G4VSP0_SCHMA Loading...

Putative ecsit (Evolutionarily conserved signaling intermediate in toll pathways)

AlphaFold DB , UniProt , Accession G4VSP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 576 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	46.3	Very low	49.8	Very low	199 Å²	199	139.1 Å²	139.1	98%	0.98	64%	0.64	S	S	*	*				0	-60.9	0	-69.5	-62.3	-166.7	0	0	112.2	R3 I4 E5	M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.39Å; M1-R3 VanDerWaalsContact O-N 3.15Å; M1-I4 PolarHBondContact O-N 3.37Å; M1-E5 PolarHBondContact O-N 3.34Å
2	A	43.4	Very low	49.4	Very low	85 Å²	85	137.4 Å²	137.4	70%	0.702	64%	0.639	S	S	*	*	H	α-helix	trans	-54.5	-35.9	-177.2	0	0	0	0	0	115.9	I4 L6	A2-I4 PolarHBondContact O-N 3.35Å; A2-L6 PolarHBondContact O-N 3.13Å; A2-L6 VanDerWaalsContact O-N 3.15Å
3	R	44.6	Very low	48.9	Very low	216 Å²	216	137.8 Å²	137.8	82%	0.815	64%	0.638	S	S	*	*	H	α-helix	trans	-65.7	-32.6	177.5	-114.9	-179.5	179.2	179.3	-0.1	114	M1 I7	M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.39Å; M1-R3 VanDerWaalsContact O-N 3.15Å; R3-I7 WeakPolarHBondContact O-CD1 3.5Å; R3-I7 VanDerWaalsContact O-CG1 3.28Å; R3-I7 WeakPolarHBondContact O-CG1 3.21Å; R3-I7 PolarHBondContact O-N 2.95Å
4	I	56.4	Low	48.3	Very low	100 Å²	100	133.8 Å²	133.8	51%	0.513	63%	0.628	S	S	.	*	H	α-helix	trans	-79.4	-37.7	-177.8	-63.7	171.4	0	0	0	110.2	M1 A2 L6 I7 R8	M1-I4 PolarHBondContact O-N 3.37Å; A2-I4 PolarHBondContact O-N 3.35Å; I4-L6 VanDerWaalsContact C-N 3.33Å; I4-I7 PolarHBondContact O-N 3.24Å; I4-R8 PolarHBondContact O-N 3.39Å; I4-R8 VanDerWaalsContact O-N 3.12Å
5	E	50.6	Low	47.9	Very low	101 Å²	101	130.6 Å²	130.6	47%	0.472	62%	0.621	S	S	.	*	H	α-helix	trans	-60.9	-42.9	173.3	-146.1	73.4	-155.5	0	0	111.2	M1 I7 R8 R9	M1-E5 PolarHBondContact O-N 3.34Å; E5-I7 PolarHBondContact O-N 3.14Å; E5-R8 PolarHBondContact O-N 2.87Å; E5-R9 WeakPolarHBondContact O-CG 2.98Å; E5-R9 PolarHBondContact O-N 2.98Å
6	L	57.5	Low	47.4	Very low	110 Å²	110	128.4 Å²	128.4	58%	0.576	61%	0.613	S	S	*	*	H	α-helix	trans	-63.9	-40.9	179.4	-155.9	110.2	0	0	0	112	A2 I4 R9 L10	A2-L6 PolarHBondContact O-N 3.13Å; A2-L6 VanDerWaalsContact O-N 3.15Å; I4-L6 VanDerWaalsContact C-N 3.33Å; L6-R9 PolarHBondContact O-N 3.46Å; L6-L10 HydrophobicContact CD2-CD1 3.78Å; L6-L10 HydrophobicContact CG-CD1 4.32Å; L6-L10 WeakPolarHBondContact O-CB 3.2Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 3.39Å
7	I	59.1	Low	46.6	Very low	90 Å²	90	131.3 Å²	131.3	46%	0.462	62%	0.616	S	S	.	*	H	α-helix	trans	-67.4	-38.4	177.6	-67.2	165.8	0	0	0	111.3	R3 I4 E5 R11	R3-I7 WeakPolarHBondContact O-CD1 3.5Å; R3-I7 VanDerWaalsContact O-CG1 3.28Å; R3-I7 WeakPolarHBondContact O-CG1 3.21Å; R3-I7 PolarHBondContact O-N 2.95Å; I4-I7 PolarHBondContact O-N 3.24Å; E5-I7 PolarHBondContact O-N 3.14Å; I7-R11 WeakPolarHBondContact O-CG 3.01Å; I7-R11 PolarHBondContact O-N 3.06Å
8	R	44.9	Very low	46	Very low	178 Å²	178	134.8 Å²	134.8	67%	0.672	62%	0.623	S	S	*	*	H	α-helix	trans	-66.3	-41.7	175.6	-75.4	-177.8	176.8	176.6	-0.8	111.8	I4 E5 R11 L12	I4-R8 PolarHBondContact O-N 3.39Å; I4-R8 VanDerWaalsContact O-N 3.12Å; E5-R8 PolarHBondContact O-N 2.87Å; R8-R11 PolarHBondContact O-N 3.4Å; R8-L12 PolarHBondContact O-N 3.38Å; R8-L12 VanDerWaalsContact O-N 3.11Å
9	R	51.1	Low	46	Very low	170 Å²	170	132.7 Å²	132.7	64%	0.642	62%	0.616	S	S	*	*	H	α-helix	trans	-65.8	-44.5	175.8	-70.8	-178.2	-179.2	-159.7	-0.5	111.7	E5 L6 R11 L12 F13	E5-R9 WeakPolarHBondContact O-CG 2.98Å; E5-R9 PolarHBondContact O-N 2.98Å; L6-R9 PolarHBondContact O-N 3.46Å; R9-R11 VanDerWaalsContact C-N 3.31Å; R9-R11 PolarHBondContact O-N 3.28Å; R9-L12 PolarHBondContact O-N 3.11Å; R9-F13 WeakPolarHBondContact O-CD2 3.4Å; R9-F13 PolarHBondContact O-N 2.87Å
10	L	52	Low	45.7	Very low	100 Å²	100	128.8 Å²	128.8	52%	0.524	60%	0.604	S	S	.	*	H	α-helix	trans	-58.7	-40.4	175.1	-84.1	159	0	0	0	112.4	L6 F13 T14	L6-L10 HydrophobicContact CD2-CD1 3.78Å; L6-L10 HydrophobicContact CG-CD1 4.32Å; L6-L10 WeakPolarHBondContact O-CB 3.2Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 3.39Å; L10-F13 PolarHBondContact O-N 3.3Å; L10-T14 PolarHBondContact O-N 3.3Å; L10-T14 PolarHBondContact O-OG1 3.49Å; L10-T14 VanDerWaalsContact O-OG1 3.11Å
11	R	41.7	Very low	45.2	Very low	181 Å²	181	126.4 Å²	126.4	68%	0.683	60%	0.595	S	S	*	*	H	α-helix	trans	-65.4	-42.1	176.3	-77.9	-175.3	179	-177.8	0.4	112.6	I7 R8 R9 F13 T14 V15	I7-R11 WeakPolarHBondContact O-CG 3.01Å; I7-R11 PolarHBondContact O-N 3.06Å; R8-R11 PolarHBondContact O-N 3.4Å; R9-R11 VanDerWaalsContact C-N 3.31Å; R9-R11 PolarHBondContact O-N 3.28Å; R11-F13 VanDerWaalsContact C-N 3.34Å; R11-T14 WeakPolarHBondContact CA-OG1 3.21Å; R11-T14 PolarHBondContact O-N 3.47Å; R11-T14 PolarHBondContact O-OG1 2.86Å; R11-V15 WeakPolarHBondContact O-CG2 3.44Å; R11-V15 PolarHBondContact O-N 3.37Å
12	L	44.7	Very low	44.8	Very low	119 Å²	119	120.9 Å²	120.9	62%	0.623	58%	0.575	S	S	*	*	H	α-helix	trans	-63.8	-41.6	176.5	-145.7	104.5	0	0	0	111.2	R8 R9 V15 L16	R8-L12 PolarHBondContact O-N 3.38Å; R8-L12 VanDerWaalsContact O-N 3.11Å; R9-L12 PolarHBondContact O-N 3.11Å; L12-V15 PolarHBondContact O-N 3.2Å; L12-L16 HydrophobicContact CD2-CD1 4.32Å; L12-L16 PolarHBondContact O-N 3.33Å
13	F	42.9	Very low	44.4	Very low	143 Å²	143	123.7 Å²	123.7	63%	0.627	57%	0.574	S	S	*	*	H	α-helix	trans	-66.4	-37.3	176.2	-90.9	-77.2	0	0	0	113.2	R9 L10 R11 V15 L16 R17	R9-F13 WeakPolarHBondContact O-CD2 3.4Å; R9-F13 PolarHBondContact O-N 2.87Å; L10-F13 PolarHBondContact O-N 3.3Å; R11-F13 VanDerWaalsContact C-N 3.34Å; F13-V15 VanDerWaalsContact C-N 3.27Å; F13-V15 PolarHBondContact O-N 2.75Å; F13-L16 PolarHBondContact O-N 3.24Å; F13-R17 VanDerWaalsContact O-CB 3.31Å; F13-R17 WeakPolarHBondContact O-CB 3.37Å; F13-R17 PolarHBondContact O-N 2.94Å
14	T	40.4	Very low	43.7	Very low	81 Å²	81	119.4 Å²	119.4	50%	0.497	57%	0.567	S	S	.	*	H	α-helix	trans	-65.7	-30	174	43.5	0	0	0	0	113.1	L10 R11 R18	L10-T14 PolarHBondContact O-N 3.3Å; L10-T14 PolarHBondContact O-OG1 3.49Å; L10-T14 VanDerWaalsContact O-OG1 3.11Å; R11-T14 WeakPolarHBondContact CA-OG1 3.21Å; R11-T14 PolarHBondContact O-N 3.47Å; R11-T14 PolarHBondContact O-OG1 2.86Å; T14-R18 WeakPolarHBondContact O-CG 3.36Å; T14-R18 PolarHBondContact O-N 2.97Å
15	V	43.5	Very low	42.5	Very low	86 Å²	86	124.9 Å²	124.9	52%	0.521	58%	0.581	S	S	.	*	H	α-helix	trans	-73.3	-45.6	175.5	174.4	0	0	0	0	110.2	R11 L12 F13 R17 R18 I19	R11-V15 WeakPolarHBondContact O-CG2 3.44Å; R11-V15 PolarHBondContact O-N 3.37Å; L12-V15 PolarHBondContact O-N 3.2Å; F13-V15 VanDerWaalsContact C-N 3.27Å; F13-V15 PolarHBondContact O-N 2.75Å; V15-R17 VanDerWaalsContact C-N 3.35Å; V15-R17 PolarHBondContact O-N 3.15Å; V15-R18 PolarHBondContact O-N 3.47Å; V15-I19 HydrophobicContact CG1-CD1 4.16Å; V15-I19 WeakPolarHBondContact O-CG1 3.19Å; V15-I19 PolarHBondContact O-N 3.11Å; V15-I19 VanDerWaalsContact O-N 3.12Å
16	L	39.3	Very low	41.5	Very low	95 Å²	95	128.8 Å²	128.8	50%	0.497	60%	0.597	S	S	.	*	H	α-helix	trans	-65.8	-36.7	177.7	-68.9	171.3	0	0	0	112.4	L12 F13 I19 S20	L12-L16 HydrophobicContact CD2-CD1 4.32Å; L12-L16 PolarHBondContact O-N 3.33Å; F13-L16 PolarHBondContact O-N 3.24Å; L16-I19 PolarHBondContact O-N 3.1Å; L16-S20 PolarHBondContact O-N 2.71Å
17	R	34	Very low	39.9	Very low	178 Å²	178	125.8 Å²	125.8	67%	0.672	59%	0.593	S	S	*	*	H	α-helix	trans	-65.8	-36.9	174.1	-166.5	175.3	-174	165.8	5	112.2	F13 V15 I19 S20 D21	F13-R17 VanDerWaalsContact O-CB 3.31Å; F13-R17 WeakPolarHBondContact O-CB 3.37Å; F13-R17 PolarHBondContact O-N 2.94Å; V15-R17 VanDerWaalsContact C-N 3.35Å; V15-R17 PolarHBondContact O-N 3.15Å; R17-I19 VanDerWaalsContact C-N 3.32Å; R17-I19 PolarHBondContact O-N 3.15Å; R17-S20 PolarHBondContact O-N 3.45Å; R17-D21 VanDerWaalsContact O-CB 3.27Å; R17-D21 WeakPolarHBondContact O-CB 3.36Å; R17-D21 PolarHBondContact O-N 3.39Å
18	R	35.6	Very low	38.5	Very low	195 Å²	195	128.2 Å²	128.2	74%	0.736	61%	0.612	S	S	*	*	H	α-helix	trans	-65.9	-34.6	173.2	-81	-172	-169.1	-173.4	3.3	112.8	T14 V15 C22	T14-R18 WeakPolarHBondContact O-CG 3.36Å; T14-R18 PolarHBondContact O-N 2.97Å; V15-R18 PolarHBondContact O-N 3.47Å; R18-C22 WeakPolarHBondContact O-CB 3.44Å; R18-C22 PolarHBondContact O-N 3.05Å; R18-C22 VanDerWaalsContact O-N 3.07Å; R18-C22 PolarHBondContact O-SG 3.15Å; R18-C22 VanDerWaalsContact O-SG 3.32Å
19	I	45.7	Very low	37.6	Very low	94 Å²	94	125.3 Å²	125.3	48%	0.482	62%	0.615	S	S	.	*	H	α-helix	trans	-70.5	-43.8	177.2	-64.9	166.6	0	0	0	110	V15 L16 R17 C22 E23	V15-I19 HydrophobicContact CG1-CD1 4.16Å; V15-I19 WeakPolarHBondContact O-CG1 3.19Å; V15-I19 PolarHBondContact O-N 3.11Å; V15-I19 VanDerWaalsContact O-N 3.12Å; L16-I19 PolarHBondContact O-N 3.1Å; R17-I19 VanDerWaalsContact C-N 3.32Å; R17-I19 PolarHBondContact O-N 3.15Å; I19-C22 WeakPolarHBondContact O-CB 3.08Å; I19-C22 PolarHBondContact O-N 3.46Å; I19-E23 PolarHBondContact O-N 3.21Å; I19-E23 VanDerWaalsContact O-N 3.13Å
20	S	40.4	Very low	36.4	Very low	54 Å²	54	127 Å²	127	38%	0.378	63%	0.626	S	S	.	*	H	α-helix	trans	-67.1	-39.2	175.9	172	0	0	0	0	113.4	L16 R17 C22 E23 N24	L16-S20 PolarHBondContact O-N 2.71Å; R17-S20 PolarHBondContact O-N 3.45Å; S20-C22 PolarHBondContact O-N 2.76Å; S20-E23 PolarHBondContact O-N 2.9Å; S20-E23 VanDerWaalsContact O-N 3.17Å; S20-N24 PolarHBondContact O-N 3.45Å
21	D	35.3	Very low	35.2	Very low	80 Å²	80	128.3 Å²	128.3	43%	0.428	63%	0.633	S	S	.	*	H	α-helix	trans	-68.5	-25.8	174.7	-72.5	-21.6	0	0	0	111.6	R17 R25	R17-D21 VanDerWaalsContact O-CB 3.27Å; R17-D21 WeakPolarHBondContact O-CB 3.36Å; R17-D21 PolarHBondContact O-N 3.39Å; D21-R25 PolarHBondContact O-N 2.7Å
22	C	37.6	Very low	34.3	Very low	83 Å²	83	127.1 Å²	127.1	56%	0.561	64%	0.639	S	S	*	*	H	α-helix	trans	-72	-33.8	170.9	-84.4	0	0	0	0	112.3	R18 I19 S20 F26	R18-C22 WeakPolarHBondContact O-CB 3.44Å; R18-C22 PolarHBondContact O-N 3.05Å; R18-C22 VanDerWaalsContact O-N 3.07Å; R18-C22 PolarHBondContact O-SG 3.15Å; R18-C22 VanDerWaalsContact O-SG 3.32Å; I19-C22 WeakPolarHBondContact O-CB 3.08Å; I19-C22 PolarHBondContact O-N 3.46Å; S20-C22 PolarHBondContact O-N 2.76Å; C22-F26 VanDerWaalsContact O-CD2 3.26Å; C22-F26 WeakPolarHBondContact O-CD2 3.32Å
23	E	34.8	Very low	33.4	Very low	143 Å²	143	128.8 Å²	128.8	67%	0.668	65%	0.645	S	S	*	*	H	α-helix	trans	-75.6	-38.3	175.2	-74.4	-178.9	157.5	0	0	112.2	I19 S20 R25 F26	I19-E23 PolarHBondContact O-N 3.21Å; I19-E23 VanDerWaalsContact O-N 3.13Å; S20-E23 PolarHBondContact O-N 2.9Å; S20-E23 VanDerWaalsContact O-N 3.17Å; E23-R25 VanDerWaalsContact C-N 3.28Å; E23-R25 PolarHBondContact O-N 3.01Å; E23-F26 PolarHBondContact O-N 3.46Å
24	N	30.6	Very low	32.6	Very low	127 Å²	127	127 Å²	127	68%	0.679	65%	0.648	S	S	*	*	H	α-helix	trans	-73.9	-11.4	-179.1	-79.4	-20.7	0	0	0	114.9	S20	S20-N24 PolarHBondContact O-N 3.45Å
25	R	29.9	Very low	31.9	Very low	214 Å²	214	130.3 Å²	130.3	81%	0.808	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-5.7	173.7	-80.9	-169.4	-164.6	-165.7	3.8	114.6	D21 E23 G27	D21-R25 PolarHBondContact O-N 2.7Å; E23-R25 VanDerWaalsContact C-N 3.28Å; E23-R25 PolarHBondContact O-N 3.01Å; R25-G27 PolarHBondContact O-N 3.26Å
26	F	30.2	Very low	31.1	Very low	183 Å²	183	131.3 Å²	131.3	80%	0.803	67%	0.674	S	S	*	*			trans	-93.2	43	171.3	-67.8	-74.9	0	0	0	111.7	C22 E23	C22-F26 VanDerWaalsContact O-CD2 3.26Å; C22-F26 WeakPolarHBondContact O-CD2 3.32Å; E23-F26 PolarHBondContact O-N 3.46Å
27	G	25.1	Very low	30.6	Very low	48 Å²	48	131.6 Å²	131.6	50%	0.495	68%	0.684	S	S	.	*	S	Bend	trans	-91.2	120.3	156.6	0	0	0	0	0	109.6	R25	R25-G27 PolarHBondContact O-N 3.26Å
28	T	29.4	Very low	30.4	Very low	140 Å²	140	134.2 Å²	134.2	86%	0.859	69%	0.694	S	S	*	*	S	Bend	trans	60.3	70.2	157.7	66.7	0	0	0	0	118.1
29	T	26.2	Very low	30.2	Very low	118 Å²	118	130.4 Å²	130.4	72%	0.724	69%	0.694	S	S	*	*			trans	-146.9	116.3	138.9	38.9	0	0	0	0	108.7	L31	T29-L31 PolarHBondContact O-N 3.37Å
30	K	25.2	Very low	29.5	Very low	205 Å²	205	131.8 Å²	131.8	89%	0.891	71%	0.707	S	S	*	*			trans	-56.5	87.3	165.9	-72.3	176.9	174.3	179.8	0	108.3	I32	K30-I32 PolarHBondContact O-N 3.42Å
31	L	26.1	Very low	29.3	Very low	128 Å²	128	132.1 Å²	132.1	67%	0.67	71%	0.709	S	S	*	*			trans	-74.5	90.5	167.4	-74.4	175.3	0	0	0	106.8	T29 M33	T29-L31 PolarHBondContact O-N 3.37Å; L31-M33 PolarHBondContact O-N 3.4Å
32	I	24	Very low	29.2	Very low	155 Å²	155	136.2 Å²	136.2	80%	0.795	72%	0.723	S	S	*	*			trans	-58.5	91.9	157.3	-61.8	166.3	0	0	0	105.1	K30 P34	K30-I32 PolarHBondContact O-N 3.42Å; I32-P34 WeakPolarHBondContact O-CD 3.39Å
33	M	25.2	Very low	28.9	Very low	155 Å²	155	139.8 Å²	139.8	76%	0.764	73%	0.73	S	S	*	*			trans	-70.3	122	168.4	-74.9	-142.2	161	0	0	107.1	L31 V35	L31-M33 PolarHBondContact O-N 3.4Å; M33-V35 PolarHBondContact O-N 3.32Å
34	P	25.2	Very low	28.9	Very low	106 Å²	106	135 Å²	135	69%	0.688	71%	0.712	S	S	*	*			trans	-60.8	134.8	178.5	24.6	-31.6	0	0	0	109	I32 V36	I32-P34 WeakPolarHBondContact O-CD 3.39Å; P34-V36 PolarHBondContact O-N 3.48Å
35	V	25.5	Very low	29	Very low	149 Å²	149	134.2 Å²	134.2	90%	0.903	70%	0.703	S	S	*	*			trans	-63	80.4	173.6	-179.3	0	0	0	0	108.2	M33	M33-V35 PolarHBondContact O-N 3.32Å
36	V	28.4	Very low	29.4	Very low	107 Å²	107	128.2 Å²	128.2	65%	0.648	69%	0.686	S	S	*	*			trans	-84.9	109.4	160.9	-179.1	0	0	0	0	105.2	P34 R38	P34-V36 PolarHBondContact O-N 3.48Å; V36-R38 PolarHBondContact O-N 3.12Å
37	S	28.5	Very low	29.8	Very low	102 Å²	102	125.9 Å²	125.9	71%	0.713	68%	0.675	S	S	*	*	S	Bend	trans	-26.8	109.3	164.5	36.1	0	0	0	0	112.1
38	R	28.8	Very low	30.5	Very low	233 Å²	233	126.2 Å²	126.2	88%	0.879	67%	0.67	S	S	*	*			trans	27.8	93.6	164.6	-64.1	-176.6	177	-174.9	-0.4	115.2	V36 V40	V36-R38 PolarHBondContact O-N 3.12Å; R38-V40 PolarHBondContact O-N 3.02Å; R38-V40 VanDerWaalsContact O-N 3.14Å
39	P	32.1	Very low	30.8	Very low	115 Å²	115	125.6 Å²	125.6	75%	0.747	66%	0.656	S	S	*	*			trans	-70.1	113.2	150.7	30.9	-26	0	0	0	106.2	S41	P39-S41 PolarHBondContact O-N 3.23Å
40	V	31	Very low	31.3	Very low	122 Å²	122	125.2 Å²	125.2	74%	0.739	65%	0.649	S	S	*	*			trans	-31.7	111.9	167	173.5	0	0	0	0	109.2	R38 F42 S44	R38-V40 PolarHBondContact O-N 3.02Å; R38-V40 VanDerWaalsContact O-N 3.14Å; V40-F42 PolarHBondContact O-N 3.46Å; V40-S44 WeakPolarHBondContact CG1-OG 3.37Å
41	S	35.5	Very low	31.7	Very low	62 Å²	62	119.3 Å²	119.3	43%	0.434	63%	0.627	S	S	.	*			trans	-38.3	134.2	-171.1	172.2	0	0	0	0	112.1	P39 F43 S44 F45	P39-S41 PolarHBondContact O-N 3.23Å; S41-F43 PolarHBondContact O-N 3.34Å; S41-F43 WeakPolarHBondContact OG-CB 3.43Å; S41-F43 PolarHBondContact OG-N 2.86Å; S41-S44 PolarHBondContact N-OG 3.5Å; S41-S44 WeakPolarHBondContact O-CA 3.27Å; S41-S44 WeakPolarHBondContact O-CB 3.48Å; S41-S44 PolarHBondContact O-N 3.34Å; S41-S44 PolarHBondContact O-OG 3.06Å; S41-F45 PolarHBondContact O-N 2.9Å
42	F	33.7	Very low	32.2	Very low	165 Å²	165	119.1 Å²	119.1	72%	0.724	62%	0.622	S	S	*	*	H	α-helix	trans	-50.9	-27.2	172.9	-139.9	-94.6	0	0	0	111.9	V40 F45 I46	V40-F42 PolarHBondContact O-N 3.46Å; F42-F45 PolarHBondContact O-N 3.36Å; F42-I46 WeakPolarHBondContact O-CG1 3.41Å; F42-I46 PolarHBondContact O-N 2.68Å
43	F	31.1	Very low	32.8	Very low	158 Å²	158	113.7 Å²	113.7	69%	0.693	60%	0.601	S	S	*	*	H	α-helix	trans	-73.2	-26.4	173.3	-66	-79.3	0	0	0	114.2	S41 K47	S41-F43 PolarHBondContact O-N 3.34Å; S41-F43 WeakPolarHBondContact OG-CB 3.43Å; S41-F43 PolarHBondContact OG-N 2.86Å; F43-K47 WeakPolarHBondContact O-CB 3.32Å; F43-K47 PolarHBondContact O-N 3.31Å
44	S	35.8	Very low	33.4	Very low	42 Å²	42	110.4 Å²	110.4	29%	0.294	59%	0.589	S	S	.	*	H	α-helix	trans	-77	-23.4	168.4	65.2	0	0	0	0	113.1	V40 S41 S48	V40-S44 WeakPolarHBondContact CG1-OG 3.37Å; S41-S44 PolarHBondContact N-OG 3.5Å; S41-S44 WeakPolarHBondContact O-CA 3.27Å; S41-S44 WeakPolarHBondContact O-CB 3.48Å; S41-S44 PolarHBondContact O-N 3.34Å; S41-S44 PolarHBondContact O-OG 3.06Å; S44-S48 WeakPolarHBondContact O-CA 3.27Å; S44-S48 WeakPolarHBondContact O-CB 3.25Å; S44-S48 PolarHBondContact O-N 3.15Å; S44-S48 PolarHBondContact O-OG 3.1Å
45	F	32.1	Very low	33.6	Very low	112 Å²	112	108 Å²	108	49%	0.491	58%	0.575	S	S	.	*	H	α-helix	trans	-73.7	-37.2	167.3	-178.4	-100.7	0	0	0	111.7	S41 F42 S48 K49	S41-F45 PolarHBondContact O-N 2.9Å; F42-F45 PolarHBondContact O-N 3.36Å; F45-S48 PolarHBondContact O-OG 3.07Å; F45-S48 VanDerWaalsContact O-OG 3.11Å; F45-K49 HydrophobicContact CE1-CD 4.22Å; F45-K49 HydrophobicContact CZ-CD 4.29Å; F45-K49 HydrophobicContact CZ-CG 4.47Å; F45-K49 WeakPolarHBondContact O-CB 3.12Å; F45-K49 PolarHBondContact O-N 3.22Å
46	I	39.1	Very low	34	Very low	88 Å²	88	103.9 Å²	103.9	45%	0.451	55%	0.553	S	S	.	*	H	α-helix	trans	-68.4	-41.9	171.4	-65.6	170.8	0	0	0	110	F42 K49 L50	F42-I46 WeakPolarHBondContact O-CG1 3.41Å; F42-I46 PolarHBondContact O-N 2.68Å; I46-K49 CarbonylContact O-C 3.58Å; I46-K49 PolarHBondContact O-N 3.11Å; I46-L50 VanDerWaalsContact O-CB 3.26Å; I46-L50 WeakPolarHBondContact O-CB 3.48Å; I46-L50 PolarHBondContact O-N 3.27Å
47	K	37.3	Very low	34.2	Very low	134 Å²	134	105.2 Å²	105.2	58%	0.583	55%	0.552	S	S	*	*	H	α-helix	trans	-67.9	-37.2	175.4	-169.6	175.3	179.9	-178.4	0	111.5	F43 L50 D51	F43-K47 WeakPolarHBondContact O-CB 3.32Å; F43-K47 PolarHBondContact O-N 3.31Å; K47-L50 PolarHBondContact O-N 2.92Å; K47-D51 WeakPolarHBondContact CE-OD2 3.45Å; K47-D51 WeakPolarHBondContact CG-OD2 3.47Å; K47-D51 WeakPolarHBondContact O-CA 3.39Å; K47-D51 WeakPolarHBondContact O-CB 3.28Å; K47-D51 PolarHBondContact O-N 3.45Å
48	S	40.6	Very low	34.3	Very low	55 Å²	55	104.2 Å²	104.2	39%	0.385	55%	0.545	S	S	.	.	H	α-helix	trans	-69.5	-35.1	174.2	76.6	0	0	0	0	110.9	S44 F45 E52	S44-S48 WeakPolarHBondContact O-CA 3.27Å; S44-S48 WeakPolarHBondContact O-CB 3.25Å; S44-S48 PolarHBondContact O-N 3.15Å; S44-S48 PolarHBondContact O-OG 3.1Å; F45-S48 PolarHBondContact O-OG 3.07Å; F45-S48 VanDerWaalsContact O-OG 3.11Å; S48-E52 VanDerWaalsContact O-CA 3.29Å; S48-E52 WeakPolarHBondContact O-CA 3.29Å; S48-E52 WeakPolarHBondContact O-CB 3.46Å; S48-E52 PolarHBondContact O-N 3.16Å
49	K	34.9	Very low	34.3	Very low	127 Å²	127	101.5 Å²	101.5	55%	0.552	54%	0.54	S	S	*	.	H	α-helix	trans	-74.2	-28	172	-92	-157.4	173	-170.5	0	113.8	F45 I46 A53	F45-K49 HydrophobicContact CE1-CD 4.22Å; F45-K49 HydrophobicContact CZ-CD 4.29Å; F45-K49 HydrophobicContact CZ-CG 4.47Å; F45-K49 WeakPolarHBondContact O-CB 3.12Å; F45-K49 PolarHBondContact O-N 3.22Å; I46-K49 CarbonylContact O-C 3.58Å; I46-K49 PolarHBondContact O-N 3.11Å; K49-A53 WeakPolarHBondContact O-CA 3.32Å; K49-A53 WeakPolarHBondContact O-CB 3.32Å; K49-A53 PolarHBondContact O-N 3.33Å
50	L	37.1	Very low	34.1	Very low	110 Å²	110	101.5 Å²	101.5	58%	0.576	53%	0.533	S	S	*	.	H	α-helix	trans	-78.4	-42.9	175	-150.8	88.8	0	0	0	109.9	I46 K47 E52 A53 V54	I46-L50 VanDerWaalsContact O-CB 3.26Å; I46-L50 WeakPolarHBondContact O-CB 3.48Å; I46-L50 PolarHBondContact O-N 3.27Å; K47-L50 PolarHBondContact O-N 2.92Å; L50-E52 VanDerWaalsContact C-N 3.33Å; L50-A53 CarbonylContact O-C 3.51Å; L50-A53 PolarHBondContact O-N 3.36Å; L50-V54 VanDerWaalsContact O-CB 3.24Å; L50-V54 WeakPolarHBondContact O-CB 3.45Å; L50-V54 WeakPolarHBondContact O-CG2 3.42Å; L50-V54 PolarHBondContact O-N 2.83Å
51	D	34.3	Very low	34	Very low	81 Å²	81	100.8 Å²	100.8	43%	0.433	53%	0.534	S	S	.	.	H	α-helix	trans	-69.3	-31.5	172.3	-70.8	-16.4	0	0	0	110.4	K47 V54 S55	K47-D51 WeakPolarHBondContact CE-OD2 3.45Å; K47-D51 WeakPolarHBondContact CG-OD2 3.47Å; K47-D51 WeakPolarHBondContact O-CA 3.39Å; K47-D51 WeakPolarHBondContact O-CB 3.28Å; K47-D51 PolarHBondContact O-N 3.45Å; D51-V54 CarbonylContact O-C 3.44Å; D51-V54 PolarHBondContact O-N 3.45Å; D51-S55 VanDerWaalsContact O-CA 3.28Å; D51-S55 WeakPolarHBondContact O-CA 3.48Å; D51-S55 WeakPolarHBondContact O-CB 3.36Å; D51-S55 PolarHBondContact O-N 3.43Å
52	E	35.3	Very low	34.2	Very low	123 Å²	123	107.2 Å²	107.2	58%	0.575	55%	0.549	S	S	*	.	H	α-helix	trans	-78.2	-26.1	170.3	-170.9	173	-149.8	0	0	110.9	S48 L50 S56	S48-E52 VanDerWaalsContact O-CA 3.29Å; S48-E52 WeakPolarHBondContact O-CA 3.29Å; S48-E52 WeakPolarHBondContact O-CB 3.46Å; S48-E52 PolarHBondContact O-N 3.16Å; L50-E52 VanDerWaalsContact C-N 3.33Å; E52-S56 VanDerWaalsContact O-CA 3.29Å; E52-S56 WeakPolarHBondContact O-CA 3.5Å; E52-S56 WeakPolarHBondContact O-CB 3.48Å; E52-S56 PolarHBondContact O-N 3.16Å; E52-S56 PolarHBondContact O-OG 2.92Å
53	A	38.1	Very low	34.5	Very low	42 Å²	42	104 Å²	104	35%	0.347	55%	0.547	S	S	.	.	H	α-helix	trans	-75.7	-31.5	167.8	0	0	0	0	0	111.7	K49 L50 S56 Q57	K49-A53 WeakPolarHBondContact O-CA 3.32Å; K49-A53 WeakPolarHBondContact O-CB 3.32Å; K49-A53 PolarHBondContact O-N 3.33Å; L50-A53 CarbonylContact O-C 3.51Å; L50-A53 PolarHBondContact O-N 3.36Å; A53-S56 WeakPolarHBondContact CA-OG 3.42Å; A53-S56 PolarHBondContact O-OG 2.93Å; A53-Q57 WeakPolarHBondContact O-CB 3.33Å; A53-Q57 WeakPolarHBondContact O-CG 3.39Å; A53-Q57 PolarHBondContact O-N 3.22Å
54	V	36.7	Very low	35.2	Very low	85 Å²	85	101.5 Å²	101.5	52%	0.515	54%	0.544	S	S	.	.	H	α-helix	trans	-80.7	-30	174.8	171.4	0	0	0	0	110.6	L50 D51 Q57 S58	L50-V54 VanDerWaalsContact O-CB 3.24Å; L50-V54 WeakPolarHBondContact O-CB 3.45Å; L50-V54 WeakPolarHBondContact O-CG2 3.42Å; L50-V54 PolarHBondContact O-N 2.83Å; D51-V54 CarbonylContact O-C 3.44Å; D51-V54 PolarHBondContact O-N 3.45Å; V54-Q57 CarbonylContact O-C 3.6Å; V54-S58 PolarHBondContact O-N 3.24Å
55	S	30.2	Very low	36.2	Very low	56 Å²	56	100.4 Å²	100.4	39%	0.392	54%	0.536	S	S	.	.	H	α-helix	trans	-87.7	-32.6	176.2	171.9	0	0	0	0	112.3	D51 Q57 S58 K59	D51-S55 VanDerWaalsContact O-CA 3.28Å; D51-S55 WeakPolarHBondContact O-CA 3.48Å; D51-S55 WeakPolarHBondContact O-CB 3.36Å; D51-S55 PolarHBondContact O-N 3.43Å; S55-Q57 VanDerWaalsContact C-N 3.27Å; S55-S58 VanDerWaalsContact CA-OG 3.32Å; S55-S58 WeakPolarHBondContact CA-OG 3.45Å; S55-S58 CarbonylContact O-C 3.6Å; S55-S58 WeakPolarHBondContact O-CA 3.4Å; S55-S58 PolarHBondContact O-N 2.87Å; S55-S58 PolarHBondContact O-OG 2.93Å; S55-K59 PolarHBondContact O-N 3.22Å
56	S	33.3	Very low	37.8	Very low	63 Å²	63	100.6 Å²	100.6	44%	0.441	54%	0.542	S	S	.	.	H	α-helix	trans	-70.4	-30.9	165.6	73.4	0	0	0	0	110	E52 A53 S58 D60	E52-S56 VanDerWaalsContact O-CA 3.29Å; E52-S56 WeakPolarHBondContact O-CA 3.5Å; E52-S56 WeakPolarHBondContact O-CB 3.48Å; E52-S56 PolarHBondContact O-N 3.16Å; E52-S56 PolarHBondContact O-OG 2.92Å; A53-S56 WeakPolarHBondContact CA-OG 3.42Å; A53-S56 PolarHBondContact O-OG 2.93Å; S56-S58 PolarHBondContact O-N 2.97Å; S56-D60 PolarHBondContact O-N 3.18Å
57	Q	33.7	Very low	39.4	Very low	134 Å²	134	99.4 Å²	99.4	63%	0.626	54%	0.537	S	S	*	.	H	α-helix	trans	-71	-14.8	164.2	-79.9	176.8	12.6	0	0	113.5	A53 V54 S55	A53-Q57 WeakPolarHBondContact O-CB 3.33Å; A53-Q57 WeakPolarHBondContact O-CG 3.39Å; A53-Q57 PolarHBondContact O-N 3.22Å; V54-Q57 CarbonylContact O-C 3.6Å; S55-Q57 VanDerWaalsContact C-N 3.27Å
58	S	30.5	Very low	41.5	Very low	82 Å²	82	96.4 Å²	96.4	57%	0.573	53%	0.533	S	S	*	.	H	α-helix	trans	-93.7	-19.6	172.8	82.9	0	0	0	0	113.5	V54 S55 S56	V54-S58 PolarHBondContact O-N 3.24Å; S55-S58 VanDerWaalsContact CA-OG 3.32Å; S55-S58 WeakPolarHBondContact CA-OG 3.45Å; S55-S58 CarbonylContact O-C 3.6Å; S55-S58 WeakPolarHBondContact O-CA 3.4Å; S55-S58 PolarHBondContact O-N 2.87Å; S55-S58 PolarHBondContact O-OG 2.93Å; S56-S58 PolarHBondContact O-N 2.97Å
59	K	27.4	Very low	43.5	Very low	175 Å²	175	97 Å²	97	76%	0.761	53%	0.53	S	S	*	.	H	α-helix	trans	-92.4	-21.4	172.9	-79.8	-172.9	176.7	178.6	0	114.6	S55 S61	S55-K59 PolarHBondContact O-N 3.22Å; K59-S61 PolarHBondContact O-N 3.42Å; K59-S61 VanDerWaalsContact O-N 3.09Å
60	D	28.9	Very low	45.8	Very low	115 Å²	115	91.5 Å²	91.5	62%	0.615	51%	0.505	S	S	*	.	S	Bend	trans	-78.7	85.4	153.6	-77.6	-15.9	0	0	0	106.9	S56 R62	S56-D60 PolarHBondContact O-N 3.18Å; D60-R62 PolarHBondContact O-N 3.31Å
61	S	28.9	Very low	48.2	Very low	108 Å²	108	90.2 Å²	90.2	76%	0.755	50%	0.498	S	S	*	.			trans	-57.4	77.6	153.4	47.7	0	0	0	0	107.4	K59 S63	K59-S61 PolarHBondContact O-N 3.42Å; K59-S61 VanDerWaalsContact O-N 3.09Å; S61-S63 PolarHBondContact O-N 3.09Å
62	R	38.5	Very low	50.6	Low	196 Å²	196	88.2 Å²	88.2	74%	0.74	49%	0.487	S	S	*	.			trans	-53.6	102.3	160.8	-78.7	-178.1	179.6	-172.3	-2.7	103.1	D60 V64	D60-R62 PolarHBondContact O-N 3.31Å; R62-V64 PolarHBondContact O-N 3.48Å
63	S	39.7	Very low	52.9	Low	99 Å²	99	82.7 Å²	82.7	69%	0.692	46%	0.463	S	S	*	.			trans	-39.2	115.1	170.1	52.8	0	0	0	0	105.9	S61 P65	S61-S63 PolarHBondContact O-N 3.09Å; S63-P65 WeakPolarHBondContact O-CD 3.43Å
64	V	46.5	Very low	55.1	Low	105 Å²	105	81.9 Å²	81.9	64%	0.636	45%	0.454	S	S	*	.			trans	-46.1	111.8	171.9	175.9	0	0	0	0	104.8	R62 N66 D67	R62-V64 PolarHBondContact O-N 3.48Å; V64-N66 PolarHBondContact O-N 3.41Å; V64-D67 WeakPolarHBondContact CG1-OD2 3.35Å
65	P	56.5	Low	57.5	Low	18 Å²	18	82.3 Å²	82.3	12%	0.117	45%	0.45	C	S	.	.			trans	-57	140.5	-176.9	-19.2	29.7	0	0	0	106.9	S63 D67 Q128 N129	S63-P65 WeakPolarHBondContact O-CD 3.43Å; P65-D67 PolarHBondContact O-N 3.42Å; P65-Q128 HydrophobicContact CG-CB 4.01Å; P65-N129 WeakPolarHBondContact CB-OD1 3.42Å; P65-N129 WeakPolarHBondContact CD-OD1 3.29Å; P65-N129 VanDerWaalsContact CG-OD1 3.29Å; P65-N129 WeakPolarHBondContact CG-OD1 3.39Å; P65-N129 PolarHBondContact O-ND2 2.99Å; P65-N129 VanDerWaalsContact O-ND2 3.14Å
66	N	66.2	Low	59.9	Low	116 Å²	116	81.9 Å²	81.9	62%	0.62	44%	0.443	S	S	*	.			trans	-46.9	99.9	-171.4	-168.6	8.6	0	0	0	111.6	V64 S68	V64-N66 PolarHBondContact O-N 3.41Å; N66-S68 PolarHBondContact O-N 2.99Å; N66-S68 VanDerWaalsContact O-N 3.09Å
67	D	72.7	Confident	62.2	Low	63 Å²	63	79.1 Å²	79.1	34%	0.337	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.6	-170.4	-77.8	-22	0	0	0	112.4	V64 P65 E69 W70 I71 N129	V64-D67 WeakPolarHBondContact CG1-OD2 3.35Å; P65-D67 PolarHBondContact O-N 3.42Å; D67-E69 VanDerWaalsContact C-N 3.31Å; D67-E69 PolarHBondContact O-N 3.31Å; D67-W70 PolarHBondContact O-N 3.11Å; D67-W70 VanDerWaalsContact O-N 3.11Å; D67-I71 HydrophobicContact CB-CD1 3.74Å; D67-I71 HydrophobicContact CB-CG1 4.25Å; D67-I71 WeakPolarHBondContact O-CB 3.47Å; D67-I71 VanDerWaalsContact O-CG1 3.31Å; D67-I71 WeakPolarHBondContact O-CG1 3.33Å; D67-I71 PolarHBondContact O-N 2.89Å; D67-N129 PolarHBondContact OD1-ND2 3.17Å; D67-N129 PolarHBondContact OD1-OD1 3.42Å
68	S	82.3	Confident	64.3	Low	71 Å²	71	78 Å²	78	50%	0.497	42%	0.418	S	S	.	.	H	α-helix	trans	-56.1	-40.3	-175.1	-173.6	0	0	0	0	113.3	N66 D72	N66-S68 PolarHBondContact O-N 2.99Å; N66-S68 VanDerWaalsContact O-N 3.09Å; S68-D72 WeakPolarHBondContact O-CB 3.33Å; S68-D72 PolarHBondContact O-N 3.04Å
69	E	82.1	Confident	66.5	Low	69 Å²	69	80.6 Å²	80.6	32%	0.322	42%	0.419	S	S	.	.	H	α-helix	trans	-71.1	-36.1	-179.7	-68.8	-177.6	175	0	0	112	D67 A73 F112 F126	D67-E69 VanDerWaalsContact C-N 3.31Å; D67-E69 PolarHBondContact O-N 3.31Å; E69-A73 WeakPolarHBondContact O-CB 3.27Å; E69-A73 PolarHBondContact O-N 2.89Å; E69-A73 VanDerWaalsContact O-N 3.13Å; E69-F112 WeakPolarHBondContact OE2-CE2 3.44Å; E69-F126 HydrophobicContact CB-CD2 4.13Å
70	W	83.5	Confident	68.6	Low	11 Å²	11	74.6 Å²	74.6	4%	0.042	40%	0.399	C	S	.	.	H	α-helix	trans	-70.2	-49.3	176.6	-177.4	-87.9	0	0	0	111.2	D67 D72 A73 V74 F105 I108 L109 F126 N129 A130 K133 Y137	D67-W70 PolarHBondContact O-N 3.11Å; D67-W70 VanDerWaalsContact O-N 3.11Å; W70-D72 VanDerWaalsContact C-N 3.3Å; W70-D72 PolarHBondContact O-N 3.4Å; W70-A73 PolarHBondContact O-N 3.1Å; W70-V74 WeakPolarHBondContact O-CG2 3.35Å; W70-V74 PolarHBondContact O-N 3.39Å; W70-F105 HydrophobicContact CH2-CD2 4.05Å; W70-F105 AromaticContact CH2-CE2 3.76Å; W70-F105 HydrophobicContact CH2-CE2 3.76Å; W70-I108 HydrophobicContact CE3-CG2 4.29Å; W70-I108 HydrophobicContact CH2-CG2 3.91Å; W70-I108 HydrophobicContact CZ2-CD1 4.41Å; W70-I108 HydrophobicContact CZ2-CG2 4.26Å; W70-I108 HydrophobicContact CZ3-CG2 3.92Å; W70-L109 HydrophobicContact CZ3-CD2 4.29Å; W70-F126 HydrophobicContact CB-CE2 4.45Å; W70-F126 HydrophobicContact CE3-CD2 4.19Å; W70-F126 HydrophobicContact CE3-CE1 4.33Å; W70-F126 AromaticContact CE3-CE2 3.69Å; W70-F126 HydrophobicContact CE3-CE2 3.69Å; W70-F126 AromaticContact CE3-CZ 3.76Å; W70-F126 HydrophobicContact CE3-CZ 3.76Å; W70-F126 HydrophobicContact CZ3-CE1 4.25Å; W70-F126 HydrophobicContact CZ3-CE2 4.32Å; W70-F126 AromaticContact CZ3-CZ 3.92Å; W70-F126 HydrophobicContact CZ3-CZ 3.92Å; W70-N129 HydrophobicContact CB-CB 4.35Å; W70-A130 HydrophobicContact CE3-CB 4.22Å; W70-A130 HydrophobicContact CH2-CB 4.09Å; W70-A130 VanDerWaalsContact CZ3-CA 3.44Å; W70-A130 HydrophobicContact CZ3-CB 3.47Å; W70-A130 VanDerWaalsContact CZ3-CB 3.47Å; W70-K133 HydrophobicContact CH2-CB 4.25Å; W70-K133 HydrophobicContact CZ2-CB 3.69Å; W70-K133 HydrophobicContact CZ2-CG 3.98Å; W70-Y137 AromaticContact CZ2-CE2 3.82Å; W70-Y137 HydrophobicContact CZ2-CE2 3.82Å
71	I	86.1	Confident	70.3	Confident	82 Å²	82	70.5 Å²	70.5	42%	0.421	38%	0.377	S	S	.	.	H	α-helix	trans	-59	-43.4	179.4	-67.4	167.2	0	0	0	110.6	D67 V74 Q75	D67-I71 HydrophobicContact CB-CD1 3.74Å; D67-I71 HydrophobicContact CB-CG1 4.25Å; D67-I71 WeakPolarHBondContact O-CB 3.47Å; D67-I71 VanDerWaalsContact O-CG1 3.31Å; D67-I71 WeakPolarHBondContact O-CG1 3.33Å; D67-I71 PolarHBondContact O-N 2.89Å; I71-V74 PolarHBondContact O-N 3.11Å; I71-Q75 HydrophobicContact CG2-CG 4.42Å; I71-Q75 WeakPolarHBondContact O-CG 2.98Å; I71-Q75 PolarHBondContact O-N 3.37Å
72	D	85.1	Confident	71.4	Confident	39 Å²	39	71.1 Å²	71.1	21%	0.209	37%	0.371	C	S	.	.	H	α-helix	trans	-65.1	-42.6	177.8	-168.4	-18.1	0	0	0	111.3	S68 W70 V74 Q75 N76 R115	S68-D72 WeakPolarHBondContact O-CB 3.33Å; S68-D72 PolarHBondContact O-N 3.04Å; W70-D72 VanDerWaalsContact C-N 3.3Å; W70-D72 PolarHBondContact O-N 3.4Å; D72-V74 VanDerWaalsContact C-N 3.35Å; D72-V74 PolarHBondContact O-N 3.36Å; D72-Q75 PolarHBondContact O-N 3.4Å; D72-N76 VanDerWaalsContact O-CG 3.23Å; D72-N76 PolarHBondContact O-N 3.44Å; D72-N76 PolarHBondContact O-ND2 3.38Å; D72-N76 PolarHBondContact OD1-ND2 3.32Å; D72-R115 IonicContact OD1-CZ 3.79Å; D72-R115 IonicContact OD1-NH1 3.96Å; D72-R115 PolarHBondContact OD1-NH1 2.95Å; D72-R115 IonicContact OD2-CZ 2.64Å; D72-R115 IonicContact OD2-NH1 3.06Å; D72-R115 PolarHBondContact OD2-NH1 3.16Å; D72-R115 IonicContact OD2-NH2 2.88Å; D72-R115 PolarHBondContact OD2-NH2 3.19Å
73	A	83.6	Confident	72	Confident	7 Å²	7	69.1 Å²	69.1	6%	0.058	37%	0.374	C	S	.	.	H	α-helix	trans	-59.8	-43.8	173.7	0	0	0	0	0	112	E69 W70 N76 V77 I108 F126	E69-A73 WeakPolarHBondContact O-CB 3.27Å; E69-A73 PolarHBondContact O-N 2.89Å; E69-A73 VanDerWaalsContact O-N 3.13Å; W70-A73 PolarHBondContact O-N 3.1Å; A73-N76 PolarHBondContact O-N 2.92Å; A73-V77 WeakPolarHBondContact O-CG2 3.19Å; A73-V77 PolarHBondContact O-N 3.36Å; A73-I108 HydrophobicContact CB-CG2 3.91Å; A73-F126 HydrophobicContact CB-CE2 4.17Å
74	V	85.6	Confident	72.7	Confident	26 Å²	26	72.4 Å²	72.4	16%	0.158	38%	0.378	C	S	.	.	H	α-helix	trans	-61.5	-47.7	175.3	172.4	0	0	0	0	111.4	W70 I71 D72 N76 V77 E78 I108	W70-V74 WeakPolarHBondContact O-CG2 3.35Å; W70-V74 PolarHBondContact O-N 3.39Å; I71-V74 PolarHBondContact O-N 3.11Å; D72-V74 VanDerWaalsContact C-N 3.35Å; D72-V74 PolarHBondContact O-N 3.36Å; V74-N76 PolarHBondContact O-N 3.2Å; V74-V77 CarbonylContact O-C 3.54Å; V74-V77 PolarHBondContact O-N 3.5Å; V74-E78 HydrophobicContact CG1-CG 4.32Å; V74-E78 WeakPolarHBondContact O-CG 3.38Å; V74-E78 PolarHBondContact O-N 3.22Å; V74-I108 HydrophobicContact CG2-CD1 3.91Å
75	Q	85.1	Confident	73	Confident	94 Å²	94	71.1 Å²	71.1	44%	0.439	37%	0.367	S	S	.	.	H	α-helix	trans	-60.4	-33.1	178	-75.3	178.8	-3.4	0	0	112.6	I71 D72 K79	I71-Q75 HydrophobicContact CG2-CG 4.42Å; I71-Q75 WeakPolarHBondContact O-CG 2.98Å; I71-Q75 PolarHBondContact O-N 3.37Å; D72-Q75 PolarHBondContact O-N 3.4Å; Q75-K79 WeakPolarHBondContact O-CD 3.35Å; Q75-K79 WeakPolarHBondContact O-CG 3.45Å; Q75-K79 PolarHBondContact O-N 2.79Å; Q75-K79 VanDerWaalsContact O-N 3.12Å
76	N	82	Confident	72.7	Confident	47 Å²	47	79.6 Å²	79.6	25%	0.251	40%	0.402	S	S	.	.	H	α-helix	trans	-72.8	-36	175.5	-66.4	-41	0	0	0	112	D72 A73 V74 K79 S80	D72-N76 VanDerWaalsContact O-CG 3.23Å; D72-N76 PolarHBondContact O-N 3.44Å; D72-N76 PolarHBondContact O-ND2 3.38Å; D72-N76 PolarHBondContact OD1-ND2 3.32Å; A73-N76 PolarHBondContact O-N 2.92Å; V74-N76 PolarHBondContact O-N 3.2Å; N76-K79 PolarHBondContact O-N 3.23Å; N76-S80 PolarHBondContact O-N 3.44Å; N76-S80 VanDerWaalsContact O-N 3.09Å; N76-S80 PolarHBondContact O-OG 3.23Å
77	V	81.5	Confident	72.1	Confident	4 Å²	4	77.5 Å²	77.5	2%	0.024	41%	0.408	C	S	.	.	H	α-helix	trans	-69.7	-40.1	173.5	170.9	0	0	0	0	111.7	A73 V74 K79 S80 E81 T104 H107 I108 M111	A73-V77 WeakPolarHBondContact O-CG2 3.19Å; A73-V77 PolarHBondContact O-N 3.36Å; V74-V77 CarbonylContact O-C 3.54Å; V74-V77 PolarHBondContact O-N 3.5Å; V77-K79 VanDerWaalsContact C-N 3.28Å; V77-K79 PolarHBondContact O-N 2.77Å; V77-S80 WeakPolarHBondContact CA-OG 3.29Å; V77-S80 CarbonylContact O-C 3.58Å; V77-S80 PolarHBondContact O-N 3.4Å; V77-S80 VanDerWaalsContact O-N 3.07Å; V77-S80 PolarHBondContact O-OG 3.35Å; V77-E81 HydrophobicContact CG1-CG 3.88Å; V77-E81 WeakPolarHBondContact O-CB 3.16Å; V77-E81 PolarHBondContact O-N 3.29Å; V77-T104 HydrophobicContact CG1-CG2 3.78Å; V77-H107 VanDerWaalsContact CG2-CD2 3.48Å; V77-H107 WeakPolarHBondContact CG2-CD2 3.42Å; V77-I108 HydrophobicContact CB-CG1 4.1Å; V77-I108 HydrophobicContact CG1-CG1 4.35Å; V77-I108 HydrophobicContact CG2-CB 4.43Å; V77-I108 HydrophobicContact CG2-CG1 3.63Å; V77-M111 HydrophobicContact CG2-CG 4.2Å
78	E	78.2	Confident	71.1	Confident	110 Å²	110	77.7 Å²	77.7	51%	0.514	41%	0.414	S	S	.	.	H	α-helix	trans	-59.4	-42.1	172.8	-72.3	175.1	171.8	0	0	110.7	V74 S80 L82	V74-E78 HydrophobicContact CG1-CG 4.32Å; V74-E78 WeakPolarHBondContact O-CG 3.38Å; V74-E78 PolarHBondContact O-N 3.22Å; E78-S80 VanDerWaalsContact C-N 3.3Å; E78-S80 PolarHBondContact O-N 3.16Å; E78-L82 WeakPolarHBondContact O-CB 2.84Å; E78-L82 VanDerWaalsContact O-CD1 3.31Å; E78-L82 WeakPolarHBondContact O-CD1 3.23Å; E78-L82 WeakPolarHBondContact O-CG 3.35Å; E78-L82 PolarHBondContact O-N 3.04Å
79	K	76.5	Confident	69.5	Low	138 Å²	138	81.3 Å²	81.3	60%	0.6	43%	0.428	S	S	*	.	H	α-helix	trans	-62.1	-33.7	174.2	-70.7	166.2	-166.4	167.3	0	113.1	Q75 N76 V77	Q75-K79 WeakPolarHBondContact O-CD 3.35Å; Q75-K79 WeakPolarHBondContact O-CG 3.45Å; Q75-K79 PolarHBondContact O-N 2.79Å; Q75-K79 VanDerWaalsContact O-N 3.12Å; N76-K79 PolarHBondContact O-N 3.23Å; V77-K79 VanDerWaalsContact C-N 3.28Å; V77-K79 PolarHBondContact O-N 2.77Å
80	S	71	Confident	68.3	Low	49 Å²	49	84.1 Å²	84.1	34%	0.343	45%	0.45	S	S	.	.	H	α-helix	trans	-84.2	-40.5	178.7	63.8	0	0	0	0	113.3	N76 V77 E78 H107	N76-S80 PolarHBondContact O-N 3.44Å; N76-S80 VanDerWaalsContact O-N 3.09Å; N76-S80 PolarHBondContact O-OG 3.23Å; V77-S80 WeakPolarHBondContact CA-OG 3.29Å; V77-S80 CarbonylContact O-C 3.58Å; V77-S80 PolarHBondContact O-N 3.4Å; V77-S80 VanDerWaalsContact O-N 3.07Å; V77-S80 PolarHBondContact O-OG 3.35Å; E78-S80 VanDerWaalsContact C-N 3.3Å; E78-S80 PolarHBondContact O-N 3.16Å; S80-H107 PolarHBondContact OG-NE2 3.44Å; S80-H107 VanDerWaalsContact OG-NE2 3.16Å
81	E	65.3	Low	67.2	Low	29 Å²	29	91 Å²	91	14%	0.136	49%	0.487	C	S	.	.	H	α-helix	trans	-84.7	-21.9	-175.3	-74.2	-168.8	180	0	0	114.4	V77 L83 H84 L85 W100 T104	V77-E81 HydrophobicContact CG1-CG 3.88Å; V77-E81 WeakPolarHBondContact O-CB 3.16Å; V77-E81 PolarHBondContact O-N 3.29Å; E81-L83 PolarHBondContact O-N 2.89Å; E81-H84 PolarHBondContact O-N 3.06Å; E81-L85 PolarHBondContact O-N 3.14Å; E81-W100 WeakPolarHBondContact OE2-CZ2 3.44Å; E81-W100 PolarHBondContact OE2-NE1 2.97Å; E81-T104 VanDerWaalsContact OE1-CA 3.29Å; E81-T104 WeakPolarHBondContact OE1-CA 3.49Å; E81-T104 PolarHBondContact OE1-OG1 3.45Å; E81-T104 VanDerWaalsContact OE1-OG1 3.11Å; E81-T104 WeakPolarHBondContact OE2-CG2 3.35Å; E81-T104 PolarHBondContact OE2-OG1 2.86Å
82	L	52.2	Low	66.3	Low	121 Å²	121	91.3 Å²	91.3	63%	0.634	49%	0.488	S	S	*	.	H	α-helix	trans	-56.4	-18.6	171.8	-81.1	169.9	0	0	0	112.7	E78	E78-L82 WeakPolarHBondContact O-CB 2.84Å; E78-L82 VanDerWaalsContact O-CD1 3.31Å; E78-L82 WeakPolarHBondContact O-CD1 3.23Å; E78-L82 WeakPolarHBondContact O-CG 3.35Å; E78-L82 PolarHBondContact O-N 3.04Å
83	L	51.1	Low	65.7	Low	153 Å²	153	92.6 Å²	92.6	80%	0.801	50%	0.498	S	S	*	.	H	α-helix	trans	-76.3	-25.3	173.1	-64.6	173.6	0	0	0	113.6	E81	E81-L83 PolarHBondContact O-N 2.89Å
84	H	54.3	Low	65.1	Low	168 Å²	168	96.3 Å²	96.3	78%	0.778	51%	0.51	S	S	*	.	H	α-helix	trans	-96.4	-24.9	-172.9	-128.1	-69.9	0	0	0	113.6	E81	E81-H84 PolarHBondContact O-N 3.06Å
85	L	52.3	Low	64.8	Low	79 Å²	79	95.9 Å²	95.9	41%	0.414	51%	0.508	S	S	.	.	H	α-helix	trans	-86.1	-20.9	-175.5	-81.7	155.8	0	0	0	114.5	E81 G87 W100	E81-L85 PolarHBondContact O-N 3.14Å; L85-G87 PolarHBondContact O-N 2.69Å; L85-W100 HydrophobicContact CD1-CZ2 3.73Å
86	K	50	Low	64.6	Low	196 Å²	196	95.4 Å²	95.4	85%	0.852	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	6.6	-174.3	-141.7	-179.4	-175.6	-177.2	0	114.6
87	G	53.1	Low	64.7	Low	72 Å²	72	96.5 Å²	96.5	74%	0.742	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	-3.6	-174.5	0	0	0	0	0	117	L85	L85-G87 PolarHBondContact O-N 2.69Å
88	S	51.7	Low	64.8	Low	66 Å²	66	98 Å²	98	46%	0.462	52%	0.516	S	S	.	.			trans	-116	74.2	177	74.8	0	0	0	0	111.7
89	D	48.9	Very low	65.2	Low	148 Å²	148	98.3 Å²	98.3	79%	0.791	52%	0.515	S	S	*	.			trans	-73.8	126.7	166.1	-80.2	-35.2	0	0	0	110.1
90	T	56.7	Low	65.7	Low	128 Å²	128	96.1 Å²	96.1	79%	0.785	50%	0.504	S	S	*	.	S	Bend	trans	73.7	107.9	161	65.2	0	0	0	0	118.5
91	N	61.7	Low	66.6	Low	154 Å²	154	96 Å²	96	82%	0.824	50%	0.497	S	S	*	.			trans	86.3	48.1	168	-54.3	-2.1	0	0	0	117.7	T93	N91-T93 PolarHBondContact O-N 3.29Å
92	M	66.7	Low	67.9	Low	89 Å²	89	97.1 Å²	97.1	44%	0.438	50%	0.501	S	S	.	.			trans	-62.9	129	160.2	-165	68.2	80.9	0	0	109.7	E96 I97	M92-E96 HydrophobicContact CG-CB 3.51Å; M92-E96 HydrophobicContact SD-CB 3.27Å; M92-E96 WeakPolarHBondContact SD-CB 3.19Å; M92-E96 VanDerWaalsContact SD-CD 3.56Å; M92-E96 HydrophobicContact SD-CG 3.95Å; M92-I97 HydrophobicContact CB-CD1 4.39Å; M92-I97 HydrophobicContact CB-CG1 3.92Å; M92-I97 HydrophobicContact CG-CG1 3.67Å
93	T	71.6	Confident	69.8	Low	67 Å²	67	98.9 Å²	98.9	41%	0.411	50%	0.499	S	S	.	.			trans	-66	153.7	174.2	62.1	0	0	0	0	110.3	N91 T95 E96 I97	N91-T93 PolarHBondContact O-N 3.29Å; T93-T95 PolarHBondContact O-N 3.36Å; T93-T95 PolarHBondContact OG1-OG1 2.9Å; T93-E96 WeakPolarHBondContact CB-OE2 3.4Å; T93-E96 PolarHBondContact N-OE2 2.82Å; T93-E96 PolarHBondContact O-N 2.83Å; T93-E96 VanDerWaalsContact OG1-CG 3.23Å; T93-E96 WeakPolarHBondContact OG1-CG 3.17Å; T93-E96 PolarHBondContact OG1-N 3.41Å; T93-E96 PolarHBondContact OG1-OE2 3.31Å; T93-I97 PolarHBondContact O-N 3.26Å
94	R	72.4	Confident	71.7	Confident	85 Å²	85	92 Å²	92	32%	0.321	46%	0.464	S	S	.	.	H	α-helix	trans	-56.9	-39.1	178	166.1	-170.7	-172	108.9	-3.4	111.8	E96 I97 R98 D241 D470	R94-E96 VanDerWaalsContact C-N 3.28Å; R94-E96 PolarHBondContact O-N 3.16Å; R94-I97 PolarHBondContact O-N 3.29Å; R94-R98 WeakPolarHBondContact O-CB 3.31Å; R94-R98 PolarHBondContact O-N 3.39Å; R94-D241 WeakPolarHBondContact CB-OD2 3.32Å; R94-D241 WeakPolarHBondContact CD-OD2 3.28Å; R94-D241 WeakPolarHBondContact CG-OD2 3.47Å; R94-D470 IonicContact CZ-OD1 3.57Å; R94-D470 IonicContact NH1-OD1 3.62Å; R94-D470 PolarHBondContact NH1-OD1 3.39Å; R94-D470 IonicContact NH1-OD2 2.65Å; R94-D470 PolarHBondContact NH1-OD2 2.86Å; R94-D470 VanDerWaalsContact NH1-OD2 3.11Å; R94-D470 IonicContact NH2-OD1 2.73Å
95	T	77.9	Confident	73.6	Confident	17 Å²	17	84 Å²	84	10%	0.104	43%	0.427	C	S	.	.	H	α-helix	trans	-59.2	-36.4	174.5	74.4	0	0	0	0	113.4	T93 K99 D241	T93-T95 PolarHBondContact O-N 3.36Å; T93-T95 PolarHBondContact OG1-OG1 2.9Å; T95-K99 VanDerWaalsContact O-CG 3.27Å; T95-K99 WeakPolarHBondContact O-CG 3.4Å; T95-K99 PolarHBondContact O-N 3.08Å; T95-D241 HydrophobicContact CG2-CB 3.66Å; T95-D241 WeakPolarHBondContact CG2-OD2 3.5Å; T95-D241 PolarHBondContact N-OD2 3.13Å
96	E	82.2	Confident	75.6	Confident	83 Å²	83	83 Å²	83	39%	0.388	42%	0.421	S	S	.	.	H	α-helix	trans	-76.7	-39.7	179	-69.8	163.7	144.5	0	0	111.8	M92 T93 R94 R98 K99 W100	M92-E96 HydrophobicContact CG-CB 3.51Å; M92-E96 HydrophobicContact SD-CB 3.27Å; M92-E96 WeakPolarHBondContact SD-CB 3.19Å; M92-E96 VanDerWaalsContact SD-CD 3.56Å; M92-E96 HydrophobicContact SD-CG 3.95Å; T93-E96 WeakPolarHBondContact CB-OE2 3.4Å; T93-E96 PolarHBondContact N-OE2 2.82Å; T93-E96 PolarHBondContact O-N 2.83Å; T93-E96 VanDerWaalsContact OG1-CG 3.23Å; T93-E96 WeakPolarHBondContact OG1-CG 3.17Å; T93-E96 PolarHBondContact OG1-N 3.41Å; T93-E96 PolarHBondContact OG1-OE2 3.31Å; R94-E96 VanDerWaalsContact C-N 3.28Å; R94-E96 PolarHBondContact O-N 3.16Å; E96-R98 VanDerWaalsContact C-N 3.26Å; E96-R98 PolarHBondContact O-N 3.23Å; E96-K99 PolarHBondContact O-N 3.37Å; E96-W100 WeakPolarHBondContact O-CB 3.35Å; E96-W100 PolarHBondContact O-N 3.23Å
97	I	83.6	Confident	77.6	Confident	70 Å²	70	76.6 Å²	76.6	36%	0.359	40%	0.395	S	S	.	.	H	α-helix	trans	-56.4	-45.6	171	-65.2	172.2	0	0	0	109.6	M92 T93 R94 W100 K101	M92-I97 HydrophobicContact CB-CD1 4.39Å; M92-I97 HydrophobicContact CB-CG1 3.92Å; M92-I97 HydrophobicContact CG-CG1 3.67Å; T93-I97 PolarHBondContact O-N 3.26Å; R94-I97 PolarHBondContact O-N 3.29Å; I97-W100 WeakPolarHBondContact O-CB 3.25Å; I97-W100 PolarHBondContact O-N 3Å; I97-K101 HydrophobicContact CG2-CD 4.4Å; I97-K101 HydrophobicContact CG2-CG 4.48Å; I97-K101 WeakPolarHBondContact O-CG 3.45Å; I97-K101 PolarHBondContact O-N 3.12Å
98	R	83.6	Confident	79.5	Confident	36 Å²	36	73.2 Å²	73.2	14%	0.136	36%	0.359	C	S	.	.	H	α-helix	trans	-64.8	-43.6	178.3	-170.4	178.5	-173.1	-169.3	5.5	112.6	R94 E96 W100 K101 K102 E138 D141 D238	R94-R98 WeakPolarHBondContact O-CB 3.31Å; R94-R98 PolarHBondContact O-N 3.39Å; E96-R98 VanDerWaalsContact C-N 3.26Å; E96-R98 PolarHBondContact O-N 3.23Å; R98-W100 VanDerWaalsContact C-N 3.27Å; R98-W100 PolarHBondContact O-N 3.07Å; R98-K101 PolarHBondContact O-N 3.33Å; R98-K102 WeakPolarHBondContact O-CB 3.36Å; R98-K102 PolarHBondContact O-N 2.97Å; R98-E138 HydrophobicContact CG-CB 4.27Å; R98-E138 PolarHBondContact NE-O 2.77Å; R98-E138 PolarHBondContact NH2-O 3.5Å; R98-D141 IonicContact CZ-OD1 3.32Å; R98-D141 IonicContact CZ-OD2 3.15Å; R98-D141 IonicContact NH1-OD2 3.8Å; R98-D141 IonicContact NH2-OD1 3.83Å; R98-D141 PolarHBondContact NH2-OD1 3.02Å; R98-D141 IonicContact NH2-OD2 3.11Å; R98-D141 PolarHBondContact NH2-OD2 2.66Å; R98-D238 IonicContact CZ-OD1 2.8Å; R98-D238 VanDerWaalsContact NH1-CG 3.32Å; R98-D238 IonicContact NH1-OD1 3.77Å; R98-D238 PolarHBondContact NH1-OD1 3.1Å; R98-D238 IonicContact NH1-OD2 2.83Å; R98-D238 PolarHBondContact NH1-OD2 3.24Å
99	K	87.1	Confident	81.5	Confident	116 Å²	116	70.2 Å²	70.2	50%	0.504	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-40.3	173.4	-76.8	169.5	-173.6	168	0	111.3	T95 E96 R103	T95-K99 VanDerWaalsContact O-CG 3.27Å; T95-K99 WeakPolarHBondContact O-CG 3.4Å; T95-K99 PolarHBondContact O-N 3.08Å; E96-K99 PolarHBondContact O-N 3.37Å; K99-R103 WeakPolarHBondContact O-CG 3.48Å; K99-R103 PolarHBondContact O-N 3.05Å
100	W	87.4	Confident	83.6	Confident	93 Å²	93	67.2 Å²	67.2	35%	0.352	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-53.4	174.7	172.9	75	0	0	0	111.1	E81 L85 E96 I97 R98 K102 R103 T104	E81-W100 WeakPolarHBondContact OE2-CZ2 3.44Å; E81-W100 PolarHBondContact OE2-NE1 2.97Å; L85-W100 HydrophobicContact CD1-CZ2 3.73Å; E96-W100 WeakPolarHBondContact O-CB 3.35Å; E96-W100 PolarHBondContact O-N 3.23Å; I97-W100 WeakPolarHBondContact O-CB 3.25Å; I97-W100 PolarHBondContact O-N 3Å; R98-W100 VanDerWaalsContact C-N 3.27Å; R98-W100 PolarHBondContact O-N 3.07Å; W100-K102 PolarHBondContact O-N 3.16Å; W100-R103 CarbonylContact O-C 3.59Å; W100-R103 WeakPolarHBondContact O-CA 3.44Å; W100-R103 WeakPolarHBondContact O-CB 3.47Å; W100-R103 PolarHBondContact O-N 3.25Å; W100-T104 PolarHBondContact O-N 2.91Å; W100-T104 PolarHBondContact O-OG1 3.12Å; W100-T104 VanDerWaalsContact O-OG1 3.1Å
101	K	89.9	Confident	85.1	Confident	46 Å²	46	63.5 Å²	63.5	20%	0.2	29%	0.294	C	S	.	.	H	α-helix	trans	-53.2	-41	175.6	-71	-178.5	175.6	-170.6	0	112.6	I97 R98 T104 F105 Y137 E138	I97-K101 HydrophobicContact CG2-CD 4.4Å; I97-K101 HydrophobicContact CG2-CG 4.48Å; I97-K101 WeakPolarHBondContact O-CG 3.45Å; I97-K101 PolarHBondContact O-N 3.12Å; R98-K101 PolarHBondContact O-N 3.33Å; K101-T104 PolarHBondContact O-N 3.32Å; K101-F105 WeakPolarHBondContact O-CB 3.47Å; K101-F105 PolarHBondContact O-N 2.86Å; K101-Y137 HydrophobicContact CB-CD1 4.45Å; K101-Y137 VanDerWaalsContact CB-O 3.28Å; K101-Y137 WeakPolarHBondContact CB-O 3.43Å; K101-E138 HydrophobicContact CD-CG 4.44Å; K101-E138 IonicContact NZ-OE1 2.94Å; K101-E138 PolarHBondContact NZ-OE1 2.8Å
102	K	91.7	Very high	86.5	Confident	52 Å²	52	56.5 Å²	56.5	23%	0.226	26%	0.256	C	S	.	.	H	α-helix	trans	-59.7	-47.4	173.3	176.2	177	176.4	174.5	0	111.7	R98 W100 F105 L106 V139 D142 D144	R98-K102 WeakPolarHBondContact O-CB 3.36Å; R98-K102 PolarHBondContact O-N 2.97Å; W100-K102 PolarHBondContact O-N 3.16Å; K102-F105 PolarHBondContact O-N 2.95Å; K102-L106 HydrophobicContact CG-CD1 4.11Å; K102-L106 WeakPolarHBondContact O-CG 3.38Å; K102-L106 PolarHBondContact O-N 3.4Å; K102-V139 HydrophobicContact CB-CG1 3.98Å; K102-V139 HydrophobicContact CG-CG1 4.29Å; K102-D142 WeakPolarHBondContact CD-OD2 2.84Å; K102-D142 WeakPolarHBondContact CE-OD2 3.5Å; K102-D142 IonicContact NZ-OD1 3.89Å; K102-D142 IonicContact NZ-OD2 3.99Å; K102-D142 PolarHBondContact NZ-OD2 2.98Å; K102-D144 IonicContact NZ-OD2 2.62Å
103	R	91.5	Very high	87.6	Confident	158 Å²	158	54.1 Å²	54.1	60%	0.596	24%	0.244	S	C	*	.	H	α-helix	trans	-62.5	-45.7	177.7	-71.7	-179.4	-164.3	116.1	-5.2	111.3	K99 W100 F105 L106 H107	K99-R103 WeakPolarHBondContact O-CG 3.48Å; K99-R103 PolarHBondContact O-N 3.05Å; W100-R103 CarbonylContact O-C 3.59Å; W100-R103 WeakPolarHBondContact O-CA 3.44Å; W100-R103 WeakPolarHBondContact O-CB 3.47Å; W100-R103 PolarHBondContact O-N 3.25Å; R103-F105 VanDerWaalsContact C-N 3.35Å; R103-F105 PolarHBondContact O-N 3.47Å; R103-L106 PolarHBondContact O-N 3.4Å; R103-H107 WeakPolarHBondContact O-CB 3.33Å; R103-H107 PolarHBondContact O-N 3.23Å
104	T	91.1	Very high	88.4	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.055	25%	0.252	C	S	.	.	H	α-helix	trans	-57.5	-47.7	176	-51.7	0	0	0	0	110.8	V77 E81 W100 K101 L106 H107 I108 Y137	V77-T104 HydrophobicContact CG1-CG2 3.78Å; E81-T104 VanDerWaalsContact OE1-CA 3.29Å; E81-T104 WeakPolarHBondContact OE1-CA 3.49Å; E81-T104 PolarHBondContact OE1-OG1 3.45Å; E81-T104 VanDerWaalsContact OE1-OG1 3.11Å; E81-T104 WeakPolarHBondContact OE2-CG2 3.35Å; E81-T104 PolarHBondContact OE2-OG1 2.86Å; W100-T104 PolarHBondContact O-N 2.91Å; W100-T104 PolarHBondContact O-OG1 3.12Å; W100-T104 VanDerWaalsContact O-OG1 3.1Å; K101-T104 PolarHBondContact O-N 3.32Å; T104-L106 PolarHBondContact O-N 3.12Å; T104-H107 PolarHBondContact O-N 3.18Å; T104-I108 HydrophobicContact CG2-CD1 4.22Å; T104-I108 VanDerWaalsContact O-CG1 3.28Å; T104-I108 WeakPolarHBondContact O-CG1 3.27Å; T104-I108 PolarHBondContact O-N 3.48Å; T104-Y137 HydrophobicContact CG2-CE1 3.98Å
105	F	94.5	Very high	89.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-49.5	176.3	-178	-98.4	0	0	0	112.1	W70 K101 K102 R103 H107 I108 L109 A130 M134 Y137 V139 C145 V149	W70-F105 HydrophobicContact CH2-CD2 4.05Å; W70-F105 AromaticContact CH2-CE2 3.76Å; W70-F105 HydrophobicContact CH2-CE2 3.76Å; K101-F105 WeakPolarHBondContact O-CB 3.47Å; K101-F105 PolarHBondContact O-N 2.86Å; K102-F105 PolarHBondContact O-N 2.95Å; R103-F105 VanDerWaalsContact C-N 3.35Å; R103-F105 PolarHBondContact O-N 3.47Å; F105-H107 VanDerWaalsContact C-N 3.29Å; F105-H107 PolarHBondContact O-N 2.81Å; F105-I108 WeakPolarHBondContact O-CB 3.49Å; F105-I108 PolarHBondContact O-N 2.96Å; F105-L109 HydrophobicContact CD1-CD1 4.11Å; F105-L109 HydrophobicContact CD1-CG 4.46Å; F105-L109 HydrophobicContact CE1-CD1 3.6Å; F105-L109 HydrophobicContact CE1-CD2 4.48Å; F105-L109 HydrophobicContact CE1-CG 4.18Å; F105-L109 HydrophobicContact CZ-CD1 4.14Å; F105-L109 HydrophobicContact CZ-CD2 4.27Å; F105-L109 HydrophobicContact CZ-CG 4.45Å; F105-L109 WeakPolarHBondContact O-CG 3.5Å; F105-L109 PolarHBondContact O-N 3.26Å; F105-A130 HydrophobicContact CZ-CB 4.42Å; F105-M134 HydrophobicContact CE2-CG 4.04Å; F105-M134 HydrophobicContact CZ-CG 3.73Å; F105-Y137 HydrophobicContact CB-CD1 4.05Å; F105-Y137 HydrophobicContact CB-CG 4.03Å; F105-Y137 AromaticContact CD2-CD2 3.81Å; F105-Y137 HydrophobicContact CD2-CD2 3.81Å; F105-Y137 HydrophobicContact CD2-CE2 4.37Å; F105-Y137 AromaticContact CD2-CG 3.98Å; F105-Y137 HydrophobicContact CD2-CG 3.98Å; F105-Y137 HydrophobicContact CG-CG 4.43Å; F105-V139 HydrophobicContact CB-CG1 4.37Å; F105-V139 HydrophobicContact CD1-CG2 3.92Å; F105-V139 HydrophobicContact CD2-CG2 4.17Å; F105-V139 HydrophobicContact CE1-CG2 4.05Å; F105-V139 HydrophobicContact CE2-CG2 4.3Å; F105-V139 HydrophobicContact CG-CG2 3.97Å; F105-V139 HydrophobicContact CZ-CG2 4.25Å; F105-C145 HydrophobicContact CD1-CB 4.28Å; F105-C145 HydrophobicContact CE1-CB 4.07Å; F105-V149 HydrophobicContact CE1-CG2 4.14Å; F105-V149 HydrophobicContact CZ-CG2 3.99Å
106	L	94.7	Very high	89.5	Confident	57 Å²	57	60.8 Å²	60.8	30%	0.298	27%	0.27	S	S	.	.	H	α-helix	trans	-62.2	-37.2	177.7	-70.1	174.6	0	0	0	112.3	K102 R103 T104 L109 E110 A148	K102-L106 HydrophobicContact CG-CD1 4.11Å; K102-L106 WeakPolarHBondContact O-CG 3.38Å; K102-L106 PolarHBondContact O-N 3.4Å; R103-L106 PolarHBondContact O-N 3.4Å; T104-L106 PolarHBondContact O-N 3.12Å; L106-L109 PolarHBondContact O-N 2.68Å; L106-E110 WeakPolarHBondContact O-CB 3.4Å; L106-E110 PolarHBondContact O-N 3.01Å; L106-A148 HydrophobicContact CD2-CB 3.51Å
107	H	92.2	Very high	89.6	Confident	63 Å²	63	58 Å²	58	29%	0.292	26%	0.264	S	S	.	.	H	α-helix	trans	-65.8	-41	177	-171.2	43.1	0	0	0	111.6	V77 S80 R103 T104 F105 L109 E110 M111	V77-H107 VanDerWaalsContact CG2-CD2 3.48Å; V77-H107 WeakPolarHBondContact CG2-CD2 3.42Å; S80-H107 PolarHBondContact OG-NE2 3.44Å; S80-H107 VanDerWaalsContact OG-NE2 3.16Å; R103-H107 WeakPolarHBondContact O-CB 3.33Å; R103-H107 PolarHBondContact O-N 3.23Å; T104-H107 PolarHBondContact O-N 3.18Å; F105-H107 VanDerWaalsContact C-N 3.29Å; F105-H107 PolarHBondContact O-N 2.81Å; H107-L109 VanDerWaalsContact C-N 3.32Å; H107-L109 PolarHBondContact O-N 2.64Å; H107-E110 PolarHBondContact O-N 3.48Å; H107-M111 WeakPolarHBondContact O-CB 3.31Å; H107-M111 WeakPolarHBondContact O-CG 3.26Å; H107-M111 PolarHBondContact O-N 3.32Å
108	I	92.9	Very high	89.5	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-45.3	173.4	-68.7	163.4	0	0	0	110.9	W70 A73 V74 V77 T104 F105 M111 F112 F126 Y137	W70-I108 HydrophobicContact CE3-CG2 4.29Å; W70-I108 HydrophobicContact CH2-CG2 3.91Å; W70-I108 HydrophobicContact CZ2-CD1 4.41Å; W70-I108 HydrophobicContact CZ2-CG2 4.26Å; W70-I108 HydrophobicContact CZ3-CG2 3.92Å; A73-I108 HydrophobicContact CB-CG2 3.91Å; V74-I108 HydrophobicContact CG2-CD1 3.91Å; V77-I108 HydrophobicContact CB-CG1 4.1Å; V77-I108 HydrophobicContact CG1-CG1 4.35Å; V77-I108 HydrophobicContact CG2-CB 4.43Å; V77-I108 HydrophobicContact CG2-CG1 3.63Å; T104-I108 HydrophobicContact CG2-CD1 4.22Å; T104-I108 VanDerWaalsContact O-CG1 3.28Å; T104-I108 WeakPolarHBondContact O-CG1 3.27Å; T104-I108 PolarHBondContact O-N 3.48Å; F105-I108 WeakPolarHBondContact O-CB 3.49Å; F105-I108 PolarHBondContact O-N 2.96Å; I108-M111 PolarHBondContact O-N 3.4Å; I108-F112 PolarHBondContact O-N 3.2Å; I108-F126 HydrophobicContact CG2-CZ 4.08Å; I108-Y137 HydrophobicContact CD1-CE1 4.04Å; I108-Y137 VanDerWaalsContact CD1-OH 3.26Å; I108-Y137 WeakPolarHBondContact CD1-OH 3.29Å
109	L	94	Very high	89.2	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-43.1	178.8	-58.1	-175.4	0	0	0	111.9	W70 F105 L106 H107 F112 I113 F126 A130 A148 V149 L152	W70-L109 HydrophobicContact CZ3-CD2 4.29Å; F105-L109 HydrophobicContact CD1-CD1 4.11Å; F105-L109 HydrophobicContact CD1-CG 4.46Å; F105-L109 HydrophobicContact CE1-CD1 3.6Å; F105-L109 HydrophobicContact CE1-CD2 4.48Å; F105-L109 HydrophobicContact CE1-CG 4.18Å; F105-L109 HydrophobicContact CZ-CD1 4.14Å; F105-L109 HydrophobicContact CZ-CD2 4.27Å; F105-L109 HydrophobicContact CZ-CG 4.45Å; F105-L109 WeakPolarHBondContact O-CG 3.5Å; F105-L109 PolarHBondContact O-N 3.26Å; L106-L109 PolarHBondContact O-N 2.68Å; H107-L109 VanDerWaalsContact C-N 3.32Å; H107-L109 PolarHBondContact O-N 2.64Å; L109-F112 WeakPolarHBondContact O-CB 3.32Å; L109-F112 PolarHBondContact O-N 3.4Å; L109-I113 WeakPolarHBondContact O-CG1 3.49Å; L109-I113 PolarHBondContact O-N 3.05Å; L109-F126 HydrophobicContact CD2-CE1 3.77Å; L109-F126 HydrophobicContact CD2-CZ 4.38Å; L109-A130 HydrophobicContact CD2-CB 4.22Å; L109-A148 HydrophobicContact CD1-CB 3.68Å; L109-V149 HydrophobicContact CD1-CG2 3.81Å; L109-V149 HydrophobicContact CD2-CG2 4.49Å; L109-L152 HydrophobicContact CD2-CD1 4.17Å
110	E	91.7	Very high	89	Confident	85 Å²	85	57.3 Å²	57.3	40%	0.397	28%	0.276	S	S	.	.	H	α-helix	trans	-64.2	-42	178.6	-177.9	55.6	-147.6	0	0	111.4	L106 H107 F112 I113 Q114	L106-E110 WeakPolarHBondContact O-CB 3.4Å; L106-E110 PolarHBondContact O-N 3.01Å; H107-E110 PolarHBondContact O-N 3.48Å; E110-F112 VanDerWaalsContact C-N 3.27Å; E110-F112 PolarHBondContact O-N 3.49Å; E110-I113 WeakPolarHBondContact O-CB 3.46Å; E110-I113 PolarHBondContact O-N 3.08Å; E110-I113 VanDerWaalsContact O-N 3.08Å; E110-Q114 WeakPolarHBondContact O-CG 3.28Å; E110-Q114 PolarHBondContact O-N 3.27Å; E110-Q114 PolarHBondContact OE1-NE2 3.12Å
111	M	88.8	Confident	88.9	Confident	50 Å²	50	60.3 Å²	60.3	25%	0.246	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-38.3	175.8	-77.1	-52.2	-39.4	0	0	112.5	V77 H107 I108 Q114 R115	V77-M111 HydrophobicContact CG2-CG 4.2Å; H107-M111 WeakPolarHBondContact O-CB 3.31Å; H107-M111 WeakPolarHBondContact O-CG 3.26Å; H107-M111 PolarHBondContact O-N 3.32Å; I108-M111 PolarHBondContact O-N 3.4Å; M111-Q114 PolarHBondContact O-N 2.88Å; M111-R115 WeakPolarHBondContact O-CB 3.04Å; M111-R115 PolarHBondContact O-N 3.4Å
112	F	90.2	Very high	88.8	Confident	7 Å²	7	59.7 Å²	59.7	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-42.5	174.2	175.5	-89.6	0	0	0	112.1	E69 I108 L109 E110 Q114 R115 S116 K121 F123 F126 L152	E69-F112 WeakPolarHBondContact OE2-CE2 3.44Å; I108-F112 PolarHBondContact O-N 3.2Å; L109-F112 WeakPolarHBondContact O-CB 3.32Å; L109-F112 PolarHBondContact O-N 3.4Å; E110-F112 VanDerWaalsContact C-N 3.27Å; E110-F112 PolarHBondContact O-N 3.49Å; F112-Q114 VanDerWaalsContact C-N 3.34Å; F112-Q114 PolarHBondContact O-N 3.44Å; F112-R115 PolarHBondContact O-N 3.34Å; F112-S116 WeakPolarHBondContact CE2-OG 3.49Å; F112-S116 WeakPolarHBondContact CZ-OG 3.37Å; F112-S116 VanDerWaalsContact O-CB 3.23Å; F112-S116 WeakPolarHBondContact O-CB 3.49Å; F112-S116 PolarHBondContact O-N 3.3Å; F112-S116 PolarHBondContact O-OG 3.19Å; F112-S116 VanDerWaalsContact O-OG 3.13Å; F112-K121 WeakPolarHBondContact CZ-O 3.46Å; F112-F123 HydrophobicContact CE1-CB 4.02Å; F112-F123 HydrophobicContact CZ-CB 4.02Å; F112-F126 HydrophobicContact CB-CD1 4.27Å; F112-F126 HydrophobicContact CB-CE1 3.65Å; F112-F126 HydrophobicContact CB-CE2 3.97Å; F112-F126 HydrophobicContact CB-CZ 3.48Å; F112-F126 VanDerWaalsContact CB-CZ 3.48Å; F112-F126 AromaticContact CD1-CD1 3.99Å; F112-F126 HydrophobicContact CD1-CD1 3.99Å; F112-F126 HydrophobicContact CD1-CE1 4.12Å; F112-F126 HydrophobicContact CD1-CG 4.42Å; F112-F126 HydrophobicContact CD2-CB 4.26Å; F112-F126 AromaticContact CD2-CD1 3.93Å; F112-F126 HydrophobicContact CD2-CD1 3.93Å; F112-F126 AromaticContact CD2-CD2 3.51Å; F112-F126 HydrophobicContact CD2-CD2 3.51Å; F112-F126 HydrophobicContact CD2-CE1 4.1Å; F112-F126 AromaticContact CD2-CE2 3.7Å; F112-F126 HydrophobicContact CD2-CE2 3.7Å; F112-F126 AromaticContact CD2-CG 3.63Å; F112-F126 HydrophobicContact CD2-CG 3.63Å; F112-F126 AromaticContact CD2-CZ 4Å; F112-F126 HydrophobicContact CD2-CZ 4Å; F112-F126 HydrophobicContact CE1-CD1 4.3Å; F112-F126 HydrophobicContact CE2-CB 3.85Å; F112-F126 HydrophobicContact CE2-CD1 4.27Å; F112-F126 AromaticContact CE2-CD2 3.9Å; F112-F126 HydrophobicContact CE2-CD2 3.9Å; F112-F126 AromaticContact CE2-CG 3.74Å; F112-F126 HydrophobicContact CE2-CG 3.74Å; F112-F126 AromaticContact CG-CD1 3.78Å; F112-F126 HydrophobicContact CG-CD1 3.78Å; F112-F126 HydrophobicContact CG-CD2 4.11Å; F112-F126 AromaticContact CG-CE1 3.68Å; F112-F126 HydrophobicContact CG-CE1 3.68Å; F112-F126 HydrophobicContact CG-CE2 4.01Å; F112-F126 AromaticContact CG-CG 3.99Å; F112-F126 HydrophobicContact CG-CG 3.99Å; F112-F126 AromaticContact CG-CZ 3.81Å; F112-F126 HydrophobicContact CG-CZ 3.81Å; F112-F126 HydrophobicContact CZ-CB 4.05Å; F112-F126 HydrophobicContact CZ-CD1 4.44Å; F112-F126 HydrophobicContact CZ-CG 4.19Å; F112-L152 HydrophobicContact CD1-CD2 3.64Å; F112-L152 HydrophobicContact CE1-CD2 4.2Å
113	I	90.3	Very high	88.8	Confident	38 Å²	38	58.1 Å²	58.1	20%	0.195	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-45.8	178.3	-66.4	171	0	0	0	110.4	L109 E110 R115 G117 L152	L109-I113 WeakPolarHBondContact O-CG1 3.49Å; L109-I113 PolarHBondContact O-N 3.05Å; E110-I113 WeakPolarHBondContact O-CB 3.46Å; E110-I113 PolarHBondContact O-N 3.08Å; E110-I113 VanDerWaalsContact O-N 3.08Å; I113-R115 PolarHBondContact O-N 2.89Å; I113-G117 PolarHBondContact O-N 2.88Å; I113-L152 HydrophobicContact CD1-CD2 4.05Å; I113-L152 HydrophobicContact CG1-CD2 3.69Å
114	Q	89	Confident	88.8	Confident	120 Å²	120	52 Å²	52	56%	0.561	27%	0.271	S	S	*	.	H	α-helix	trans	-63.3	-41.8	-179.6	-68.4	176.5	8.7	0	0	112	E110 M111 F112	E110-Q114 WeakPolarHBondContact O-CG 3.28Å; E110-Q114 PolarHBondContact O-N 3.27Å; E110-Q114 PolarHBondContact OE1-NE2 3.12Å; M111-Q114 PolarHBondContact O-N 2.88Å; F112-Q114 VanDerWaalsContact C-N 3.34Å; F112-Q114 PolarHBondContact O-N 3.44Å
115	R	87.8	Confident	88.9	Confident	160 Å²	160	53.5 Å²	53.5	60%	0.604	28%	0.282	S	S	*	.	H	α-helix	trans	-75.5	-44.6	-178.9	179.9	176.3	176.5	160.1	-9.1	113.7	D72 M111 F112 I113 G117	D72-R115 IonicContact OD1-CZ 3.79Å; D72-R115 IonicContact OD1-NH1 3.96Å; D72-R115 PolarHBondContact OD1-NH1 2.95Å; D72-R115 IonicContact OD2-CZ 2.64Å; D72-R115 IonicContact OD2-NH1 3.06Å; D72-R115 PolarHBondContact OD2-NH1 3.16Å; D72-R115 IonicContact OD2-NH2 2.88Å; D72-R115 PolarHBondContact OD2-NH2 3.19Å; M111-R115 WeakPolarHBondContact O-CB 3.04Å; M111-R115 PolarHBondContact O-N 3.4Å; F112-R115 PolarHBondContact O-N 3.34Å; I113-R115 PolarHBondContact O-N 2.89Å; R115-G117 PolarHBondContact O-N 2.69Å
116	S	85.7	Confident	88.9	Confident	29 Å²	29	53.6 Å²	53.6	20%	0.203	28%	0.283	C	S	.	.	H	α-helix	trans	-77.7	-11.3	-172.7	-61.7	0	0	0	0	113.1	F112 R120	F112-S116 WeakPolarHBondContact CE2-OG 3.49Å; F112-S116 WeakPolarHBondContact CZ-OG 3.37Å; F112-S116 VanDerWaalsContact O-CB 3.23Å; F112-S116 WeakPolarHBondContact O-CB 3.49Å; F112-S116 PolarHBondContact O-N 3.3Å; F112-S116 PolarHBondContact O-OG 3.19Å; F112-S116 VanDerWaalsContact O-OG 3.13Å; S116-R120 PolarHBondContact O-N 3.15Å
117	G	83.7	Confident	88.9	Confident	26 Å²	26	50.9 Å²	50.9	27%	0.268	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	62	-164.1	176.8	0	0	0	0	0	113.7	I113 R115 S119 R120	I113-G117 PolarHBondContact O-N 2.88Å; R115-G117 PolarHBondContact O-N 2.69Å; G117-S119 PolarHBondContact O-N 2.67Å; G117-S119 VanDerWaalsContact O-N 3.1Å; G117-R120 VanDerWaalsContact O-CG 3.25Å; G117-R120 WeakPolarHBondContact O-CG 3.06Å; G117-R120 PolarHBondContact O-N 3.21Å; G117-R120 VanDerWaalsContact O-N 3.11Å
118	P	80.8	Confident	89	Confident	117 Å²	117	51 Å²	51	76%	0.76	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-63	-21.5	-176.6	-23.2	33.2	0	0	0	114.3	R157	P118-R157 PolarHBondContact O-NH2 3.25Å
119	S	77.7	Confident	89.1	Confident	45 Å²	45	51.2 Å²	51.2	32%	0.315	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-82.8	-19.1	179.9	-166	0	0	0	0	113.7	G117 K121 R157	G117-S119 PolarHBondContact O-N 2.67Å; G117-S119 VanDerWaalsContact O-N 3.1Å; S119-K121 PolarHBondContact O-N 2.84Å; S119-K121 VanDerWaalsContact O-N 3.15Å; S119-R157 PolarHBondContact OG-NH1 3.39Å; S119-R157 VanDerWaalsContact OG-NH1 3.11Å
120	R	83.9	Confident	89.2	Confident	44 Å²	44	51.1 Å²	51.1	17%	0.166	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.8	49.9	-179.4	-56.5	-172.5	-175.5	162.2	-8.4	112.2	S116 G117 F123 R151 L152 F153	S116-R120 PolarHBondContact O-N 3.15Å; G117-R120 VanDerWaalsContact O-CG 3.25Å; G117-R120 WeakPolarHBondContact O-CG 3.06Å; G117-R120 PolarHBondContact O-N 3.21Å; G117-R120 VanDerWaalsContact O-N 3.11Å; R120-F123 HydrophobicContact CB-CB 4.23Å; R120-F123 VanDerWaalsContact O-CB 3.32Å; R120-F123 WeakPolarHBondContact O-CB 3.48Å; R120-F123 WeakPolarHBondContact O-CD1 3.48Å; R120-F123 PolarHBondContact O-N 3.26Å; R120-R151 PolarHBondContact NH1-O 2.97Å; R120-R151 PolarHBondContact NH2-O 3.15Å; R120-L152 WeakPolarHBondContact CD-O 3.43Å; R120-L152 PolarHBondContact NH1-O 3.27Å; R120-F153 PolarHBondContact NH1-O 3.34Å
121	K	84.9	Confident	89.3	Confident	156 Å²	156	47.5 Å²	47.5	68%	0.678	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	145.8	-179	-68.3	-175.9	178.9	178.8	0	109.5	F112 S119 F123	F112-K121 WeakPolarHBondContact CZ-O 3.46Å; S119-K121 PolarHBondContact O-N 2.84Å; S119-K121 VanDerWaalsContact O-N 3.15Å; K121-F123 PolarHBondContact O-N 3.23Å; K121-F123 VanDerWaalsContact O-N 3.16Å
122	G	87.4	Confident	89.6	Confident	33 Å²	33	50.6 Å²	50.6	34%	0.34	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-5.7	179.6	0	0	0	0	0	116	T124 S125 F126	G122-T124 PolarHBondContact O-N 3.01Å; G122-S125 PolarHBondContact O-N 3.34Å; G122-F126 PolarHBondContact O-N 3.24Å; G122-F126 VanDerWaalsContact O-N 3.12Å
123	F	92	Very high	89.8	Confident	20 Å²	20	53.7 Å²	53.7	9%	0.088	28%	0.283	C	S	.	.	H	α-helix	trans	-53	-33.8	-171	77.6	-81.5	0	0	0	115.1	F112 R120 K121 F126 I127 F153 P154 M158 Q174	F112-F123 HydrophobicContact CE1-CB 4.02Å; F112-F123 HydrophobicContact CZ-CB 4.02Å; R120-F123 HydrophobicContact CB-CB 4.23Å; R120-F123 VanDerWaalsContact O-CB 3.32Å; R120-F123 WeakPolarHBondContact O-CB 3.48Å; R120-F123 WeakPolarHBondContact O-CD1 3.48Å; R120-F123 PolarHBondContact O-N 3.26Å; K121-F123 PolarHBondContact O-N 3.23Å; K121-F123 VanDerWaalsContact O-N 3.16Å; F123-F126 PolarHBondContact O-N 3.46Å; F123-I127 HydrophobicContact CD2-CD1 3.73Å; F123-I127 HydrophobicContact CE2-CD1 4.38Å; F123-I127 WeakPolarHBondContact O-CB 3.47Å; F123-I127 WeakPolarHBondContact O-CG1 3.39Å; F123-I127 PolarHBondContact O-N 2.82Å; F123-F153 HydrophobicContact CD2-CD1 4.32Å; F123-F153 AromaticContact CE2-CD1 3.5Å; F123-F153 HydrophobicContact CE2-CD1 3.5Å; F123-F153 AromaticContact CE2-CE1 3.8Å; F123-F153 HydrophobicContact CE2-CE1 3.8Å; F123-F153 HydrophobicContact CE2-CG 4.14Å; F123-F153 HydrophobicContact CZ-CD1 4.31Å; F123-P154 HydrophobicContact CE1-CG 4.11Å; F123-P154 HydrophobicContact CZ-CG 4.21Å; F123-M158 HydrophobicContact CZ-SD 4.09Å; F123-Q174 HydrophobicContact CE2-CG 4.4Å; F123-Q174 HydrophobicContact CZ-CG 3.86Å
124	T	92.2	Very high	90	Very high	28 Å²	28	51.9 Å²	51.9	17%	0.172	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-45.9	-179.9	-53.2	0	0	0	0	111.4	G122 Q128 V177	G122-T124 PolarHBondContact O-N 3.01Å; T124-Q128 WeakPolarHBondContact O-CG 3.23Å; T124-Q128 PolarHBondContact O-N 3.4Å; T124-Q128 VanDerWaalsContact O-N 3.12Å; T124-V177 HydrophobicContact CG2-CB 4.47Å; T124-V177 HydrophobicContact CG2-CG2 3.58Å
125	S	91.8	Very high	90.1	Very high	42 Å²	42	49 Å²	49	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-69.3	-39.9	176.6	-62	0	0	0	0	111.1	G122 I127 Q128 N129	G122-S125 PolarHBondContact O-N 3.34Å; S125-I127 PolarHBondContact O-N 2.87Å; S125-Q128 PolarHBondContact O-N 3.2Å; S125-N129 PolarHBondContact O-N 3.39Å
126	F	94.3	Very high	90.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-43.2	175.4	-171.9	-94.9	0	0	0	112.4	E69 W70 A73 I108 L109 F112 G122 F123 N129 A130 L152	E69-F126 HydrophobicContact CB-CD2 4.13Å; W70-F126 HydrophobicContact CB-CE2 4.45Å; W70-F126 HydrophobicContact CE3-CD2 4.19Å; W70-F126 HydrophobicContact CE3-CE1 4.33Å; W70-F126 AromaticContact CE3-CE2 3.69Å; W70-F126 HydrophobicContact CE3-CE2 3.69Å; W70-F126 AromaticContact CE3-CZ 3.76Å; W70-F126 HydrophobicContact CE3-CZ 3.76Å; W70-F126 HydrophobicContact CZ3-CE1 4.25Å; W70-F126 HydrophobicContact CZ3-CE2 4.32Å; W70-F126 AromaticContact CZ3-CZ 3.92Å; W70-F126 HydrophobicContact CZ3-CZ 3.92Å; A73-F126 HydrophobicContact CB-CE2 4.17Å; I108-F126 HydrophobicContact CG2-CZ 4.08Å; L109-F126 HydrophobicContact CD2-CE1 3.77Å; L109-F126 HydrophobicContact CD2-CZ 4.38Å; F112-F126 HydrophobicContact CB-CD1 4.27Å; F112-F126 HydrophobicContact CB-CE1 3.65Å; F112-F126 HydrophobicContact CB-CE2 3.97Å; F112-F126 HydrophobicContact CB-CZ 3.48Å; F112-F126 VanDerWaalsContact CB-CZ 3.48Å; F112-F126 AromaticContact CD1-CD1 3.99Å; F112-F126 HydrophobicContact CD1-CD1 3.99Å; F112-F126 HydrophobicContact CD1-CE1 4.12Å; F112-F126 HydrophobicContact CD1-CG 4.42Å; F112-F126 HydrophobicContact CD2-CB 4.26Å; F112-F126 AromaticContact CD2-CD1 3.93Å; F112-F126 HydrophobicContact CD2-CD1 3.93Å; F112-F126 AromaticContact CD2-CD2 3.51Å; F112-F126 HydrophobicContact CD2-CD2 3.51Å; F112-F126 HydrophobicContact CD2-CE1 4.1Å; F112-F126 AromaticContact CD2-CE2 3.7Å; F112-F126 HydrophobicContact CD2-CE2 3.7Å; F112-F126 AromaticContact CD2-CG 3.63Å; F112-F126 HydrophobicContact CD2-CG 3.63Å; F112-F126 AromaticContact CD2-CZ 4Å; F112-F126 HydrophobicContact CD2-CZ 4Å; F112-F126 HydrophobicContact CE1-CD1 4.3Å; F112-F126 HydrophobicContact CE2-CB 3.85Å; F112-F126 HydrophobicContact CE2-CD1 4.27Å; F112-F126 AromaticContact CE2-CD2 3.9Å; F112-F126 HydrophobicContact CE2-CD2 3.9Å; F112-F126 AromaticContact CE2-CG 3.74Å; F112-F126 HydrophobicContact CE2-CG 3.74Å; F112-F126 AromaticContact CG-CD1 3.78Å; F112-F126 HydrophobicContact CG-CD1 3.78Å; F112-F126 HydrophobicContact CG-CD2 4.11Å; F112-F126 AromaticContact CG-CE1 3.68Å; F112-F126 HydrophobicContact CG-CE1 3.68Å; F112-F126 HydrophobicContact CG-CE2 4.01Å; F112-F126 AromaticContact CG-CG 3.99Å; F112-F126 HydrophobicContact CG-CG 3.99Å; F112-F126 AromaticContact CG-CZ 3.81Å; F112-F126 HydrophobicContact CG-CZ 3.81Å; F112-F126 HydrophobicContact CZ-CB 4.05Å; F112-F126 HydrophobicContact CZ-CD1 4.44Å; F112-F126 HydrophobicContact CZ-CG 4.19Å; G122-F126 PolarHBondContact O-N 3.24Å; G122-F126 VanDerWaalsContact O-N 3.12Å; F123-F126 PolarHBondContact O-N 3.46Å; F126-N129 PolarHBondContact O-N 3.36Å; F126-A130 WeakPolarHBondContact O-CB 3.32Å; F126-A130 PolarHBondContact O-N 3.5Å; F126-L152 HydrophobicContact CD1-CD1 3.77Å; F126-L152 HydrophobicContact CE1-CD1 3.99Å; F126-L152 HydrophobicContact CE1-CD2 4.4Å
127	I	95.4	Very high	90.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-45.9	175	-71.8	167.9	0	0	0	110.9	F123 S125 N129 A130 L131 V149 L152 F153 V177 I181	F123-I127 HydrophobicContact CD2-CD1 3.73Å; F123-I127 HydrophobicContact CE2-CD1 4.38Å; F123-I127 WeakPolarHBondContact O-CB 3.47Å; F123-I127 WeakPolarHBondContact O-CG1 3.39Å; F123-I127 PolarHBondContact O-N 2.82Å; S125-I127 PolarHBondContact O-N 2.87Å; I127-N129 VanDerWaalsContact C-N 3.28Å; I127-N129 PolarHBondContact O-N 3.4Å; I127-A130 WeakPolarHBondContact O-CB 3.15Å; I127-A130 PolarHBondContact O-N 2.82Å; I127-L131 HydrophobicContact CG2-CD1 4.17Å; I127-L131 HydrophobicContact CG2-CG 4.3Å; I127-L131 WeakPolarHBondContact O-CG 3.06Å; I127-L131 PolarHBondContact O-N 3.43Å; I127-V149 HydrophobicContact CB-CG1 4.47Å; I127-V149 HydrophobicContact CG1-CG1 4.23Å; I127-V149 HydrophobicContact CG2-CG1 3.77Å; I127-L152 HydrophobicContact CD1-CB 3.95Å; I127-L152 HydrophobicContact CD1-CD1 4.43Å; I127-L152 HydrophobicContact CG1-CB 3.95Å; I127-L152 HydrophobicContact CG1-CD1 3.54Å; I127-L152 HydrophobicContact CG1-CG 4.41Å; I127-F153 HydrophobicContact CD1-CD2 3.8Å; I127-F153 HydrophobicContact CD1-CE1 4.43Å; I127-F153 HydrophobicContact CD1-CE2 3.5Å; I127-F153 HydrophobicContact CD1-CG 4.4Å; I127-F153 HydrophobicContact CD1-CZ 3.84Å; I127-V177 HydrophobicContact CB-CG1 4.1Å; I127-V177 HydrophobicContact CG2-CG1 3.42Å; I127-V177 VanDerWaalsContact CG2-CG1 3.42Å; I127-I181 HydrophobicContact CG2-CD1 4.02Å; I127-I181 HydrophobicContact CG2-CG1 4.34Å
128	Q	95.1	Very high	90.6	Very high	66 Å²	66	48.2 Å²	48.2	31%	0.308	26%	0.257	S	S	.	.	H	α-helix	trans	-59.4	-42.6	178.9	-73.6	174.4	-30.4	0	0	111.4	P65 T124 S125 L131 I132 V177	P65-Q128 HydrophobicContact CG-CB 4.01Å; T124-Q128 WeakPolarHBondContact O-CG 3.23Å; T124-Q128 PolarHBondContact O-N 3.4Å; T124-Q128 VanDerWaalsContact O-N 3.12Å; S125-Q128 PolarHBondContact O-N 3.2Å; Q128-L131 PolarHBondContact O-N 2.89Å; Q128-I132 WeakPolarHBondContact O-CG1 3.3Å; Q128-I132 PolarHBondContact O-N 3.2Å; Q128-I132 VanDerWaalsContact O-N 3.17Å; Q128-V177 HydrophobicContact CG-CG2 4.06Å
129	N	94.4	Very high	91.2	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.027	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-41.8	175.2	-74.4	-8.8	0	0	0	112.1	P65 D67 W70 S125 F126 I127 L131 I132 K133	P65-N129 WeakPolarHBondContact CB-OD1 3.42Å; P65-N129 WeakPolarHBondContact CD-OD1 3.29Å; P65-N129 VanDerWaalsContact CG-OD1 3.29Å; P65-N129 WeakPolarHBondContact CG-OD1 3.39Å; P65-N129 PolarHBondContact O-ND2 2.99Å; P65-N129 VanDerWaalsContact O-ND2 3.14Å; D67-N129 PolarHBondContact OD1-ND2 3.17Å; D67-N129 PolarHBondContact OD1-OD1 3.42Å; W70-N129 HydrophobicContact CB-CB 4.35Å; S125-N129 PolarHBondContact O-N 3.39Å; F126-N129 PolarHBondContact O-N 3.36Å; I127-N129 VanDerWaalsContact C-N 3.28Å; I127-N129 PolarHBondContact O-N 3.4Å; N129-L131 VanDerWaalsContact C-N 3.32Å; N129-L131 PolarHBondContact O-N 3.47Å; N129-I132 PolarHBondContact O-N 2.83Å; N129-K133 WeakPolarHBondContact O-CB 3.33Å; N129-K133 VanDerWaalsContact O-CG 3.29Å; N129-K133 WeakPolarHBondContact O-CG 3.35Å; N129-K133 PolarHBondContact O-N 3.14Å
130	A	95.1	Very high	91.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.7	-46.8	174.8	0	0	0	0	0	111.3	W70 F105 L109 F126 I127 I132 K133 M134	W70-A130 HydrophobicContact CE3-CB 4.22Å; W70-A130 HydrophobicContact CH2-CB 4.09Å; W70-A130 VanDerWaalsContact CZ3-CA 3.44Å; W70-A130 HydrophobicContact CZ3-CB 3.47Å; W70-A130 VanDerWaalsContact CZ3-CB 3.47Å; F105-A130 HydrophobicContact CZ-CB 4.42Å; L109-A130 HydrophobicContact CD2-CB 4.22Å; F126-A130 WeakPolarHBondContact O-CB 3.32Å; F126-A130 PolarHBondContact O-N 3.5Å; I127-A130 WeakPolarHBondContact O-CB 3.15Å; I127-A130 PolarHBondContact O-N 2.82Å; A130-I132 PolarHBondContact O-N 2.86Å; A130-K133 CarbonylContact O-C 3.54Å; A130-K133 PolarHBondContact O-N 3.09Å; A130-K133 VanDerWaalsContact O-N 3.1Å; A130-M134 VanDerWaalsContact O-CG 3.28Å; A130-M134 WeakPolarHBondContact O-CG 3.38Å; A130-M134 PolarHBondContact O-N 3.27Å
131	L	95.7	Very high	92	Very high	10 Å²	10	41.9 Å²	41.9	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-41.8	178.6	-73.8	179.8	0	0	0	113	I127 Q128 N129 K133 M134 Y146 I181 Q184	I127-L131 HydrophobicContact CG2-CD1 4.17Å; I127-L131 HydrophobicContact CG2-CG 4.3Å; I127-L131 WeakPolarHBondContact O-CG 3.06Å; I127-L131 PolarHBondContact O-N 3.43Å; Q128-L131 PolarHBondContact O-N 2.89Å; N129-L131 VanDerWaalsContact C-N 3.32Å; N129-L131 PolarHBondContact O-N 3.47Å; L131-K133 VanDerWaalsContact C-N 3.28Å; L131-K133 PolarHBondContact O-N 3.24Å; L131-M134 HydrophobicContact CD2-SD 3.82Å; L131-Y146 HydrophobicContact CD2-CE1 4.24Å; L131-I181 HydrophobicContact CD1-CG1 3.83Å; L131-I181 HydrophobicContact CD2-CG1 4.11Å; L131-I181 HydrophobicContact CG-CG1 4.42Å; L131-Q184 PolarHBondContact O-NE2 2.79Å; L131-Q184 VanDerWaalsContact O-NE2 3.11Å
132	I	94.9	Very high	92.4	Very high	115 Å²	115	34.9 Å²	34.9	59%	0.59	19%	0.187	S	C	*	.	H	α-helix	trans	-64.8	-35.3	175.4	-67.5	165.3	0	0	0	111	Q128 N129 A130 P135	Q128-I132 WeakPolarHBondContact O-CG1 3.3Å; Q128-I132 PolarHBondContact O-N 3.2Å; Q128-I132 VanDerWaalsContact O-N 3.17Å; N129-I132 PolarHBondContact O-N 2.83Å; A130-I132 PolarHBondContact O-N 2.86Å; I132-P135 VanDerWaalsContact O-CD 3.25Å; I132-P135 WeakPolarHBondContact O-CD 3.07Å
133	K	93.8	Very high	92.7	Very high	72 Å²	72	35 Å²	35	31%	0.313	18%	0.18	S	C	.	.	H	α-helix	trans	-85	-17.1	-177.3	-69.1	-73.7	175.7	176.6	0	114.1	W70 N129 A130 L131 P135 E136 Y137	W70-K133 HydrophobicContact CH2-CB 4.25Å; W70-K133 HydrophobicContact CZ2-CB 3.69Å; W70-K133 HydrophobicContact CZ2-CG 3.98Å; N129-K133 WeakPolarHBondContact O-CB 3.33Å; N129-K133 VanDerWaalsContact O-CG 3.29Å; N129-K133 WeakPolarHBondContact O-CG 3.35Å; N129-K133 PolarHBondContact O-N 3.14Å; A130-K133 CarbonylContact O-C 3.54Å; A130-K133 PolarHBondContact O-N 3.09Å; A130-K133 VanDerWaalsContact O-N 3.1Å; L131-K133 VanDerWaalsContact C-N 3.28Å; L131-K133 PolarHBondContact O-N 3.24Å; K133-P135 VanDerWaalsContact C-N 3.33Å; K133-E136 WeakPolarHBondContact CD-OE2 3.48Å; K133-E136 WeakPolarHBondContact CE-OE2 3.4Å; K133-E136 IonicContact NZ-OE1 3.91Å; K133-E136 IonicContact NZ-OE2 2.76Å; K133-E136 PolarHBondContact NZ-OE2 3.36Å; K133-E136 VanDerWaalsContact O-CB 3.29Å; K133-E136 WeakPolarHBondContact O-CB 3.13Å; K133-E136 PolarHBondContact O-N 2.87Å; K133-Y137 HydrophobicContact CB-CD2 4.4Å; K133-Y137 HydrophobicContact CB-CE2 4.27Å; K133-Y137 WeakPolarHBondContact O-CD2 2.91Å; K133-Y137 PolarHBondContact O-N 3.09Å
134	M	94.4	Very high	92.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-40.7	178.5	-71	-174.9	78.5	0	0	114.9	F105 A130 L131 E136 Y137 E138 V139 T140 C145 Y146	F105-M134 HydrophobicContact CE2-CG 4.04Å; F105-M134 HydrophobicContact CZ-CG 3.73Å; A130-M134 VanDerWaalsContact O-CG 3.28Å; A130-M134 WeakPolarHBondContact O-CG 3.38Å; A130-M134 PolarHBondContact O-N 3.27Å; L131-M134 HydrophobicContact CD2-SD 3.82Å; M134-E136 VanDerWaalsContact C-N 3.32Å; M134-E136 PolarHBondContact O-N 3.45Å; M134-Y137 PolarHBondContact O-N 2.86Å; M134-E138 PolarHBondContact O-N 2.74Å; M134-V139 HydrophobicContact CB-CG2 3.92Å; M134-V139 HydrophobicContact CE-CG2 4.02Å; M134-V139 WeakPolarHBondContact CE-O 3.35Å; M134-V139 HydrophobicContact CG-CG2 4.02Å; M134-V139 WeakPolarHBondContact O-CG2 3.42Å; M134-V139 PolarHBondContact O-N 3.31Å; M134-T140 HydrophobicContact CB-CG2 3.8Å; M134-C145 HydrophobicContact CE-CB 4.24Å; M134-Y146 HydrophobicContact CE-CD1 3.88Å; M134-Y146 HydrophobicContact CE-CD2 4.08Å; M134-Y146 HydrophobicContact CE-CE1 3.61Å; M134-Y146 HydrophobicContact CE-CE2 3.79Å; M134-Y146 HydrophobicContact CE-CG 4.11Å; M134-Y146 HydrophobicContact SD-CD1 3.99Å; M134-Y146 HydrophobicContact SD-CE1 3.53Å; M134-Y146 VanDerWaalsContact SD-CE1 3.53Å
135	P	91.7	Very high	93	Very high	58 Å²	58	36.6 Å²	36.6	38%	0.377	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-34.2	176.5	-20.8	32.8	0	0	0	113.5	I132 K133 Y137 E138 T140	I132-P135 VanDerWaalsContact O-CD 3.25Å; I132-P135 WeakPolarHBondContact O-CD 3.07Å; K133-P135 VanDerWaalsContact C-N 3.33Å; P135-Y137 VanDerWaalsContact C-N 3.33Å; P135-E138 PolarHBondContact O-N 2.92Å; P135-T140 HydrophobicContact CB-CG2 4.06Å; P135-T140 HydrophobicContact CG-CG2 3.72Å
136	E	89.5	Confident	93.3	Very high	114 Å²	114	34.6 Å²	34.6	53%	0.533	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-37.6	179.8	-169.6	177.2	160.6	0	0	111.5	K133 M134 E138	K133-E136 WeakPolarHBondContact CD-OE2 3.48Å; K133-E136 WeakPolarHBondContact CE-OE2 3.4Å; K133-E136 IonicContact NZ-OE1 3.91Å; K133-E136 IonicContact NZ-OE2 2.76Å; K133-E136 PolarHBondContact NZ-OE2 3.36Å; K133-E136 VanDerWaalsContact O-CB 3.29Å; K133-E136 WeakPolarHBondContact O-CB 3.13Å; K133-E136 PolarHBondContact O-N 2.87Å; M134-E136 VanDerWaalsContact C-N 3.32Å; M134-E136 PolarHBondContact O-N 3.45Å; E136-E138 VanDerWaalsContact C-N 3.35Å
137	Y	90.4	Very high	93.4	Very high	30 Å²	30	35.1 Å²	35.1	12%	0.118	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.3	175.4	-67.9	-87.2	0	0	0	113.8	W70 K101 T104 F105 I108 K133 M134 P135 V139	W70-Y137 AromaticContact CZ2-CE2 3.82Å; W70-Y137 HydrophobicContact CZ2-CE2 3.82Å; K101-Y137 HydrophobicContact CB-CD1 4.45Å; K101-Y137 VanDerWaalsContact CB-O 3.28Å; K101-Y137 WeakPolarHBondContact CB-O 3.43Å; T104-Y137 HydrophobicContact CG2-CE1 3.98Å; F105-Y137 HydrophobicContact CB-CD1 4.05Å; F105-Y137 HydrophobicContact CB-CG 4.03Å; F105-Y137 AromaticContact CD2-CD2 3.81Å; F105-Y137 HydrophobicContact CD2-CD2 3.81Å; F105-Y137 HydrophobicContact CD2-CE2 4.37Å; F105-Y137 AromaticContact CD2-CG 3.98Å; F105-Y137 HydrophobicContact CD2-CG 3.98Å; F105-Y137 HydrophobicContact CG-CG 4.43Å; I108-Y137 HydrophobicContact CD1-CE1 4.04Å; I108-Y137 VanDerWaalsContact CD1-OH 3.26Å; I108-Y137 WeakPolarHBondContact CD1-OH 3.29Å; K133-Y137 HydrophobicContact CB-CD2 4.4Å; K133-Y137 HydrophobicContact CB-CE2 4.27Å; K133-Y137 WeakPolarHBondContact O-CD2 2.91Å; K133-Y137 PolarHBondContact O-N 3.09Å; M134-Y137 PolarHBondContact O-N 2.86Å; P135-Y137 VanDerWaalsContact C-N 3.33Å; Y137-V139 VanDerWaalsContact C-N 3.25Å; Y137-V139 PolarHBondContact O-N 2.95Å
138	E	88	Confident	93.5	Very high	56 Å²	56	35.8 Å²	35.8	26%	0.262	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	33	-178.6	-61.2	169.6	-151.7	0	0	114.5	R98 K101 M134 P135 E136	R98-E138 HydrophobicContact CG-CB 4.27Å; R98-E138 PolarHBondContact NE-O 2.77Å; R98-E138 PolarHBondContact NH2-O 3.5Å; K101-E138 HydrophobicContact CD-CG 4.44Å; K101-E138 IonicContact NZ-OE1 2.94Å; K101-E138 PolarHBondContact NZ-OE1 2.8Å; M134-E138 PolarHBondContact O-N 2.74Å; P135-E138 PolarHBondContact O-N 2.92Å; E136-E138 VanDerWaalsContact C-N 3.35Å
139	V	91.8	Very high	93.6	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	17%	0.167	C	C	.	.			trans	-107.6	10.9	-178.2	-64.4	0	0	0	0	113.8	K102 F105 M134 Y137 D141 D142 C145	K102-V139 HydrophobicContact CB-CG1 3.98Å; K102-V139 HydrophobicContact CG-CG1 4.29Å; F105-V139 HydrophobicContact CB-CG1 4.37Å; F105-V139 HydrophobicContact CD1-CG2 3.92Å; F105-V139 HydrophobicContact CD2-CG2 4.17Å; F105-V139 HydrophobicContact CE1-CG2 4.05Å; F105-V139 HydrophobicContact CE2-CG2 4.3Å; F105-V139 HydrophobicContact CG-CG2 3.97Å; F105-V139 HydrophobicContact CZ-CG2 4.25Å; M134-V139 HydrophobicContact CB-CG2 3.92Å; M134-V139 HydrophobicContact CE-CG2 4.02Å; M134-V139 WeakPolarHBondContact CE-O 3.35Å; M134-V139 HydrophobicContact CG-CG2 4.02Å; M134-V139 WeakPolarHBondContact O-CG2 3.42Å; M134-V139 PolarHBondContact O-N 3.31Å; Y137-V139 VanDerWaalsContact C-N 3.25Å; Y137-V139 PolarHBondContact O-N 2.95Å; V139-D141 VanDerWaalsContact C-N 3.26Å; V139-D141 PolarHBondContact O-N 3.37Å; V139-D142 PolarHBondContact O-N 3.09Å; V139-C145 HydrophobicContact CB-CB 4.09Å; V139-C145 HydrophobicContact CG2-CB 4.49Å
140	T	91.6	Very high	93.7	Very high	22 Å²	22	32.4 Å²	32.4	14%	0.135	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-21.7	-173.7	47.2	0	0	0	0	114.9	M134 P135 Y146 Y188	M134-T140 HydrophobicContact CB-CG2 3.8Å; P135-T140 HydrophobicContact CB-CG2 4.06Å; P135-T140 HydrophobicContact CG-CG2 3.72Å; T140-Y146 WeakPolarHBondContact O-CE2 3.38Å; T140-Y146 PolarHBondContact O-OH 3.24Å; T140-Y188 HydrophobicContact CG2-CD1 4.33Å; T140-Y188 HydrophobicContact CG2-CD2 4.12Å; T140-Y188 HydrophobicContact CG2-CE1 4.05Å; T140-Y188 HydrophobicContact CG2-CE2 3.83Å; T140-Y188 HydrophobicContact CG2-CG 4.37Å; T140-Y188 VanDerWaalsContact O-CB 3.29Å; T140-Y188 WeakPolarHBondContact O-CB 3.47Å
141	D	88.1	Confident	93.7	Very high	49 Å²	49	38.7 Å²	38.7	26%	0.262	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-2.5	179.9	65.4	-29.3	0	0	0	112.9	R98 V139 V190	R98-D141 IonicContact CZ-OD1 3.32Å; R98-D141 IonicContact CZ-OD2 3.15Å; R98-D141 IonicContact NH1-OD2 3.8Å; R98-D141 IonicContact NH2-OD1 3.83Å; R98-D141 PolarHBondContact NH2-OD1 3.02Å; R98-D141 IonicContact NH2-OD2 3.11Å; R98-D141 PolarHBondContact NH2-OD2 2.66Å; V139-D141 VanDerWaalsContact C-N 3.26Å; V139-D141 PolarHBondContact O-N 3.37Å; D141-V190 VanDerWaalsContact C-CG2 3.45Å; D141-V190 VanDerWaalsContact CA-CG2 3.42Å; D141-V190 HydrophobicContact CB-CG2 4.48Å; D141-V190 WeakPolarHBondContact O-CG2 3.33Å
142	D	92	Very high	93.6	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.043	19%	0.187	C	C	.	.			trans	-95.8	113.2	-175.1	-159.1	-31.7	0	0	0	112.3	K102 V139 D144 C145 Y146 R235	K102-D142 WeakPolarHBondContact CD-OD2 2.84Å; K102-D142 WeakPolarHBondContact CE-OD2 3.5Å; K102-D142 IonicContact NZ-OD1 3.89Å; K102-D142 IonicContact NZ-OD2 3.99Å; K102-D142 PolarHBondContact NZ-OD2 2.98Å; V139-D142 PolarHBondContact O-N 3.09Å; D142-D144 VanDerWaalsContact C-N 3.28Å; D142-D144 PolarHBondContact O-N 3.23Å; D142-D144 WeakPolarHBondContact OD1-CB 3.26Å; D142-D144 PolarHBondContact OD1-N 3.32Å; D142-C145 HydrophobicContact CB-CB 4.17Å; D142-C145 PolarHBondContact O-N 3.07Å; D142-Y146 WeakPolarHBondContact O-CD2 3.47Å; D142-Y146 PolarHBondContact O-N 2.76Å; D142-R235 IonicContact OD1-NH2 3.77Å; D142-R235 IonicContact OD2-NH2 3.02Å
143	L	94.2	Very high	93.5	Very high	36 Å²	36	32.8 Å²	32.8	19%	0.188	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-36.5	177.4	-178.8	61.4	0	0	0	112.4	C145 Y146 K147 M185 V190 D193 V196	L143-C145 VanDerWaalsContact C-N 3.29Å; L143-C145 PolarHBondContact O-N 3.17Å; L143-Y146 PolarHBondContact O-N 3.4Å; L143-K147 WeakPolarHBondContact O-CG 3.34Å; L143-K147 PolarHBondContact O-N 3.13Å; L143-M185 HydrophobicContact CD1-CE 4.22Å; L143-V190 HydrophobicContact CB-CG1 3.97Å; L143-V190 HydrophobicContact CD1-CG1 3.99Å; L143-D193 HydrophobicContact CD2-CB 4.09Å; L143-V196 HydrophobicContact CD1-CG2 3.99Å
144	D	94.9	Very high	93.4	Very high	82 Å²	82	29.7 Å²	29.7	44%	0.439	15%	0.147	S	C	.	.	H	α-helix	trans	-66.1	-35.8	-178.7	-65.1	-33.9	0	0	0	111.5	K102 D142 K147 A148	K102-D144 IonicContact NZ-OD2 2.62Å; D142-D144 VanDerWaalsContact C-N 3.28Å; D142-D144 PolarHBondContact O-N 3.23Å; D142-D144 WeakPolarHBondContact OD1-CB 3.26Å; D142-D144 PolarHBondContact OD1-N 3.32Å; D144-K147 PolarHBondContact O-N 3.2Å; D144-A148 WeakPolarHBondContact O-CB 3.42Å; D144-A148 PolarHBondContact O-N 2.86Å
145	C	96.1	Very high	93.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-40.8	175.4	-69.5	0	0	0	0	111	F105 M134 V139 D142 L143 A148 V149	F105-C145 HydrophobicContact CD1-CB 4.28Å; F105-C145 HydrophobicContact CE1-CB 4.07Å; M134-C145 HydrophobicContact CE-CB 4.24Å; V139-C145 HydrophobicContact CB-CB 4.09Å; V139-C145 HydrophobicContact CG2-CB 4.49Å; D142-C145 HydrophobicContact CB-CB 4.17Å; D142-C145 PolarHBondContact O-N 3.07Å; L143-C145 VanDerWaalsContact C-N 3.29Å; L143-C145 PolarHBondContact O-N 3.17Å; C145-A148 WeakPolarHBondContact O-CB 3.47Å; C145-A148 PolarHBondContact O-N 2.98Å; C145-V149 WeakPolarHBondContact O-CG2 3.33Å; C145-V149 PolarHBondContact O-N 3.49Å
146	Y	97.8	Very high	92.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.7	-39.7	172.6	-72.4	-74.3	0	0	0	113	L131 M134 T140 D142 L143 A148 V149 I150 I181 Q184 M185 V190	L131-Y146 HydrophobicContact CD2-CE1 4.24Å; M134-Y146 HydrophobicContact CE-CD1 3.88Å; M134-Y146 HydrophobicContact CE-CD2 4.08Å; M134-Y146 HydrophobicContact CE-CE1 3.61Å; M134-Y146 HydrophobicContact CE-CE2 3.79Å; M134-Y146 HydrophobicContact CE-CG 4.11Å; M134-Y146 HydrophobicContact SD-CD1 3.99Å; M134-Y146 HydrophobicContact SD-CE1 3.53Å; M134-Y146 VanDerWaalsContact SD-CE1 3.53Å; T140-Y146 WeakPolarHBondContact O-CE2 3.38Å; T140-Y146 PolarHBondContact O-OH 3.24Å; D142-Y146 WeakPolarHBondContact O-CD2 3.47Å; D142-Y146 PolarHBondContact O-N 2.76Å; L143-Y146 PolarHBondContact O-N 3.4Å; Y146-A148 VanDerWaalsContact C-N 3.29Å; Y146-A148 PolarHBondContact O-N 2.86Å; Y146-V149 WeakPolarHBondContact O-CB 3.47Å; Y146-V149 PolarHBondContact O-N 3.28Å; Y146-V149 VanDerWaalsContact O-N 3.16Å; Y146-I150 VanDerWaalsContact O-CG1 3.28Å; Y146-I150 WeakPolarHBondContact O-CG1 3.19Å; Y146-I150 PolarHBondContact O-N 2.81Å; Y146-I181 HydrophobicContact CD1-CG2 3.95Å; Y146-Q184 HydrophobicContact CE1-CB 4.45Å; Y146-Q184 HydrophobicContact CE1-CG 4.15Å; Y146-M185 HydrophobicContact CD1-CE 4.14Å; Y146-M185 HydrophobicContact CD1-CG 3.82Å; Y146-M185 HydrophobicContact CD2-CE 4.32Å; Y146-M185 HydrophobicContact CD2-CG 3.88Å; Y146-M185 HydrophobicContact CE1-CG 3.97Å; Y146-M185 HydrophobicContact CE2-CG 4.04Å; Y146-M185 HydrophobicContact CG-CE 3.67Å; Y146-M185 HydrophobicContact CG-CG 3.78Å; Y146-V190 HydrophobicContact CD2-CG1 4.21Å; Y146-V190 HydrophobicContact CE2-CB 4.25Å; Y146-V190 HydrophobicContact CE2-CG1 4.35Å; Y146-V190 HydrophobicContact CE2-CG2 3.94Å
147	K	97.6	Very high	92.3	Very high	13 Å²	13	34.7 Å²	34.7	6%	0.057	18%	0.177	C	C	.	.	H	α-helix	trans	-58.1	-44.5	172.2	-71.1	174.5	-179.7	179.6	0	110.5	L143 D144 V149 I150 R151 D193 E195 V196 M199	L143-K147 WeakPolarHBondContact O-CG 3.34Å; L143-K147 PolarHBondContact O-N 3.13Å; D144-K147 PolarHBondContact O-N 3.2Å; K147-V149 VanDerWaalsContact C-N 3.32Å; K147-V149 PolarHBondContact O-N 2.65Å; K147-I150 CarbonylContact O-C 3.59Å; K147-I150 PolarHBondContact O-N 3.48Å; K147-I150 VanDerWaalsContact O-N 3.12Å; K147-R151 WeakPolarHBondContact O-CG 3.37Å; K147-R151 PolarHBondContact O-N 2.85Å; K147-D193 VanDerWaalsContact CE-CG 3.5Å; K147-D193 VanDerWaalsContact CE-OD1 3.26Å; K147-D193 WeakPolarHBondContact CE-OD1 3.39Å; K147-D193 WeakPolarHBondContact CE-OD2 3.16Å; K147-D193 IonicContact NZ-OD1 3.23Å; K147-D193 IonicContact NZ-OD2 2.68Å; K147-D193 PolarHBondContact NZ-OD2 3.06Å; K147-E195 VanDerWaalsContact CE-OE2 3.32Å; K147-E195 WeakPolarHBondContact CE-OE2 3.44Å; K147-E195 IonicContact NZ-OE2 3.11Å; K147-E195 PolarHBondContact NZ-OE2 2.65Å; K147-V196 HydrophobicContact CG-CG2 3.88Å; K147-M199 HydrophobicContact CB-SD 4.24Å; K147-M199 HydrophobicContact CG-SD 4.23Å; K147-M199 WeakPolarHBondContact O-CE 3.2Å
148	A	96.6	Very high	92.1	Very high	13 Å²	13	33.5 Å²	33.5	11%	0.107	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-40.1	175.4	0	0	0	0	0	112.4	L106 L109 D144 C145 Y146 R151	L106-A148 HydrophobicContact CD2-CB 3.51Å; L109-A148 HydrophobicContact CD1-CB 3.68Å; D144-A148 WeakPolarHBondContact O-CB 3.42Å; D144-A148 PolarHBondContact O-N 2.86Å; C145-A148 WeakPolarHBondContact O-CB 3.47Å; C145-A148 PolarHBondContact O-N 2.98Å; Y146-A148 VanDerWaalsContact C-N 3.29Å; Y146-A148 PolarHBondContact O-N 2.86Å; A148-R151 WeakPolarHBondContact O-CB 3.2Å; A148-R151 PolarHBondContact O-N 3.46Å
149	V	96.9	Very high	92.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-42.3	172.8	173.8	0	0	0	0	111.2	F105 L109 I127 C145 Y146 K147 R151 L152 I181	F105-V149 HydrophobicContact CE1-CG2 4.14Å; F105-V149 HydrophobicContact CZ-CG2 3.99Å; L109-V149 HydrophobicContact CD1-CG2 3.81Å; L109-V149 HydrophobicContact CD2-CG2 4.49Å; I127-V149 HydrophobicContact CB-CG1 4.47Å; I127-V149 HydrophobicContact CG1-CG1 4.23Å; I127-V149 HydrophobicContact CG2-CG1 3.77Å; C145-V149 WeakPolarHBondContact O-CG2 3.33Å; C145-V149 PolarHBondContact O-N 3.49Å; Y146-V149 WeakPolarHBondContact O-CB 3.47Å; Y146-V149 PolarHBondContact O-N 3.28Å; Y146-V149 VanDerWaalsContact O-N 3.16Å; K147-V149 VanDerWaalsContact C-N 3.32Å; K147-V149 PolarHBondContact O-N 2.65Å; V149-R151 VanDerWaalsContact C-N 3.28Å; V149-R151 PolarHBondContact O-N 2.88Å; V149-L152 HydrophobicContact CG1-CD1 4.47Å; V149-L152 WeakPolarHBondContact O-CB 3.46Å; V149-L152 WeakPolarHBondContact O-CD1 3.34Å; V149-L152 VanDerWaalsContact O-CG 3.28Å; V149-L152 WeakPolarHBondContact O-CG 3.41Å; V149-L152 PolarHBondContact O-N 3.37Å; V149-L152 VanDerWaalsContact O-N 3.14Å; V149-I181 HydrophobicContact CG1-CD1 4.03Å
150	I	96.2	Very high	91.7	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-32.6	177.5	-65.3	163.4	0	0	0	111.2	Y146 K147 L152 F153 M178 I181 M185 V196 M199	Y146-I150 VanDerWaalsContact O-CG1 3.28Å; Y146-I150 WeakPolarHBondContact O-CG1 3.19Å; Y146-I150 PolarHBondContact O-N 2.81Å; K147-I150 CarbonylContact O-C 3.59Å; K147-I150 PolarHBondContact O-N 3.48Å; K147-I150 VanDerWaalsContact O-N 3.12Å; I150-L152 PolarHBondContact O-N 3.28Å; I150-F153 HydrophobicContact CG2-CD2 4.49Å; I150-F153 WeakPolarHBondContact O-CD2 3.16Å; I150-F153 PolarHBondContact O-N 3.01Å; I150-M178 HydrophobicContact CD1-SD 4.45Å; I150-M178 HydrophobicContact CG1-SD 4.09Å; I150-M178 HydrophobicContact CG2-CE 3.86Å; I150-M178 HydrophobicContact CG2-SD 4.25Å; I150-I181 HydrophobicContact CD1-CG2 4.24Å; I150-I181 HydrophobicContact CG1-CD1 4.06Å; I150-I181 HydrophobicContact CG1-CG2 4.15Å; I150-M185 HydrophobicContact CD1-CE 3.89Å; I150-V196 HydrophobicContact CD1-CG1 3.88Å; I150-V196 HydrophobicContact CD1-CG2 4.18Å; I150-M199 HydrophobicContact CB-CE 3.73Å; I150-M199 HydrophobicContact CB-SD 4.31Å; I150-M199 HydrophobicContact CG2-CB 3.81Å; I150-M199 HydrophobicContact CG2-CE 3.53Å; I150-M199 HydrophobicContact CG2-SD 4.07Å
151	R	94.5	Very high	91.2	Very high	131 Å²	131	41.8 Å²	41.8	49%	0.494	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.9	175.4	-72.1	175	-172.1	161.3	3	113.1	R120 K147 A148 V149 F153 E195 M199	R120-R151 PolarHBondContact NH1-O 2.97Å; R120-R151 PolarHBondContact NH2-O 3.15Å; K147-R151 WeakPolarHBondContact O-CG 3.37Å; K147-R151 PolarHBondContact O-N 2.85Å; A148-R151 WeakPolarHBondContact O-CB 3.2Å; A148-R151 PolarHBondContact O-N 3.46Å; V149-R151 VanDerWaalsContact C-N 3.28Å; V149-R151 PolarHBondContact O-N 2.88Å; R151-F153 VanDerWaalsContact C-N 3.28Å; R151-F153 PolarHBondContact O-N 3.42Å; R151-E195 IonicContact NH2-OE1 3.35Å; R151-E195 PolarHBondContact NH2-OE1 3.06Å; R151-M199 HydrophobicContact CB-CE 4.29Å; R151-M199 HydrophobicContact CG-CE 3.37Å
152	L	94.1	Very high	91	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.8	174.2	-59.8	172.5	0	0	0	113.1	L109 F112 I113 R120 F126 I127 V149 I150	L109-L152 HydrophobicContact CD2-CD1 4.17Å; F112-L152 HydrophobicContact CD1-CD2 3.64Å; F112-L152 HydrophobicContact CE1-CD2 4.2Å; I113-L152 HydrophobicContact CD1-CD2 4.05Å; I113-L152 HydrophobicContact CG1-CD2 3.69Å; R120-L152 WeakPolarHBondContact CD-O 3.43Å; R120-L152 PolarHBondContact NH1-O 3.27Å; F126-L152 HydrophobicContact CD1-CD1 3.77Å; F126-L152 HydrophobicContact CE1-CD1 3.99Å; F126-L152 HydrophobicContact CE1-CD2 4.4Å; I127-L152 HydrophobicContact CD1-CB 3.95Å; I127-L152 HydrophobicContact CD1-CD1 4.43Å; I127-L152 HydrophobicContact CG1-CB 3.95Å; I127-L152 HydrophobicContact CG1-CD1 3.54Å; I127-L152 HydrophobicContact CG1-CG 4.41Å; V149-L152 HydrophobicContact CG1-CD1 4.47Å; V149-L152 WeakPolarHBondContact O-CB 3.46Å; V149-L152 WeakPolarHBondContact O-CD1 3.34Å; V149-L152 VanDerWaalsContact O-CG 3.28Å; V149-L152 WeakPolarHBondContact O-CG 3.41Å; V149-L152 PolarHBondContact O-N 3.37Å; V149-L152 VanDerWaalsContact O-N 3.14Å; I150-L152 PolarHBondContact O-N 3.28Å
153	F	94.1	Very high	90.5	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	26%	0.257	C	S	.	.	S	Bend	trans	-69.7	125	177.3	-77.2	-92.4	0	0	0	111.6	R120 F123 I127 I150 R151 T155 Q174 V177 M178 I181 V203 F204	R120-F153 PolarHBondContact NH1-O 3.34Å; F123-F153 HydrophobicContact CD2-CD1 4.32Å; F123-F153 AromaticContact CE2-CD1 3.5Å; F123-F153 HydrophobicContact CE2-CD1 3.5Å; F123-F153 AromaticContact CE2-CE1 3.8Å; F123-F153 HydrophobicContact CE2-CE1 3.8Å; F123-F153 HydrophobicContact CE2-CG 4.14Å; F123-F153 HydrophobicContact CZ-CD1 4.31Å; I127-F153 HydrophobicContact CD1-CD2 3.8Å; I127-F153 HydrophobicContact CD1-CE1 4.43Å; I127-F153 HydrophobicContact CD1-CE2 3.5Å; I127-F153 HydrophobicContact CD1-CG 4.4Å; I127-F153 HydrophobicContact CD1-CZ 3.84Å; I150-F153 HydrophobicContact CG2-CD2 4.49Å; I150-F153 WeakPolarHBondContact O-CD2 3.16Å; I150-F153 PolarHBondContact O-N 3.01Å; R151-F153 VanDerWaalsContact C-N 3.28Å; R151-F153 PolarHBondContact O-N 3.42Å; F153-T155 PolarHBondContact O-N 3.17Å; F153-Q174 HydrophobicContact CE1-CB 4.28Å; F153-V177 HydrophobicContact CZ-CB 4.37Å; F153-V177 HydrophobicContact CZ-CG1 4.02Å; F153-M178 HydrophobicContact CD1-CE 4.48Å; F153-M178 HydrophobicContact CD2-CE 3.76Å; F153-M178 HydrophobicContact CE1-CE 4.43Å; F153-M178 HydrophobicContact CE2-CE 3.67Å; F153-M178 HydrophobicContact CE2-SD 4.19Å; F153-M178 HydrophobicContact CG-CE 4.17Å; F153-M178 HydrophobicContact CZ-CB 4.11Å; F153-M178 HydrophobicContact CZ-CE 4.04Å; F153-I181 HydrophobicContact CE2-CD1 3.7Å; F153-I181 HydrophobicContact CZ-CD1 4.31Å; F153-V203 HydrophobicContact CB-CB 4.29Å; F153-V203 HydrophobicContact CB-CG1 3.68Å; F153-V203 HydrophobicContact CB-CG2 3.53Å; F153-V203 HydrophobicContact CD1-CG1 3.89Å; F153-V203 HydrophobicContact CG-CG1 4.03Å; F153-V203 HydrophobicContact CG-CG2 4.36Å; F153-F204 HydrophobicContact CD1-CE2 4.35Å; F153-F204 HydrophobicContact CD1-CZ 4.04Å; F153-F204 HydrophobicContact CE1-CE2 4.23Å; F153-F204 AromaticContact CE1-CZ 3.84Å; F153-F204 HydrophobicContact CE1-CZ 3.84Å
154	P	91.5	Very high	89.8	Confident	8 Å²	8	57.2 Å²	57.2	5%	0.052	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-63.2	121.8	177.9	27	-33.5	0	0	0	110.7	F123 M158	F123-P154 HydrophobicContact CE1-CG 4.11Å; F123-P154 HydrophobicContact CZ-CG 4.21Å; P154-M158 HydrophobicContact CG-SD 4.11Å
155	T	88.9	Confident	89.1	Confident	90 Å²	90	56.7 Å²	56.7	55%	0.552	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	150.6	-179.7	51.8	0	0	0	0	111.7	F153 R157 D202 V203	F153-T155 PolarHBondContact O-N 3.17Å; T155-R157 PolarHBondContact O-N 2.94Å; T155-D202 HydrophobicContact CG2-CB 4.33Å; T155-V203 HydrophobicContact CG2-CG2 4.39Å
156	G	82.6	Confident	88.4	Confident	45 Å²	45	57 Å²	57	46%	0.464	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-35.9	175	0	0	0	0	0	116.5	M158 T159 D202	G156-M158 VanDerWaalsContact C-N 3.33Å; G156-M158 PolarHBondContact O-N 3.26Å; G156-T159 PolarHBondContact O-OG1 2.82Å; G156-D202 PolarHBondContact N-O 3.12Å
157	R	81	Confident	87.6	Confident	141 Å²	141	61.7 Å²	61.7	53%	0.532	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-30.4	-177.1	-67.7	-171.8	-176.1	-173.5	0.6	114.1	P118 S119 T155	P118-R157 PolarHBondContact O-NH2 3.25Å; S119-R157 PolarHBondContact OG-NH1 3.39Å; S119-R157 VanDerWaalsContact OG-NH1 3.11Å; T155-R157 PolarHBondContact O-N 2.94Å
158	M	86.5	Confident	86.8	Confident	6 Å²	6	69.7 Å²	69.7	3%	0.03	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	6.4	-169.6	-61.3	175	71.1	0	0	112.7	F123 P154 G156 V160 H170 F171 Q174 V203 F204	F123-M158 HydrophobicContact CZ-SD 4.09Å; P154-M158 HydrophobicContact CG-SD 4.11Å; G156-M158 VanDerWaalsContact C-N 3.33Å; G156-M158 PolarHBondContact O-N 3.26Å; M158-V160 PolarHBondContact O-N 2.86Å; M158-H170 PolarHBondContact O-ND1 2.82Å; M158-F171 HydrophobicContact CB-CD2 3.99Å; M158-F171 HydrophobicContact CB-CE2 4.31Å; M158-F171 HydrophobicContact CE-CB 3.65Å; M158-F171 HydrophobicContact CE-CD1 4.31Å; M158-F171 HydrophobicContact CE-CD2 4.2Å; M158-F171 HydrophobicContact CE-CG 3.82Å; M158-F171 HydrophobicContact CG-CD2 3.98Å; M158-F171 HydrophobicContact CG-CE2 4.1Å; M158-F171 HydrophobicContact CG-CG 4.4Å; M158-Q174 HydrophobicContact CE-CB 3.16Å; M158-Q174 HydrophobicContact CE-CG 3.43Å; M158-Q174 VanDerWaalsContact CE-CG 3.43Å; M158-V203 CarbonylContact C-O 3.58Å; M158-V203 HydrophobicContact CB-CG1 4.5Å; M158-V203 WeakPolarHBondContact CB-O 3.26Å; M158-V203 HydrophobicContact SD-CG1 4.4Å; M158-F204 HydrophobicContact CB-CD1 4.13Å; M158-F204 HydrophobicContact CB-CE1 4.35Å; M158-F204 HydrophobicContact CE-CD1 4.2Å; M158-F204 HydrophobicContact CE-CE1 3.35Å; M158-F204 HydrophobicContact CE-CZ 3.98Å; M158-F204 HydrophobicContact SD-CE1 4.43Å
159	T	87.3	Confident	86	Confident	41 Å²	41	69.4 Å²	69.4	25%	0.252	33%	0.331	S	S	.	.			trans	-66.5	129.2	-179.2	56.6	0	0	0	0	111.1	G156 K161 V203	G156-T159 PolarHBondContact O-OG1 2.82Å; T159-K161 PolarHBondContact O-N 3.31Å; T159-V203 PolarHBondContact N-O 2.68Å
160	V	83.6	Confident	85.4	Confident	28 Å²	28	71.8 Å²	71.8	17%	0.17	34%	0.342	C	S	.	.			trans	-72.9	119.9	176	177.6	0	0	0	0	109.6	M158 R162 Q165 A166 H170 F204	M158-V160 PolarHBondContact O-N 2.86Å; V160-R162 WeakPolarHBondContact CG1-O 3.19Å; V160-Q165 HydrophobicContact CG1-CB 3.9Å; V160-A166 HydrophobicContact CG1-CB 3.88Å; V160-H170 HydrophobicContact CG2-CB 3.88Å; V160-F204 WeakPolarHBondContact CG2-O 3.36Å; V160-F204 PolarHBondContact N-O 2.84Å
161	K	80.6	Confident	85	Confident	184 Å²	184	75.7 Å²	75.7	80%	0.8	36%	0.359	S	S	*	.			trans	-93.2	-32.4	179.7	-64.9	-176.5	-179.6	-179.2	0	113.1	T159	T159-K161 PolarHBondContact O-N 3.31Å
162	R	84.3	Confident	84.9	Confident	189 Å²	189	73.7 Å²	73.7	71%	0.713	36%	0.363	S	S	*	.	S	Bend	trans	-118.6	147.9	-175.5	-70	-177.1	167.1	-178.6	-3.6	111.8	V160 L164 Q165 A166	V160-R162 WeakPolarHBondContact CG1-O 3.19Å; R162-L164 PolarHBondContact O-N 2.88Å; R162-Q165 HydrophobicContact CB-CG 4.17Å; R162-Q165 WeakPolarHBondContact O-CB 3.3Å; R162-Q165 PolarHBondContact O-N 3.18Å; R162-Q165 VanDerWaalsContact O-N 3.13Å; R162-A166 PolarHBondContact O-N 3.38Å
163	F	80.7	Confident	84.7	Confident	123 Å²	123	81.5 Å²	81.5	54%	0.539	40%	0.397	S	S	.	.	H	α-helix	trans	-52.8	-49.4	175.5	156.2	-104.9	0	0	0	112.7	Q165 A166 D167	F163-Q165 VanDerWaalsContact C-N 3.25Å; F163-Q165 PolarHBondContact O-N 3.13Å; F163-A166 WeakPolarHBondContact O-CA 3.29Å; F163-A166 WeakPolarHBondContact O-CB 3.45Å; F163-A166 PolarHBondContact O-N 3.06Å; F163-D167 WeakPolarHBondContact CE2-OD2 3.28Å; F163-D167 WeakPolarHBondContact CZ-OD2 3.29Å; F163-D167 PolarHBondContact O-N 3.44Å
164	L	79.8	Confident	84.7	Confident	106 Å²	106	83.3 Å²	83.3	56%	0.555	41%	0.405	S	S	*	.	H	α-helix	trans	-61.5	-33.1	-179.7	-66.8	172	0	0	0	112.7	R162 A166 D167 F168	R162-L164 PolarHBondContact O-N 2.88Å; L164-A166 PolarHBondContact O-N 3.42Å; L164-D167 PolarHBondContact O-N 2.97Å; L164-F168 HydrophobicContact CB-CD2 4.49Å; L164-F168 HydrophobicContact CD2-CE2 4.4Å; L164-F168 WeakPolarHBondContact O-CD2 3.41Å; L164-F168 PolarHBondContact O-N 3.11Å; L164-F168 VanDerWaalsContact O-N 3.14Å
165	Q	81.3	Confident	84.8	Confident	71 Å²	71	83.1 Å²	83.1	33%	0.332	40%	0.404	S	S	.	.	H	α-helix	trans	-66.7	-29.3	175.9	-70	174.2	-25.8	0	0	112	V160 R162 F163 G169 H170	V160-Q165 HydrophobicContact CG1-CB 3.9Å; R162-Q165 HydrophobicContact CB-CG 4.17Å; R162-Q165 WeakPolarHBondContact O-CB 3.3Å; R162-Q165 PolarHBondContact O-N 3.18Å; R162-Q165 VanDerWaalsContact O-N 3.13Å; F163-Q165 VanDerWaalsContact C-N 3.25Å; F163-Q165 PolarHBondContact O-N 3.13Å; Q165-G169 PolarHBondContact O-N 3.32Å; Q165-H170 HydrophobicContact CB-CB 4.35Å; Q165-H170 WeakPolarHBondContact O-CB 3.31Å; Q165-H170 PolarHBondContact O-N 3.44Å
166	A	79.6	Confident	85.1	Confident	7 Å²	7	83.1 Å²	83.1	6%	0.058	40%	0.397	C	S	.	.	H	α-helix	trans	-67	-48.3	175.7	0	0	0	0	0	110.9	V160 R162 F163 L164 G169 R207	V160-A166 HydrophobicContact CG1-CB 3.88Å; R162-A166 PolarHBondContact O-N 3.38Å; F163-A166 WeakPolarHBondContact O-CA 3.29Å; F163-A166 WeakPolarHBondContact O-CB 3.45Å; F163-A166 PolarHBondContact O-N 3.06Å; L164-A166 PolarHBondContact O-N 3.42Å; A166-G169 PolarHBondContact O-N 3.32Å; A166-R207 HydrophobicContact CB-CB 3.79Å; A166-R207 WeakPolarHBondContact CB-O 3.34Å
167	D	80.8	Confident	85.8	Confident	97 Å²	97	81.1 Å²	81.1	52%	0.519	38%	0.376	S	S	.	.	H	α-helix	trans	-72.5	-33.2	-173.4	-72.3	0.4	0	0	0	112.8	F163 L164 G169	F163-D167 WeakPolarHBondContact CE2-OD2 3.28Å; F163-D167 WeakPolarHBondContact CZ-OD2 3.29Å; F163-D167 PolarHBondContact O-N 3.44Å; L164-D167 PolarHBondContact O-N 2.97Å; D167-G169 VanDerWaalsContact C-N 3.28Å; D167-G169 PolarHBondContact O-N 3.19Å
168	F	82.3	Confident	86.5	Confident	181 Å²	181	74.4 Å²	74.4	79%	0.794	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	4.6	176	-72.4	-69.1	0	0	0	114	L164	L164-F168 HydrophobicContact CB-CD2 4.49Å; L164-F168 HydrophobicContact CD2-CE2 4.4Å; L164-F168 WeakPolarHBondContact O-CD2 3.41Å; L164-F168 PolarHBondContact O-N 3.11Å; L164-F168 VanDerWaalsContact O-N 3.14Å
169	G	79.1	Confident	87	Confident	8 Å²	8	75.1 Å²	75.1	8%	0.082	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	61.7	173.9	0	0	0	0	0	114.7	Q165 A166 D167 F171 P172	Q165-G169 PolarHBondContact O-N 3.32Å; A166-G169 PolarHBondContact O-N 3.32Å; D167-G169 VanDerWaalsContact C-N 3.28Å; D167-G169 PolarHBondContact O-N 3.19Å; G169-F171 PolarHBondContact O-N 3.29Å; G169-P172 WeakPolarHBondContact O-CD 3.5Å
170	H	83.7	Confident	87.5	Confident	49 Å²	49	75.3 Å²	75.3	23%	0.227	35%	0.354	C	S	.	.	S	Bend	trans	-51.5	121.1	173.9	-172.9	-113.4	0	0	0	113.2	M158 V160 Q165 Q175	M158-H170 PolarHBondContact O-ND1 2.82Å; V160-H170 HydrophobicContact CG2-CB 3.88Å; Q165-H170 HydrophobicContact CB-CB 4.35Å; Q165-H170 WeakPolarHBondContact O-CB 3.31Å; Q165-H170 PolarHBondContact O-N 3.44Å; H170-Q175 PolarHBondContact O-NE2 3.45Å
171	F	89.1	Confident	88.2	Confident	84 Å²	84	74 Å²	74	37%	0.368	35%	0.346	S	S	.	.	S	Bend	trans	56.7	62.8	-172.3	-66.1	-72.7	0	0	0	113.5	M158 G169 K173 Q174 Q175	M158-F171 HydrophobicContact CB-CD2 3.99Å; M158-F171 HydrophobicContact CB-CE2 4.31Å; M158-F171 HydrophobicContact CE-CB 3.65Å; M158-F171 HydrophobicContact CE-CD1 4.31Å; M158-F171 HydrophobicContact CE-CD2 4.2Å; M158-F171 HydrophobicContact CE-CG 3.82Å; M158-F171 HydrophobicContact CG-CD2 3.98Å; M158-F171 HydrophobicContact CG-CE2 4.1Å; M158-F171 HydrophobicContact CG-CG 4.4Å; G169-F171 PolarHBondContact O-N 3.29Å; F171-K173 PolarHBondContact O-N 3.09Å; F171-Q174 HydrophobicContact CB-CB 4.38Å; F171-Q174 PolarHBondContact O-N 3.24Å; F171-Q174 PolarHBondContact O-OE1 2.99Å; F171-Q175 WeakPolarHBondContact O-CG 3.19Å; F171-Q175 PolarHBondContact O-N 3.5Å
172	P	91	Very high	88.9	Confident	89 Å²	89	65.2 Å²	65.2	58%	0.578	31%	0.308	S	S	*	.	H	α-helix	trans	-66.7	-37	-169.6	26.8	-32.5	0	0	0	112.4	G169 Q174 Q175 Q176	G169-P172 WeakPolarHBondContact O-CD 3.5Å; P172-Q174 VanDerWaalsContact C-N 3.32Å; P172-Q174 PolarHBondContact O-N 3.38Å; P172-Q175 PolarHBondContact O-N 3.48Å; P172-Q176 WeakPolarHBondContact O-CB 3.09Å; P172-Q176 PolarHBondContact O-N 3.39Å
173	K	91.8	Very high	89.5	Confident	164 Å²	164	60.3 Å²	60.3	71%	0.713	30%	0.296	S	S	*	.	H	α-helix	trans	-61	-42.5	177.8	-69.3	-172.6	177.1	-175.4	0	111.7	F171 Q176 V177	F171-K173 PolarHBondContact O-N 3.09Å; K173-Q176 WeakPolarHBondContact O-CB 3.29Å; K173-Q176 PolarHBondContact O-N 2.91Å; K173-V177 PolarHBondContact O-N 2.87Å; K173-V177 VanDerWaalsContact O-N 3.1Å
174	Q	92.9	Very high	90.2	Very high	39 Å²	39	56 Å²	56	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-77.3	-35.5	-178.1	-63.4	85.4	-7.8	0	0	112.1	F123 F153 M158 F171 P172 Q176 V177 M178 F204	F123-Q174 HydrophobicContact CE2-CG 4.4Å; F123-Q174 HydrophobicContact CZ-CG 3.86Å; F153-Q174 HydrophobicContact CE1-CB 4.28Å; M158-Q174 HydrophobicContact CE-CB 3.16Å; M158-Q174 HydrophobicContact CE-CG 3.43Å; M158-Q174 VanDerWaalsContact CE-CG 3.43Å; F171-Q174 HydrophobicContact CB-CB 4.38Å; F171-Q174 PolarHBondContact O-N 3.24Å; F171-Q174 PolarHBondContact O-OE1 2.99Å; P172-Q174 VanDerWaalsContact C-N 3.32Å; P172-Q174 PolarHBondContact O-N 3.38Å; Q174-Q176 VanDerWaalsContact C-N 3.26Å; Q174-Q176 PolarHBondContact O-N 3.13Å; Q174-V177 PolarHBondContact O-N 2.76Å; Q174-M178 PolarHBondContact O-N 3.11Å; Q174-M178 VanDerWaalsContact O-N 3.09Å; Q174-F204 HydrophobicContact CB-CE1 4.11Å; Q174-F204 HydrophobicContact CB-CZ 4.08Å
175	Q	94.4	Very high	90.9	Very high	3 Å²	3	51 Å²	51	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-39.4	169.3	-70.3	-168	36.1	0	0	111	H170 F171 P172 M178 I179 F204 H209	H170-Q175 PolarHBondContact O-NE2 3.45Å; F171-Q175 WeakPolarHBondContact O-CG 3.19Å; F171-Q175 PolarHBondContact O-N 3.5Å; P172-Q175 PolarHBondContact O-N 3.48Å; Q175-M178 PolarHBondContact O-N 3.1Å; Q175-I179 WeakPolarHBondContact O-CG1 3.19Å; Q175-I179 PolarHBondContact O-N 2.99Å; Q175-F204 HydrophobicContact CG-CD1 3.81Å; Q175-F204 HydrophobicContact CG-CE1 3.65Å; Q175-F204 HydrophobicContact CG-CG 4.37Å; Q175-F204 HydrophobicContact CG-CZ 4.12Å; Q175-H209 PolarHBondContact OE1-CD2 3.25Å
176	Q	95.2	Very high	91.4	Very high	91 Å²	91	49.7 Å²	49.7	43%	0.425	25%	0.25	S	C	.	.	H	α-helix	trans	-61.7	-44	175.5	-173.4	58.4	47.6	0	0	111.7	P172 K173 Q174 M178 I179 D180	P172-Q176 WeakPolarHBondContact O-CB 3.09Å; P172-Q176 PolarHBondContact O-N 3.39Å; K173-Q176 WeakPolarHBondContact O-CB 3.29Å; K173-Q176 PolarHBondContact O-N 2.91Å; Q174-Q176 VanDerWaalsContact C-N 3.26Å; Q174-Q176 PolarHBondContact O-N 3.13Å; Q176-M178 VanDerWaalsContact C-N 3.31Å; Q176-M178 PolarHBondContact O-N 3.06Å; Q176-I179 CarbonylContact O-C 3.56Å; Q176-I179 WeakPolarHBondContact O-CA 3.26Å; Q176-I179 WeakPolarHBondContact O-CB 3.24Å; Q176-I179 PolarHBondContact O-N 3.04Å; Q176-I179 VanDerWaalsContact O-N 3.08Å; Q176-D180 PolarHBondContact NE2-OD1 3.09Å; Q176-D180 PolarHBondContact O-N 3.03Å
177	V	96.1	Very high	92	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-39.5	175.5	173.1	0	0	0	0	111.9	T124 I127 Q128 F153 K173 Q174 I179 D180 I181	T124-V177 HydrophobicContact CG2-CB 4.47Å; T124-V177 HydrophobicContact CG2-CG2 3.58Å; I127-V177 HydrophobicContact CB-CG1 4.1Å; I127-V177 HydrophobicContact CG2-CG1 3.42Å; I127-V177 VanDerWaalsContact CG2-CG1 3.42Å; Q128-V177 HydrophobicContact CG-CG2 4.06Å; F153-V177 HydrophobicContact CZ-CB 4.37Å; F153-V177 HydrophobicContact CZ-CG1 4.02Å; K173-V177 PolarHBondContact O-N 2.87Å; K173-V177 VanDerWaalsContact O-N 3.1Å; Q174-V177 PolarHBondContact O-N 2.76Å; V177-I179 VanDerWaalsContact C-N 3.35Å; V177-D180 WeakPolarHBondContact O-CB 3.49Å; V177-D180 PolarHBondContact O-N 3.08Å; V177-I181 WeakPolarHBondContact O-CG1 3.42Å; V177-I181 PolarHBondContact O-N 3.25Å
178	M	96.9	Very high	92.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-39.2	173.3	-174.6	70.9	78.1	0	0	112.3	I150 F153 Q174 Q175 Q176 D180 I181 L182 I200 F204 A210	I150-M178 HydrophobicContact CD1-SD 4.45Å; I150-M178 HydrophobicContact CG1-SD 4.09Å; I150-M178 HydrophobicContact CG2-CE 3.86Å; I150-M178 HydrophobicContact CG2-SD 4.25Å; F153-M178 HydrophobicContact CD1-CE 4.48Å; F153-M178 HydrophobicContact CD2-CE 3.76Å; F153-M178 HydrophobicContact CE1-CE 4.43Å; F153-M178 HydrophobicContact CE2-CE 3.67Å; F153-M178 HydrophobicContact CE2-SD 4.19Å; F153-M178 HydrophobicContact CG-CE 4.17Å; F153-M178 HydrophobicContact CZ-CB 4.11Å; F153-M178 HydrophobicContact CZ-CE 4.04Å; Q174-M178 PolarHBondContact O-N 3.11Å; Q174-M178 VanDerWaalsContact O-N 3.09Å; Q175-M178 PolarHBondContact O-N 3.1Å; Q176-M178 VanDerWaalsContact C-N 3.31Å; Q176-M178 PolarHBondContact O-N 3.06Å; M178-D180 VanDerWaalsContact C-N 3.31Å; M178-I181 WeakPolarHBondContact O-CB 3.28Å; M178-I181 PolarHBondContact O-N 2.86Å; M178-I181 HydrophobicContact SD-CD1 4.3Å; M178-L182 WeakPolarHBondContact O-CG 3.32Å; M178-L182 PolarHBondContact O-N 3.32Å; M178-I200 HydrophobicContact CE-CG1 4.15Å; M178-I200 HydrophobicContact CG-CG1 4.18Å; M178-I200 HydrophobicContact SD-CG1 3.94Å; M178-F204 HydrophobicContact CB-CE2 3.85Å; M178-F204 HydrophobicContact CB-CZ 4.44Å; M178-F204 HydrophobicContact CE-CD2 4.25Å; M178-F204 HydrophobicContact CE-CE2 3.67Å; M178-F204 HydrophobicContact CG-CE2 4.13Å; M178-A210 HydrophobicContact CB-CB 3.86Å; M178-A210 HydrophobicContact CG-CB 3.62Å
179	I	96.6	Very high	92.7	Very high	22 Å²	22	55.9 Å²	55.9	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-39.4	173.7	-70	165.6	0	0	0	110.6	Q175 Q176 V177 I181 L182 N183 H209 A210 T213	Q175-I179 WeakPolarHBondContact O-CG1 3.19Å; Q175-I179 PolarHBondContact O-N 2.99Å; Q176-I179 CarbonylContact O-C 3.56Å; Q176-I179 WeakPolarHBondContact O-CA 3.26Å; Q176-I179 WeakPolarHBondContact O-CB 3.24Å; Q176-I179 PolarHBondContact O-N 3.04Å; Q176-I179 VanDerWaalsContact O-N 3.08Å; V177-I179 VanDerWaalsContact C-N 3.35Å; I179-I181 VanDerWaalsContact C-N 3.34Å; I179-I181 PolarHBondContact O-N 2.85Å; I179-L182 PolarHBondContact O-N 3.32Å; I179-N183 WeakPolarHBondContact CG2-ND2 3.18Å; I179-N183 WeakPolarHBondContact O-CB 2.81Å; I179-N183 PolarHBondContact O-N 3.5Å; I179-N183 PolarHBondContact O-ND2 2.68Å; I179-H209 HydrophobicContact CD1-CB 4.23Å; I179-A210 HydrophobicContact CG1-CB 4.05Å; I179-T213 HydrophobicContact CG2-CG2 4.41Å
180	D	97.3	Very high	93.2	Very high	44 Å²	44	56 Å²	56	24%	0.235	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-39.5	176.6	-63	-22	0	0	0	111.2	Q176 V177 M178 N183 Q184	Q176-D180 PolarHBondContact NE2-OD1 3.09Å; Q176-D180 PolarHBondContact O-N 3.03Å; V177-D180 WeakPolarHBondContact O-CB 3.49Å; V177-D180 PolarHBondContact O-N 3.08Å; M178-D180 VanDerWaalsContact C-N 3.31Å; D180-N183 PolarHBondContact O-N 2.71Å; D180-Q184 VanDerWaalsContact O-CB 3.3Å; D180-Q184 WeakPolarHBondContact O-CB 3.47Å; D180-Q184 PolarHBondContact O-N 3.03Å
181	I	97.7	Very high	93.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-51.4	170.9	-65.2	169.3	0	0	0	110.4	I127 L131 Y146 V149 I150 F153 V177 M178 I179 N183 Q184 M185	I127-I181 HydrophobicContact CG2-CD1 4.02Å; I127-I181 HydrophobicContact CG2-CG1 4.34Å; L131-I181 HydrophobicContact CD1-CG1 3.83Å; L131-I181 HydrophobicContact CD2-CG1 4.11Å; L131-I181 HydrophobicContact CG-CG1 4.42Å; Y146-I181 HydrophobicContact CD1-CG2 3.95Å; V149-I181 HydrophobicContact CG1-CD1 4.03Å; I150-I181 HydrophobicContact CD1-CG2 4.24Å; I150-I181 HydrophobicContact CG1-CD1 4.06Å; I150-I181 HydrophobicContact CG1-CG2 4.15Å; F153-I181 HydrophobicContact CE2-CD1 3.7Å; F153-I181 HydrophobicContact CZ-CD1 4.31Å; V177-I181 WeakPolarHBondContact O-CG1 3.42Å; V177-I181 PolarHBondContact O-N 3.25Å; M178-I181 WeakPolarHBondContact O-CB 3.28Å; M178-I181 PolarHBondContact O-N 2.86Å; M178-I181 HydrophobicContact SD-CD1 4.3Å; I179-I181 VanDerWaalsContact C-N 3.34Å; I179-I181 PolarHBondContact O-N 2.85Å; I181-N183 VanDerWaalsContact C-N 3.33Å; I181-N183 PolarHBondContact O-N 2.67Å; I181-Q184 PolarHBondContact O-N 2.75Å; I181-M185 HydrophobicContact CG2-CE 3.97Å; I181-M185 WeakPolarHBondContact O-CG 2.93Å; I181-M185 PolarHBondContact O-N 3.03Å
182	L	97.3	Very high	93.8	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-38.8	-179.5	-68.3	171.5	0	0	0	112.4	M178 I179 M185 S186 P192 V196 I200 A210 T213 Y214	M178-L182 WeakPolarHBondContact O-CG 3.32Å; M178-L182 PolarHBondContact O-N 3.32Å; I179-L182 PolarHBondContact O-N 3.32Å; L182-M185 HydrophobicContact CD2-SD 4.05Å; L182-M185 PolarHBondContact O-N 2.87Å; L182-S186 PolarHBondContact O-N 3.28Å; L182-P192 HydrophobicContact CD2-CG 4.15Å; L182-V196 HydrophobicContact CD2-CG1 4.37Å; L182-I200 HydrophobicContact CD1-CD1 4.19Å; L182-I200 HydrophobicContact CD2-CD1 4.34Å; L182-A210 WeakPolarHBondContact CD1-O 3.06Å; L182-T213 HydrophobicContact CB-CG2 4.48Å; L182-T213 HydrophobicContact CD1-CG2 4.15Å; L182-Y214 HydrophobicContact CD2-CD2 4.24Å
183	N	95.6	Very high	93.9	Very high	85 Å²	85	50.6 Å²	50.6	46%	0.455	24%	0.237	S	C	.	.	H	α-helix	trans	-66.4	-39.7	175.6	-72.2	-23	0	0	0	111.1	I179 D180 I181 S186 R187	I179-N183 WeakPolarHBondContact CG2-ND2 3.18Å; I179-N183 WeakPolarHBondContact O-CB 2.81Å; I179-N183 PolarHBondContact O-N 3.5Å; I179-N183 PolarHBondContact O-ND2 2.68Å; D180-N183 PolarHBondContact O-N 2.71Å; I181-N183 VanDerWaalsContact C-N 3.33Å; I181-N183 PolarHBondContact O-N 2.67Å; N183-S186 PolarHBondContact O-N 3.25Å; N183-R187 WeakPolarHBondContact O-CB 3.29Å; N183-R187 PolarHBondContact O-N 2.63Å
184	Q	96.2	Very high	94.1	Very high	34 Å²	34	49.1 Å²	49.1	16%	0.159	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-43.4	176.2	-175.8	166.3	-37.2	0	0	111.7	L131 Y146 D180 I181 S186 R187 Y188	L131-Q184 PolarHBondContact O-NE2 2.79Å; L131-Q184 VanDerWaalsContact O-NE2 3.11Å; Y146-Q184 HydrophobicContact CE1-CB 4.45Å; Y146-Q184 HydrophobicContact CE1-CG 4.15Å; D180-Q184 VanDerWaalsContact O-CB 3.3Å; D180-Q184 WeakPolarHBondContact O-CB 3.47Å; D180-Q184 PolarHBondContact O-N 3.03Å; I181-Q184 PolarHBondContact O-N 2.75Å; Q184-S186 VanDerWaalsContact C-N 3.3Å; Q184-S186 PolarHBondContact O-N 3.31Å; Q184-R187 WeakPolarHBondContact O-CB 3.1Å; Q184-R187 PolarHBondContact O-N 3.31Å; Q184-R187 VanDerWaalsContact O-N 3.13Å; Q184-Y188 HydrophobicContact CG-CD2 3.62Å; Q184-Y188 HydrophobicContact CG-CE2 3.63Å; Q184-Y188 VanDerWaalsContact O-CD2 3.3Å; Q184-Y188 WeakPolarHBondContact O-CD2 3.42Å; Q184-Y188 PolarHBondContact O-N 2.71Å
185	M	94.8	Very high	94.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-52.9	-50.2	170.4	-72.5	176.1	172.8	0	0	110.7	L143 Y146 I150 I181 L182 R187 Y188 H189 V190 P192 V196	L143-M185 HydrophobicContact CD1-CE 4.22Å; Y146-M185 HydrophobicContact CD1-CE 4.14Å; Y146-M185 HydrophobicContact CD1-CG 3.82Å; Y146-M185 HydrophobicContact CD2-CE 4.32Å; Y146-M185 HydrophobicContact CD2-CG 3.88Å; Y146-M185 HydrophobicContact CE1-CG 3.97Å; Y146-M185 HydrophobicContact CE2-CG 4.04Å; Y146-M185 HydrophobicContact CG-CE 3.67Å; Y146-M185 HydrophobicContact CG-CG 3.78Å; I150-M185 HydrophobicContact CD1-CE 3.89Å; I181-M185 HydrophobicContact CG2-CE 3.97Å; I181-M185 WeakPolarHBondContact O-CG 2.93Å; I181-M185 PolarHBondContact O-N 3.03Å; L182-M185 HydrophobicContact CD2-SD 4.05Å; L182-M185 PolarHBondContact O-N 2.87Å; M185-R187 VanDerWaalsContact C-N 3.33Å; M185-R187 PolarHBondContact O-N 3.11Å; M185-Y188 CarbonylContact O-C 3.25Å; M185-Y188 PolarHBondContact O-N 3.29Å; M185-H189 PolarHBondContact O-N 2.79Å; M185-H189 VanDerWaalsContact O-N 3.09Å; M185-V190 CarbonylContact C-O 3.18Å; M185-V190 HydrophobicContact CB-CB 4.16Å; M185-V190 HydrophobicContact CG-CB 4.48Å; M185-V190 PolarHBondContact O-N 2.94Å; M185-P192 HydrophobicContact SD-CB 4.04Å; M185-P192 HydrophobicContact SD-CG 3.94Å; M185-V196 HydrophobicContact CE-CG1 4.36Å; M185-V196 HydrophobicContact CE-CG2 4.19Å
186	S	91.5	Very high	94.4	Very high	44 Å²	44	51 Å²	51	31%	0.308	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-39.3	177.7	-172.9	0	0	0	0	112.8	L182 N183 Q184 Y188 H189	L182-S186 PolarHBondContact O-N 3.28Å; N183-S186 PolarHBondContact O-N 3.25Å; Q184-S186 VanDerWaalsContact C-N 3.3Å; Q184-S186 PolarHBondContact O-N 3.31Å; S186-Y188 VanDerWaalsContact C-N 3.32Å; S186-Y188 PolarHBondContact O-N 3.47Å; S186-H189 PolarHBondContact O-N 2.68Å
187	R	91.3	Very high	94.5	Very high	188 Å²	188	46.8 Å²	46.8	71%	0.709	23%	0.227	S	C	*	.	H	α-helix	trans	-64.1	-37.2	178.6	-177.5	-179.7	-178.5	179.3	1	112.1	N183 Q184 M185 H189	N183-R187 WeakPolarHBondContact O-CB 3.29Å; N183-R187 PolarHBondContact O-N 2.63Å; Q184-R187 WeakPolarHBondContact O-CB 3.1Å; Q184-R187 PolarHBondContact O-N 3.31Å; Q184-R187 VanDerWaalsContact O-N 3.13Å; M185-R187 VanDerWaalsContact C-N 3.33Å; M185-R187 PolarHBondContact O-N 3.11Å; R187-H189 VanDerWaalsContact C-N 3.34Å
188	Y	89.9	Confident	94.5	Very high	73 Å²	73	51.2 Å²	51.2	29%	0.286	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	17.5	178.2	-67.1	-69.3	0	0	0	113.3	T140 Q184 M185 S186 V190	T140-Y188 HydrophobicContact CG2-CD1 4.33Å; T140-Y188 HydrophobicContact CG2-CD2 4.12Å; T140-Y188 HydrophobicContact CG2-CE1 4.05Å; T140-Y188 HydrophobicContact CG2-CE2 3.83Å; T140-Y188 HydrophobicContact CG2-CG 4.37Å; T140-Y188 VanDerWaalsContact O-CB 3.29Å; T140-Y188 WeakPolarHBondContact O-CB 3.47Å; Q184-Y188 HydrophobicContact CG-CD2 3.62Å; Q184-Y188 HydrophobicContact CG-CE2 3.63Å; Q184-Y188 VanDerWaalsContact O-CD2 3.3Å; Q184-Y188 WeakPolarHBondContact O-CD2 3.42Å; Q184-Y188 PolarHBondContact O-N 2.71Å; M185-Y188 CarbonylContact O-C 3.25Å; M185-Y188 PolarHBondContact O-N 3.29Å; S186-Y188 VanDerWaalsContact C-N 3.32Å; S186-Y188 PolarHBondContact O-N 3.47Å; Y188-V190 PolarHBondContact O-N 2.73Å
189	H	87.5	Confident	94.5	Very high	153 Å²	153	52.3 Å²	52.3	71%	0.708	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	27.5	177.3	-51	-68.5	0	0	0	114.9	M185 S186 R187	M185-H189 PolarHBondContact O-N 2.79Å; M185-H189 VanDerWaalsContact O-N 3.09Å; S186-H189 PolarHBondContact O-N 2.68Å; R187-H189 VanDerWaalsContact C-N 3.34Å
190	V	90.8	Very high	94.4	Very high	12 Å²	12	51.3 Å²	51.3	7%	0.073	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-88.9	117.1	171.5	-176.7	0	0	0	0	108.5	D141 L143 Y146 M185 Y188	D141-V190 VanDerWaalsContact C-CG2 3.45Å; D141-V190 VanDerWaalsContact CA-CG2 3.42Å; D141-V190 HydrophobicContact CB-CG2 4.48Å; D141-V190 WeakPolarHBondContact O-CG2 3.33Å; L143-V190 HydrophobicContact CB-CG1 3.97Å; L143-V190 HydrophobicContact CD1-CG1 3.99Å; Y146-V190 HydrophobicContact CD2-CG1 4.21Å; Y146-V190 HydrophobicContact CE2-CB 4.25Å; Y146-V190 HydrophobicContact CE2-CG1 4.35Å; Y146-V190 HydrophobicContact CE2-CG2 3.94Å; M185-V190 CarbonylContact C-O 3.18Å; M185-V190 HydrophobicContact CB-CB 4.16Å; M185-V190 HydrophobicContact CG-CB 4.48Å; M185-V190 PolarHBondContact O-N 2.94Å; Y188-V190 PolarHBondContact O-N 2.73Å
191	L	90.9	Very high	94.3	Very high	56 Å²	56	50.8 Å²	50.8	29%	0.293	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-81.9	127.7	171.4	-170.2	71	0	0	0	108.2	M218 M221 P222	L191-M218 HydrophobicContact CD1-CE 4.48Å; L191-M218 HydrophobicContact CD1-SD 4.37Å; L191-M218 HydrophobicContact CG-CE 4.41Å; L191-M221 HydrophobicContact CD1-CB 3.59Å; L191-P222 HydrophobicContact CD1-CG 4.18Å; L191-P222 HydrophobicContact CD2-CG 4.14Å
192	P	94.1	Very high	94.1	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.032	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-64.2	168.1	170.4	1.6	5.1	0	0	0	110.9	L182 M185 V196 Y214 L217 M218	L182-P192 HydrophobicContact CD2-CG 4.15Å; M185-P192 HydrophobicContact SD-CB 4.04Å; M185-P192 HydrophobicContact SD-CG 3.94Å; P192-V196 HydrophobicContact CB-CB 3.96Å; P192-V196 HydrophobicContact CB-CG1 3.85Å; P192-V196 HydrophobicContact CB-CG2 4.28Å; P192-Y214 HydrophobicContact CB-CD2 4.22Å; P192-Y214 HydrophobicContact CB-CE2 3.89Å; P192-Y214 HydrophobicContact CG-CD2 4.3Å; P192-Y214 HydrophobicContact CG-CE2 4.35Å; P192-L217 HydrophobicContact CG-CD2 3.56Å; P192-M218 HydrophobicContact CB-CE 3.32Å; P192-M218 HydrophobicContact CG-CE 3.36Å; P192-M218 WeakPolarHBondContact O-CE 3.4Å
193	D	93.7	Very high	93.9	Very high	47 Å²	47	54.5 Å²	54.5	25%	0.251	26%	0.264	S	S	.	.			trans	-117.1	-176.6	172.9	62.9	-5.1	0	0	0	111.2	L143 K147 E195 V196 G197 Y214	L143-D193 HydrophobicContact CD2-CB 4.09Å; K147-D193 VanDerWaalsContact CE-CG 3.5Å; K147-D193 VanDerWaalsContact CE-OD1 3.26Å; K147-D193 WeakPolarHBondContact CE-OD1 3.39Å; K147-D193 WeakPolarHBondContact CE-OD2 3.16Å; K147-D193 IonicContact NZ-OD1 3.23Å; K147-D193 IonicContact NZ-OD2 2.68Å; K147-D193 PolarHBondContact NZ-OD2 3.06Å; D193-E195 PolarHBondContact O-N 3.16Å; D193-E195 PolarHBondContact OD1-N 2.62Å; D193-V196 PolarHBondContact O-N 3.16Å; D193-V196 WeakPolarHBondContact OD1-CG2 3.28Å; D193-V196 PolarHBondContact OD1-N 2.96Å; D193-G197 PolarHBondContact O-N 2.98Å; D193-Y214 WeakPolarHBondContact O-CE2 3.48Å; D193-Y214 PolarHBondContact O-OH 3.22Å
194	D	95.4	Very high	93.8	Very high	133 Å²	133	50.4 Å²	50.4	71%	0.711	24%	0.242	S	C	*	.	H	α-helix	trans	-65.9	-29.4	176.9	-65.1	-27.8	0	0	0	111.6	G197 Q198	D194-G197 WeakPolarHBondContact O-CA 3.44Å; D194-G197 PolarHBondContact O-N 3.45Å; D194-G197 VanDerWaalsContact O-N 3.16Å; D194-Q198 PolarHBondContact O-N 2.9Å
195	E	97.1	Very high	93.5	Very high	81 Å²	81	49.3 Å²	49.3	38%	0.379	24%	0.24	S	C	.	.	H	α-helix	trans	-62	-47.5	173.8	-171.4	-172.6	161.8	0	0	110.5	K147 R151 D193 G197 Q198 M199	K147-E195 VanDerWaalsContact CE-OE2 3.32Å; K147-E195 WeakPolarHBondContact CE-OE2 3.44Å; K147-E195 IonicContact NZ-OE2 3.11Å; K147-E195 PolarHBondContact NZ-OE2 2.65Å; R151-E195 IonicContact NH2-OE1 3.35Å; R151-E195 PolarHBondContact NH2-OE1 3.06Å; D193-E195 PolarHBondContact O-N 3.16Å; D193-E195 PolarHBondContact OD1-N 2.62Å; E195-G197 PolarHBondContact O-N 3.49Å; E195-Q198 WeakPolarHBondContact O-CB 3.47Å; E195-Q198 PolarHBondContact O-N 3.04Å; E195-M199 VanDerWaalsContact O-CG 3.27Å; E195-M199 WeakPolarHBondContact O-CG 3.35Å; E195-M199 PolarHBondContact O-N 3.45Å
196	V	96.8	Very high	93.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.2	-40	173.5	169.9	0	0	0	0	111.2	L143 K147 I150 L182 M185 P192 D193 Q198 M199 I200 Y214	L143-V196 HydrophobicContact CD1-CG2 3.99Å; K147-V196 HydrophobicContact CG-CG2 3.88Å; I150-V196 HydrophobicContact CD1-CG1 3.88Å; I150-V196 HydrophobicContact CD1-CG2 4.18Å; L182-V196 HydrophobicContact CD2-CG1 4.37Å; M185-V196 HydrophobicContact CE-CG1 4.36Å; M185-V196 HydrophobicContact CE-CG2 4.19Å; P192-V196 HydrophobicContact CB-CB 3.96Å; P192-V196 HydrophobicContact CB-CG1 3.85Å; P192-V196 HydrophobicContact CB-CG2 4.28Å; D193-V196 PolarHBondContact O-N 3.16Å; D193-V196 WeakPolarHBondContact OD1-CG2 3.28Å; D193-V196 PolarHBondContact OD1-N 2.96Å; V196-Q198 PolarHBondContact O-N 3.41Å; V196-M199 PolarHBondContact O-N 2.87Å; V196-I200 HydrophobicContact CG1-CD1 4.14Å; V196-I200 WeakPolarHBondContact O-CG1 3.4Å; V196-I200 PolarHBondContact O-N 3.05Å; V196-Y214 HydrophobicContact CB-CE2 4.43Å; V196-Y214 HydrophobicContact CG1-CD2 4.3Å; V196-Y214 HydrophobicContact CG1-CE2 4.23Å
197	G	96.5	Very high	93.2	Very high	3 Å²	3	62.1 Å²	62.1	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-46.1	173.9	0	0	0	0	0	112.5	D193 D194 E195 I200 I201 Y214	D193-G197 PolarHBondContact O-N 2.98Å; D194-G197 WeakPolarHBondContact O-CA 3.44Å; D194-G197 PolarHBondContact O-N 3.45Å; D194-G197 VanDerWaalsContact O-N 3.16Å; E195-G197 PolarHBondContact O-N 3.49Å; G197-I200 PolarHBondContact O-N 3.27Å; G197-I201 WeakPolarHBondContact O-CG1 3.45Å; G197-I201 PolarHBondContact O-N 3.04Å; G197-Y214 VanDerWaalsContact CA-CZ 3.44Å
198	Q	96.4	Very high	93.2	Very high	95 Å²	95	53.7 Å²	53.7	44%	0.444	25%	0.251	S	S	.	.	H	α-helix	trans	-64.6	-41.7	176.7	-171.8	57.7	45.7	0	0	112.1	D194 E195 V196 I200 I201 D202	D194-Q198 PolarHBondContact O-N 2.9Å; E195-Q198 WeakPolarHBondContact O-CB 3.47Å; E195-Q198 PolarHBondContact O-N 3.04Å; V196-Q198 PolarHBondContact O-N 3.41Å; Q198-I200 VanDerWaalsContact C-N 3.3Å; Q198-I200 PolarHBondContact O-N 2.89Å; Q198-I201 CarbonylContact O-C 3.54Å; Q198-I201 WeakPolarHBondContact O-CA 2.91Å; Q198-I201 WeakPolarHBondContact O-CB 3.24Å; Q198-I201 PolarHBondContact O-N 2.8Å; Q198-D202 PolarHBondContact NE2-OD1 3.43Å; Q198-D202 VanDerWaalsContact O-CG 3.27Å; Q198-D202 PolarHBondContact O-N 3.41Å
199	M	96.6	Very high	93.3	Very high	23 Å²	23	54.7 Å²	54.7	11%	0.113	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-39.2	176.6	-66.1	177.9	82.9	0	0	112.3	K147 I150 R151 E195 V196 I201 D202 V203	K147-M199 HydrophobicContact CB-SD 4.24Å; K147-M199 HydrophobicContact CG-SD 4.23Å; K147-M199 WeakPolarHBondContact O-CE 3.2Å; I150-M199 HydrophobicContact CB-CE 3.73Å; I150-M199 HydrophobicContact CB-SD 4.31Å; I150-M199 HydrophobicContact CG2-CB 3.81Å; I150-M199 HydrophobicContact CG2-CE 3.53Å; I150-M199 HydrophobicContact CG2-SD 4.07Å; R151-M199 HydrophobicContact CB-CE 4.29Å; R151-M199 HydrophobicContact CG-CE 3.37Å; E195-M199 VanDerWaalsContact O-CG 3.27Å; E195-M199 WeakPolarHBondContact O-CG 3.35Å; E195-M199 PolarHBondContact O-N 3.45Å; V196-M199 PolarHBondContact O-N 2.87Å; M199-I201 VanDerWaalsContact C-N 3.29Å; M199-I201 PolarHBondContact O-N 3.25Å; M199-D202 PolarHBondContact O-N 3Å; M199-V203 VanDerWaalsContact O-CG2 3.27Å; M199-V203 WeakPolarHBondContact O-CG2 3.43Å; M199-V203 PolarHBondContact O-N 3.44Å; M199-V203 VanDerWaalsContact O-N 3.11Å
200	I	95.7	Very high	93.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-38.8	174.9	-66.8	165.3	0	0	0	110.6	M178 L182 V196 G197 Q198 F204 A210 M211 Y214	M178-I200 HydrophobicContact CE-CG1 4.15Å; M178-I200 HydrophobicContact CG-CG1 4.18Å; M178-I200 HydrophobicContact SD-CG1 3.94Å; L182-I200 HydrophobicContact CD1-CD1 4.19Å; L182-I200 HydrophobicContact CD2-CD1 4.34Å; V196-I200 HydrophobicContact CG1-CD1 4.14Å; V196-I200 WeakPolarHBondContact O-CG1 3.4Å; V196-I200 PolarHBondContact O-N 3.05Å; G197-I200 PolarHBondContact O-N 3.27Å; Q198-I200 VanDerWaalsContact C-N 3.3Å; Q198-I200 PolarHBondContact O-N 2.89Å; I200-F204 PolarHBondContact O-N 2.65Å; I200-A210 HydrophobicContact CG2-CB 4.38Å; I200-M211 HydrophobicContact CB-SD 4.44Å; I200-M211 HydrophobicContact CG2-CB 3.92Å; I200-M211 HydrophobicContact CG2-SD 4.12Å; I200-Y214 HydrophobicContact CD1-CD2 3.97Å; I200-Y214 HydrophobicContact CD1-CG 4Å
201	I	94.3	Very high	93.8	Very high	34 Å²	34	47.2 Å²	47.2	17%	0.174	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-42.2	176.6	-64.4	163.7	0	0	0	110.7	G197 Q198 M199 V203 G205 W206 M211	G197-I201 WeakPolarHBondContact O-CG1 3.45Å; G197-I201 PolarHBondContact O-N 3.04Å; Q198-I201 CarbonylContact O-C 3.54Å; Q198-I201 WeakPolarHBondContact O-CA 2.91Å; Q198-I201 WeakPolarHBondContact O-CB 3.24Å; Q198-I201 PolarHBondContact O-N 2.8Å; M199-I201 VanDerWaalsContact C-N 3.29Å; M199-I201 PolarHBondContact O-N 3.25Å; I201-V203 VanDerWaalsContact C-N 3.28Å; I201-V203 PolarHBondContact O-N 3.26Å; I201-G205 WeakPolarHBondContact O-CA 3.41Å; I201-G205 PolarHBondContact O-N 3.29Å; I201-W206 HydrophobicContact CD1-CE3 3.63Å; I201-W206 HydrophobicContact CD1-CZ3 3.76Å; I201-W206 HydrophobicContact CG1-CE3 4.13Å; I201-M211 HydrophobicContact CD1-CE 4.06Å; I201-M211 HydrophobicContact CG1-CE 4.27Å; I201-M211 HydrophobicContact CG1-SD 4.24Å
202	D	93.9	Very high	94	Very high	75 Å²	75	48.3 Å²	48.3	40%	0.401	23%	0.226	S	C	.	.	H	α-helix	trans	-68	-29.2	-178.8	-63.5	-17.9	0	0	0	112.7	T155 G156 Q198 M199	T155-D202 HydrophobicContact CG2-CB 4.33Å; G156-D202 PolarHBondContact N-O 3.12Å; Q198-D202 PolarHBondContact NE2-OD1 3.43Å; Q198-D202 VanDerWaalsContact O-CG 3.27Å; Q198-D202 PolarHBondContact O-N 3.41Å; M199-D202 PolarHBondContact O-N 3Å
203	V	93.3	Very high	94	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-82	-56	176.9	176.4	0	0	0	0	111.2	F153 T155 M158 T159 M199 I201	F153-V203 HydrophobicContact CB-CB 4.29Å; F153-V203 HydrophobicContact CB-CG1 3.68Å; F153-V203 HydrophobicContact CB-CG2 3.53Å; F153-V203 HydrophobicContact CD1-CG1 3.89Å; F153-V203 HydrophobicContact CG-CG1 4.03Å; F153-V203 HydrophobicContact CG-CG2 4.36Å; T155-V203 HydrophobicContact CG2-CG2 4.39Å; M158-V203 CarbonylContact C-O 3.58Å; M158-V203 HydrophobicContact CB-CG1 4.5Å; M158-V203 WeakPolarHBondContact CB-O 3.26Å; M158-V203 HydrophobicContact SD-CG1 4.4Å; T159-V203 PolarHBondContact N-O 2.68Å; M199-V203 VanDerWaalsContact O-CG2 3.27Å; M199-V203 WeakPolarHBondContact O-CG2 3.43Å; M199-V203 PolarHBondContact O-N 3.44Å; M199-V203 VanDerWaalsContact O-N 3.11Å; I201-V203 VanDerWaalsContact C-N 3.28Å; I201-V203 PolarHBondContact O-N 3.26Å
204	F	92.7	Very high	94.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-111.1	-15.3	-168.4	-63.9	-71.5	0	0	0	114.5	F153 M158 V160 Q174 Q175 M178 I200 N208	F153-F204 HydrophobicContact CD1-CE2 4.35Å; F153-F204 HydrophobicContact CD1-CZ 4.04Å; F153-F204 HydrophobicContact CE1-CE2 4.23Å; F153-F204 AromaticContact CE1-CZ 3.84Å; F153-F204 HydrophobicContact CE1-CZ 3.84Å; M158-F204 HydrophobicContact CB-CD1 4.13Å; M158-F204 HydrophobicContact CB-CE1 4.35Å; M158-F204 HydrophobicContact CE-CD1 4.2Å; M158-F204 HydrophobicContact CE-CE1 3.35Å; M158-F204 HydrophobicContact CE-CZ 3.98Å; M158-F204 HydrophobicContact SD-CE1 4.43Å; V160-F204 WeakPolarHBondContact CG2-O 3.36Å; V160-F204 PolarHBondContact N-O 2.84Å; Q174-F204 HydrophobicContact CB-CE1 4.11Å; Q174-F204 HydrophobicContact CB-CZ 4.08Å; Q175-F204 HydrophobicContact CG-CD1 3.81Å; Q175-F204 HydrophobicContact CG-CE1 3.65Å; Q175-F204 HydrophobicContact CG-CG 4.37Å; Q175-F204 HydrophobicContact CG-CZ 4.12Å; M178-F204 HydrophobicContact CB-CE2 3.85Å; M178-F204 HydrophobicContact CB-CZ 4.44Å; M178-F204 HydrophobicContact CE-CD2 4.25Å; M178-F204 HydrophobicContact CE-CE2 3.67Å; M178-F204 HydrophobicContact CG-CE2 4.13Å; I200-F204 PolarHBondContact O-N 2.65Å; F204-N208 HydrophobicContact CB-CB 3.91Å; F204-N208 WeakPolarHBondContact CB-ND2 3.25Å
205	G	91.1	Very high	94.2	Very high	11 Å²	11	45.5 Å²	45.5	11%	0.113	21%	0.206	C	C	.	.			trans	88.4	177.7	-173.4	0	0	0	0	0	113.6	I201 R207 N208	I201-G205 WeakPolarHBondContact O-CA 3.41Å; I201-G205 PolarHBondContact O-N 3.29Å; G205-R207 PolarHBondContact O-N 3.29Å; G205-N208 PolarHBondContact O-ND2 3.19Å
206	W	90.1	Very high	94.1	Very high	150 Å²	150	49.3 Å²	49.3	57%	0.568	22%	0.216	S	C	*	.	S	Bend	trans	-67.6	-29.5	-172.7	-178.3	-103.5	0	0	0	115.5	I201 M211 R215	I201-W206 HydrophobicContact CD1-CE3 3.63Å; I201-W206 HydrophobicContact CD1-CZ3 3.76Å; I201-W206 HydrophobicContact CG1-CE3 4.13Å; W206-M211 HydrophobicContact CE3-CE 4.49Å; W206-M211 HydrophobicContact CZ3-CE 4.14Å; W206-R215 PolarHBondContact O-NH2 3.24Å; W206-R215 VanDerWaalsContact O-NH2 3.1Å
207	R	89.4	Confident	93.9	Very high	162 Å²	162	50.3 Å²	50.3	61%	0.611	22%	0.222	S	C	*	.	S	Bend	trans	-112.8	92.5	-176.9	-68.4	-168	172.2	107.5	-2.9	110	A166 G205	A166-R207 HydrophobicContact CB-CB 3.79Å; A166-R207 WeakPolarHBondContact CB-O 3.34Å; G205-R207 PolarHBondContact O-N 3.29Å
208	N	90.9	Very high	93.8	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.059	23%	0.231	C	C	.	.	S	Bend	trans	-152.1	163.6	174.6	73.7	76	0	0	0	110	F204 G205 A210 M211 Q212	F204-N208 HydrophobicContact CB-CB 3.91Å; F204-N208 WeakPolarHBondContact CB-ND2 3.25Å; G205-N208 PolarHBondContact O-ND2 3.19Å; N208-A210 VanDerWaalsContact OD1-CA 3.32Å; N208-A210 WeakPolarHBondContact OD1-CA 3.29Å; N208-A210 VanDerWaalsContact OD1-CB 3.27Å; N208-A210 WeakPolarHBondContact OD1-CB 3.49Å; N208-A210 PolarHBondContact OD1-N 3.31Å; N208-M211 WeakPolarHBondContact ND2-CB 3.48Å; N208-M211 PolarHBondContact O-N 3.29Å; N208-M211 PolarHBondContact OD1-N 2.87Å; N208-Q212 PolarHBondContact O-N 3.02Å; N208-Q212 VanDerWaalsContact O-N 3.15Å
209	H	92.7	Very high	93.6	Very high	94 Å²	94	53.9 Å²	53.9	44%	0.435	23%	0.234	S	C	.	.	H	α-helix	trans	-69.3	-33.9	-177.4	-65.2	-72.8	0	0	0	112.9	Q175 I179 Q212 T213	Q175-H209 PolarHBondContact OE1-CD2 3.25Å; I179-H209 HydrophobicContact CD1-CB 4.23Å; H209-Q212 WeakPolarHBondContact O-CB 3.44Å; H209-Q212 PolarHBondContact O-N 3.13Å; H209-T213 PolarHBondContact O-N 2.97Å; H209-T213 PolarHBondContact O-OG1 2.87Å
210	A	94.4	Very high	93.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-40.9	176.3	0	0	0	0	0	112.2	M178 I179 L182 I200 N208 Q212 T213 Y214	M178-A210 HydrophobicContact CB-CB 3.86Å; M178-A210 HydrophobicContact CG-CB 3.62Å; I179-A210 HydrophobicContact CG1-CB 4.05Å; L182-A210 WeakPolarHBondContact CD1-O 3.06Å; I200-A210 HydrophobicContact CG2-CB 4.38Å; N208-A210 VanDerWaalsContact OD1-CA 3.32Å; N208-A210 WeakPolarHBondContact OD1-CA 3.29Å; N208-A210 VanDerWaalsContact OD1-CB 3.27Å; N208-A210 WeakPolarHBondContact OD1-CB 3.49Å; N208-A210 PolarHBondContact OD1-N 3.31Å; A210-Q212 VanDerWaalsContact C-N 3.31Å; A210-Q212 PolarHBondContact O-N 3.44Å; A210-T213 WeakPolarHBondContact O-CB 3.2Å; A210-T213 PolarHBondContact O-N 3.41Å; A210-Y214 PolarHBondContact O-N 2.72Å
211	M	94.6	Very high	93.1	Very high	8 Å²	8	62.5 Å²	62.5	4%	0.039	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-36.1	174.1	-171.6	61.6	-175.5	0	0	111.5	I200 I201 W206 N208 T213 Y214 R215	I200-M211 HydrophobicContact CB-SD 4.44Å; I200-M211 HydrophobicContact CG2-CB 3.92Å; I200-M211 HydrophobicContact CG2-SD 4.12Å; I201-M211 HydrophobicContact CD1-CE 4.06Å; I201-M211 HydrophobicContact CG1-CE 4.27Å; I201-M211 HydrophobicContact CG1-SD 4.24Å; W206-M211 HydrophobicContact CE3-CE 4.49Å; W206-M211 HydrophobicContact CZ3-CE 4.14Å; N208-M211 WeakPolarHBondContact ND2-CB 3.48Å; N208-M211 PolarHBondContact O-N 3.29Å; N208-M211 PolarHBondContact OD1-N 2.87Å; M211-T213 VanDerWaalsContact C-N 3.34Å; M211-Y214 HydrophobicContact CE-CD1 3.9Å; M211-Y214 HydrophobicContact CE-CE1 4.1Å; M211-Y214 PolarHBondContact O-N 3.18Å; M211-Y214 HydrophobicContact SD-CD1 3.83Å; M211-Y214 HydrophobicContact SD-CE1 4.5Å; M211-Y214 HydrophobicContact SD-CG 4.45Å; M211-R215 HydrophobicContact CE-CG 4.25Å; M211-R215 WeakPolarHBondContact O-CB 3.41Å; M211-R215 VanDerWaalsContact O-CG 3.29Å; M211-R215 WeakPolarHBondContact O-CG 3.43Å; M211-R215 PolarHBondContact O-N 3.4Å
212	Q	93.9	Very high	92.7	Very high	80 Å²	80	62.6 Å²	62.6	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-39.3	174.1	-175.8	56.7	57.7	0	0	111.9	N208 H209 A210 R216	N208-Q212 PolarHBondContact O-N 3.02Å; N208-Q212 VanDerWaalsContact O-N 3.15Å; H209-Q212 WeakPolarHBondContact O-CB 3.44Å; H209-Q212 PolarHBondContact O-N 3.13Å; A210-Q212 VanDerWaalsContact C-N 3.31Å; A210-Q212 PolarHBondContact O-N 3.44Å; Q212-R216 WeakPolarHBondContact O-CG 3.37Å; Q212-R216 PolarHBondContact O-N 3.04Å; Q212-R216 VanDerWaalsContact O-N 3.16Å
213	T	95	Very high	92.4	Very high	35 Å²	35	64.1 Å²	64.1	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-65.1	-48.9	173.3	-60.5	0	0	0	0	111.2	I179 L182 H209 A210 M211 R215 R216 L217	I179-T213 HydrophobicContact CG2-CG2 4.41Å; L182-T213 HydrophobicContact CB-CG2 4.48Å; L182-T213 HydrophobicContact CD1-CG2 4.15Å; H209-T213 PolarHBondContact O-N 2.97Å; H209-T213 PolarHBondContact O-OG1 2.87Å; A210-T213 WeakPolarHBondContact O-CB 3.2Å; A210-T213 PolarHBondContact O-N 3.41Å; M211-T213 VanDerWaalsContact C-N 3.34Å; T213-R215 VanDerWaalsContact C-N 3.33Å; T213-R215 PolarHBondContact O-N 2.84Å; T213-R216 PolarHBondContact O-N 3.23Å; T213-R216 VanDerWaalsContact O-N 3.16Å; T213-L217 WeakPolarHBondContact O-CB 3.46Å; T213-L217 PolarHBondContact O-N 3.39Å
214	Y	97.1	Very high	92.1	Very high	14 Å²	14	69 Å²	69	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-54.1	-47	175.3	168.9	-91.6	0	0	0	112	L182 P192 D193 V196 G197 I200 A210 M211 R216 L217 M218	L182-Y214 HydrophobicContact CD2-CD2 4.24Å; P192-Y214 HydrophobicContact CB-CD2 4.22Å; P192-Y214 HydrophobicContact CB-CE2 3.89Å; P192-Y214 HydrophobicContact CG-CD2 4.3Å; P192-Y214 HydrophobicContact CG-CE2 4.35Å; D193-Y214 WeakPolarHBondContact O-CE2 3.48Å; D193-Y214 PolarHBondContact O-OH 3.22Å; V196-Y214 HydrophobicContact CB-CE2 4.43Å; V196-Y214 HydrophobicContact CG1-CD2 4.3Å; V196-Y214 HydrophobicContact CG1-CE2 4.23Å; G197-Y214 VanDerWaalsContact CA-CZ 3.44Å; I200-Y214 HydrophobicContact CD1-CD2 3.97Å; I200-Y214 HydrophobicContact CD1-CG 4Å; A210-Y214 PolarHBondContact O-N 2.72Å; M211-Y214 HydrophobicContact CE-CD1 3.9Å; M211-Y214 HydrophobicContact CE-CE1 4.1Å; M211-Y214 PolarHBondContact O-N 3.18Å; M211-Y214 HydrophobicContact SD-CD1 3.83Å; M211-Y214 HydrophobicContact SD-CE1 4.5Å; M211-Y214 HydrophobicContact SD-CG 4.45Å; Y214-R216 PolarHBondContact O-N 2.96Å; Y214-L217 WeakPolarHBondContact O-CB 3.44Å; Y214-L217 PolarHBondContact O-N 3.13Å; Y214-M218 HydrophobicContact CD1-CG 4.29Å; Y214-M218 HydrophobicContact CD2-CE 4.25Å; Y214-M218 HydrophobicContact CD2-CG 4.34Å; Y214-M218 HydrophobicContact CE1-CG 3.82Å; Y214-M218 HydrophobicContact CE2-CE 3.53Å; Y214-M218 HydrophobicContact CE2-CG 3.92Å; Y214-M218 WeakPolarHBondContact O-CB 3.42Å; Y214-M218 WeakPolarHBondContact O-CG 3.36Å; Y214-M218 PolarHBondContact O-N 3.4Å
215	R	95.6	Very high	91.5	Very high	77 Å²	77	72.7 Å²	72.7	29%	0.291	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-40.4	178.2	-73.8	176.2	-173.3	149.5	13.5	113	W206 M211 T213 L217 M218 Y219	W206-R215 PolarHBondContact O-NH2 3.24Å; W206-R215 VanDerWaalsContact O-NH2 3.1Å; M211-R215 HydrophobicContact CE-CG 4.25Å; M211-R215 WeakPolarHBondContact O-CB 3.41Å; M211-R215 VanDerWaalsContact O-CG 3.29Å; M211-R215 WeakPolarHBondContact O-CG 3.43Å; M211-R215 PolarHBondContact O-N 3.4Å; T213-R215 VanDerWaalsContact C-N 3.33Å; T213-R215 PolarHBondContact O-N 2.84Å; R215-L217 VanDerWaalsContact C-N 3.32Å; R215-M218 PolarHBondContact O-N 2.95Å; R215-Y219 VanDerWaalsContact O-CB 3.32Å; R215-Y219 WeakPolarHBondContact O-CB 3.29Å; R215-Y219 PolarHBondContact O-N 3.48Å
216	R	94.9	Very high	90.9	Very high	160 Å²	160	77.5 Å²	77.5	60%	0.604	33%	0.329	S	S	*	.	H	α-helix	trans	-64.7	-41.6	176.4	-73.3	175.8	-173.1	-179.8	3.9	110.8	Q212 T213 Y214 Y219 W220	Q212-R216 WeakPolarHBondContact O-CG 3.37Å; Q212-R216 PolarHBondContact O-N 3.04Å; Q212-R216 VanDerWaalsContact O-N 3.16Å; T213-R216 PolarHBondContact O-N 3.23Å; T213-R216 VanDerWaalsContact O-N 3.16Å; Y214-R216 PolarHBondContact O-N 2.96Å; R216-Y219 PolarHBondContact O-N 2.71Å; R216-W220 PolarHBondContact O-N 3.05Å
217	L	93.6	Very high	90.5	Very high	22 Å²	22	74.4 Å²	74.4	12%	0.115	33%	0.331	C	S	.	.	H	α-helix	trans	-60.8	-51	175.2	-166.2	72.5	0	0	0	110.4	P192 T213 Y214 R215 Y219 W220 M221	P192-L217 HydrophobicContact CG-CD2 3.56Å; T213-L217 WeakPolarHBondContact O-CB 3.46Å; T213-L217 PolarHBondContact O-N 3.39Å; Y214-L217 WeakPolarHBondContact O-CB 3.44Å; Y214-L217 PolarHBondContact O-N 3.13Å; R215-L217 VanDerWaalsContact C-N 3.32Å; L217-Y219 VanDerWaalsContact C-N 3.27Å; L217-Y219 PolarHBondContact O-N 2.61Å; L217-W220 PolarHBondContact O-N 3.14Å; L217-M221 HydrophobicContact CD1-CG 3.28Å; L217-M221 HydrophobicContact CD1-SD 4.14Å; L217-M221 HydrophobicContact CG-CG 3.7Å; L217-M221 VanDerWaalsContact O-CB 3.25Å; L217-M221 WeakPolarHBondContact O-CB 3.16Å; L217-M221 WeakPolarHBondContact O-CG 3.18Å; L217-M221 PolarHBondContact O-N 2.97Å
218	M	93.9	Very high	90	Very high	43 Å²	43	69.1 Å²	69.1	21%	0.212	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-25.7	178.2	-75.3	-57.2	160.7	0	0	114.8	L191 P192 Y214 R215 P222	L191-M218 HydrophobicContact CD1-CE 4.48Å; L191-M218 HydrophobicContact CD1-SD 4.37Å; L191-M218 HydrophobicContact CG-CE 4.41Å; P192-M218 HydrophobicContact CB-CE 3.32Å; P192-M218 HydrophobicContact CG-CE 3.36Å; P192-M218 WeakPolarHBondContact O-CE 3.4Å; Y214-M218 HydrophobicContact CD1-CG 4.29Å; Y214-M218 HydrophobicContact CD2-CE 4.25Å; Y214-M218 HydrophobicContact CD2-CG 4.34Å; Y214-M218 HydrophobicContact CE1-CG 3.82Å; Y214-M218 HydrophobicContact CE2-CE 3.53Å; Y214-M218 HydrophobicContact CE2-CG 3.92Å; Y214-M218 WeakPolarHBondContact O-CB 3.42Å; Y214-M218 WeakPolarHBondContact O-CG 3.36Å; Y214-M218 PolarHBondContact O-N 3.4Å; R215-M218 PolarHBondContact O-N 2.95Å; M218-P222 WeakPolarHBondContact O-CD 3.27Å; M218-P222 VanDerWaalsContact O-CG 3.29Å; M218-P222 WeakPolarHBondContact O-CG 3.37Å
219	Y	92.4	Very high	89.3	Confident	129 Å²	129	73.5 Å²	73.5	51%	0.506	34%	0.344	S	S	.	.	H	α-helix	trans	-76	-39	177.1	-179.4	-96.9	0	0	0	112.7	R215 R216 L217 K223	R215-Y219 VanDerWaalsContact O-CB 3.32Å; R215-Y219 WeakPolarHBondContact O-CB 3.29Å; R215-Y219 PolarHBondContact O-N 3.48Å; R216-Y219 PolarHBondContact O-N 2.71Å; L217-Y219 VanDerWaalsContact C-N 3.27Å; L217-Y219 PolarHBondContact O-N 2.61Å; Y219-K223 VanDerWaalsContact CE2-NZ 3.3Å; Y219-K223 WeakPolarHBondContact O-CD 3.31Å; Y219-K223 VanDerWaalsContact O-CE 3.31Å; Y219-K223 WeakPolarHBondContact O-CE 3.03Å; Y219-K223 PolarHBondContact OH-NZ 3.4Å
220	W	92	Very high	88.5	Confident	145 Å²	145	75 Å²	75	55%	0.549	35%	0.346	S	S	.	.	H	α-helix	trans	-99.5	-43.2	-173.5	-69.9	116.5	0	0	0	113.9	R216 L217 K223 L224	R216-W220 PolarHBondContact O-N 3.05Å; L217-W220 PolarHBondContact O-N 3.14Å; W220-K223 WeakPolarHBondContact O-CB 3.46Å; W220-K223 PolarHBondContact O-N 3.06Å; W220-K223 VanDerWaalsContact O-N 3.15Å; W220-L224 PolarHBondContact O-N 2.98Å; W220-L224 VanDerWaalsContact O-N 3.15Å
221	M	88.8	Confident	87.4	Confident	60 Å²	60	79.5 Å²	79.5	30%	0.296	37%	0.373	S	S	.	.	H	α-helix	trans	-63.1	-44	-170.8	-66.7	-57.7	101.9	0	0	113.4	L191 L217 K223 L224 Y225	L191-M221 HydrophobicContact CD1-CB 3.59Å; L217-M221 HydrophobicContact CD1-CG 3.28Å; L217-M221 HydrophobicContact CD1-SD 4.14Å; L217-M221 HydrophobicContact CG-CG 3.7Å; L217-M221 VanDerWaalsContact O-CB 3.25Å; L217-M221 WeakPolarHBondContact O-CB 3.16Å; L217-M221 WeakPolarHBondContact O-CG 3.18Å; L217-M221 PolarHBondContact O-N 2.97Å; M221-K223 PolarHBondContact O-N 3.07Å; M221-L224 HydrophobicContact CE-CD1 3.77Å; M221-L224 PolarHBondContact O-N 2.91Å; M221-Y225 VanDerWaalsContact O-CB 3.23Å; M221-Y225 WeakPolarHBondContact O-CB 3.35Å; M221-Y225 PolarHBondContact O-N 2.89Å
222	P	87.2	Confident	86.4	Confident	35 Å²	35	81.6 Å²	81.6	23%	0.227	38%	0.384	C	S	.	.	H	α-helix	trans	-58.6	-36.5	176.2	-25.5	35.8	0	0	0	112.6	L191 M218 Y225 Y226	L191-P222 HydrophobicContact CD1-CG 4.18Å; L191-P222 HydrophobicContact CD2-CG 4.14Å; M218-P222 WeakPolarHBondContact O-CD 3.27Å; M218-P222 VanDerWaalsContact O-CG 3.29Å; M218-P222 WeakPolarHBondContact O-CG 3.37Å; P222-Y225 PolarHBondContact O-N 3.37Å; P222-Y226 WeakPolarHBondContact O-CD2 3.37Å; P222-Y226 PolarHBondContact O-N 2.74Å
223	K	87.7	Confident	85.2	Confident	107 Å²	107	79.8 Å²	79.8	47%	0.465	38%	0.38	S	S	.	.	H	α-helix	trans	-68.7	-38.7	179.8	-62.5	176.7	-177	167.6	0	112.6	Y219 W220 M221 S227	Y219-K223 VanDerWaalsContact CE2-NZ 3.3Å; Y219-K223 WeakPolarHBondContact O-CD 3.31Å; Y219-K223 VanDerWaalsContact O-CE 3.31Å; Y219-K223 WeakPolarHBondContact O-CE 3.03Å; Y219-K223 PolarHBondContact OH-NZ 3.4Å; W220-K223 WeakPolarHBondContact O-CB 3.46Å; W220-K223 PolarHBondContact O-N 3.06Å; W220-K223 VanDerWaalsContact O-N 3.15Å; M221-K223 PolarHBondContact O-N 3.07Å; K223-S227 WeakPolarHBondContact O-CB 3.36Å; K223-S227 PolarHBondContact O-N 2.94Å
224	L	86.2	Confident	83.9	Confident	105 Å²	105	84 Å²	84	55%	0.55	40%	0.4	S	S	.	.	H	α-helix	trans	-76.8	-34.1	177.4	-65.2	176	0	0	0	111.6	W220 M221 Y226 S227	W220-L224 PolarHBondContact O-N 2.98Å; W220-L224 VanDerWaalsContact O-N 3.15Å; M221-L224 HydrophobicContact CE-CD1 3.77Å; M221-L224 PolarHBondContact O-N 2.91Å; L224-Y226 VanDerWaalsContact C-N 3.32Å; L224-Y226 PolarHBondContact O-N 2.98Å; L224-S227 PolarHBondContact O-N 2.74Å; L224-S227 PolarHBondContact O-OG 3.11Å
225	Y	79.4	Confident	82.5	Confident	79 Å²	79	88.3 Å²	88.3	31%	0.31	42%	0.416	S	S	.	.	H	α-helix	trans	-62.8	-40.9	179.4	-167.7	-85.5	0	0	0	111.7	M221 P222 L234	M221-Y225 VanDerWaalsContact O-CB 3.23Å; M221-Y225 WeakPolarHBondContact O-CB 3.35Å; M221-Y225 PolarHBondContact O-N 2.89Å; P222-Y225 PolarHBondContact O-N 3.37Å; Y225-L234 HydrophobicContact CE2-CD2 4.31Å; Y225-L234 WeakPolarHBondContact OH-CD2 3.3Å; Y225-L234 VanDerWaalsContact OH-CG 3.24Å; Y225-L234 WeakPolarHBondContact OH-CG 3.28Å
226	Y	78.6	Confident	81.1	Confident	111 Å²	111	85.2 Å²	85.2	44%	0.435	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	11.2	178.5	-55.6	-65.4	0	0	0	113.9	P222 L224 N228 T231 I422	P222-Y226 WeakPolarHBondContact O-CD2 3.37Å; P222-Y226 PolarHBondContact O-N 2.74Å; L224-Y226 VanDerWaalsContact C-N 3.32Å; L224-Y226 PolarHBondContact O-N 2.98Å; Y226-N228 VanDerWaalsContact C-N 3.26Å; Y226-N228 PolarHBondContact O-N 3.36Å; Y226-T231 HydrophobicContact CD1-CG2 4.28Å; Y226-I422 HydrophobicContact CE2-CG2 4.27Å
227	S	82.9	Confident	79.6	Confident	85 Å²	85	79.4 Å²	79.4	59%	0.594	39%	0.391	S	S	*	.			trans	-70.3	-26.6	-179.9	67.9	0	0	0	0	112.7	K223 L224	K223-S227 WeakPolarHBondContact O-CB 3.36Å; K223-S227 PolarHBondContact O-N 2.94Å; L224-S227 PolarHBondContact O-N 2.74Å; L224-S227 PolarHBondContact O-OG 3.11Å
228	N	78.4	Confident	78.2	Confident	51 Å²	51	79.7 Å²	79.7	27%	0.273	39%	0.393	S	S	.	.	S	Bend	trans	-78.7	120.2	174.3	177.8	8.5	0	0	0	109.1	Y226 W230	Y226-N228 VanDerWaalsContact C-N 3.26Å; Y226-N228 PolarHBondContact O-N 3.36Å; N228-W230 PolarHBondContact ND2-O 3.3Å; N228-W230 PolarHBondContact O-N 3.09Å; N228-W230 VanDerWaalsContact O-N 3.13Å; N228-W230 PolarHBondContact OD1-N 3.07Å
229	P	76.2	Confident	76.7	Confident	104 Å²	104	80.5 Å²	80.5	68%	0.675	40%	0.398	S	S	*	.	S	Bend	trans	-65	-15.6	179.4	26.3	-33.6	0	0	0	113.3
230	W	75.4	Confident	75.4	Confident	126 Å²	126	74.9 Å²	74.9	48%	0.477	38%	0.377	S	S	.	.	S	Bend	trans	-108.9	85.1	174.9	-53.1	-79.4	0	0	0	110.2	N228 P257	N228-W230 PolarHBondContact ND2-O 3.3Å; N228-W230 PolarHBondContact O-N 3.09Å; N228-W230 VanDerWaalsContact O-N 3.13Å; N228-W230 PolarHBondContact OD1-N 3.07Å; W230-P257 HydrophobicContact CZ2-CB 4.39Å
231	T	72.1	Confident	74.3	Confident	94 Å²	94	70.6 Å²	70.6	58%	0.577	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-66.5	141.5	-178.8	54.9	0	0	0	0	111.9	Y226	Y226-T231 HydrophobicContact CD1-CG2 4.28Å
232	L	72.3	Confident	73.5	Confident	52 Å²	52	73.9 Å²	73.9	27%	0.272	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-100.7	143.8	-179.1	-60.5	175	0	0	0	111.4	L234 F324 K325	L232-L234 PolarHBondContact O-N 2.97Å; L232-F324 HydrophobicContact CD2-CD2 4.15Å; L232-F324 HydrophobicContact CD2-CE1 4.46Å; L232-F324 HydrophobicContact CD2-CE2 3.35Å; L232-F324 HydrophobicContact CD2-CZ 3.53Å; L232-K325 HydrophobicContact CD1-CG 3.87Å
233	P	70.5	Confident	73.1	Confident	42 Å²	42	75.5 Å²	75.5	27%	0.273	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-54.3	137.5	171	-22.2	30.9	0	0	0	111.5	I236 L250 K325	P233-I236 WeakPolarHBondContact O-CG1 3.31Å; P233-L250 HydrophobicContact CG-CD1 3.79Å; P233-K325 WeakPolarHBondContact O-CE 3.41Å; P233-K325 PolarHBondContact O-NZ 2.74Å
234	L	67.2	Low	72.8	Confident	122 Å²	122	72.6 Å²	72.6	64%	0.639	38%	0.381	S	S	*	.	S	Bend	trans	-64.2	-47	-176.1	-86.6	154.7	0	0	0	112.4	Y225 L232 K325	Y225-L234 HydrophobicContact CE2-CD2 4.31Å; Y225-L234 WeakPolarHBondContact OH-CD2 3.3Å; Y225-L234 VanDerWaalsContact OH-CG 3.24Å; Y225-L234 WeakPolarHBondContact OH-CG 3.28Å; L232-L234 PolarHBondContact O-N 2.97Å; L234-K325 PolarHBondContact O-NZ 3.25Å
235	R	68.3	Low	72.8	Confident	106 Å²	106	69.4 Å²	69.4	40%	0.4	37%	0.365	S	S	.	.			trans	-111.2	65.5	-169.4	-64.3	-170.6	179.2	-166.4	-1.9	113.7	D142 A237 D238 D239	D142-R235 IonicContact OD1-NH2 3.77Å; D142-R235 IonicContact OD2-NH2 3.02Å; R235-A237 VanDerWaalsContact C-N 3.31Å; R235-A237 PolarHBondContact O-N 2.87Å; R235-D238 PolarHBondContact O-N 3.33Å; R235-D239 PolarHBondContact O-N 2.85Å
236	I	65.8	Low	73.1	Confident	12 Å²	12	71.8 Å²	71.8	6%	0.062	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-35.9	-174.8	-58.6	171.6	0	0	0	113.1	P233 D239 L240 L247 F324 K325 L327	P233-I236 WeakPolarHBondContact O-CG1 3.31Å; I236-D239 PolarHBondContact O-N 2.85Å; I236-L240 PolarHBondContact O-N 3.24Å; I236-L247 HydrophobicContact CG2-CD1 3.69Å; I236-L247 HydrophobicContact CG2-CD2 3.83Å; I236-L247 HydrophobicContact CG2-CG 4.44Å; I236-F324 HydrophobicContact CD1-CD1 3.57Å; I236-F324 HydrophobicContact CD1-CE1 3.55Å; I236-F324 HydrophobicContact CG1-CD1 4.35Å; I236-F324 HydrophobicContact CG1-CE1 4.05Å; I236-F324 HydrophobicContact CG2-CD1 4.07Å; I236-F324 HydrophobicContact CG2-CE1 4.29Å; I236-K325 HydrophobicContact CD1-CB 3.74Å; I236-K325 HydrophobicContact CD1-CD 3.35Å; I236-K325 HydrophobicContact CD1-CG 3.42Å; I236-K325 VanDerWaalsContact CD1-CG 3.42Å; I236-K325 HydrophobicContact CG1-CD 4.35Å; I236-L327 HydrophobicContact CG2-CD1 3.34Å; I236-L327 HydrophobicContact CG2-CG 4.04Å
237	A	62.5	Low	73.4	Confident	38 Å²	38	66.7 Å²	66.7	31%	0.314	36%	0.357	S	S	.	.	H	α-helix	trans	-66.9	-37.9	-177.7	0	0	0	0	0	112.5	R235 L240	R235-A237 VanDerWaalsContact C-N 3.31Å; R235-A237 PolarHBondContact O-N 2.87Å; A237-L240 PolarHBondContact O-N 3.37Å
238	D	63.7	Low	73.6	Confident	27 Å²	27	62.6 Å²	62.6	14%	0.144	33%	0.328	C	S	.	.	H	α-helix	trans	-70.1	-39	175.9	-60.6	-22.1	0	0	0	110.2	R98 R235 L240 D241 L242	R98-D238 IonicContact CZ-OD1 2.8Å; R98-D238 VanDerWaalsContact NH1-CG 3.32Å; R98-D238 IonicContact NH1-OD1 3.77Å; R98-D238 PolarHBondContact NH1-OD1 3.1Å; R98-D238 IonicContact NH1-OD2 2.83Å; R98-D238 PolarHBondContact NH1-OD2 3.24Å; R235-D238 PolarHBondContact O-N 3.33Å; D238-L240 VanDerWaalsContact C-N 3.27Å; D238-L240 PolarHBondContact O-N 3.41Å; D238-D241 PolarHBondContact O-N 3.19Å; D238-L242 WeakPolarHBondContact O-CG 3.42Å; D238-L242 PolarHBondContact O-N 2.85Å
239	D	62.5	Low	74.2	Confident	61 Å²	61	61.8 Å²	61.8	33%	0.326	33%	0.326	S	S	.	.	H	α-helix	trans	-64.9	-29.8	177.7	-66.4	-27.7	0	0	0	112.4	R235 I236 L242 D243	R235-D239 PolarHBondContact O-N 2.85Å; I236-D239 PolarHBondContact O-N 2.85Å; D239-L242 PolarHBondContact O-N 2.66Å; D239-D243 CarbonylContact O-C 3.58Å; D239-D243 PolarHBondContact O-N 3.33Å
240	L	66.3	Low	74.7	Confident	10 Å²	10	59 Å²	59	5%	0.052	31%	0.306	C	S	.	.	H	α-helix	trans	-67.5	-39	179.7	-178.9	65.6	0	0	0	112.8	I236 A237 D238 L242 P244 L247 L327 P467 P469	I236-L240 PolarHBondContact O-N 3.24Å; A237-L240 PolarHBondContact O-N 3.37Å; D238-L240 VanDerWaalsContact C-N 3.27Å; D238-L240 PolarHBondContact O-N 3.41Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L240-P244 HydrophobicContact CD1-CB 4.01Å; L240-P244 WeakPolarHBondContact O-CD 3.29Å; L240-L247 HydrophobicContact CB-CD2 3.83Å; L240-L247 HydrophobicContact CD1-CD2 3.53Å; L240-L247 HydrophobicContact CG-CD2 4.2Å; L240-L327 HydrophobicContact CD2-CD1 3.99Å; L240-L327 HydrophobicContact CD2-CD2 4.02Å; L240-P467 HydrophobicContact CD1-CB 4.25Å; L240-P467 HydrophobicContact CD1-CG 3.85Å; L240-P469 VanDerWaalsContact CD2-CA 3.49Å; L240-P469 HydrophobicContact CD2-CB 3.96Å; L240-P469 HydrophobicContact CG-CB 4.47Å
241	D	67.8	Low	75.4	Confident	56 Å²	56	53 Å²	53	30%	0.299	28%	0.283	S	S	.	.	H	α-helix	trans	-72.2	-31.7	176.4	-68.1	-25.4	0	0	0	111.5	R94 T95 D238	R94-D241 WeakPolarHBondContact CB-OD2 3.32Å; R94-D241 WeakPolarHBondContact CD-OD2 3.28Å; R94-D241 WeakPolarHBondContact CG-OD2 3.47Å; T95-D241 HydrophobicContact CG2-CB 3.66Å; T95-D241 WeakPolarHBondContact CG2-OD2 3.5Å; T95-D241 PolarHBondContact N-OD2 3.13Å; D238-D241 PolarHBondContact O-N 3.19Å
242	L	72.2	Confident	76.4	Confident	128 Å²	128	48.6 Å²	48.6	67%	0.67	26%	0.255	S	S	*	.	H	α-helix	trans	-79.3	-49.1	-177.5	-67.9	171.6	0	0	0	112.4	D238 D239 L240	D238-L242 WeakPolarHBondContact O-CG 3.42Å; D238-L242 PolarHBondContact O-N 2.85Å; D239-L242 PolarHBondContact O-N 2.66Å; L240-L242 VanDerWaalsContact C-N 3.34Å
243	D	78.9	Confident	77.2	Confident	69 Å²	69	49.9 Å²	49.9	37%	0.369	26%	0.26	S	S	.	.			trans	-152.1	86.3	-177.6	-170.4	-9.2	0	0	0	111.5	D239 I245 K246 L247	D239-D243 CarbonylContact O-C 3.58Å; D239-D243 PolarHBondContact O-N 3.33Å; D243-I245 PolarHBondContact O-N 3.29Å; D243-I245 PolarHBondContact OD1-N 3.29Å; D243-K246 HydrophobicContact CB-CB 3.99Å; D243-K246 PolarHBondContact O-N 3.19Å; D243-K246 PolarHBondContact OD1-N 3.18Å; D243-K246 WeakPolarHBondContact OD2-CB 3.23Å; D243-L247 PolarHBondContact O-N 3.23Å
244	P	81.2	Confident	78	Confident	46 Å²	46	52 Å²	52	30%	0.299	26%	0.263	S	S	.	.	H	α-helix	trans	-66.8	-25.3	-179	28.5	-36.1	0	0	0	112.4	L240 L247 G248 V466	L240-P244 HydrophobicContact CD1-CB 4.01Å; L240-P244 WeakPolarHBondContact O-CD 3.29Å; P244-L247 PolarHBondContact O-N 3.23Å; P244-G248 PolarHBondContact O-N 3.26Å; P244-V466 HydrophobicContact CB-CG1 3.68Å; P244-V466 HydrophobicContact CG-CG1 4.46Å; P244-V466 WeakPolarHBondContact O-CG1 3.49Å
245	I	87	Confident	79	Confident	39 Å²	39	48.5 Å²	48.5	20%	0.2	24%	0.244	C	C	.	.	H	α-helix	trans	-70.3	-48.5	178.9	-63.4	167.2	0	0	0	109.7	D243 L247 G248 C249 V265 Q267 I280	D243-I245 PolarHBondContact O-N 3.29Å; D243-I245 PolarHBondContact OD1-N 3.29Å; I245-L247 PolarHBondContact O-N 3.21Å; I245-G248 CarbonylContact O-C 3.46Å; I245-G248 WeakPolarHBondContact O-CA 3.19Å; I245-G248 PolarHBondContact O-N 3.3Å; I245-G248 VanDerWaalsContact O-N 3.07Å; I245-C249 PolarHBondContact O-N 3.49Å; I245-C249 PolarHBondContact O-SG 2.93Å; I245-C249 VanDerWaalsContact O-SG 3.41Å; I245-V265 HydrophobicContact CG2-CB 4.5Å; I245-V265 HydrophobicContact CG2-CG1 3.93Å; I245-V265 HydrophobicContact CG2-CG2 3.68Å; I245-Q267 VanDerWaalsContact CD1-NE2 3.27Å; I245-I280 WeakPolarHBondContact O-CD1 3.24Å
246	K	85.7	Confident	80	Confident	129 Å²	129	44.1 Å²	44.1	56%	0.561	23%	0.229	S	C	*	.	H	α-helix	trans	-57.3	-39.9	175.5	177	-179.1	-179.1	-174.3	0	111.8	D243 C249 L250	D243-K246 HydrophobicContact CB-CB 3.99Å; D243-K246 PolarHBondContact O-N 3.19Å; D243-K246 PolarHBondContact OD1-N 3.18Å; D243-K246 WeakPolarHBondContact OD2-CB 3.23Å; K246-C249 WeakPolarHBondContact O-CB 3.33Å; K246-C249 PolarHBondContact O-N 3.27Å; K246-L250 WeakPolarHBondContact O-CG 3.32Å; K246-L250 PolarHBondContact O-N 3.4Å
247	L	84.9	Confident	80.9	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-43.4	175.1	177.5	58	0	0	0	112.1	I236 L240 D243 P244 I245 C249 L250 I251 F324 L327 P467	I236-L247 HydrophobicContact CG2-CD1 3.69Å; I236-L247 HydrophobicContact CG2-CD2 3.83Å; I236-L247 HydrophobicContact CG2-CG 4.44Å; L240-L247 HydrophobicContact CB-CD2 3.83Å; L240-L247 HydrophobicContact CD1-CD2 3.53Å; L240-L247 HydrophobicContact CG-CD2 4.2Å; D243-L247 PolarHBondContact O-N 3.23Å; P244-L247 PolarHBondContact O-N 3.23Å; I245-L247 PolarHBondContact O-N 3.21Å; L247-C249 PolarHBondContact O-N 3.5Å; L247-L250 WeakPolarHBondContact O-CB 3.47Å; L247-L250 PolarHBondContact O-N 3.44Å; L247-I251 HydrophobicContact CG-CD1 4.4Å; L247-I251 WeakPolarHBondContact O-CG1 3.27Å; L247-I251 PolarHBondContact O-N 2.93Å; L247-F324 HydrophobicContact CD1-CD1 3.79Å; L247-F324 HydrophobicContact CD1-CE1 3.6Å; L247-L327 HydrophobicContact CD2-CD1 3.42Å; L247-L327 VanDerWaalsContact CD2-CD1 3.42Å; L247-P467 HydrophobicContact CD2-CG 3.95Å; L247-P467 HydrophobicContact CG-CG 4.11Å
248	G	87.5	Confident	82	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-36.4	171.7	0	0	0	0	0	112.5	P244 I245 I251 A252	P244-G248 PolarHBondContact O-N 3.26Å; I245-G248 CarbonylContact O-C 3.46Å; I245-G248 WeakPolarHBondContact O-CA 3.19Å; I245-G248 PolarHBondContact O-N 3.3Å; I245-G248 VanDerWaalsContact O-N 3.07Å; G248-I251 PolarHBondContact O-N 2.93Å; G248-A252 PolarHBondContact O-N 3.5Å
249	C	89.8	Confident	82.9	Confident	33 Å²	33	53.9 Å²	53.9	22%	0.223	27%	0.268	C	S	.	.	H	α-helix	trans	-67.7	-40.1	177.6	-70.5	0	0	0	0	111	I245 K246 L247 I251 A252 E253 I280	I245-C249 PolarHBondContact O-N 3.49Å; I245-C249 PolarHBondContact O-SG 2.93Å; I245-C249 VanDerWaalsContact O-SG 3.41Å; K246-C249 WeakPolarHBondContact O-CB 3.33Å; K246-C249 PolarHBondContact O-N 3.27Å; L247-C249 PolarHBondContact O-N 3.5Å; C249-I251 VanDerWaalsContact C-N 3.3Å; C249-I251 PolarHBondContact O-N 2.86Å; C249-A252 PolarHBondContact O-N 3.49Å; C249-E253 WeakPolarHBondContact O-CB 3.46Å; C249-E253 PolarHBondContact O-N 2.94Å; C249-I280 VanDerWaalsContact N-CD1 3.31Å
250	L	87.8	Confident	84	Confident	47 Å²	47	51.5 Å²	51.5	25%	0.246	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-35.5	174.2	-69.3	170.9	0	0	0	112.3	P233 K246 L247 R254 F324	P233-L250 HydrophobicContact CG-CD1 3.79Å; K246-L250 WeakPolarHBondContact O-CG 3.32Å; K246-L250 PolarHBondContact O-N 3.4Å; L247-L250 WeakPolarHBondContact O-CB 3.47Å; L247-L250 PolarHBondContact O-N 3.44Å; L250-R254 WeakPolarHBondContact O-CB 3.47Å; L250-R254 PolarHBondContact O-N 3.44Å; L250-F324 HydrophobicContact CB-CZ 4.18Å
251	I	89.5	Confident	85.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.5	-45.2	173.4	-65	170.4	0	0	0	109.9	L247 G248 C249 R254 I255 V322 F324 A329 V464 P467	L247-I251 HydrophobicContact CG-CD1 4.4Å; L247-I251 WeakPolarHBondContact O-CG1 3.27Å; L247-I251 PolarHBondContact O-N 2.93Å; G248-I251 PolarHBondContact O-N 2.93Å; C249-I251 VanDerWaalsContact C-N 3.3Å; C249-I251 PolarHBondContact O-N 2.86Å; I251-R254 WeakPolarHBondContact O-CB 3.42Å; I251-R254 PolarHBondContact O-N 2.69Å; I251-R254 VanDerWaalsContact O-N 3.11Å; I251-I255 HydrophobicContact CG2-CD1 4.25Å; I251-I255 WeakPolarHBondContact O-CG1 3.32Å; I251-I255 PolarHBondContact O-N 3.02Å; I251-V322 HydrophobicContact CG2-CG1 3.52Å; I251-F324 HydrophobicContact CD1-CB 4.08Å; I251-F324 HydrophobicContact CD1-CG 4.3Å; I251-F324 HydrophobicContact CG1-CB 3.89Å; I251-F324 HydrophobicContact CG1-CD1 4.15Å; I251-F324 HydrophobicContact CG1-CD2 3.78Å; I251-F324 HydrophobicContact CG1-CE2 4.29Å; I251-F324 HydrophobicContact CG1-CG 3.69Å; I251-A329 HydrophobicContact CD1-CB 3.74Å; I251-A329 HydrophobicContact CG2-CB 4.29Å; I251-V464 HydrophobicContact CB-CG1 4.24Å; I251-V464 HydrophobicContact CG2-CG1 3.77Å; I251-P467 HydrophobicContact CD1-CG 3.95Å
252	A	92	Very high	86.3	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-43.3	176.8	0	0	0	0	0	112.1	G248 C249 R254 I255 C256 F263 I280 A282 V464	G248-A252 PolarHBondContact O-N 3.5Å; C249-A252 PolarHBondContact O-N 3.49Å; A252-R254 PolarHBondContact O-N 3.27Å; A252-I255 PolarHBondContact O-N 3.22Å; A252-C256 WeakPolarHBondContact O-CB 3.19Å; A252-C256 PolarHBondContact O-N 3.38Å; A252-F263 HydrophobicContact CB-CD1 3.78Å; A252-F263 HydrophobicContact CB-CE1 3.62Å; A252-I280 HydrophobicContact CB-CG2 3.99Å; A252-A282 HydrophobicContact CB-CB 4.33Å; A252-V464 HydrophobicContact CB-CB 4.35Å; A252-V464 HydrophobicContact CB-CG2 3.84Å
253	E	89.3	Confident	87.3	Confident	79 Å²	79	50 Å²	50	37%	0.369	24%	0.242	S	C	.	.	H	α-helix	trans	-61.7	-31.1	173.5	-172.2	-179.8	-173.5	0	0	112	C249 C256 F263	C249-E253 WeakPolarHBondContact O-CB 3.46Å; C249-E253 PolarHBondContact O-N 2.94Å; E253-C256 CarbonylContact O-C 3.59Å; E253-C256 VanDerWaalsContact O-C 3.25Å; E253-C256 VanDerWaalsContact O-O 3.04Å; E253-F263 HydrophobicContact CB-CE2 4.43Å; E253-F263 HydrophobicContact CB-CZ 3.96Å; E253-F263 HydrophobicContact CG-CZ 4.44Å
254	R	87.6	Confident	87.9	Confident	87 Å²	87	48.6 Å²	48.6	33%	0.328	24%	0.237	S	C	.	.	H	α-helix	trans	-73	-37.8	176.4	-170.1	66.8	-175.5	109.4	-7.6	112.8	L250 I251 A252 F324	L250-R254 WeakPolarHBondContact O-CB 3.47Å; L250-R254 PolarHBondContact O-N 3.44Å; I251-R254 WeakPolarHBondContact O-CB 3.42Å; I251-R254 PolarHBondContact O-N 2.69Å; I251-R254 VanDerWaalsContact O-N 3.11Å; A252-R254 PolarHBondContact O-N 3.27Å; R254-F324 HydrophobicContact CB-CE2 4.4Å
255	I	89.7	Confident	88.5	Confident	49 Å²	49	49.4 Å²	49.4	25%	0.251	24%	0.241	S	C	.	.	H	α-helix	trans	-72.6	-41.3	175.7	-61.8	170.3	0	0	0	110.2	I251 A252 P257 V322 Y331 V462 V464	I251-I255 HydrophobicContact CG2-CD1 4.25Å; I251-I255 WeakPolarHBondContact O-CG1 3.32Å; I251-I255 PolarHBondContact O-N 3.02Å; A252-I255 PolarHBondContact O-N 3.22Å; I255-P257 WeakPolarHBondContact O-CD 3.43Å; I255-V322 HydrophobicContact CD1-CB 4.42Å; I255-V322 HydrophobicContact CD1-CG1 4.16Å; I255-V322 HydrophobicContact CG1-CG2 4.36Å; I255-Y331 HydrophobicContact CD1-CD1 4.09Å; I255-Y331 HydrophobicContact CD1-CD2 4.35Å; I255-Y331 HydrophobicContact CD1-CG 3.93Å; I255-V462 HydrophobicContact CG2-CG1 4.14Å; I255-V462 HydrophobicContact CG2-CG2 4.48Å; I255-V464 HydrophobicContact CD1-CG2 3.74Å
256	C	89.3	Confident	88.7	Confident	13 Å²	13	48 Å²	48	9%	0.088	23%	0.234	C	C	.	.			trans	-109.3	83.9	-178.7	-60.7	0	0	0	0	110.2	A252 E253 D258 T261	A252-C256 WeakPolarHBondContact O-CB 3.19Å; A252-C256 PolarHBondContact O-N 3.38Å; E253-C256 CarbonylContact O-C 3.59Å; E253-C256 VanDerWaalsContact O-C 3.25Å; E253-C256 VanDerWaalsContact O-O 3.04Å; C256-D258 PolarHBondContact O-N 3.38Å; C256-D258 VanDerWaalsContact O-N 3.11Å; C256-T261 HydrophobicContact CB-CG2 3.95Å
257	P	83.7	Confident	88.8	Confident	75 Å²	75	46.3 Å²	46.3	49%	0.487	23%	0.228	S	C	.	.			trans	-70.1	-7	-175.9	29.9	-37.6	0	0	0	114.1	W230 I255 R259	W230-P257 HydrophobicContact CZ2-CB 4.39Å; I255-P257 WeakPolarHBondContact O-CD 3.43Å; P257-R259 PolarHBondContact O-N 3.23Å
258	D	85.2	Confident	88.7	Confident	43 Å²	43	48.5 Å²	48.5	23%	0.23	24%	0.239	C	C	.	.			trans	-70.2	120.3	177.8	180	21	0	0	0	110.5	C256 M260 T261 S284 R437	C256-D258 PolarHBondContact O-N 3.38Å; C256-D258 VanDerWaalsContact O-N 3.11Å; D258-M260 PolarHBondContact O-N 3.03Å; D258-M260 PolarHBondContact OD1-N 2.87Å; D258-M260 VanDerWaalsContact OD1-N 3.12Å; D258-T261 WeakPolarHBondContact O-CB 3.42Å; D258-T261 PolarHBondContact O-N 2.84Å; D258-T261 PolarHBondContact O-OG1 2.98Å; D258-S284 WeakPolarHBondContact OD2-CB 3.4Å; D258-R437 IonicContact OD1-NH2 2.68Å; D258-R437 PolarHBondContact OD1-NH2 2.85Å; D258-R437 VanDerWaalsContact OD1-NH2 3.13Å
259	R	82.5	Confident	88	Confident	165 Å²	165	54 Å²	54	62%	0.623	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.5	178.5	-65	-69.1	-168.6	141.7	4.3	113.7	P257 T261 L434	P257-R259 PolarHBondContact O-N 3.23Å; R259-T261 VanDerWaalsContact C-N 3.29Å; R259-L434 HydrophobicContact CB-CD2 3.93Å
260	M	86	Confident	86.3	Confident	10 Å²	10	56.6 Å²	56.6	5%	0.049	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-7	173.7	-63.7	-65	-60.4	0	0	112.7	D258 E262 P285 L434 R437 Q438	D258-M260 PolarHBondContact O-N 3.03Å; D258-M260 PolarHBondContact OD1-N 2.87Å; D258-M260 VanDerWaalsContact OD1-N 3.12Å; M260-E262 PolarHBondContact O-N 3.33Å; M260-P285 HydrophobicContact CB-CG 4.41Å; M260-P285 HydrophobicContact CE-CG 4.15Å; M260-P285 WeakPolarHBondContact O-CD 3.49Å; M260-L434 HydrophobicContact SD-CD2 3.95Å; M260-R437 HydrophobicContact CE-CB 3.74Å; M260-R437 HydrophobicContact CG-CB 4.35Å; M260-R437 HydrophobicContact SD-CB 3.68Å; M260-Q438 HydrophobicContact CE-CB 4.31Å; M260-Q438 HydrophobicContact CE-CG 3.57Å; M260-Q438 HydrophobicContact SD-CG 4.16Å
261	T	90.5	Very high	84.6	Confident	11 Å²	11	59 Å²	59	7%	0.067	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-62	122.8	178.1	-52.4	0	0	0	0	109.6	C256 D258 R259 F263 A282	C256-T261 HydrophobicContact CB-CG2 3.95Å; D258-T261 WeakPolarHBondContact O-CB 3.42Å; D258-T261 PolarHBondContact O-N 2.84Å; D258-T261 PolarHBondContact O-OG1 2.98Å; R259-T261 VanDerWaalsContact C-N 3.29Å; T261-F263 HydrophobicContact CG2-CD1 4.34Å; T261-F263 HydrophobicContact CG2-CE1 3.76Å; T261-F263 HydrophobicContact CG2-CE2 4.4Å; T261-F263 HydrophobicContact CG2-CZ 3.78Å; T261-A282 HydrophobicContact CG2-CB 3.85Å
262	E	91.1	Very high	82.6	Confident	81 Å²	81	66.2 Å²	66.2	38%	0.379	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.1	172.6	-69.6	172.7	-163.8	0	0	108.4	M260 Q283 R288	M260-E262 PolarHBondContact O-N 3.33Å; E262-Q283 PolarHBondContact N-O 3.26Å; E262-Q283 PolarHBondContact O-N 3.38Å; E262-R288 IonicContact OE1-CZ 3.26Å; E262-R288 IonicContact OE1-NH2 3.98Å; E262-R288 PolarHBondContact OE1-NH2 3.45Å; E262-R288 IonicContact OE2-CZ 2.69Å; E262-R288 IonicContact OE2-NH2 2.62Å; E262-R288 PolarHBondContact OE2-NH2 3.38Å
263	F	93.5	Very high	80.5	Confident	70 Å²	70	72.1 Å²	72.1	31%	0.307	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.7	176.3	-57.5	-76.4	0	0	0	109.6	A252 E253 T261 I280 S281 A282	A252-F263 HydrophobicContact CB-CD1 3.78Å; A252-F263 HydrophobicContact CB-CE1 3.62Å; E253-F263 HydrophobicContact CB-CE2 4.43Å; E253-F263 HydrophobicContact CB-CZ 3.96Å; E253-F263 HydrophobicContact CG-CZ 4.44Å; T261-F263 HydrophobicContact CG2-CD1 4.34Å; T261-F263 HydrophobicContact CG2-CE1 3.76Å; T261-F263 HydrophobicContact CG2-CE2 4.4Å; T261-F263 HydrophobicContact CG2-CZ 3.78Å; F263-I280 HydrophobicContact CB-CG2 4.37Å; F263-I280 HydrophobicContact CD1-CG2 4.3Å; F263-S281 CarbonylContact C-O 3.46Å; F263-S281 VanDerWaalsContact CA-O 3.31Å; F263-S281 WeakPolarHBondContact CA-O 3.49Å; F263-A282 HydrophobicContact CD1-CB 3.81Å; F263-A282 HydrophobicContact CE1-CB 3.74Å
264	T	92.9	Very high	78.7	Confident	40 Å²	40	75.9 Å²	75.9	25%	0.245	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.8	173.3	40.6	0	0	0	0	110.9	I280 S281 E524 K528	T264-I280 WeakPolarHBondContact O-CA 3.45Å; T264-S281 PolarHBondContact N-O 3.26Å; T264-S281 PolarHBondContact O-N 2.99Å; T264-S281 WeakPolarHBondContact OG1-CB 3.46Å; T264-E524 VanDerWaalsContact CB-OE1 3.28Å; T264-E524 WeakPolarHBondContact CB-OE1 3.46Å; T264-E524 PolarHBondContact OG1-OE1 2.89Å; T264-E524 PolarHBondContact OG1-OE2 3.14Å; T264-K528 PolarHBondContact OG1-NZ 3.01Å
265	V	92.7	Very high	76.9	Confident	63 Å²	63	75.8 Å²	75.8	38%	0.382	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.7	-178.5	-171.6	0	0	0	0	108.6	I245 Q267 I280	I245-V265 HydrophobicContact CG2-CB 4.5Å; I245-V265 HydrophobicContact CG2-CG1 3.93Å; I245-V265 HydrophobicContact CG2-CG2 3.68Å; V265-Q267 HydrophobicContact CG1-CG 3.79Å; V265-I280 HydrophobicContact CG2-CG1 4.48Å
266	V	91.2	Very high	75.3	Confident	11 Å²	11	79.4 Å²	79.4	7%	0.067	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.6	176	-177.8	0	0	0	0	107.8	S278 L279 L517 L520 W521 E524	V266-S278 CarbonylContact O-C 3.17Å; V266-S278 WeakPolarHBondContact O-CA 3.13Å; V266-L279 WeakPolarHBondContact CA-O 3.44Å; V266-L279 WeakPolarHBondContact CB-O 3.46Å; V266-L279 PolarHBondContact N-O 3.47Å; V266-L279 PolarHBondContact O-N 3.33Å; V266-L517 HydrophobicContact CG1-CD1 4.3Å; V266-L520 HydrophobicContact CG1-CB 3.62Å; V266-W521 HydrophobicContact CG1-CB 4.5Å; V266-W521 HydrophobicContact CG2-CB 4.49Å; V266-E524 HydrophobicContact CG2-CB 4.03Å; V266-E524 HydrophobicContact CG2-CG 4.09Å
267	Q	88.7	Confident	74.7	Confident	93 Å²	93	81.4 Å²	81.4	44%	0.435	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.2	-176.6	-57.9	-173.7	-17.4	0	0	110.8	I245 V265	I245-Q267 VanDerWaalsContact CD1-NE2 3.27Å; V265-Q267 HydrophobicContact CG1-CG 3.79Å
268	M	82.9	Confident	74.9	Confident	48 Å²	48	77.9 Å²	77.9	24%	0.236	42%	0.422	C	S	.	.			trans	-72.7	128.9	172.5	-163.7	62.7	52.6	0	0	110.4	S270 T516 L517 L520	M268-S270 PolarHBondContact O-N 3.24Å; M268-T516 WeakPolarHBondContact CE-OG1 3.4Å; M268-L517 HydrophobicContact CE-CB 3.76Å; M268-L517 HydrophobicContact CE-CD1 4.18Å; M268-L520 HydrophobicContact CE-CD1 3.66Å; M268-L520 HydrophobicContact SD-CD1 3.65Å
269	P	71.3	Confident	75.2	Confident	117 Å²	117	75.9 Å²	75.9	76%	0.76	41%	0.411	S	S	*	.	S	Bend	trans	-73.7	-4.6	-177.7	26.1	-32.8	0	0	0	115.1
270	S	55.1	Low	75.7	Confident	87 Å²	87	68 Å²	68	61%	0.608	38%	0.382	S	S	*	.			trans	-156	112.2	-176.7	52.7	0	0	0	0	114.2	M268	M268-S270 PolarHBondContact O-N 3.24Å
271	S	52.2	Low	76.1	Confident	98 Å²	98	67.5 Å²	67.5	69%	0.685	38%	0.379	S	S	*	.				177.1	122.6	126.7	46.2	0	0	0	0	111.4
272	N	47.3	Very low	76.3	Confident	150 Å²	150	67 Å²	67	80%	0.802	38%	0.376	S	S	*	.			trans	28.2	116.2	148.2	-55	-25.4	0	0	0	118.9	D274	N272-D274 PolarHBondContact O-N 2.91Å; N272-D274 VanDerWaalsContact O-N 3.16Å
273	S	48.2	Very low	76.4	Confident	124 Å²	124	63.2 Å²	63.2	87%	0.867	36%	0.359	S	S	*	.	S	Bend	trans	11.7	87.7	150.4	59.1	0	0	0	0	115.9
274	D	50.9	Low	76.3	Confident	158 Å²	158	60.2 Å²	60.2	85%	0.845	35%	0.346	S	S	*	.	S	Bend		159.4	0	122.6	-132.3	9.1	0	0	0	112.7	N272	N272-D274 PolarHBondContact O-N 2.91Å; N272-D274 VanDerWaalsContact O-N 3.16Å
275	R	51	Low	76	Confident	85 Å²	85	59.1 Å²	59.1	32%	0.321	34%	0.34	S	S	.	.			trans	-153	108.7	179.8	-118.9	168.4	-165.2	175	3.3	113.9	D277 P469 Q508	R275-D277 PolarHBondContact O-N 3.4Å; R275-P469 PolarHBondContact NH2-O 2.94Å; R275-Q508 VanDerWaalsContact NH1-OE1 3.14Å
276	L	54.5	Low	75.7	Confident	126 Å²	126	58.1 Å²	58.1	66%	0.66	33%	0.331	S	S	*	.			trans	-77.3	97.3	172.4	-67.6	162.7	0	0	0	109.5	S278	L276-S278 PolarHBondContact O-N 3.32Å; L276-S278 PolarHBondContact O-OG 3.01Å
277	D	77.1	Confident	75.6	Confident	54 Å²	54	59 Å²	59	29%	0.289	33%	0.334	S	S	.	.			trans	-67.5	100.3	166.8	-76.9	-19.1	0	0	0	108.3	R275 K468 L517	R275-D277 PolarHBondContact O-N 3.4Å; D277-K468 WeakPolarHBondContact OD1-CE 3.3Å; D277-K468 IonicContact OD1-NZ 3.65Å; D277-K468 PolarHBondContact OD1-NZ 3.37Å; D277-L517 HydrophobicContact CB-CD2 4.45Å
278	S	87.6	Confident	75.6	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.014	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.4	-179.1	-54.1	0	0	0	0	110.1	V266 L276 V466	V266-S278 CarbonylContact O-C 3.17Å; V266-S278 WeakPolarHBondContact O-CA 3.13Å; L276-S278 PolarHBondContact O-N 3.32Å; L276-S278 PolarHBondContact O-OG 3.01Å; S278-V466 WeakPolarHBondContact O-CB 2.91Å; S278-V466 WeakPolarHBondContact O-CG2 3.29Å; S278-V466 PolarHBondContact O-N 2.86Å
279	L	91.7	Very high	75.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.2	176.6	179.8	154.1	0	0	0	109.1	V266 Y332 V464 V465 L517 W521	V266-L279 WeakPolarHBondContact CA-O 3.44Å; V266-L279 WeakPolarHBondContact CB-O 3.46Å; V266-L279 PolarHBondContact N-O 3.47Å; V266-L279 PolarHBondContact O-N 3.33Å; L279-Y332 HydrophobicContact CD1-CD2 4.47Å; L279-V464 CarbonylContact C-O 3.59Å; L279-V464 WeakPolarHBondContact CA-O 3.4Å; L279-V465 HydrophobicContact CD1-CG2 4.37Å; L279-L517 HydrophobicContact CB-CD1 4.13Å; L279-L517 HydrophobicContact CB-CD2 3.87Å; L279-L517 HydrophobicContact CB-CG 3.9Å; L279-W521 HydrophobicContact CD1-CB 4.4Å; L279-W521 HydrophobicContact CD1-CD2 4.41Å; L279-W521 HydrophobicContact CD1-CE3 4.39Å; L279-W521 HydrophobicContact CD1-CG 4.42Å; L279-W521 HydrophobicContact CD2-CB 3.8Å; L279-W521 HydrophobicContact CD2-CD2 3.8Å; L279-W521 HydrophobicContact CD2-CG 3.4Å
280	I	93.5	Very high	76.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	113.5	-179.2	-64.9	152.2	0	0	0	108.1	I245 C249 A252 F263 T264 V265 G463 V464 V466	I245-I280 WeakPolarHBondContact O-CD1 3.24Å; C249-I280 VanDerWaalsContact N-CD1 3.31Å; A252-I280 HydrophobicContact CB-CG2 3.99Å; F263-I280 HydrophobicContact CB-CG2 4.37Å; F263-I280 HydrophobicContact CD1-CG2 4.3Å; T264-I280 WeakPolarHBondContact O-CA 3.45Å; V265-I280 HydrophobicContact CG2-CG1 4.48Å; I280-G463 CarbonylContact O-C 3.5Å; I280-G463 WeakPolarHBondContact O-CA 3.34Å; I280-V464 PolarHBondContact N-O 3.03Å; I280-V464 PolarHBondContact O-N 3.39Å; I280-V466 HydrophobicContact CD1-CG2 3.76Å; I280-V466 HydrophobicContact CG1-CG2 4.29Å
281	S	95	Very high	78.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.8	175.4	-173.4	0	0	0	0	108.3	F263 T264 W521 E524 L525	F263-S281 CarbonylContact C-O 3.46Å; F263-S281 VanDerWaalsContact CA-O 3.31Å; F263-S281 WeakPolarHBondContact CA-O 3.49Å; T264-S281 PolarHBondContact N-O 3.26Å; T264-S281 PolarHBondContact O-N 2.99Å; T264-S281 WeakPolarHBondContact OG1-CB 3.46Å; S281-W521 VanDerWaalsContact CB-CD1 3.48Å; S281-W521 VanDerWaalsContact CB-NE1 3.32Å; S281-W521 PolarHBondContact OG-NE1 3.4Å; S281-E524 VanDerWaalsContact CB-OE2 3.3Å; S281-E524 WeakPolarHBondContact CB-OE2 3.45Å; S281-E524 PolarHBondContact OG-OE2 3.34Å; S281-L525 WeakPolarHBondContact OG-CD2 3.41Å
282	A	94.9	Very high	79.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	114.5	176.9	0	0	0	0	0	108.4	A252 T261 F263 V462	A252-A282 HydrophobicContact CB-CB 4.33Å; T261-A282 HydrophobicContact CG2-CB 3.85Å; F263-A282 HydrophobicContact CD1-CB 3.81Å; F263-A282 HydrophobicContact CE1-CB 3.74Å; A282-V462 HydrophobicContact CB-CB 4.4Å; A282-V462 PolarHBondContact N-O 3.13Å; A282-V462 PolarHBondContact O-N 3.12Å
283	Q	92.9	Very high	81.7	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	127.9	177.4	-166.4	177.6	44.1	0	0	111.3	E262 Q287 R288 L460 A461 L525	E262-Q283 PolarHBondContact N-O 3.26Å; E262-Q283 PolarHBondContact O-N 3.38Å; Q283-Q287 HydrophobicContact CG-CB 4.03Å; Q283-R288 HydrophobicContact CG-CG 3.9Å; Q283-L460 PolarHBondContact NE2-O 3.19Å; Q283-A461 HydrophobicContact CG-CB 4.46Å; Q283-L525 HydrophobicContact CB-CD2 4.43Å
284	S	90.4	Very high	83.4	Confident	6 Å²	6	32 Å²	32	4%	0.042	16%	0.162	C	C	.	.			trans	-84.4	154.6	172.9	81.6	0	0	0	0	111.8	D258 E286 Q287 R288	D258-S284 WeakPolarHBondContact OD2-CB 3.4Å; S284-E286 PolarHBondContact O-N 2.71Å; S284-E286 PolarHBondContact OG-N 3.01Å; S284-Q287 WeakPolarHBondContact O-CB 3.46Å; S284-Q287 PolarHBondContact O-N 3.46Å; S284-Q287 VanDerWaalsContact O-N 3.15Å; S284-Q287 WeakPolarHBondContact OG-CG 3.45Å; S284-Q287 PolarHBondContact OG-N 3.35Å; S284-Q287 VanDerWaalsContact OG-N 3.17Å; S284-R288 PolarHBondContact O-N 3.05Å
285	P	87.4	Confident	85	Confident	17 Å²	17	24.6 Å²	24.6	11%	0.11	12%	0.123	C	C	.	.	H	α-helix	trans	-54	-34.9	170.1	-27.5	33.4	0	0	0	113.7	M260 R288 A289 Y442	M260-P285 HydrophobicContact CB-CG 4.41Å; M260-P285 HydrophobicContact CE-CG 4.15Å; M260-P285 WeakPolarHBondContact O-CD 3.49Å; P285-R288 WeakPolarHBondContact O-CB 3.49Å; P285-R288 PolarHBondContact O-N 3.22Å; P285-A289 PolarHBondContact O-N 3.04Å; P285-Y442 HydrophobicContact CB-CD2 4.24Å; P285-Y442 HydrophobicContact CB-CE2 3.39Å
286	E	85	Confident	86.6	Confident	43 Å²	43	23.1 Å²	23.1	20%	0.201	12%	0.121	C	C	.	.	H	α-helix	trans	-65.8	-43	176.5	-174.6	178.6	164.8	0	0	111.3	S284 R288 A289 L290 Y442 P446	S284-E286 PolarHBondContact O-N 2.71Å; S284-E286 PolarHBondContact OG-N 3.01Å; E286-R288 VanDerWaalsContact C-N 3.31Å; E286-R288 PolarHBondContact O-N 3.11Å; E286-A289 WeakPolarHBondContact O-CB 3.4Å; E286-A289 PolarHBondContact O-N 3.12Å; E286-A289 VanDerWaalsContact O-N 3.16Å; E286-L290 HydrophobicContact CG-CD1 4.31Å; E286-L290 WeakPolarHBondContact O-CG 3.3Å; E286-L290 PolarHBondContact O-N 3Å; E286-Y442 HydrophobicContact CB-CE1 4Å; E286-Y442 HydrophobicContact CG-CE1 4.31Å; E286-P446 WeakPolarHBondContact OE1-CG 3.38Å
287	Q	90	Very high	87.8	Confident	28 Å²	28	18.7 Å²	18.7	13%	0.131	10%	0.097	C	C	.	.	H	α-helix	trans	-63.1	-36.6	174.6	-70.3	175.4	-40.5	0	0	112.5	Q283 S284 L290 L291 I459 L460	Q283-Q287 HydrophobicContact CG-CB 4.03Å; S284-Q287 WeakPolarHBondContact O-CB 3.46Å; S284-Q287 PolarHBondContact O-N 3.46Å; S284-Q287 VanDerWaalsContact O-N 3.15Å; S284-Q287 WeakPolarHBondContact OG-CG 3.45Å; S284-Q287 PolarHBondContact OG-N 3.35Å; S284-Q287 VanDerWaalsContact OG-N 3.17Å; Q287-L290 PolarHBondContact O-N 2.69Å; Q287-L291 PolarHBondContact O-N 3.11Å; Q287-I459 PolarHBondContact NE2-O 2.82Å; Q287-L460 WeakPolarHBondContact CB-O 3.44Å
288	R	88.8	Confident	87.6	Confident	62 Å²	62	18.8 Å²	18.8	23%	0.234	10%	0.096	C	C	.	.	H	α-helix	trans	-63.4	-43	172.2	-74	-175.3	-76.4	170.4	-10.4	112	E262 Q283 S284 P285 E286 L291 A292 N529	E262-R288 IonicContact OE1-CZ 3.26Å; E262-R288 IonicContact OE1-NH2 3.98Å; E262-R288 PolarHBondContact OE1-NH2 3.45Å; E262-R288 IonicContact OE2-CZ 2.69Å; E262-R288 IonicContact OE2-NH2 2.62Å; E262-R288 PolarHBondContact OE2-NH2 3.38Å; Q283-R288 HydrophobicContact CG-CG 3.9Å; S284-R288 PolarHBondContact O-N 3.05Å; P285-R288 WeakPolarHBondContact O-CB 3.49Å; P285-R288 PolarHBondContact O-N 3.22Å; E286-R288 VanDerWaalsContact C-N 3.31Å; E286-R288 PolarHBondContact O-N 3.11Å; R288-L291 PolarHBondContact O-N 3.32Å; R288-A292 PolarHBondContact O-N 3.04Å; R288-A292 VanDerWaalsContact O-N 3.07Å; R288-N529 WeakPolarHBondContact CA-ND2 3.42Å; R288-N529 PolarHBondContact O-ND2 2.95Å
289	A	87.2	Confident	86.8	Confident	11 Å²	11	21.1 Å²	21.1	9%	0.091	11%	0.107	C	C	.	.	H	α-helix	trans	-65.4	-38.6	176.7	0	0	0	0	0	112	P285 E286 A292 Y293 L380 Y442 L445	P285-A289 PolarHBondContact O-N 3.04Å; E286-A289 WeakPolarHBondContact O-CB 3.4Å; E286-A289 PolarHBondContact O-N 3.12Å; E286-A289 VanDerWaalsContact O-N 3.16Å; A289-A292 PolarHBondContact O-N 3.11Å; A289-Y293 WeakPolarHBondContact O-CB 3.42Å; A289-Y293 PolarHBondContact O-N 2.62Å; A289-L380 HydrophobicContact CB-CD1 4.47Å; A289-Y442 HydrophobicContact CB-CD1 4.32Å; A289-Y442 HydrophobicContact CB-CG 3.98Å; A289-L445 HydrophobicContact CB-CD2 4.12Å
290	L	87.6	Confident	85.8	Confident	6 Å²	6	24.8 Å²	24.8	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-62.4	-44.3	174.5	-76.2	164.4	0	0	0	111.6	E286 Q287 A292 Y293 C294 R342 L445 T458 L460	E286-L290 HydrophobicContact CG-CD1 4.31Å; E286-L290 WeakPolarHBondContact O-CG 3.3Å; E286-L290 PolarHBondContact O-N 3Å; Q287-L290 PolarHBondContact O-N 2.69Å; L290-A292 PolarHBondContact O-N 2.77Å; L290-Y293 WeakPolarHBondContact O-CB 3.47Å; L290-Y293 PolarHBondContact O-N 2.99Å; L290-C294 PolarHBondContact O-N 3.32Å; L290-C294 PolarHBondContact O-SG 3.05Å; L290-R342 VanDerWaalsContact CD2-NH1 3.3Å; L290-L445 HydrophobicContact CB-CD2 4.49Å; L290-L445 HydrophobicContact CD2-CD1 3.72Å; L290-L445 HydrophobicContact CD2-CD2 3.55Å; L290-L445 HydrophobicContact CD2-CG 4.22Å; L290-L445 HydrophobicContact CG-CD2 3.67Å; L290-T458 HydrophobicContact CB-CG2 4.5Å; L290-T458 HydrophobicContact CD1-CG2 3.81Å; L290-T458 HydrophobicContact CD2-CG2 4.39Å; L290-T458 HydrophobicContact CG-CG2 4.47Å; L290-L460 HydrophobicContact CB-CD2 3.98Å
291	L	88.9	Confident	84.7	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-59.7	-48.3	176	-170.2	155.7	0	0	0	111.2	Q287 R288 Y293 C294 T295 L460 F531 L532	Q287-L291 PolarHBondContact O-N 3.11Å; R288-L291 PolarHBondContact O-N 3.32Å; L291-Y293 VanDerWaalsContact C-N 3.29Å; L291-Y293 PolarHBondContact O-N 3.16Å; L291-C294 PolarHBondContact O-N 3.25Å; L291-T295 HydrophobicContact CD2-CG2 4.32Å; L291-T295 WeakPolarHBondContact O-CG2 3.46Å; L291-T295 PolarHBondContact O-N 2.93Å; L291-T295 PolarHBondContact O-OG1 3.41Å; L291-L460 HydrophobicContact CB-CD1 4.2Å; L291-L460 HydrophobicContact CB-CD2 4.27Å; L291-L460 HydrophobicContact CD1-CD1 4.08Å; L291-L460 HydrophobicContact CG-CD1 4.08Å; L291-F531 HydrophobicContact CD2-CB 3.62Å; L291-L532 HydrophobicContact CD1-CD1 3.79Å; L291-L532 HydrophobicContact CD2-CB 4.48Å
292	A	87.5	Confident	83.4	Confident	14 Å²	14	28.4 Å²	28.4	12%	0.116	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-33.4	177.5	0	0	0	0	0	112.7	R288 A289 L290 T295 N296 F531	R288-A292 PolarHBondContact O-N 3.04Å; R288-A292 VanDerWaalsContact O-N 3.07Å; A289-A292 PolarHBondContact O-N 3.11Å; L290-A292 PolarHBondContact O-N 2.77Å; A292-T295 PolarHBondContact O-OG1 2.92Å; A292-T295 VanDerWaalsContact O-OG1 3.04Å; A292-N296 WeakPolarHBondContact O-CB 3.48Å; A292-N296 VanDerWaalsContact O-CG 3.28Å; A292-N296 PolarHBondContact O-N 3.04Å; A292-N296 VanDerWaalsContact O-N 3.16Å; A292-N296 PolarHBondContact O-ND2 3.28Å; A292-F531 HydrophobicContact CB-CD2 3.45Å; A292-F531 VanDerWaalsContact CB-CD2 3.45Å; A292-F531 HydrophobicContact CB-CE2 3.71Å; A292-F531 HydrophobicContact CB-CG 3.98Å; A292-F531 HydrophobicContact CB-CZ 4.4Å
293	Y	85.7	Confident	82.1	Confident	25 Å²	25	34.5 Å²	34.5	10%	0.098	17%	0.172	C	C	.	.	H	α-helix	trans	-67.5	-49.7	175.4	173.1	-106.3	0	0	0	111.9	A289 L290 L291 T295 N296 K297 D339 I378 L380 L445	A289-Y293 WeakPolarHBondContact O-CB 3.42Å; A289-Y293 PolarHBondContact O-N 2.62Å; L290-Y293 WeakPolarHBondContact O-CB 3.47Å; L290-Y293 PolarHBondContact O-N 2.99Å; L291-Y293 VanDerWaalsContact C-N 3.29Å; L291-Y293 PolarHBondContact O-N 3.16Å; Y293-T295 PolarHBondContact O-N 2.78Å; Y293-N296 PolarHBondContact O-N 3.1Å; Y293-K297 HydrophobicContact CE1-CD 4.06Å; Y293-K297 VanDerWaalsContact O-CB 3.24Å; Y293-K297 WeakPolarHBondContact O-CB 3.15Å; Y293-K297 PolarHBondContact O-N 3.17Å; Y293-D339 WeakPolarHBondContact CE1-OD2 3.49Å; Y293-D339 PolarHBondContact OH-OD2 2.88Å; Y293-I378 HydrophobicContact CD2-CG2 4.33Å; Y293-I378 HydrophobicContact CE2-CG2 3.52Å; Y293-L380 HydrophobicContact CD2-CD2 3.77Å; Y293-L380 HydrophobicContact CG-CD2 4.23Å; Y293-L445 VanDerWaalsContact CB-CD1 3.49Å; Y293-L445 HydrophobicContact CD1-CD1 3.43Å; Y293-L445 VanDerWaalsContact CD1-CD1 3.43Å; Y293-L445 HydrophobicContact CD2-CD1 3.86Å; Y293-L445 HydrophobicContact CE1-CD1 4.08Å; Y293-L445 HydrophobicContact CE2-CD1 4.46Å; Y293-L445 HydrophobicContact CG-CD1 3.29Å
294	C	84.1	Confident	81	Confident	29 Å²	29	39.4 Å²	39.4	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-58.7	-39.4	-178.7	-69.3	0	0	0	0	111.5	L290 L291 Q298	L290-C294 PolarHBondContact O-N 3.32Å; L290-C294 PolarHBondContact O-SG 3.05Å; L291-C294 PolarHBondContact O-N 3.25Å; C294-Q298 PolarHBondContact O-N 2.95Å
295	T	84.2	Confident	79.9	Confident	2 Å²	2	44 Å²	44	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-71	-49.1	178.7	58.5	0	0	0	0	112.5	L291 A292 Y293 K297 Q298 I299 P312 F531 D534 A535	L291-T295 HydrophobicContact CD2-CG2 4.32Å; L291-T295 WeakPolarHBondContact O-CG2 3.46Å; L291-T295 PolarHBondContact O-N 2.93Å; L291-T295 PolarHBondContact O-OG1 3.41Å; A292-T295 PolarHBondContact O-OG1 2.92Å; A292-T295 VanDerWaalsContact O-OG1 3.04Å; Y293-T295 PolarHBondContact O-N 2.78Å; T295-K297 VanDerWaalsContact C-N 3.34Å; T295-K297 PolarHBondContact O-N 2.95Å; T295-Q298 PolarHBondContact O-N 3.49Å; T295-I299 WeakPolarHBondContact O-CD1 3.42Å; T295-I299 VanDerWaalsContact O-CG1 3.28Å; T295-I299 WeakPolarHBondContact O-CG1 3.35Å; T295-I299 PolarHBondContact O-N 3.06Å; T295-I299 VanDerWaalsContact O-N 3.14Å; T295-P312 HydrophobicContact CG2-CG 3.83Å; T295-F531 HydrophobicContact CG2-CB 4.31Å; T295-F531 VanDerWaalsContact CG2-O 3.3Å; T295-F531 WeakPolarHBondContact CG2-O 3.49Å; T295-D534 HydrophobicContact CG2-CB 4.5Å; T295-A535 HydrophobicContact CG2-CB 4.41Å
296	N	84.3	Confident	78.9	Confident	55 Å²	55	50.7 Å²	50.7	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-39.2	178.5	-74.4	-43	0	0	0	112.8	A292 Y293 I299 H300	A292-N296 WeakPolarHBondContact O-CB 3.48Å; A292-N296 VanDerWaalsContact O-CG 3.28Å; A292-N296 PolarHBondContact O-N 3.04Å; A292-N296 VanDerWaalsContact O-N 3.16Å; A292-N296 PolarHBondContact O-ND2 3.28Å; Y293-N296 PolarHBondContact O-N 3.1Å; N296-I299 PolarHBondContact O-N 3.48Å; N296-H300 PolarHBondContact O-CD2 3.41Å; N296-H300 PolarHBondContact O-N 2.91Å
297	K	79.3	Confident	78	Confident	33 Å²	33	53.4 Å²	53.4	14%	0.143	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-45.1	178.3	-176.8	-176.9	-176.3	172.4	0	111.7	Y293 T295 H300 N301 D339 D341	Y293-K297 HydrophobicContact CE1-CD 4.06Å; Y293-K297 VanDerWaalsContact O-CB 3.24Å; Y293-K297 WeakPolarHBondContact O-CB 3.15Å; Y293-K297 PolarHBondContact O-N 3.17Å; T295-K297 VanDerWaalsContact C-N 3.34Å; T295-K297 PolarHBondContact O-N 2.95Å; K297-H300 PolarHBondContact O-N 3.06Å; K297-N301 PolarHBondContact O-N 2.74Å; K297-D339 IonicContact NZ-OD1 3.77Å; K297-D339 PolarHBondContact NZ-OD1 3.27Å; K297-D339 IonicContact NZ-OD2 3.29Å; K297-D339 PolarHBondContact NZ-OD2 3.28Å; K297-D341 WeakPolarHBondContact CE-OD2 3.05Å; K297-D341 IonicContact NZ-OD2 2.9Å; K297-D341 PolarHBondContact NZ-OD2 3.27Å
298	Q	72.6	Confident	76.7	Confident	56 Å²	56	60.5 Å²	60.5	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-65.1	-42.4	179.9	-166.5	69.5	-0.2	0	0	111.1	C294 T295 H300 N301 D302 T310 P312	C294-Q298 PolarHBondContact O-N 2.95Å; T295-Q298 PolarHBondContact O-N 3.49Å; Q298-H300 VanDerWaalsContact C-N 3.3Å; Q298-H300 PolarHBondContact O-N 2.89Å; Q298-N301 PolarHBondContact O-N 2.84Å; Q298-D302 WeakPolarHBondContact O-CB 3.43Å; Q298-D302 VanDerWaalsContact O-CG 3.27Å; Q298-D302 PolarHBondContact O-N 3.1Å; Q298-T310 WeakPolarHBondContact CG-O 3.47Å; Q298-T310 PolarHBondContact NE2-OG1 3.49Å; Q298-P312 HydrophobicContact CB-CB 4.24Å; Q298-P312 HydrophobicContact CG-CB 4.36Å
299	I	71.4	Confident	75.2	Confident	51 Å²	51	61.7 Å²	61.7	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-57.2	-44	174.3	-65.9	164.4	0	0	0	111	T295 N296 Q303	T295-I299 WeakPolarHBondContact O-CD1 3.42Å; T295-I299 VanDerWaalsContact O-CG1 3.28Å; T295-I299 WeakPolarHBondContact O-CG1 3.35Å; T295-I299 PolarHBondContact O-N 3.06Å; T295-I299 VanDerWaalsContact O-N 3.14Å; N296-I299 PolarHBondContact O-N 3.48Å; I299-Q303 VanDerWaalsContact O-CG 3.32Å; I299-Q303 WeakPolarHBondContact O-CG 3.41Å; I299-Q303 PolarHBondContact O-N 3.25Å; I299-Q303 VanDerWaalsContact O-N 3.1Å
300	H	71.6	Confident	74.4	Confident	76 Å²	76	64.5 Å²	64.5	35%	0.352	34%	0.342	S	S	.	.	H	α-helix	trans	-66.5	-43.8	176.4	-79.7	-56.8	0	0	0	112.7	N296 K297 Q298 D302 Q303 T304	N296-H300 PolarHBondContact O-CD2 3.41Å; N296-H300 PolarHBondContact O-N 2.91Å; K297-H300 PolarHBondContact O-N 3.06Å; Q298-H300 VanDerWaalsContact C-N 3.3Å; Q298-H300 PolarHBondContact O-N 2.89Å; H300-D302 VanDerWaalsContact C-N 3.32Å; H300-D302 PolarHBondContact O-N 2.93Å; H300-Q303 PolarHBondContact O-N 3.31Å; H300-T304 WeakPolarHBondContact O-CG2 3.47Å; H300-T304 PolarHBondContact O-N 2.78Å; H300-T304 PolarHBondContact O-OG1 3Å
301	N	70.8	Confident	73.9	Confident	62 Å²	62	69.6 Å²	69.6	33%	0.332	36%	0.364	S	S	.	.	H	α-helix	trans	-60	-43	177	-80	-13	0	0	0	111.5	K297 Q298 T304 N305	K297-N301 PolarHBondContact O-N 2.74Å; Q298-N301 PolarHBondContact O-N 2.84Å; N301-T304 WeakPolarHBondContact CA-OG1 3.4Å; N301-T304 PolarHBondContact O-N 2.84Å; N301-T304 PolarHBondContact O-OG1 3.32Å; N301-N305 WeakPolarHBondContact O-CB 3.21Å; N301-N305 PolarHBondContact O-N 3.1Å; N301-N305 PolarHBondContact O-ND2 3.46Å
302	D	66.4	Low	73.7	Confident	14 Å²	14	70.2 Å²	70.2	8%	0.075	37%	0.368	C	S	.	.	H	α-helix	trans	-63.1	-43.6	177.7	-71.2	-20.3	0	0	0	111.8	Q298 H300 T304 N305 N306 C309 T310	Q298-D302 WeakPolarHBondContact O-CB 3.43Å; Q298-D302 VanDerWaalsContact O-CG 3.27Å; Q298-D302 PolarHBondContact O-N 3.1Å; H300-D302 VanDerWaalsContact C-N 3.32Å; H300-D302 PolarHBondContact O-N 2.93Å; D302-T304 VanDerWaalsContact C-N 3.35Å; D302-T304 PolarHBondContact O-N 3.23Å; D302-N305 PolarHBondContact O-N 3.49Å; D302-N306 PolarHBondContact O-N 3.39Å; D302-C309 WeakPolarHBondContact OD2-CA 3.35Å; D302-C309 PolarHBondContact OD2-SG 3.29Å; D302-T310 PolarHBondContact OD1-OG1 3.38Å; D302-T310 PolarHBondContact OD2-N 3.27Å
303	Q	67.2	Low	73.7	Confident	129 Å²	129	72.1 Å²	72.1	60%	0.603	38%	0.378	S	S	*	.	H	α-helix	trans	-60.7	-41.2	174.8	-74.4	174.7	3.4	0	0	112.5	I299 H300	I299-Q303 VanDerWaalsContact O-CG 3.32Å; I299-Q303 WeakPolarHBondContact O-CG 3.41Å; I299-Q303 PolarHBondContact O-N 3.25Å; I299-Q303 VanDerWaalsContact O-N 3.1Å; H300-Q303 PolarHBondContact O-N 3.31Å
304	T	69.8	Low	74	Confident	104 Å²	104	71.1 Å²	71.1	64%	0.638	38%	0.375	S	S	*	.	H	α-helix	trans	-73	-34.6	-178.9	56.3	0	0	0	0	113.4	H300 N301 D302	H300-T304 WeakPolarHBondContact O-CG2 3.47Å; H300-T304 PolarHBondContact O-N 2.78Å; H300-T304 PolarHBondContact O-OG1 3Å; N301-T304 WeakPolarHBondContact CA-OG1 3.4Å; N301-T304 PolarHBondContact O-N 2.84Å; N301-T304 PolarHBondContact O-OG1 3.32Å; D302-T304 VanDerWaalsContact C-N 3.35Å; D302-T304 PolarHBondContact O-N 3.23Å
305	N	68.6	Low	74.4	Confident	103 Å²	103	71 Å²	71	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-93.2	-0.1	-173.9	-69	-38	0	0	0	113.9	N301 D302 I307	N301-N305 WeakPolarHBondContact O-CB 3.21Å; N301-N305 PolarHBondContact O-N 3.1Å; N301-N305 PolarHBondContact O-ND2 3.46Å; D302-N305 PolarHBondContact O-N 3.49Å; N305-I307 HydrophobicContact CB-CD1 3.68Å; N305-I307 HydrophobicContact CB-CG1 3.83Å; N305-I307 PolarHBondContact O-N 3.01Å; N305-I307 VanDerWaalsContact O-N 3.11Å
306	N	65.2	Low	74.8	Confident	158 Å²	158	71.1 Å²	71.1	85%	0.845	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	30	-173.3	-88.2	-23.1	0	0	0	112.8	D302	D302-N306 PolarHBondContact O-N 3.39Å
307	I	66.7	Low	75	Confident	99 Å²	99	69.3 Å²	69.3	51%	0.508	36%	0.361	S	S	.	.			trans	-91.7	143.7	176.8	-62.7	171.1	0	0	0	107.6	N305 C309	N305-I307 HydrophobicContact CB-CD1 3.68Å; N305-I307 HydrophobicContact CB-CG1 3.83Å; N305-I307 PolarHBondContact O-N 3.01Å; N305-I307 VanDerWaalsContact O-N 3.11Å; I307-C309 PolarHBondContact O-N 3.23Å
308	Q	61.8	Low	75.3	Confident	178 Å²	178	68.6 Å²	68.6	83%	0.832	36%	0.363	S	S	*	.			trans	-53	126.2	173.8	-178.9	161.5	-13.2	0	0	109.5	T310	Q308-T310 WeakPolarHBondContact O-CG2 3.35Å; Q308-T310 PolarHBondContact O-N 2.88Å
309	C	58.2	Low	75.9	Confident	86 Å²	86	67.9 Å²	67.9	58%	0.581	36%	0.363	S	S	*	.			trans	-52.6	110.3	-171.8	-175.3	0	0	0	0	111	D302 I307	D302-C309 WeakPolarHBondContact OD2-CA 3.35Å; D302-C309 PolarHBondContact OD2-SG 3.29Å; I307-C309 PolarHBondContact O-N 3.23Å
310	T	70.6	Confident	76.7	Confident	71 Å²	71	68 Å²	68	44%	0.436	36%	0.362	S	S	.	.			trans	-98.5	111.9	178.2	53.3	0	0	0	0	107.5	Q298 D302 Q308	Q298-T310 WeakPolarHBondContact CG-O 3.47Å; Q298-T310 PolarHBondContact NE2-OG1 3.49Å; D302-T310 PolarHBondContact OD1-OG1 3.38Å; D302-T310 PolarHBondContact OD2-N 3.27Å; Q308-T310 WeakPolarHBondContact O-CG2 3.35Å; Q308-T310 PolarHBondContact O-N 2.88Å
311	K	77.8	Confident	77.3	Confident	113 Å²	113	69.8 Å²	69.8	49%	0.491	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-56.5	136.9	175.9	-67.3	-167.1	172.2	-161.2	0	109.9	T313 D533 D534 A536	K311-T313 PolarHBondContact O-N 3.26Å; K311-D533 PolarHBondContact NZ-O 2.75Å; K311-D534 WeakPolarHBondContact CB-O 3.41Å; K311-D534 WeakPolarHBondContact CD-O 3.42Å; K311-D534 VanDerWaalsContact CG-O 3.26Å; K311-D534 WeakPolarHBondContact CG-O 3.47Å; K311-A536 HydrophobicContact CB-CB 3.94Å
312	P	83.4	Confident	78	Confident	17 Å²	17	68.3 Å²	68.3	11%	0.11	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-59.3	137.3	175.2	28.9	-39.1	0	0	0	110.2	T295 Q298 D534 A535 A536	T295-P312 HydrophobicContact CG2-CG 3.83Å; Q298-P312 HydrophobicContact CB-CB 4.24Å; Q298-P312 HydrophobicContact CG-CB 4.36Å; P312-D534 WeakPolarHBondContact CD-O 3.41Å; P312-A535 HydrophobicContact CG-CB 3.9Å; P312-A535 CarbonylContact O-C 3.49Å; P312-A535 WeakPolarHBondContact O-CA 3.43Å; P312-A535 WeakPolarHBondContact O-CB 3.38Å; P312-A536 PolarHBondContact O-N 3.44Å
313	T	88.6	Confident	78.8	Confident	53 Å²	53	74.2 Å²	74.2	33%	0.325	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.4	-178.8	-56.3	0	0	0	0	110.8	K311 Y315 A536 I538	K311-T313 PolarHBondContact O-N 3.26Å; T313-Y315 HydrophobicContact CG2-CD1 4.39Å; T313-Y315 HydrophobicContact CG2-CE1 3.75Å; T313-Y315 HydrophobicContact CG2-CE2 3.87Å; T313-Y315 VanDerWaalsContact CG2-CZ 3.44Å; T313-Y315 WeakPolarHBondContact CG2-OH 3.39Å; T313-A536 WeakPolarHBondContact CA-O 3.47Å; T313-I538 HydrophobicContact CG2-CB 4.35Å; T313-I538 HydrophobicContact CG2-CD1 3.32Å; T313-I538 HydrophobicContact CG2-CG1 3.78Å
314	I	91.8	Very high	79.5	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.8	171.9	-59.2	177.8	0	0	0	108.3	L334 T336 L460 L532 A535 A536 L537 I538	I314-L334 HydrophobicContact CG2-CD1 3.3Å; I314-L334 HydrophobicContact CG2-CD2 3.99Å; I314-L334 HydrophobicContact CG2-CG 3.4Å; I314-T336 HydrophobicContact CB-CG2 4.19Å; I314-T336 HydrophobicContact CG1-CG2 3.61Å; I314-T336 HydrophobicContact CG2-CG2 4.29Å; I314-L460 HydrophobicContact CD1-CD1 4.08Å; I314-L460 HydrophobicContact CG1-CD1 4.3Å; I314-L460 HydrophobicContact CG2-CD1 4.33Å; I314-L532 HydrophobicContact CD1-CD1 3.56Å; I314-A535 HydrophobicContact CD1-CB 3.28Å; I314-A535 HydrophobicContact CG1-CB 3.75Å; I314-A536 PolarHBondContact N-O 3.34Å; I314-L537 HydrophobicContact CB-CD1 4.42Å; I314-L537 HydrophobicContact CG2-CD1 4.22Å; I314-L537 CarbonylContact O-C 3.54Å; I314-L537 WeakPolarHBondContact O-CA 3.28Å; I314-I538 PolarHBondContact O-N 3.31Å
315	Y	92	Very high	79.9	Confident	26 Å²	26	67.3 Å²	67.3	10%	0.102	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.3	177.7	-60.2	-76.6	0	0	0	110.9	T313 L334 W335 E337 I538 R540	T313-Y315 HydrophobicContact CG2-CD1 4.39Å; T313-Y315 HydrophobicContact CG2-CE1 3.75Å; T313-Y315 HydrophobicContact CG2-CE2 3.87Å; T313-Y315 VanDerWaalsContact CG2-CZ 3.44Å; T313-Y315 WeakPolarHBondContact CG2-OH 3.39Å; Y315-L334 WeakPolarHBondContact O-CA 3.46Å; Y315-W335 HydrophobicContact CD2-CD2 4.4Å; Y315-W335 HydrophobicContact CD2-CE3 4.34Å; Y315-W335 HydrophobicContact CD2-CH2 4.02Å; Y315-W335 HydrophobicContact CD2-CZ2 4.09Å; Y315-W335 HydrophobicContact CD2-CZ3 4.14Å; Y315-W335 HydrophobicContact CG-CZ2 4.21Å; Y315-W335 PolarHBondContact N-O 3Å; Y315-W335 PolarHBondContact O-N 2.96Å; Y315-E337 HydrophobicContact CE2-CG 4.03Å; Y315-E337 PolarHBondContact OH-OE1 3.3Å; Y315-I538 CarbonylContact C-O 3.57Å; Y315-I538 WeakPolarHBondContact CA-O 3.24Å; Y315-I538 HydrophobicContact CD1-CB 3.86Å; Y315-I538 HydrophobicContact CD1-CG2 3.91Å; Y315-I538 HydrophobicContact CE1-CB 4.04Å; Y315-I538 HydrophobicContact CE1-CD1 4.12Å; Y315-I538 HydrophobicContact CE1-CG2 3.99Å; Y315-R540 HydrophobicContact CD1-CG 4.02Å
316	L	92.2	Very high	80.2	Confident	5 Å²	5	68.6 Å²	68.6	3%	0.026	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117	162.3	177.8	65.6	0	0	0	108.4	I518 W521 L537 I538 I539 R540	L316-I518 HydrophobicContact CD2-CG2 3.71Å; L316-W521 HydrophobicContact CD1-CH2 4.38Å; L316-W521 HydrophobicContact CD1-CZ3 3.76Å; L316-L537 HydrophobicContact CB-CD1 4.11Å; L316-I538 PolarHBondContact N-O 2.97Å; L316-I539 HydrophobicContact CB-CG1 4.46Å; L316-I539 HydrophobicContact CD2-CD1 4.49Å; L316-I539 HydrophobicContact CD2-CG1 4.21Å; L316-R540 PolarHBondContact O-N 3.22Å
317	D	89.5	Confident	80.8	Confident	18 Å²	18	62.2 Å²	62.2	10%	0.096	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144	-179.9	-168.2	26.7	0	0	0	111.5	H320 Y332 T333	D317-H320 IonicContact OD1-CE1 3.13Å; D317-H320 IonicContact OD1-NE2 3.3Å; D317-H320 IonicContact OD2-CE1 2.74Å; D317-H320 PolarHBondContact OD2-CE1 2.82Å; D317-H320 VanDerWaalsContact OD2-CE1 3.26Å; D317-H320 IonicContact OD2-NE2 3.94Å; D317-H320 PolarHBondContact OD2-NE2 3.45Å; D317-Y332 WeakPolarHBondContact O-CA 3.23Å; D317-T333 PolarHBondContact N-O 3.07Å; D317-T333 PolarHBondContact O-N 2.9Å
318	G	84.8	Confident	81.5	Confident	17 Å²	17	58.5 Å²	58.5	18%	0.175	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	137.9	175	-177.1	0	0	0	0	0	114.4
319	P	85.6	Confident	82.6	Confident	42 Å²	42	50.2 Å²	50.2	27%	0.273	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-75.4	126.9	5.8	32	-37.5	0	0	0	112.7	A330 Y332 P512	P319-A330 HydrophobicContact CB-CB 4.3Å; P319-Y332 HydrophobicContact CB-CE1 4.25Å; P319-P512 HydrophobicContact CG-CB 4.08Å
320	H	87.4	Confident	84	Confident	52 Å²	52	46.5 Å²	46.5	24%	0.241	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	156	165.7	-66.2	-55.7	0	0	0	110	D317 A330 Y331	D317-H320 IonicContact OD1-CE1 3.13Å; D317-H320 IonicContact OD1-NE2 3.3Å; D317-H320 IonicContact OD2-CE1 2.74Å; D317-H320 PolarHBondContact OD2-CE1 2.82Å; D317-H320 VanDerWaalsContact OD2-CE1 3.26Å; D317-H320 IonicContact OD2-NE2 3.94Å; D317-H320 PolarHBondContact OD2-NE2 3.45Å; H320-A330 CarbonylContact O-C 3.6Å; H320-A330 WeakPolarHBondContact O-CA 3.18Å; H320-Y331 HydrophobicContact CB-CD1 3.82Å; H320-Y331 HydrophobicContact CB-CD2 4.08Å; H320-Y331 HydrophobicContact CB-CE1 3.36Å; H320-Y331 HydrophobicContact CB-CE2 3.64Å; H320-Y331 HydrophobicContact CB-CG 4.16Å; H320-Y331 PolarHBondContact N-O 3.27Å; H320-Y331 PolarHBondContact O-N 2.88Å
321	Y	85.9	Confident	85	Confident	115 Å²	115	45.7 Å²	45.7	45%	0.451	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.2	-179.3	-61.9	-72.6	0	0	0	111.8	Q328 A329 A330	Y321-Q328 HydrophobicContact CD1-CG 3.99Å; Y321-Q328 HydrophobicContact CG-CG 4.38Å; Y321-Q328 VanDerWaalsContact CG-NE2 3.33Å; Y321-A329 WeakPolarHBondContact CA-O 3.42Å; Y321-A330 HydrophobicContact CD1-CB 4.39Å; Y321-A330 HydrophobicContact CE1-CB 4.31Å
322	V	85.2	Confident	85.7	Confident	30 Å²	30	40.8 Å²	40.8	18%	0.182	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.3	171.7	64.9	0	0	0	0	109.5	I251 I255 Q328 A329 Y331	I251-V322 HydrophobicContact CG2-CG1 3.52Å; I255-V322 HydrophobicContact CD1-CB 4.42Å; I255-V322 HydrophobicContact CD1-CG1 4.16Å; I255-V322 HydrophobicContact CG1-CG2 4.36Å; V322-Q328 WeakPolarHBondContact O-CA 3.38Å; V322-A329 HydrophobicContact CG1-CB 3.87Å; V322-A329 PolarHBondContact N-O 3.2Å; V322-A329 PolarHBondContact O-N 3.2Å; V322-Y331 HydrophobicContact CB-CD1 3.95Å; V322-Y331 HydrophobicContact CB-CE1 4Å; V322-Y331 HydrophobicContact CG1-CD1 4.08Å
323	W	83.2	Confident	86.2	Confident	138 Å²	138	40.6 Å²	40.6	52%	0.523	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.6	173.9	-70.5	94.5	0	0	0	110.2	L327 Q328 L472	W323-L327 CarbonylContact C-O 3.51Å; W323-L327 WeakPolarHBondContact CA-O 3.22Å; W323-Q328 HydrophobicContact CD2-CB 4.35Å; W323-Q328 HydrophobicContact CD2-CG 4.35Å; W323-Q328 HydrophobicContact CE3-CB 4.02Å; W323-Q328 HydrophobicContact CH2-CB 3.98Å; W323-Q328 HydrophobicContact CH2-CG 4.27Å; W323-Q328 HydrophobicContact CZ2-CB 4.31Å; W323-Q328 HydrophobicContact CZ2-CG 4.1Å; W323-Q328 HydrophobicContact CZ3-CB 3.83Å; W323-Q328 HydrophobicContact CZ3-CG 4.47Å; W323-L472 HydrophobicContact CH2-CD1 3.99Å; W323-L472 HydrophobicContact CZ3-CD1 4.37Å
324	F	81.3	Confident	86.4	Confident	8 Å²	8	38.1 Å²	38.1	4%	0.035	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	87.1	173.5	-161.4	-102.2	0	0	0	108.9	L232 I236 L247 L250 I251 R254 N326 L327	L232-F324 HydrophobicContact CD2-CD2 4.15Å; L232-F324 HydrophobicContact CD2-CE1 4.46Å; L232-F324 HydrophobicContact CD2-CE2 3.35Å; L232-F324 HydrophobicContact CD2-CZ 3.53Å; I236-F324 HydrophobicContact CD1-CD1 3.57Å; I236-F324 HydrophobicContact CD1-CE1 3.55Å; I236-F324 HydrophobicContact CG1-CD1 4.35Å; I236-F324 HydrophobicContact CG1-CE1 4.05Å; I236-F324 HydrophobicContact CG2-CD1 4.07Å; I236-F324 HydrophobicContact CG2-CE1 4.29Å; L247-F324 HydrophobicContact CD1-CD1 3.79Å; L247-F324 HydrophobicContact CD1-CE1 3.6Å; L250-F324 HydrophobicContact CB-CZ 4.18Å; I251-F324 HydrophobicContact CD1-CB 4.08Å; I251-F324 HydrophobicContact CD1-CG 4.3Å; I251-F324 HydrophobicContact CG1-CB 3.89Å; I251-F324 HydrophobicContact CG1-CD1 4.15Å; I251-F324 HydrophobicContact CG1-CD2 3.78Å; I251-F324 HydrophobicContact CG1-CE2 4.29Å; I251-F324 HydrophobicContact CG1-CG 3.69Å; R254-F324 HydrophobicContact CB-CE2 4.4Å; F324-N326 PolarHBondContact O-N 3Å; F324-N326 VanDerWaalsContact O-N 3.12Å; F324-L327 PolarHBondContact N-O 3.33Å; F324-L327 PolarHBondContact O-N 3.41Å
325	K	78.5	Confident	86.5	Confident	81 Å²	81	39.6 Å²	39.6	35%	0.352	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-109.5	-163.1	-57.5	-166.1	-171	168	0	111.5	L232 P233 L234 I236	L232-K325 HydrophobicContact CD1-CG 3.87Å; P233-K325 WeakPolarHBondContact O-CE 3.41Å; P233-K325 PolarHBondContact O-NZ 2.74Å; L234-K325 PolarHBondContact O-NZ 3.25Å; I236-K325 HydrophobicContact CD1-CB 3.74Å; I236-K325 HydrophobicContact CD1-CD 3.35Å; I236-K325 HydrophobicContact CD1-CG 3.42Å; I236-K325 VanDerWaalsContact CD1-CG 3.42Å; I236-K325 HydrophobicContact CG1-CD 4.35Å
326	N	75	Confident	86.4	Confident	130 Å²	130	38.7 Å²	38.7	70%	0.695	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-6.7	-177.2	-58.9	-5.8	0	0	0	112.2	F324	F324-N326 PolarHBondContact O-N 3Å; F324-N326 VanDerWaalsContact O-N 3.12Å
327	L	78.2	Confident	86.1	Confident	24 Å²	24	44.1 Å²	44.1	13%	0.126	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140.6	177.9	-63.7	-174.4	0	0	0	110.7	I236 L240 L247 W323 F324	I236-L327 HydrophobicContact CG2-CD1 3.34Å; I236-L327 HydrophobicContact CG2-CG 4.04Å; L240-L327 HydrophobicContact CD2-CD1 3.99Å; L240-L327 HydrophobicContact CD2-CD2 4.02Å; L247-L327 HydrophobicContact CD2-CD1 3.42Å; L247-L327 VanDerWaalsContact CD2-CD1 3.42Å; W323-L327 CarbonylContact C-O 3.51Å; W323-L327 WeakPolarHBondContact CA-O 3.22Å; F324-L327 PolarHBondContact N-O 3.33Å; F324-L327 PolarHBondContact O-N 3.41Å
328	Q	80.8	Confident	85.8	Confident	21 Å²	21	45.8 Å²	45.8	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.1	170.3	-167.4	-176.1	29.3	0	0	108.4	Y321 V322 W323	Y321-Q328 HydrophobicContact CD1-CG 3.99Å; Y321-Q328 HydrophobicContact CG-CG 4.38Å; Y321-Q328 VanDerWaalsContact CG-NE2 3.33Å; V322-Q328 WeakPolarHBondContact O-CA 3.38Å; W323-Q328 HydrophobicContact CD2-CB 4.35Å; W323-Q328 HydrophobicContact CD2-CG 4.35Å; W323-Q328 HydrophobicContact CE3-CB 4.02Å; W323-Q328 HydrophobicContact CH2-CB 3.98Å; W323-Q328 HydrophobicContact CH2-CG 4.27Å; W323-Q328 HydrophobicContact CZ2-CB 4.31Å; W323-Q328 HydrophobicContact CZ2-CG 4.1Å; W323-Q328 HydrophobicContact CZ3-CB 3.83Å; W323-Q328 HydrophobicContact CZ3-CG 4.47Å
329	A	84.3	Confident	85.7	Confident	3 Å²	3	46.1 Å²	46.1	3%	0.025	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150.9	171.5	0	0	0	0	0	110	I251 Y321 V322 P467	I251-A329 HydrophobicContact CD1-CB 3.74Å; I251-A329 HydrophobicContact CG2-CB 4.29Å; Y321-A329 WeakPolarHBondContact CA-O 3.42Å; V322-A329 HydrophobicContact CG1-CB 3.87Å; V322-A329 PolarHBondContact N-O 3.2Å; V322-A329 PolarHBondContact O-N 3.2Å; A329-P467 HydrophobicContact CB-CB 4.38Å
330	A	87.6	Confident	85.6	Confident	9 Å²	9	47.3 Å²	47.3	7%	0.074	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	140.4	173.6	0	0	0	0	0	109.6	P319 H320 Y321 V465	P319-A330 HydrophobicContact CB-CB 4.3Å; H320-A330 CarbonylContact O-C 3.6Å; H320-A330 WeakPolarHBondContact O-CA 3.18Å; Y321-A330 HydrophobicContact CD1-CB 4.39Å; Y321-A330 HydrophobicContact CE1-CB 4.31Å; A330-V465 HydrophobicContact CB-CB 4.31Å; A330-V465 HydrophobicContact CB-CG2 4.22Å; A330-V465 WeakPolarHBondContact O-CB 3.24Å; A330-V465 PolarHBondContact O-N 2.95Å
331	Y	92	Very high	85.5	Confident	53 Å²	53	49.2 Å²	49.2	21%	0.208	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157	173.2	72.2	-84.2	0	0	0	111.3	I255 H320 V322 T333 V462 G463	I255-Y331 HydrophobicContact CD1-CD1 4.09Å; I255-Y331 HydrophobicContact CD1-CD2 4.35Å; I255-Y331 HydrophobicContact CD1-CG 3.93Å; H320-Y331 HydrophobicContact CB-CD1 3.82Å; H320-Y331 HydrophobicContact CB-CD2 4.08Å; H320-Y331 HydrophobicContact CB-CE1 3.36Å; H320-Y331 HydrophobicContact CB-CE2 3.64Å; H320-Y331 HydrophobicContact CB-CG 4.16Å; H320-Y331 PolarHBondContact N-O 3.27Å; H320-Y331 PolarHBondContact O-N 2.88Å; V322-Y331 HydrophobicContact CB-CD1 3.95Å; V322-Y331 HydrophobicContact CB-CE1 4Å; V322-Y331 HydrophobicContact CG1-CD1 4.08Å; Y331-T333 HydrophobicContact CD2-CG2 3.79Å; Y331-T333 HydrophobicContact CE2-CG2 3.58Å; Y331-V462 HydrophobicContact CD2-CG1 4.15Å; Y331-G463 CarbonylContact C-O 3.47Å; Y331-G463 VanDerWaalsContact CA-O 3.22Å; Y331-G463 WeakPolarHBondContact CA-O 3.35Å
332	Y	93	Very high	85.4	Confident	10 Å²	10	44 Å²	44	4%	0.039	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.9	178.2	-66	-90	0	0	0	108.8	L279 D317 P319 V462 G463 V465 P512 A513 I518	L279-Y332 HydrophobicContact CD1-CD2 4.47Å; D317-Y332 WeakPolarHBondContact O-CA 3.23Å; P319-Y332 HydrophobicContact CB-CE1 4.25Å; Y332-V462 CarbonylContact O-C 3.54Å; Y332-V462 WeakPolarHBondContact O-CA 3.17Å; Y332-G463 PolarHBondContact N-O 3.07Å; Y332-G463 PolarHBondContact O-N 3.05Å; Y332-V465 HydrophobicContact CD2-CG2 4.11Å; Y332-V465 HydrophobicContact CE2-CG2 3.66Å; Y332-P512 WeakPolarHBondContact OH-CB 3.35Å; Y332-A513 HydrophobicContact CE2-CB 3.55Å; Y332-A513 PolarHBondContact OH-N 2.99Å; Y332-I518 HydrophobicContact CD1-CD1 4.48Å; Y332-I518 HydrophobicContact CE1-CD1 3.92Å
333	T	93	Very high	85.4	Confident	14 Å²	14	45.2 Å²	45.2	9%	0.086	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.9	-179.6	48.3	0	0	0	0	109.4	D317 Y331 V462	D317-T333 PolarHBondContact N-O 3.07Å; D317-T333 PolarHBondContact O-N 2.9Å; Y331-T333 HydrophobicContact CD2-CG2 3.79Å; Y331-T333 HydrophobicContact CE2-CG2 3.58Å; T333-V462 HydrophobicContact CG2-CG2 4.44Å
334	L	93.8	Very high	85.6	Confident	1 Å²	1	45 Å²	45	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.9	167.5	-166.7	74.8	0	0	0	107.6	I314 Y315 L460 A461 L525 L532 L537	I314-L334 HydrophobicContact CG2-CD1 3.3Å; I314-L334 HydrophobicContact CG2-CD2 3.99Å; I314-L334 HydrophobicContact CG2-CG 3.4Å; Y315-L334 WeakPolarHBondContact O-CA 3.46Å; L334-L460 HydrophobicContact CD2-CB 4.26Å; L334-L460 HydrophobicContact CG-CB 4.46Å; L334-L460 PolarHBondContact O-N 3.16Å; L334-A461 HydrophobicContact CB-CB 4.04Å; L334-A461 HydrophobicContact CD2-CB 4.33Å; L334-A461 PolarHBondContact N-O 3.25Å; L334-A461 PolarHBondContact O-N 3.26Å; L334-L525 HydrophobicContact CD2-CD1 4.38Å; L334-L532 HydrophobicContact CD2-CD1 4.04Å; L334-L537 HydrophobicContact CD1-CD1 3.57Å
335	W	92.4	Very high	85.8	Confident	34 Å²	34	47.4 Å²	47.4	13%	0.129	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.9	-177.7	68.3	-85.1	0	0	0	112.2	Y315 E456 T458 I459 R540	Y315-W335 HydrophobicContact CD2-CD2 4.4Å; Y315-W335 HydrophobicContact CD2-CE3 4.34Å; Y315-W335 HydrophobicContact CD2-CH2 4.02Å; Y315-W335 HydrophobicContact CD2-CZ2 4.09Å; Y315-W335 HydrophobicContact CD2-CZ3 4.14Å; Y315-W335 HydrophobicContact CG-CZ2 4.21Å; Y315-W335 PolarHBondContact N-O 3Å; Y315-W335 PolarHBondContact O-N 2.96Å; W335-E456 WeakPolarHBondContact CZ3-O 3.38Å; W335-T458 CarbonylContact C-O 3.54Å; W335-T458 WeakPolarHBondContact CA-O 3.4Å; W335-T458 WeakPolarHBondContact CB-O 3.44Å; W335-I459 HydrophobicContact CB-CG1 4.45Å; W335-R540 VanDerWaalsContact CZ2-CZ 3.4Å
336	T	90.4	Very high	86	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	157.9	176.8	54.8	0	0	0	0	110.9	I314 G457 T458 L460	I314-T336 HydrophobicContact CB-CG2 4.19Å; I314-T336 HydrophobicContact CG1-CG2 3.61Å; I314-T336 HydrophobicContact CG2-CG2 4.29Å; T336-G457 CarbonylContact O-C 3.48Å; T336-G457 WeakPolarHBondContact O-CA 3.18Å; T336-T458 PolarHBondContact N-O 3.21Å; T336-T458 PolarHBondContact O-N 2.98Å; T336-L460 HydrophobicContact CG2-CD1 3.45Å; T336-L460 VanDerWaalsContact CG2-CD1 3.45Å; T336-L460 HydrophobicContact CG2-CG 4.21Å
337	E	86.8	Confident	86.5	Confident	120 Å²	120	42.5 Å²	42.5	56%	0.561	22%	0.215	S	C	*	.			trans	-54.9	153.1	170.5	-72.9	176	-175.5	0	0	111.7	Y315 D339	Y315-E337 HydrophobicContact CE2-CG 4.03Å; Y315-E337 PolarHBondContact OH-OE1 3.3Å; E337-D339 PolarHBondContact O-N 3.48Å
338	I	83.6	Confident	87	Confident	52 Å²	52	45 Å²	45	27%	0.267	23%	0.229	S	C	.	.			trans	-62.9	134.7	177.7	-169.8	176.1	0	0	0	110.4	A340 L343 L449 E453	I338-A340 PolarHBondContact O-N 3.47Å; I338-L343 HydrophobicContact CD1-CB 4.11Å; I338-L343 HydrophobicContact CD1-CD1 3.97Å; I338-L343 HydrophobicContact CD1-CD2 4.14Å; I338-L343 HydrophobicContact CD1-CG 4.27Å; I338-L449 HydrophobicContact CD1-CD1 4.16Å; I338-L449 HydrophobicContact CG1-CD1 4.49Å; I338-E453 WeakPolarHBondContact CD1-O 3.46Å; I338-E453 WeakPolarHBondContact CG1-O 3.16Å
339	D	82.7	Confident	87.1	Confident	24 Å²	24	45.6 Å²	45.6	13%	0.128	24%	0.237	C	C	.	.			trans	-71.7	112.8	173.3	-177.7	7.5	0	0	0	110.8	Y293 K297 E337 D341 R342 L343	Y293-D339 WeakPolarHBondContact CE1-OD2 3.49Å; Y293-D339 PolarHBondContact OH-OD2 2.88Å; K297-D339 IonicContact NZ-OD1 3.77Å; K297-D339 PolarHBondContact NZ-OD1 3.27Å; K297-D339 IonicContact NZ-OD2 3.29Å; K297-D339 PolarHBondContact NZ-OD2 3.28Å; E337-D339 PolarHBondContact O-N 3.48Å; D339-D341 PolarHBondContact O-N 3.17Å; D339-D341 PolarHBondContact OD1-N 3.26Å; D339-R342 HydrophobicContact CB-CB 4.14Å; D339-R342 HydrophobicContact CB-CG 4.15Å; D339-R342 PolarHBondContact O-N 3.18Å; D339-R342 WeakPolarHBondContact OD2-CG 3.2Å; D339-L343 PolarHBondContact O-N 2.6Å
340	A	83.2	Confident	87	Confident	68 Å²	68	48.2 Å²	48.2	56%	0.562	25%	0.253	S	S	*	.	H	α-helix	trans	-56.7	-33.8	178.9	0	0	0	0	0	113.3	I338 K344	I338-A340 PolarHBondContact O-N 3.47Å; A340-K344 VanDerWaalsContact O-CB 3.29Å; A340-K344 WeakPolarHBondContact O-CB 3.33Å; A340-K344 PolarHBondContact O-N 3.09Å
341	D	83.9	Confident	86.8	Confident	91 Å²	91	54.1 Å²	54.1	49%	0.487	28%	0.277	S	S	.	.	H	α-helix	trans	-74.8	-41	-179.6	-68	-34.5	0	0	0	111.9	K297 D339 L343 K344 K345	K297-D341 WeakPolarHBondContact CE-OD2 3.05Å; K297-D341 IonicContact NZ-OD2 2.9Å; K297-D341 PolarHBondContact NZ-OD2 3.27Å; D339-D341 PolarHBondContact O-N 3.17Å; D339-D341 PolarHBondContact OD1-N 3.26Å; D341-L343 VanDerWaalsContact C-N 3.32Å; D341-K344 PolarHBondContact O-N 3.24Å; D341-K345 WeakPolarHBondContact O-CB 3.35Å; D341-K345 PolarHBondContact O-N 2.88Å
342	R	84.4	Confident	86.3	Confident	6 Å²	6	56 Å²	56	2%	0.023	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-44	172.7	-71.8	178.8	75.8	-151.1	1.6	110.2	L290 D339 K345 E346 I378 P446 L449 E453	L290-R342 VanDerWaalsContact CD2-NH1 3.3Å; D339-R342 HydrophobicContact CB-CB 4.14Å; D339-R342 HydrophobicContact CB-CG 4.15Å; D339-R342 PolarHBondContact O-N 3.18Å; D339-R342 WeakPolarHBondContact OD2-CG 3.2Å; R342-K345 PolarHBondContact O-N 2.82Å; R342-E346 PolarHBondContact O-N 3.2Å; R342-I378 HydrophobicContact CG-CD1 3.99Å; R342-P446 PolarHBondContact NH2-O 3.37Å; R342-P446 VanDerWaalsContact NH2-O 3.09Å; R342-L449 HydrophobicContact CB-CD1 4.31Å; R342-L449 HydrophobicContact CB-CD2 4.05Å; R342-L449 HydrophobicContact CB-CG 4.36Å; R342-L449 VanDerWaalsContact CZ-CD2 3.45Å; R342-E453 IonicContact CZ-OE1 3.85Å; R342-E453 IonicContact NH1-OE1 2.65Å; R342-E453 PolarHBondContact NH1-OE1 3.18Å; R342-E453 VanDerWaalsContact NH1-OE1 3.15Å; R342-E453 IonicContact NH2-OE1 3.75Å
343	L	85.6	Confident	85.4	Confident	55 Å²	55	59.4 Å²	59.4	29%	0.288	31%	0.313	S	S	.	.	H	α-helix	trans	-61.4	-46.3	176.5	-179.7	66.6	0	0	0	111.7	I338 D339 D341 K345 E346 I347 L449	I338-L343 HydrophobicContact CD1-CB 4.11Å; I338-L343 HydrophobicContact CD1-CD1 3.97Å; I338-L343 HydrophobicContact CD1-CD2 4.14Å; I338-L343 HydrophobicContact CD1-CG 4.27Å; D339-L343 PolarHBondContact O-N 2.6Å; D341-L343 VanDerWaalsContact C-N 3.32Å; L343-K345 VanDerWaalsContact C-N 3.31Å; L343-K345 PolarHBondContact O-N 3.41Å; L343-E346 PolarHBondContact O-N 3.16Å; L343-I347 HydrophobicContact CD1-CD1 4.18Å; L343-I347 HydrophobicContact CD1-CG1 4.43Å; L343-I347 HydrophobicContact CD2-CD1 4.44Å; L343-I347 HydrophobicContact CG-CD1 3.88Å; L343-I347 VanDerWaalsContact O-CG1 3.28Å; L343-I347 WeakPolarHBondContact O-CG1 3.38Å; L343-I347 PolarHBondContact O-N 2.91Å; L343-L449 HydrophobicContact CB-CD1 4.08Å; L343-L449 HydrophobicContact CD1-CD1 4.14Å
344	K	87.1	Confident	84.3	Confident	133 Å²	133	65.7 Å²	65.7	58%	0.578	34%	0.341	S	S	*	.	H	α-helix	trans	-61.4	-40.5	177.7	-175.4	178.8	179.7	-178.4	0	111.7	A340 D341 I347 N348	A340-K344 VanDerWaalsContact O-CB 3.29Å; A340-K344 WeakPolarHBondContact O-CB 3.33Å; A340-K344 PolarHBondContact O-N 3.09Å; D341-K344 PolarHBondContact O-N 3.24Å; K344-I347 PolarHBondContact O-N 3.23Å; K344-N348 WeakPolarHBondContact O-CB 3.28Å; K344-N348 PolarHBondContact O-N 3.27Å; K344-N348 PolarHBondContact O-ND2 3.35Å
345	K	84.7	Confident	82.9	Confident	60 Å²	60	68.1 Å²	68.1	26%	0.261	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-44.9	176.4	-171.5	-177.7	178.2	-170.5	0	111.5	D341 R342 L343 N348 A349 S376	D341-K345 WeakPolarHBondContact O-CB 3.35Å; D341-K345 PolarHBondContact O-N 2.88Å; R342-K345 PolarHBondContact O-N 2.82Å; L343-K345 VanDerWaalsContact C-N 3.31Å; L343-K345 PolarHBondContact O-N 3.41Å; K345-N348 PolarHBondContact O-N 2.92Å; K345-A349 WeakPolarHBondContact O-CB 3.42Å; K345-A349 PolarHBondContact O-N 2.83Å; K345-S376 WeakPolarHBondContact CE-OG 3.31Å; K345-S376 PolarHBondContact NZ-O 3.18Å; K345-S376 PolarHBondContact NZ-OG 2.91Å
346	E	84.1	Confident	81.1	Confident	34 Å²	34	71.5 Å²	71.5	16%	0.159	39%	0.387	C	S	.	.	H	α-helix	trans	-61.4	-47.1	176.4	-172.2	66.1	-171.8	0	0	111.2	R342 L343 N348 A349 V350 N448	R342-E346 PolarHBondContact O-N 3.2Å; L343-E346 PolarHBondContact O-N 3.16Å; E346-N348 VanDerWaalsContact C-N 3.28Å; E346-N348 PolarHBondContact O-N 3.15Å; E346-A349 PolarHBondContact O-N 3.28Å; E346-A349 VanDerWaalsContact O-N 3.17Å; E346-V350 VanDerWaalsContact O-CG2 3.31Å; E346-V350 WeakPolarHBondContact O-CG2 3.16Å; E346-V350 PolarHBondContact O-N 3.5Å; E346-N448 WeakPolarHBondContact OE2-CA 3.22Å
347	I	86	Confident	79.4	Confident	74 Å²	74	77.5 Å²	77.5	38%	0.379	41%	0.413	S	S	.	.	H	α-helix	trans	-57.9	-42.4	175.7	-69.8	167.7	0	0	0	111.1	L343 K344 V350 K351	L343-I347 HydrophobicContact CD1-CD1 4.18Å; L343-I347 HydrophobicContact CD1-CG1 4.43Å; L343-I347 HydrophobicContact CD2-CD1 4.44Å; L343-I347 HydrophobicContact CG-CD1 3.88Å; L343-I347 VanDerWaalsContact O-CG1 3.28Å; L343-I347 WeakPolarHBondContact O-CG1 3.38Å; L343-I347 PolarHBondContact O-N 2.91Å; K344-I347 PolarHBondContact O-N 3.23Å; I347-V350 PolarHBondContact O-N 3.38Å; I347-K351 HydrophobicContact CG2-CD 4.15Å; I347-K351 WeakPolarHBondContact O-CB 3.44Å; I347-K351 VanDerWaalsContact O-CG 3.29Å; I347-K351 WeakPolarHBondContact O-CG 3.34Å; I347-K351 PolarHBondContact O-N 2.82Å
348	N	88.1	Confident	77.4	Confident	76 Å²	76	80.1 Å²	80.1	41%	0.406	43%	0.425	S	S	.	.	H	α-helix	trans	-66.7	-42.5	177.6	-71.2	-19.3	0	0	0	111.7	K344 K345 E346 V350 K351 V352	K344-N348 WeakPolarHBondContact O-CB 3.28Å; K344-N348 PolarHBondContact O-N 3.27Å; K344-N348 PolarHBondContact O-ND2 3.35Å; K345-N348 PolarHBondContact O-N 2.92Å; E346-N348 VanDerWaalsContact C-N 3.28Å; E346-N348 PolarHBondContact O-N 3.15Å; N348-V350 VanDerWaalsContact C-N 3.34Å; N348-V350 PolarHBondContact O-N 3.11Å; N348-K351 PolarHBondContact O-N 2.83Å; N348-V352 VanDerWaalsContact O-CG2 3.3Å; N348-V352 WeakPolarHBondContact O-CG2 3.43Å; N348-V352 PolarHBondContact O-N 3.16Å
349	A	83.4	Confident	75.8	Confident	33 Å²	33	81.5 Å²	81.5	27%	0.273	44%	0.439	S	S	.	.	H	α-helix	trans	-61.1	-43.9	175.8	0	0	0	0	0	111.3	K345 E346 K351 V352 N353	K345-A349 WeakPolarHBondContact O-CB 3.42Å; K345-A349 PolarHBondContact O-N 2.83Å; E346-A349 PolarHBondContact O-N 3.28Å; E346-A349 VanDerWaalsContact O-N 3.17Å; A349-K351 PolarHBondContact O-N 3.1Å; A349-V352 PolarHBondContact O-N 3.31Å; A349-N353 WeakPolarHBondContact O-CB 3.41Å; A349-N353 VanDerWaalsContact O-CG 3.22Å; A349-N353 PolarHBondContact O-N 3.29Å; A349-N353 PolarHBondContact O-ND2 2.89Å
350	V	81	Confident	74.2	Confident	59 Å²	59	85.2 Å²	85.2	36%	0.358	47%	0.473	S	S	.	.	H	α-helix	trans	-62	-43.3	175.1	172.6	0	0	0	0	111.3	E346 I347 N348 V352 N353 Q354	E346-V350 VanDerWaalsContact O-CG2 3.31Å; E346-V350 WeakPolarHBondContact O-CG2 3.16Å; E346-V350 PolarHBondContact O-N 3.5Å; I347-V350 PolarHBondContact O-N 3.38Å; N348-V350 VanDerWaalsContact C-N 3.34Å; N348-V350 PolarHBondContact O-N 3.11Å; V350-V352 PolarHBondContact O-N 3.41Å; V350-N353 PolarHBondContact O-N 2.92Å; V350-Q354 HydrophobicContact CG1-CG 4.26Å; V350-Q354 WeakPolarHBondContact O-CB 3.4Å; V350-Q354 WeakPolarHBondContact O-CG 3.28Å; V350-Q354 PolarHBondContact O-N 3.25Å
351	K	83.8	Confident	72.8	Confident	132 Å²	132	89 Å²	89	57%	0.574	48%	0.484	S	S	*	.	H	α-helix	trans	-62	-42.1	175.6	-75.9	172.6	-178.6	175.9	0	112.6	I347 N348 A349 N353 Q354 A355	I347-K351 HydrophobicContact CG2-CD 4.15Å; I347-K351 WeakPolarHBondContact O-CB 3.44Å; I347-K351 VanDerWaalsContact O-CG 3.29Å; I347-K351 WeakPolarHBondContact O-CG 3.34Å; I347-K351 PolarHBondContact O-N 2.82Å; N348-K351 PolarHBondContact O-N 2.83Å; A349-K351 PolarHBondContact O-N 3.1Å; K351-N353 VanDerWaalsContact C-N 3.29Å; K351-N353 PolarHBondContact O-N 3.37Å; K351-Q354 PolarHBondContact O-N 2.97Å; K351-A355 PolarHBondContact O-N 3.1Å
352	V	82.1	Confident	71.1	Confident	94 Å²	94	91.2 Å²	91.2	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-63.9	-37.1	176.1	171.1	0	0	0	0	111	N348 A349 V350 A355	N348-V352 VanDerWaalsContact O-CG2 3.3Å; N348-V352 WeakPolarHBondContact O-CG2 3.43Å; N348-V352 PolarHBondContact O-N 3.16Å; A349-V352 PolarHBondContact O-N 3.31Å; V350-V352 PolarHBondContact O-N 3.41Å; V352-A355 WeakPolarHBondContact O-CB 3.49Å
353	N	73.6	Confident	69.4	Low	80 Å²	80	96.1 Å²	96.1	43%	0.428	52%	0.524	S	S	.	.	H	α-helix	trans	-76.7	-31.1	178.1	-68.8	-22.9	0	0	0	113.4	A349 V350 K351	A349-N353 WeakPolarHBondContact O-CB 3.41Å; A349-N353 VanDerWaalsContact O-CG 3.22Å; A349-N353 PolarHBondContact O-N 3.29Å; A349-N353 PolarHBondContact O-ND2 2.89Å; V350-N353 PolarHBondContact O-N 2.92Å; K351-N353 VanDerWaalsContact C-N 3.29Å; K351-N353 PolarHBondContact O-N 3.37Å
354	Q	69.1	Low	67.7	Low	146 Å²	146	103.4 Å²	103.4	68%	0.682	55%	0.549	S	S	*	.	H	α-helix	trans	-77.9	-18.7	174.6	-73.9	-179.4	15.8	0	0	113.3	V350 K351 P356	V350-Q354 HydrophobicContact CG1-CG 4.26Å; V350-Q354 WeakPolarHBondContact O-CB 3.4Å; V350-Q354 WeakPolarHBondContact O-CG 3.28Å; V350-Q354 PolarHBondContact O-N 3.25Å; K351-Q354 PolarHBondContact O-N 2.97Å; Q354-P356 VanDerWaalsContact O-CD 3.29Å; Q354-P356 WeakPolarHBondContact O-CD 3.47Å; Q354-P356 VanDerWaalsContact O-N 3.09Å
355	A	65.1	Low	65.5	Low	52 Å²	52	101 Å²	101	43%	0.43	54%	0.542	S	S	.	.	S	Bend	trans	-57	117.8	170.4	0	0	0	0	0	108	K351 V352 K357	K351-A355 PolarHBondContact O-N 3.1Å; V352-A355 WeakPolarHBondContact O-CB 3.49Å; A355-K357 PolarHBondContact O-N 3.13Å
356	P	55.2	Low	63.3	Low	105 Å²	105	104.4 Å²	104.4	68%	0.682	56%	0.563	S	S	*	*			trans	-61.1	107	-175.8	20.3	-29.5	0	0	0	109	Q354 H358	Q354-P356 VanDerWaalsContact O-CD 3.29Å; Q354-P356 WeakPolarHBondContact O-CD 3.47Å; Q354-P356 VanDerWaalsContact O-N 3.09Å; P356-H358 HydrophobicContact CB-CB 4.49Å; P356-H358 PolarHBondContact O-N 2.83Å
357	K	53.5	Low	61.4	Low	133 Å²	133	105.1 Å²	105.1	58%	0.578	57%	0.572	S	S	*	*			trans	-74	54.6	162.1	-63.1	-178	-174.8	174.9	0	108.6	A355 S359	A355-K357 PolarHBondContact O-N 3.13Å; K357-S359 VanDerWaalsContact C-N 3.32Å; K357-S359 PolarHBondContact O-N 3.37Å
358	H	44.3	Very low	59.3	Low	176 Å²	176	109.7 Å²	109.7	82%	0.815	59%	0.589	S	S	*	*			trans	-88.1	77.4	167.3	-76.1	-53.6	0	0	0	108	P356	P356-H358 HydrophobicContact CB-CB 4.49Å; P356-H358 PolarHBondContact O-N 2.83Å
359	S	50.3	Low	56.9	Low	81 Å²	81	112.6 Å²	112.6	57%	0.566	60%	0.599	S	S	*	*			trans	-90.3	126.1	145.6	61.8	0	0	0	0	106	K357 D361	K357-S359 VanDerWaalsContact C-N 3.32Å; K357-S359 PolarHBondContact O-N 3.37Å; S359-D361 PolarHBondContact O-N 3.32Å
360	A	50.5	Low	54.9	Low	102 Å²	102	117 Å²	117	84%	0.843	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-6.4	-175.3	0	0	0	0	0	114.4
361	D	53.6	Low	52.5	Low	146 Å²	146	124.2 Å²	124.2	78%	0.781	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-0.1	-165.9	-64.9	-27.3	0	0	0	115.8	S359	S359-D361 PolarHBondContact O-N 3.32Å
362	E	48	Very low	50.2	Low	139 Å²	139	121.1 Å²	121.1	65%	0.65	64%	0.635	S	S	*	*			trans	-136.4	88.5	174.8	-74.4	-166.3	164.9	0	0	113.5	Y364	E362-Y364 PolarHBondContact O-N 3.1Å; E362-Y364 VanDerWaalsContact O-N 3.16Å
363	P	49.3	Very low	47.9	Very low	109 Å²	109	124.1 Å²	124.1	71%	0.708	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-2.5	-179.6	26.2	-32.2	0	0	0	115
364	Y	48.2	Very low	46.1	Very low	207 Å²	207	125.5 Å²	125.5	81%	0.812	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	40.6	-175.8	-59	-71.3	0	0	0	113.6	E362 L366	E362-Y364 PolarHBondContact O-N 3.1Å; E362-Y364 VanDerWaalsContact O-N 3.16Å; Y364-L366 PolarHBondContact O-N 3.48Å; Y364-L366 VanDerWaalsContact O-N 3.09Å
365	N	42.4	Very low	44.5	Very low	82 Å²	82	125.3 Å²	125.3	44%	0.439	66%	0.664	S	S	.	*			trans	-73.3	103.8	169.6	-159.8	-21.8	0	0	0	110.2	S367	N365-S367 VanDerWaalsContact CG-OG 3.26Å; N365-S367 PolarHBondContact O-N 3.36Å; N365-S367 WeakPolarHBondContact OD1-CB 3.23Å; N365-S367 PolarHBondContact OD1-N 2.89Å; N365-S367 VanDerWaalsContact OD1-N 3.08Å; N365-S367 PolarHBondContact OD1-OG 2.94Å; N365-S367 VanDerWaalsContact OD1-OG 3.09Å
366	L	38.7	Very low	43.3	Very low	132 Å²	132	125.8 Å²	125.8	69%	0.691	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-67.2	2.6	176	-70.2	167.9	0	0	0	113.2	Y364 F368 F369	Y364-L366 PolarHBondContact O-N 3.48Å; Y364-L366 VanDerWaalsContact O-N 3.09Å; L366-F368 PolarHBondContact O-N 2.75Å; L366-F369 HydrophobicContact CD2-CD2 4.19Å; L366-F369 HydrophobicContact CD2-CE2 4.29Å; L366-F369 PolarHBondContact O-N 3.01Å
367	S	42.6	Very low	42.3	Very low	50 Å²	50	124.3 Å²	124.3	35%	0.35	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-56.9	-16.9	171.3	66.3	0	0	0	0	113.9	N365 F369 N370	N365-S367 VanDerWaalsContact CG-OG 3.26Å; N365-S367 PolarHBondContact O-N 3.36Å; N365-S367 WeakPolarHBondContact OD1-CB 3.23Å; N365-S367 PolarHBondContact OD1-N 2.89Å; N365-S367 VanDerWaalsContact OD1-N 3.08Å; N365-S367 PolarHBondContact OD1-OG 2.94Å; N365-S367 VanDerWaalsContact OD1-OG 3.09Å; S367-F369 PolarHBondContact O-N 2.81Å; S367-N370 PolarHBondContact O-N 3.02Å
368	F	41.9	Very low	41.8	Very low	170 Å²	170	120 Å²	120	75%	0.746	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-57	-28.6	170.9	-176.8	-97.7	0	0	0	113.1	L366 N370	L366-F368 PolarHBondContact O-N 2.75Å; F368-N370 VanDerWaalsContact C-N 3.29Å; F368-N370 PolarHBondContact O-N 3.21Å
369	F	38.1	Very low	41.3	Very low	137 Å²	137	115.6 Å²	115.6	60%	0.601	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-88.2	17.6	179.8	-68.5	-73.9	0	0	0	114.2	L366 S367 Y371	L366-F369 HydrophobicContact CD2-CD2 4.19Å; L366-F369 HydrophobicContact CD2-CE2 4.29Å; L366-F369 PolarHBondContact O-N 3.01Å; S367-F369 PolarHBondContact O-N 2.81Å; F369-Y371 VanDerWaalsContact C-N 3.25Å; F369-Y371 HydrophobicContact CB-CD2 4.31Å; F369-Y371 PolarHBondContact O-N 3.07Å; F369-Y371 VanDerWaalsContact O-N 3.13Å
370	N	42.6	Very low	40.5	Very low	126 Å²	126	113.3 Å²	113.3	67%	0.674	60%	0.6	S	S	*	*			trans	56.4	26.8	172.7	-87	-4	0	0	0	116.2	S367 F368 S372	S367-N370 PolarHBondContact O-N 3.02Å; F368-N370 VanDerWaalsContact C-N 3.29Å; F368-N370 PolarHBondContact O-N 3.21Å; N370-S372 VanDerWaalsContact C-N 3.33Å; N370-S372 PolarHBondContact O-N 3.11Å
371	Y	30.7	Very low	39.8	Very low	209 Å²	209	113.6 Å²	113.6	82%	0.82	59%	0.588	S	S	*	*			trans	-85.1	75.9	164.6	-73.2	-79.2	0	0	0	110	F369	F369-Y371 VanDerWaalsContact C-N 3.25Å; F369-Y371 HydrophobicContact CB-CD2 4.31Å; F369-Y371 PolarHBondContact O-N 3.07Å; F369-Y371 VanDerWaalsContact O-N 3.13Å
372	S	33.6	Very low	38.7	Very low	68 Å²	68	113.1 Å²	113.1	48%	0.476	59%	0.585	S	S	.	*			trans	-93.8	117	162.3	-84.3	0	0	0	0	109	N370 D374	N370-S372 VanDerWaalsContact C-N 3.33Å; N370-S372 PolarHBondContact O-N 3.11Å; S372-D374 PolarHBondContact O-N 3.32Å
373	N	33.8	Very low	37.9	Very low	156 Å²	156	114.2 Å²	114.2	83%	0.834	59%	0.594	S	S	*	*			trans	-73.3	62.9	167.8	-79	-17.4	0	0	0	109.9	T375	N373-T375 PolarHBondContact O-N 3.22Å
374	D	37.3	Very low	37.1	Very low	110 Å²	110	115.6 Å²	115.6	59%	0.588	60%	0.596	S	S	*	*			trans	-81.7	103.3	175.5	-82.1	-11.7	0	0	0	109.6	S372 S376	S372-D374 PolarHBondContact O-N 3.32Å; D374-S376 PolarHBondContact O-N 2.87Å
375	T	35.5	Very low	36.4	Very low	141 Å²	141	110.3 Å²	110.3	87%	0.865	59%	0.589	S	S	*	*			trans	-68.7	18	175.2	49.1	0	0	0	0	114	N373 N377	N373-T375 PolarHBondContact O-N 3.22Å; T375-N377 PolarHBondContact O-N 2.76Å
376	S	38.3	Very low	35.9	Very low	62 Å²	62	114.8 Å²	114.8	43%	0.434	61%	0.608	S	S	.	*			trans	-89.2	44.1	-179.2	69.8	0	0	0	0	112.2	K345 D374	K345-S376 WeakPolarHBondContact CE-OG 3.31Å; K345-S376 PolarHBondContact NZ-O 3.18Å; K345-S376 PolarHBondContact NZ-OG 2.91Å; D374-S376 PolarHBondContact O-N 2.87Å
377	N	35	Very low	35.5	Very low	75 Å²	75	115.6 Å²	115.6	40%	0.401	61%	0.613	S	S	.	*			trans	-65.8	138.6	178.2	-74.2	-20.5	0	0	0	111.4	T375 V379 Y444	T375-N377 PolarHBondContact O-N 2.76Å; N377-V379 PolarHBondContact O-N 2.8Å; N377-Y444 HydrophobicContact CB-CD1 3.15Å; N377-Y444 HydrophobicContact CB-CD2 4.11Å; N377-Y444 HydrophobicContact CB-CE1 3.72Å; N377-Y444 HydrophobicContact CB-CG 3.36Å
378	I	43.3	Very low	35	Very low	41 Å²	41	121 Å²	121	21%	0.21	63%	0.632	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-71	109.1	175.8	-63.1	171.2	0	0	0	108.1	Y293 R342 L380 Y444	Y293-I378 HydrophobicContact CD2-CG2 4.33Å; Y293-I378 HydrophobicContact CE2-CG2 3.52Å; R342-I378 HydrophobicContact CG-CD1 3.99Å; I378-L380 PolarHBondContact O-N 2.84Å; I378-Y444 WeakPolarHBondContact O-CA 3.38Å; I378-Y444 WeakPolarHBondContact O-CD1 3.42Å
379	V	33.2	Very low	34.3	Very low	84 Å²	84	120.7 Å²	120.7	51%	0.509	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-63	117.3	178.2	-179.9	0	0	0	0	109	N377 N381 Y444	N377-V379 PolarHBondContact O-N 2.8Å; V379-N381 PolarHBondContact O-N 3.25Å; V379-Y444 HydrophobicContact CB-CE1 4.29Å; V379-Y444 HydrophobicContact CG2-CE1 3.76Å
380	L	33.8	Very low	33.8	Very low	33 Å²	33	124.8 Å²	124.8	17%	0.173	65%	0.65	C	S	.	*			trans	-71.8	107.1	159.4	-65.5	170.1	0	0	0	106.1	A289 Y293 I378 N382 Y442 K443	A289-L380 HydrophobicContact CB-CD1 4.47Å; Y293-L380 HydrophobicContact CD2-CD2 3.77Å; Y293-L380 HydrophobicContact CG-CD2 4.23Å; I378-L380 PolarHBondContact O-N 2.84Å; L380-N382 PolarHBondContact O-N 2.87Å; L380-Y442 VanDerWaalsContact CD1-O 3.23Å; L380-Y442 WeakPolarHBondContact CD1-O 3.34Å; L380-K443 WeakPolarHBondContact CB-O 3.44Å; L380-K443 PolarHBondContact N-O 2.89Å
381	N	36.4	Very low	33.1	Very low	109 Å²	109	124.2 Å²	124.2	58%	0.583	66%	0.655	S	S	*	*			trans	-58.2	127.6	178.8	-76.8	-20.5	0	0	0	109.3	V379	V379-N381 PolarHBondContact O-N 3.25Å
382	N	30.1	Very low	33	Very low	136 Å²	136	120.8 Å²	120.8	73%	0.727	65%	0.651	S	S	*	*			trans	-56.6	143.1	166.2	-82.4	-14.2	0	0	0	108.8	L380 N384	L380-N382 PolarHBondContact O-N 2.87Å; N382-N384 PolarHBondContact O-N 3.16Å
383	L	30.6	Very low	32.7	Very low	161 Å²	161	127.4 Å²	127.4	84%	0.843	67%	0.671	S	S	*	*			trans	-45.2	119.5	167.1	-86.5	102.3	0	0	0	108.8	S385	L383-S385 PolarHBondContact O-N 3.39Å
384	N	32.1	Very low	32.5	Very low	139 Å²	139	125.3 Å²	125.3	74%	0.743	67%	0.666	S	S	*	*			trans	-48.6	125	178	-91	-26.3	0	0	0	110	N382 Q386	N382-N384 PolarHBondContact O-N 3.16Å; N384-Q386 PolarHBondContact O-N 2.98Å
385	S	34.9	Very low	31.9	Very low	95 Å²	95	129 Å²	129	66%	0.664	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	42.3	178.3	59.9	0	0	0	0	113.4	L383	L383-S385 PolarHBondContact O-N 3.39Å
386	Q	32.2	Very low	31.5	Very low	177 Å²	177	130 Å²	130	83%	0.827	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	0.1	174.2	-73.3	-123	-19.6	0	0	113.6	N384	N384-Q386 PolarHBondContact O-N 2.98Å
387	N	30.5	Very low	30.8	Very low	149 Å²	149	131.7 Å²	131.7	80%	0.797	69%	0.688	S	S	*	*			trans	-113.3	38.7	171.7	-82	-16.5	0	0	0	112.9	N389	N387-N389 PolarHBondContact O-N 3.33Å; N387-N389 VanDerWaalsContact O-N 3.13Å
388	E	30.3	Very low	30.4	Very low	162 Å²	162	135.7 Å²	135.7	76%	0.757	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	2.3	173.6	-74.2	-162.3	157.7	0	0	114.7	R390	E388-R390 PolarHBondContact O-N 3.42Å
389	N	29.1	Very low	29.4	Very low	164 Å²	164	140.7 Å²	140.7	88%	0.877	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	14.9	176.4	-71.7	-11.5	0	0	0	115.1	N387	N387-N389 PolarHBondContact O-N 3.33Å; N387-N389 VanDerWaalsContact O-N 3.13Å
390	R	26.5	Very low	29.2	Very low	224 Å²	224	142 Å²	142	85%	0.845	75%	0.745	S	S	*	*			trans	-130.9	78.9	162.4	-89.6	-174.1	173.8	174	-1.8	111.1	E388 L392	E388-R390 PolarHBondContact O-N 3.42Å; R390-L392 VanDerWaalsContact C-N 3.31Å; R390-L392 PolarHBondContact O-N 3.06Å
391	S	28.3	Very low	28.8	Very low	113 Å²	113	146.7 Å²	146.7	79%	0.79	78%	0.775	S	S	*	*			trans	-61.4	87.3	161.3	57.3	0	0	0	0	110.5
392	L	27.3	Very low	28.2	Very low	137 Å²	137	147.6 Å²	147.6	72%	0.717	78%	0.784	S	S	*	*			trans	-142.6	58.5	166.8	-77.6	178.3	0	0	0	111	R390	R390-L392 VanDerWaalsContact C-N 3.31Å; R390-L392 PolarHBondContact O-N 3.06Å
393	F	29.2	Very low	28.1	Very low	207 Å²	207	145.9 Å²	145.9	91%	0.908	78%	0.783	S	S	*	*			trans	-144.4	100.9	150.3	-74.4	-69.6	0	0	0	108.4
394	P	28.4	Very low	27.9	Very low	112 Å²	112	143.1 Å²	143.1	73%	0.727	78%	0.777	S	S	*	*			trans	-67.6	137.5	173	29	-30.1	0	0	0	108.3	M396	P394-M396 PolarHBondContact O-N 3Å
395	H	25.6	Very low	27.4	Very low	189 Å²	189	143 Å²	143	88%	0.875	78%	0.782	S	S	*	*			trans	-38.7	97.5	171.5	-76.6	-97.2	0	0	0	112.2	S397	H395-S397 PolarHBondContact O-N 3.4Å; H395-S397 VanDerWaalsContact O-N 3.13Å
396	M	26.5	Very low	27	Very low	161 Å²	161	142.2 Å²	142.2	79%	0.793	79%	0.789	S	S	*	*			trans	-81.2	83.8	159.7	-88.4	-74.4	150.4	0	0	107	P394 L398	P394-M396 PolarHBondContact O-N 3Å; M396-L398 VanDerWaalsContact C-N 3.28Å; M396-L398 PolarHBondContact O-N 3.15Å
397	S	24.6	Very low	26.7	Very low	97 Å²	97	139.6 Å²	139.6	68%	0.678	79%	0.785	S	S	*	*			trans	-62.4	91.2	162	46.3	0	0	0	0	108.7	H395 L399	H395-S397 PolarHBondContact O-N 3.4Å; H395-S397 VanDerWaalsContact O-N 3.13Å; S397-L399 PolarHBondContact O-N 2.85Å; S397-L399 VanDerWaalsContact O-N 3.11Å
398	L	24.5	Very low	26.3	Very low	159 Å²	159	140.8 Å²	140.8	83%	0.832	79%	0.786	S	S	*	*			trans	-81.5	44.4	170	-76.9	164.5	0	0	0	111.2	M396 P400	M396-L398 VanDerWaalsContact C-N 3.28Å; M396-L398 PolarHBondContact O-N 3.15Å; L398-P400 WeakPolarHBondContact O-CD 3.46Å
399	L	23.7	Very low	26.1	Very low	147 Å²	147	140.6 Å²	140.6	77%	0.77	79%	0.789	S	S	*	*			trans	-82.1	116.8	158.4	-86.3	161.7	0	0	0	106.3	S397 T401	S397-L399 PolarHBondContact O-N 2.85Å; S397-L399 VanDerWaalsContact O-N 3.11Å; L399-T401 PolarHBondContact O-N 3.01Å; L399-T401 VanDerWaalsContact O-N 3.07Å
400	P	28.1	Very low	26	Very low	110 Å²	110	140.4 Å²	140.4	71%	0.714	78%	0.783	S	S	*	*			trans	-62.6	116.5	169.1	-13.2	27.7	0	0	0	107.4	L398 V402	L398-P400 WeakPolarHBondContact O-CD 3.46Å; P400-V402 PolarHBondContact O-N 2.81Å
401	T	24.9	Very low	25.8	Very low	132 Å²	132	137.7 Å²	137.7	81%	0.81	78%	0.779	S	S	*	*			trans	-57.8	103.8	166.9	-46.6	0	0	0	0	107.2	L399 S403	L399-T401 PolarHBondContact O-N 3.01Å; L399-T401 VanDerWaalsContact O-N 3.07Å; T401-S403 VanDerWaalsContact C-N 3.27Å; T401-S403 PolarHBondContact O-N 2.85Å
402	V	25.8	Very low	25.5	Very low	128 Å²	128	137.3 Å²	137.3	78%	0.776	78%	0.775	S	S	*	*			trans	-70.1	90.6	173.9	-175.8	0	0	0	0	106.8	P400 S404	P400-V402 PolarHBondContact O-N 2.81Å; V402-S404 VanDerWaalsContact C-N 3.34Å; V402-S404 PolarHBondContact O-N 2.82Å
403	S	26	Very low	25.6	Very low	100 Å²	100	137.3 Å²	137.3	70%	0.699	78%	0.776	S	S	*	*			trans	-71.9	95.6	165.2	56.6	0	0	0	0	107.8	T401 T405	T401-S403 VanDerWaalsContact C-N 3.27Å; T401-S403 PolarHBondContact O-N 2.85Å; S403-T405 PolarHBondContact O-N 2.77Å
404	S	26.9	Very low	25.6	Very low	103 Å²	103	136 Å²	136	72%	0.72	77%	0.773	S	S	*	*			trans	-73.4	81.7	173.3	49.3	0	0	0	0	110.7	V402	V402-S404 VanDerWaalsContact C-N 3.34Å; V402-S404 PolarHBondContact O-N 2.82Å
405	T	22.5	Very low	25.6	Very low	136 Å²	136	137.7 Å²	137.7	83%	0.834	78%	0.776	S	S	*	*			trans	-169.8	118.7	159.6	45	0	0	0	0	109.6	S403	S403-T405 PolarHBondContact O-N 2.77Å
406	G	26.3	Very low	25.8	Very low	79 Å²	79	135.2 Å²	135.2	81%	0.814	77%	0.769	S	S	*	*			trans	161.9	76.5	172.6	0	0	0	0	0	114.5
407	T	24.8	Very low	26.2	Very low	122 Å²	122	133.3 Å²	133.3	75%	0.748	77%	0.766	S	S	*	*			trans	-50.9	140	175.4	-2.6	0	0	0	0	115.1
408	E	23.8	Very low	26.6	Very low	175 Å²	175	134 Å²	134	82%	0.818	77%	0.771	S	S	*	*			trans	33.2	117.7	136.6	-64.5	175.4	171	0	0	120.3
409	L	25.6	Very low	27	Very low	158 Å²	158	131.6 Å²	131.6	83%	0.827	76%	0.763	S	S	*	*			trans	-142.7	107.5	146.9	-73.6	178.1	0	0	0	112.6
410	H	27	Very low	27.4	Very low	160 Å²	160	133.2 Å²	133.2	74%	0.741	76%	0.759	S	S	*	*			trans	72.2	96.4	140.2	-63.9	-74	0	0	0	123.4
411	H	22.9	Very low	27.6	Very low	166 Å²	166	135.7 Å²	135.7	77%	0.769	76%	0.759	S	S	*	*				52.6	93.8	112.9	-144.4	60.1	0	0	0	118.1
412	C	22.1	Very low	28.2	Very low	105 Å²	105	135.7 Å²	135.7	71%	0.709	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-89.6	119.2	160.6	-73.6	0	0	0	0	109.4
413	N	29.1	Very low	28.8	Very low	137 Å²	137	133.6 Å²	133.6	73%	0.733	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-60.2	135.3	169.5	-89.7	-12.1	0	0	0	111.2
414	E	27.7	Very low	29.3	Very low	179 Å²	179	137 Å²	137	84%	0.836	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-66.3	125.9	169.4	-59.4	-177.4	141.9	0	0	109.4
415	D	30.4	Very low	29.8	Very low	149 Å²	149	137 Å²	137	80%	0.797	75%	0.745	S	S	*	*			trans	177.1	135.3	139.8	-85.7	-23.9	0	0	0	109
416	N	29	Very low	30.9	Very low	136 Å²	136	138.1 Å²	138.1	73%	0.727	74%	0.741	S	S	*	*			trans	91.6	75.9	-179.6	-52.3	-35.6	0	0	0	116.8	S418	N416-S418 PolarHBondContact O-N 2.96Å
417	V	34.4	Very low	32	Very low	121 Å²	121	138.4 Å²	138.4	73%	0.733	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-14.8	179.4	174.4	0	0	0	0	114.4
418	S	33.1	Very low	33.3	Very low	113 Å²	113	142 Å²	142	79%	0.79	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-14.5	-169.4	-67.1	0	0	0	0	117.2	N416	N416-S418 PolarHBondContact O-N 2.96Å
419	T	32.8	Very low	34.7	Very low	108 Å²	108	141 Å²	141	66%	0.663	73%	0.73	S	S	*	*	S	Bend	trans	-110.6	-1.1	-174.1	53.8	0	0	0	0	115.5
420	R	32.6	Very low	36.5	Very low	180 Å²	180	136.2 Å²	136.2	68%	0.679	71%	0.705	S	S	*	*	H	α-helix	trans	-81.1	-18.8	175.9	-84.2	-171.3	-175.4	170	4.8	115.1	I422	R420-I422 VanDerWaalsContact C-N 3.26Å; R420-I422 PolarHBondContact O-N 2.76Å
421	F	32.2	Very low	38.5	Very low	163 Å²	163	136.8 Å²	136.8	72%	0.715	71%	0.705	S	S	*	*	H	α-helix	trans	-71.2	-16	-174.4	-82.3	-77.5	0	0	0	114.8
422	I	38.5	Very low	40.8	Very low	131 Å²	131	137.1 Å²	137.1	67%	0.672	70%	0.699	S	S	*	*	H	α-helix	trans	-109.4	-30.3	-176.3	-58	177.4	0	0	0	112.4	Y226 R420	Y226-I422 HydrophobicContact CE2-CG2 4.27Å; R420-I422 VanDerWaalsContact C-N 3.26Å; R420-I422 PolarHBondContact O-N 2.76Å
423	S	38.4	Very low	43	Very low	84 Å²	84	140.1 Å²	140.1	59%	0.587	70%	0.696	S	S	*	*	H	α-helix	trans	-87.7	-7	-170.3	60.5	0	0	0	0	115.6
424	K	35.9	Very low	44.7	Very low	172 Å²	172	136.4 Å²	136.4	75%	0.748	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.5	27.7	179.8	-67.4	-168.5	178.9	-172.9	0	114.4	E426	K424-E426 PolarHBondContact O-N 2.87Å
425	C	37.1	Very low	46.7	Very low	103 Å²	103	130.8 Å²	130.8	70%	0.696	66%	0.656	S	S	*	*			trans	-72.7	72	158.6	-74.4	0	0	0	0	108.2	P427	C425-P427 WeakPolarHBondContact O-CD 3.44Å
426	E	46.1	Very low	48.6	Very low	160 Å²	160	127.9 Å²	127.9	75%	0.748	64%	0.64	S	S	*	*			trans	-56.7	122.6	146	-69.8	-172.8	168.4	0	0	104.4	K424 E428	K424-E426 PolarHBondContact O-N 2.87Å; E426-E428 PolarHBondContact O-N 3.28Å
427	P	49.9	Very low	50.4	Low	85 Å²	85	126.3 Å²	126.3	55%	0.552	62%	0.624	S	S	*	*			trans	-50.6	127.3	170.5	20.9	-30	0	0	0	106.2	C425 F429	C425-P427 WeakPolarHBondContact O-CD 3.44Å; P427-F429 HydrophobicContact CB-CD2 4.02Å; P427-F429 HydrophobicContact CB-CE2 4.3Å; P427-F429 HydrophobicContact CG-CD2 3.96Å; P427-F429 HydrophobicContact CG-CE2 4.24Å; P427-F429 PolarHBondContact O-N 2.77Å
428	E	50.8	Low	51.9	Low	198 Å²	198	127.5 Å²	127.5	93%	0.925	62%	0.621	S	S	*	*			trans	-62.1	73.7	173.2	-75.1	-175.9	162.2	0	0	108.1	E426 D430	E426-E428 PolarHBondContact O-N 3.28Å; E428-D430 PolarHBondContact O-N 2.84Å; E428-D430 VanDerWaalsContact O-N 3.16Å
429	F	53.7	Low	53.4	Low	154 Å²	154	126.6 Å²	126.6	68%	0.675	62%	0.615	S	S	*	*			trans	-70.9	109.7	162.3	-96.5	-86.3	0	0	0	104.8	P427 K431	P427-F429 HydrophobicContact CB-CD2 4.02Å; P427-F429 HydrophobicContact CB-CE2 4.3Å; P427-F429 HydrophobicContact CG-CD2 3.96Å; P427-F429 HydrophobicContact CG-CE2 4.24Å; P427-F429 PolarHBondContact O-N 2.77Å; F429-K431 PolarHBondContact O-N 3.32Å
430	D	62.7	Low	54.9	Low	57 Å²	57	126.3 Å²	126.3	31%	0.305	61%	0.606	S	S	.	*			trans	-53.3	112.6	175.7	-169.4	-16.3	0	0	0	109.1	E428 R432 W433	E428-D430 PolarHBondContact O-N 2.84Å; E428-D430 VanDerWaalsContact O-N 3.16Å; D430-R432 PolarHBondContact O-N 2.83Å; D430-R432 WeakPolarHBondContact OD1-CB 3.42Å; D430-R432 WeakPolarHBondContact OD1-CG 3.37Å; D430-R432 IonicContact OD1-CZ 2.69Å; D430-R432 PolarHBondContact OD1-N 2.89Å; D430-R432 IonicContact OD1-NE 3.67Å; D430-R432 PolarHBondContact OD1-NE 2.86Å; D430-R432 IonicContact OD1-NH2 3.7Å; D430-R432 IonicContact OD2-CZ 2.67Å; D430-R432 IonicContact OD2-NE 3.87Å; D430-R432 PolarHBondContact OD2-NE 2.94Å; D430-R432 IonicContact OD2-NH2 3.78Å; D430-R432 PolarHBondContact OD2-NH2 2.69Å; D430-W433 PolarHBondContact O-N 2.83Å
431	K	69.4	Low	56.5	Low	172 Å²	172	123 Å²	123	75%	0.748	61%	0.605	S	S	*	*	H	α-helix	trans	-54.9	-19.2	178.8	-66.9	-175.9	179.5	179.8	0	111.8	F429 W433 L434 S435	F429-K431 PolarHBondContact O-N 3.32Å; K431-W433 VanDerWaalsContact C-N 3.29Å; K431-W433 PolarHBondContact O-N 3.03Å; K431-L434 PolarHBondContact O-N 3.31Å; K431-S435 PolarHBondContact O-N 3.24Å
432	R	72	Confident	58.1	Low	172 Å²	172	117.3 Å²	117.3	65%	0.649	58%	0.579	S	S	*	*	H	α-helix	trans	-54	-42.8	170.6	-68.8	-178.4	-82.3	-177.3	0.3	111.9	D430 L434 S435 I436	D430-R432 PolarHBondContact O-N 2.83Å; D430-R432 WeakPolarHBondContact OD1-CB 3.42Å; D430-R432 WeakPolarHBondContact OD1-CG 3.37Å; D430-R432 IonicContact OD1-CZ 2.69Å; D430-R432 PolarHBondContact OD1-N 2.89Å; D430-R432 IonicContact OD1-NE 3.67Å; D430-R432 PolarHBondContact OD1-NE 2.86Å; D430-R432 IonicContact OD1-NH2 3.7Å; D430-R432 IonicContact OD2-CZ 2.67Å; D430-R432 IonicContact OD2-NE 3.87Å; D430-R432 PolarHBondContact OD2-NE 2.94Å; D430-R432 IonicContact OD2-NH2 3.78Å; D430-R432 PolarHBondContact OD2-NH2 2.69Å; R432-L434 PolarHBondContact O-N 2.83Å; R432-S435 WeakPolarHBondContact CA-OG 3.43Å; R432-S435 PolarHBondContact O-N 2.92Å; R432-S435 PolarHBondContact O-OG 2.8Å; R432-I436 VanDerWaalsContact O-CG1 3.24Å; R432-I436 WeakPolarHBondContact O-CG1 3.37Å; R432-I436 PolarHBondContact O-N 3.5Å
433	W	66.6	Low	59.5	Low	169 Å²	169	116.7 Å²	116.7	64%	0.64	57%	0.572	S	S	*	*	H	α-helix	trans	-65.2	-38.1	178.8	-70	112.6	0	0	0	113.3	D430 K431 I436 R437	D430-W433 PolarHBondContact O-N 2.83Å; K431-W433 VanDerWaalsContact C-N 3.29Å; K431-W433 PolarHBondContact O-N 3.03Å; W433-I436 HydrophobicContact CE3-CD1 4.22Å; W433-I436 PolarHBondContact O-N 3.26Å; W433-R437 PolarHBondContact O-N 2.89Å
434	L	64.8	Low	60.8	Low	59 Å²	59	117.2 Å²	117.2	31%	0.309	56%	0.562	S	S	.	*	H	α-helix	trans	-64.9	-45.4	174.8	-69.5	171.5	0	0	0	110.7	R259 M260 K431 R432 I436 R437 Q438	R259-L434 HydrophobicContact CB-CD2 3.93Å; M260-L434 HydrophobicContact SD-CD2 3.95Å; K431-L434 PolarHBondContact O-N 3.31Å; R432-L434 PolarHBondContact O-N 2.83Å; L434-I436 VanDerWaalsContact C-N 3.32Å; L434-I436 PolarHBondContact O-N 3.29Å; L434-R437 PolarHBondContact O-N 3.42Å; L434-Q438 WeakPolarHBondContact O-CB 3.48Å; L434-Q438 WeakPolarHBondContact O-CG 3.49Å; L434-Q438 PolarHBondContact O-N 3.05Å
435	S	71.1	Confident	62.4	Low	61 Å²	61	109.1 Å²	109.1	43%	0.427	53%	0.526	S	S	.	.	H	α-helix	trans	-61.7	-39.1	177.2	67.5	0	0	0	0	112.6	K431 R432 Q438 S439	K431-S435 PolarHBondContact O-N 3.24Å; R432-S435 WeakPolarHBondContact CA-OG 3.43Å; R432-S435 PolarHBondContact O-N 2.92Å; R432-S435 PolarHBondContact O-OG 2.8Å; S435-Q438 PolarHBondContact O-N 2.62Å; S435-S439 WeakPolarHBondContact O-CB 3.5Å; S435-S439 PolarHBondContact O-N 3.18Å; S435-S439 PolarHBondContact O-OG 3.22Å
436	I	70.6	Confident	63.9	Low	87 Å²	87	106.5 Å²	106.5	45%	0.446	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-48.2	175.6	-69.1	163.3	0	0	0	109.9	R432 W433 L434 Q438 S439 H440	R432-I436 VanDerWaalsContact O-CG1 3.24Å; R432-I436 WeakPolarHBondContact O-CG1 3.37Å; R432-I436 PolarHBondContact O-N 3.5Å; W433-I436 HydrophobicContact CE3-CD1 4.22Å; W433-I436 PolarHBondContact O-N 3.26Å; L434-I436 VanDerWaalsContact C-N 3.32Å; L434-I436 PolarHBondContact O-N 3.29Å; I436-Q438 PolarHBondContact O-N 2.78Å; I436-S439 PolarHBondContact O-N 3.47Å; I436-S439 PolarHBondContact O-OG 3.44Å; I436-H440 PolarHBondContact O-N 3.37Å; I436-H440 VanDerWaalsContact O-N 3.1Å
437	R	65.6	Low	64.8	Low	103 Å²	103	101.1 Å²	101.1	39%	0.389	49%	0.488	S	S	.	.	H	α-helix	trans	-67.5	-34.3	179.3	-71.6	-140.9	-71.3	177.6	2.7	113.2	D258 M260 W433 L434 H440	D258-R437 IonicContact OD1-NH2 2.68Å; D258-R437 PolarHBondContact OD1-NH2 2.85Å; D258-R437 VanDerWaalsContact OD1-NH2 3.13Å; M260-R437 HydrophobicContact CE-CB 3.74Å; M260-R437 HydrophobicContact CG-CB 4.35Å; M260-R437 HydrophobicContact SD-CB 3.68Å; W433-R437 PolarHBondContact O-N 2.89Å; L434-R437 PolarHBondContact O-N 3.42Å; R437-H440 WeakPolarHBondContact O-CB 3.47Å; R437-H440 PolarHBondContact O-N 3.33Å
438	Q	65.9	Low	66	Low	146 Å²	146	101.7 Å²	101.7	68%	0.682	49%	0.487	S	S	*	.	H	α-helix	trans	-67.6	-36.9	175.3	-74.4	176.9	-14.5	0	0	111.9	M260 L434 S435 I436 H440	M260-Q438 HydrophobicContact CE-CB 4.31Å; M260-Q438 HydrophobicContact CE-CG 3.57Å; M260-Q438 HydrophobicContact SD-CG 4.16Å; L434-Q438 WeakPolarHBondContact O-CB 3.48Å; L434-Q438 WeakPolarHBondContact O-CG 3.49Å; L434-Q438 PolarHBondContact O-N 3.05Å; S435-Q438 PolarHBondContact O-N 2.62Å; I436-Q438 PolarHBondContact O-N 2.78Å; Q438-H440 VanDerWaalsContact C-N 3.25Å; Q438-H440 PolarHBondContact O-N 3.39Å
439	S	65.6	Low	67.3	Low	94 Å²	94	92.7 Å²	92.7	66%	0.657	45%	0.445	S	S	*	.	H	α-helix	trans	-75.3	-13.6	174.7	72.9	0	0	0	0	113.7	S435 I436 V441	S435-S439 WeakPolarHBondContact O-CB 3.5Å; S435-S439 PolarHBondContact O-N 3.18Å; S435-S439 PolarHBondContact O-OG 3.22Å; I436-S439 PolarHBondContact O-N 3.47Å; I436-S439 PolarHBondContact O-OG 3.44Å; S439-V441 PolarHBondContact O-N 3.35Å
440	H	63.7	Low	68.4	Low	102 Å²	102	89 Å²	89	47%	0.472	44%	0.437	S	S	.	.			trans	-78.7	108.2	-175.8	-164	71.2	0	0	0	110.5	I436 R437 Q438 Y442	I436-H440 PolarHBondContact O-N 3.37Å; I436-H440 VanDerWaalsContact O-N 3.1Å; R437-H440 WeakPolarHBondContact O-CB 3.47Å; R437-H440 PolarHBondContact O-N 3.33Å; Q438-H440 VanDerWaalsContact C-N 3.25Å; Q438-H440 PolarHBondContact O-N 3.39Å; H440-Y442 PolarHBondContact O-N 3.03Å
441	V	65.7	Low	69	Low	110 Å²	110	94.7 Å²	94.7	67%	0.667	46%	0.462	S	S	*	.			trans	-68.1	113.5	162.1	-179.5	0	0	0	0	106.9	S439 K443	S439-V441 PolarHBondContact O-N 3.35Å; V441-K443 PolarHBondContact O-N 3.14Å
442	Y	66.7	Low	69.2	Low	44 Å²	44	90.3 Å²	90.3	17%	0.173	44%	0.444	C	S	.	.			trans	-58.7	103.5	173.8	-71.5	-97.3	0	0	0	108.3	P285 E286 A289 L380 H440	P285-Y442 HydrophobicContact CB-CD2 4.24Å; P285-Y442 HydrophobicContact CB-CE2 3.39Å; E286-Y442 HydrophobicContact CB-CE1 4Å; E286-Y442 HydrophobicContact CG-CE1 4.31Å; A289-Y442 HydrophobicContact CB-CD1 4.32Å; A289-Y442 HydrophobicContact CB-CG 3.98Å; L380-Y442 VanDerWaalsContact CD1-O 3.23Å; L380-Y442 WeakPolarHBondContact CD1-O 3.34Å; H440-Y442 PolarHBondContact O-N 3.03Å
443	K	66.3	Low	69.6	Low	119 Å²	119	82.7 Å²	82.7	52%	0.517	42%	0.416	S	S	.	.			trans	-91.9	-16	167.9	-70.8	-175.5	178.2	-177.7	0	111.7	L380 V441	L380-K443 WeakPolarHBondContact CB-O 3.44Å; L380-K443 PolarHBondContact N-O 2.89Å; V441-K443 PolarHBondContact O-N 3.14Å
444	Y	66.7	Low	70	Confident	94 Å²	94	79 Å²	79	37%	0.369	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	136.8	-169.4	-58.1	-68	0	0	0	109.8	N377 I378 V379	N377-Y444 HydrophobicContact CB-CD1 3.15Å; N377-Y444 HydrophobicContact CB-CD2 4.11Å; N377-Y444 HydrophobicContact CB-CE1 3.72Å; N377-Y444 HydrophobicContact CB-CG 3.36Å; I378-Y444 WeakPolarHBondContact O-CA 3.38Å; I378-Y444 WeakPolarHBondContact O-CD1 3.42Å; V379-Y444 HydrophobicContact CB-CE1 4.29Å; V379-Y444 HydrophobicContact CG2-CE1 3.76Å
445	L	70.4	Confident	70.5	Confident	2 Å²	2	79.3 Å²	79.3	1%	0.01	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	147.8	168.7	-73.4	172.6	0	0	0	110.7	A289 L290 Y293 S447	A289-L445 HydrophobicContact CB-CD2 4.12Å; L290-L445 HydrophobicContact CB-CD2 4.49Å; L290-L445 HydrophobicContact CD2-CD1 3.72Å; L290-L445 HydrophobicContact CD2-CD2 3.55Å; L290-L445 HydrophobicContact CD2-CG 4.22Å; L290-L445 HydrophobicContact CG-CD2 3.67Å; Y293-L445 VanDerWaalsContact CB-CD1 3.49Å; Y293-L445 HydrophobicContact CD1-CD1 3.43Å; Y293-L445 VanDerWaalsContact CD1-CD1 3.43Å; Y293-L445 HydrophobicContact CD2-CD1 3.86Å; Y293-L445 HydrophobicContact CE1-CD1 4.08Å; Y293-L445 HydrophobicContact CE2-CD1 4.46Å; Y293-L445 HydrophobicContact CG-CD1 3.29Å; L445-S447 PolarHBondContact O-N 3.47Å
446	P	67.7	Low	70.8	Confident	49 Å²	49	83.4 Å²	83.4	32%	0.318	44%	0.436	S	S	.	.			trans	-55	135.2	171.4	-26	37	0	0	0	111.4	E286 R342 N448	E286-P446 WeakPolarHBondContact OE1-CG 3.38Å; R342-P446 PolarHBondContact NH2-O 3.37Å; R342-P446 VanDerWaalsContact NH2-O 3.09Å; P446-N448 VanDerWaalsContact C-N 3.32Å
447	S	65.2	Low	71.6	Confident	46 Å²	46	79.3 Å²	79.3	32%	0.322	42%	0.415	S	S	.	.	S	Bend	trans	-64.9	-38.4	179.4	51.9	0	0	0	0	112.2	L445	L445-S447 PolarHBondContact O-N 3.47Å
448	N	74.2	Confident	72.7	Confident	97 Å²	97	74.6 Å²	74.6	52%	0.519	40%	0.397	S	S	.	.	S	Bend	trans	-87.6	129.4	-170.7	-57.1	1.8	0	0	0	109.7	E346 P446	E346-N448 WeakPolarHBondContact OE2-CA 3.22Å; P446-N448 VanDerWaalsContact C-N 3.32Å
449	L	79.2	Confident	73.9	Confident	10 Å²	10	70 Å²	70	5%	0.052	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-79	137.3	173	-67.6	169.6	0	0	0	110.2	I338 R342 L343 E453 Q454	I338-L449 HydrophobicContact CD1-CD1 4.16Å; I338-L449 HydrophobicContact CG1-CD1 4.49Å; R342-L449 HydrophobicContact CB-CD1 4.31Å; R342-L449 HydrophobicContact CB-CD2 4.05Å; R342-L449 HydrophobicContact CB-CG 4.36Å; R342-L449 VanDerWaalsContact CZ-CD2 3.45Å; L343-L449 HydrophobicContact CB-CD1 4.08Å; L343-L449 HydrophobicContact CD1-CD1 4.14Å; L449-E453 VanDerWaalsContact CA-OE2 3.3Å; L449-E453 WeakPolarHBondContact CA-OE2 3.39Å; L449-E453 HydrophobicContact CB-CB 4.27Å; L449-E453 HydrophobicContact CD2-CB 4.14Å; L449-Q454 HydrophobicContact CB-CG 3.75Å; L449-Q454 HydrophobicContact CD1-CG 4.34Å; L449-Q454 PolarHBondContact O-NE2 3.48Å; L449-Q454 VanDerWaalsContact O-NE2 3.1Å
450	C	76.8	Confident	75.2	Confident	75 Å²	75	65.5 Å²	65.5	51%	0.507	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-63	153	169.5	-68.4	0	0	0	0	110.7	H452 E453 Q454	C450-H452 PolarHBondContact O-N 3.13Å; C450-H452 VanDerWaalsContact O-N 3.16Å; C450-E453 HydrophobicContact CB-CB 4.32Å; C450-E453 HydrophobicContact CB-CG 4.07Å; C450-E453 PolarHBondContact N-OE2 2.95Å; C450-E453 WeakPolarHBondContact O-CB 3.22Å; C450-E453 PolarHBondContact O-N 2.9Å; C450-Q454 WeakPolarHBondContact O-CG 3.37Å; C450-Q454 PolarHBondContact O-N 2.84Å
451	Q	74.5	Confident	76.6	Confident	177 Å²	177	60.7 Å²	60.7	83%	0.827	32%	0.323	S	S	*	.	H	α-helix	trans	-56.1	-35.5	177.1	-174.5	177.4	6.5	0	0	112.3	G455	Q451-G455 PolarHBondContact O-N 2.58Å
452	H	73.7	Confident	78	Confident	80 Å²	80	55.6 Å²	55.6	37%	0.37	29%	0.292	S	S	.	.	H	α-helix	trans	-69	-42.6	174.7	179.8	78.7	0	0	0	112.4	C450 Q454 G455 E456 I459	C450-H452 PolarHBondContact O-N 3.13Å; C450-H452 VanDerWaalsContact O-N 3.16Å; H452-Q454 PolarHBondContact O-N 2.84Å; H452-G455 PolarHBondContact O-N 2.76Å; H452-G455 VanDerWaalsContact O-N 3.1Å; H452-E456 IonicContact CE1-OE2 2.72Å; H452-E456 PolarHBondContact CE1-OE2 3.32Å; H452-E456 IonicContact ND1-OE2 2.68Å; H452-E456 PolarHBondContact O-N 3.46Å; H452-E456 VanDerWaalsContact O-N 3.1Å; H452-I459 WeakPolarHBondContact NE2-CD1 3.31Å; H452-I459 WeakPolarHBondContact NE2-CG1 3.38Å
453	E	79.9	Confident	79.4	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-35.7	175.7	-72.4	179.9	125.8	0	0	112	I338 R342 L449 C450 G455 G457 T458	I338-E453 WeakPolarHBondContact CD1-O 3.46Å; I338-E453 WeakPolarHBondContact CG1-O 3.16Å; R342-E453 IonicContact CZ-OE1 3.85Å; R342-E453 IonicContact NH1-OE1 2.65Å; R342-E453 PolarHBondContact NH1-OE1 3.18Å; R342-E453 VanDerWaalsContact NH1-OE1 3.15Å; R342-E453 IonicContact NH2-OE1 3.75Å; L449-E453 VanDerWaalsContact CA-OE2 3.3Å; L449-E453 WeakPolarHBondContact CA-OE2 3.39Å; L449-E453 HydrophobicContact CB-CB 4.27Å; L449-E453 HydrophobicContact CD2-CB 4.14Å; C450-E453 HydrophobicContact CB-CB 4.32Å; C450-E453 HydrophobicContact CB-CG 4.07Å; C450-E453 PolarHBondContact N-OE2 2.95Å; C450-E453 WeakPolarHBondContact O-CB 3.22Å; C450-E453 PolarHBondContact O-N 2.9Å; E453-G455 VanDerWaalsContact C-N 3.32Å; E453-G455 PolarHBondContact O-N 2.86Å; E453-G457 WeakPolarHBondContact CA-O 3.33Å; E453-T458 HydrophobicContact CG-CG2 4.41Å; E453-T458 WeakPolarHBondContact OE1-CG2 3.29Å
454	Q	76.2	Confident	80.6	Confident	92 Å²	92	47.8 Å²	47.8	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-70.2	-24.6	179	-65.9	175.8	17.6	0	0	113.9	L449 C450 H452	L449-Q454 HydrophobicContact CB-CG 3.75Å; L449-Q454 HydrophobicContact CD1-CG 4.34Å; L449-Q454 PolarHBondContact O-NE2 3.48Å; L449-Q454 VanDerWaalsContact O-NE2 3.1Å; C450-Q454 WeakPolarHBondContact O-CG 3.37Å; C450-Q454 PolarHBondContact O-N 2.84Å; H452-Q454 PolarHBondContact O-N 2.84Å
455	G	74.6	Confident	81.7	Confident	66 Å²	66	44.1 Å²	44.1	68%	0.68	25%	0.247	S	C	*	.	H	α-helix	trans	-99	-53.6	-173.8	0	0	0	0	0	114.1	Q451 H452 E453	Q451-G455 PolarHBondContact O-N 2.58Å; H452-G455 PolarHBondContact O-N 2.76Å; H452-G455 VanDerWaalsContact O-N 3.1Å; E453-G455 VanDerWaalsContact C-N 3.32Å; E453-G455 PolarHBondContact O-N 2.86Å
456	E	78.2	Confident	82.5	Confident	146 Å²	146	44.7 Å²	44.7	68%	0.682	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-31.6	-167.9	-66.6	-178.9	-177.5	0	0	112.9	W335 H452	W335-E456 WeakPolarHBondContact CZ3-O 3.38Å; H452-E456 IonicContact CE1-OE2 2.72Å; H452-E456 PolarHBondContact CE1-OE2 3.32Å; H452-E456 IonicContact ND1-OE2 2.68Å; H452-E456 PolarHBondContact O-N 3.46Å; H452-E456 VanDerWaalsContact O-N 3.1Å
457	G	86.1	Confident	83	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.01	24%	0.238	C	C	.	.			trans	136.1	-177.3	-176.3	0	0	0	0	0	112.4	T336 E453	T336-G457 CarbonylContact O-C 3.48Å; T336-G457 WeakPolarHBondContact O-CA 3.18Å; E453-G457 WeakPolarHBondContact CA-O 3.33Å
458	T	89.2	Confident	83.4	Confident	4 Å²	4	41.7 Å²	41.7	3%	0.025	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.9	-176.1	-54.3	0	0	0	0	110.7	L290 W335 T336 E453 L460	L290-T458 HydrophobicContact CB-CG2 4.5Å; L290-T458 HydrophobicContact CD1-CG2 3.81Å; L290-T458 HydrophobicContact CD2-CG2 4.39Å; L290-T458 HydrophobicContact CG-CG2 4.47Å; W335-T458 CarbonylContact C-O 3.54Å; W335-T458 WeakPolarHBondContact CA-O 3.4Å; W335-T458 WeakPolarHBondContact CB-O 3.44Å; T336-T458 PolarHBondContact N-O 3.21Å; T336-T458 PolarHBondContact O-N 2.98Å; E453-T458 HydrophobicContact CG-CG2 4.41Å; E453-T458 WeakPolarHBondContact OE1-CG2 3.29Å; T458-L460 HydrophobicContact CG2-CD2 4.17Å
459	I	91.6	Very high	83	Confident	49 Å²	49	39 Å²	39	25%	0.251	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	123.1	173.9	-59.9	176.1	0	0	0	109.8	Q287 W335 H452 V462	Q287-I459 PolarHBondContact NE2-O 2.82Å; W335-I459 HydrophobicContact CB-CG1 4.45Å; H452-I459 WeakPolarHBondContact NE2-CD1 3.31Å; H452-I459 WeakPolarHBondContact NE2-CG1 3.38Å; I459-V462 HydrophobicContact CG2-CG2 3.93Å
460	L	92.3	Very high	82.3	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-26.2	-178.9	-60.7	-175.2	0	0	0	114.3	Q283 Q287 L290 L291 I314 L334 T336 T458	Q283-L460 PolarHBondContact NE2-O 3.19Å; Q287-L460 WeakPolarHBondContact CB-O 3.44Å; L290-L460 HydrophobicContact CB-CD2 3.98Å; L291-L460 HydrophobicContact CB-CD1 4.2Å; L291-L460 HydrophobicContact CB-CD2 4.27Å; L291-L460 HydrophobicContact CD1-CD1 4.08Å; L291-L460 HydrophobicContact CG-CD1 4.08Å; I314-L460 HydrophobicContact CD1-CD1 4.08Å; I314-L460 HydrophobicContact CG1-CD1 4.3Å; I314-L460 HydrophobicContact CG2-CD1 4.33Å; L334-L460 HydrophobicContact CD2-CB 4.26Å; L334-L460 HydrophobicContact CG-CB 4.46Å; L334-L460 PolarHBondContact O-N 3.16Å; T336-L460 HydrophobicContact CG2-CD1 3.45Å; T336-L460 VanDerWaalsContact CG2-CD1 3.45Å; T336-L460 HydrophobicContact CG2-CG 4.21Å; T458-L460 HydrophobicContact CG2-CD2 4.17Å
461	A	94.1	Very high	81.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	155.9	175.1	0	0	0	0	0	110.7	Q283 L334 W521 L525	Q283-A461 HydrophobicContact CG-CB 4.46Å; L334-A461 HydrophobicContact CB-CB 4.04Å; L334-A461 HydrophobicContact CD2-CB 4.33Å; L334-A461 PolarHBondContact N-O 3.25Å; L334-A461 PolarHBondContact O-N 3.26Å; A461-W521 HydrophobicContact CB-CZ2 4.18Å; A461-L525 HydrophobicContact CB-CD1 3.78Å; A461-L525 HydrophobicContact CB-CD2 4.12Å
462	V	95	Very high	81.2	Confident	3 Å²	3	33 Å²	33	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.2	173.8	-178.7	0	0	0	0	109.5	I255 A282 Y331 Y332 T333 I459 V464	I255-V462 HydrophobicContact CG2-CG1 4.14Å; I255-V462 HydrophobicContact CG2-CG2 4.48Å; A282-V462 HydrophobicContact CB-CB 4.4Å; A282-V462 PolarHBondContact N-O 3.13Å; A282-V462 PolarHBondContact O-N 3.12Å; Y331-V462 HydrophobicContact CD2-CG1 4.15Å; Y332-V462 CarbonylContact O-C 3.54Å; Y332-V462 WeakPolarHBondContact O-CA 3.17Å; T333-V462 HydrophobicContact CG2-CG2 4.44Å; I459-V462 HydrophobicContact CG2-CG2 3.93Å; V462-V464 HydrophobicContact CG1-CG2 4.12Å
463	G	94.5	Very high	81	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	110.3	176	0	0	0	0	0	110.3	I280 Y331 Y332 W521	I280-G463 CarbonylContact O-C 3.5Å; I280-G463 WeakPolarHBondContact O-CA 3.34Å; Y331-G463 CarbonylContact C-O 3.47Å; Y331-G463 VanDerWaalsContact CA-O 3.22Å; Y331-G463 WeakPolarHBondContact CA-O 3.35Å; Y332-G463 PolarHBondContact N-O 3.07Å; Y332-G463 PolarHBondContact O-N 3.05Å; G463-W521 VanDerWaalsContact N-CZ2 3.28Å
464	V	92.3	Very high	80.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.5	-179.7	-177.8	0	0	0	0	109.9	I251 A252 I255 L279 I280 V462	I251-V464 HydrophobicContact CB-CG1 4.24Å; I251-V464 HydrophobicContact CG2-CG1 3.77Å; A252-V464 HydrophobicContact CB-CB 4.35Å; A252-V464 HydrophobicContact CB-CG2 3.84Å; I255-V464 HydrophobicContact CD1-CG2 3.74Å; L279-V464 CarbonylContact C-O 3.59Å; L279-V464 WeakPolarHBondContact CA-O 3.4Å; I280-V464 PolarHBondContact N-O 3.03Å; I280-V464 PolarHBondContact O-N 3.39Å; V462-V464 HydrophobicContact CG1-CG2 4.12Å
465	V	90	Very high	80.4	Confident	17 Å²	17	30.7 Å²	30.7	10%	0.103	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	132.2	173.3	-173.4	0	0	0	0	108.7	L279 A330 Y332 A513	L279-V465 HydrophobicContact CD1-CG2 4.37Å; A330-V465 HydrophobicContact CB-CB 4.31Å; A330-V465 HydrophobicContact CB-CG2 4.22Å; A330-V465 WeakPolarHBondContact O-CB 3.24Å; A330-V465 PolarHBondContact O-N 2.95Å; Y332-V465 HydrophobicContact CD2-CG2 4.11Å; Y332-V465 HydrophobicContact CE2-CG2 3.66Å; V465-A513 HydrophobicContact CG2-CB 3.85Å
466	V	86.6	Confident	80.5	Confident	14 Å²	14	33.6 Å²	33.6	9%	0.085	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-58	127.8	176.1	168.5	0	0	0	0	109.6	P244 S278 I280	P244-V466 HydrophobicContact CB-CG1 3.68Å; P244-V466 HydrophobicContact CG-CG1 4.46Å; P244-V466 WeakPolarHBondContact O-CG1 3.49Å; S278-V466 WeakPolarHBondContact O-CB 2.91Å; S278-V466 WeakPolarHBondContact O-CG2 3.29Å; S278-V466 PolarHBondContact O-N 2.86Å; I280-V466 HydrophobicContact CD1-CG2 3.76Å; I280-V466 HydrophobicContact CG1-CG2 4.29Å
467	P	79.6	Confident	80.6	Confident	7 Å²	7	32.3 Å²	32.3	5%	0.045	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-62.8	144.6	-179.7	24.5	-33.2	0	0	0	111.3	L240 L247 I251 A329	L240-P467 HydrophobicContact CD1-CB 4.25Å; L240-P467 HydrophobicContact CD1-CG 3.85Å; L247-P467 HydrophobicContact CD2-CG 3.95Å; L247-P467 HydrophobicContact CG-CG 4.11Å; I251-P467 HydrophobicContact CD1-CG 3.95Å; A329-P467 HydrophobicContact CB-CB 4.38Å
468	K	72.4	Confident	80.2	Confident	25 Å²	25	33.5 Å²	33.5	11%	0.109	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-92	142.6	172.7	-69.7	-175.5	178	-175.9	0	110	D277	D277-K468 WeakPolarHBondContact OD1-CE 3.3Å; D277-K468 IonicContact OD1-NZ 3.65Å; D277-K468 PolarHBondContact OD1-NZ 3.37Å
469	P	65	Low	79.6	Confident	40 Å²	40	40.6 Å²	40.6	26%	0.26	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	143	170.2	24.6	-32.1	0	0	0	110.7	L240 R275 A471	L240-P469 VanDerWaalsContact CD2-CA 3.49Å; L240-P469 HydrophobicContact CD2-CB 3.96Å; L240-P469 HydrophobicContact CG-CB 4.47Å; R275-P469 PolarHBondContact NH2-O 2.94Å; P469-A471 VanDerWaalsContact C-N 3.27Å; P469-A471 PolarHBondContact O-N 3.37Å
470	D	65.4	Low	79.1	Confident	54 Å²	54	42 Å²	42	29%	0.289	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	22.7	176.7	-59.7	-37.5	0	0	0	116.3	R94 L472 D473 N474	R94-D470 IonicContact CZ-OD1 3.57Å; R94-D470 IonicContact NH1-OD1 3.62Å; R94-D470 PolarHBondContact NH1-OD1 3.39Å; R94-D470 IonicContact NH1-OD2 2.65Å; R94-D470 PolarHBondContact NH1-OD2 2.86Å; R94-D470 VanDerWaalsContact NH1-OD2 3.11Å; R94-D470 IonicContact NH2-OD1 2.73Å; D470-L472 VanDerWaalsContact C-N 3.26Å; D470-L472 PolarHBondContact O-N 3.22Å; D470-L472 VanDerWaalsContact O-N 3.16Å; D470-D473 HydrophobicContact CB-CB 4.41Å; D470-D473 PolarHBondContact O-N 3.16Å; D470-N474 WeakPolarHBondContact O-CB 3.28Å; D470-N474 PolarHBondContact O-N 3.49Å; D470-N474 PolarHBondContact O-ND2 3.31Å; D470-N474 PolarHBondContact O-OD1 2.89Å
471	A	64.9	Low	78.6	Confident	3 Å²	3	44.2 Å²	44.2	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-46.4	-48.1	177.4	0	0	0	0	0	113.5	P469 Q475 P510	P469-A471 VanDerWaalsContact C-N 3.27Å; P469-A471 PolarHBondContact O-N 3.37Å; A471-Q475 WeakPolarHBondContact O-CB 3.38Å; A471-Q475 VanDerWaalsContact O-CG 3.24Å; A471-Q475 WeakPolarHBondContact O-CG 3.48Å; A471-Q475 PolarHBondContact O-N 3.39Å; A471-P510 HydrophobicContact CB-CG 3.35Å
472	L	62.7	Low	77.9	Confident	79 Å²	79	47.1 Å²	47.1	41%	0.414	23%	0.225	S	C	.	.	H	α-helix	trans	-70.9	-45.2	-178.2	-176.4	65.1	0	0	0	112.6	W323 D470 N474 Q475 K476	W323-L472 HydrophobicContact CH2-CD1 3.99Å; W323-L472 HydrophobicContact CZ3-CD1 4.37Å; D470-L472 VanDerWaalsContact C-N 3.26Å; D470-L472 PolarHBondContact O-N 3.22Å; D470-L472 VanDerWaalsContact O-N 3.16Å; L472-N474 PolarHBondContact O-N 3.25Å; L472-Q475 PolarHBondContact O-N 3.19Å; L472-K476 WeakPolarHBondContact O-CB 3.16Å; L472-K476 PolarHBondContact O-N 2.81Å
473	D	70.2	Confident	77.2	Confident	78 Å²	78	49.6 Å²	49.6	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-65	-35.3	178.2	-71.4	-31.1	0	0	0	110.9	D470 K477	D470-D473 HydrophobicContact CB-CB 4.41Å; D470-D473 PolarHBondContact O-N 3.16Å; D473-K477 WeakPolarHBondContact O-CB 3.49Å; D473-K477 VanDerWaalsContact O-CG 3.23Å; D473-K477 WeakPolarHBondContact O-CG 3.39Å; D473-K477 PolarHBondContact O-N 3.04Å
474	N	72.9	Confident	76.4	Confident	12 Å²	12	52.4 Å²	52.4	6%	0.064	26%	0.26	C	S	.	.	H	α-helix	trans	-69.3	-42.7	175.6	-62.1	-13.2	0	0	0	111.3	D470 L472 K477 L478 P507 Q508	D470-N474 WeakPolarHBondContact O-CB 3.28Å; D470-N474 PolarHBondContact O-N 3.49Å; D470-N474 PolarHBondContact O-ND2 3.31Å; D470-N474 PolarHBondContact O-OD1 2.89Å; L472-N474 PolarHBondContact O-N 3.25Å; N474-K477 PolarHBondContact O-N 2.93Å; N474-L478 WeakPolarHBondContact O-CB 3.36Å; N474-L478 PolarHBondContact O-N 2.99Å; N474-P507 HydrophobicContact CB-CB 3.92Å; N474-P507 HydrophobicContact CB-CG 3.8Å; N474-P507 VanDerWaalsContact CG-CB 3.41Å; N474-P507 WeakPolarHBondContact OD1-CB 3.37Å; N474-P507 WeakPolarHBondContact OD1-CG 3.46Å; N474-Q508 PolarHBondContact ND2-O 3.49Å
475	Q	71.6	Confident	75.5	Confident	45 Å²	45	54.3 Å²	54.3	21%	0.21	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-45.5	173.3	-81	174.5	-6.6	0	0	111.9	A471 L472 L478 Y479 I509	A471-Q475 WeakPolarHBondContact O-CB 3.38Å; A471-Q475 VanDerWaalsContact O-CG 3.24Å; A471-Q475 WeakPolarHBondContact O-CG 3.48Å; A471-Q475 PolarHBondContact O-N 3.39Å; L472-Q475 PolarHBondContact O-N 3.19Å; Q475-L478 PolarHBondContact O-N 3.26Å; Q475-Y479 WeakPolarHBondContact O-CB 3.5Å; Q475-Y479 PolarHBondContact O-N 2.89Å; Q475-I509 HydrophobicContact CB-CD1 4.47Å; Q475-I509 HydrophobicContact CG-CD1 3.93Å; Q475-I509 HydrophobicContact CG-CG1 4.08Å; Q475-I509 HydrophobicContact CG-CG2 3.86Å
476	K	76.4	Confident	74.5	Confident	127 Å²	127	62.5 Å²	62.5	55%	0.552	30%	0.299	S	S	*	.	H	α-helix	trans	-62.5	-48.3	178	-175.9	-179.7	176.2	-173.6	0	111.2	L472 L478 Y479 D480	L472-K476 WeakPolarHBondContact O-CB 3.16Å; L472-K476 PolarHBondContact O-N 2.81Å; K476-L478 VanDerWaalsContact C-N 3.3Å; K476-L478 PolarHBondContact O-N 3.3Å; K476-Y479 PolarHBondContact O-N 2.81Å; K476-Y479 VanDerWaalsContact O-N 3.16Å; K476-D480 WeakPolarHBondContact O-CB 3.24Å; K476-D480 VanDerWaalsContact O-CG 3.28Å; K476-D480 PolarHBondContact O-N 2.98Å
477	K	80.1	Confident	73.4	Confident	119 Å²	119	68 Å²	68	52%	0.517	33%	0.327	S	S	.	.	H	α-helix	trans	-58.5	-41.7	176.2	-76.2	170.8	-178.8	174.6	0	112	D473 N474 W481 P507	D473-K477 WeakPolarHBondContact O-CB 3.49Å; D473-K477 VanDerWaalsContact O-CG 3.23Å; D473-K477 WeakPolarHBondContact O-CG 3.39Å; D473-K477 PolarHBondContact O-N 3.04Å; N474-K477 PolarHBondContact O-N 2.93Å; K477-W481 VanDerWaalsContact O-CB 3.28Å; K477-W481 WeakPolarHBondContact O-CB 3.46Å; K477-W481 PolarHBondContact O-N 2.87Å; K477-W481 VanDerWaalsContact O-N 3.1Å; K477-P507 HydrophobicContact CB-CG 4.2Å; K477-P507 HydrophobicContact CD-CG 3.97Å
478	L	76.9	Confident	72.1	Confident	27 Å²	27	73.5 Å²	73.5	14%	0.141	35%	0.352	C	S	.	.	H	α-helix	trans	-66	-44.9	175.2	-172.5	71.2	0	0	0	111.2	N474 Q475 K476 W481 E482 L506 I509	N474-L478 WeakPolarHBondContact O-CB 3.36Å; N474-L478 PolarHBondContact O-N 2.99Å; Q475-L478 PolarHBondContact O-N 3.26Å; K476-L478 VanDerWaalsContact C-N 3.3Å; K476-L478 PolarHBondContact O-N 3.3Å; L478-W481 HydrophobicContact CD1-CE3 4.35Å; L478-W481 PolarHBondContact O-N 2.96Å; L478-E482 HydrophobicContact CG-CG 4.27Å; L478-E482 WeakPolarHBondContact O-CB 3.36Å; L478-E482 WeakPolarHBondContact O-CG 3.16Å; L478-E482 PolarHBondContact O-N 3.32Å; L478-L506 HydrophobicContact CD1-CB 4.41Å; L478-L506 HydrophobicContact CD1-CD1 3.52Å; L478-I509 HydrophobicContact CB-CD1 3.75Å; L478-I509 HydrophobicContact CB-CG1 4.4Å; L478-I509 HydrophobicContact CD2-CD1 3.1Å; L478-I509 HydrophobicContact CD2-CG1 4.11Å; L478-I509 HydrophobicContact CG-CD1 3.99Å
479	Y	76.9	Confident	71	Confident	152 Å²	152	78.6 Å²	78.6	60%	0.596	38%	0.376	S	S	*	.	H	α-helix	trans	-63	-47.7	-179.4	-178.2	-95.8	0	0	0	111.6	Q475 K476 W481 E482 V483	Q475-Y479 WeakPolarHBondContact O-CB 3.5Å; Q475-Y479 PolarHBondContact O-N 2.89Å; K476-Y479 PolarHBondContact O-N 2.81Å; K476-Y479 VanDerWaalsContact O-N 3.16Å; Y479-W481 VanDerWaalsContact C-N 3.27Å; Y479-W481 PolarHBondContact O-N 3.21Å; Y479-E482 PolarHBondContact O-N 3.37Å; Y479-E482 VanDerWaalsContact O-N 3.13Å; Y479-V483 HydrophobicContact CD1-CG2 3.94Å; Y479-V483 HydrophobicContact CD2-CG2 4.48Å; Y479-V483 HydrophobicContact CE1-CG2 3.49Å; Y479-V483 VanDerWaalsContact CE1-CG2 3.49Å; Y479-V483 HydrophobicContact CE2-CG2 4.08Å; Y479-V483 HydrophobicContact CG-CG2 4.42Å; Y479-V483 WeakPolarHBondContact O-CB 3.42Å; Y479-V483 WeakPolarHBondContact O-CG2 3.21Å; Y479-V483 PolarHBondContact O-N 3.39Å
480	D	80.8	Confident	70.4	Confident	79 Å²	79	81.9 Å²	81.9	42%	0.422	40%	0.395	S	S	.	.	H	α-helix	trans	-58	-43.5	176.9	-69.1	-18.7	0	0	0	110.1	K476 V483 S484	K476-D480 WeakPolarHBondContact O-CB 3.24Å; K476-D480 VanDerWaalsContact O-CG 3.28Å; K476-D480 PolarHBondContact O-N 2.98Å; D480-V483 PolarHBondContact O-N 3.05Å; D480-S484 WeakPolarHBondContact O-CB 3.35Å; D480-S484 PolarHBondContact O-N 3.46Å; D480-S484 PolarHBondContact O-OG 3.23Å; D480-S484 VanDerWaalsContact O-OG 3.1Å
481	W	81.8	Confident	69.9	Low	48 Å²	48	86.1 Å²	86.1	18%	0.182	42%	0.418	C	S	.	.	H	α-helix	trans	-64.2	-42.8	174.1	-179.6	92.1	0	0	0	113.2	K477 L478 Y479 S484 N485 S499 E502 R503 L506	K477-W481 VanDerWaalsContact O-CB 3.28Å; K477-W481 WeakPolarHBondContact O-CB 3.46Å; K477-W481 PolarHBondContact O-N 2.87Å; K477-W481 VanDerWaalsContact O-N 3.1Å; L478-W481 HydrophobicContact CD1-CE3 4.35Å; L478-W481 PolarHBondContact O-N 2.96Å; Y479-W481 VanDerWaalsContact C-N 3.27Å; Y479-W481 PolarHBondContact O-N 3.21Å; W481-S484 PolarHBondContact O-N 3.35Å; W481-N485 VanDerWaalsContact CH2-ND2 3.3Å; W481-N485 WeakPolarHBondContact CH2-ND2 3.5Å; W481-N485 WeakPolarHBondContact CZ2-ND2 3.46Å; W481-N485 PolarHBondContact NE1-ND2 3.28Å; W481-N485 WeakPolarHBondContact O-CB 3.41Å; W481-N485 PolarHBondContact O-N 3.01Å; W481-S499 WeakPolarHBondContact CZ2-O 3.32Å; W481-E502 HydrophobicContact CZ2-CB 4.23Å; W481-R503 HydrophobicContact CH2-CB 3.64Å; W481-R503 HydrophobicContact CH2-CG 3.86Å; W481-R503 HydrophobicContact CZ2-CB 3.86Å; W481-R503 HydrophobicContact CZ2-CG 4.44Å; W481-R503 HydrophobicContact CZ3-CB 4.31Å; W481-R503 HydrophobicContact CZ3-CG 4.03Å; W481-L506 HydrophobicContact CB-CD1 3.96Å; W481-L506 HydrophobicContact CB-CD2 4.28Å; W481-L506 HydrophobicContact CD2-CD1 3.36Å; W481-L506 HydrophobicContact CE3-CD1 3.73Å; W481-L506 HydrophobicContact CG-CD1 3.48Å; W481-L506 VanDerWaalsContact CG-CD1 3.48Å; W481-L506 HydrophobicContact CG-CD2 4.23Å; W481-L506 HydrophobicContact CG-CG 4.42Å; W481-L506 HydrophobicContact CZ2-CD1 4.38Å; W481-L506 HydrophobicContact CZ3-CD1 4.41Å
482	E	79.9	Confident	69.6	Low	60 Å²	60	88.5 Å²	88.5	28%	0.28	43%	0.434	S	S	.	.	H	α-helix	trans	-65.6	-39.5	177.9	-79	-171.9	178.5	0	0	111.6	L478 Y479 N485 R486 R503	L478-E482 HydrophobicContact CG-CG 4.27Å; L478-E482 WeakPolarHBondContact O-CB 3.36Å; L478-E482 WeakPolarHBondContact O-CG 3.16Å; L478-E482 PolarHBondContact O-N 3.32Å; Y479-E482 PolarHBondContact O-N 3.37Å; Y479-E482 VanDerWaalsContact O-N 3.13Å; E482-N485 PolarHBondContact O-N 3.27Å; E482-R486 WeakPolarHBondContact O-CB 3.44Å; E482-R486 WeakPolarHBondContact O-CG 3.44Å; E482-R486 PolarHBondContact O-N 3.27Å; E482-R503 IonicContact OE1-NH2 2.86Å; E482-R503 PolarHBondContact OE1-NH2 2.96Å
483	V	80.1	Confident	69.4	Low	55 Å²	55	93.2 Å²	93.2	33%	0.333	45%	0.452	S	S	.	.	H	α-helix	trans	-64.7	-49.3	174.6	171.1	0	0	0	0	110.2	Y479 D480 N485 R486 I487	Y479-V483 HydrophobicContact CD1-CG2 3.94Å; Y479-V483 HydrophobicContact CD2-CG2 4.48Å; Y479-V483 HydrophobicContact CE1-CG2 3.49Å; Y479-V483 VanDerWaalsContact CE1-CG2 3.49Å; Y479-V483 HydrophobicContact CE2-CG2 4.08Å; Y479-V483 HydrophobicContact CG-CG2 4.42Å; Y479-V483 WeakPolarHBondContact O-CB 3.42Å; Y479-V483 WeakPolarHBondContact O-CG2 3.21Å; Y479-V483 PolarHBondContact O-N 3.39Å; D480-V483 PolarHBondContact O-N 3.05Å; V483-N485 VanDerWaalsContact C-N 3.3Å; V483-N485 PolarHBondContact O-N 2.97Å; V483-R486 PolarHBondContact O-N 3.44Å; V483-I487 HydrophobicContact CG1-CD1 3.91Å; V483-I487 WeakPolarHBondContact O-CD1 3.3Å; V483-I487 VanDerWaalsContact O-CG1 3.24Å; V483-I487 WeakPolarHBondContact O-CG1 2.84Å; V483-I487 PolarHBondContact O-N 3.39Å; V483-I487 VanDerWaalsContact O-N 3.14Å
484	S	78.7	Confident	68.9	Low	60 Å²	60	95.1 Å²	95.1	42%	0.42	46%	0.461	S	S	.	.	H	α-helix	trans	-56.3	-44.5	175.7	-68.4	0	0	0	0	111.7	D480 W481 I487 H488	D480-S484 WeakPolarHBondContact O-CB 3.35Å; D480-S484 PolarHBondContact O-N 3.46Å; D480-S484 PolarHBondContact O-OG 3.23Å; D480-S484 VanDerWaalsContact O-OG 3.1Å; W481-S484 PolarHBondContact O-N 3.35Å; S484-I487 PolarHBondContact O-N 2.99Å; S484-H488 PolarHBondContact O-CD2 3.01Å; S484-H488 PolarHBondContact O-N 3.05Å
485	N	72.5	Confident	68.1	Low	39 Å²	39	97.3 Å²	97.3	21%	0.209	48%	0.477	C	S	.	.	H	α-helix	trans	-75.8	-31.7	-179	-80.4	-11.3	0	0	0	114.5	W481 E482 V483 I487 H488	W481-N485 VanDerWaalsContact CH2-ND2 3.3Å; W481-N485 WeakPolarHBondContact CH2-ND2 3.5Å; W481-N485 WeakPolarHBondContact CZ2-ND2 3.46Å; W481-N485 PolarHBondContact NE1-ND2 3.28Å; W481-N485 WeakPolarHBondContact O-CB 3.41Å; W481-N485 PolarHBondContact O-N 3.01Å; E482-N485 PolarHBondContact O-N 3.27Å; V483-N485 VanDerWaalsContact C-N 3.3Å; V483-N485 PolarHBondContact O-N 2.97Å; N485-I487 VanDerWaalsContact C-N 3.26Å; N485-I487 PolarHBondContact O-N 2.72Å; N485-H488 PolarHBondContact O-N 3.03Å
486	R	68.6	Low	67.5	Low	189 Å²	189	100.4 Å²	100.4	71%	0.713	49%	0.49	S	S	*	.	H	α-helix	trans	-64.3	-33.4	171.8	-81.1	-169.3	-173.8	-137.9	7	111.9	E482 V483 H488 H489	E482-R486 WeakPolarHBondContact O-CB 3.44Å; E482-R486 WeakPolarHBondContact O-CG 3.44Å; E482-R486 PolarHBondContact O-N 3.27Å; V483-R486 PolarHBondContact O-N 3.44Å; R486-H488 VanDerWaalsContact C-N 3.3Å; R486-H489 PolarHBondContact O-CD2 2.84Å
487	I	63.9	Low	66.7	Low	129 Å²	129	100.5 Å²	100.5	66%	0.662	49%	0.492	S	S	*	.	H	α-helix	trans	-69.5	-30.8	176.5	-65.4	163.5	0	0	0	111.1	V483 S484 N485 H489	V483-I487 HydrophobicContact CG1-CD1 3.91Å; V483-I487 WeakPolarHBondContact O-CD1 3.3Å; V483-I487 VanDerWaalsContact O-CG1 3.24Å; V483-I487 WeakPolarHBondContact O-CG1 2.84Å; V483-I487 PolarHBondContact O-N 3.39Å; V483-I487 VanDerWaalsContact O-N 3.14Å; S484-I487 PolarHBondContact O-N 2.99Å; N485-I487 VanDerWaalsContact C-N 3.26Å; N485-I487 PolarHBondContact O-N 2.72Å; I487-H489 PolarHBondContact O-N 3.2Å
488	H	53.4	Low	65.7	Low	124 Å²	124	100.9 Å²	100.9	57%	0.574	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	17.1	-176.7	-70.5	-56.8	0	0	0	115.5	S484 N485 R486 T490	S484-H488 PolarHBondContact O-CD2 3.01Å; S484-H488 PolarHBondContact O-N 3.05Å; N485-H488 PolarHBondContact O-N 3.03Å; R486-H488 VanDerWaalsContact C-N 3.3Å; H488-T490 VanDerWaalsContact C-N 3.26Å; H488-T490 PolarHBondContact O-N 3.18Å
489	H	48.7	Very low	65	Low	131 Å²	131	101 Å²	101	61%	0.606	50%	0.499	S	S	*	.			trans	-64.4	85.9	172.5	-84	-61.1	0	0	0	111.9	R486 I487	R486-H489 PolarHBondContact O-CD2 2.84Å; I487-H489 PolarHBondContact O-N 3.2Å
490	T	52.3	Low	64.3	Low	109 Å²	109	99.2 Å²	99.2	67%	0.669	50%	0.496	S	S	*	.			trans	-101.2	129.4	149	53.1	0	0	0	0	106.4	H488 S492	H488-T490 VanDerWaalsContact C-N 3.26Å; H488-T490 PolarHBondContact O-N 3.18Å; T490-S492 PolarHBondContact O-N 2.86Å
491	D	54.5	Low	63.7	Low	143 Å²	143	102.7 Å²	102.7	77%	0.765	51%	0.507	S	S	*	.			trans	-73	54.6	-169.5	-80.6	-46.7	0	0	0	114.2
492	S	58.3	Low	63	Low	53 Å²	53	104.2 Å²	104.2	37%	0.371	52%	0.517	S	S	.	.			trans	-91.9	129.9	168.3	169.3	0	0	0	0	110.8	T490 D494 C495	T490-S492 PolarHBondContact O-N 2.86Å; S492-D494 PolarHBondContact O-N 3.28Å; S492-D494 PolarHBondContact OG-N 3.28Å; S492-C495 PolarHBondContact O-N 3.23Å
493	K	59.6	Low	62.4	Low	179 Å²	179	107.7 Å²	107.7	78%	0.778	53%	0.527	S	S	*	.	H	α-helix	trans	-60.4	-30.9	176.8	-72.5	-176.2	178.3	178.2	0	112.6	K496	K493-K496 PolarHBondContact O-N 3.49Å
494	D	59.3	Low	61.7	Low	117 Å²	117	114.2 Å²	114.2	63%	0.626	55%	0.547	S	S	*	.	H	α-helix	trans	-71.3	-36.1	-178.5	-60.3	-31	0	0	0	111.5	S492 K496 Q497 Q498	S492-D494 PolarHBondContact O-N 3.28Å; S492-D494 PolarHBondContact OG-N 3.28Å; D494-K496 VanDerWaalsContact C-N 3.27Å; D494-K496 PolarHBondContact O-N 3.17Å; D494-Q497 PolarHBondContact O-N 3Å; D494-Q498 PolarHBondContact O-N 2.64Å; D494-Q498 VanDerWaalsContact O-N 3.11Å
495	C	56.1	Low	61.3	Low	58 Å²	58	118.3 Å²	118.3	39%	0.392	56%	0.564	S	S	.	*	H	α-helix	trans	-63.6	-32.4	176	-166	0	0	0	0	112	S492 S499	S492-C495 PolarHBondContact O-N 3.23Å; C495-S499 WeakPolarHBondContact O-CB 3.33Å; C495-S499 PolarHBondContact O-N 3.43Å; C495-S499 PolarHBondContact O-OG 3.47Å
496	K	59.1	Low	61.1	Low	110 Å²	110	118.3 Å²	118.3	48%	0.478	56%	0.564	S	S	.	*	H	α-helix	trans	-68.4	-37.4	176	-68	-176.9	-179.6	175.3	0	112.8	K493 D494 S499 Q500	K493-K496 PolarHBondContact O-N 3.49Å; D494-K496 VanDerWaalsContact C-N 3.27Å; D494-K496 PolarHBondContact O-N 3.17Å; K496-S499 WeakPolarHBondContact CA-OG 3.25Å; K496-S499 PolarHBondContact O-OG 3.16Å; K496-Q500 VanDerWaalsContact O-CG 3.27Å; K496-Q500 WeakPolarHBondContact O-CG 3.43Å; K496-Q500 PolarHBondContact O-N 2.95Å
497	Q	58.5	Low	60.9	Low	129 Å²	129	111.2 Å²	111.2	60%	0.603	54%	0.543	S	S	*	.	H	α-helix	trans	-73.9	-39	177.8	-67	-172.5	1.8	0	0	111.9	D494 Q500 K501	D494-Q497 PolarHBondContact O-N 3Å; Q497-Q500 PolarHBondContact O-N 3.39Å; Q497-K501 PolarHBondContact O-N 3.02Å; Q497-K501 VanDerWaalsContact O-N 3.13Å
498	Q	59.4	Low	60.7	Low	127 Å²	127	110.9 Å²	110.9	59%	0.593	54%	0.538	S	S	*	.	H	α-helix	trans	-67.6	-45.1	178	-169.2	166.8	-2.8	0	0	111.8	D494 Q500 K501 E502	D494-Q498 PolarHBondContact O-N 2.64Å; D494-Q498 VanDerWaalsContact O-N 3.11Å; Q498-Q500 VanDerWaalsContact C-N 3.3Å; Q498-Q500 PolarHBondContact O-N 3.23Å; Q498-K501 PolarHBondContact O-N 2.83Å; Q498-K501 VanDerWaalsContact O-N 3.16Å; Q498-E502 WeakPolarHBondContact O-CG 3.48Å; Q498-E502 PolarHBondContact O-N 3.1Å
499	S	62	Low	61.1	Low	29 Å²	29	107.5 Å²	107.5	20%	0.203	52%	0.524	C	S	.	.	H	α-helix	trans	-61.2	-35.7	173.4	54.4	0	0	0	0	112.7	W481 C495 K496 E502 R503	W481-S499 WeakPolarHBondContact CZ2-O 3.32Å; C495-S499 WeakPolarHBondContact O-CB 3.33Å; C495-S499 PolarHBondContact O-N 3.43Å; C495-S499 PolarHBondContact O-OG 3.47Å; K496-S499 WeakPolarHBondContact CA-OG 3.25Å; K496-S499 PolarHBondContact O-OG 3.16Å; S499-E502 PolarHBondContact O-N 3.24Å; S499-R503 WeakPolarHBondContact O-CB 3.29Å; S499-R503 PolarHBondContact O-N 3.15Å
500	Q	63.8	Low	61.7	Low	116 Å²	116	102.2 Å²	102.2	54%	0.542	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-44.7	173	-78.2	177.1	1	0	0	112.3	K496 Q497 Q498 R503 Y504	K496-Q500 VanDerWaalsContact O-CG 3.27Å; K496-Q500 WeakPolarHBondContact O-CG 3.43Å; K496-Q500 PolarHBondContact O-N 2.95Å; Q497-Q500 PolarHBondContact O-N 3.39Å; Q498-Q500 VanDerWaalsContact C-N 3.3Å; Q498-Q500 PolarHBondContact O-N 3.23Å; Q500-R503 WeakPolarHBondContact O-CB 3.49Å; Q500-R503 PolarHBondContact O-N 2.88Å; Q500-Y504 WeakPolarHBondContact O-CD2 3.44Å; Q500-Y504 PolarHBondContact O-N 2.93Å
501	K	67.2	Low	62.3	Low	151 Å²	151	100 Å²	100	66%	0.657	49%	0.49	S	S	*	.	H	α-helix	trans	-61.2	-43.3	176.1	-74.8	-177.8	179.3	178.6	0	112.3	Q497 Q498 R503 Y504	Q497-K501 PolarHBondContact O-N 3.02Å; Q497-K501 VanDerWaalsContact O-N 3.13Å; Q498-K501 PolarHBondContact O-N 2.83Å; Q498-K501 VanDerWaalsContact O-N 3.16Å; K501-R503 VanDerWaalsContact C-N 3.3Å; K501-R503 PolarHBondContact O-N 3.27Å; K501-Y504 PolarHBondContact O-N 3.35Å
502	E	66.6	Low	63.2	Low	80 Å²	80	96.5 Å²	96.5	37%	0.374	48%	0.475	S	S	.	.	H	α-helix	trans	-62.7	-38.6	175.7	-72.3	175.1	-169.8	0	0	111.9	W481 Q498 S499 Y504 N505 L506	W481-E502 HydrophobicContact CZ2-CB 4.23Å; Q498-E502 WeakPolarHBondContact O-CG 3.48Å; Q498-E502 PolarHBondContact O-N 3.1Å; S499-E502 PolarHBondContact O-N 3.24Å; E502-Y504 VanDerWaalsContact C-N 3.28Å; E502-Y504 PolarHBondContact O-N 3.38Å; E502-N505 PolarHBondContact O-N 3.4Å; E502-L506 PolarHBondContact O-N 2.91Å
503	R	68.2	Low	64.2	Low	134 Å²	134	94.4 Å²	94.4	51%	0.506	46%	0.461	S	S	.	.	H	α-helix	trans	-61.3	-35.3	176.5	-161.2	179.4	-170.9	-178	7.9	112.8	W481 E482 S499 Q500 K501 N505 L506	W481-R503 HydrophobicContact CH2-CB 3.64Å; W481-R503 HydrophobicContact CH2-CG 3.86Å; W481-R503 HydrophobicContact CZ2-CB 3.86Å; W481-R503 HydrophobicContact CZ2-CG 4.44Å; W481-R503 HydrophobicContact CZ3-CB 4.31Å; W481-R503 HydrophobicContact CZ3-CG 4.03Å; E482-R503 IonicContact OE1-NH2 2.86Å; E482-R503 PolarHBondContact OE1-NH2 2.96Å; S499-R503 WeakPolarHBondContact O-CB 3.29Å; S499-R503 PolarHBondContact O-N 3.15Å; Q500-R503 WeakPolarHBondContact O-CB 3.49Å; Q500-R503 PolarHBondContact O-N 2.88Å; K501-R503 VanDerWaalsContact C-N 3.3Å; K501-R503 PolarHBondContact O-N 3.27Å; R503-N505 PolarHBondContact O-N 2.95Å; R503-L506 HydrophobicContact CG-CD1 4.28Å; R503-L506 WeakPolarHBondContact O-CB 3.32Å; R503-L506 PolarHBondContact O-N 3.41Å
504	Y	64.3	Low	65.4	Low	192 Å²	192	88 Å²	88	75%	0.753	44%	0.437	S	S	*	.	H	α-helix	trans	-67.6	-22.6	176.1	-71.9	-70	0	0	0	113.3	Q500 K501 E502	Q500-Y504 WeakPolarHBondContact O-CD2 3.44Å; Q500-Y504 PolarHBondContact O-N 2.93Å; K501-Y504 PolarHBondContact O-N 3.35Å; E502-Y504 VanDerWaalsContact C-N 3.28Å; E502-Y504 PolarHBondContact O-N 3.38Å
505	N	71.3	Confident	66.6	Low	145 Å²	145	86.4 Å²	86.4	78%	0.775	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-7.3	175.9	-65.4	-25	0	0	0	113	E502 R503	E502-N505 PolarHBondContact O-N 3.4Å; R503-N505 PolarHBondContact O-N 2.95Å
506	L	67.3	Low	68.1	Low	39 Å²	39	87.1 Å²	87.1	20%	0.204	44%	0.439	C	S	.	.	S	Bend	trans	-74.5	151.1	176.9	-70.7	168.6	0	0	0	111	L478 W481 E502 R503	L478-L506 HydrophobicContact CD1-CB 4.41Å; L478-L506 HydrophobicContact CD1-CD1 3.52Å; W481-L506 HydrophobicContact CB-CD1 3.96Å; W481-L506 HydrophobicContact CB-CD2 4.28Å; W481-L506 HydrophobicContact CD2-CD1 3.36Å; W481-L506 HydrophobicContact CE3-CD1 3.73Å; W481-L506 HydrophobicContact CG-CD1 3.48Å; W481-L506 VanDerWaalsContact CG-CD1 3.48Å; W481-L506 HydrophobicContact CG-CD2 4.23Å; W481-L506 HydrophobicContact CG-CG 4.42Å; W481-L506 HydrophobicContact CZ2-CD1 4.38Å; W481-L506 HydrophobicContact CZ3-CD1 4.41Å; E502-L506 PolarHBondContact O-N 2.91Å; R503-L506 HydrophobicContact CG-CD1 4.28Å; R503-L506 WeakPolarHBondContact O-CB 3.32Å; R503-L506 PolarHBondContact O-N 3.41Å
507	P	64.3	Low	69.5	Low	41 Å²	41	82 Å²	82	27%	0.266	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-68.9	147.6	-177.6	31.8	-38.5	0	0	0	111.7	N474 K477 I509	N474-P507 HydrophobicContact CB-CB 3.92Å; N474-P507 HydrophobicContact CB-CG 3.8Å; N474-P507 VanDerWaalsContact CG-CB 3.41Å; N474-P507 WeakPolarHBondContact OD1-CB 3.37Å; N474-P507 WeakPolarHBondContact OD1-CG 3.46Å; K477-P507 HydrophobicContact CB-CG 4.2Å; K477-P507 HydrophobicContact CD-CG 3.97Å; P507-I509 PolarHBondContact O-N 3.26Å
508	Q	59.8	Low	71	Confident	122 Å²	122	77 Å²	77	57%	0.57	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-68.9	121.7	-178.7	-65.4	175.8	-2	0	0	111.2	R275 N474	R275-Q508 VanDerWaalsContact NH1-OE1 3.14Å; N474-Q508 PolarHBondContact ND2-O 3.49Å
509	I	62.3	Low	72.5	Confident	52 Å²	52	79.9 Å²	79.9	27%	0.267	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-71.3	149.9	165.2	-65.7	-172.8	0	0	0	109	Q475 L478 P507 S511	Q475-I509 HydrophobicContact CB-CD1 4.47Å; Q475-I509 HydrophobicContact CG-CD1 3.93Å; Q475-I509 HydrophobicContact CG-CG1 4.08Å; Q475-I509 HydrophobicContact CG-CG2 3.86Å; L478-I509 HydrophobicContact CB-CD1 3.75Å; L478-I509 HydrophobicContact CB-CG1 4.4Å; L478-I509 HydrophobicContact CD2-CD1 3.1Å; L478-I509 HydrophobicContact CD2-CG1 4.11Å; L478-I509 HydrophobicContact CG-CD1 3.99Å; P507-I509 PolarHBondContact O-N 3.26Å; I509-S511 VanDerWaalsContact C-N 3.33Å; I509-S511 PolarHBondContact O-N 2.94Å
510	P	60.6	Low	74	Confident	21 Å²	21	81.5 Å²	81.5	14%	0.136	41%	0.405	C	S	.	.			trans	-54.7	99.3	163	-13.9	22.3	0	0	0	109.7	A471	A471-P510 HydrophobicContact CB-CG 3.35Å
511	S	65.9	Low	75.4	Confident	63 Å²	63	76 Å²	76	44%	0.441	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-65.4	156.2	168.5	56.7	0	0	0	0	108.9	I509	I509-S511 VanDerWaalsContact C-N 3.33Å; I509-S511 PolarHBondContact O-N 2.94Å
512	P	73.2	Confident	76.6	Confident	69 Å²	69	69.8 Å²	69.8	45%	0.448	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-46.4	150.7	159.7	19.4	-30.9	0	0	0	110.2	P319 Y332	P319-P512 HydrophobicContact CG-CB 4.08Å; Y332-P512 WeakPolarHBondContact OH-CB 3.35Å
513	A	80.3	Confident	77.9	Confident	9 Å²	9	69 Å²	69	7%	0.074	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-52.1	136.2	175	0	0	0	0	0	109.7	Y332 V465 L517 I518	Y332-A513 HydrophobicContact CE2-CB 3.55Å; Y332-A513 PolarHBondContact OH-N 2.99Å; V465-A513 HydrophobicContact CG2-CB 3.85Å; A513-L517 HydrophobicContact CB-CD2 4.24Å; A513-I518 HydrophobicContact CB-CD1 4.21Å; A513-I518 HydrophobicContact CB-CG1 3.87Å
514	P	83.5	Confident	79	Confident	43 Å²	43	64.1 Å²	64.1	28%	0.279	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-60.9	147.1	175	26.2	-32.1	0	0	0	109.1	T516 L517 I518	P514-T516 PolarHBondContact O-N 3.32Å; P514-T516 VanDerWaalsContact O-N 3.09Å; P514-L517 HydrophobicContact CG-CB 3.77Å; P514-L517 WeakPolarHBondContact O-CB 3.48Å; P514-L517 PolarHBondContact O-N 2.9Å; P514-I518 PolarHBondContact O-N 3Å
515	S	84.1	Confident	80.3	Confident	84 Å²	84	55.2 Å²	55.2	59%	0.587	31%	0.305	S	S	*	.	H	α-helix	trans	-57.3	-29.3	-178.3	55.9	0	0	0	0	112.7	R519	S515-R519 VanDerWaalsContact O-CG 3.3Å; S515-R519 WeakPolarHBondContact O-CG 3.2Å; S515-R519 PolarHBondContact O-N 3.41Å
516	T	87.8	Confident	81.3	Confident	74 Å²	74	51.7 Å²	51.7	45%	0.454	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-41.2	173.2	50.8	0	0	0	0	112.3	M268 P514 R519 L520	M268-T516 WeakPolarHBondContact CE-OG1 3.4Å; P514-T516 PolarHBondContact O-N 3.32Å; P514-T516 VanDerWaalsContact O-N 3.09Å; T516-R519 PolarHBondContact O-N 3.48Å; T516-L520 WeakPolarHBondContact O-CG 3.3Å; T516-L520 PolarHBondContact O-N 3.28Å
517	L	89.1	Confident	82.4	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-71.1	-39.3	-178.8	-175.9	64.2	0	0	0	111	V266 M268 D277 L279 A513 P514 R519 L520 W521	V266-L517 HydrophobicContact CG1-CD1 4.3Å; M268-L517 HydrophobicContact CE-CB 3.76Å; M268-L517 HydrophobicContact CE-CD1 4.18Å; D277-L517 HydrophobicContact CB-CD2 4.45Å; L279-L517 HydrophobicContact CB-CD1 4.13Å; L279-L517 HydrophobicContact CB-CD2 3.87Å; L279-L517 HydrophobicContact CB-CG 3.9Å; A513-L517 HydrophobicContact CB-CD2 4.24Å; P514-L517 HydrophobicContact CG-CB 3.77Å; P514-L517 WeakPolarHBondContact O-CB 3.48Å; P514-L517 PolarHBondContact O-N 2.9Å; L517-R519 VanDerWaalsContact C-N 3.32Å; L517-R519 PolarHBondContact O-N 3.19Å; L517-L520 PolarHBondContact O-N 3.32Å; L517-W521 WeakPolarHBondContact O-CB 3.44Å; L517-W521 PolarHBondContact O-N 3.13Å
518	I	90.7	Very high	83.5	Confident	25 Å²	25	54.9 Å²	54.9	13%	0.128	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-42.1	173.5	-61.8	176	0	0	0	110.5	L316 Y332 A513 P514 W521 L522	L316-I518 HydrophobicContact CD2-CG2 3.71Å; Y332-I518 HydrophobicContact CD1-CD1 4.48Å; Y332-I518 HydrophobicContact CE1-CD1 3.92Å; A513-I518 HydrophobicContact CB-CD1 4.21Å; A513-I518 HydrophobicContact CB-CG1 3.87Å; P514-I518 PolarHBondContact O-N 3Å; I518-W521 WeakPolarHBondContact O-CB 3.34Å; I518-W521 PolarHBondContact O-N 3.39Å; I518-L522 HydrophobicContact CG2-CD1 4.09Å; I518-L522 HydrophobicContact CG2-CG 4.48Å; I518-L522 WeakPolarHBondContact O-CG 3.47Å; I518-L522 PolarHBondContact O-N 3.23Å
519	R	91.2	Very high	84.8	Confident	187 Å²	187	49.5 Å²	49.5	71%	0.706	28%	0.279	S	S	*	.	H	α-helix	trans	-64.6	-41	176.5	-74.2	176.7	-174.5	-137.7	1.3	112.7	S515 T516 L517 W521 L522 S523	S515-R519 VanDerWaalsContact O-CG 3.3Å; S515-R519 WeakPolarHBondContact O-CG 3.2Å; S515-R519 PolarHBondContact O-N 3.41Å; T516-R519 PolarHBondContact O-N 3.48Å; L517-R519 VanDerWaalsContact C-N 3.32Å; L517-R519 PolarHBondContact O-N 3.19Å; R519-W521 VanDerWaalsContact C-N 3.29Å; R519-W521 PolarHBondContact O-N 3.06Å; R519-L522 PolarHBondContact O-N 3.09Å; R519-S523 WeakPolarHBondContact O-CB 3.16Å; R519-S523 PolarHBondContact O-N 3Å
520	L	92	Very high	86	Confident	63 Å²	63	51.1 Å²	51.1	33%	0.33	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-40.1	174	-72.6	175.1	0	0	0	111.4	V266 M268 T516 L517 S523 E524	V266-L520 HydrophobicContact CG1-CB 3.62Å; M268-L520 HydrophobicContact CE-CD1 3.66Å; M268-L520 HydrophobicContact SD-CD1 3.65Å; T516-L520 WeakPolarHBondContact O-CG 3.3Å; T516-L520 PolarHBondContact O-N 3.28Å; L517-L520 PolarHBondContact O-N 3.32Å; L520-S523 PolarHBondContact O-N 3.28Å; L520-E524 PolarHBondContact O-N 3.2Å
521	W	94.2	Very high	87.2	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-46.1	176.1	174.6	42.3	0	0	0	112.5	V266 L279 S281 L316 A461 G463 L517 I518 R519 S523 E524 L525	V266-W521 HydrophobicContact CG1-CB 4.5Å; V266-W521 HydrophobicContact CG2-CB 4.49Å; L279-W521 HydrophobicContact CD1-CB 4.4Å; L279-W521 HydrophobicContact CD1-CD2 4.41Å; L279-W521 HydrophobicContact CD1-CE3 4.39Å; L279-W521 HydrophobicContact CD1-CG 4.42Å; L279-W521 HydrophobicContact CD2-CB 3.8Å; L279-W521 HydrophobicContact CD2-CD2 3.8Å; L279-W521 HydrophobicContact CD2-CG 3.4Å; S281-W521 VanDerWaalsContact CB-CD1 3.48Å; S281-W521 VanDerWaalsContact CB-NE1 3.32Å; S281-W521 PolarHBondContact OG-NE1 3.4Å; L316-W521 HydrophobicContact CD1-CH2 4.38Å; L316-W521 HydrophobicContact CD1-CZ3 3.76Å; A461-W521 HydrophobicContact CB-CZ2 4.18Å; G463-W521 VanDerWaalsContact N-CZ2 3.28Å; L517-W521 WeakPolarHBondContact O-CB 3.44Å; L517-W521 PolarHBondContact O-N 3.13Å; I518-W521 WeakPolarHBondContact O-CB 3.34Å; I518-W521 PolarHBondContact O-N 3.39Å; R519-W521 VanDerWaalsContact C-N 3.29Å; R519-W521 PolarHBondContact O-N 3.06Å; W521-S523 VanDerWaalsContact C-N 3.29Å; W521-S523 PolarHBondContact O-N 3.31Å; W521-E524 WeakPolarHBondContact O-CB 3.36Å; W521-E524 PolarHBondContact O-N 2.88Å; W521-E524 VanDerWaalsContact O-N 3.16Å; W521-L525 HydrophobicContact CD2-CD1 4.35Å; W521-L525 HydrophobicContact CZ2-CD1 3.77Å; W521-L525 PolarHBondContact O-N 3.41Å
522	L	93.1	Very high	88.2	Confident	22 Å²	22	50.7 Å²	50.7	12%	0.115	28%	0.282	C	S	.	.	H	α-helix	trans	-61.5	-39.5	175.4	-68.8	168.7	0	0	0	111.6	I518 R519 E524 L525 Q526 L537	I518-L522 HydrophobicContact CG2-CD1 4.09Å; I518-L522 HydrophobicContact CG2-CG 4.48Å; I518-L522 WeakPolarHBondContact O-CG 3.47Å; I518-L522 PolarHBondContact O-N 3.23Å; R519-L522 PolarHBondContact O-N 3.09Å; L522-E524 VanDerWaalsContact C-N 3.32Å; L522-E524 PolarHBondContact O-N 3.36Å; L522-L525 PolarHBondContact O-N 2.8Å; L522-Q526 VanDerWaalsContact O-CG 3.32Å; L522-Q526 WeakPolarHBondContact O-CG 3.39Å; L522-Q526 PolarHBondContact O-N 2.82Å; L522-L537 HydrophobicContact CD1-CD2 3.54Å; L522-L537 HydrophobicContact CD2-CD2 4.12Å; L522-L537 HydrophobicContact CG-CD2 4.48Å
523	S	92.4	Very high	88.8	Confident	63 Å²	63	51.4 Å²	51.4	44%	0.441	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-37.1	175	-173.3	0	0	0	0	112.6	R519 L520 W521 Q526 S527	R519-S523 WeakPolarHBondContact O-CB 3.16Å; R519-S523 PolarHBondContact O-N 3Å; L520-S523 PolarHBondContact O-N 3.28Å; W521-S523 VanDerWaalsContact C-N 3.29Å; W521-S523 PolarHBondContact O-N 3.31Å; S523-Q526 WeakPolarHBondContact O-CB 3.4Å; S523-Q526 PolarHBondContact O-N 3.44Å; S523-S527 PolarHBondContact O-N 2.77Å
524	E	91.9	Very high	89.1	Confident	32 Å²	32	54.3 Å²	54.3	15%	0.15	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-44.3	173.5	-171.8	-86.2	162.3	0	0	111.4	T264 V266 S281 L520 W521 L522 Q526 S527 K528	T264-E524 VanDerWaalsContact CB-OE1 3.28Å; T264-E524 WeakPolarHBondContact CB-OE1 3.46Å; T264-E524 PolarHBondContact OG1-OE1 2.89Å; T264-E524 PolarHBondContact OG1-OE2 3.14Å; V266-E524 HydrophobicContact CG2-CB 4.03Å; V266-E524 HydrophobicContact CG2-CG 4.09Å; S281-E524 VanDerWaalsContact CB-OE2 3.3Å; S281-E524 WeakPolarHBondContact CB-OE2 3.45Å; S281-E524 PolarHBondContact OG-OE2 3.34Å; L520-E524 PolarHBondContact O-N 3.2Å; W521-E524 WeakPolarHBondContact O-CB 3.36Å; W521-E524 PolarHBondContact O-N 2.88Å; W521-E524 VanDerWaalsContact O-N 3.16Å; L522-E524 VanDerWaalsContact C-N 3.32Å; L522-E524 PolarHBondContact O-N 3.36Å; E524-Q526 VanDerWaalsContact C-N 3.32Å; E524-Q526 PolarHBondContact O-N 3.27Å; E524-S527 WeakPolarHBondContact O-CB 2.96Å; E524-S527 PolarHBondContact O-N 3.26Å; E524-S527 PolarHBondContact O-OG 3.47Å; E524-K528 PolarHBondContact O-N 2.96Å; E524-K528 VanDerWaalsContact OE1-CD 3.29Å; E524-K528 WeakPolarHBondContact OE1-CD 3.43Å; E524-K528 WeakPolarHBondContact OE1-CE 3.49Å; E524-K528 IonicContact OE1-NZ 2.69Å; E524-K528 PolarHBondContact OE1-NZ 3.29Å
525	L	92.1	Very high	89.2	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-40.3	174.5	-71	179.7	0	0	0	112	S281 Q283 L334 A461 W521 L522 S527 K528 N529 L532	S281-L525 WeakPolarHBondContact OG-CD2 3.41Å; Q283-L525 HydrophobicContact CB-CD2 4.43Å; L334-L525 HydrophobicContact CD2-CD1 4.38Å; A461-L525 HydrophobicContact CB-CD1 3.78Å; A461-L525 HydrophobicContact CB-CD2 4.12Å; W521-L525 HydrophobicContact CD2-CD1 4.35Å; W521-L525 HydrophobicContact CZ2-CD1 3.77Å; W521-L525 PolarHBondContact O-N 3.41Å; L522-L525 PolarHBondContact O-N 2.8Å; L525-S527 VanDerWaalsContact C-N 3.34Å; L525-S527 PolarHBondContact O-N 3.22Å; L525-K528 PolarHBondContact O-N 2.84Å; L525-N529 PolarHBondContact O-N 3.2Å; L525-L532 HydrophobicContact CB-CD2 4.37Å
526	Q	91.2	Very high	89.4	Confident	71 Å²	71	50.6 Å²	50.6	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-60.4	-42.7	173.8	-73.9	170.4	-29.6	0	0	111.9	L522 S523 E524 K528 N529 L532 D533	L522-Q526 VanDerWaalsContact O-CG 3.32Å; L522-Q526 WeakPolarHBondContact O-CG 3.39Å; L522-Q526 PolarHBondContact O-N 2.82Å; S523-Q526 WeakPolarHBondContact O-CB 3.4Å; S523-Q526 PolarHBondContact O-N 3.44Å; E524-Q526 VanDerWaalsContact C-N 3.32Å; E524-Q526 PolarHBondContact O-N 3.27Å; Q526-K528 PolarHBondContact O-N 3.27Å; Q526-N529 CarbonylContact O-C 3.58Å; Q526-N529 PolarHBondContact O-N 3.45Å; Q526-L532 HydrophobicContact CG-CB 4.22Å; Q526-L532 HydrophobicContact CG-CD2 3.7Å; Q526-L532 HydrophobicContact CG-CG 4.39Å; Q526-D533 PolarHBondContact NE2-OD1 3.23Å
527	S	90.1	Very high	89.5	Confident	95 Å²	95	49.4 Å²	49.4	66%	0.664	26%	0.264	S	S	*	.	H	α-helix	trans	-61.5	-33.2	179.6	78.3	0	0	0	0	112.6	S523 E524 L525	S523-S527 PolarHBondContact O-N 2.77Å; E524-S527 WeakPolarHBondContact O-CB 2.96Å; E524-S527 PolarHBondContact O-N 3.26Å; E524-S527 PolarHBondContact O-OG 3.47Å; L525-S527 VanDerWaalsContact C-N 3.34Å; L525-S527 PolarHBondContact O-N 3.22Å
528	K	87.4	Confident	89.4	Confident	52 Å²	52	50.8 Å²	50.8	23%	0.226	27%	0.272	C	S	.	.	H	α-helix	trans	-83.6	-30.2	176	-75.1	180	168.1	171.3	0	113.4	T264 E524 L525 Q526	T264-K528 PolarHBondContact OG1-NZ 3.01Å; E524-K528 PolarHBondContact O-N 2.96Å; E524-K528 VanDerWaalsContact OE1-CD 3.29Å; E524-K528 WeakPolarHBondContact OE1-CD 3.43Å; E524-K528 WeakPolarHBondContact OE1-CE 3.49Å; E524-K528 IonicContact OE1-NZ 2.69Å; E524-K528 PolarHBondContact OE1-NZ 3.29Å; L525-K528 PolarHBondContact O-N 2.84Å; Q526-K528 PolarHBondContact O-N 3.27Å
529	N	87	Confident	89.2	Confident	9 Å²	9	53.4 Å²	53.4	5%	0.048	29%	0.285	C	S	.	.			trans	-142.4	92.4	-175.4	-163.8	-15.9	0	0	0	111.1	R288 L525 Q526 F531 L532	R288-N529 WeakPolarHBondContact CA-ND2 3.42Å; R288-N529 PolarHBondContact O-ND2 2.95Å; L525-N529 PolarHBondContact O-N 3.2Å; Q526-N529 CarbonylContact O-C 3.58Å; Q526-N529 PolarHBondContact O-N 3.45Å; N529-F531 PolarHBondContact O-N 3.13Å; N529-F531 VanDerWaalsContact O-N 3.15Å; N529-F531 WeakPolarHBondContact OD1-CB 3.44Å; N529-F531 VanDerWaalsContact OD1-CD2 3.29Å; N529-F531 WeakPolarHBondContact OD1-CD2 3.41Å; N529-F531 PolarHBondContact OD1-N 3.16Å; N529-L532 PolarHBondContact O-N 3.37Å
530	P	87.6	Confident	88.6	Confident	87 Å²	87	47.4 Å²	47.4	57%	0.565	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-66.8	-16.1	-176.3	26.6	-34.8	0	0	0	113.5	L532 D533	P530-L532 PolarHBondContact O-N 2.98Å; P530-L532 VanDerWaalsContact O-N 3.1Å; P530-D533 PolarHBondContact O-N 3.09Å
531	F	85.9	Confident	87.8	Confident	59 Å²	59	47.4 Å²	47.4	26%	0.259	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-63.5	-14.3	176.1	-67.5	-72.9	0	0	0	113.1	L291 A292 T295 N529 D533 D534	L291-F531 HydrophobicContact CD2-CB 3.62Å; A292-F531 HydrophobicContact CB-CD2 3.45Å; A292-F531 VanDerWaalsContact CB-CD2 3.45Å; A292-F531 HydrophobicContact CB-CE2 3.71Å; A292-F531 HydrophobicContact CB-CG 3.98Å; A292-F531 HydrophobicContact CB-CZ 4.4Å; T295-F531 HydrophobicContact CG2-CB 4.31Å; T295-F531 VanDerWaalsContact CG2-O 3.3Å; T295-F531 WeakPolarHBondContact CG2-O 3.49Å; N529-F531 PolarHBondContact O-N 3.13Å; N529-F531 VanDerWaalsContact O-N 3.15Å; N529-F531 WeakPolarHBondContact OD1-CB 3.44Å; N529-F531 VanDerWaalsContact OD1-CD2 3.29Å; N529-F531 WeakPolarHBondContact OD1-CD2 3.41Å; N529-F531 PolarHBondContact OD1-N 3.16Å; F531-D533 PolarHBondContact O-N 3.4Å; F531-D534 PolarHBondContact O-N 3.17Å
532	L	87	Confident	86.2	Confident	16 Å²	16	50.8 Å²	50.8	8%	0.084	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-62.7	-28.8	175.6	-169	72.1	0	0	0	112.3	L291 I314 L334 L525 Q526 N529 P530 D534 A535	L291-L532 HydrophobicContact CD1-CD1 3.79Å; L291-L532 HydrophobicContact CD2-CB 4.48Å; I314-L532 HydrophobicContact CD1-CD1 3.56Å; L334-L532 HydrophobicContact CD2-CD1 4.04Å; L525-L532 HydrophobicContact CB-CD2 4.37Å; Q526-L532 HydrophobicContact CG-CB 4.22Å; Q526-L532 HydrophobicContact CG-CD2 3.7Å; Q526-L532 HydrophobicContact CG-CG 4.39Å; N529-L532 PolarHBondContact O-N 3.37Å; P530-L532 PolarHBondContact O-N 2.98Å; P530-L532 VanDerWaalsContact O-N 3.1Å; L532-D534 VanDerWaalsContact C-N 3.26Å; L532-D534 PolarHBondContact O-N 3.11Å; L532-A535 WeakPolarHBondContact O-CB 3.27Å; L532-A535 PolarHBondContact O-N 3.04Å; L532-A535 VanDerWaalsContact O-N 3.13Å
533	D	86.5	Confident	84.5	Confident	84 Å²	84	51.6 Å²	51.6	45%	0.449	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-70.8	-23.8	-179.8	-70.5	-16.8	0	0	0	113.2	K311 Q526 P530 F531 A535	K311-D533 PolarHBondContact NZ-O 2.75Å; Q526-D533 PolarHBondContact NE2-OD1 3.23Å; P530-D533 PolarHBondContact O-N 3.09Å; F531-D533 PolarHBondContact O-N 3.4Å; D533-A535 PolarHBondContact O-N 3.34Å
534	D	86.3	Confident	82.5	Confident	70 Å²	70	53.7 Å²	53.7	37%	0.374	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-77.4	-9.5	175.3	-64.4	-34.9	0	0	0	111.9	T295 K311 P312 F531 L532	T295-D534 HydrophobicContact CG2-CB 4.5Å; K311-D534 WeakPolarHBondContact CB-O 3.41Å; K311-D534 WeakPolarHBondContact CD-O 3.42Å; K311-D534 VanDerWaalsContact CG-O 3.26Å; K311-D534 WeakPolarHBondContact CG-O 3.47Å; P312-D534 WeakPolarHBondContact CD-O 3.41Å; F531-D534 PolarHBondContact O-N 3.17Å; L532-D534 VanDerWaalsContact C-N 3.26Å; L532-D534 PolarHBondContact O-N 3.11Å
535	A	86.5	Confident	80.3	Confident	12 Å²	12	54.5 Å²	54.5	10%	0.099	31%	0.306	C	S	.	.	S	Bend	trans	-97.5	156	179.1	0	0	0	0	0	113.7	T295 P312 I314 L532 D533	T295-A535 HydrophobicContact CG2-CB 4.41Å; P312-A535 HydrophobicContact CG-CB 3.9Å; P312-A535 CarbonylContact O-C 3.49Å; P312-A535 WeakPolarHBondContact O-CA 3.43Å; P312-A535 WeakPolarHBondContact O-CB 3.38Å; I314-A535 HydrophobicContact CD1-CB 3.28Å; I314-A535 HydrophobicContact CG1-CB 3.75Å; L532-A535 WeakPolarHBondContact O-CB 3.27Å; L532-A535 PolarHBondContact O-N 3.04Å; L532-A535 VanDerWaalsContact O-N 3.13Å; D533-A535 PolarHBondContact O-N 3.34Å
536	A	87.7	Confident	78.2	Confident	36 Å²	36	59.2 Å²	59.2	30%	0.298	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.4	169.3	0	0	0	0	0	109.1	K311 P312 T313 I314	K311-A536 HydrophobicContact CB-CB 3.94Å; P312-A536 PolarHBondContact O-N 3.44Å; T313-A536 WeakPolarHBondContact CA-O 3.47Å; I314-A536 PolarHBondContact N-O 3.34Å
537	L	89.1	Confident	75.7	Confident	49 Å²	49	62.9 Å²	62.9	26%	0.257	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.8	177	-175	68.2	0	0	0	110.2	I314 L316 L334 L522	I314-L537 HydrophobicContact CB-CD1 4.42Å; I314-L537 HydrophobicContact CG2-CD1 4.22Å; I314-L537 CarbonylContact O-C 3.54Å; I314-L537 WeakPolarHBondContact O-CA 3.28Å; L316-L537 HydrophobicContact CB-CD1 4.11Å; L334-L537 HydrophobicContact CD1-CD1 3.57Å; L522-L537 HydrophobicContact CD1-CD2 3.54Å; L522-L537 HydrophobicContact CD2-CD2 4.12Å; L522-L537 HydrophobicContact CG-CD2 4.48Å
538	I	88.6	Confident	73.2	Confident	31 Å²	31	60.8 Å²	60.8	16%	0.159	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123	175.9	-64.1	-172.5	0	0	0	109.5	T313 I314 Y315 L316 Y575	T313-I538 HydrophobicContact CG2-CB 4.35Å; T313-I538 HydrophobicContact CG2-CD1 3.32Å; T313-I538 HydrophobicContact CG2-CG1 3.78Å; I314-I538 PolarHBondContact O-N 3.31Å; Y315-I538 CarbonylContact C-O 3.57Å; Y315-I538 WeakPolarHBondContact CA-O 3.24Å; Y315-I538 HydrophobicContact CD1-CB 3.86Å; Y315-I538 HydrophobicContact CD1-CG2 3.91Å; Y315-I538 HydrophobicContact CE1-CB 4.04Å; Y315-I538 HydrophobicContact CE1-CD1 4.12Å; Y315-I538 HydrophobicContact CE1-CG2 3.99Å; L316-I538 PolarHBondContact N-O 2.97Å; I538-Y575 WeakPolarHBondContact CA-O 3.3Å
539	I	85.7	Confident	70.9	Confident	79 Å²	79	63.8 Å²	63.8	41%	0.405	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	121.3	174.7	-53.6	-179.7	0	0	0	108.8	L316 V541 Y575	L316-I539 HydrophobicContact CB-CG1 4.46Å; L316-I539 HydrophobicContact CD2-CD1 4.49Å; L316-I539 HydrophobicContact CD2-CG1 4.21Å; I539-V541 HydrophobicContact CG2-CG2 4.34Å; I539-Y575 PolarHBondContact N-O 2.76Å; I539-Y575 PolarHBondContact O-N 3.22Å; I539-Y575 VanDerWaalsContact O-N 3.09Å
540	R	78.4	Confident	68.4	Low	61 Å²	61	72 Å²	72	23%	0.23	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.2	172.9	-71.4	-170.3	171.2	-157.5	-0.4	109.5	Y315 L316 W335 Y572	Y315-R540 HydrophobicContact CD1-CG 4.02Å; L316-R540 PolarHBondContact O-N 3.22Å; W335-R540 VanDerWaalsContact CZ2-CZ 3.4Å; R540-Y572 HydrophobicContact CB-CD1 3.85Å; R540-Y572 HydrophobicContact CB-CG 4.32Å
541	V	74.3	Confident	65.9	Low	63 Å²	63	72.3 Å²	72.3	38%	0.382	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.3	171.4	-177.3	0	0	0	0	108.4	I539 V543 Y572 K573 Y575	I539-V541 HydrophobicContact CG2-CG2 4.34Å; V541-V543 PolarHBondContact O-N 3.5Å; V541-Y572 WeakPolarHBondContact O-CA 3.32Å; V541-K573 PolarHBondContact N-O 3.06Å; V541-K573 PolarHBondContact O-N 3.43Å; V541-Y575 HydrophobicContact CB-CD2 4.47Å; V541-Y575 HydrophobicContact CB-CE2 4.15Å; V541-Y575 HydrophobicContact CG2-CD2 3.86Å; V541-Y575 HydrophobicContact CG2-CE2 3.89Å
542	P	62	Low	63.4	Low	71 Å²	71	76.7 Å²	76.7	46%	0.461	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	124.7	175	25.4	-32.2	0	0	0	109.4	N544 I570 Y572	P542-N544 PolarHBondContact O-N 3.39Å; P542-I570 HydrophobicContact CB-CG2 4.11Å; P542-Y572 HydrophobicContact CB-CD1 4.43Å; P542-Y572 HydrophobicContact CB-CE1 4.24Å
543	V	56.9	Low	60.6	Low	40 Å²	40	82.2 Å²	82.2	24%	0.242	44%	0.438	C	S	.	.			trans	-78.2	117.8	173.6	-176.7	0	0	0	0	107.7	V541 V545 R571 K573	V541-V543 PolarHBondContact O-N 3.5Å; V543-V545 PolarHBondContact O-N 3.17Å; V543-R571 VanDerWaalsContact CB-O 3.25Å; V543-R571 WeakPolarHBondContact CB-O 3.44Å; V543-R571 WeakPolarHBondContact CG2-O 3.26Å; V543-R571 PolarHBondContact N-O 3.45Å; V543-K573 HydrophobicContact CG2-CB 3.84Å; V543-K573 HydrophobicContact CG2-CD 3.92Å; V543-K573 HydrophobicContact CG2-CG 3.56Å
544	N	49.5	Very low	57.9	Low	107 Å²	107	85.3 Å²	85.3	57%	0.572	46%	0.455	S	S	*	.			trans	-70.9	104.1	170.8	-152	-9.5	0	0	0	108	P542 D546 Q547	P542-N544 PolarHBondContact O-N 3.39Å; N544-D546 PolarHBondContact O-N 2.8Å; N544-Q547 PolarHBondContact O-N 3.23Å
545	V	47.1	Very low	55.2	Low	48 Å²	48	88.5 Å²	88.5	29%	0.291	47%	0.472	S	S	.	.	H	α-helix	trans	-57.5	-18.7	-173.9	179.3	0	0	0	0	112.4	V543 Q547 S548	V543-V545 PolarHBondContact O-N 3.17Å; V545-Q547 PolarHBondContact O-N 3.34Å; V545-S548 PolarHBondContact O-N 2.75Å; V545-S548 PolarHBondContact O-OG 3.1Å
546	D	47.8	Very low	52.4	Low	103 Å²	103	99.7 Å²	99.7	55%	0.551	51%	0.512	S	S	*	.	H	α-helix	trans	-65.6	-21.7	175.6	-68.9	-7.1	0	0	0	113.9	N544	N544-D546 PolarHBondContact O-N 2.8Å
547	Q	38.8	Very low	49.5	Very low	149 Å²	149	103.7 Å²	103.7	70%	0.696	53%	0.533	S	S	*	.	H	α-helix	trans	-88.7	-30.4	178.7	-69.8	-173.1	0.2	0	0	113.3	N544 V545 K550	N544-Q547 PolarHBondContact O-N 3.23Å; V545-Q547 PolarHBondContact O-N 3.34Å; Q547-K550 PolarHBondContact O-N 3.3Å
548	S	37.5	Very low	46.6	Very low	51 Å²	51	107.9 Å²	107.9	36%	0.357	56%	0.555	S	S	.	*	H	α-helix	trans	-70.7	-32.3	177.3	45.5	0	0	0	0	112.5	V545 K550 S551 E552	V545-S548 PolarHBondContact O-N 2.75Å; V545-S548 PolarHBondContact O-OG 3.1Å; S548-K550 VanDerWaalsContact C-N 3.3Å; S548-K550 PolarHBondContact O-N 3.24Å; S548-S551 PolarHBondContact O-N 3.43Å; S548-S551 PolarHBondContact O-OG 3.46Å; S548-S551 VanDerWaalsContact O-OG 3.06Å; S548-E552 PolarHBondContact O-N 2.85Å
549	Q	38.7	Very low	43.7	Very low	115 Å²	115	113.1 Å²	113.1	54%	0.537	58%	0.584	S	S	.	*	H	α-helix	trans	-72.3	-22.3	176.9	-68.1	-170.5	-18.6	0	0	113.3	N553	Q549-N553 WeakPolarHBondContact O-CB 3.32Å
550	K	35.6	Very low	41	Very low	182 Å²	182	116.9 Å²	116.9	79%	0.791	61%	0.605	S	S	*	*	H	α-helix	trans	-80.3	-25.1	176.2	-78.8	-174.6	177.5	-179.2	0	113.7	Q547 S548	Q547-K550 PolarHBondContact O-N 3.3Å; S548-K550 VanDerWaalsContact C-N 3.3Å; S548-K550 PolarHBondContact O-N 3.24Å
551	S	33.6	Very low	38.5	Very low	92 Å²	92	121.3 Å²	121.3	64%	0.643	63%	0.632	S	S	*	*	H	α-helix	trans	-83.7	-24.1	177.7	47.8	0	0	0	0	113.8	S548	S548-S551 PolarHBondContact O-N 3.43Å; S548-S551 PolarHBondContact O-OG 3.46Å; S548-S551 VanDerWaalsContact O-OG 3.06Å
552	E	33.7	Very low	36.2	Very low	152 Å²	152	126.5 Å²	126.5	71%	0.71	65%	0.652	S	S	*	*	H	α-helix	trans	-97.9	-15.8	-176.6	-71.8	-175.6	163.9	0	0	114.4	S548 N554	S548-E552 PolarHBondContact O-N 2.85Å; E552-N554 VanDerWaalsContact C-N 3.28Å; E552-N554 PolarHBondContact O-N 3.46Å; E552-N554 VanDerWaalsContact O-N 3.17Å
553	N	29	Very low	34.4	Very low	131 Å²	131	132.1 Å²	132.1	70%	0.701	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	17.3	-175.1	-82.3	0.8	0	0	0	116.3	Q549	Q549-N553 WeakPolarHBondContact O-CB 3.32Å
554	N	29	Very low	33	Very low	149 Å²	149	137.6 Å²	137.6	80%	0.797	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-0.8	170.4	-89.5	-0.8	0	0	0	114.4	E552	E552-N554 VanDerWaalsContact C-N 3.28Å; E552-N554 PolarHBondContact O-N 3.46Å; E552-N554 VanDerWaalsContact O-N 3.17Å
555	N	29.2	Very low	31.9	Very low	138 Å²	138	140.3 Å²	140.3	74%	0.738	71%	0.707	S	S	*	*	S	Bend	trans	-147.3	89.2	175.8	-76.2	-40.2	0	0	0	110.8
556	R	29.1	Very low	31	Very low	246 Å²	246	145.4 Å²	145.4	93%	0.928	73%	0.727	S	S	*	*			trans	172.7	125.3	134.6	-92.8	156.7	-171.7	-164.2	2.3	111.2
557	T	26.4	Very low	30.1	Very low	121 Å²	121	147.8 Å²	147.8	74%	0.742	74%	0.74	S	S	*	*			trans	-67	146.2	169.1	40.1	0	0	0	0	111.9
558	D	28.3	Very low	30	Very low	136 Å²	136	148.3 Å²	148.3	73%	0.727	74%	0.74	S	S	*	*			trans	69.4	117.6	151.8	-52.5	-19.4	0	0	0	120.2
559	D	26.5	Very low	29.8	Very low	142 Å²	142	152.8 Å²	152.8	76%	0.759	76%	0.76	S	S	*	*			trans	55.5	100.1	137.1	-58.1	-18.8	0	0	0	119.4
560	D	30.2	Very low	30	Very low	157 Å²	157	152.2 Å²	152.2	84%	0.84	76%	0.76	S	S	*	*				-177.5	120.4	110.6	-94.3	-28.1	0	0	0	111.6	H562	D560-H562 PolarHBondContact O-N 3.48Å
561	L	25.1	Very low	30	Very low	155 Å²	155	153.2 Å²	153.2	81%	0.812	76%	0.759	S	S	*	*			trans	-82.2	86.3	-178.8	-77.4	157.8	0	0	0	110.9	F563	L561-F563 HydrophobicContact CD2-CE2 4.07Å
562	H	25.6	Very low	30.6	Very low	172 Å²	172	153.1 Å²	153.1	80%	0.796	75%	0.745	S	S	*	*			trans	-105.2	99	162.2	-93.8	-77.2	0	0	0	110.7	D560 E564	D560-H562 PolarHBondContact O-N 3.48Å; H562-E564 VanDerWaalsContact C-N 3.32Å; H562-E564 PolarHBondContact O-N 2.83Å
563	F	24.8	Very low	31.1	Very low	188 Å²	188	151.9 Å²	151.9	83%	0.825	74%	0.737	S	S	*	*			trans	-71.3	83.2	168.1	-84.5	-90.2	0	0	0	109.7	L561	L561-F563 HydrophobicContact CD2-CE2 4.07Å
564	E	27.2	Very low	31.7	Very low	156 Å²	156	149.4 Å²	149.4	73%	0.729	73%	0.73	S	S	*	*			trans	-83.2	122.4	160.4	-78.6	-168.2	156.3	0	0	109.4	H562 Q566	H562-E564 VanDerWaalsContact C-N 3.32Å; H562-E564 PolarHBondContact O-N 2.83Å; E564-Q566 PolarHBondContact O-N 2.95Å
565	N	26.4	Very low	32.7	Very low	164 Å²	164	148.8 Å²	148.8	88%	0.877	72%	0.718	S	S	*	*			trans	-64.3	80	169.5	-73.6	-33.6	0	0	0	109	D567	N565-D567 PolarHBondContact O-N 3.11Å
566	Q	28	Very low	33.2	Very low	154 Å²	154	150 Å²	150	72%	0.72	74%	0.737	S	S	*	*			trans	-75.4	110.9	159.4	-74.3	179.9	1.1	0	0	106.4	E564 K568	E564-Q566 PolarHBondContact O-N 2.95Å; Q566-K568 VanDerWaalsContact C-N 3.34Å; Q566-K568 PolarHBondContact O-N 3.36Å
567	D	30.6	Very low	33.4	Very low	154 Å²	154	145.2 Å²	145.2	82%	0.824	73%	0.727	S	S	*	*			trans	-44.1	108.6	154.5	-78	-39.1	0	0	0	106.1	N565 D569	N565-D567 PolarHBondContact O-N 3.11Å; D567-D569 PolarHBondContact O-N 2.92Å
568	K	35.3	Very low	33.8	Very low	160 Å²	160	146.5 Å²	146.5	70%	0.696	73%	0.726	S	S	*	*			trans	-70.2	86.9	-174.6	-73.2	-176.1	177.6	-177.1	0	107	Q566 I570	Q566-K568 VanDerWaalsContact C-N 3.34Å; Q566-K568 PolarHBondContact O-N 3.36Å; K568-I570 PolarHBondContact O-N 3.31Å
569	D	34.1	Very low	34.1	Very low	144 Å²	144	147.1 Å²	147.1	77%	0.77	73%	0.726	S	S	*	*			trans	-50	114.4	162.6	-90.3	-20.2	0	0	0	106.9	D567 R571	D567-D569 PolarHBondContact O-N 2.92Å; D569-R571 PolarHBondContact O-N 3.47Å
570	I	41.8	Very low	34.5	Very low	104 Å²	104	147.4 Å²	147.4	53%	0.533	72%	0.724	S	S	.	*			trans	-62	103.6	176.2	-61.6	168.9	0	0	0	105.7	P542 K568 Y572	P542-I570 HydrophobicContact CB-CG2 4.11Å; K568-I570 PolarHBondContact O-N 3.31Å; I570-Y572 HydrophobicContact CB-CE2 4.23Å; I570-Y572 HydrophobicContact CG2-CE1 4.37Å; I570-Y572 HydrophobicContact CG2-CE2 4.04Å; I570-Y572 WeakPolarHBondContact O-CD2 3.43Å; I570-Y572 VanDerWaalsContact O-CE2 3.31Å; I570-Y572 WeakPolarHBondContact O-CE2 3.18Å; I570-Y572 PolarHBondContact O-N 3.13Å
571	R	37	Very low	34.8	Very low	202 Å²	202	146.8 Å²	146.8	76%	0.762	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-69.8	126.1	173.6	-75	-167.4	-166	-174.3	6.2	108.6	V543 D569	V543-R571 VanDerWaalsContact CB-O 3.25Å; V543-R571 WeakPolarHBondContact CB-O 3.44Å; V543-R571 WeakPolarHBondContact CG2-O 3.26Å; V543-R571 PolarHBondContact N-O 3.45Å; D569-R571 PolarHBondContact O-N 3.47Å
572	Y	45.5	Very low	35.4	Very low	91 Å²	91	146.2 Å²	146.2	36%	0.357	71%	0.711	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.1	138.4	171.7	-65	-90.1	0	0	0	109.7	R540 V541 P542 I570	R540-Y572 HydrophobicContact CB-CD1 3.85Å; R540-Y572 HydrophobicContact CB-CG 4.32Å; V541-Y572 WeakPolarHBondContact O-CA 3.32Å; P542-Y572 HydrophobicContact CB-CD1 4.43Å; P542-Y572 HydrophobicContact CB-CE1 4.24Å; I570-Y572 HydrophobicContact CB-CE2 4.23Å; I570-Y572 HydrophobicContact CG2-CE1 4.37Å; I570-Y572 HydrophobicContact CG2-CE2 4.04Å; I570-Y572 WeakPolarHBondContact O-CD2 3.43Å; I570-Y572 VanDerWaalsContact O-CE2 3.31Å; I570-Y572 WeakPolarHBondContact O-CE2 3.18Å; I570-Y572 PolarHBondContact O-N 3.13Å
573	K	44.3	Very low	36.1	Very low	126 Å²	126	144.4 Å²	144.4	55%	0.548	71%	0.705	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94	126.4	161.3	-90.4	177.6	-176.6	-177.6	0	107.6	V541 V543 Y575	V541-K573 PolarHBondContact N-O 3.06Å; V541-K573 PolarHBondContact O-N 3.43Å; V543-K573 HydrophobicContact CG2-CB 3.84Å; V543-K573 HydrophobicContact CG2-CD 3.92Å; V543-K573 HydrophobicContact CG2-CG 3.56Å; K573-Y575 HydrophobicContact CB-CE2 4.21Å
574	S	42.3	Very low	37	Very low	79 Å²	79	141 Å²	141	55%	0.552	70%	0.695	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.7	127.9	174.7	46.2	0	0	0	0	110.3
575	Y	48.9	Very low	37.8	Very low	136 Å²	136	139.8 Å²	139.8	53%	0.533	69%	0.693	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.8	130.6	167.1	-63	-87.5	0	0	0	108.8	I538 I539 V541 K573	I538-Y575 WeakPolarHBondContact CA-O 3.3Å; I539-Y575 PolarHBondContact N-O 2.76Å; I539-Y575 PolarHBondContact O-N 3.22Å; I539-Y575 VanDerWaalsContact O-N 3.09Å; V541-Y575 HydrophobicContact CB-CD2 4.47Å; V541-Y575 HydrophobicContact CB-CE2 4.15Å; V541-Y575 HydrophobicContact CG2-CD2 3.86Å; V541-Y575 HydrophobicContact CG2-CE2 3.89Å; K573-Y575 HydrophobicContact CB-CE2 4.21Å
576	S	39.9	Very low	38.9	Very low	163 Å²	163	137.5 Å²	137.5	100%	1.14	68%	0.676	S	S	*	*			trans	-79.4	0	173.8	64.5	0	0	0	0	112.1

Retrieved 576 of 576 residues in 199.7 ms (Link to these results)

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