.27Å; S76-S183 VanDerWaalsContact OG-CA 3.3Å; S76-S183 WeakPolarHBondContact OG-CA 3.39Å; L174-S183 CarbonylContact C-O 3.54Å; L174-S183 WeakPolarHBondContact CA-O 3.47Å; A175-S183 PolarHBondContact N-O 2.97Å; A175-S183 PolarHBondContact O-N 3.5Å; H177-S183 PolarHBondContact NE2-OG 2.56Å; H181-S183 PolarHBondContact CD2-OG 3.11Å; H181-S183 PolarHBondContact NE2-OG 3.3Å
184	S	97.4	Very high	91.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	137.2	171.9	177.5	0	0	0	0	109.3	F63 R64 S76 D79 Q80	F63-S184 CarbonylContact C-O 3.58Å; F63-S184 VanDerWaalsContact CA-O 3.24Å; F63-S184 WeakPolarHBondContact CA-O 3.42Å; R64-S184 PolarHBondContact N-O 3.3Å; R64-S184 PolarHBondContact O-N 2.86Å; S76-S184 PolarHBondContact OG-N 2.89Å; D79-S184 VanDerWaalsContact OD2-CB 3.3Å; D79-S184 WeakPolarHBondContact OD2-CB 3.5Å; D79-S184 PolarHBondContact OD2-OG 3Å; Q80-S184 PolarHBondContact NE2-OG 3.27Å
185	V	96.9	Very high	91.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.8	174.1	174.1	0	0	0	0	108.9	L56 L61 D62 Q80 H173 L174 A175 I198	L56-V185 HydrophobicContact CD1-CG1 4.39Å; L56-V185 HydrophobicContact CD1-CG2 4.06Å; L56-V185 HydrophobicContact CD2-CG1 4.41Å; L61-V185 HydrophobicContact CB-CG1 3.91Å; L61-V185 HydrophobicContact CD1-CG1 3.95Å; L61-V185 HydrophobicContact CG-CG1 4.36Å; D62-V185 WeakPolarHBondContact O-CA 3.5Å; Q80-V185 PolarHBondContact NE2-O 3.27Å; H173-V185 HydrophobicContact CB-CB 3.83Å; H173-V185 HydrophobicContact CB-CG1 4.15Å; H173-V185 PolarHBondContact O-N 3.44Å; L174-V185 VanDerWaalsContact C-CG2 3.49Å; A175-V185 HydrophobicContact CB-CG2 3.58Å; V185-I198 WeakPolarHBondContact O-CD1 3.42Å
186	R	95.2	Very high	91.1	Very high	4 Å²	4	51 Å²	51	2%	0.015	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	172	-179	-58.2	-163	75.7	101.4	-0.9	110.4	L61 D62 R64 D79 D190 N194 T196	L61-R186 CarbonylContact C-O 3.55Å; L61-R186 WeakPolarHBondContact CA-O 3.35Å; D62-R186 PolarHBondContact N-O 3.36Å; D62-R186 PolarHBondContact O-N 2.93Å; D62-R186 VanDerWaalsContact O-O 3.14Å; R64-R186 HydrophobicContact CB-CG 4.32Å; R64-R186 VanDerWaalsContact NE-CD 3.29Å; R64-R186 VanDerWaalsContact NH2-CD 3.32Å; D79-R186 PolarHBondContact O-NH1 3.04Å; D79-R186 VanDerWaalsContact O-NH1 3.13Å; D79-R186 IonicContact OD1-NH1 2.82Å; D79-R186 WeakPolarHBondContact OD2-CD 3.41Å; D79-R186 IonicContact OD2-CZ 3.83Å; D79-R186 IonicContact OD2-NH1 2.77Å; D79-R186 PolarHBondContact OD2-NH1 3.19Å; R186-D190 HydrophobicContact CB-CB 4.45Å; R186-D190 IonicContact CZ-OD2 3.29Å; R186-D190 VanDerWaalsContact CZ-OD2 3.24Å; R186-D190 IonicContact NE-OD2 2.91Å; R186-D190 PolarHBondContact NE-OD2 3.45Å; R186-D190 IonicContact NH2-OD1 3.93Å; R186-D190 IonicContact NH2-OD2 2.77Å; R186-D190 PolarHBondContact NH2-OD2 3.28Å; R186-N194 PolarHBondContact NH2-O 3.31Å; R186-T196 HydrophobicContact CG-CG2 3.99Å; R186-T196 VanDerWaalsContact NH1-CG2 3.33Å
187	V	93.7	Very high	90.8	Very high	36 Å²	36	57.9 Å²	57.9	22%	0.218	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	139	168.2	175	0	0	0	0	108.3	G189 D190 I198 Y222	V187-G189 PolarHBondContact O-N 2.81Å; V187-G189 VanDerWaalsContact O-N 3.14Å; V187-D190 HydrophobicContact CB-CB 3.79Å; V187-D190 HydrophobicContact CG1-CB 4.47Å; V187-D190 WeakPolarHBondContact O-CB 3.17Å; V187-D190 PolarHBondContact O-N 2.95Å; V187-I198 HydrophobicContact CG2-CD1 4.46Å; V187-I198 HydrophobicContact CG2-CG1 3.82Å; V187-Y222 HydrophobicContact CB-CE1 3.94Å; V187-Y222 WeakPolarHBondContact CB-OH 3.46Å; V187-Y222 HydrophobicContact CG1-CD1 4.48Å; V187-Y222 HydrophobicContact CG1-CE1 3.43Å; V187-Y222 VanDerWaalsContact CG1-CE1 3.43Å; V187-Y222 VanDerWaalsContact CG1-CZ 3.47Å; V187-Y222 WeakPolarHBondContact CG1-OH 3.46Å; V187-Y222 HydrophobicContact CG2-CE1 3.35Å; V187-Y222 WeakPolarHBondContact CG2-OH 3.35Å
188	F	88.7	Confident	90.7	Very high	119 Å²	119	58.2 Å²	58.2	52%	0.522	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	122.4	176.7	-177.1	-89.4	0	0	0	110.3	N57 G60 D62	N57-F188 WeakPolarHBondContact OD1-CD2 3.26Å; G60-F188 WeakPolarHBondContact O-CB 3.32Å; G60-F188 PolarHBondContact O-N 2.81Å; D62-F188 HydrophobicContact CB-CD2 4.13Å
189	G	89	Confident	91	Very high	54 Å²	54	57.8 Å²	57.8	56%	0.557	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-3.4	-177.3	0	0	0	0	0	116	V187 N191	V187-G189 PolarHBondContact O-N 2.81Å; V187-G189 VanDerWaalsContact O-N 3.14Å; G189-N191 PolarHBondContact O-N 3.28Å; G189-N191 VanDerWaalsContact O-N 3.09Å
190	D	90.7	Very high	91.2	Very high	38 Å²	38	56.9 Å²	56.9	20%	0.203	30%	0.297	C	S	.	.			trans	-75.9	99.2	176.2	174.8	24	0	0	0	112	R64 R186 V187 S192	R64-D190 PolarHBondContact NH2-O 3Å; R186-D190 HydrophobicContact CB-CB 4.45Å; R186-D190 IonicContact CZ-OD2 3.29Å; R186-D190 VanDerWaalsContact CZ-OD2 3.24Å; R186-D190 IonicContact NE-OD2 2.91Å; R186-D190 PolarHBondContact NE-OD2 3.45Å; R186-D190 IonicContact NH2-OD1 3.93Å; R186-D190 IonicContact NH2-OD2 2.77Å; R186-D190 PolarHBondContact NH2-OD2 3.28Å; V187-D190 HydrophobicContact CB-CB 3.79Å; V187-D190 HydrophobicContact CG1-CB 4.47Å; V187-D190 WeakPolarHBondContact O-CB 3.17Å; V187-D190 PolarHBondContact O-N 2.95Å; D190-S192 WeakPolarHBondContact OD1-CB 3.29Å; D190-S192 PolarHBondContact OD1-N 3.27Å; D190-S192 PolarHBondContact OD1-OG 3.1Å
191	N	88.9	Confident	90.4	Very high	143 Å²	143	55.4 Å²	55.4	77%	0.765	30%	0.299	S	S	*	.			trans	-103.3	16.1	173.3	-65.3	-49.6	0	0	0	112.8	G189	G189-N191 PolarHBondContact O-N 3.28Å; G189-N191 VanDerWaalsContact O-N 3.09Å
192	S	92.5	Very high	88.6	Confident	40 Å²	40	57.5 Å²	57.5	28%	0.28	31%	0.31	S	S	.	.			trans	-71.1	157	-179.6	72.1	0	0	0	0	112.2	R64 D190 N194	R64-S192 PolarHBondContact NH1-O 2.96Å; R64-S192 VanDerWaalsContact NH1-O 3.1Å; R64-S192 PolarHBondContact NH2-O 2.81Å; D190-S192 WeakPolarHBondContact OD1-CB 3.29Å; D190-S192 PolarHBondContact OD1-N 3.27Å; D190-S192 PolarHBondContact OD1-OG 3.1Å; S192-N194 PolarHBondContact O-N 2.95Å
193	S	93.9	Very high	86.1	Confident	94 Å²	94	59 Å²	59	66%	0.657	32%	0.324	S	S	*	.	S	Bend	trans	-90.4	26.4	170.6	59.4	0	0	0	0	112.3	G83	G83-S193 WeakPolarHBondContact O-CA 3.34Å
194	N	94.6	Very high	83.1	Confident	99 Å²	99	63 Å²	63	53%	0.529	35%	0.349	S	S	.	.	S	Bend	trans	-100.6	154.8	179.3	-66.5	-40.7	0	0	0	110.9	G83 R186 S192	G83-N194 VanDerWaalsContact CA-C 3.47Å; G83-N194 WeakPolarHBondContact CA-O 3.47Å; R186-N194 PolarHBondContact NH2-O 3.31Å; S192-N194 PolarHBondContact O-N 2.95Å
195	P	94.7	Very high	80.1	Confident	67 Å²	67	69.1 Å²	69.1	44%	0.435	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-54.4	145.2	168.5	-24.9	34.5	0	0	0	112	Q80 L81	Q80-P195 WeakPolarHBondContact O-CA 3.44Å; L81-P195 WeakPolarHBondContact O-CB 3.35Å; L81-P195 VanDerWaalsContact O-CG 3.27Å; L81-P195 WeakPolarHBondContact O-CG 3.33Å
196	T	93.4	Very high	77	Confident	10 Å²	10	76.6 Å²	76.6	6%	0.061	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-72.5	146.3	176.9	50	0	0	0	0	112	Q80 R186	Q80-T196 WeakPolarHBondContact CA-OG1 3.44Å; Q80-T196 VanDerWaalsContact NE2-CG2 3.31Å; Q80-T196 PolarHBondContact O-N 3.42Å; Q80-T196 PolarHBondContact O-OG1 3.34Å; Q80-T196 VanDerWaalsContact O-OG1 3.1Å; Q80-T196 PolarHBondContact OE1-OG1 3.22Å; R186-T196 HydrophobicContact CG-CG2 3.99Å; R186-T196 VanDerWaalsContact NH1-CG2 3.33Å
197	R	88.2	Confident	74.1	Confident	199 Å²	199	81.1 Å²	81.1	75%	0.751	45%	0.453	S	S	*	.			trans	-128.9	31.7	175.4	-64.4	-172.7	176.3	166.3	-0.2	112.9	R199	R197-R199 PolarHBondContact O-N 2.6Å
198	I	90	Very high	71.1	Confident	8 Å²	8	84 Å²	84	4%	0.041	48%	0.482	C	S	.	.			trans	-62	135.2	174.4	-59.8	161.9	0	0	0	108.2	L61 H173 V185 V187 I200	L61-I198 HydrophobicContact CD2-CD1 3.82Å; L61-I198 HydrophobicContact CD2-CG1 4.19Å; L61-I198 HydrophobicContact CD2-CG2 4.11Å; H173-I198 HydrophobicContact CB-CD1 4.31Å; H173-I198 WeakPolarHBondContact NE2-CG2 3.24Å; V185-I198 WeakPolarHBondContact O-CD1 3.42Å; V187-I198 HydrophobicContact CG2-CD1 4.46Å; V187-I198 HydrophobicContact CG2-CG1 3.82Å; I198-I200 HydrophobicContact CG2-CG1 4.13Å
199	R	83.8	Confident	68.3	Low	121 Å²	121	83.1 Å²	83.1	46%	0.457	49%	0.49	S	S	.	.			trans	-130.3	112.6	166.7	-70.2	-170.1	177.2	-163.6	-1.7	108.5	S167 T168 R197	S167-R199 PolarHBondContact O-NH1 3.13Å; T168-R199 PolarHBondContact O-NH2 3.01Å; R197-R199 PolarHBondContact O-N 2.6Å
200	I	78.3	Confident	65.4	Low	18 Å²	18	86.4 Å²	86.4	9%	0.092	50%	0.503	C	S	.	.			trans	-92.6	127.5	165.3	-57.8	178.8	0	0	0	106.2	L61 Q171 H173 I198 L202 Y253 F254	L61-I200 HydrophobicContact CD1-CD1 4.18Å; Q171-I200 PolarHBondContact NE2-O 3.19Å; Q171-I200 PolarHBondContact OE1-O 3.16Å; H173-I200 VanDerWaalsContact CE1-CD1 3.46Å; H173-I200 WeakPolarHBondContact CE1-CD1 3.22Å; I198-I200 HydrophobicContact CG2-CG1 4.13Å; I200-L202 PolarHBondContact O-N 3.1Å; I200-L202 VanDerWaalsContact O-N 3.1Å; I200-Y253 HydrophobicContact CG2-CE1 3.97Å; I200-F254 HydrophobicContact CG2-CZ 4.18Å
201	C	63.7	Low	62.5	Low	86 Å²	86	89.8 Å²	89.8	58%	0.581	54%	0.536	S	S	*	.			trans	-57.1	118.8	-176.7	-145.4	0	0	0	0	109.7	S203	C201-S203 PolarHBondContact O-N 2.98Å; C201-S203 VanDerWaalsContact O-N 3.1Å
202	L	54.8	Low	59.8	Low	45 Å²	45	88 Å²	88	24%	0.236	54%	0.535	C	S	.	.			trans	-79	24.1	175.2	-61.3	178.1	0	0	0	111.6	Y141 I200 T204 F254	Y141-L202 HydrophobicContact CD2-CD1 4.14Å; Y141-L202 HydrophobicContact CE1-CD1 4.35Å; Y141-L202 HydrophobicContact CE2-CD1 3.93Å; Y141-L202 HydrophobicContact CG-CD1 4.44Å; I200-L202 PolarHBondContact O-N 3.1Å; I200-L202 VanDerWaalsContact O-N 3.1Å; L202-T204 PolarHBondContact O-N 3.01Å; L202-F254 HydrophobicContact CD2-CD2 3.83Å; L202-F254 HydrophobicContact CD2-CE1 4.29Å; L202-F254 HydrophobicContact CD2-CE2 3.21Å; L202-F254 HydrophobicContact CD2-CZ 3.47Å; L202-F254 VanDerWaalsContact CD2-CZ 3.47Å; L202-F254 HydrophobicContact CG-CE2 4.4Å
203	S	44.7	Very low	56.7	Low	57 Å²	57	93.6 Å²	93.6	40%	0.399	56%	0.561	S	S	.	*			trans	-50.9	104.7	-145.9	9.6	0	0	0	0	114.5	C201 D205 N250	C201-S203 PolarHBondContact O-N 2.98Å; C201-S203 VanDerWaalsContact O-N 3.1Å; S203-D205 VanDerWaalsContact C-N 3.31Å; S203-D205 PolarHBondContact O-N 2.57Å; S203-N250 PolarHBondContact O-ND2 3.1Å
204	T	32.7	Very low	53.8	Low	85 Å²	85	97 Å²	97	52%	0.521	57%	0.57	S	S	.	*			trans	-76.8	81.3	140	47.3	0	0	0	0	108.3	L202 C249	L202-T204 PolarHBondContact O-N 3.01Å; T204-C249 HydrophobicContact CG2-CB 3.19Å
205	D	33.8	Very low	50.6	Low	128 Å²	128	96.6 Å²	96.6	68%	0.684	58%	0.576	S	S	*	*			trans	-148.2	100.6	162.2	-80.9	-45.1	0	0	0	108.4	S203	S203-D205 VanDerWaalsContact C-N 3.31Å; S203-D205 PolarHBondContact O-N 2.57Å
206	N	31.1	Very low	47.5	Very low	158 Å²	158	99.9 Å²	99.9	85%	0.845	59%	0.59	S	S	*	*			trans	-103.2	69.6	165.5	-131.7	15	0	0	0	107.1
207	S	34.4	Very low	44.5	Very low	98 Å²	98	110.1 Å²	110.1	69%	0.685	63%	0.627	S	S	*	*			trans	-97.7	75.6	161.4	65	0	0	0	0	108.4	S209	S207-S209 PolarHBondContact O-N 3.22Å
208	A	31.4	Very low	41.9	Very low	98 Å²	98	109.1 Å²	109.1	81%	0.81	63%	0.628	S	S	*	*			trans	-71	82.7	162.2	0	0	0	0	0	108.8
209	S	30.1	Very low	39.1	Very low	100 Å²	100	114.6 Å²	114.6	70%	0.699	67%	0.666	S	S	*	*			trans	-166.9	81.2	161.5	61.6	0	0	0	0	112.5	S207	S207-S209 PolarHBondContact O-N 3.22Å
210	C	28.5	Very low	37	Very low	123 Å²	123	112.4 Å²	112.4	83%	0.831	67%	0.666	S	S	*	*				-178.8	109.3	123.2	51.7	0	0	0	0	109.4	S212	C210-S212 PolarHBondContact O-N 3.06Å
211	A	29.2	Very low	34.9	Very low	109 Å²	109	119 Å²	119	90%	0.901	70%	0.701	S	S	*	*			trans	-71.1	119.8	163.3	0	0	0	0	0	108.7
212	S	31.6	Very low	33.6	Very low	105 Å²	105	120.7 Å²	120.7	73%	0.734	70%	0.696	S	S	*	*			trans	-169.6	108.1	144.2	53.3	0	0	0	0	110.2	C210	C210-S212 PolarHBondContact O-N 3.06Å
213	N	27.2	Very low	32.9	Very low	157 Å²	157	123.3 Å²	123.3	84%	0.84	72%	0.718	S	S	*	*			trans	11.2	119	154.8	-58	-38.4	0	0	0	117.4
214	I	34	Very low	32.4	Very low	165 Å²	165	126.2 Å²	126.2	85%	0.846	74%	0.738	S	S	*	*				-167.9	141.8	122.5	-93.6	150.1	0	0	0	108.8
215	S	28.1	Very low	32.7	Very low	92 Å²	92	129.3 Å²	129.3	64%	0.643	75%	0.752	S	S	*	*			trans	-47.7	155.2	175	46.8	0	0	0	0	115.9
216	D	28.5	Very low	32.5	Very low	136 Å²	136	126.4 Å²	126.4	73%	0.727	75%	0.752	S	S	*	*			trans	83.1	118.1	147	-78.7	-44	0	0	0	121
217	R	31.7	Very low	32.8	Very low	224 Å²	224	124.5 Å²	124.5	85%	0.845	75%	0.751	S	S	*	*			trans	83	113.3	145.1	-63.8	176.3	-167.5	-165.1	3.6	119.5
218	K	32.6	Very low	32.7	Very low	179 Å²	179	127.3 Å²	127.3	78%	0.778	76%	0.759	S	S	*	*			trans	-35.1	128.8	150.6	-75.2	175.2	171.7	-179.9	0	111.6
219	C	30.7	Very low	32.8	Very low	123 Å²	123	130.5 Å²	130.5	83%	0.831	76%	0.762	S	S	*	*			trans	-152.6	136.8	147.4	-70.2	0	0	0	0	109.6
220	V	39.5	Very low	32.9	Very low	74 Å²	74	135.5 Å²	135.5	45%	0.448	77%	0.771	S	S	.	*			trans	-83.4	132.5	168.6	-154.8	0	0	0	0	106.3	Y222	V220-Y222 PolarHBondContact O-N 3.45Å
221	D	35.6	Very low	32.8	Very low	157 Å²	157	137 Å²	137	84%	0.84	77%	0.771	S	S	*	*			trans	-67.6	119.1	-176.9	-94.4	-28.5	0	0	0	111.5
222	Y	35.9	Very low	33	Very low	122 Å²	122	136.8 Å²	136.8	48%	0.478	76%	0.763	S	S	.	*			trans	-100.5	109.9	173.8	-92	-80.4	0	0	0	109.5	G60 V187 V220	G60-Y222 PolarHBondContact O-OH 3.34Å; V187-Y222 HydrophobicContact CB-CE1 3.94Å; V187-Y222 WeakPolarHBondContact CB-OH 3.46Å; V187-Y222 HydrophobicContact CG1-CD1 4.48Å; V187-Y222 HydrophobicContact CG1-CE1 3.43Å; V187-Y222 VanDerWaalsContact CG1-CE1 3.43Å; V187-Y222 VanDerWaalsContact CG1-CZ 3.47Å; V187-Y222 WeakPolarHBondContact CG1-OH 3.46Å; V187-Y222 HydrophobicContact CG2-CE1 3.35Å; V187-Y222 WeakPolarHBondContact CG2-OH 3.35Å; V220-Y222 PolarHBondContact O-N 3.45Å
223	S	38.9	Very low	32.8	Very low	100 Å²	100	139 Å²	139	70%	0.699	77%	0.765	S	S	*	*			trans	-97.3	97.6	166.3	-57.5	0	0	0	0	109.6
224	S	36.3	Very low	33.1	Very low	117 Å²	117	140.1 Å²	140.1	82%	0.818	77%	0.765	S	S	*	*			trans	-98.1	95.4	162.4	-179.6	0	0	0	0	107.9	G226	S224-G226 PolarHBondContact O-N 2.84Å
225	D	38.1	Very low	32.8	Very low	151 Å²	151	136.4 Å²	136.4	81%	0.807	75%	0.753	S	S	*	*			trans	-77.3	119.8	173.1	-87	-17.5	0	0	0	110.4
226	G	29.9	Very low	32.8	Very low	67 Å²	67	137.6 Å²	137.6	69%	0.691	76%	0.76	S	S	*	*			trans	-157.1	83	167.3	0	0	0	0	0	110.1	S224	S224-G226 PolarHBondContact O-N 2.84Å
227	S	37.4	Very low	32.7	Very low	117 Å²	117	139.2 Å²	139.2	82%	0.818	76%	0.761	S	S	*	*			trans	168.3	128.2	138.4	54.5	0	0	0	0	110.5	D229	S227-D229 PolarHBondContact O-N 2.86Å
228	D	32.6	Very low	32.5	Very low	158 Å²	158	135.8 Å²	135.8	85%	0.845	76%	0.759	S	S	*	*			trans	-54.4	128.4	169.8	-61.3	-63.2	0	0	0	111.3
229	D	33.3	Very low	32.2	Very low	165 Å²	165	133.1 Å²	133.1	88%	0.882	76%	0.762	S	S	*	*			trans	-153.1	125.8	144.5	-98.3	-32.3	0	0	0	111.2	S227	S227-D229 PolarHBondContact O-N 2.86Å
230	K	30.7	Very low	31.9	Very low	205 Å²	205	135.3 Å²	135.3	89%	0.891	77%	0.765	S	S	*	*			trans	-75.9	149.5	177.7	-68.2	-179.6	177.8	174.2	0	109.2
231	N	27.8	Very low	31.2	Very low	155 Å²	155	143 Å²	143	83%	0.829	79%	0.786	S	S	*	*			trans	98.7	87.5	152.9	-145	37.4	0	0	0	116.6
232	S	32.3	Very low	30.8	Very low	104 Å²	104	147 Å²	147	73%	0.727	79%	0.79	S	S	*	*			trans	-161.7	114.1	133.1	-165.9	0	0	0	0	111.1
233	I	27.9	Very low	30.5	Very low	152 Å²	152	145.5 Å²	145.5	78%	0.779	80%	0.797	S	S	*	*			trans	-79.3	114.5	170.4	-69.7	165.1	0	0	0	107.1
234	H	34.1	Very low	29.9	Very low	180 Å²	180	147.9 Å²	147.9	83%	0.833	80%	0.802	S	S	*	*			trans	-133.5	112.2	157.9	-94.6	-77.5	0	0	0	111.5
235	S	27.7	Very low	29.5	Very low	87 Å²	87	150.8 Å²	150.8	61%	0.608	80%	0.803	S	S	*	*			trans	-56.6	121.5	179.8	144.6	0	0	0	0	113.3
236	C	28.2	Very low	29.2	Very low	117 Å²	117	152.3 Å²	152.3	79%	0.791	81%	0.809	S	S	*	*			trans	-91.4	105.2	158.6	-171.8	0	0	0	0	109.1
237	K	26.4	Very low	29.4	Very low	170 Å²	170	153.3 Å²	153.3	74%	0.739	81%	0.805	S	S	*	*			trans	-91.7	135.7	160.3	-70.7	175.8	-179.4	177.8	0	106.9
238	N	26.2	Very low	29	Very low	152 Å²	152	155.6 Å²	155.6	81%	0.813	81%	0.808	S	S	*	*			trans	94.5	87.3	175.2	-55	-20.1	0	0	0	116.1
239	C	27.5	Very low	29.1	Very low	123 Å²	123	152.1 Å²	152.1	83%	0.831	80%	0.796	S	S	*	*				-170.2	63	125.8	50.7	0	0	0	0	111.2
240	D	24	Very low	29.1	Very low	168 Å²	168	148.5 Å²	148.5	90%	0.898	78%	0.776	S	S	*	*			trans	-79.2	131.7	150.1	-74.4	-43.9	0	0	0	107.5
241	R	25.5	Very low	29.8	Very low	237 Å²	237	143 Å²	143	89%	0.894	76%	0.76	S	S	*	*			trans	121.4	86.4	160.6	-162.4	178.9	-158.9	168.1	4.1	115.2
242	W	27.2	Very low	30.7	Very low	241 Å²	241	141.6 Å²	141.6	91%	0.913	75%	0.752	S	S	*	*				-164.9	115.4	120.9	-147.9	-75.7	0	0	0	110.6
243	S	28.9	Very low	31.4	Very low	90 Å²	90	141.9 Å²	141.9	63%	0.629	74%	0.738	S	S	*	*			trans	-92.4	150.3	169.2	-52.7	0	0	0	0	109.8
244	N	26.7	Very low	32.4	Very low	149 Å²	149	135.2 Å²	135.2	80%	0.797	70%	0.703	S	S	*	*			trans	87.9	131.1	160	-54.6	-35.4	0	0	0	117.5
245	E	26.9	Very low	33.4	Very low	179 Å²	179	130.3 Å²	130.3	84%	0.836	68%	0.681	S	S	*	*			trans	101	67.5	172	-60.5	-174.9	169.6	0	0	116.8	S247	E245-S247 VanDerWaalsContact C-N 3.33Å; E245-S247 PolarHBondContact O-N 2.78Å; E245-S247 VanDerWaalsContact O-N 3.17Å
246	I	32.9	Very low	34.3	Very low	182 Å²	182	129.4 Å²	129.4	93%	0.933	67%	0.672	S	S	*	*			trans	-83.3	86.4	159.9	-58.4	175.5	0	0	0	107.6
247	S	32.7	Very low	35.1	Very low	89 Å²	89	128.3 Å²	128.3	62%	0.622	65%	0.654	S	S	*	*			trans	-124.4	128.9	163.4	67	0	0	0	0	109.1	E245	E245-S247 VanDerWaalsContact C-N 3.33Å; E245-S247 PolarHBondContact O-N 2.78Å; E245-S247 VanDerWaalsContact O-N 3.17Å
248	N	29.5	Very low	35.8	Very low	164 Å²	164	124.4 Å²	124.4	88%	0.877	65%	0.646	S	S	*	*			trans	67.9	93.3	172.1	-60.5	-15.7	0	0	0	117.6
249	C	34.7	Very low	36.4	Very low	86 Å²	86	120.9 Å²	120.9	58%	0.581	62%	0.624	S	S	*	*			trans	-84.9	145.8	156.9	67.4	0	0	0	0	111.2	T204 T251	T204-C249 HydrophobicContact CG2-CB 3.19Å; C249-T251 PolarHBondContact O-N 3.41Å; C249-T251 PolarHBondContact O-OG1 2.86Å
250	N	34.4	Very low	36.9	Very low	89 Å²	89	122.5 Å²	122.5	48%	0.476	62%	0.619	S	S	.	*			trans	-49.9	101	179.9	-91.1	-36.4	0	0	0	113	S203 D252	S203-N250 PolarHBondContact O-ND2 3.1Å; N250-D252 PolarHBondContact O-N 2.77Å
251	T	44	Very low	37.7	Very low	90 Å²	90	123.7 Å²	123.7	55%	0.552	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-2.6	172.4	-36.2	0	0	0	0	112.2	C249	C249-T251 PolarHBondContact O-N 3.41Å; C249-T251 PolarHBondContact O-OG1 2.86Å
252	D	47.1	Very low	38.4	Very low	124 Å²	124	122.3 Å²	122.3	66%	0.663	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-22.3	-167.7	-82	-5	0	0	0	114.8	K150 N250	K150-D252 PolarHBondContact NZ-O 2.91Å; N250-D252 PolarHBondContact O-N 2.77Å
253	Y	46.4	Very low	39.4	Very low	111 Å²	111	112.8 Å²	112.8	44%	0.435	58%	0.578	S	S	.	*	S	Bend	trans	-86.4	-40.6	177.7	-164.9	-87.8	0	0	0	112.3	I200	I200-Y253 HydrophobicContact CG2-CE1 3.97Å
254	F	49	Very low	41.1	Very low	11 Å²	11	111 Å²	111	5%	0.048	57%	0.566	C	S	.	*	S	Bend	trans	-110	131.3	-179.6	-63.4	-83.1	0	0	0	111.1	I143 P151 L153 I200 L202 T256	I143-F254 HydrophobicContact CD1-CE1 4.19Å; I143-F254 HydrophobicContact CD1-CZ 4.49Å; I143-F254 HydrophobicContact CG1-CE1 4.31Å; I143-F254 HydrophobicContact CG2-CE1 4.03Å; P151-F254 HydrophobicContact CB-CD1 4.04Å; P151-F254 HydrophobicContact CB-CE1 3.97Å; P151-F254 WeakPolarHBondContact O-CA 3.28Å; L153-F254 HydrophobicContact CB-CB 3.9Å; L153-F254 HydrophobicContact CB-CD1 4.42Å; L153-F254 HydrophobicContact CB-CG 4.27Å; I200-F254 HydrophobicContact CG2-CZ 4.18Å; L202-F254 HydrophobicContact CD2-CD2 3.83Å; L202-F254 HydrophobicContact CD2-CE1 4.29Å; L202-F254 HydrophobicContact CD2-CE2 3.21Å; L202-F254 HydrophobicContact CD2-CZ 3.47Å; L202-F254 VanDerWaalsContact CD2-CZ 3.47Å; L202-F254 HydrophobicContact CG-CE2 4.4Å; F254-T256 PolarHBondContact O-N 3.13Å
255	Q	55.6	Low	43	Very low	77 Å²	77	112.8 Å²	112.8	36%	0.36	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.4	130	163.6	-68.8	179	-10	0	0	108.2	P151 W152 L153	P151-Q255 PolarHBondContact O-N 3.39Å; W152-Q255 WeakPolarHBondContact CA-O 3.39Å; W152-Q255 HydrophobicContact CD2-CB 3.54Å; W152-Q255 HydrophobicContact CE3-CB 3.43Å; W152-Q255 VanDerWaalsContact CE3-CB 3.43Å; W152-Q255 HydrophobicContact CG-CB 4.2Å; W152-Q255 HydrophobicContact CH2-CB 3.92Å; W152-Q255 HydrophobicContact CZ2-CB 4.04Å; W152-Q255 HydrophobicContact CZ3-CB 3.63Å; L153-Q255 PolarHBondContact N-O 2.88Å
256	T	47.4	Very low	45.1	Very low	68 Å²	68	111.5 Å²	111.5	42%	0.417	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113	140.4	179.6	54.3	0	0	0	0	110.1	L153 F254	L153-T256 HydrophobicContact CB-CG2 4.25Å; L153-T256 HydrophobicContact CD2-CG2 4.37Å; F254-T256 PolarHBondContact O-N 3.13Å
257	F	44.4	Very low	46	Very low	94 Å²	94	105.8 Å²	105.8	41%	0.412	53%	0.527	S	S	.	.			trans	-73.4	134.4	166.5	-87.6	-87.9	0	0	0	109.5	H128 W152 F259	H128-F257 AromaticContact CE1-CD2 3.68Å; H128-F257 AromaticContact CE1-CG 3.67Å; W152-F257 AromaticContact CE3-CD2 3.95Å; W152-F257 HydrophobicContact CE3-CD2 3.95Å; W152-F257 AromaticContact CE3-CE2 3.81Å; W152-F257 HydrophobicContact CE3-CE2 3.81Å; W152-F257 HydrophobicContact CZ3-CD2 4.04Å; W152-F257 AromaticContact CZ3-CE2 3.88Å; W152-F257 HydrophobicContact CZ3-CE2 3.88Å; W152-F257 HydrophobicContact CZ3-CZ 4.34Å; F257-F259 VanDerWaalsContact C-N 3.31Å; F257-F259 PolarHBondContact O-N 2.82Å
258	P	40.2	Very low	47.4	Very low	89 Å²	89	107.4 Å²	107.4	58%	0.578	52%	0.523	S	S	*	.	S	Bend	trans	-74.7	81.2	-176.7	29.9	-34.2	0	0	0	110.7
259	F	39.5	Very low	49	Very low	78 Å²	78	109 Å²	109	34%	0.342	52%	0.516	S	S	.	.			trans	-117.8	-6.6	-179.7	-112.7	-90.6	0	0	0	115.4	F109 F257	F109-F259 HydrophobicContact CD1-CZ 4.04Å; F109-F259 HydrophobicContact CD2-CE1 4.38Å; F109-F259 AromaticContact CD2-CZ 3.95Å; F109-F259 HydrophobicContact CD2-CZ 3.95Å; F109-F259 HydrophobicContact CE1-CE1 4.11Å; F109-F259 AromaticContact CE1-CE2 3.93Å; F109-F259 HydrophobicContact CE1-CE2 3.93Å; F109-F259 AromaticContact CE1-CZ 3.36Å; F109-F259 HydrophobicContact CE1-CZ 3.36Å; F109-F259 AromaticContact CE2-CE1 3.39Å; F109-F259 HydrophobicContact CE2-CE1 3.39Å; F109-F259 AromaticContact CE2-CZ 3.27Å; F109-F259 HydrophobicContact CE2-CZ 3.27Å; F109-F259 HydrophobicContact CG-CZ 4.31Å; F109-F259 HydrophobicContact CZ-CD1 4.4Å; F109-F259 AromaticContact CZ-CE1 3.25Å; F109-F259 HydrophobicContact CZ-CE1 3.25Å; F109-F259 AromaticContact CZ-CE2 3.91Å; F109-F259 HydrophobicContact CZ-CE2 3.91Å; F109-F259 AromaticContact CZ-CZ 2.95Å; F109-F259 HydrophobicContact CZ-CZ 2.95Å; F257-F259 VanDerWaalsContact C-N 3.31Å; F257-F259 PolarHBondContact O-N 2.82Å
260	H	37.8	Very low	50.4	Low	157 Å²	157	110.4 Å²	110.4	73%	0.727	52%	0.515	S	S	*	.	S	Bend	trans	-99.3	6.5	-173.4	-78.3	-68.1	0	0	0	116.5	T156	T156-H260 PolarHBondContact OG1-NE2 3.17Å
261	R	40.8	Very low	51.1	Low	193 Å²	193	108.2 Å²	108.2	73%	0.728	50%	0.503	S	S	*	.	S	Bend	trans	-100.5	137.7	171.9	-171.1	172.2	175.1	153.1	-1.3	110	L263	R261-L263 VanDerWaalsContact C-N 3.32Å; R261-L263 WeakPolarHBondContact O-CG 3.42Å; R261-L263 PolarHBondContact O-N 2.95Å
262	K	41.3	Very low	51.7	Low	208 Å²	208	109.6 Å²	109.6	90%	0.904	50%	0.501	S	S	*	.			trans	-61.3	98.1	164.4	-83.4	-174.4	-179.8	176.6	0	108.1	S264	K262-S264 PolarHBondContact O-N 3.1Å
263	L	48.5	Very low	52	Low	40 Å²	40	112.6 Å²	112.6	21%	0.209	50%	0.503	C	S	.	.			trans	-68.1	129.7	-178.1	-65.7	158.6	0	0	0	109.6	R261 E267 K268 L271	R261-L263 VanDerWaalsContact C-N 3.32Å; R261-L263 WeakPolarHBondContact O-CG 3.42Å; R261-L263 PolarHBondContact O-N 2.95Å; L263-E267 HydrophobicContact CB-CB 4.05Å; L263-E267 HydrophobicContact CD2-CB 3.81Å; L263-K268 HydrophobicContact CB-CG 3.72Å; L263-K268 WeakPolarHBondContact O-CE 3.4Å; L263-L271 HydrophobicContact CD1-CD1 3.23Å; L263-L271 HydrophobicContact CD2-CD1 3.62Å; L263-L271 HydrophobicContact CG-CD1 4Å
264	S	62.9	Low	52	Low	54 Å²	54	115.4 Å²	115.4	38%	0.378	51%	0.513	S	S	.	.			trans	-58.2	158.9	170.6	68.1	0	0	0	0	110.5	K262 K266 E267 K268	K262-S264 PolarHBondContact O-N 3.1Å; S264-K266 PolarHBondContact O-N 2.99Å; S264-K266 VanDerWaalsContact O-N 3.07Å; S264-E267 WeakPolarHBondContact CB-OE2 3.14Å; S264-E267 PolarHBondContact N-OE2 3.34Å; S264-E267 PolarHBondContact O-N 3.25Å; S264-E267 WeakPolarHBondContact OG-CG 3.12Å; S264-E267 PolarHBondContact OG-N 2.87Å; S264-E267 PolarHBondContact OG-OE2 3Å; S264-K268 PolarHBondContact O-N 3.07Å
265	K	67.7	Low	51.7	Low	185 Å²	185	116.9 Å²	116.9	80%	0.804	53%	0.525	S	S	*	.	H	α-helix	trans	-53.5	-31.6	175.1	-73.5	-177.4	179.1	176.4	0	112.2	R269	K265-R269 VanDerWaalsContact O-CG 3.32Å; K265-R269 WeakPolarHBondContact O-CG 3.48Å; K265-R269 PolarHBondContact O-N 3.22Å
266	K	69.8	Low	51	Low	152 Å²	152	117.5 Å²	117.5	66%	0.661	53%	0.53	S	S	*	.	H	α-helix	trans	-70.8	-45.3	177.1	-172.4	178.8	178.6	-177.2	0	111.7	S264 R269 Q270	S264-K266 PolarHBondContact O-N 2.99Å; S264-K266 VanDerWaalsContact O-N 3.07Å; K266-R269 WeakPolarHBondContact O-CB 3.2Å; K266-R269 PolarHBondContact O-N 3.39Å; K266-Q270 PolarHBondContact O-N 2.83Å
267	E	53.5	Low	50.7	Low	62 Å²	62	120.2 Å²	120.2	29%	0.29	54%	0.538	S	S	.	.	H	α-helix	trans	-68.8	-38	178.1	-68.8	160.9	126.9	0	0	111.8	L263 S264 R269 Q270 L271	L263-E267 HydrophobicContact CB-CB 4.05Å; L263-E267 HydrophobicContact CD2-CB 3.81Å; S264-E267 WeakPolarHBondContact CB-OE2 3.14Å; S264-E267 PolarHBondContact N-OE2 3.34Å; S264-E267 PolarHBondContact O-N 3.25Å; S264-E267 WeakPolarHBondContact OG-CG 3.12Å; S264-E267 PolarHBondContact OG-N 2.87Å; S264-E267 PolarHBondContact OG-OE2 3Å; E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 2.79Å; E267-Q270 PolarHBondContact O-N 3.42Å; E267-Q270 VanDerWaalsContact O-N 3.17Å; E267-L271 WeakPolarHBondContact O-CB 3.27Å; E267-L271 PolarHBondContact O-N 3.15Å
268	K	60.7	Low	50.3	Low	124 Å²	124	121.7 Å²	121.7	54%	0.539	55%	0.549	S	S	.	.	H	α-helix	trans	-58.8	-40.5	171.4	-69.7	-174.5	179.8	-170.5	0	111.8	L263 S264 K272	L263-K268 HydrophobicContact CB-CG 3.72Å; L263-K268 WeakPolarHBondContact O-CE 3.4Å; S264-K268 PolarHBondContact O-N 3.07Å; K268-K272 VanDerWaalsContact O-CB 3.24Å; K268-K272 WeakPolarHBondContact O-CB 3.32Å; K268-K272 PolarHBondContact O-N 3.23Å
269	R	63.6	Low	50.2	Low	196 Å²	196	121.1 Å²	121.1	74%	0.74	55%	0.547	S	S	*	.	H	α-helix	trans	-67.5	-38.5	175.1	-76	174.5	175.7	-176.9	-2	112.3	K265 K266 E267 R273	K265-R269 VanDerWaalsContact O-CG 3.32Å; K265-R269 WeakPolarHBondContact O-CG 3.48Å; K265-R269 PolarHBondContact O-N 3.22Å; K266-R269 WeakPolarHBondContact O-CB 3.2Å; K266-R269 PolarHBondContact O-N 3.39Å; E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 2.79Å; R269-R273 WeakPolarHBondContact O-CB 3.49Å; R269-R273 PolarHBondContact O-N 3.02Å
270	Q	63	Low	50.1	Low	116 Å²	116	121.7 Å²	121.7	54%	0.542	55%	0.554	S	S	.	*	H	α-helix	trans	-69.9	-41	176.3	-76.7	177.8	-18.2	0	0	112.3	K266 E267 R273 R274	K266-Q270 PolarHBondContact O-N 2.83Å; E267-Q270 PolarHBondContact O-N 3.42Å; E267-Q270 VanDerWaalsContact O-N 3.17Å; Q270-R273 CarbonylContact O-C 3.59Å; Q270-R273 WeakPolarHBondContact O-CB 3.35Å; Q270-R273 PolarHBondContact O-N 2.85Å; Q270-R274 WeakPolarHBondContact O-CB 3.25Å; Q270-R274 PolarHBondContact O-N 3.37Å
271	L	51	Low	50.2	Low	44 Å²	44	117 Å²	117	23%	0.23	54%	0.539	C	S	.	.	H	α-helix	trans	-68.3	-38.5	174.4	-82.7	157.9	0	0	0	112.1	L263 E267 R273 R274 S275	L263-L271 HydrophobicContact CD1-CD1 3.23Å; L263-L271 HydrophobicContact CD2-CD1 3.62Å; L263-L271 HydrophobicContact CG-CD1 4Å; E267-L271 WeakPolarHBondContact O-CB 3.27Å; E267-L271 PolarHBondContact O-N 3.15Å; L271-R273 VanDerWaalsContact C-N 3.29Å; L271-R273 PolarHBondContact O-N 3.2Å; L271-R274 PolarHBondContact O-N 3.41Å; L271-S275 WeakPolarHBondContact O-CB 3.42Å; L271-S275 PolarHBondContact O-N 2.96Å
272	K	54.7	Low	50.2	Low	118 Å²	118	115.8 Å²	115.8	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-62.8	-37.6	171.4	-168.8	166	-175.1	168.2	0	111.5	K268 L276	K268-K272 VanDerWaalsContact O-CB 3.24Å; K268-K272 WeakPolarHBondContact O-CB 3.32Å; K268-K272 PolarHBondContact O-N 3.23Å; K272-L276 WeakPolarHBondContact O-CB 3.22Å; K272-L276 PolarHBondContact O-N 3.21Å
273	R	53.5	Low	49.7	Very low	188 Å²	188	114.1 Å²	114.1	71%	0.709	53%	0.534	S	S	*	.	H	α-helix	trans	-64	-46.7	170.5	-98.9	-177	162.1	173.9	-5.9	112.5	R269 Q270 L271 L276 E277	R269-R273 WeakPolarHBondContact O-CB 3.49Å; R269-R273 PolarHBondContact O-N 3.02Å; Q270-R273 CarbonylContact O-C 3.59Å; Q270-R273 WeakPolarHBondContact O-CB 3.35Å; Q270-R273 PolarHBondContact O-N 2.85Å; L271-R273 VanDerWaalsContact C-N 3.29Å; L271-R273 PolarHBondContact O-N 3.2Å; R273-L276 CarbonylContact O-C 3.58Å; R273-L276 WeakPolarHBondContact O-CA 3.47Å; R273-L276 WeakPolarHBondContact O-CB 3.16Å; R273-L276 PolarHBondContact O-N 3.19Å; R273-L276 VanDerWaalsContact O-N 3.17Å; R273-E277 WeakPolarHBondContact O-CG 3.39Å; R273-E277 PolarHBondContact O-N 2.83Å
274	R	47.1	Very low	48.9	Very low	170 Å²	170	116.9 Å²	116.9	64%	0.642	55%	0.553	S	S	*	*	H	α-helix	trans	-69.7	-35.3	-178.7	-146.3	177.4	-165.7	-176.1	2.2	112.6	Q270 L271 L276 E277 L278	Q270-R274 WeakPolarHBondContact O-CB 3.25Å; Q270-R274 PolarHBondContact O-N 3.37Å; L271-R274 PolarHBondContact O-N 3.41Å; R274-L276 VanDerWaalsContact C-N 3.35Å; R274-E277 PolarHBondContact O-N 2.9Å; R274-L278 WeakPolarHBondContact O-CB 3.34Å; R274-L278 VanDerWaalsContact O-CG 3.29Å; R274-L278 WeakPolarHBondContact O-CG 3.36Å; R274-L278 PolarHBondContact O-N 3.46Å
275	S	42.1	Very low	47.5	Very low	42 Å²	42	121.1 Å²	121.1	29%	0.294	57%	0.57	S	S	.	*	H	α-helix	trans	-68.1	-35.5	170.7	-170.2	0	0	0	0	111.2	L271 S279	L271-S275 WeakPolarHBondContact O-CB 3.42Å; L271-S275 PolarHBondContact O-N 2.96Å; S275-S279 WeakPolarHBondContact O-CB 3.39Å; S275-S279 PolarHBondContact O-N 2.9Å; S275-S279 PolarHBondContact O-OG 3.14Å
276	L	41.4	Very low	45.7	Very low	89 Å²	89	120.2 Å²	120.2	47%	0.466	57%	0.566	S	S	.	*	H	α-helix	trans	-67.5	-37.5	169	-116.9	96.8	0	0	0	111.8	K272 R273 R274 L278 S279 N280	K272-L276 WeakPolarHBondContact O-CB 3.22Å; K272-L276 PolarHBondContact O-N 3.21Å; R273-L276 CarbonylContact O-C 3.58Å; R273-L276 WeakPolarHBondContact O-CA 3.47Å; R273-L276 WeakPolarHBondContact O-CB 3.16Å; R273-L276 PolarHBondContact O-N 3.19Å; R273-L276 VanDerWaalsContact O-N 3.17Å; R274-L276 VanDerWaalsContact C-N 3.35Å; L276-L278 VanDerWaalsContact C-N 3.35Å; L276-S279 WeakPolarHBondContact CA-OG 3.21Å; L276-S279 PolarHBondContact O-N 2.99Å; L276-S279 PolarHBondContact O-OG 3.09Å; L276-S279 VanDerWaalsContact O-OG 3.08Å; L276-N280 WeakPolarHBondContact O-CA 3.45Å; L276-N280 WeakPolarHBondContact O-CB 3.35Å; L276-N280 PolarHBondContact O-N 2.93Å; L276-N280 PolarHBondContact O-ND2 2.61Å; L276-N280 PolarHBondContact O-OD1 2.77Å
277	E	40.3	Very low	43.8	Very low	126 Å²	126	116.8 Å²	116.8	59%	0.589	56%	0.561	S	S	*	*	H	α-helix	trans	-68	-35.8	176.3	-74.4	164.5	-174.7	0	0	111.5	R273 R274 N280 S281	R273-E277 WeakPolarHBondContact O-CG 3.39Å; R273-E277 PolarHBondContact O-N 2.83Å; R274-E277 PolarHBondContact O-N 2.9Å; E277-N280 CarbonylContact O-C 2.97Å; E277-S281 PolarHBondContact O-N 2.77Å
278	L	36.3	Very low	42.8	Very low	124 Å²	124	120.4 Å²	120.4	65%	0.649	58%	0.581	S	S	*	*	H	α-helix	trans	-73.7	-36.5	172.7	-71.3	166.2	0	0	0	112.2	R274 L276 S281	R274-L278 WeakPolarHBondContact O-CB 3.34Å; R274-L278 VanDerWaalsContact O-CG 3.29Å; R274-L278 WeakPolarHBondContact O-CG 3.36Å; R274-L278 PolarHBondContact O-N 3.46Å; L276-L278 VanDerWaalsContact C-N 3.35Å; L278-S281 VanDerWaalsContact O-CB 3.29Å; L278-S281 WeakPolarHBondContact O-CB 3.14Å; L278-S281 PolarHBondContact O-N 2.88Å; L278-S281 PolarHBondContact O-OG 3.36Å
279	S	38.8	Very low	41.5	Very low	77 Å²	77	119.4 Å²	119.4	54%	0.538	59%	0.59	S	S	.	*	H	α-helix	trans	-74.5	-27.2	173.2	73	0	0	0	0	112.9	S275 L276 S281	S275-S279 WeakPolarHBondContact O-CB 3.39Å; S275-S279 PolarHBondContact O-N 2.9Å; S275-S279 PolarHBondContact O-OG 3.14Å; L276-S279 WeakPolarHBondContact CA-OG 3.21Å; L276-S279 PolarHBondContact O-N 2.99Å; L276-S279 PolarHBondContact O-OG 3.09Å; L276-S279 VanDerWaalsContact O-OG 3.08Å; S279-S281 PolarHBondContact O-N 2.96Å
280	N	37.8	Very low	40	Very low	91 Å²	91	114 Å²	114	49%	0.487	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-88.1	12.9	173.5	-65.2	-14.4	0	0	0	111.9	L276 E277 E282 F283	L276-N280 WeakPolarHBondContact O-CA 3.45Å; L276-N280 WeakPolarHBondContact O-CB 3.35Å; L276-N280 PolarHBondContact O-N 2.93Å; L276-N280 PolarHBondContact O-ND2 2.61Å; L276-N280 PolarHBondContact O-OD1 2.77Å; E277-N280 CarbonylContact O-C 2.97Å; N280-E282 PolarHBondContact O-N 3.23Å; N280-E282 VanDerWaalsContact O-N 3.08Å; N280-F283 WeakPolarHBondContact O-CB 3.48Å; N280-F283 PolarHBondContact O-N 3.45Å
281	S	40.3	Very low	38.4	Very low	57 Å²	57	115.4 Å²	115.4	40%	0.399	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-66	-1.1	169.2	65.1	0	0	0	0	113.3	E277 L278 S279 F283 V284	E277-S281 PolarHBondContact O-N 2.77Å; L278-S281 VanDerWaalsContact O-CB 3.29Å; L278-S281 WeakPolarHBondContact O-CB 3.14Å; L278-S281 PolarHBondContact O-N 2.88Å; L278-S281 PolarHBondContact O-OG 3.36Å; S279-S281 PolarHBondContact O-N 2.96Å; S281-F283 PolarHBondContact O-N 3.46Å; S281-V284 PolarHBondContact O-N 3.48Å
282	E	39	Very low	37.6	Very low	169 Å²	169	122 Å²	122	79%	0.79	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-54.3	-15.9	155	-135.2	-178.2	-178.4	0	0	112.7	N280	N280-E282 PolarHBondContact O-N 3.23Å; N280-E282 VanDerWaalsContact O-N 3.08Å
283	F	32.7	Very low	36.5	Very low	172 Å²	172	127.4 Å²	127.4	75%	0.754	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-94.1	-2.9	174.5	-136.3	-94.2	0	0	0	115	N280 S281	N280-F283 WeakPolarHBondContact O-CB 3.48Å; N280-F283 PolarHBondContact O-N 3.45Å; S281-F283 PolarHBondContact O-N 3.46Å
284	V	31.7	Very low	35.7	Very low	99 Å²	99	124.4 Å²	124.4	60%	0.6	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	-11.1	177	-178.8	0	0	0	0	112.5	S281 K286	S281-V284 PolarHBondContact O-N 3.48Å; V284-K286 VanDerWaalsContact C-N 3.32Å
285	I	32.3	Very low	35.1	Very low	142 Å²	142	122 Å²	122	73%	0.728	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-12	172	-61.8	178	0	0	0	112.3
286	K	29.5	Very low	34.7	Very low	166 Å²	166	126.4 Å²	126.4	72%	0.722	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	1.3	176.5	-79	-173	177.2	178.2	0	116.1	V284	V284-K286 VanDerWaalsContact C-N 3.32Å
287	S	30.6	Very low	34.3	Very low	80 Å²	80	128.6 Å²	128.6	56%	0.559	69%	0.689	S	S	*	*	S	Bend	trans	-110.5	-1.6	-179.1	-59.6	0	0	0	0	114.6
288	I	31.8	Very low	33.9	Very low	139 Å²	139	128.8 Å²	128.8	71%	0.713	70%	0.696	S	S	*	*	S	Bend	trans	-95.6	-10.8	175.3	-62.6	177.6	0	0	0	111.7
289	S	34.7	Very low	33.8	Very low	103 Å²	103	129.1 Å²	129.1	72%	0.72	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	8.4	171.2	57	0	0	0	0	114.7
290	A	30.6	Very low	33.4	Very low	81 Å²	81	132.9 Å²	132.9	67%	0.669	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	14.7	-176.6	0	0	0	0	0	115
291	L	31.2	Very low	33.1	Very low	146 Å²	146	136.1 Å²	136.1	76%	0.764	73%	0.727	S	S	*	*	S	Bend	trans	-119.9	19.9	177	-91.3	156.3	0	0	0	113.9
292	H	32.7	Very low	32.5	Very low	182 Å²	182	142.7 Å²	142.7	84%	0.843	76%	0.755	S	S	*	*			trans	-118.2	65.3	165.9	-73.9	103	0	0	0	110.4
293	I	32.9	Very low	31.9	Very low	233 Å²	233	140.3 Å²	140.3	100%	1.195	75%	0.752	S	S	*	*			trans	-143.9	0	151.7	-60.3	-177.3	0	0	0	105.2

Retrieved 293 of 293 residues in 108.6 ms (Link to these results)

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