A0A3Q0KDQ5_SCHMA Loading...

Rho-GAP domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KDQ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 716 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	46.7	Very low	55.5	Low	242 Å²	242	135 Å²	135	100%	1.192	66%	0.655	S	S	*	*				0	161.7	0	-71.2	176.4	174.2	0	0	109	H3	M1-H3 PolarHBondContact O-N 3.36Å
2	I	50.2	Low	55.2	Low	152 Å²	152	134.3 Å²	134.3	78%	0.779	65%	0.646	S	S	*	*			trans	-76.7	119.3	-157.8	-57.2	172.3	0	0	0	112.5	M4	I2-M4 HydrophobicContact CG2-CE 4.19Å; I2-M4 HydrophobicContact CG2-CG 4.34Å; I2-M4 PolarHBondContact O-N 2.94Å; I2-M4 VanDerWaalsContact O-N 3.16Å
3	H	53.5	Low	54.8	Low	176 Å²	176	130.2 Å²	130.2	82%	0.815	64%	0.638	S	S	*	*			trans	-84.3	81.5	178.3	-174.8	-80.6	0	0	0	111.3	M1	M1-H3 PolarHBondContact O-N 3.36Å
4	M	57.9	Low	54.5	Low	142 Å²	142	125.6 Å²	125.6	70%	0.7	62%	0.621	S	S	*	*			trans	-67.5	127.8	175	-83.6	-74	162.7	0	0	111.3	I2	I2-M4 HydrophobicContact CG2-CE 4.19Å; I2-M4 HydrophobicContact CG2-CG 4.34Å; I2-M4 PolarHBondContact O-N 2.94Å; I2-M4 VanDerWaalsContact O-N 3.16Å
5	P	62.8	Low	54.1	Low	66 Å²	66	122.5 Å²	122.5	43%	0.429	62%	0.616	S	S	.	*			trans	-74.1	134.6	-172.5	28.4	-34.3	0	0	0	112.7	F7 E8	P5-F7 PolarHBondContact O-N 3.08Å; P5-F7 VanDerWaalsContact O-N 3.1Å; P5-E8 HydrophobicContact CG-CB 4.3Å; P5-E8 PolarHBondContact O-N 3.1Å
6	L	62.8	Low	53.7	Low	130 Å²	130	128.5 Å²	128.5	68%	0.681	63%	0.629	S	S	*	*	H	α-helix	trans	-50.3	-38.5	-179.8	-164	80.4	0	0	0	113	E8 N9 I10	L6-E8 VanDerWaalsContact C-N 3.28Å; L6-E8 PolarHBondContact O-N 3.44Å; L6-N9 PolarHBondContact O-N 3.35Å; L6-I10 HydrophobicContact CD2-CD1 4.25Å; L6-I10 HydrophobicContact CG-CD1 4.27Å; L6-I10 WeakPolarHBondContact O-CG1 3.39Å; L6-I10 PolarHBondContact O-N 3.1Å
7	F	56.2	Low	53.2	Low	155 Å²	155	131.1 Å²	131.1	68%	0.68	63%	0.63	S	S	*	*	H	α-helix	trans	-60.5	-30.3	-179.7	-75.3	-80.5	0	0	0	114.3	P5 I10 R11	P5-F7 PolarHBondContact O-N 3.08Å; P5-F7 VanDerWaalsContact O-N 3.1Å; F7-I10 PolarHBondContact O-N 3.1Å; F7-R11 PolarHBondContact O-N 2.94Å
8	E	55.7	Low	52.6	Low	77 Å²	77	132.1 Å²	132.1	36%	0.36	63%	0.633	S	S	.	*	H	α-helix	trans	-77.2	-30.3	-178.7	-152.4	53.5	-135.3	0	0	111.5	P5 L6 R11 K12	P5-E8 HydrophobicContact CG-CB 4.3Å; P5-E8 PolarHBondContact O-N 3.1Å; L6-E8 VanDerWaalsContact C-N 3.28Å; L6-E8 PolarHBondContact O-N 3.44Å; E8-R11 IonicContact OE2-NH1 2.69Å; E8-K12 WeakPolarHBondContact O-CB 3.45Å; E8-K12 WeakPolarHBondContact O-CG 3.41Å; E8-K12 PolarHBondContact O-N 2.97Å
9	N	53.9	Low	51.7	Low	95 Å²	95	128.9 Å²	128.9	51%	0.508	64%	0.639	S	S	.	*	H	α-helix	trans	-70.8	-37.6	167.7	-73.4	-29.6	0	0	0	111.6	L6 K12 C13	L6-N9 PolarHBondContact O-N 3.35Å; N9-K12 PolarHBondContact O-N 2.63Å; N9-C13 VanDerWaalsContact O-CB 3.32Å; N9-C13 WeakPolarHBondContact O-CB 3.17Å; N9-C13 PolarHBondContact O-N 2.82Å; N9-C13 PolarHBondContact O-SG 3.24Å; N9-C13 VanDerWaalsContact O-SG 3.35Å
10	I	59	Low	51	Low	84 Å²	84	128.6 Å²	128.6	43%	0.431	64%	0.639	S	S	.	*	H	α-helix	trans	-61.8	-46.7	172.6	-65.6	168.1	0	0	0	110.3	L6 F7 K12 C13 V14	L6-I10 HydrophobicContact CD2-CD1 4.25Å; L6-I10 HydrophobicContact CG-CD1 4.27Å; L6-I10 WeakPolarHBondContact O-CG1 3.39Å; L6-I10 PolarHBondContact O-N 3.1Å; F7-I10 PolarHBondContact O-N 3.1Å; I10-K12 PolarHBondContact O-N 3.38Å; I10-C13 PolarHBondContact O-N 3.01Å; I10-V14 HydrophobicContact CG2-CG2 4.37Å; I10-V14 WeakPolarHBondContact O-CG2 3.43Å; I10-V14 PolarHBondContact O-N 3.41Å
11	R	51.9	Low	50.6	Low	166 Å²	166	127.4 Å²	127.4	63%	0.626	64%	0.643	S	S	*	*	H	α-helix	trans	-58.2	-47.6	174.3	-79.2	179	169	174.4	-4.2	111.9	F7 E8 C13 V14 C15	F7-R11 PolarHBondContact O-N 2.94Å; E8-R11 IonicContact OE2-NH1 2.69Å; R11-C13 VanDerWaalsContact C-N 3.35Å; R11-C13 PolarHBondContact O-N 3.01Å; R11-V14 PolarHBondContact O-N 3.25Å; R11-C15 WeakPolarHBondContact O-CB 3.25Å; R11-C15 PolarHBondContact O-N 3.47Å; R11-C15 PolarHBondContact O-SG 2.88Å
12	K	51.4	Low	50.8	Low	126 Å²	126	127 Å²	127	55%	0.548	63%	0.629	S	S	.	*	H	α-helix	trans	-62.5	-37.6	176.3	-74.8	173	-178.9	174	0	112.9	E8 N9 I10 R16	E8-K12 WeakPolarHBondContact O-CB 3.45Å; E8-K12 WeakPolarHBondContact O-CG 3.41Å; E8-K12 PolarHBondContact O-N 2.97Å; N9-K12 PolarHBondContact O-N 2.63Å; I10-K12 PolarHBondContact O-N 3.38Å; K12-R16 WeakPolarHBondContact O-CG 3.48Å; K12-R16 PolarHBondContact O-N 3.41Å
13	C	49.9	Very low	50.8	Low	81 Å²	81	129.8 Å²	129.8	55%	0.547	63%	0.629	S	S	.	*	H	α-helix	trans	-70.7	-36.4	175.3	-75.9	0	0	0	0	113.2	N9 I10 R11 R17	N9-C13 VanDerWaalsContact O-CB 3.32Å; N9-C13 WeakPolarHBondContact O-CB 3.17Å; N9-C13 PolarHBondContact O-N 2.82Å; N9-C13 PolarHBondContact O-SG 3.24Å; N9-C13 VanDerWaalsContact O-SG 3.35Å; I10-C13 PolarHBondContact O-N 3.01Å; R11-C13 VanDerWaalsContact C-N 3.35Å; R11-C13 PolarHBondContact O-N 3.01Å; C13-R17 PolarHBondContact O-N 2.78Å
14	V	51.6	Low	51.1	Low	66 Å²	66	123.2 Å²	123.2	40%	0.4	60%	0.6	S	S	.	*	H	α-helix	trans	-69.8	-43.1	173.4	172	0	0	0	0	110.7	I10 R11 R16 R17 H18	I10-V14 HydrophobicContact CG2-CG2 4.37Å; I10-V14 WeakPolarHBondContact O-CG2 3.43Å; I10-V14 PolarHBondContact O-N 3.41Å; R11-V14 PolarHBondContact O-N 3.25Å; V14-R16 VanDerWaalsContact C-N 3.31Å; V14-R16 PolarHBondContact O-N 3.24Å; V14-R17 WeakPolarHBondContact O-CA 3.35Å; V14-R17 WeakPolarHBondContact O-CB 3.35Å; V14-R17 PolarHBondContact O-N 3.08Å; V14-H18 PolarHBondContact O-N 2.93Å
15	C	48.6	Very low	51.4	Low	80 Å²	80	119.5 Å²	119.5	54%	0.541	59%	0.585	S	S	.	*	H	α-helix	trans	-61.7	-36.5	176.1	-70	0	0	0	0	112.7	R11 R17 H18	R11-C15 WeakPolarHBondContact O-CB 3.25Å; R11-C15 PolarHBondContact O-N 3.47Å; R11-C15 PolarHBondContact O-SG 2.88Å; C15-R17 PolarHBondContact O-N 3.22Å; C15-H18 PolarHBondContact O-N 3.49Å; C15-H18 VanDerWaalsContact O-N 3.14Å
16	R	46.5	Very low	51.8	Low	218 Å²	218	122.6 Å²	122.6	82%	0.823	59%	0.589	S	S	*	*	H	α-helix	trans	-65.2	-19.4	170.7	-73.4	-173.8	-169.2	-139.2	5.8	113.8	K12 V14	K12-R16 WeakPolarHBondContact O-CG 3.48Å; K12-R16 PolarHBondContact O-N 3.41Å; V14-R16 VanDerWaalsContact C-N 3.31Å; V14-R16 PolarHBondContact O-N 3.24Å
17	R	45.1	Very low	52.4	Low	172 Å²	172	116.5 Å²	116.5	65%	0.649	56%	0.556	S	S	*	*	H	α-helix	trans	-82	-11.4	172.5	-67.1	-175.7	-179.7	167.4	0.7	113.9	C13 V14 C15 G19 L20	C13-R17 PolarHBondContact O-N 2.78Å; V14-R17 WeakPolarHBondContact O-CA 3.35Å; V14-R17 WeakPolarHBondContact O-CB 3.35Å; V14-R17 PolarHBondContact O-N 3.08Å; C15-R17 PolarHBondContact O-N 3.22Å; R17-G19 PolarHBondContact O-N 3.01Å; R17-L20 HydrophobicContact CB-CD1 4.1Å; R17-L20 HydrophobicContact CG-CD1 3.89Å; R17-L20 WeakPolarHBondContact O-CB 3.1Å; R17-L20 PolarHBondContact O-N 2.97Å
18	H	43.3	Very low	53.4	Low	149 Å²	149	112 Å²	112	69%	0.69	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-12	176.1	-63.1	148.9	0	0	0	113.6	V14 C15	V14-H18 PolarHBondContact O-N 2.93Å; C15-H18 PolarHBondContact O-N 3.49Å; C15-H18 VanDerWaalsContact O-N 3.14Å
19	G	36.2	Very low	54.5	Low	72 Å²	72	109.2 Å²	109.2	74%	0.742	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-8.3	165.6	0	0	0	0	0	114.9	R17 S21	R17-G19 PolarHBondContact O-N 3.01Å; G19-S21 PolarHBondContact O-N 2.98Å
20	L	37.3	Very low	55.6	Low	122 Å²	122	110 Å²	110	64%	0.639	53%	0.53	S	S	*	.			trans	-79.7	89.9	175.1	-66.5	176.2	0	0	0	109.6	R17 R22	R17-L20 HydrophobicContact CB-CD1 4.1Å; R17-L20 HydrophobicContact CG-CD1 3.89Å; R17-L20 WeakPolarHBondContact O-CB 3.1Å; R17-L20 PolarHBondContact O-N 2.97Å; L20-R22 PolarHBondContact O-N 3.46Å
21	S	42.7	Very low	56.4	Low	105 Å²	105	107.1 Å²	107.1	73%	0.734	52%	0.516	S	S	*	.			trans	-51	108.4	161	177	0	0	0	0	108.5	G19 R23	G19-S21 PolarHBondContact O-N 2.98Å; S21-R23 PolarHBondContact O-N 3.37Å
22	R	50.5	Low	57.5	Low	233 Å²	233	103.9 Å²	103.9	88%	0.879	51%	0.507	S	S	*	.			trans	-51.2	120.3	176.1	-74.1	-173.9	177.8	-171.7	0.5	107.5	L20 L24	L20-R22 PolarHBondContact O-N 3.46Å; R22-L24 PolarHBondContact O-N 3.32Å
23	R	50.8	Low	58.6	Low	211 Å²	211	99.1 Å²	99.1	80%	0.796	49%	0.487	S	S	*	.			trans	-56.8	113.6	-175.1	-173.9	179.6	-172.1	171.2	5.7	108.4	S21 T25	S21-R23 PolarHBondContact O-N 3.37Å; R23-T25 PolarHBondContact O-N 3.23Å
24	L	59.7	Low	59.6	Low	38 Å²	38	100.7 Å²	100.7	20%	0.199	49%	0.49	C	S	.	.			trans	-59	131.3	-171.5	-75.1	164.7	0	0	0	110.1	R22 R26 Q45 P85	R22-L24 PolarHBondContact O-N 3.32Å; L24-R26 PolarHBondContact O-N 3.36Å; L24-R26 VanDerWaalsContact O-N 3.1Å; L24-Q45 HydrophobicContact CD2-CG 4.18Å; L24-P85 VanDerWaalsContact CD1-CA 3.44Å; L24-P85 HydrophobicContact CD1-CB 3.58Å
25	T	63.7	Low	60.5	Low	64 Å²	64	102.8 Å²	102.8	39%	0.393	50%	0.495	S	S	.	.			trans	-65.3	113.8	-176.4	-51.8	0	0	0	0	109	R23 V27 K38	R23-T25 PolarHBondContact O-N 3.23Å; T25-V27 PolarHBondContact O-N 3.08Å; T25-V27 VanDerWaalsContact O-N 3.13Å; T25-K38 HydrophobicContact CG2-CD 3.85Å
26	R	72.1	Confident	61.5	Low	131 Å²	131	99.1 Å²	99.1	49%	0.494	47%	0.471	S	S	.	.			trans	-47.9	120	170.4	-68.9	-175.9	169.9	169.1	-5.7	109.7	L24 K38 E81 A82	L24-R26 PolarHBondContact O-N 3.36Å; L24-R26 VanDerWaalsContact O-N 3.1Å; R26-K38 PolarHBondContact O-NZ 3.4Å; R26-E81 WeakPolarHBondContact CD-O 3.46Å; R26-E81 VanDerWaalsContact CG-O 3.23Å; R26-E81 WeakPolarHBondContact CG-O 3.39Å; R26-A82 PolarHBondContact NE-O 2.83Å
27	V	75.3	Confident	62.8	Low	1 Å²	1	89.4 Å²	89.4	1%	0.006	43%	0.434	C	S	.	.			trans	-71.5	139	169.1	-177.1	0	0	0	0	107.3	T25 F29 P43 I46 L80 Y103	T25-V27 PolarHBondContact O-N 3.08Å; T25-V27 VanDerWaalsContact O-N 3.13Å; V27-F29 HydrophobicContact CB-CE2 4.38Å; V27-F29 HydrophobicContact CG1-CD2 4.45Å; V27-F29 HydrophobicContact CG1-CE2 4.04Å; V27-F29 HydrophobicContact CG1-CZ 4.19Å; V27-P43 HydrophobicContact CG2-CB 4.13Å; V27-I46 HydrophobicContact CG1-CD1 4.2Å; V27-I46 HydrophobicContact CG1-CG1 4.12Å; V27-I46 HydrophobicContact CG2-CD1 4.28Å; V27-I46 HydrophobicContact CG2-CG1 3.98Å; V27-L80 HydrophobicContact CB-CB 4.17Å; V27-L80 HydrophobicContact CG2-CB 4.26Å; V27-L80 HydrophobicContact CG2-CD2 3.93Å; V27-L80 PolarHBondContact N-O 2.93Å; V27-L80 VanDerWaalsContact N-O 3.08Å; V27-Y103 HydrophobicContact CG1-CD2 3.87Å; V27-Y103 HydrophobicContact CG1-CE2 3.68Å
28	L	76	Confident	63.6	Low	60 Å²	60	86.4 Å²	86.4	31%	0.314	43%	0.426	S	S	.	.			trans	-106.6	132.4	173.8	-59.9	-179.4	0	0	0	108.1	V31 K38	L28-V31 HydrophobicContact CB-CB 4.41Å; L28-V31 HydrophobicContact CB-CG1 3.95Å; L28-V31 HydrophobicContact CB-CG2 3.53Å; L28-V31 HydrophobicContact CD1-CG1 4.29Å; L28-V31 HydrophobicContact CD1-CG2 4.4Å; L28-K38 VanDerWaalsContact CD1-CE 3.43Å
29	F	79.6	Confident	64.8	Low	19 Å²	19	82.6 Å²	82.6	8%	0.083	42%	0.416	C	S	.	.	S	Bend	trans	-110.3	149.7	170.3	-62.5	-92.3	0	0	0	107.8	V27 I77 L80 E81 Y103 H106	V27-F29 HydrophobicContact CB-CE2 4.38Å; V27-F29 HydrophobicContact CG1-CD2 4.45Å; V27-F29 HydrophobicContact CG1-CE2 4.04Å; V27-F29 HydrophobicContact CG1-CZ 4.19Å; F29-I77 HydrophobicContact CD2-CG2 4.27Å; F29-I77 HydrophobicContact CE2-CG2 4.05Å; F29-I77 HydrophobicContact CZ-CG1 4.4Å; F29-L80 HydrophobicContact CE2-CB 4.13Å; F29-L80 HydrophobicContact CE2-CD1 4.35Å; F29-L80 HydrophobicContact CZ-CD1 3.89Å; F29-E81 HydrophobicContact CD2-CG 3.7Å; F29-E81 HydrophobicContact CE2-CG 3.98Å; F29-Y103 HydrophobicContact CD1-CD2 4.27Å; F29-Y103 AromaticContact CE1-CD2 3.98Å; F29-Y103 HydrophobicContact CE1-CD2 3.98Å; F29-H106 HydrophobicContact CB-CB 4.01Å; F29-H106 HydrophobicContact CD1-CB 3.96Å; F29-H106 HydrophobicContact CG-CB 4.5Å
30	N	75.7	Confident	66.5	Low	111 Å²	111	87 Å²	87	59%	0.594	42%	0.418	S	S	*	.	S	Bend	trans	61	45.8	-173.6	-48.7	-78.7	0	0	0	113.1	H106	N30-H106 VanDerWaalsContact CA-O 3.24Å; N30-H106 WeakPolarHBondContact CA-O 3.17Å; N30-H106 PolarHBondContact N-O 3.37Å; N30-H106 PolarHBondContact OD1-ND1 2.99Å
31	V	75.6	Confident	68.6	Low	24 Å²	24	85.3 Å²	85.3	15%	0.145	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	160.8	171.5	-60.1	0	0	0	0	110.1	L28 E35 E108	L28-V31 HydrophobicContact CB-CB 4.41Å; L28-V31 HydrophobicContact CB-CG1 3.95Å; L28-V31 HydrophobicContact CB-CG2 3.53Å; L28-V31 HydrophobicContact CD1-CG1 4.29Å; L28-V31 HydrophobicContact CD1-CG2 4.4Å; V31-E35 HydrophobicContact CB-CB 4.1Å; V31-E35 HydrophobicContact CG2-CB 4.22Å; V31-E108 PolarHBondContact O-N 3.07Å
32	K	76.1	Confident	70.7	Confident	98 Å²	98	80.6 Å²	80.6	43%	0.426	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	152	174	-66.6	177.5	-178.2	173.1	0	111	N34 E35 S36 E108	K32-N34 PolarHBondContact O-N 3.42Å; K32-E35 HydrophobicContact CB-CG 4.46Å; K32-E35 WeakPolarHBondContact O-CA 3.38Å; K32-E35 WeakPolarHBondContact O-CB 3.43Å; K32-E35 PolarHBondContact O-N 3.22Å; K32-S36 PolarHBondContact O-N 2.86Å; K32-E108 WeakPolarHBondContact CE-OE1 3.4Å; K32-E108 WeakPolarHBondContact CE-OE2 3.27Å; K32-E108 HydrophobicContact CG-CB 4Å; K32-E108 HydrophobicContact CG-CG 4.28Å; K32-E108 WeakPolarHBondContact CG-OE2 3.47Å; K32-E108 IonicContact NZ-OE1 3.63Å
33	I	74.8	Confident	72.5	Confident	26 Å²	26	69.9 Å²	69.9	13%	0.133	34%	0.337	C	S	.	.	H	α-helix	trans	-55.1	-40.9	-176	-166.2	147.7	0	0	0	112.9	E35 S36 F37 I107 I111 V147	I33-E35 VanDerWaalsContact C-N 3.27Å; I33-E35 PolarHBondContact O-N 2.6Å; I33-S36 PolarHBondContact O-N 3.17Å; I33-F37 HydrophobicContact CD1-CE2 3.94Å; I33-F37 HydrophobicContact CG1-CD2 3.75Å; I33-F37 HydrophobicContact CG1-CE2 3.34Å; I33-F37 HydrophobicContact CG1-CZ 4.26Å; I33-F37 WeakPolarHBondContact O-CD2 3.44Å; I33-F37 WeakPolarHBondContact O-CG 3.43Å; I33-F37 PolarHBondContact O-N 3.36Å; I33-F37 VanDerWaalsContact O-N 3.1Å; I33-I107 HydrophobicContact CB-CG2 3.67Å; I33-I107 HydrophobicContact CD1-CD1 4.21Å; I33-I107 HydrophobicContact CD1-CG2 4.25Å; I33-I107 HydrophobicContact CG1-CD1 4.41Å; I33-I107 HydrophobicContact CG1-CG2 4.21Å; I33-I111 HydrophobicContact CD1-CB 4.34Å; I33-I111 VanDerWaalsContact CD1-O 3.31Å; I33-I111 WeakPolarHBondContact CD1-O 3.36Å; I33-V147 HydrophobicContact CD1-CB 4.49Å; I33-V147 HydrophobicContact CD1-CG1 4.24Å; I33-V147 HydrophobicContact CD1-CG2 3.61Å; I33-V147 HydrophobicContact CG1-CG2 4.01Å
34	N	70	Confident	74.4	Confident	115 Å²	115	61.2 Å²	61.2	62%	0.615	31%	0.308	S	S	*	.	H	α-helix	trans	-65.5	-24.3	176.7	-64.1	-17.5	0	0	0	113.7	K32	K32-N34 PolarHBondContact O-N 3.42Å
35	E	71.3	Confident	75.9	Confident	109 Å²	109	60.1 Å²	60.1	51%	0.509	30%	0.302	S	S	.	.	H	α-helix	trans	-90.5	-29.8	179	-66.3	172.7	-156.3	0	0	112.2	V31 K32 I33 F37	V31-E35 HydrophobicContact CB-CB 4.1Å; V31-E35 HydrophobicContact CG2-CB 4.22Å; K32-E35 HydrophobicContact CB-CG 4.46Å; K32-E35 WeakPolarHBondContact O-CA 3.38Å; K32-E35 WeakPolarHBondContact O-CB 3.43Å; K32-E35 PolarHBondContact O-N 3.22Å; I33-E35 VanDerWaalsContact C-N 3.27Å; I33-E35 PolarHBondContact O-N 2.6Å; E35-F37 VanDerWaalsContact C-N 3.29Å
36	S	68.8	Low	77.3	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-39.2	166.8	-170.4	0	0	0	0	110.8	K32 I33 K38 Y103	K32-S36 PolarHBondContact O-N 2.86Å; I33-S36 PolarHBondContact O-N 3.17Å; S36-K38 PolarHBondContact O-N 3.17Å; S36-K38 VanDerWaalsContact O-N 3.12Å; S36-Y103 PolarHBondContact OG-OH 3.11Å
37	F	74	Confident	78.4	Confident	14 Å²	14	53.4 Å²	53.4	6%	0.061	27%	0.27	C	S	.	.			trans	-83.9	75	175.5	-62.2	-45.2	0	0	0	113	I33 E35 S39 I42 P146 V147 L150	I33-F37 HydrophobicContact CD1-CE2 3.94Å; I33-F37 HydrophobicContact CG1-CD2 3.75Å; I33-F37 HydrophobicContact CG1-CE2 3.34Å; I33-F37 HydrophobicContact CG1-CZ 4.26Å; I33-F37 WeakPolarHBondContact O-CD2 3.44Å; I33-F37 WeakPolarHBondContact O-CG 3.43Å; I33-F37 PolarHBondContact O-N 3.36Å; I33-F37 VanDerWaalsContact O-N 3.1Å; E35-F37 VanDerWaalsContact C-N 3.29Å; F37-S39 CarbonylContact C-O 3.54Å; F37-S39 PolarHBondContact O-N 2.58Å; F37-I42 HydrophobicContact CE1-CB 4.34Å; F37-I42 HydrophobicContact CE1-CG1 4.22Å; F37-I42 HydrophobicContact CE1-CG2 4.48Å; F37-P146 HydrophobicContact CB-CB 4.48Å; F37-P146 HydrophobicContact CB-CG 4.22Å; F37-P146 HydrophobicContact CD1-CB 3.9Å; F37-P146 HydrophobicContact CD1-CG 4.45Å; F37-P146 HydrophobicContact CD2-CB 3.75Å; F37-P146 HydrophobicContact CD2-CG 3.53Å; F37-P146 HydrophobicContact CE1-CB 4.01Å; F37-P146 HydrophobicContact CE2-CB 3.8Å; F37-P146 HydrophobicContact CE2-CG 3.91Å; F37-P146 HydrophobicContact CG-CB 3.8Å; F37-P146 HydrophobicContact CG-CG 3.84Å; F37-P146 HydrophobicContact CZ-CB 3.95Å; F37-V147 HydrophobicContact CE2-CG2 3.96Å; F37-L150 HydrophobicContact CZ-CD2 4.12Å
38	K	63	Low	79.3	Confident	110 Å²	110	55.8 Å²	55.8	48%	0.478	28%	0.282	S	S	.	.	S	Bend	trans	-60.4	2.8	173.2	-62.5	171.4	-175.1	162.4	0	115.4	T25 R26 L28 S36	T25-K38 HydrophobicContact CG2-CD 3.85Å; R26-K38 PolarHBondContact O-NZ 3.4Å; L28-K38 VanDerWaalsContact CD1-CE 3.43Å; S36-K38 PolarHBondContact O-N 3.17Å; S36-K38 VanDerWaalsContact O-N 3.12Å
39	S	66.6	Low	80.3	Confident	69 Å²	69	53 Å²	53	48%	0.483	27%	0.267	S	S	.	.	S	Bend	trans	-159.3	171.6	174.1	70.6	0	0	0	0	107.6	F37 N41	F37-S39 CarbonylContact C-O 3.54Å; F37-S39 PolarHBondContact O-N 2.58Å; S39-N41 PolarHBondContact O-N 3.3Å; S39-N41 PolarHBondContact OG-N 2.76Å
40	Q	73.6	Confident	81.2	Confident	164 Å²	164	52.2 Å²	52.2	77%	0.766	26%	0.264	S	S	*	.	S	Bend	trans	-64.9	14.9	175.2	-64.8	173.6	-20.2	0	0	115
41	N	81.6	Confident	82.2	Confident	87 Å²	87	47.2 Å²	47.2	47%	0.465	24%	0.238	S	C	.	.	S	Bend	trans	-132.4	151.6	-175.4	-58.9	-89	0	0	0	111.3	S39	S39-N41 PolarHBondContact O-N 3.3Å; S39-N41 PolarHBondContact OG-N 2.76Å
42	I	86.1	Confident	83.2	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	24%	0.237	C	C	.	.			trans	-57.4	139.5	173.2	-53.7	169.7	0	0	0	111	F37 S44 I46 R47 Q149 L150 L153	F37-I42 HydrophobicContact CE1-CB 4.34Å; F37-I42 HydrophobicContact CE1-CG1 4.22Å; F37-I42 HydrophobicContact CE1-CG2 4.48Å; I42-S44 PolarHBondContact O-N 2.68Å; I42-I46 HydrophobicContact CG2-CB 4.14Å; I42-I46 HydrophobicContact CG2-CG2 4.1Å; I42-R47 HydrophobicContact CB-CB 4.38Å; I42-R47 HydrophobicContact CD1-CG 4.49Å; I42-R47 HydrophobicContact CG2-CB 4.14Å; I42-Q149 HydrophobicContact CD1-CB 3.87Å; I42-Q149 HydrophobicContact CG1-CB 4.33Å; I42-L150 HydrophobicContact CD1-CB 3.95Å; I42-L150 HydrophobicContact CD1-CD1 4.36Å; I42-L150 HydrophobicContact CG1-CB 4.28Å; I42-L150 HydrophobicContact CG2-CD1 4.48Å; I42-L153 HydrophobicContact CD1-CD1 3.63Å
43	P	88.3	Confident	84.2	Confident	9 Å²	9	42.9 Å²	42.9	6%	0.058	22%	0.217	C	C	.	.			trans	-55	129	175.3	-23.5	34.7	0	0	0	110.3	V27 Q45 I46 R47	V27-P43 HydrophobicContact CG2-CB 4.13Å; P43-Q45 VanDerWaalsContact C-N 3.3Å; P43-Q45 PolarHBondContact O-N 3.33Å; P43-Q45 VanDerWaalsContact O-N 3.14Å; P43-I46 HydrophobicContact CB-CG1 4.38Å; P43-I46 PolarHBondContact O-N 2.73Å; P43-R47 PolarHBondContact O-N 3.07Å; P43-R47 VanDerWaalsContact O-N 3.16Å
44	S	90	Very high	85.2	Confident	29 Å²	29	41.7 Å²	41.7	20%	0.203	21%	0.21	C	C	.	.	H	α-helix	trans	-54.2	-46.1	-164.7	63.2	0	0	0	0	112.6	I42 I46 R47 D48	I42-S44 PolarHBondContact O-N 2.68Å; S44-I46 VanDerWaalsContact C-N 3.29Å; S44-I46 PolarHBondContact O-N 3.08Å; S44-R47 CarbonylContact O-C 3.54Å; S44-R47 WeakPolarHBondContact O-CA 3.49Å; S44-R47 WeakPolarHBondContact O-CB 3.42Å; S44-R47 PolarHBondContact O-N 3.15Å; S44-D48 WeakPolarHBondContact O-CB 3.43Å; S44-D48 PolarHBondContact O-N 2.83Å
45	Q	91.9	Very high	86.4	Confident	14 Å²	14	40.6 Å²	40.6	7%	0.065	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-31.3	-179.9	-64.6	-73.7	-105.5	0	0	114	L24 P43 D48 L49 L80 I86 W88	L24-Q45 HydrophobicContact CD2-CG 4.18Å; P43-Q45 VanDerWaalsContact C-N 3.3Å; P43-Q45 PolarHBondContact O-N 3.33Å; P43-Q45 VanDerWaalsContact O-N 3.14Å; Q45-D48 WeakPolarHBondContact CA-OD2 3.32Å; Q45-D48 PolarHBondContact N-OD2 3Å; Q45-D48 PolarHBondContact NE2-OD2 3.05Å; Q45-L49 WeakPolarHBondContact O-CB 3.39Å; Q45-L49 PolarHBondContact O-N 3.32Å; Q45-L80 HydrophobicContact CB-CD2 3.56Å; Q45-L80 HydrophobicContact CG-CD2 4.24Å; Q45-I86 VanDerWaalsContact OE1-N 3.13Å; Q45-W88 HydrophobicContact CB-CZ2 4.14Å; Q45-W88 WeakPolarHBondContact O-CZ2 3.46Å
46	I	93.8	Very high	87.5	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-71.8	-40.2	172.8	-60.7	-58.8	0	0	0	110.5	V27 I42 P43 S44 L49 L50 L80 Y103 L150	V27-I46 HydrophobicContact CG1-CD1 4.2Å; V27-I46 HydrophobicContact CG1-CG1 4.12Å; V27-I46 HydrophobicContact CG2-CD1 4.28Å; V27-I46 HydrophobicContact CG2-CG1 3.98Å; I42-I46 HydrophobicContact CG2-CB 4.14Å; I42-I46 HydrophobicContact CG2-CG2 4.1Å; P43-I46 HydrophobicContact CB-CG1 4.38Å; P43-I46 PolarHBondContact O-N 2.73Å; S44-I46 VanDerWaalsContact C-N 3.29Å; S44-I46 PolarHBondContact O-N 3.08Å; I46-L49 PolarHBondContact O-N 3.29Å; I46-L50 HydrophobicContact CG2-CD1 4.15Å; I46-L50 WeakPolarHBondContact O-CG 2.82Å; I46-L50 PolarHBondContact O-N 3.11Å; I46-L80 HydrophobicContact CD1-CD1 4.25Å; I46-Y103 HydrophobicContact CD1-CD1 4.25Å; I46-Y103 HydrophobicContact CD1-CD2 3.97Å; I46-Y103 HydrophobicContact CD1-CE2 4.42Å; I46-Y103 HydrophobicContact CD1-CG 3.88Å; I46-Y103 HydrophobicContact CG1-CD1 4.3Å; I46-Y103 HydrophobicContact CG1-CD2 4.21Å; I46-Y103 HydrophobicContact CG1-CE1 4.26Å; I46-Y103 HydrophobicContact CG1-CE2 4.16Å; I46-Y103 HydrophobicContact CG1-CG 4.29Å; I46-Y103 HydrophobicContact CG2-CD1 3.82Å; I46-Y103 HydrophobicContact CG2-CE1 3.8Å; I46-L150 HydrophobicContact CG2-CD1 4.43Å
47	R	94.3	Very high	88.7	Confident	53 Å²	53	40.5 Å²	40.5	20%	0.2	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-47.2	175.1	-155.1	179	71.5	-92.7	-18.1	111.2	I42 P43 S44 L49 L50 V51 L153 Y221 E225	I42-R47 HydrophobicContact CB-CB 4.38Å; I42-R47 HydrophobicContact CD1-CG 4.49Å; I42-R47 HydrophobicContact CG2-CB 4.14Å; P43-R47 PolarHBondContact O-N 3.07Å; P43-R47 VanDerWaalsContact O-N 3.16Å; S44-R47 CarbonylContact O-C 3.54Å; S44-R47 WeakPolarHBondContact O-CA 3.49Å; S44-R47 WeakPolarHBondContact O-CB 3.42Å; S44-R47 PolarHBondContact O-N 3.15Å; R47-L49 VanDerWaalsContact C-N 3.32Å; R47-L49 PolarHBondContact O-N 2.9Å; R47-L50 PolarHBondContact O-N 2.68Å; R47-V51 WeakPolarHBondContact O-CB 3.41Å; R47-V51 WeakPolarHBondContact O-CG2 3.4Å; R47-V51 PolarHBondContact O-N 2.88Å; R47-L153 HydrophobicContact CG-CD1 3.69Å; R47-Y221 WeakPolarHBondContact CD-OH 3.28Å; R47-E225 HydrophobicContact CG-CG 4.19Å; R47-E225 IonicContact CZ-OE1 2.63Å; R47-E225 IonicContact NE-OE1 2.67Å; R47-E225 PolarHBondContact NE-OE1 3.47Å; R47-E225 IonicContact NE-OE2 3.81Å; R47-E225 IonicContact NH2-OE1 3.58Å; R47-E225 PolarHBondContact NH2-OE1 3.47Å
48	D	94.9	Very high	89.6	Confident	51 Å²	51	40.2 Å²	40.2	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-58.2	-42.4	177.4	-54.8	-33.9	0	0	0	111.2	S44 Q45 Y52	S44-D48 WeakPolarHBondContact O-CB 3.43Å; S44-D48 PolarHBondContact O-N 2.83Å; Q45-D48 WeakPolarHBondContact CA-OD2 3.32Å; Q45-D48 PolarHBondContact N-OD2 3Å; Q45-D48 PolarHBondContact NE2-OD2 3.05Å; D48-Y52 WeakPolarHBondContact O-CB 3.37Å; D48-Y52 PolarHBondContact O-N 3.34Å
49	L	96.8	Very high	91.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-50.7	174.9	168.9	64	0	0	0	112.2	Q45 I46 R47 Y52 I53 W88 L96 I99 A100	Q45-L49 WeakPolarHBondContact O-CB 3.39Å; Q45-L49 PolarHBondContact O-N 3.32Å; I46-L49 PolarHBondContact O-N 3.29Å; R47-L49 VanDerWaalsContact C-N 3.32Å; R47-L49 PolarHBondContact O-N 2.9Å; L49-Y52 PolarHBondContact O-N 3.31Å; L49-I53 HydrophobicContact CD1-CD1 3.93Å; L49-I53 HydrophobicContact CD1-CG1 4.45Å; L49-I53 HydrophobicContact CG-CD1 4.19Å; L49-I53 WeakPolarHBondContact O-CG1 3.18Å; L49-I53 PolarHBondContact O-N 3.07Å; L49-W88 HydrophobicContact CB-CD2 4.25Å; L49-W88 HydrophobicContact CB-CH2 4.1Å; L49-W88 HydrophobicContact CB-CZ2 3.83Å; L49-W88 HydrophobicContact CB-CZ3 4.44Å; L49-W88 HydrophobicContact CD1-CD2 4.11Å; L49-W88 HydrophobicContact CD1-CE3 3.81Å; L49-W88 HydrophobicContact CD1-CH2 4.47Å; L49-W88 HydrophobicContact CD1-CZ3 3.99Å; L49-W88 HydrophobicContact CD2-CH2 4.46Å; L49-L96 HydrophobicContact CD1-CB 3.8Å; L49-L96 HydrophobicContact CD1-CD1 4.42Å; L49-L96 HydrophobicContact CD1-CD2 3.89Å; L49-L96 HydrophobicContact CD1-CG 4.25Å; L49-I99 HydrophobicContact CD2-CB 4.42Å; L49-I99 HydrophobicContact CD2-CG2 3.73Å; L49-A100 HydrophobicContact CD2-CB 4.5Å
50	L	97.6	Very high	92.4	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	18%	0.178	C	C	.	.	H	α-helix	trans	-64.9	-42.3	-179.8	-69.4	173.4	0	0	0	111.1	I46 R47 Y52 I53 A54 A100 L150 L153 L154 I157	I46-L50 HydrophobicContact CG2-CD1 4.15Å; I46-L50 WeakPolarHBondContact O-CG 2.82Å; I46-L50 PolarHBondContact O-N 3.11Å; R47-L50 PolarHBondContact O-N 2.68Å; L50-Y52 VanDerWaalsContact C-N 3.31Å; L50-Y52 PolarHBondContact O-N 3.4Å; L50-I53 PolarHBondContact O-N 2.7Å; L50-A54 WeakPolarHBondContact O-CB 3.29Å; L50-A54 PolarHBondContact O-N 3.3Å; L50-A100 HydrophobicContact CD2-CB 4.05Å; L50-L150 HydrophobicContact CD1-CD1 3.57Å; L50-L153 HydrophobicContact CB-CB 4.3Å; L50-L153 HydrophobicContact CD1-CB 3.99Å; L50-L153 HydrophobicContact CD1-CD1 4.34Å; L50-L154 HydrophobicContact CD1-CD2 4.4Å; L50-L154 HydrophobicContact CD2-CD2 3.81Å; L50-I157 HydrophobicContact CB-CD1 3.94Å; L50-I157 HydrophobicContact CD2-CD1 3.78Å; L50-I157 HydrophobicContact CG-CD1 4.46Å; L50-I157 WeakPolarHBondContact O-CD1 3.28Å
51	V	96.4	Very high	93.5	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.042	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-38	174.6	166.5	0	0	0	0	112.3	R47 A54 R55 L153 E225 T226	R47-V51 WeakPolarHBondContact O-CB 3.41Å; R47-V51 WeakPolarHBondContact O-CG2 3.4Å; R47-V51 PolarHBondContact O-N 2.88Å; V51-A54 PolarHBondContact O-N 3.32Å; V51-R55 WeakPolarHBondContact O-CG 3.4Å; V51-R55 PolarHBondContact O-N 3.49Å; V51-L153 HydrophobicContact CG2-CD2 4.33Å; V51-E225 HydrophobicContact CG2-CG 3.66Å; V51-T226 HydrophobicContact CG2-CG2 4.42Å
52	Y	97.3	Very high	94.1	Very high	31 Å²	31	26.9 Å²	26.9	12%	0.122	14%	0.139	C	C	.	.	H	α-helix	trans	-66.5	-45.5	174.8	-177.7	-108.8	0	0	0	111.7	D48 L49 L50 A54 R55 E56 W88 T89 F93 L96	D48-Y52 WeakPolarHBondContact O-CB 3.37Å; D48-Y52 PolarHBondContact O-N 3.34Å; L49-Y52 PolarHBondContact O-N 3.31Å; L50-Y52 VanDerWaalsContact C-N 3.31Å; L50-Y52 PolarHBondContact O-N 3.4Å; Y52-A54 VanDerWaalsContact C-N 3.33Å; Y52-A54 PolarHBondContact O-N 3.39Å; Y52-R55 PolarHBondContact O-N 2.91Å; Y52-E56 VanDerWaalsContact CE2-CD 3.45Å; Y52-E56 HydrophobicContact CE2-CG 4.46Å; Y52-E56 VanDerWaalsContact CE2-OE2 3.22Å; Y52-E56 WeakPolarHBondContact CE2-OE2 3.48Å; Y52-E56 PolarHBondContact O-N 2.92Å; Y52-E56 VanDerWaalsContact O-N 3.07Å; Y52-E56 PolarHBondContact OH-OE2 2.99Å; Y52-W88 HydrophobicContact CD1-CB 3.5Å; Y52-W88 VanDerWaalsContact CD1-CB 3.5Å; Y52-W88 HydrophobicContact CD1-CG 4.45Å; Y52-W88 HydrophobicContact CD2-CB 4.49Å; Y52-W88 HydrophobicContact CE1-CB 3.89Å; Y52-W88 HydrophobicContact CG-CB 3.84Å; Y52-T89 HydrophobicContact CE2-CG2 3.96Å; Y52-F93 AromaticContact CD1-CE1 3.77Å; Y52-F93 HydrophobicContact CD1-CE1 3.77Å; Y52-F93 HydrophobicContact CD1-CZ 4.36Å; Y52-F93 HydrophobicContact CE1-CD1 4.26Å; Y52-F93 AromaticContact CE1-CE1 3.34Å; Y52-F93 HydrophobicContact CE1-CE1 3.34Å; Y52-F93 AromaticContact CE1-CZ 3.55Å; Y52-F93 HydrophobicContact CE1-CZ 3.55Å; Y52-F93 AromaticContact CZ-CE1 3.98Å; Y52-F93 AromaticContact CZ-CZ 3.72Å; Y52-L96 HydrophobicContact CD1-CD1 3.66Å; Y52-L96 HydrophobicContact CE1-CD1 3.62Å
53	I	97.3	Very high	94.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	I	π-helix	trans	-60.5	-41.1	174.5	-65.8	166.6	0	0	0	111.3	L49 L50 R55 G57 V58 L63 F64 F93 L96 A100 I157	L49-I53 HydrophobicContact CD1-CD1 3.93Å; L49-I53 HydrophobicContact CD1-CG1 4.45Å; L49-I53 HydrophobicContact CG-CD1 4.19Å; L49-I53 WeakPolarHBondContact O-CG1 3.18Å; L49-I53 PolarHBondContact O-N 3.07Å; L50-I53 PolarHBondContact O-N 2.7Å; I53-R55 VanDerWaalsContact C-N 3.31Å; I53-R55 PolarHBondContact O-N 3.33Å; I53-G57 VanDerWaalsContact O-CA 3.25Å; I53-G57 WeakPolarHBondContact O-CA 3.32Å; I53-G57 PolarHBondContact O-N 3.45Å; I53-V58 PolarHBondContact O-N 3.33Å; I53-L63 HydrophobicContact CG2-CD2 4Å; I53-F64 HydrophobicContact CG2-CE2 4.31Å; I53-F64 HydrophobicContact CG2-CZ 4.47Å; I53-F93 HydrophobicContact CG1-CD1 4.47Å; I53-L96 HydrophobicContact CD1-CB 4.11Å; I53-L96 HydrophobicContact CG1-CB 4.29Å; I53-A100 HydrophobicContact CD1-CB 4.45Å; I53-I157 HydrophobicContact CB-CD1 4.37Å; I53-I157 HydrophobicContact CG2-CD1 4.28Å; I53-I157 HydrophobicContact CG2-CG2 3.84Å
54	A	95.8	Very high	95	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	I	π-helix	trans	-64.6	-31.6	179.4	0	0	0	0	0	113.9	L50 V51 Y52 I157 F222 T226	L50-A54 WeakPolarHBondContact O-CB 3.29Å; L50-A54 PolarHBondContact O-N 3.3Å; V51-A54 PolarHBondContact O-N 3.32Å; Y52-A54 VanDerWaalsContact C-N 3.33Å; Y52-A54 PolarHBondContact O-N 3.39Å; A54-I157 HydrophobicContact CB-CD1 4.38Å; A54-I157 HydrophobicContact CB-CG1 3.68Å; A54-F222 HydrophobicContact CB-CE2 4.39Å; A54-F222 HydrophobicContact CB-CZ 4.37Å; A54-T226 HydrophobicContact CB-CG2 3.51Å
55	R	94.7	Very high	95.3	Very high	93 Å²	93	30.4 Å²	30.4	35%	0.351	15%	0.147	S	C	.	.	I	π-helix	trans	-83.2	-46.8	-179.6	-74.5	176.6	177.5	135.6	18.2	113.2	V51 Y52 I53 E225 T226 T228	V51-R55 WeakPolarHBondContact O-CG 3.4Å; V51-R55 PolarHBondContact O-N 3.49Å; Y52-R55 PolarHBondContact O-N 2.91Å; I53-R55 VanDerWaalsContact C-N 3.31Å; I53-R55 PolarHBondContact O-N 3.33Å; R55-E225 PolarHBondContact NH2-O 3.34Å; R55-T226 PolarHBondContact NE-O 3.01Å; R55-T226 PolarHBondContact NH2-O 2.81Å; R55-T228 HydrophobicContact CG-CG2 4.3Å
56	E	94.9	Very high	95.5	Very high	110 Å²	110	34.4 Å²	34.4	51%	0.514	16%	0.161	S	C	.	.	I	π-helix	trans	-120.3	-18.3	-165.5	-67	173.3	-140.7	0	0	113.3	Y52 F93	Y52-E56 VanDerWaalsContact CE2-CD 3.45Å; Y52-E56 HydrophobicContact CE2-CG 4.46Å; Y52-E56 VanDerWaalsContact CE2-OE2 3.22Å; Y52-E56 WeakPolarHBondContact CE2-OE2 3.48Å; Y52-E56 PolarHBondContact O-N 2.92Å; Y52-E56 VanDerWaalsContact O-N 3.07Å; Y52-E56 PolarHBondContact OH-OE2 2.99Å; E56-F93 HydrophobicContact CB-CE1 4.16Å; E56-F93 HydrophobicContact CB-CZ 3.61Å
57	G	94.1	Very high	95.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-89.1	-22.3	-175.7	0	0	0	0	0	115.6	I53 A59 V60 L63	I53-G57 VanDerWaalsContact O-CA 3.25Å; I53-G57 WeakPolarHBondContact O-CA 3.32Å; I53-G57 PolarHBondContact O-N 3.45Å; G57-A59 PolarHBondContact O-N 3.22Å; G57-A59 VanDerWaalsContact O-N 3.08Å; G57-V60 VanDerWaalsContact O-CB 3.29Å; G57-V60 WeakPolarHBondContact O-CB 3.2Å; G57-V60 WeakPolarHBondContact O-CG2 3.45Å; G57-V60 PolarHBondContact O-N 2.95Å; G57-L63 VanDerWaalsContact O-CD2 3.29Å; G57-L63 WeakPolarHBondContact O-CD2 3.44Å
58	V	93.3	Very high	95.7	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.048	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.8	-166.4	-64	0	0	0	0	115.3	I53 R160 M161 N168	I53-V58 PolarHBondContact O-N 3.33Å; V58-R160 HydrophobicContact CB-CB 4.3Å; V58-R160 HydrophobicContact CG1-CB 3.8Å; V58-M161 HydrophobicContact CB-CG 4.23Å; V58-M161 HydrophobicContact CG1-CG 4.32Å; V58-N168 PolarHBondContact O-ND2 2.92Å
59	A	93.4	Very high	95.8	Very high	46 Å²	46	38 Å²	38	38%	0.38	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.7	176.2	0	0	0	0	0	114	G57 T61 V167	G57-A59 PolarHBondContact O-N 3.22Å; G57-A59 VanDerWaalsContact O-N 3.08Å; A59-T61 PolarHBondContact O-N 3.45Å; A59-V167 HydrophobicContact CB-CG1 4.08Å
60	V	95.4	Very high	95.8	Very high	32 Å²	32	42.9 Å²	42.9	19%	0.194	22%	0.215	C	C	.	.	S	Bend	trans	-73.9	120.7	-176.6	176.3	0	0	0	0	110.8	G57 D62 L63 F93 Y94	G57-V60 VanDerWaalsContact O-CB 3.29Å; G57-V60 WeakPolarHBondContact O-CB 3.2Å; G57-V60 WeakPolarHBondContact O-CG2 3.45Å; G57-V60 PolarHBondContact O-N 2.95Å; V60-D62 PolarHBondContact O-N 2.88Å; V60-L63 HydrophobicContact CB-CB 4.33Å; V60-L63 HydrophobicContact CG1-CD1 4.49Å; V60-L63 WeakPolarHBondContact O-CB 3.38Å; V60-L63 PolarHBondContact O-N 2.87Å; V60-F93 HydrophobicContact CG1-CB 4.4Å; V60-F93 HydrophobicContact CG2-CB 4.22Å; V60-F93 HydrophobicContact CG2-CD2 3.78Å; V60-F93 HydrophobicContact CG2-CE2 4.44Å; V60-F93 HydrophobicContact CG2-CG 4.09Å; V60-Y94 HydrophobicContact CG1-CE1 3.85Å
61	T	95.3	Very high	95.8	Very high	56 Å²	56	50 Å²	50	34%	0.344	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	133.9	-179.3	62.7	0	0	0	0	112.6	A59 L63 Y94 N168	A59-T61 PolarHBondContact O-N 3.45Å; T61-L63 PolarHBondContact O-N 3.41Å; T61-Y94 VanDerWaalsContact O-CE1 3.23Å; T61-Y94 WeakPolarHBondContact O-CE1 3.42Å; T61-Y94 PolarHBondContact O-OH 2.95Å; T61-Y94 PolarHBondContact OG1-OH 3.43Å; T61-N168 VanDerWaalsContact CA-O 3.26Å; T61-N168 WeakPolarHBondContact CA-O 3.49Å
62	D	95	Very high	95.8	Very high	15 Å²	15	51.9 Å²	51.9	8%	0.08	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	25.3	179.4	-57.3	1.2	0	0	0	115.3	V60 R65 R66 N168	V60-D62 PolarHBondContact O-N 2.88Å; D62-R65 HydrophobicContact CB-CB 4.3Å; D62-R65 WeakPolarHBondContact O-CB 3.5Å; D62-R65 PolarHBondContact O-N 3.22Å; D62-R65 VanDerWaalsContact O-N 3.08Å; D62-R65 IonicContact OD1-CZ 2.66Å; D62-R65 IonicContact OD1-NE 3.49Å; D62-R65 IonicContact OD1-NH1 2.73Å; D62-R65 IonicContact OD1-NH2 3.41Å; D62-R65 PolarHBondContact OD1-NH2 2.9Å; D62-R65 IonicContact OD2-CZ 2.99Å; D62-R65 IonicContact OD2-NE 3.16Å; D62-R65 IonicContact OD2-NH2 2.84Å; D62-R65 PolarHBondContact OD2-NH2 2.85Å; D62-R66 HydrophobicContact CB-CB 4.4Å; D62-R66 HydrophobicContact CB-CG 3.64Å; D62-R66 VanDerWaalsContact CG-NE 3.35Å; D62-R66 VanDerWaalsContact CG-NH2 3.31Å; D62-R66 PolarHBondContact O-N 3.41Å; D62-R66 IonicContact OD1-NH2 3.77Å; D62-R66 IonicContact OD2-CZ 3.63Å; D62-R66 IonicContact OD2-NE 2.66Å; D62-R66 PolarHBondContact OD2-NE 3.22Å; D62-R66 IonicContact OD2-NH2 3.39Å; D62-R66 PolarHBondContact OD2-NH2 3.42Å; D62-N168 PolarHBondContact N-O 3.17Å; D62-N168 VanDerWaalsContact N-O 3.09Å
63	L	96.4	Very high	95.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	148.5	175	-168.2	63.7	0	0	0	111.1	I53 G57 V60 T61 R65 F93 Y94 A97 M161	I53-L63 HydrophobicContact CG2-CD2 4Å; G57-L63 VanDerWaalsContact O-CD2 3.29Å; G57-L63 WeakPolarHBondContact O-CD2 3.44Å; V60-L63 HydrophobicContact CB-CB 4.33Å; V60-L63 HydrophobicContact CG1-CD1 4.49Å; V60-L63 WeakPolarHBondContact O-CB 3.38Å; V60-L63 PolarHBondContact O-N 2.87Å; T61-L63 PolarHBondContact O-N 3.41Å; L63-R65 PolarHBondContact O-N 2.96Å; L63-F93 HydrophobicContact CD1-CB 3.78Å; L63-F93 WeakPolarHBondContact CD1-O 3.36Å; L63-Y94 HydrophobicContact CD1-CD1 4.35Å; L63-A97 HydrophobicContact CD1-CB 3.6Å; L63-A97 HydrophobicContact CG-CB 4.04Å; L63-M161 HydrophobicContact CB-CE 3.86Å; L63-M161 HydrophobicContact CB-SD 4.39Å; L63-M161 HydrophobicContact CD2-SD 4.13Å; L63-M161 HydrophobicContact CG-SD 4.47Å
64	F	97.1	Very high	95.7	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	-22.3	-166.2	-64.6	-94	0	0	0	115.9	I53 A97 A100 K101 I157 W158 M161 V179	I53-F64 HydrophobicContact CG2-CE2 4.31Å; I53-F64 HydrophobicContact CG2-CZ 4.47Å; F64-A97 HydrophobicContact CD1-CB 3.92Å; F64-A97 HydrophobicContact CD2-CB 4.11Å; F64-A97 HydrophobicContact CE1-CB 3.97Å; F64-A97 HydrophobicContact CE2-CB 4.15Å; F64-A97 HydrophobicContact CG-CB 3.99Å; F64-A97 HydrophobicContact CZ-CB 4.08Å; F64-A100 HydrophobicContact CE1-CB 4.39Å; F64-K101 HydrophobicContact CD1-CD 4.08Å; F64-K101 HydrophobicContact CD1-CG 3.83Å; F64-K101 HydrophobicContact CE1-CG 4.31Å; F64-K101 PolarHBondContact O-NZ 2.73Å; F64-I157 HydrophobicContact CE2-CG2 3.84Å; F64-I157 HydrophobicContact CZ-CG2 4.16Å; F64-W158 AromaticContact CD1-NE1 3.8Å; F64-W158 AromaticContact CD2-NE1 3.82Å; F64-W158 HydrophobicContact CE1-CZ2 4.46Å; F64-W158 AromaticContact CE1-NE1 3.57Å; F64-W158 AromaticContact CE2-CD1 3.92Å; F64-W158 AromaticContact CE2-NE1 3.6Å; F64-W158 AromaticContact CG-NE1 3.94Å; F64-W158 AromaticContact CZ-NE1 3.47Å; F64-M161 HydrophobicContact CD2-CE 3.98Å; F64-M161 HydrophobicContact CD2-SD 3.56Å; F64-M161 VanDerWaalsContact CD2-SD 3.56Å; F64-M161 HydrophobicContact CE2-SD 3.7Å; F64-V179 HydrophobicContact CB-CG1 3.77Å; F64-V179 HydrophobicContact CD1-CG1 3.73Å; F64-V179 HydrophobicContact CG-CG1 3.93Å
65	R	96.5	Very high	95.7	Very high	116 Å²	116	63.5 Å²	63.5	44%	0.438	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-46	176.3	-168.5	173.7	83.8	-158.2	13.7	112.9	D62 L63 M170	D62-R65 HydrophobicContact CB-CB 4.3Å; D62-R65 WeakPolarHBondContact O-CB 3.5Å; D62-R65 PolarHBondContact O-N 3.22Å; D62-R65 VanDerWaalsContact O-N 3.08Å; D62-R65 IonicContact OD1-CZ 2.66Å; D62-R65 IonicContact OD1-NE 3.49Å; D62-R65 IonicContact OD1-NH1 2.73Å; D62-R65 IonicContact OD1-NH2 3.41Å; D62-R65 PolarHBondContact OD1-NH2 2.9Å; D62-R65 IonicContact OD2-CZ 2.99Å; D62-R65 IonicContact OD2-NE 3.16Å; D62-R65 IonicContact OD2-NH2 2.84Å; D62-R65 PolarHBondContact OD2-NH2 2.85Å; L63-R65 PolarHBondContact O-N 2.96Å; R65-M170 HydrophobicContact CB-CE 3.79Å; R65-M170 HydrophobicContact CB-SD 3.85Å; R65-M170 HydrophobicContact CG-SD 4.42Å; R65-M170 PolarHBondContact NH1-SD 2.9Å
66	R	96	Very high	95.8	Very high	99 Å²	99	59.1 Å²	59.1	37%	0.374	29%	0.293	S	S	.	.	S	Bend	trans	-75.2	143.5	-179.8	-81.9	175.5	-166.6	171.5	9.9	112.6	D62 Y94	D62-R66 HydrophobicContact CB-CB 4.4Å; D62-R66 HydrophobicContact CB-CG 3.64Å; D62-R66 VanDerWaalsContact CG-NE 3.35Å; D62-R66 VanDerWaalsContact CG-NH2 3.31Å; D62-R66 PolarHBondContact O-N 3.41Å; D62-R66 IonicContact OD1-NH2 3.77Å; D62-R66 IonicContact OD2-CZ 3.63Å; D62-R66 IonicContact OD2-NE 2.66Å; D62-R66 PolarHBondContact OD2-NE 3.22Å; D62-R66 IonicContact OD2-NH2 3.39Å; D62-R66 PolarHBondContact OD2-NH2 3.42Å; R66-Y94 HydrophobicContact CB-CD1 3.63Å; R66-Y94 HydrophobicContact CB-CE1 3.82Å; R66-Y94 HydrophobicContact CB-CG 4.12Å; R66-Y94 HydrophobicContact CG-CE1 4.31Å; R66-Y94 PolarHBondContact NH1-OH 2.96Å
67	P	95.7	Very high	95.7	Very high	104 Å²	104	54.7 Å²	54.7	68%	0.675	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-76.1	135	174.3	31.3	-34	0	0	0	111.8
68	G	95.7	Very high	95.7	Very high	8 Å²	8	57.2 Å²	57.2	8%	0.082	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-78.7	171.9	170.1	0	0	0	0	0	114.9	Q70 Y94 N98	G68-Q70 PolarHBondContact O-N 3.48Å; G68-Q70 PolarHBondContact O-NE2 3.1Å; G68-Y94 WeakPolarHBondContact CA-O 3.29Å; G68-N98 PolarHBondContact N-ND2 2.88Å
69	N	97.2	Very high	95.7	Very high	68 Å²	68	57.8 Å²	57.8	36%	0.364	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-67	122.7	-179.7	179.5	6.3	0	0	0	111.3	Q71 D72 M73 T95	N69-Q71 VanDerWaalsContact C-N 3.29Å; N69-Q71 PolarHBondContact O-N 3.18Å; N69-Q71 PolarHBondContact OD1-N 3.04Å; N69-D72 HydrophobicContact CB-CB 4.14Å; N69-D72 VanDerWaalsContact CB-OD2 3.27Å; N69-D72 WeakPolarHBondContact CB-OD2 3.38Å; N69-D72 PolarHBondContact ND2-OD1 2.97Å; N69-D72 PolarHBondContact ND2-OD2 3.17Å; N69-D72 PolarHBondContact O-N 3.37Å; N69-M73 WeakPolarHBondContact O-CB 3.45Å; N69-M73 VanDerWaalsContact O-CG 3.28Å; N69-M73 WeakPolarHBondContact O-CG 3.45Å; N69-M73 PolarHBondContact O-N 3.19Å; N69-T95 PolarHBondContact N-OG1 2.91Å; N69-T95 VanDerWaalsContact N-OG1 3.09Å
70	Q	96.4	Very high	95.7	Very high	103 Å²	103	55.7 Å²	55.7	48%	0.481	28%	0.275	S	S	.	.	H	α-helix	trans	-68.9	-23.8	-177.3	-59.8	-55.8	-64.5	0	0	113.8	G68 M73 K74	G68-Q70 PolarHBondContact O-N 3.48Å; G68-Q70 PolarHBondContact O-NE2 3.1Å; Q70-M73 PolarHBondContact NE2-SD 3.49Å; Q70-M73 VanDerWaalsContact NE2-SD 3.35Å; Q70-K74 WeakPolarHBondContact O-CG 3.46Å; Q70-K74 PolarHBondContact O-N 3.37Å
71	Q	97.3	Very high	95.5	Very high	153 Å²	153	58.5 Å²	58.5	72%	0.715	29%	0.286	S	S	*	.	H	α-helix	trans	-74.7	-51.1	174.9	-65.6	-179	-9	0	0	110.5	N69 M73 K74 K75	N69-Q71 VanDerWaalsContact C-N 3.29Å; N69-Q71 PolarHBondContact O-N 3.18Å; N69-Q71 PolarHBondContact OD1-N 3.04Å; Q71-M73 VanDerWaalsContact C-N 3.3Å; Q71-M73 PolarHBondContact O-N 3.33Å; Q71-K74 PolarHBondContact O-N 3.02Å; Q71-K74 VanDerWaalsContact O-N 3.16Å; Q71-K75 PolarHBondContact O-N 3.31Å
72	D	97.4	Very high	95.3	Very high	46 Å²	46	57.4 Å²	57.4	25%	0.246	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-41.2	175.7	-60.2	-28.3	0	0	0	111.6	N69 K74 K75 I76 Y91 T95	N69-D72 HydrophobicContact CB-CB 4.14Å; N69-D72 VanDerWaalsContact CB-OD2 3.27Å; N69-D72 WeakPolarHBondContact CB-OD2 3.38Å; N69-D72 PolarHBondContact ND2-OD1 2.97Å; N69-D72 PolarHBondContact ND2-OD2 3.17Å; N69-D72 PolarHBondContact O-N 3.37Å; D72-K74 VanDerWaalsContact C-N 3.35Å; D72-K74 PolarHBondContact O-N 2.9Å; D72-K75 WeakPolarHBondContact O-CB 3.48Å; D72-K75 PolarHBondContact O-N 3.13Å; D72-I76 WeakPolarHBondContact O-CB 3.44Å; D72-I76 VanDerWaalsContact O-CG1 3.28Å; D72-I76 WeakPolarHBondContact O-CG1 3.28Å; D72-I76 PolarHBondContact O-N 3.21Å; D72-Y91 HydrophobicContact CB-CD1 3.86Å; D72-Y91 HydrophobicContact CB-CE1 4.07Å; D72-T95 HydrophobicContact CB-CG2 3.64Å
73	M	96.1	Very high	94.9	Very high	10 Å²	10	57.5 Å²	57.5	5%	0.049	29%	0.288	C	S	.	.	H	α-helix	trans	-57.9	-45.3	175.8	-76.6	-179	67.2	0	0	112.1	N69 Q70 Q71 I77 T95 N98 I99	N69-M73 WeakPolarHBondContact O-CB 3.45Å; N69-M73 VanDerWaalsContact O-CG 3.28Å; N69-M73 WeakPolarHBondContact O-CG 3.45Å; N69-M73 PolarHBondContact O-N 3.19Å; Q70-M73 PolarHBondContact NE2-SD 3.49Å; Q70-M73 VanDerWaalsContact NE2-SD 3.35Å; Q71-M73 VanDerWaalsContact C-N 3.3Å; Q71-M73 PolarHBondContact O-N 3.33Å; M73-I77 WeakPolarHBondContact O-CD1 3.4Å; M73-I77 WeakPolarHBondContact O-CG1 3.39Å; M73-I77 PolarHBondContact O-N 3.26Å; M73-I77 VanDerWaalsContact O-N 3.08Å; M73-T95 HydrophobicContact CG-CG2 3.9Å; M73-N98 HydrophobicContact CE-CB 3.84Å; M73-N98 HydrophobicContact SD-CB 3.69Å; M73-I99 HydrophobicContact CB-CD1 4.11Å; M73-I99 HydrophobicContact CG-CD1 4.14Å; M73-I99 HydrophobicContact CG-CG1 4.3Å
74	K	95.7	Very high	94.7	Very high	157 Å²	157	62.6 Å²	62.6	68%	0.683	31%	0.307	S	S	*	.	H	α-helix	trans	-63.9	-40.9	177.4	-74.5	175.1	178.5	-173.8	0	111.9	Q70 Q71 D72 S78	Q70-K74 WeakPolarHBondContact O-CG 3.46Å; Q70-K74 PolarHBondContact O-N 3.37Å; Q71-K74 PolarHBondContact O-N 3.02Å; Q71-K74 VanDerWaalsContact O-N 3.16Å; D72-K74 VanDerWaalsContact C-N 3.35Å; D72-K74 PolarHBondContact O-N 2.9Å; K74-S78 PolarHBondContact O-N 3.01Å; K74-S78 VanDerWaalsContact O-N 3.16Å
75	K	96.4	Very high	94.3	Very high	109 Å²	109	67.5 Å²	67.5	47%	0.474	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-52.4	176.4	-176.6	-170	171.2	-157.8	0	111.2	Q71 D72 I77 S78 D79 Y91	Q71-K75 PolarHBondContact O-N 3.31Å; D72-K75 WeakPolarHBondContact O-CB 3.48Å; D72-K75 PolarHBondContact O-N 3.13Å; K75-I77 VanDerWaalsContact C-N 3.33Å; K75-I77 PolarHBondContact O-N 3.12Å; K75-S78 PolarHBondContact O-N 3.27Å; K75-D79 VanDerWaalsContact O-CG 3.31Å; K75-D79 PolarHBondContact O-N 2.84Å; K75-Y91 HydrophobicContact CD-CE1 4.39Å; K75-Y91 WeakPolarHBondContact CD-OH 3.4Å; K75-Y91 WeakPolarHBondContact CE-OH 3.46Å; K75-Y91 PolarHBondContact NZ-OH 2.91Å
76	I	96.1	Very high	94.2	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.5	-42.5	180	-68.9	163	0	0	0	111.4	D72 D79 L80 I86 W88 Y91 T95 L96 I99	D72-I76 WeakPolarHBondContact O-CB 3.44Å; D72-I76 VanDerWaalsContact O-CG1 3.28Å; D72-I76 WeakPolarHBondContact O-CG1 3.28Å; D72-I76 PolarHBondContact O-N 3.21Å; I76-D79 PolarHBondContact O-N 3.31Å; I76-L80 HydrophobicContact CG2-CD1 4.06Å; I76-L80 HydrophobicContact CG2-CG 4.32Å; I76-L80 WeakPolarHBondContact O-CB 3.26Å; I76-L80 VanDerWaalsContact O-CG 3.32Å; I76-L80 WeakPolarHBondContact O-CG 3.47Å; I76-L80 PolarHBondContact O-N 3.44Å; I76-I86 HydrophobicContact CG2-CD1 3.9Å; I76-W88 HydrophobicContact CG2-CZ3 4.07Å; I76-Y91 HydrophobicContact CD1-CD1 3.87Å; I76-Y91 HydrophobicContact CD1-CD2 3.98Å; I76-Y91 HydrophobicContact CD1-CE1 4.03Å; I76-Y91 HydrophobicContact CD1-CE2 4.14Å; I76-Y91 HydrophobicContact CD1-CG 3.83Å; I76-Y91 HydrophobicContact CG1-CD1 4.37Å; I76-Y91 HydrophobicContact CG1-CD2 4.28Å; I76-Y91 HydrophobicContact CG1-CE1 4.01Å; I76-Y91 HydrophobicContact CG1-CE2 3.93Å; I76-Y91 HydrophobicContact CG1-CG 4.47Å; I76-T95 HydrophobicContact CD1-CG2 3.66Å; I76-L96 HydrophobicContact CD1-CD2 4.41Å; I76-I99 HydrophobicContact CB-CD1 4.1Å; I76-I99 HydrophobicContact CB-CG1 4.26Å; I76-I99 HydrophobicContact CD1-CG1 4.19Å; I76-I99 HydrophobicContact CG2-CD1 3.89Å; I76-I99 HydrophobicContact CG2-CG1 3.84Å; I76-I99 HydrophobicContact CG2-CG2 4Å
77	I	93.7	Very high	94.2	Very high	17 Å²	17	66.1 Å²	66.1	9%	0.087	34%	0.335	C	S	.	.	H	α-helix	trans	-61.4	-48.5	177.1	-67.5	162.1	0	0	0	110.5	F29 M73 K75 D79 L80 E81 I99	F29-I77 HydrophobicContact CD2-CG2 4.27Å; F29-I77 HydrophobicContact CE2-CG2 4.05Å; F29-I77 HydrophobicContact CZ-CG1 4.4Å; M73-I77 WeakPolarHBondContact O-CD1 3.4Å; M73-I77 WeakPolarHBondContact O-CG1 3.39Å; M73-I77 PolarHBondContact O-N 3.26Å; M73-I77 VanDerWaalsContact O-N 3.08Å; K75-I77 VanDerWaalsContact C-N 3.33Å; K75-I77 PolarHBondContact O-N 3.12Å; I77-D79 VanDerWaalsContact C-N 3.3Å; I77-D79 PolarHBondContact O-N 3.09Å; I77-L80 PolarHBondContact O-N 2.86Å; I77-E81 HydrophobicContact CG2-CG 4.28Å; I77-E81 WeakPolarHBondContact CG2-OE1 3.26Å; I77-E81 WeakPolarHBondContact O-CB 3.46Å; I77-E81 WeakPolarHBondContact O-CG 3.27Å; I77-E81 PolarHBondContact O-N 3.23Å; I77-I99 HydrophobicContact CD1-CD1 4.08Å; I77-I99 HydrophobicContact CG1-CD1 3.72Å
78	S	94.1	Very high	94.2	Very high	54 Å²	54	62 Å²	62	38%	0.378	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-36.6	176.7	-177.2	0	0	0	0	113	K74 K75 A82 R84	K74-S78 PolarHBondContact O-N 3.01Å; K74-S78 VanDerWaalsContact O-N 3.16Å; K75-S78 PolarHBondContact O-N 3.27Å; S78-A82 WeakPolarHBondContact O-CB 3.34Å; S78-A82 PolarHBondContact O-N 3.43Å; S78-R84 VanDerWaalsContact C-NH2 3.28Å; S78-R84 PolarHBondContact O-NH2 2.69Å; S78-R84 PolarHBondContact OG-NH2 2.99Å; S78-R84 VanDerWaalsContact OG-NH2 3.09Å
79	D	93.9	Very high	94.2	Very high	20 Å²	20	66.1 Å²	66.1	11%	0.107	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-45.9	175.3	-69.5	-24.5	0	0	0	111	K75 I76 I77 A82 G83 R84 I86	K75-D79 VanDerWaalsContact O-CG 3.31Å; K75-D79 PolarHBondContact O-N 2.84Å; I76-D79 PolarHBondContact O-N 3.31Å; I77-D79 VanDerWaalsContact C-N 3.3Å; I77-D79 PolarHBondContact O-N 3.09Å; D79-A82 PolarHBondContact O-N 3.3Å; D79-G83 PolarHBondContact O-N 2.84Å; D79-R84 HydrophobicContact CB-CB 4.25Å; D79-R84 PolarHBondContact O-N 3.22Å; D79-R84 IonicContact OD1-CZ 3.14Å; D79-R84 IonicContact OD1-NE 2.73Å; D79-R84 PolarHBondContact OD1-NE 3.47Å; D79-R84 IonicContact OD1-NH2 2.71Å; D79-R84 PolarHBondContact OD1-NH2 2.99Å; D79-I86 HydrophobicContact CB-CD1 3.51Å; D79-I86 HydrophobicContact CB-CG1 3.81Å
80	L	92.2	Very high	94.1	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-44.7	177.7	-76	179.6	0	0	0	113.4	V27 F29 Q45 I46 I76 I77 G83 I86 W88 I99	V27-L80 HydrophobicContact CB-CB 4.17Å; V27-L80 HydrophobicContact CG2-CB 4.26Å; V27-L80 HydrophobicContact CG2-CD2 3.93Å; V27-L80 PolarHBondContact N-O 2.93Å; V27-L80 VanDerWaalsContact N-O 3.08Å; F29-L80 HydrophobicContact CE2-CB 4.13Å; F29-L80 HydrophobicContact CE2-CD1 4.35Å; F29-L80 HydrophobicContact CZ-CD1 3.89Å; Q45-L80 HydrophobicContact CB-CD2 3.56Å; Q45-L80 HydrophobicContact CG-CD2 4.24Å; I46-L80 HydrophobicContact CD1-CD1 4.25Å; I76-L80 HydrophobicContact CG2-CD1 4.06Å; I76-L80 HydrophobicContact CG2-CG 4.32Å; I76-L80 WeakPolarHBondContact O-CB 3.26Å; I76-L80 VanDerWaalsContact O-CG 3.32Å; I76-L80 WeakPolarHBondContact O-CG 3.47Å; I76-L80 PolarHBondContact O-N 3.44Å; I77-L80 PolarHBondContact O-N 2.86Å; L80-G83 PolarHBondContact O-N 2.93Å; L80-I86 HydrophobicContact CD2-CD1 3.73Å; L80-I86 HydrophobicContact CG-CD1 3.65Å; L80-W88 HydrophobicContact CD2-CH2 4.1Å; L80-I99 HydrophobicContact CD1-CG2 4.25Å
81	E	91	Very high	94.2	Very high	90 Å²	90	62.7 Å²	62.7	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-67	-39	178.3	-72	170.5	161.7	0	0	111.7	R26 F29 I77 G83	R26-E81 WeakPolarHBondContact CD-O 3.46Å; R26-E81 VanDerWaalsContact CG-O 3.23Å; R26-E81 WeakPolarHBondContact CG-O 3.39Å; F29-E81 HydrophobicContact CD2-CG 3.7Å; F29-E81 HydrophobicContact CE2-CG 3.98Å; I77-E81 HydrophobicContact CG2-CG 4.28Å; I77-E81 WeakPolarHBondContact CG2-OE1 3.26Å; I77-E81 WeakPolarHBondContact O-CB 3.46Å; I77-E81 WeakPolarHBondContact O-CG 3.27Å; I77-E81 PolarHBondContact O-N 3.23Å; E81-G83 VanDerWaalsContact C-N 3.3Å; E81-G83 PolarHBondContact O-N 2.77Å
82	A	90.8	Very high	94.1	Very high	33 Å²	33	59.6 Å²	59.6	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-69.4	-29	175.1	0	0	0	0	0	112.7	R26 S78 D79 R84	R26-A82 PolarHBondContact NE-O 2.83Å; S78-A82 WeakPolarHBondContact O-CB 3.34Å; S78-A82 PolarHBondContact O-N 3.43Å; D79-A82 PolarHBondContact O-N 3.3Å; A82-R84 HydrophobicContact CB-CG 4.01Å; A82-R84 VanDerWaalsContact CB-NH1 3.26Å
83	G	88	Confident	94.1	Very high	18 Å²	18	59 Å²	59	19%	0.186	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	32.8	-171.8	0	0	0	0	0	112.6	D79 L80 E81	D79-G83 PolarHBondContact O-N 2.84Å; L80-G83 PolarHBondContact O-N 2.93Å; E81-G83 VanDerWaalsContact C-N 3.3Å; E81-G83 PolarHBondContact O-N 2.77Å
84	R	90.6	Very high	94.2	Very high	107 Å²	107	60.3 Å²	60.3	40%	0.404	30%	0.301	S	S	.	.			trans	-83.6	143.9	174.4	-65.9	-171.7	-68.4	-97.5	1	109.8	S78 D79 A82	S78-R84 VanDerWaalsContact C-NH2 3.28Å; S78-R84 PolarHBondContact O-NH2 2.69Å; S78-R84 PolarHBondContact OG-NH2 2.99Å; S78-R84 VanDerWaalsContact OG-NH2 3.09Å; D79-R84 HydrophobicContact CB-CB 4.25Å; D79-R84 PolarHBondContact O-N 3.22Å; D79-R84 IonicContact OD1-CZ 3.14Å; D79-R84 IonicContact OD1-NE 2.73Å; D79-R84 PolarHBondContact OD1-NE 3.47Å; D79-R84 IonicContact OD1-NH2 2.71Å; D79-R84 PolarHBondContact OD1-NH2 2.99Å; A82-R84 HydrophobicContact CB-CG 4.01Å; A82-R84 VanDerWaalsContact CB-NH1 3.26Å
85	P	89.8	Confident	94.3	Very high	104 Å²	104	53 Å²	53	68%	0.675	27%	0.269	S	S	*	.			trans	-66.6	134.9	175.4	27.2	-33.7	0	0	0	111.3	L24	L24-P85 VanDerWaalsContact CD1-CA 3.44Å; L24-P85 HydrophobicContact CD1-CB 3.58Å
86	I	94.3	Very high	94.4	Very high	14 Å²	14	47.8 Å²	47.8	7%	0.072	25%	0.247	C	C	.	.			trans	-114.2	127.4	177.9	-49.3	-171.5	0	0	0	110.1	Q45 I76 D79 L80 W88 Y91	Q45-I86 VanDerWaalsContact OE1-N 3.13Å; I76-I86 HydrophobicContact CG2-CD1 3.9Å; D79-I86 HydrophobicContact CB-CD1 3.51Å; D79-I86 HydrophobicContact CB-CG1 3.81Å; L80-I86 HydrophobicContact CD2-CD1 3.73Å; L80-I86 HydrophobicContact CG-CD1 3.65Å; I86-W88 HydrophobicContact CB-CE3 4.3Å; I86-W88 HydrophobicContact CB-CH2 3.9Å; I86-W88 HydrophobicContact CB-CZ2 4.09Å; I86-W88 HydrophobicContact CB-CZ3 4.02Å; I86-W88 HydrophobicContact CD1-CH2 3.88Å; I86-W88 HydrophobicContact CD1-CZ3 4.16Å; I86-W88 HydrophobicContact CG1-CH2 4.36Å; I86-W88 HydrophobicContact CG2-CD2 4.27Å; I86-W88 HydrophobicContact CG2-CE3 3.7Å; I86-W88 HydrophobicContact CG2-CH2 4.02Å; I86-W88 HydrophobicContact CG2-CZ3 3.58Å; I86-Y91 HydrophobicContact CG2-CD2 4.32Å; I86-Y91 HydrophobicContact CG2-CE2 3.67Å
87	R	94.9	Very high	94.5	Very high	172 Å²	172	47.8 Å²	47.8	65%	0.649	25%	0.247	S	C	*	.			trans	-86.3	106.1	167.9	-61.4	-167.6	-53.6	-165	3.9	108.6	T89 D90 Y91	R87-T89 PolarHBondContact O-N 2.72Å; R87-D90 HydrophobicContact CB-CB 4.5Å; R87-D90 WeakPolarHBondContact CB-OD1 3.48Å; R87-D90 IonicContact CZ-OD1 3.53Å; R87-D90 IonicContact CZ-OD2 3.4Å; R87-D90 IonicContact NE-OD1 2.74Å; R87-D90 PolarHBondContact NE-OD1 3.29Å; R87-D90 VanDerWaalsContact NE-OD1 3.09Å; R87-D90 IonicContact NE-OD2 3.51Å; R87-D90 PolarHBondContact NE-OD2 3.06Å; R87-D90 IonicContact NH2-OD1 3.65Å; R87-D90 PolarHBondContact NH2-OD1 3.3Å; R87-D90 IonicContact NH2-OD2 2.67Å; R87-D90 PolarHBondContact NH2-OD2 3.12Å; R87-D90 WeakPolarHBondContact O-CB 3.28Å; R87-D90 PolarHBondContact O-N 2.95Å; R87-D90 VanDerWaalsContact O-N 3.15Å; R87-Y91 WeakPolarHBondContact O-CD2 3.4Å
88	W	96.2	Very high	94.6	Very high	18 Å²	18	48 Å²	48	7%	0.068	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-63.6	-29.8	-177.1	-55.3	121.3	0	0	0	113.2	Q45 L49 Y52 I76 L80 I86 D90 Y91 L96	Q45-W88 HydrophobicContact CB-CZ2 4.14Å; Q45-W88 WeakPolarHBondContact O-CZ2 3.46Å; L49-W88 HydrophobicContact CB-CD2 4.25Å; L49-W88 HydrophobicContact CB-CH2 4.1Å; L49-W88 HydrophobicContact CB-CZ2 3.83Å; L49-W88 HydrophobicContact CB-CZ3 4.44Å; L49-W88 HydrophobicContact CD1-CD2 4.11Å; L49-W88 HydrophobicContact CD1-CE3 3.81Å; L49-W88 HydrophobicContact CD1-CH2 4.47Å; L49-W88 HydrophobicContact CD1-CZ3 3.99Å; L49-W88 HydrophobicContact CD2-CH2 4.46Å; Y52-W88 HydrophobicContact CD1-CB 3.5Å; Y52-W88 VanDerWaalsContact CD1-CB 3.5Å; Y52-W88 HydrophobicContact CD1-CG 4.45Å; Y52-W88 HydrophobicContact CD2-CB 4.49Å; Y52-W88 HydrophobicContact CE1-CB 3.89Å; Y52-W88 HydrophobicContact CG-CB 3.84Å; I76-W88 HydrophobicContact CG2-CZ3 4.07Å; L80-W88 HydrophobicContact CD2-CH2 4.1Å; I86-W88 HydrophobicContact CB-CE3 4.3Å; I86-W88 HydrophobicContact CB-CH2 3.9Å; I86-W88 HydrophobicContact CB-CZ2 4.09Å; I86-W88 HydrophobicContact CB-CZ3 4.02Å; I86-W88 HydrophobicContact CD1-CH2 3.88Å; I86-W88 HydrophobicContact CD1-CZ3 4.16Å; I86-W88 HydrophobicContact CG1-CH2 4.36Å; I86-W88 HydrophobicContact CG2-CD2 4.27Å; I86-W88 HydrophobicContact CG2-CE3 3.7Å; I86-W88 HydrophobicContact CG2-CH2 4.02Å; I86-W88 HydrophobicContact CG2-CZ3 3.58Å; W88-D90 PolarHBondContact O-N 3.37Å; W88-Y91 PolarHBondContact O-N 2.74Å; W88-L96 HydrophobicContact CB-CD1 4.27Å; W88-L96 HydrophobicContact CE3-CD2 3.71Å; W88-L96 HydrophobicContact CZ3-CD2 4.29Å
89	T	96.1	Very high	94.8	Very high	93 Å²	93	45.5 Å²	45.5	57%	0.571	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-56.7	-23.4	173	50.2	0	0	0	0	114.6	Y52 R87 Y91	Y52-T89 HydrophobicContact CE2-CG2 3.96Å; R87-T89 PolarHBondContact O-N 2.72Å; T89-Y91 PolarHBondContact O-N 2.7Å
90	D	96	Very high	94.9	Very high	79 Å²	79	44.7 Å²	44.7	42%	0.422	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-79.8	-2.9	-176.9	-61.7	13.5	0	0	0	112.3	R87 W88	R87-D90 HydrophobicContact CB-CB 4.5Å; R87-D90 WeakPolarHBondContact CB-OD1 3.48Å; R87-D90 IonicContact CZ-OD1 3.53Å; R87-D90 IonicContact CZ-OD2 3.4Å; R87-D90 IonicContact NE-OD1 2.74Å; R87-D90 PolarHBondContact NE-OD1 3.29Å; R87-D90 VanDerWaalsContact NE-OD1 3.09Å; R87-D90 IonicContact NE-OD2 3.51Å; R87-D90 PolarHBondContact NE-OD2 3.06Å; R87-D90 IonicContact NH2-OD1 3.65Å; R87-D90 PolarHBondContact NH2-OD1 3.3Å; R87-D90 IonicContact NH2-OD2 2.67Å; R87-D90 PolarHBondContact NH2-OD2 3.12Å; R87-D90 WeakPolarHBondContact O-CB 3.28Å; R87-D90 PolarHBondContact O-N 2.95Å; R87-D90 VanDerWaalsContact O-N 3.15Å; W88-D90 PolarHBondContact O-N 3.37Å
91	Y	97	Very high	95	Very high	21 Å²	21	46.1 Å²	46.1	8%	0.082	23%	0.233	C	C	.	.	S	Bend	trans	-133.5	145.6	-171.7	-56.4	-78.3	0	0	0	112.9	D72 K75 I76 I86 R87 W88 T89	D72-Y91 HydrophobicContact CB-CD1 3.86Å; D72-Y91 HydrophobicContact CB-CE1 4.07Å; K75-Y91 HydrophobicContact CD-CE1 4.39Å; K75-Y91 WeakPolarHBondContact CD-OH 3.4Å; K75-Y91 WeakPolarHBondContact CE-OH 3.46Å; K75-Y91 PolarHBondContact NZ-OH 2.91Å; I76-Y91 HydrophobicContact CD1-CD1 3.87Å; I76-Y91 HydrophobicContact CD1-CD2 3.98Å; I76-Y91 HydrophobicContact CD1-CE1 4.03Å; I76-Y91 HydrophobicContact CD1-CE2 4.14Å; I76-Y91 HydrophobicContact CD1-CG 3.83Å; I76-Y91 HydrophobicContact CG1-CD1 4.37Å; I76-Y91 HydrophobicContact CG1-CD2 4.28Å; I76-Y91 HydrophobicContact CG1-CE1 4.01Å; I76-Y91 HydrophobicContact CG1-CE2 3.93Å; I76-Y91 HydrophobicContact CG1-CG 4.47Å; I86-Y91 HydrophobicContact CG2-CD2 4.32Å; I86-Y91 HydrophobicContact CG2-CE2 3.67Å; R87-Y91 WeakPolarHBondContact O-CD2 3.4Å; W88-Y91 PolarHBondContact O-N 2.74Å; T89-Y91 PolarHBondContact O-N 2.7Å
92	N	96.5	Very high	95.2	Very high	87 Å²	87	46.2 Å²	46.2	47%	0.465	23%	0.229	S	C	.	.			trans	-65.3	137.7	176.4	-174.9	-42.8	0	0	0	111.7	Y94 T95 L96	N92-Y94 PolarHBondContact O-N 2.95Å; N92-Y94 VanDerWaalsContact O-N 3.08Å; N92-Y94 WeakPolarHBondContact OD1-CD2 2.89Å; N92-Y94 PolarHBondContact OD1-N 3.01Å; N92-T95 WeakPolarHBondContact O-CA 3.31Å; N92-T95 VanDerWaalsContact O-CB 3.25Å; N92-T95 WeakPolarHBondContact O-CB 3.26Å; N92-T95 PolarHBondContact O-N 2.9Å; N92-L96 PolarHBondContact O-N 3.32Å; N92-L96 VanDerWaalsContact O-N 3.15Å
93	F	97.8	Very high	95.2	Very high	34 Å²	34	44.8 Å²	44.8	15%	0.149	22%	0.217	C	C	.	.	H	α-helix	trans	-51.2	-30.6	176.3	-69.7	-76.9	0	0	0	114.8	Y52 I53 E56 V60 L63 T95 L96 A97	Y52-F93 AromaticContact CD1-CE1 3.77Å; Y52-F93 HydrophobicContact CD1-CE1 3.77Å; Y52-F93 HydrophobicContact CD1-CZ 4.36Å; Y52-F93 HydrophobicContact CE1-CD1 4.26Å; Y52-F93 AromaticContact CE1-CE1 3.34Å; Y52-F93 HydrophobicContact CE1-CE1 3.34Å; Y52-F93 AromaticContact CE1-CZ 3.55Å; Y52-F93 HydrophobicContact CE1-CZ 3.55Å; Y52-F93 AromaticContact CZ-CE1 3.98Å; Y52-F93 AromaticContact CZ-CZ 3.72Å; I53-F93 HydrophobicContact CG1-CD1 4.47Å; E56-F93 HydrophobicContact CB-CE1 4.16Å; E56-F93 HydrophobicContact CB-CZ 3.61Å; V60-F93 HydrophobicContact CG1-CB 4.4Å; V60-F93 HydrophobicContact CG2-CB 4.22Å; V60-F93 HydrophobicContact CG2-CD2 3.78Å; V60-F93 HydrophobicContact CG2-CE2 4.44Å; V60-F93 HydrophobicContact CG2-CG 4.09Å; L63-F93 HydrophobicContact CD1-CB 3.78Å; L63-F93 WeakPolarHBondContact CD1-O 3.36Å; F93-T95 VanDerWaalsContact C-N 3.32Å; F93-T95 PolarHBondContact O-N 3.28Å; F93-L96 HydrophobicContact CD1-CD1 4.16Å; F93-L96 HydrophobicContact CE1-CD1 4.45Å; F93-L96 PolarHBondContact O-N 3.48Å; F93-A97 WeakPolarHBondContact O-CB 3.46Å; F93-A97 PolarHBondContact O-N 2.53Å
94	Y	98	Very high	95.5	Very high	38 Å²	38	44.1 Å²	44.1	15%	0.149	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-37.3	172.7	-55.8	-51.2	0	0	0	112.8	V60 T61 L63 R66 G68 N92 N98	V60-Y94 HydrophobicContact CG1-CE1 3.85Å; T61-Y94 VanDerWaalsContact O-CE1 3.23Å; T61-Y94 WeakPolarHBondContact O-CE1 3.42Å; T61-Y94 PolarHBondContact O-OH 2.95Å; T61-Y94 PolarHBondContact OG1-OH 3.43Å; L63-Y94 HydrophobicContact CD1-CD1 4.35Å; R66-Y94 HydrophobicContact CB-CD1 3.63Å; R66-Y94 HydrophobicContact CB-CE1 3.82Å; R66-Y94 HydrophobicContact CB-CG 4.12Å; R66-Y94 HydrophobicContact CG-CE1 4.31Å; R66-Y94 PolarHBondContact NH1-OH 2.96Å; G68-Y94 WeakPolarHBondContact CA-O 3.29Å; N92-Y94 PolarHBondContact O-N 2.95Å; N92-Y94 VanDerWaalsContact O-N 3.08Å; N92-Y94 WeakPolarHBondContact OD1-CD2 2.89Å; N92-Y94 PolarHBondContact OD1-N 3.01Å; Y94-N98 WeakPolarHBondContact O-CB 3.21Å; Y94-N98 PolarHBondContact O-N 2.88Å
95	T	98	Very high	95.5	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-66.8	-45.7	172	-58.9	0	0	0	0	110.1	N69 D72 M73 I76 N92 F93 N98 I99	N69-T95 PolarHBondContact N-OG1 2.91Å; N69-T95 VanDerWaalsContact N-OG1 3.09Å; D72-T95 HydrophobicContact CB-CG2 3.64Å; M73-T95 HydrophobicContact CG-CG2 3.9Å; I76-T95 HydrophobicContact CD1-CG2 3.66Å; N92-T95 WeakPolarHBondContact O-CA 3.31Å; N92-T95 VanDerWaalsContact O-CB 3.25Å; N92-T95 WeakPolarHBondContact O-CB 3.26Å; N92-T95 PolarHBondContact O-N 2.9Å; F93-T95 VanDerWaalsContact C-N 3.32Å; F93-T95 PolarHBondContact O-N 3.28Å; T95-N98 PolarHBondContact O-N 2.84Å; T95-I99 WeakPolarHBondContact O-CG1 3.31Å; T95-I99 PolarHBondContact O-N 2.76Å
96	L	98	Very high	95.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-46.7	-178.5	-60.5	-173.9	0	0	0	113.1	L49 Y52 I53 I76 W88 N92 F93 N98 I99 A100	L49-L96 HydrophobicContact CD1-CB 3.8Å; L49-L96 HydrophobicContact CD1-CD1 4.42Å; L49-L96 HydrophobicContact CD1-CD2 3.89Å; L49-L96 HydrophobicContact CD1-CG 4.25Å; Y52-L96 HydrophobicContact CD1-CD1 3.66Å; Y52-L96 HydrophobicContact CE1-CD1 3.62Å; I53-L96 HydrophobicContact CD1-CB 4.11Å; I53-L96 HydrophobicContact CG1-CB 4.29Å; I76-L96 HydrophobicContact CD1-CD2 4.41Å; W88-L96 HydrophobicContact CB-CD1 4.27Å; W88-L96 HydrophobicContact CE3-CD2 3.71Å; W88-L96 HydrophobicContact CZ3-CD2 4.29Å; N92-L96 PolarHBondContact O-N 3.32Å; N92-L96 VanDerWaalsContact O-N 3.15Å; F93-L96 HydrophobicContact CD1-CD1 4.16Å; F93-L96 HydrophobicContact CE1-CD1 4.45Å; F93-L96 PolarHBondContact O-N 3.48Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 3.43Å; L96-I99 WeakPolarHBondContact O-CB 3.43Å; L96-I99 PolarHBondContact O-N 2.96Å; L96-I99 VanDerWaalsContact O-N 3.14Å; L96-A100 PolarHBondContact O-N 3.28Å
97	A	97.7	Very high	95.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-65.7	-33.5	176.1	0	0	0	0	0	112.5	L63 F64 F93 A100 K101	L63-A97 HydrophobicContact CD1-CB 3.6Å; L63-A97 HydrophobicContact CG-CB 4.04Å; F64-A97 HydrophobicContact CD1-CB 3.92Å; F64-A97 HydrophobicContact CD2-CB 4.11Å; F64-A97 HydrophobicContact CE1-CB 3.97Å; F64-A97 HydrophobicContact CE2-CB 4.15Å; F64-A97 HydrophobicContact CG-CB 3.99Å; F64-A97 HydrophobicContact CZ-CB 4.08Å; F93-A97 WeakPolarHBondContact O-CB 3.46Å; F93-A97 PolarHBondContact O-N 2.53Å; A97-A100 PolarHBondContact O-N 3.33Å; A97-K101 PolarHBondContact O-N 2.91Å
98	N	96.8	Very high	94.5	Very high	22 Å²	22	37.1 Å²	37.1	12%	0.118	18%	0.181	C	C	.	.	H	α-helix	trans	-69.7	-33.6	171.3	-98.5	9.4	0	0	0	112.8	G68 M73 Y94 T95 L96 K101 R102	G68-N98 PolarHBondContact N-ND2 2.88Å; M73-N98 HydrophobicContact CE-CB 3.84Å; M73-N98 HydrophobicContact SD-CB 3.69Å; Y94-N98 WeakPolarHBondContact O-CB 3.21Å; Y94-N98 PolarHBondContact O-N 2.88Å; T95-N98 PolarHBondContact O-N 2.84Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 3.43Å; N98-K101 WeakPolarHBondContact OD1-CE 3.38Å; N98-K101 PolarHBondContact OD1-NZ 2.84Å; N98-K101 VanDerWaalsContact OD1-NZ 3.16Å; N98-R102 WeakPolarHBondContact O-CB 3.3Å; N98-R102 PolarHBondContact O-N 3.46Å
99	I	96.7	Very high	93.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-42.8	171.1	-71.1	-67.2	0	0	0	110.6	L49 M73 I76 I77 L80 T95 L96 R102 Y103	L49-I99 HydrophobicContact CD2-CB 4.42Å; L49-I99 HydrophobicContact CD2-CG2 3.73Å; M73-I99 HydrophobicContact CB-CD1 4.11Å; M73-I99 HydrophobicContact CG-CD1 4.14Å; M73-I99 HydrophobicContact CG-CG1 4.3Å; I76-I99 HydrophobicContact CB-CD1 4.1Å; I76-I99 HydrophobicContact CB-CG1 4.26Å; I76-I99 HydrophobicContact CD1-CG1 4.19Å; I76-I99 HydrophobicContact CG2-CD1 3.89Å; I76-I99 HydrophobicContact CG2-CG1 3.84Å; I76-I99 HydrophobicContact CG2-CG2 4Å; I77-I99 HydrophobicContact CD1-CD1 4.08Å; I77-I99 HydrophobicContact CG1-CD1 3.72Å; L80-I99 HydrophobicContact CD1-CG2 4.25Å; T95-I99 WeakPolarHBondContact O-CG1 3.31Å; T95-I99 PolarHBondContact O-N 2.76Å; L96-I99 WeakPolarHBondContact O-CB 3.43Å; L96-I99 PolarHBondContact O-N 2.96Å; L96-I99 VanDerWaalsContact O-N 3.14Å; I99-R102 PolarHBondContact O-N 3.13Å; I99-Y103 PolarHBondContact O-N 2.98Å
100	A	96.4	Very high	93.7	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.033	18%	0.175	C	C	.	.	H	α-helix	trans	-57.6	-55.3	174.7	0	0	0	0	0	111.5	L49 L50 I53 F64 L96 A97 R102 Y103 L104	L49-A100 HydrophobicContact CD2-CB 4.5Å; L50-A100 HydrophobicContact CD2-CB 4.05Å; I53-A100 HydrophobicContact CD1-CB 4.45Å; F64-A100 HydrophobicContact CE1-CB 4.39Å; L96-A100 PolarHBondContact O-N 3.28Å; A97-A100 PolarHBondContact O-N 3.33Å; A100-R102 VanDerWaalsContact C-N 3.28Å; A100-R102 PolarHBondContact O-N 3.01Å; A100-Y103 WeakPolarHBondContact O-CB 3.21Å; A100-Y103 PolarHBondContact O-N 2.74Å; A100-Y103 VanDerWaalsContact O-N 3.17Å; A100-L104 WeakPolarHBondContact O-CG 3.49Å; A100-L104 PolarHBondContact O-N 3.29Å
101	K	95.5	Very high	93.5	Very high	31 Å²	31	30.4 Å²	30.4	14%	0.135	16%	0.155	C	C	.	.	H	α-helix	trans	-55.8	-41.3	174.8	-72.7	-171.9	-59.7	179.7	0	112.9	F64 A97 N98 Y103 L104 L105 V179	F64-K101 HydrophobicContact CD1-CD 4.08Å; F64-K101 HydrophobicContact CD1-CG 3.83Å; F64-K101 HydrophobicContact CE1-CG 4.31Å; F64-K101 PolarHBondContact O-NZ 2.73Å; A97-K101 PolarHBondContact O-N 2.91Å; N98-K101 WeakPolarHBondContact OD1-CE 3.38Å; N98-K101 PolarHBondContact OD1-NZ 2.84Å; N98-K101 VanDerWaalsContact OD1-NZ 3.16Å; K101-Y103 VanDerWaalsContact C-N 3.35Å; K101-L104 PolarHBondContact O-N 3.46Å; K101-L105 WeakPolarHBondContact O-CG 3.31Å; K101-L105 PolarHBondContact O-N 3.23Å; K101-V179 HydrophobicContact CD-CG1 4.34Å
102	R	93.5	Very high	93.3	Very high	92 Å²	92	30 Å²	30	35%	0.347	15%	0.154	S	C	.	.	H	α-helix	trans	-70.1	-29	-178.8	-178.7	161.7	176	154.7	7	112.8	N98 I99 A100 H106	N98-R102 WeakPolarHBondContact O-CB 3.3Å; N98-R102 PolarHBondContact O-N 3.46Å; I99-R102 PolarHBondContact O-N 3.13Å; A100-R102 VanDerWaalsContact C-N 3.28Å; A100-R102 PolarHBondContact O-N 3.01Å; R102-H106 VanDerWaalsContact CG-CD2 3.44Å; R102-H106 WeakPolarHBondContact CG-CD2 3.28Å; R102-H106 PolarHBondContact NE-NE2 2.73Å; R102-H106 VanDerWaalsContact NE-NE2 3.17Å; R102-H106 PolarHBondContact O-CD2 3.41Å; R102-H106 PolarHBondContact O-N 3.24Å
103	Y	92.7	Very high	93.1	Very high	4 Å²	4	27 Å²	27	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-63.5	-48.4	169.9	172.7	-109.4	0	0	0	110.8	V27 F29 S36 I46 I99 A100 K101 L105 H106 I107 L150	V27-Y103 HydrophobicContact CG1-CD2 3.87Å; V27-Y103 HydrophobicContact CG1-CE2 3.68Å; F29-Y103 HydrophobicContact CD1-CD2 4.27Å; F29-Y103 AromaticContact CE1-CD2 3.98Å; F29-Y103 HydrophobicContact CE1-CD2 3.98Å; S36-Y103 PolarHBondContact OG-OH 3.11Å; I46-Y103 HydrophobicContact CD1-CD1 4.25Å; I46-Y103 HydrophobicContact CD1-CD2 3.97Å; I46-Y103 HydrophobicContact CD1-CE2 4.42Å; I46-Y103 HydrophobicContact CD1-CG 3.88Å; I46-Y103 HydrophobicContact CG1-CD1 4.3Å; I46-Y103 HydrophobicContact CG1-CD2 4.21Å; I46-Y103 HydrophobicContact CG1-CE1 4.26Å; I46-Y103 HydrophobicContact CG1-CE2 4.16Å; I46-Y103 HydrophobicContact CG1-CG 4.29Å; I46-Y103 HydrophobicContact CG2-CD1 3.82Å; I46-Y103 HydrophobicContact CG2-CE1 3.8Å; I99-Y103 PolarHBondContact O-N 2.98Å; A100-Y103 WeakPolarHBondContact O-CB 3.21Å; A100-Y103 PolarHBondContact O-N 2.74Å; A100-Y103 VanDerWaalsContact O-N 3.17Å; K101-Y103 VanDerWaalsContact C-N 3.35Å; Y103-L105 PolarHBondContact O-N 3.23Å; Y103-H106 PolarHBondContact O-N 3.48Å; Y103-H106 VanDerWaalsContact O-N 3.16Å; Y103-I107 HydrophobicContact CE1-CD1 4.06Å; Y103-I107 PolarHBondContact O-N 2.95Å; Y103-L150 HydrophobicContact CE1-CD2 4.08Å
104	L	92.8	Very high	92.8	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-45.1	178.4	-48.7	178.3	0	0	0	112.3	A100 K101 H106 I107 I111 L150 L154 S182 V183	A100-L104 WeakPolarHBondContact O-CG 3.49Å; A100-L104 PolarHBondContact O-N 3.29Å; K101-L104 PolarHBondContact O-N 3.46Å; L104-H106 PolarHBondContact O-N 2.81Å; L104-I107 PolarHBondContact O-N 2.96Å; L104-I111 HydrophobicContact CB-CG2 3.75Å; L104-I111 HydrophobicContact CD1-CD1 4.32Å; L104-I111 HydrophobicContact CD2-CD1 4.13Å; L104-I111 HydrophobicContact CD2-CG2 3.95Å; L104-I111 HydrophobicContact CG-CG2 4.37Å; L104-L150 HydrophobicContact CD2-CD2 4.11Å; L104-L154 HydrophobicContact CD1-CD1 3.76Å; L104-L154 HydrophobicContact CD1-CD2 4.03Å; L104-L154 HydrophobicContact CD2-CD1 3.76Å; L104-L154 HydrophobicContact CG-CD1 4.41Å; L104-S182 WeakPolarHBondContact CB-O 3.43Å; L104-V183 HydrophobicContact CD1-CG2 4.35Å
105	L	90.6	Very high	92.6	Very high	86 Å²	86	34 Å²	34	45%	0.45	19%	0.185	S	C	.	.	H	α-helix	trans	-61.2	-22	176.7	-79.8	168.1	0	0	0	114.8	K101 Y103 G181	K101-L105 WeakPolarHBondContact O-CG 3.31Å; K101-L105 PolarHBondContact O-N 3.23Å; Y103-L105 PolarHBondContact O-N 3.23Å; L105-G181 VanDerWaalsContact CD2-O 3.26Å; L105-G181 WeakPolarHBondContact CD2-O 3.14Å
106	H	86.8	Confident	92.5	Very high	46 Å²	46	34.7 Å²	34.7	21%	0.213	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	16.8	179.9	-75.7	-53.6	0	0	0	112.4	F29 N30 R102 Y103 L104	F29-H106 HydrophobicContact CB-CB 4.01Å; F29-H106 HydrophobicContact CD1-CB 3.96Å; F29-H106 HydrophobicContact CG-CB 4.5Å; N30-H106 VanDerWaalsContact CA-O 3.24Å; N30-H106 WeakPolarHBondContact CA-O 3.17Å; N30-H106 PolarHBondContact N-O 3.37Å; N30-H106 PolarHBondContact OD1-ND1 2.99Å; R102-H106 VanDerWaalsContact CG-CD2 3.44Å; R102-H106 WeakPolarHBondContact CG-CD2 3.28Å; R102-H106 PolarHBondContact NE-NE2 2.73Å; R102-H106 VanDerWaalsContact NE-NE2 3.17Å; R102-H106 PolarHBondContact O-CD2 3.41Å; R102-H106 PolarHBondContact O-N 3.24Å; Y103-H106 PolarHBondContact O-N 3.48Å; Y103-H106 VanDerWaalsContact O-N 3.16Å; L104-H106 PolarHBondContact O-N 2.81Å
107	I	88.2	Confident	92.4	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.056	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.3	165.7	-59	-165	0	0	0	108.5	I33 Y103 L104 G109 G110 I111	I33-I107 HydrophobicContact CB-CG2 3.67Å; I33-I107 HydrophobicContact CD1-CD1 4.21Å; I33-I107 HydrophobicContact CD1-CG2 4.25Å; I33-I107 HydrophobicContact CG1-CD1 4.41Å; I33-I107 HydrophobicContact CG1-CG2 4.21Å; Y103-I107 HydrophobicContact CE1-CD1 4.06Å; Y103-I107 PolarHBondContact O-N 2.95Å; L104-I107 PolarHBondContact O-N 2.96Å; I107-G109 PolarHBondContact O-N 3.06Å; I107-G110 WeakPolarHBondContact CG2-O 3.25Å; I107-G110 PolarHBondContact O-N 2.75Å; I107-I111 HydrophobicContact CB-CG2 4.4Å; I107-I111 HydrophobicContact CD1-CG2 3.99Å; I107-I111 HydrophobicContact CG1-CG2 4.41Å
108	E	83.5	Confident	92.2	Very high	107 Å²	107	38.9 Å²	38.9	50%	0.5	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	124.7	178.6	-168.4	-160.5	142.9	0	0	109.9	V31 K32	V31-E108 PolarHBondContact O-N 3.07Å; K32-E108 WeakPolarHBondContact CE-OE1 3.4Å; K32-E108 WeakPolarHBondContact CE-OE2 3.27Å; K32-E108 HydrophobicContact CG-CB 4Å; K32-E108 HydrophobicContact CG-CG 4.28Å; K32-E108 WeakPolarHBondContact CG-OE2 3.47Å; K32-E108 IonicContact NZ-OE1 3.63Å
109	G	84.3	Confident	92.1	Very high	43 Å²	43	41.1 Å²	41.1	44%	0.443	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	1.8	-172.7	0	0	0	0	0	114.9	I107 G113	I107-G109 PolarHBondContact O-N 3.06Å; G109-G113 VanDerWaalsContact O-CA 3.3Å; G109-G113 WeakPolarHBondContact O-CA 3.46Å
110	G	90.4	Very high	92.2	Very high	5 Å²	5	41.2 Å²	41.2	5%	0.052	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	179.1	-173.7	0	0	0	0	0	112.9	I107	I107-G110 WeakPolarHBondContact CG2-O 3.25Å; I107-G110 PolarHBondContact O-N 2.75Å
111	I	93	Very high	92.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-12.9	-171.6	82	178.1	0	0	0	114	I33 L104 I107 V147 L151 L154 V183	I33-I111 HydrophobicContact CD1-CB 4.34Å; I33-I111 VanDerWaalsContact CD1-O 3.31Å; I33-I111 WeakPolarHBondContact CD1-O 3.36Å; L104-I111 HydrophobicContact CB-CG2 3.75Å; L104-I111 HydrophobicContact CD1-CD1 4.32Å; L104-I111 HydrophobicContact CD2-CD1 4.13Å; L104-I111 HydrophobicContact CD2-CG2 3.95Å; L104-I111 HydrophobicContact CG-CG2 4.37Å; I107-I111 HydrophobicContact CB-CG2 4.4Å; I107-I111 HydrophobicContact CD1-CG2 3.99Å; I107-I111 HydrophobicContact CG1-CG2 4.41Å; I111-V147 WeakPolarHBondContact O-CG1 2.92Å; I111-L151 HydrophobicContact CD1-CD2 3.84Å; I111-L151 HydrophobicContact CG1-CD2 4.31Å; I111-L154 HydrophobicContact CD1-CD1 4.07Å; I111-V183 HydrophobicContact CD1-CB 4.47Å; I111-V183 HydrophobicContact CD1-CG1 4.08Å; I111-V183 HydrophobicContact CD1-CG2 4.3Å; I111-V183 HydrophobicContact CG1-CG1 4.33Å
112	L	92.7	Very high	92.2	Very high	13 Å²	13	42.8 Å²	42.8	7%	0.068	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-18.1	178.6	-61.9	171.4	0	0	0	112.5	S116 L120 Q143 L151 V183 F184	L112-S116 WeakPolarHBondContact O-CB 3.45Å; L112-L120 HydrophobicContact CD1-CD1 3.69Å; L112-Q143 HydrophobicContact CD2-CG 4.15Å; L112-Q143 PolarHBondContact O-OE1 2.66Å; L112-L151 HydrophobicContact CD2-CD1 3.77Å; L112-L151 HydrophobicContact CD2-CD2 3.94Å; L112-L151 HydrophobicContact CD2-CG 4.47Å; L112-V183 HydrophobicContact CD1-CG1 4.18Å; L112-F184 HydrophobicContact CD1-CE1 4.15Å; L112-F184 HydrophobicContact CD1-CZ 4.15Å
113	G	91.4	Very high	92.3	Very high	23 Å²	23	38.7 Å²	38.7	24%	0.237	22%	0.219	C	C	.	.			trans	80.4	148.6	-162.5	0	0	0	0	0	112.5	G109 E115 S116 E117	G109-G113 VanDerWaalsContact O-CA 3.3Å; G109-G113 WeakPolarHBondContact O-CA 3.46Å; G113-E115 PolarHBondContact O-N 2.82Å; G113-S116 PolarHBondContact O-N 2.94Å; G113-E117 PolarHBondContact O-N 2.8Å
114	P	92.3	Very high	92.4	Very high	80 Å²	80	40.1 Å²	40.1	52%	0.519	23%	0.227	S	C	.	.	H	α-helix	trans	-65.6	-25	-175.2	26.5	-35.6	0	0	0	113.5	E118	P114-E118 PolarHBondContact O-N 2.8Å; P114-E118 VanDerWaalsContact O-N 3.15Å
115	E	93.6	Very high	92.6	Very high	140 Å²	140	45 Å²	45	65%	0.654	25%	0.253	S	S	*	.	H	α-helix	trans	-69.6	-50	176.1	-171.8	-178.7	164.9	0	0	111.3	G113 E117 E118 Q119	G113-E115 PolarHBondContact O-N 2.82Å; E115-E117 VanDerWaalsContact C-N 3.34Å; E115-E117 PolarHBondContact O-N 2.61Å; E115-E118 PolarHBondContact O-N 2.81Å; E115-E118 VanDerWaalsContact O-N 3.14Å; E115-Q119 WeakPolarHBondContact O-CG 3.21Å; E115-Q119 PolarHBondContact O-N 3.48Å; E115-Q119 PolarHBondContact OE1-NE2 3.47Å
116	S	94.9	Very high	92.9	Very high	16 Å²	16	43.4 Å²	43.4	11%	0.112	24%	0.244	C	C	.	.	H	α-helix	trans	-70.5	-27.6	176.5	-60.3	0	0	0	0	113	L112 G113 L120 Q143	L112-S116 WeakPolarHBondContact O-CB 3.45Å; G113-S116 PolarHBondContact O-N 2.94Å; S116-L120 WeakPolarHBondContact O-CB 3.14Å; S116-L120 WeakPolarHBondContact O-CG 3.41Å; S116-L120 PolarHBondContact O-N 2.94Å; S116-Q143 PolarHBondContact OG-NE2 2.99Å
117	E	95.5	Very high	93.1	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-56.5	-51.1	164.6	-77	-169.3	-123.9	0	0	110.8	G113 E115 L120 L121 F184 P185 S186 C187	G113-E117 PolarHBondContact O-N 2.8Å; E115-E117 VanDerWaalsContact C-N 3.34Å; E115-E117 PolarHBondContact O-N 2.61Å; E117-L120 PolarHBondContact O-N 3.39Å; E117-L121 WeakPolarHBondContact O-CD1 3.35Å; E117-L121 PolarHBondContact O-N 2.77Å; E117-F184 HydrophobicContact CB-CD1 3.89Å; E117-F184 HydrophobicContact CB-CE1 4.37Å; E117-F184 HydrophobicContact CG-CB 4.46Å; E117-F184 HydrophobicContact CG-CD1 3.66Å; E117-F184 HydrophobicContact CG-CE1 4.33Å; E117-F184 HydrophobicContact CG-CG 4.39Å; E117-F184 WeakPolarHBondContact OE2-CA 3.44Å; E117-F184 WeakPolarHBondContact OE2-CB 3.35Å; E117-P185 WeakPolarHBondContact OE1-CD 3.24Å; E117-S186 VanDerWaalsContact CD-CB 3.45Å; E117-S186 WeakPolarHBondContact OE1-CB 3.45Å; E117-S186 PolarHBondContact OE1-N 2.87Å; E117-S186 VanDerWaalsContact OE1-N 3.15Å; E117-S186 PolarHBondContact OE1-OG 3.46Å; E117-S186 WeakPolarHBondContact OE2-CA 3.28Å; E117-S186 VanDerWaalsContact OE2-CB 3.29Å; E117-S186 WeakPolarHBondContact OE2-CB 3.4Å; E117-S186 PolarHBondContact OE2-N 3.42Å; E117-S186 VanDerWaalsContact OE2-N 3.08Å; E117-C187 PolarHBondContact OE2-N 3.23Å; E117-C187 VanDerWaalsContact OE2-N 3.13Å; E117-C187 PolarHBondContact OE2-SG 3.12Å
118	E	94.5	Very high	93.3	Very high	88 Å²	88	50.9 Å²	50.9	41%	0.411	29%	0.293	S	S	.	.	H	α-helix	trans	-70	-37.3	-177.4	-160.3	73.4	167.8	0	0	112.7	P114 E115 L121 S122 K193	P114-E118 PolarHBondContact O-N 2.8Å; P114-E118 VanDerWaalsContact O-N 3.15Å; E115-E118 PolarHBondContact O-N 2.81Å; E115-E118 VanDerWaalsContact O-N 3.14Å; E118-L121 CarbonylContact O-C 3.57Å; E118-L121 WeakPolarHBondContact O-CB 3.3Å; E118-L121 PolarHBondContact O-N 2.69Å; E118-S122 PolarHBondContact O-N 3.43Å; E118-K193 WeakPolarHBondContact OE1-CE 3.26Å; E118-K193 IonicContact OE1-NZ 2.81Å; E118-K193 PolarHBondContact OE1-NZ 3.28Å; E118-K193 IonicContact OE2-NZ 3.17Å; E118-K193 PolarHBondContact OE2-NZ 3.09Å
119	Q	95.6	Very high	93.6	Very high	69 Å²	69	50.1 Å²	50.1	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-47.6	173.1	-71	168.6	-2.5	0	0	111.2	E115 L121 S122 T123 V139	E115-Q119 WeakPolarHBondContact O-CG 3.21Å; E115-Q119 PolarHBondContact O-N 3.48Å; E115-Q119 PolarHBondContact OE1-NE2 3.47Å; Q119-L121 VanDerWaalsContact C-N 3.3Å; Q119-L121 PolarHBondContact O-N 3.49Å; Q119-S122 PolarHBondContact O-N 2.82Å; Q119-S122 PolarHBondContact O-OG 3.43Å; Q119-T123 WeakPolarHBondContact O-CG2 3.49Å; Q119-T123 PolarHBondContact O-N 3.37Å; Q119-T123 VanDerWaalsContact O-N 3.15Å; Q119-V139 HydrophobicContact CB-CG2 3.85Å
120	L	96.8	Very high	93.8	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-39.5	173.7	-79	174.5	0	0	0	111.7	L112 S116 E117 S122 T123 M136 V139 F184 V200 L204	L112-L120 HydrophobicContact CD1-CD1 3.69Å; S116-L120 WeakPolarHBondContact O-CB 3.14Å; S116-L120 WeakPolarHBondContact O-CG 3.41Å; S116-L120 PolarHBondContact O-N 2.94Å; E117-L120 PolarHBondContact O-N 3.39Å; L120-S122 VanDerWaalsContact C-N 3.31Å; L120-S122 PolarHBondContact O-N 2.81Å; L120-T123 PolarHBondContact O-N 2.95Å; L120-T123 PolarHBondContact O-OG1 2.89Å; L120-M136 HydrophobicContact CD2-CB 4.08Å; L120-M136 HydrophobicContact CD2-CG 3.93Å; L120-V139 HydrophobicContact CD1-CG1 4.28Å; L120-V139 HydrophobicContact CD2-CB 3.98Å; L120-V139 HydrophobicContact CD2-CG1 4.22Å; L120-V139 HydrophobicContact CD2-CG2 4.49Å; L120-V139 HydrophobicContact CG-CB 4.09Å; L120-V139 HydrophobicContact CG-CG1 3.77Å; L120-F184 HydrophobicContact CB-CE1 4.11Å; L120-F184 HydrophobicContact CB-CZ 4.37Å; L120-F184 HydrophobicContact CD1-CE1 4.05Å; L120-F184 HydrophobicContact CD1-CZ 3.84Å; L120-V200 HydrophobicContact CB-CG1 4.06Å; L120-V200 HydrophobicContact CD1-CG1 4.44Å; L120-V200 WeakPolarHBondContact O-CG2 3.29Å; L120-L204 HydrophobicContact CD1-CD1 4.23Å
121	L	96	Very high	94	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-34.1	175.6	-101.6	70.3	0	0	0	112.8	E117 E118 Q119 F184 C187 K193 R196 A197 V200	E117-L121 WeakPolarHBondContact O-CD1 3.35Å; E117-L121 PolarHBondContact O-N 2.77Å; E118-L121 CarbonylContact O-C 3.57Å; E118-L121 WeakPolarHBondContact O-CB 3.3Å; E118-L121 PolarHBondContact O-N 2.69Å; Q119-L121 VanDerWaalsContact C-N 3.3Å; Q119-L121 PolarHBondContact O-N 3.49Å; L121-F184 HydrophobicContact CD1-CD1 3.81Å; L121-F184 HydrophobicContact CD1-CE1 3.82Å; L121-C187 HydrophobicContact CD2-CB 4.45Å; L121-C187 VanDerWaalsContact CD2-SG 3.57Å; L121-K193 HydrophobicContact CD2-CB 4.19Å; L121-K193 HydrophobicContact CD2-CD 4.24Å; L121-K193 HydrophobicContact CD2-CG 4.02Å; L121-R196 HydrophobicContact CD2-CB 4.15Å; L121-R196 HydrophobicContact CG-CB 4.04Å; L121-R196 PolarHBondContact O-NE 2.82Å; L121-R196 PolarHBondContact O-NH2 2.84Å; L121-A197 HydrophobicContact CD1-CB 4.15Å; L121-V200 HydrophobicContact CD1-CG2 4.32Å
122	S	95.9	Very high	94.1	Very high	63 Å²	63	52.7 Å²	52.7	44%	0.441	30%	0.297	S	S	.	.	H	α-helix	trans	-78	-24.7	178.8	69.5	0	0	0	0	113.5	E118 Q119 L120 L124 D125	E118-S122 PolarHBondContact O-N 3.43Å; Q119-S122 PolarHBondContact O-N 2.82Å; Q119-S122 PolarHBondContact O-OG 3.43Å; L120-S122 VanDerWaalsContact C-N 3.31Å; L120-S122 PolarHBondContact O-N 2.81Å; S122-L124 PolarHBondContact O-N 3.3Å; S122-D125 PolarHBondContact O-N 3.33Å
123	T	96.5	Very high	94.2	Very high	6 Å²	6	54 Å²	54	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-55.5	-26.4	172.9	67.6	0	0	0	0	113.2	Q119 L120 D125 I126 R132 A135 M136	Q119-T123 WeakPolarHBondContact O-CG2 3.49Å; Q119-T123 PolarHBondContact O-N 3.37Å; Q119-T123 VanDerWaalsContact O-N 3.15Å; L120-T123 PolarHBondContact O-N 2.95Å; L120-T123 PolarHBondContact O-OG1 2.89Å; T123-D125 PolarHBondContact O-N 3.16Å; T123-I126 WeakPolarHBondContact O-CB 3.42Å; T123-I126 WeakPolarHBondContact O-CG1 2.99Å; T123-I126 PolarHBondContact O-N 2.86Å; T123-I126 VanDerWaalsContact O-N 3.08Å; T123-R132 WeakPolarHBondContact O-CD 3.24Å; T123-R132 VanDerWaalsContact O-CG 3.26Å; T123-R132 WeakPolarHBondContact O-CG 3.32Å; T123-A135 HydrophobicContact CG2-CB 3.68Å; T123-M136 HydrophobicContact CG2-CG 4.01Å; T123-M136 WeakPolarHBondContact OG1-CE 3.23Å; T123-M136 WeakPolarHBondContact OG1-CG 3.42Å
124	L	95.9	Very high	94.3	Very high	35 Å²	35	57.6 Å²	57.6	18%	0.183	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.5	175.7	-64.9	-177	0	0	0	114.6	S122 M136 R196 K199 V200 Y203	S122-L124 PolarHBondContact O-N 3.3Å; L124-M136 HydrophobicContact CD2-CE 4.13Å; L124-R196 HydrophobicContact CD1-CB 3.81Å; L124-R196 HydrophobicContact CD1-CG 4Å; L124-R196 WeakPolarHBondContact CD1-O 3.07Å; L124-K199 HydrophobicContact CD1-CB 4.04Å; L124-K199 HydrophobicContact CD1-CG 4.39Å; L124-K199 HydrophobicContact CD2-CB 4.46Å; L124-K199 HydrophobicContact CD2-CG 4.11Å; L124-V200 HydrophobicContact CD1-CG2 3.84Å; L124-V200 HydrophobicContact CD2-CG2 4.06Å; L124-V200 HydrophobicContact CG-CG2 3.81Å; L124-Y203 HydrophobicContact CD2-CD2 3.77Å; L124-Y203 HydrophobicContact CD2-CE2 3.75Å
125	D	96	Very high	94.5	Very high	106 Å²	106	55.1 Å²	55.1	57%	0.567	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-3	176.1	-55.5	-43.9	0	0	0	112.3	S122 T123 P127 R196	S122-D125 PolarHBondContact O-N 3.33Å; T123-D125 PolarHBondContact O-N 3.16Å; D125-P127 WeakPolarHBondContact O-CD 3.34Å; D125-R196 IonicContact OD1-CZ 2.68Å; D125-R196 IonicContact OD1-NH1 2.75Å; D125-R196 PolarHBondContact OD1-NH1 3Å; D125-R196 IonicContact OD1-NH2 3.46Å; D125-R196 PolarHBondContact OD1-NH2 2.96Å; D125-R196 VanDerWaalsContact OD1-NH2 3.14Å; D125-R196 IonicContact OD2-CZ 2.77Å; D125-R196 IonicContact OD2-NH1 3.56Å; D125-R196 IonicContact OD2-NH2 3.33Å; D125-R196 PolarHBondContact OD2-NH2 3.49Å
126	I	96	Very high	94.7	Very high	52 Å²	52	48.6 Å²	48.6	27%	0.267	27%	0.27	S	S	.	.			trans	-77	119.7	173.8	-57.9	172.7	0	0	0	108.6	T123 A131 R132 A135	T123-I126 WeakPolarHBondContact O-CB 3.42Å; T123-I126 WeakPolarHBondContact O-CG1 2.99Å; T123-I126 PolarHBondContact O-N 2.86Å; T123-I126 VanDerWaalsContact O-N 3.08Å; I126-A131 HydrophobicContact CG2-CB 4.01Å; I126-R132 HydrophobicContact CB-CB 4.11Å; I126-R132 HydrophobicContact CG2-CB 4.2Å; I126-R132 PolarHBondContact O-NH1 3.2Å; I126-A135 HydrophobicContact CD1-CB 3.65Å
127	P	92.5	Very high	94.8	Very high	127 Å²	127	50 Å²	50	83%	0.825	28%	0.275	S	S	*	.	S	Bend	trans	-78.3	-25.2	-173.6	31.5	-35.9	0	0	0	113.4	D125	D125-P127 WeakPolarHBondContact O-CD 3.34Å
128	D	92.1	Very high	94.9	Very high	86 Å²	86	53.5 Å²	53.5	46%	0.46	30%	0.299	S	S	.	.	S	Bend	trans	-83.8	133.9	173.5	176.9	58.5	0	0	0	111.3	Q130 A131 R132	D128-Q130 WeakPolarHBondContact OD2-CB 3.43Å; D128-Q130 PolarHBondContact OD2-N 2.67Å; D128-Q130 VanDerWaalsContact OD2-N 3.11Å; D128-A131 HydrophobicContact CB-CB 4.2Å; D128-A131 WeakPolarHBondContact OD2-CB 3.4Å; D128-A131 PolarHBondContact OD2-N 2.91Å; D128-R132 VanDerWaalsContact O-CB 3.23Å; D128-R132 WeakPolarHBondContact O-CB 3.38Å; D128-R132 PolarHBondContact O-N 3.08Å; D128-R132 VanDerWaalsContact O-N 3.11Å
129	D	89.7	Confident	95	Very high	92 Å²	92	49.9 Å²	49.9	49%	0.492	28%	0.282	S	S	.	.	H	α-helix	trans	-73	-32.6	-175.3	-89.1	26.4	0	0	0	112.6	R132 I133	D129-R132 IonicContact OD1-CZ 3.77Å; D129-R132 IonicContact OD1-NH1 3.21Å; D129-R132 PolarHBondContact OD1-NH1 3.47Å; D129-R132 IonicContact OD1-NH2 2.69Å; D129-R132 PolarHBondContact OD1-NH2 2.84Å; D129-R132 IonicContact OD2-NH2 3.29Å; D129-R132 PolarHBondContact OD2-NH2 3.35Å; D129-I133 WeakPolarHBondContact O-CD1 3.43Å; D129-I133 VanDerWaalsContact O-CG1 3.29Å; D129-I133 WeakPolarHBondContact O-CG1 3.38Å; D129-I133 PolarHBondContact O-N 3.48Å; D129-I133 VanDerWaalsContact O-N 3.12Å
130	Q	88.8	Confident	95.1	Very high	52 Å²	52	46.8 Å²	46.8	24%	0.243	27%	0.268	C	S	.	.	H	α-helix	trans	-77.1	-48.9	-178.8	-178.7	61.8	36.6	0	0	110.9	D128 R132 I133 E134	D128-Q130 WeakPolarHBondContact OD2-CB 3.43Å; D128-Q130 PolarHBondContact OD2-N 2.67Å; D128-Q130 VanDerWaalsContact OD2-N 3.11Å; Q130-R132 PolarHBondContact O-N 3.47Å; Q130-I133 WeakPolarHBondContact O-CB 3.26Å; Q130-I133 PolarHBondContact O-N 3.29Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.41Å; Q130-E134 PolarHBondContact NE2-OE1 3.37Å; Q130-E134 WeakPolarHBondContact O-CG 3.49Å; Q130-E134 PolarHBondContact O-N 3.47Å
131	A	93.7	Very high	95	Very high	37 Å²	37	49.5 Å²	49.5	31%	0.306	29%	0.285	S	S	.	.	H	α-helix	trans	-60.1	-32.2	173.4	0	0	0	0	0	112.3	I126 D128 A135	I126-A131 HydrophobicContact CG2-CB 4.01Å; D128-A131 HydrophobicContact CB-CB 4.2Å; D128-A131 WeakPolarHBondContact OD2-CB 3.4Å; D128-A131 PolarHBondContact OD2-N 2.91Å; A131-A135 VanDerWaalsContact O-CB 3.29Å; A131-A135 WeakPolarHBondContact O-CB 3.33Å; A131-A135 PolarHBondContact O-N 3.35Å
132	R	95.6	Very high	94.9	Very high	14 Å²	14	53 Å²	53	5%	0.053	31%	0.31	C	S	.	.	H	α-helix	trans	-67.2	-42.2	171.9	-175.6	168.5	71.9	-107.5	-5.8	112.5	T123 I126 D128 D129 Q130 M136 Y203	T123-R132 WeakPolarHBondContact O-CD 3.24Å; T123-R132 VanDerWaalsContact O-CG 3.26Å; T123-R132 WeakPolarHBondContact O-CG 3.32Å; I126-R132 HydrophobicContact CB-CB 4.11Å; I126-R132 HydrophobicContact CG2-CB 4.2Å; I126-R132 PolarHBondContact O-NH1 3.2Å; D128-R132 VanDerWaalsContact O-CB 3.23Å; D128-R132 WeakPolarHBondContact O-CB 3.38Å; D128-R132 PolarHBondContact O-N 3.08Å; D128-R132 VanDerWaalsContact O-N 3.11Å; D129-R132 IonicContact OD1-CZ 3.77Å; D129-R132 IonicContact OD1-NH1 3.21Å; D129-R132 PolarHBondContact OD1-NH1 3.47Å; D129-R132 IonicContact OD1-NH2 2.69Å; D129-R132 PolarHBondContact OD1-NH2 2.84Å; D129-R132 IonicContact OD2-NH2 3.29Å; D129-R132 PolarHBondContact OD2-NH2 3.35Å; Q130-R132 PolarHBondContact O-N 3.47Å; R132-M136 HydrophobicContact CG-CE 4.04Å; R132-M136 WeakPolarHBondContact O-CG 3.13Å; R132-M136 PolarHBondContact O-N 3.46Å; R132-Y203 PolarHBondContact NH2-OH 3.44Å
133	I	94	Very high	94.9	Very high	41 Å²	41	50.8 Å²	50.8	21%	0.21	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-45.5	174.9	-75.6	165.1	0	0	0	110.5	D129 Q130 M136 H137 D212 L213	D129-I133 WeakPolarHBondContact O-CD1 3.43Å; D129-I133 VanDerWaalsContact O-CG1 3.29Å; D129-I133 WeakPolarHBondContact O-CG1 3.38Å; D129-I133 PolarHBondContact O-N 3.48Å; D129-I133 VanDerWaalsContact O-N 3.12Å; Q130-I133 WeakPolarHBondContact O-CB 3.26Å; Q130-I133 PolarHBondContact O-N 3.29Å; I133-M136 PolarHBondContact O-N 2.92Å; I133-H137 WeakPolarHBondContact O-CB 3.45Å; I133-H137 PolarHBondContact O-N 2.78Å; I133-D212 HydrophobicContact CG2-CB 3.79Å; I133-D212 WeakPolarHBondContact CG2-O 3.49Å; I133-L213 HydrophobicContact CG2-CB 4.16Å; I133-L213 HydrophobicContact CG2-CD1 4.22Å
134	E	94.4	Very high	94.7	Very high	98 Å²	98	53.3 Å²	53.3	46%	0.458	31%	0.309	S	S	.	.	H	α-helix	trans	-63.8	-43.5	178.4	-71.8	166.9	-167.9	0	0	111.8	Q130 M136 H137 C138	Q130-E134 WeakPolarHBondContact CG-OE1 3.41Å; Q130-E134 PolarHBondContact NE2-OE1 3.37Å; Q130-E134 WeakPolarHBondContact O-CG 3.49Å; Q130-E134 PolarHBondContact O-N 3.47Å; E134-M136 VanDerWaalsContact C-N 3.35Å; E134-M136 PolarHBondContact O-N 3.04Å; E134-H137 WeakPolarHBondContact O-CB 3.37Å; E134-H137 PolarHBondContact O-N 3.36Å; E134-C138 PolarHBondContact O-N 3.46Å; E134-C138 PolarHBondContact O-SG 3.27Å
135	A	96.8	Very high	94.5	Very high	29 Å²	29	55.2 Å²	55.2	24%	0.24	31%	0.314	C	S	.	.	H	α-helix	trans	-62.1	-40.1	174.2	0	0	0	0	0	112.5	T123 I126 A131 V139	T123-A135 HydrophobicContact CG2-CB 3.68Å; I126-A135 HydrophobicContact CD1-CB 3.65Å; A131-A135 VanDerWaalsContact O-CB 3.29Å; A131-A135 WeakPolarHBondContact O-CB 3.33Å; A131-A135 PolarHBondContact O-N 3.35Å; A135-V139 WeakPolarHBondContact O-CG2 3.46Å; A135-V139 PolarHBondContact O-N 2.88Å
136	M	97.7	Very high	94.3	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-40	173.9	-72.8	-176.4	-178.1	0	0	112.1	L120 T123 L124 R132 I133 E134 V139 I140 Y203 L204 L213	L120-M136 HydrophobicContact CD2-CB 4.08Å; L120-M136 HydrophobicContact CD2-CG 3.93Å; T123-M136 HydrophobicContact CG2-CG 4.01Å; T123-M136 WeakPolarHBondContact OG1-CE 3.23Å; T123-M136 WeakPolarHBondContact OG1-CG 3.42Å; L124-M136 HydrophobicContact CD2-CE 4.13Å; R132-M136 HydrophobicContact CG-CE 4.04Å; R132-M136 WeakPolarHBondContact O-CG 3.13Å; R132-M136 PolarHBondContact O-N 3.46Å; I133-M136 PolarHBondContact O-N 2.92Å; E134-M136 VanDerWaalsContact C-N 3.35Å; E134-M136 PolarHBondContact O-N 3.04Å; M136-V139 PolarHBondContact O-N 3.28Å; M136-I140 WeakPolarHBondContact O-CG1 3.46Å; M136-I140 PolarHBondContact O-N 3.43Å; M136-I140 VanDerWaalsContact O-N 3.14Å; M136-Y203 HydrophobicContact CE-CD2 4.07Å; M136-Y203 HydrophobicContact CE-CG 4.22Å; M136-L204 HydrophobicContact CB-CD2 4.15Å; M136-L204 HydrophobicContact CG-CD2 4.39Å; M136-L204 HydrophobicContact SD-CD2 3.81Å; M136-L204 HydrophobicContact SD-CG 4.44Å; M136-L213 HydrophobicContact CB-CD1 3.51Å; M136-L213 HydrophobicContact SD-CD1 4.45Å
137	H	97.2	Very high	94.2	Very high	45 Å²	45	48.4 Å²	48.4	21%	0.208	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-48.5	174.6	176.1	-74.3	0	0	0	111.3	I133 E134 V139 I140 V141 D212 L213 S215	I133-H137 WeakPolarHBondContact O-CB 3.45Å; I133-H137 PolarHBondContact O-N 2.78Å; E134-H137 WeakPolarHBondContact O-CB 3.37Å; E134-H137 PolarHBondContact O-N 3.36Å; H137-V139 VanDerWaalsContact C-N 3.25Å; H137-V139 PolarHBondContact O-N 2.99Å; H137-I140 WeakPolarHBondContact O-CA 3.45Å; H137-I140 WeakPolarHBondContact O-CB 3.27Å; H137-I140 PolarHBondContact O-N 3.46Å; H137-V141 VanDerWaalsContact CE1-CG1 3.48Å; H137-V141 WeakPolarHBondContact CE1-CG1 3.43Å; H137-V141 PolarHBondContact O-N 3.28Å; H137-D212 WeakPolarHBondContact CB-O 3.25Å; H137-D212 PolarHBondContact CD2-O 2.95Å; H137-D212 VanDerWaalsContact CD2-O 3.3Å; H137-L213 PolarHBondContact CD2-O 2.96Å; H137-S215 PolarHBondContact NE2-OG 3.17Å
138	C	96.9	Very high	94.4	Very high	76 Å²	76	43.5 Å²	43.5	51%	0.514	24%	0.244	S	C	.	.	H	α-helix	trans	-54.6	-38.8	176.6	-69.3	0	0	0	0	112.8	E134 S142	E134-C138 PolarHBondContact O-N 3.46Å; E134-C138 PolarHBondContact O-SG 3.27Å; C138-S142 VanDerWaalsContact O-CB 3.31Å; C138-S142 WeakPolarHBondContact O-CB 3.2Å; C138-S142 PolarHBondContact O-N 3.47Å; C138-S142 VanDerWaalsContact O-N 3.13Å; C138-S142 PolarHBondContact O-OG 3.49Å
139	V	97.2	Very high	94.5	Very high	11 Å²	11	40.3 Å²	40.3	7%	0.067	23%	0.227	C	C	.	.	H	α-helix	trans	-74.3	-26.6	177.2	-174.8	0	0	0	0	112.4	Q119 L120 A135 M136 H137 S142 Q143	Q119-V139 HydrophobicContact CB-CG2 3.85Å; L120-V139 HydrophobicContact CD1-CG1 4.28Å; L120-V139 HydrophobicContact CD2-CB 3.98Å; L120-V139 HydrophobicContact CD2-CG1 4.22Å; L120-V139 HydrophobicContact CD2-CG2 4.49Å; L120-V139 HydrophobicContact CG-CB 4.09Å; L120-V139 HydrophobicContact CG-CG1 3.77Å; A135-V139 WeakPolarHBondContact O-CG2 3.46Å; A135-V139 PolarHBondContact O-N 2.88Å; M136-V139 PolarHBondContact O-N 3.28Å; H137-V139 VanDerWaalsContact C-N 3.25Å; H137-V139 PolarHBondContact O-N 2.99Å; V139-S142 PolarHBondContact O-OG 3.18Å; V139-Q143 WeakPolarHBondContact O-CG 3.44Å; V139-Q143 PolarHBondContact O-NE2 3.02Å
140	I	96.6	Very high	94.8	Very high	5 Å²	5	36 Å²	36	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-74.7	-48.3	173.5	-67.5	163.6	0	0	0	111	M136 H137 S142 Q143 L204 L213 F214 L218	M136-I140 WeakPolarHBondContact O-CG1 3.46Å; M136-I140 PolarHBondContact O-N 3.43Å; M136-I140 VanDerWaalsContact O-N 3.14Å; H137-I140 WeakPolarHBondContact O-CA 3.45Å; H137-I140 WeakPolarHBondContact O-CB 3.27Å; H137-I140 PolarHBondContact O-N 3.46Å; I140-S142 VanDerWaalsContact C-N 3.34Å; I140-S142 PolarHBondContact O-N 3.32Å; I140-Q143 WeakPolarHBondContact O-CB 3.29Å; I140-Q143 WeakPolarHBondContact O-CG 3.38Å; I140-Q143 PolarHBondContact O-N 3.45Å; I140-L204 HydrophobicContact CD1-CD2 3.95Å; I140-L213 HydrophobicContact CD1-CD1 4.46Å; I140-L213 HydrophobicContact CD1-CG 4.47Å; I140-F214 HydrophobicContact CD1-CD1 4.47Å; I140-F214 HydrophobicContact CD1-CD2 4.2Å; I140-F214 HydrophobicContact CD1-CE1 4.16Å; I140-F214 HydrophobicContact CD1-CE2 3.88Å; I140-F214 HydrophobicContact CD1-CG 4.49Å; I140-F214 HydrophobicContact CD1-CZ 3.85Å; I140-F214 HydrophobicContact CG2-CD1 4.49Å; I140-L218 HydrophobicContact CG2-CD1 4.08Å
141	V	95.3	Very high	95.1	Very high	58 Å²	58	33.7 Å²	33.7	35%	0.352	19%	0.193	S	C	.	.	H	α-helix	trans	-75.9	-20.3	-175.6	-58.7	0	0	0	0	113.7	H137 Q143 Q148	H137-V141 VanDerWaalsContact CE1-CG1 3.48Å; H137-V141 WeakPolarHBondContact CE1-CG1 3.43Å; H137-V141 PolarHBondContact O-N 3.28Å; V141-Q143 VanDerWaalsContact C-N 3.26Å; V141-Q143 PolarHBondContact O-N 3.46Å; V141-Q148 PolarHBondContact O-NE2 3.15Å
142	S	95.1	Very high	95.3	Very high	79 Å²	79	31.9 Å²	31.9	55%	0.552	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-16.8	170.4	62.5	0	0	0	0	113.7	C138 V139 I140	C138-S142 VanDerWaalsContact O-CB 3.31Å; C138-S142 WeakPolarHBondContact O-CB 3.2Å; C138-S142 PolarHBondContact O-N 3.47Å; C138-S142 VanDerWaalsContact O-N 3.13Å; C138-S142 PolarHBondContact O-OG 3.49Å; V139-S142 PolarHBondContact O-OG 3.18Å; I140-S142 VanDerWaalsContact C-N 3.34Å; I140-S142 PolarHBondContact O-N 3.32Å
143	Q	94.4	Very high	95.4	Very high	15 Å²	15	31.2 Å²	31.2	7%	0.07	18%	0.176	C	C	.	.	S	Bend	trans	-67.5	147.7	175.9	-57.7	-55.6	-50.2	0	0	111.8	L112 S116 V139 I140 V141 V147 Q148 L151	L112-Q143 HydrophobicContact CD2-CG 4.15Å; L112-Q143 PolarHBondContact O-OE1 2.66Å; S116-Q143 PolarHBondContact OG-NE2 2.99Å; V139-Q143 WeakPolarHBondContact O-CG 3.44Å; V139-Q143 PolarHBondContact O-NE2 3.02Å; I140-Q143 WeakPolarHBondContact O-CB 3.29Å; I140-Q143 WeakPolarHBondContact O-CG 3.38Å; I140-Q143 PolarHBondContact O-N 3.45Å; V141-Q143 VanDerWaalsContact C-N 3.26Å; V141-Q143 PolarHBondContact O-N 3.46Å; Q143-V147 HydrophobicContact CB-CB 3.92Å; Q143-V147 HydrophobicContact CB-CG1 3.92Å; Q143-V147 HydrophobicContact CG-CG1 4.2Å; Q143-Q148 HydrophobicContact CB-CG 4.25Å; Q143-Q148 WeakPolarHBondContact O-CG 3.25Å; Q143-Q148 PolarHBondContact O-NE2 2.69Å; Q143-L151 HydrophobicContact CG-CD1 4.29Å
144	P	92.7	Very high	95.6	Very high	59 Å²	59	29.4 Å²	29.4	38%	0.383	17%	0.166	S	C	.	.			trans	-56	144	172.8	-23.3	31.4	0	0	0	112.4	P146 V147 Q148	P144-P146 VanDerWaalsContact O-N 3.15Å; P144-V147 HydrophobicContact CB-CG2 4.06Å; P144-V147 HydrophobicContact CG-CG2 4.18Å; P144-V147 WeakPolarHBondContact O-CA 3.35Å; P144-V147 WeakPolarHBondContact O-CB 3.29Å; P144-V147 PolarHBondContact O-N 3.04Å; P144-Q148 PolarHBondContact O-N 3.5Å; P144-Q148 VanDerWaalsContact O-N 3.15Å
145	R	92.5	Very high	95.7	Very high	76 Å²	76	24.9 Å²	24.9	29%	0.287	15%	0.145	S	C	.	.	H	α-helix	trans	-47.3	-45.1	-173.7	-171.8	55.9	174.2	-169.6	-2.5	116.9	V147 Q148 Q149 E217	R145-V147 PolarHBondContact O-N 3Å; R145-Q148 VanDerWaalsContact CD-OE1 3.23Å; R145-Q148 WeakPolarHBondContact O-CB 3.29Å; R145-Q148 PolarHBondContact O-N 2.91Å; R145-Q149 WeakPolarHBondContact O-CG 3.47Å; R145-Q149 PolarHBondContact O-N 3.07Å; R145-E217 IonicContact CZ-OE1 3.22Å; R145-E217 IonicContact CZ-OE2 2.8Å; R145-E217 IonicContact NH1-OE1 2.79Å; R145-E217 IonicContact NH1-OE2 2.76Å; R145-E217 PolarHBondContact NH1-OE2 2.66Å; R145-E217 IonicContact NH2-OE1 2.66Å; R145-E217 PolarHBondContact NH2-OE1 3.31Å; R145-E217 IonicContact NH2-OE2 2.67Å; R145-E217 PolarHBondContact NH2-OE2 3.42Å
146	P	91.8	Very high	95.7	Very high	13 Å²	13	23.5 Å²	23.5	8%	0.084	13%	0.134	C	C	.	.	H	α-helix	trans	-68.2	-21.8	176.9	27	-35.6	0	0	0	113.5	F37 P144 L150	F37-P146 HydrophobicContact CB-CB 4.48Å; F37-P146 HydrophobicContact CB-CG 4.22Å; F37-P146 HydrophobicContact CD1-CB 3.9Å; F37-P146 HydrophobicContact CD1-CG 4.45Å; F37-P146 HydrophobicContact CD2-CB 3.75Å; F37-P146 HydrophobicContact CD2-CG 3.53Å; F37-P146 HydrophobicContact CE1-CB 4.01Å; F37-P146 HydrophobicContact CE2-CB 3.8Å; F37-P146 HydrophobicContact CE2-CG 3.91Å; F37-P146 HydrophobicContact CG-CB 3.8Å; F37-P146 HydrophobicContact CG-CG 3.84Å; F37-P146 HydrophobicContact CZ-CB 3.95Å; P144-P146 VanDerWaalsContact O-N 3.15Å; P146-L150 WeakPolarHBondContact O-CB 3.29Å; P146-L150 PolarHBondContact O-N 2.8Å; P146-L150 VanDerWaalsContact O-N 3.12Å
147	V	93.6	Very high	95.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-71.1	-50.5	169.8	-171.1	0	0	0	0	109.7	I33 F37 I111 Q143 P144 R145 Q149 L150 L151	I33-V147 HydrophobicContact CD1-CB 4.49Å; I33-V147 HydrophobicContact CD1-CG1 4.24Å; I33-V147 HydrophobicContact CD1-CG2 3.61Å; I33-V147 HydrophobicContact CG1-CG2 4.01Å; F37-V147 HydrophobicContact CE2-CG2 3.96Å; I111-V147 WeakPolarHBondContact O-CG1 2.92Å; Q143-V147 HydrophobicContact CB-CB 3.92Å; Q143-V147 HydrophobicContact CB-CG1 3.92Å; Q143-V147 HydrophobicContact CG-CG1 4.2Å; P144-V147 HydrophobicContact CB-CG2 4.06Å; P144-V147 HydrophobicContact CG-CG2 4.18Å; P144-V147 WeakPolarHBondContact O-CA 3.35Å; P144-V147 WeakPolarHBondContact O-CB 3.29Å; P144-V147 PolarHBondContact O-N 3.04Å; R145-V147 PolarHBondContact O-N 3Å; V147-Q149 VanDerWaalsContact C-N 3.26Å; V147-Q149 PolarHBondContact O-N 3.48Å; V147-L150 WeakPolarHBondContact O-CA 3.46Å; V147-L150 WeakPolarHBondContact O-CB 3.13Å; V147-L150 PolarHBondContact O-N 2.68Å; V147-L151 HydrophobicContact CG1-CD1 4.01Å; V147-L151 HydrophobicContact CG1-CG 4.23Å; V147-L151 VanDerWaalsContact O-CG 3.32Å; V147-L151 WeakPolarHBondContact O-CG 3.1Å; V147-L151 PolarHBondContact O-N 3.33Å
148	Q	95.5	Very high	95.7	Very high	24 Å²	24	21.3 Å²	21.3	11%	0.112	12%	0.124	C	C	.	.	H	α-helix	trans	-52.1	-46.3	176.2	-59.3	176.3	-1.6	0	0	111.6	V141 Q143 P144 R145 L150 L151 A152 L218	V141-Q148 PolarHBondContact O-NE2 3.15Å; Q143-Q148 HydrophobicContact CB-CG 4.25Å; Q143-Q148 WeakPolarHBondContact O-CG 3.25Å; Q143-Q148 PolarHBondContact O-NE2 2.69Å; P144-Q148 PolarHBondContact O-N 3.5Å; P144-Q148 VanDerWaalsContact O-N 3.15Å; R145-Q148 VanDerWaalsContact CD-OE1 3.23Å; R145-Q148 WeakPolarHBondContact O-CB 3.29Å; R145-Q148 PolarHBondContact O-N 2.91Å; Q148-L150 PolarHBondContact O-N 2.77Å; Q148-L151 PolarHBondContact O-N 2.75Å; Q148-A152 WeakPolarHBondContact O-CB 3.48Å; Q148-A152 PolarHBondContact O-N 2.67Å; Q148-L218 HydrophobicContact CB-CD1 4.01Å; Q148-L218 HydrophobicContact CB-CD2 3.95Å
149	Q	95	Very high	95.6	Very high	19 Å²	19	18.1 Å²	18.1	9%	0.089	10%	0.101	C	C	.	.	H	α-helix	trans	-63.1	-38.6	175.8	-73	179.9	-16.3	0	0	113	I42 R145 V147 A152 L153 Y221	I42-Q149 HydrophobicContact CD1-CB 3.87Å; I42-Q149 HydrophobicContact CG1-CB 4.33Å; R145-Q149 WeakPolarHBondContact O-CG 3.47Å; R145-Q149 PolarHBondContact O-N 3.07Å; V147-Q149 VanDerWaalsContact C-N 3.26Å; V147-Q149 PolarHBondContact O-N 3.48Å; Q149-A152 PolarHBondContact O-N 3.27Å; Q149-L153 WeakPolarHBondContact O-CG 3.39Å; Q149-L153 PolarHBondContact O-N 3.39Å; Q149-L153 VanDerWaalsContact O-N 3.09Å; Q149-Y221 HydrophobicContact CB-CD1 4.14Å; Q149-Y221 HydrophobicContact CB-CE1 3.5Å; Q149-Y221 VanDerWaalsContact CB-CE1 3.5Å; Q149-Y221 HydrophobicContact CB-CE2 4.48Å; Q149-Y221 HydrophobicContact CG-CD1 4.02Å; Q149-Y221 HydrophobicContact CG-CD2 4.24Å; Q149-Y221 HydrophobicContact CG-CE1 3.7Å; Q149-Y221 HydrophobicContact CG-CE2 3.94Å; Q149-Y221 HydrophobicContact CG-CG 4.29Å
150	L	95.4	Very high	95.4	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-69.4	-43.3	178.4	179.7	60.9	0	0	0	111	F37 I42 I46 L50 Y103 L104 P146 V147 Q148 A152 L153 L154	F37-L150 HydrophobicContact CZ-CD2 4.12Å; I42-L150 HydrophobicContact CD1-CB 3.95Å; I42-L150 HydrophobicContact CD1-CD1 4.36Å; I42-L150 HydrophobicContact CG1-CB 4.28Å; I42-L150 HydrophobicContact CG2-CD1 4.48Å; I46-L150 HydrophobicContact CG2-CD1 4.43Å; L50-L150 HydrophobicContact CD1-CD1 3.57Å; Y103-L150 HydrophobicContact CE1-CD2 4.08Å; L104-L150 HydrophobicContact CD2-CD2 4.11Å; P146-L150 WeakPolarHBondContact O-CB 3.29Å; P146-L150 PolarHBondContact O-N 2.8Å; P146-L150 VanDerWaalsContact O-N 3.12Å; V147-L150 WeakPolarHBondContact O-CA 3.46Å; V147-L150 WeakPolarHBondContact O-CB 3.13Å; V147-L150 PolarHBondContact O-N 2.68Å; Q148-L150 PolarHBondContact O-N 2.77Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3.35Å; L150-L153 PolarHBondContact O-N 3Å; L150-L154 HydrophobicContact CD1-CD1 4.25Å; L150-L154 HydrophobicContact CD1-CG 4.44Å; L150-L154 HydrophobicContact CG-CD1 3.99Å; L150-L154 WeakPolarHBondContact O-CB 3.43Å; L150-L154 WeakPolarHBondContact O-CD1 3.36Å; L150-L154 VanDerWaalsContact O-CG 3.24Å; L150-L154 WeakPolarHBondContact O-CG 3.31Å; L150-L154 PolarHBondContact O-N 2.8Å
151	L	96.8	Very high	95.2	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-58.6	-45.5	171.9	-63.3	169.4	0	0	0	110.3	I111 L112 Q143 V147 Q148 L153 L154 F155 F214	I111-L151 HydrophobicContact CD1-CD2 3.84Å; I111-L151 HydrophobicContact CG1-CD2 4.31Å; L112-L151 HydrophobicContact CD2-CD1 3.77Å; L112-L151 HydrophobicContact CD2-CD2 3.94Å; L112-L151 HydrophobicContact CD2-CG 4.47Å; Q143-L151 HydrophobicContact CG-CD1 4.29Å; V147-L151 HydrophobicContact CG1-CD1 4.01Å; V147-L151 HydrophobicContact CG1-CG 4.23Å; V147-L151 VanDerWaalsContact O-CG 3.32Å; V147-L151 WeakPolarHBondContact O-CG 3.1Å; V147-L151 PolarHBondContact O-N 3.33Å; Q148-L151 PolarHBondContact O-N 2.75Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 3.44Å; L151-L154 PolarHBondContact O-N 2.79Å; L151-L154 VanDerWaalsContact O-N 3.15Å; L151-F155 HydrophobicContact CB-CD2 4.22Å; L151-F155 HydrophobicContact CD2-CD2 4.47Å; L151-F155 HydrophobicContact CD2-CE2 4Å; L151-F155 WeakPolarHBondContact O-CB 3.46Å; L151-F155 WeakPolarHBondContact O-CD2 3.17Å; L151-F155 PolarHBondContact O-N 3.19Å; L151-F214 HydrophobicContact CB-CE1 4.5Å
152	A	97.1	Very high	95	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.5	-41.8	178.1	0	0	0	0	0	113.1	Q148 Q149 L150 G156 F208 L218 Y221 F222	Q148-A152 WeakPolarHBondContact O-CB 3.48Å; Q148-A152 PolarHBondContact O-N 2.67Å; Q149-A152 PolarHBondContact O-N 3.27Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3.35Å; A152-G156 PolarHBondContact O-N 2.66Å; A152-F208 HydrophobicContact CB-CE2 4.46Å; A152-F208 WeakPolarHBondContact O-CZ 3.46Å; A152-L218 HydrophobicContact CB-CB 3.94Å; A152-Y221 HydrophobicContact CB-CD1 4.14Å; A152-F222 VanDerWaalsContact O-CD2 3.3Å; A152-F222 WeakPolarHBondContact O-CD2 3.36Å
153	L	97.6	Very high	94.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.5	-42.5	174.3	-71.1	169.6	0	0	0	112.6	I42 R47 L50 V51 Q149 L150 L151 I157 Y221 F222 E225 T226	I42-L153 HydrophobicContact CD1-CD1 3.63Å; R47-L153 HydrophobicContact CG-CD1 3.69Å; L50-L153 HydrophobicContact CB-CB 4.3Å; L50-L153 HydrophobicContact CD1-CB 3.99Å; L50-L153 HydrophobicContact CD1-CD1 4.34Å; V51-L153 HydrophobicContact CG2-CD2 4.33Å; Q149-L153 WeakPolarHBondContact O-CG 3.39Å; Q149-L153 PolarHBondContact O-N 3.39Å; Q149-L153 VanDerWaalsContact O-N 3.09Å; L150-L153 PolarHBondContact O-N 3Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 3.44Å; L153-I157 VanDerWaalsContact O-CD1 3.23Å; L153-I157 WeakPolarHBondContact O-CD1 3.41Å; L153-I157 WeakPolarHBondContact O-CG1 3.38Å; L153-I157 PolarHBondContact O-N 3.39Å; L153-I157 VanDerWaalsContact O-N 3.13Å; L153-Y221 HydrophobicContact CD1-CE1 4.22Å; L153-Y221 HydrophobicContact CG-CE1 4.06Å; L153-F222 HydrophobicContact CD2-CD2 4.19Å; L153-E225 HydrophobicContact CD2-CG 4.36Å; L153-T226 HydrophobicContact CD2-CG2 4.07Å
154	L	97.7	Very high	93.9	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-68.3	-54.4	-179.4	-70.3	166.7	0	0	0	112.3	L50 L104 I111 L150 L151 G156 I157 W158	L50-L154 HydrophobicContact CD1-CD2 4.4Å; L50-L154 HydrophobicContact CD2-CD2 3.81Å; L104-L154 HydrophobicContact CD1-CD1 3.76Å; L104-L154 HydrophobicContact CD1-CD2 4.03Å; L104-L154 HydrophobicContact CD2-CD1 3.76Å; L104-L154 HydrophobicContact CG-CD1 4.41Å; I111-L154 HydrophobicContact CD1-CD1 4.07Å; L150-L154 HydrophobicContact CD1-CD1 4.25Å; L150-L154 HydrophobicContact CD1-CG 4.44Å; L150-L154 HydrophobicContact CG-CD1 3.99Å; L150-L154 WeakPolarHBondContact O-CB 3.43Å; L150-L154 WeakPolarHBondContact O-CD1 3.36Å; L150-L154 VanDerWaalsContact O-CG 3.24Å; L150-L154 WeakPolarHBondContact O-CG 3.31Å; L150-L154 PolarHBondContact O-N 2.8Å; L151-L154 PolarHBondContact O-N 2.79Å; L151-L154 VanDerWaalsContact O-N 3.15Å; L154-G156 PolarHBondContact O-N 2.76Å; L154-I157 WeakPolarHBondContact O-CB 3.47Å; L154-I157 PolarHBondContact O-N 2.69Å; L154-W158 HydrophobicContact CB-CE3 4.26Å; L154-W158 HydrophobicContact CB-CH2 3.69Å; L154-W158 HydrophobicContact CB-CZ2 4.11Å; L154-W158 HydrophobicContact CB-CZ3 3.75Å; L154-W158 HydrophobicContact CD1-CH2 4.32Å; L154-W158 HydrophobicContact CD2-CH2 4.1Å; L154-W158 HydrophobicContact CD2-CZ2 3.94Å; L154-W158 HydrophobicContact CG-CH2 4.26Å; L154-W158 PolarHBondContact O-N 2.81Å
155	F	97.6	Very high	93.6	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.018	7%	0.07	C	C	.	.	H	α-helix	trans	-66.6	-36.1	-179.9	-76.9	-78.9	0	0	0	112	L151 I157 W158 F159 M201 L204 I205 F208 F214	L151-F155 HydrophobicContact CB-CD2 4.22Å; L151-F155 HydrophobicContact CD2-CD2 4.47Å; L151-F155 HydrophobicContact CD2-CE2 4Å; L151-F155 WeakPolarHBondContact O-CB 3.46Å; L151-F155 WeakPolarHBondContact O-CD2 3.17Å; L151-F155 PolarHBondContact O-N 3.19Å; F155-I157 PolarHBondContact O-N 3.18Å; F155-W158 AromaticContact CD1-CE3 3.8Å; F155-W158 HydrophobicContact CD1-CE3 3.8Å; F155-W158 HydrophobicContact CD1-CZ3 4.14Å; F155-W158 HydrophobicContact CD2-CZ3 4.23Å; F155-W158 HydrophobicContact CE1-CE3 4.01Å; F155-W158 HydrophobicContact CE1-CZ3 4.03Å; F155-W158 HydrophobicContact CE2-CZ3 4.13Å; F155-W158 HydrophobicContact CG-CE3 4.07Å; F155-W158 HydrophobicContact CG-CZ3 4.24Å; F155-W158 HydrophobicContact CZ-CE3 4.47Å; F155-W158 HydrophobicContact CZ-CZ3 4.03Å; F155-W158 PolarHBondContact O-N 2.98Å; F155-F159 WeakPolarHBondContact O-CB 3.41Å; F155-F159 PolarHBondContact O-N 3.17Å; F155-M201 HydrophobicContact CD1-CE 4.47Å; F155-M201 HydrophobicContact CE1-CE 3.53Å; F155-M201 HydrophobicContact CE1-SD 3.76Å; F155-M201 HydrophobicContact CZ-CE 3.74Å; F155-M201 HydrophobicContact CZ-SD 3.54Å; F155-M201 VanDerWaalsContact CZ-SD 3.54Å; F155-L204 HydrophobicContact CD1-CB 3.87Å; F155-L204 HydrophobicContact CE1-CB 3.27Å; F155-L204 HydrophobicContact CE1-CD1 4.18Å; F155-L204 HydrophobicContact CE1-CG 4.38Å; F155-L204 HydrophobicContact CE2-CD1 4.4Å; F155-L204 HydrophobicContact CZ-CB 3.72Å; F155-L204 HydrophobicContact CZ-CD1 3.72Å; F155-L204 HydrophobicContact CZ-CG 4.4Å; F155-I205 HydrophobicContact CD1-CG1 3.76Å; F155-I205 HydrophobicContact CE1-CG1 3.92Å; F155-F208 HydrophobicContact CB-CB 4.39Å; F155-F208 HydrophobicContact CB-CD2 3.53Å; F155-F208 HydrophobicContact CB-CE2 4.17Å; F155-F208 HydrophobicContact CB-CG 4.12Å; F155-F214 HydrophobicContact CB-CE1 3.99Å; F155-F214 HydrophobicContact CB-CE2 4.5Å; F155-F214 HydrophobicContact CB-CZ 3.75Å; F155-F214 HydrophobicContact CD1-CZ 4.14Å; F155-F214 AromaticContact CD2-CE1 3.89Å; F155-F214 HydrophobicContact CD2-CE1 3.89Å; F155-F214 AromaticContact CD2-CZ 3.58Å; F155-F214 HydrophobicContact CD2-CZ 3.58Å; F155-F214 HydrophobicContact CE2-CZ 4.2Å; F155-F214 HydrophobicContact CG-CE1 4.08Å; F155-F214 HydrophobicContact CG-CE2 4.43Å; F155-F214 AromaticContact CG-CZ 3.54Å; F155-F214 HydrophobicContact CG-CZ 3.54Å
156	G	96.1	Very high	93.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.5	-36.8	171.8	0	0	0	0	0	113.9	A152 L154 R160 F222	A152-G156 PolarHBondContact O-N 2.66Å; L154-G156 PolarHBondContact O-N 2.76Å; G156-R160 WeakPolarHBondContact O-CB 3.43Å; G156-R160 VanDerWaalsContact O-CG 3.29Å; G156-R160 WeakPolarHBondContact O-CG 3.22Å; G156-R160 PolarHBondContact O-N 2.99Å; G156-F222 VanDerWaalsContact C-CE2 3.42Å; G156-F222 VanDerWaalsContact CA-CE2 3.45Å; G156-F222 WeakPolarHBondContact O-CZ 3.35Å
157	I	96.6	Very high	93.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-50.1	171.1	-72.3	160.4	0	0	0	110.6	L50 I53 A54 F64 L153 L154 F155 F159 R160 M161	L50-I157 HydrophobicContact CB-CD1 3.94Å; L50-I157 HydrophobicContact CD2-CD1 3.78Å; L50-I157 HydrophobicContact CG-CD1 4.46Å; L50-I157 WeakPolarHBondContact O-CD1 3.28Å; I53-I157 HydrophobicContact CB-CD1 4.37Å; I53-I157 HydrophobicContact CG2-CD1 4.28Å; I53-I157 HydrophobicContact CG2-CG2 3.84Å; A54-I157 HydrophobicContact CB-CD1 4.38Å; A54-I157 HydrophobicContact CB-CG1 3.68Å; F64-I157 HydrophobicContact CE2-CG2 3.84Å; F64-I157 HydrophobicContact CZ-CG2 4.16Å; L153-I157 VanDerWaalsContact O-CD1 3.23Å; L153-I157 WeakPolarHBondContact O-CD1 3.41Å; L153-I157 WeakPolarHBondContact O-CG1 3.38Å; L153-I157 PolarHBondContact O-N 3.39Å; L153-I157 VanDerWaalsContact O-N 3.13Å; L154-I157 WeakPolarHBondContact O-CB 3.47Å; L154-I157 PolarHBondContact O-N 2.69Å; F155-I157 PolarHBondContact O-N 3.18Å; I157-F159 VanDerWaalsContact C-N 3.34Å; I157-F159 PolarHBondContact O-N 3.43Å; I157-R160 PolarHBondContact O-N 3.28Å; I157-M161 HydrophobicContact CG2-SD 4.15Å; I157-M161 WeakPolarHBondContact O-CG 3.32Å; I157-M161 PolarHBondContact O-N 2.7Å
158	W	97.2	Very high	93.1	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-67.1	-35.1	-176.8	-61	-33.6	0	0	0	112.6	F64 L154 F155 M161 I162 V175 V179 V183 M201 I205	F64-W158 AromaticContact CD1-NE1 3.8Å; F64-W158 AromaticContact CD2-NE1 3.82Å; F64-W158 HydrophobicContact CE1-CZ2 4.46Å; F64-W158 AromaticContact CE1-NE1 3.57Å; F64-W158 AromaticContact CE2-CD1 3.92Å; F64-W158 AromaticContact CE2-NE1 3.6Å; F64-W158 AromaticContact CG-NE1 3.94Å; F64-W158 AromaticContact CZ-NE1 3.47Å; L154-W158 HydrophobicContact CB-CE3 4.26Å; L154-W158 HydrophobicContact CB-CH2 3.69Å; L154-W158 HydrophobicContact CB-CZ2 4.11Å; L154-W158 HydrophobicContact CB-CZ3 3.75Å; L154-W158 HydrophobicContact CD1-CH2 4.32Å; L154-W158 HydrophobicContact CD2-CH2 4.1Å; L154-W158 HydrophobicContact CD2-CZ2 3.94Å; L154-W158 HydrophobicContact CG-CH2 4.26Å; L154-W158 PolarHBondContact O-N 2.81Å; F155-W158 AromaticContact CD1-CE3 3.8Å; F155-W158 HydrophobicContact CD1-CE3 3.8Å; F155-W158 HydrophobicContact CD1-CZ3 4.14Å; F155-W158 HydrophobicContact CD2-CZ3 4.23Å; F155-W158 HydrophobicContact CE1-CE3 4.01Å; F155-W158 HydrophobicContact CE1-CZ3 4.03Å; F155-W158 HydrophobicContact CE2-CZ3 4.13Å; F155-W158 HydrophobicContact CG-CE3 4.07Å; F155-W158 HydrophobicContact CG-CZ3 4.24Å; F155-W158 HydrophobicContact CZ-CE3 4.47Å; F155-W158 HydrophobicContact CZ-CZ3 4.03Å; F155-W158 PolarHBondContact O-N 2.98Å; W158-M161 WeakPolarHBondContact O-CB 3.49Å; W158-M161 PolarHBondContact O-N 3.09Å; W158-I162 PolarHBondContact O-N 2.78Å; W158-V175 HydrophobicContact CB-CG1 3.89Å; W158-V175 HydrophobicContact CG-CG1 3.84Å; W158-V179 HydrophobicContact CD2-CG2 4.24Å; W158-V179 HydrophobicContact CE3-CG2 4.37Å; W158-V179 HydrophobicContact CH2-CB 4.26Å; W158-V179 HydrophobicContact CH2-CG2 4.08Å; W158-V179 HydrophobicContact CZ2-CB 3.82Å; W158-V179 HydrophobicContact CZ2-CG1 3.9Å; W158-V179 HydrophobicContact CZ2-CG2 3.92Å; W158-V179 HydrophobicContact CZ3-CG2 4.31Å; W158-V183 HydrophobicContact CH2-CG2 3.62Å; W158-V183 HydrophobicContact CZ3-CG2 4.11Å; W158-M201 HydrophobicContact CD2-CE 4.44Å; W158-M201 HydrophobicContact CE3-CE 3.53Å; W158-M201 HydrophobicContact CH2-CE 3.98Å; W158-M201 HydrophobicContact CZ3-CE 3.27Å; W158-I205 HydrophobicContact CB-CD1 3.96Å; W158-I205 HydrophobicContact CB-CG1 3.86Å; W158-I205 HydrophobicContact CB-CG2 4.09Å; W158-I205 HydrophobicContact CE3-CD1 4.41Å; W158-I205 HydrophobicContact CE3-CG1 4.22Å; W158-I205 HydrophobicContact CG-CD1 4.44Å
159	F	94.9	Very high	92.9	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.035	12%	0.121	C	C	.	.	H	α-helix	trans	-63.9	-48.1	172.5	177.3	-104.9	0	0	0	111.8	F155 I157 M161 I162 Y163 I205 F208 A209 I230 V385 T387	F155-F159 WeakPolarHBondContact O-CB 3.41Å; F155-F159 PolarHBondContact O-N 3.17Å; I157-F159 VanDerWaalsContact C-N 3.34Å; I157-F159 PolarHBondContact O-N 3.43Å; F159-M161 PolarHBondContact O-N 2.78Å; F159-I162 WeakPolarHBondContact O-CG1 3.2Å; F159-I162 PolarHBondContact O-N 3.11Å; F159-Y163 PolarHBondContact O-N 3.41Å; F159-Y163 VanDerWaalsContact O-N 3.15Å; F159-I205 VanDerWaalsContact CD2-O 3.27Å; F159-I205 WeakPolarHBondContact CD2-O 3.38Å; F159-F208 HydrophobicContact CB-CB 3.85Å; F159-F208 HydrophobicContact CB-CD1 3.94Å; F159-F208 HydrophobicContact CB-CG 4.17Å; F159-F208 AromaticContact CD1-CD1 3.88Å; F159-F208 HydrophobicContact CD1-CD1 3.88Å; F159-F208 HydrophobicContact CD2-CB 4.05Å; F159-F208 HydrophobicContact CG-CB 3.95Å; F159-F208 AromaticContact CG-CD1 3.97Å; F159-F208 HydrophobicContact CG-CD1 3.97Å; F159-F208 HydrophobicContact CG-CG 4.4Å; F159-A209 HydrophobicContact CE1-CB 3.7Å; F159-A209 HydrophobicContact CE2-CB 4.02Å; F159-A209 HydrophobicContact CZ-CB 3.31Å; F159-I230 HydrophobicContact CD1-CD1 3.95Å; F159-I230 HydrophobicContact CD1-CG1 4.48Å; F159-I230 HydrophobicContact CE1-CD1 3.96Å; F159-I230 HydrophobicContact CE1-CG1 4.19Å; F159-I230 HydrophobicContact CE1-CG2 3.75Å; F159-I230 HydrophobicContact CZ-CG2 4.38Å; F159-V385 HydrophobicContact CE1-CG1 3.82Å; F159-V385 HydrophobicContact CE1-CG2 4.49Å; F159-V385 HydrophobicContact CE2-CG2 4.18Å; F159-V385 HydrophobicContact CZ-CB 4.17Å; F159-V385 HydrophobicContact CZ-CG1 3.6Å; F159-V385 HydrophobicContact CZ-CG2 3.53Å; F159-T387 HydrophobicContact CE1-CG2 4.13Å
160	R	93.2	Very high	92.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.8	-32.2	171.8	-70.8	-174.8	73.5	76.4	27.4	112.6	V58 G156 I157 H164 F222 T228 S229 T387	V58-R160 HydrophobicContact CB-CB 4.3Å; V58-R160 HydrophobicContact CG1-CB 3.8Å; G156-R160 WeakPolarHBondContact O-CB 3.43Å; G156-R160 VanDerWaalsContact O-CG 3.29Å; G156-R160 WeakPolarHBondContact O-CG 3.22Å; G156-R160 PolarHBondContact O-N 2.99Å; I157-R160 PolarHBondContact O-N 3.28Å; R160-H164 PolarHBondContact O-CD2 3.25Å; R160-H164 PolarHBondContact O-N 3.2Å; R160-F222 HydrophobicContact CG-CE1 4.35Å; R160-F222 HydrophobicContact CG-CZ 4.27Å; R160-T228 VanDerWaalsContact NH1-CB 3.25Å; R160-T228 PolarHBondContact NH1-OG1 2.96Å; R160-S229 PolarHBondContact NH1-O 3.25Å; R160-T387 HydrophobicContact CG-CG2 4.42Å; R160-T387 VanDerWaalsContact CZ-OG1 3.25Å; R160-T387 PolarHBondContact NH2-O 2.95Å; R160-T387 PolarHBondContact NH2-OG1 3.23Å
161	M	93.3	Very high	92.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.6	-45.6	174.9	-76.5	176.4	56.3	0	0	112.6	V58 L63 F64 I157 W158 F159 Y163 H164 T165 N168 V175	V58-M161 HydrophobicContact CB-CG 4.23Å; V58-M161 HydrophobicContact CG1-CG 4.32Å; L63-M161 HydrophobicContact CB-CE 3.86Å; L63-M161 HydrophobicContact CB-SD 4.39Å; L63-M161 HydrophobicContact CD2-SD 4.13Å; L63-M161 HydrophobicContact CG-SD 4.47Å; F64-M161 HydrophobicContact CD2-CE 3.98Å; F64-M161 HydrophobicContact CD2-SD 3.56Å; F64-M161 VanDerWaalsContact CD2-SD 3.56Å; F64-M161 HydrophobicContact CE2-SD 3.7Å; I157-M161 HydrophobicContact CG2-SD 4.15Å; I157-M161 WeakPolarHBondContact O-CG 3.32Å; I157-M161 PolarHBondContact O-N 2.7Å; W158-M161 WeakPolarHBondContact O-CB 3.49Å; W158-M161 PolarHBondContact O-N 3.09Å; F159-M161 PolarHBondContact O-N 2.78Å; M161-Y163 PolarHBondContact O-N 3.24Å; M161-H164 CarbonylContact O-C 3.54Å; M161-H164 PolarHBondContact O-N 2.8Å; M161-T165 PolarHBondContact O-N 2.99Å; M161-N168 PolarHBondContact O-ND2 3.08Å; M161-V175 HydrophobicContact CE-CG2 4.04Å
162	I	91	Very high	92.8	Very high	27 Å²	27	25 Å²	25	14%	0.138	14%	0.14	C	C	.	.	H	α-helix	trans	-67.8	-24.4	179	64.3	158.1	0	0	0	112.2	W158 F159 H164 T165 V172 V175 I205 T206	W158-I162 PolarHBondContact O-N 2.78Å; F159-I162 WeakPolarHBondContact O-CG1 3.2Å; F159-I162 PolarHBondContact O-N 3.11Å; I162-H164 VanDerWaalsContact C-N 3.25Å; I162-H164 PolarHBondContact O-N 2.91Å; I162-T165 WeakPolarHBondContact O-CB 3.27Å; I162-T165 PolarHBondContact O-N 3.36Å; I162-V172 HydrophobicContact CD1-CB 4.36Å; I162-V172 HydrophobicContact CD1-CG2 4.35Å; I162-V172 HydrophobicContact CG2-CB 3.85Å; I162-V172 HydrophobicContact CG2-CG2 4.25Å; I162-V175 HydrophobicContact CG2-CG2 4.06Å; I162-I205 HydrophobicContact CD1-CG2 3.86Å; I162-I205 HydrophobicContact CG1-CG2 4.09Å; I162-I205 HydrophobicContact CG2-CG2 4.06Å; I162-T206 HydrophobicContact CD1-CG2 3.89Å
163	Y	81.3	Confident	92.7	Very high	80 Å²	80	29.2 Å²	29.2	31%	0.314	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.1	171	-170.4	-103.3	0	0	0	114	F159 M161 V385 T387	F159-Y163 PolarHBondContact O-N 3.41Å; F159-Y163 VanDerWaalsContact O-N 3.15Å; M161-Y163 PolarHBondContact O-N 3.24Å; Y163-V385 HydrophobicContact CD2-CB 4.18Å; Y163-V385 HydrophobicContact CD2-CG1 3.85Å; Y163-V385 HydrophobicContact CE2-CB 4.33Å; Y163-V385 HydrophobicContact CE2-CG1 4.24Å; Y163-V385 WeakPolarHBondContact CE2-O 3.47Å; Y163-V385 HydrophobicContact CG-CG1 4.26Å; Y163-V385 PolarHBondContact OH-O 2.96Å; Y163-V385 VanDerWaalsContact OH-O 3.06Å; Y163-T387 HydrophobicContact CD1-CG2 4.09Å; Y163-T387 HydrophobicContact CG-CG2 4.17Å
164	H	84.1	Confident	92.6	Very high	34 Å²	34	30.3 Å²	30.3	16%	0.157	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	28.8	175.3	-67.7	-49.8	0	0	0	112.2	R160 M161 I162 E166 V167 N168	R160-H164 PolarHBondContact O-CD2 3.25Å; R160-H164 PolarHBondContact O-N 3.2Å; M161-H164 CarbonylContact O-C 3.54Å; M161-H164 PolarHBondContact O-N 2.8Å; I162-H164 VanDerWaalsContact C-N 3.25Å; I162-H164 PolarHBondContact O-N 2.91Å; H164-E166 VanDerWaalsContact C-OE2 3.29Å; H164-E166 VanDerWaalsContact CA-OE1 3.29Å; H164-E166 WeakPolarHBondContact CA-OE1 3.47Å; H164-E166 IonicContact ND1-OE1 3.37Å; H164-E166 PolarHBondContact O-N 3.46Å; H164-V167 PolarHBondContact O-N 2.95Å; H164-N168 PolarHBondContact O-N 2.84Å; H164-N168 PolarHBondContact O-ND2 2.98Å; H164-N168 PolarHBondContact O-OD1 3.29Å
165	T	87.6	Confident	92.6	Very high	31 Å²	31	30.2 Å²	30.2	19%	0.19	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-31	-173.4	-161.4	0	0	0	0	112.9	M161 I162 V167 N168 A169 M170 N287	M161-T165 PolarHBondContact O-N 2.99Å; I162-T165 WeakPolarHBondContact O-CB 3.27Å; I162-T165 PolarHBondContact O-N 3.36Å; T165-V167 VanDerWaalsContact C-N 3.32Å; T165-V167 PolarHBondContact O-N 3.28Å; T165-N168 WeakPolarHBondContact CA-OD1 3.18Å; T165-A169 VanDerWaalsContact O-CA 3.3Å; T165-A169 WeakPolarHBondContact O-CA 3.4Å; T165-A169 PolarHBondContact O-N 3.43Å; T165-M170 PolarHBondContact OG1-O 3.38Å; T165-N287 HydrophobicContact CG2-CB 4.3Å
166	E	86.9	Confident	92.6	Very high	113 Å²	113	30 Å²	30	53%	0.528	17%	0.168	S	C	.	.	H	α-helix	trans	-67	-26.5	174.4	72.9	-57.6	139.4	0	0	113.8	H164	H164-E166 VanDerWaalsContact C-OE2 3.29Å; H164-E166 VanDerWaalsContact CA-OE1 3.29Å; H164-E166 WeakPolarHBondContact CA-OE1 3.47Å; H164-E166 IonicContact ND1-OE1 3.37Å; H164-E166 PolarHBondContact O-N 3.46Å
167	V	89.7	Confident	92.6	Very high	83 Å²	83	35.6 Å²	35.6	50%	0.503	19%	0.192	S	C	.	.	H	α-helix	trans	-96.5	-41.8	175.5	179.2	0	0	0	0	111.9	A59 H164 T165	A59-V167 HydrophobicContact CB-CG1 4.08Å; H164-V167 PolarHBondContact O-N 2.95Å; T165-V167 VanDerWaalsContact C-N 3.32Å; T165-V167 PolarHBondContact O-N 3.28Å
168	N	91	Very high	92.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-96.1	-4	-172.2	71.9	28.4	0	0	0	114.9	V58 T61 D62 M161 H164 T165 M170	V58-N168 PolarHBondContact O-ND2 2.92Å; T61-N168 VanDerWaalsContact CA-O 3.26Å; T61-N168 WeakPolarHBondContact CA-O 3.49Å; D62-N168 PolarHBondContact N-O 3.17Å; D62-N168 VanDerWaalsContact N-O 3.09Å; M161-N168 PolarHBondContact O-ND2 3.08Å; H164-N168 PolarHBondContact O-N 2.84Å; H164-N168 PolarHBondContact O-ND2 2.98Å; H164-N168 PolarHBondContact O-OD1 3.29Å; T165-N168 WeakPolarHBondContact CA-OD1 3.18Å; N168-M170 PolarHBondContact O-N 3.12Å; N168-M170 VanDerWaalsContact O-N 3.17Å; N168-M170 WeakPolarHBondContact OD1-CB 3.37Å; N168-M170 PolarHBondContact OD1-N 3.32Å
169	A	91.4	Very high	92.5	Very high	64 Å²	64	37 Å²	37	53%	0.529	20%	0.201	S	C	.	.			trans	53.7	30.6	179.1	0	0	0	0	0	115	T165	T165-A169 VanDerWaalsContact O-CA 3.3Å; T165-A169 WeakPolarHBondContact O-CA 3.4Å; T165-A169 PolarHBondContact O-N 3.43Å
170	M	93.9	Very high	92.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.			trans	-117	105.2	177.5	-73	-70.5	-68.1	0	0	110.3	R65 T165 N168 A174 V175	R65-M170 HydrophobicContact CB-CE 3.79Å; R65-M170 HydrophobicContact CB-SD 3.85Å; R65-M170 HydrophobicContact CG-SD 4.42Å; R65-M170 PolarHBondContact NH1-SD 2.9Å; T165-M170 PolarHBondContact OG1-O 3.38Å; N168-M170 PolarHBondContact O-N 3.12Å; N168-M170 VanDerWaalsContact O-N 3.17Å; N168-M170 WeakPolarHBondContact OD1-CB 3.37Å; N168-M170 PolarHBondContact OD1-N 3.32Å; M170-A174 VanDerWaalsContact CE-C 3.42Å; M170-A174 HydrophobicContact CE-CB 3.89Å; M170-A174 WeakPolarHBondContact CE-O 3.34Å; M170-A174 HydrophobicContact SD-CB 3.99Å; M170-V175 HydrophobicContact CB-CG2 3.89Å; M170-V175 HydrophobicContact CE-CB 4.41Å; M170-V175 HydrophobicContact CE-CG2 3.87Å
171	S	94.7	Very high	92.6	Very high	55 Å²	55	38.2 Å²	38.2	39%	0.385	22%	0.216	S	C	.	.			trans	-69.6	163.4	169	65.4	0	0	0	0	111.2	E173 A174 V175	S171-E173 VanDerWaalsContact C-N 3.28Å; S171-E173 PolarHBondContact O-N 3.47Å; S171-A174 WeakPolarHBondContact O-CA 3.42Å; S171-A174 WeakPolarHBondContact O-CB 3.24Å; S171-A174 PolarHBondContact O-N 2.91Å; S171-A174 PolarHBondContact OG-N 3.03Å; S171-V175 PolarHBondContact O-N 3.33Å
172	V	95.3	Very high	92.6	Very high	22 Å²	22	38.7 Å²	38.7	13%	0.133	22%	0.22	C	C	.	.	H	α-helix	trans	-51.8	-45.7	175.8	62.4	0	0	0	0	112.6	I162 A174 V175 A176 E202 I205 T206	I162-V172 HydrophobicContact CD1-CB 4.36Å; I162-V172 HydrophobicContact CD1-CG2 4.35Å; I162-V172 HydrophobicContact CG2-CB 3.85Å; I162-V172 HydrophobicContact CG2-CG2 4.25Å; V172-A174 VanDerWaalsContact C-N 3.31Å; V172-A174 PolarHBondContact O-N 2.85Å; V172-V175 PolarHBondContact O-N 3.2Å; V172-A176 VanDerWaalsContact O-CB 3.28Å; V172-A176 WeakPolarHBondContact O-CB 3.28Å; V172-A176 PolarHBondContact O-N 3.03Å; V172-E202 HydrophobicContact CG2-CB 4.22Å; V172-E202 HydrophobicContact CG2-CG 4.14Å; V172-I205 HydrophobicContact CG2-CB 4.31Å; V172-I205 HydrophobicContact CG2-CG2 4.2Å; V172-T206 HydrophobicContact CG2-CG2 3.93Å
173	E	96.1	Very high	92.8	Very high	90 Å²	90	37.5 Å²	37.5	42%	0.421	21%	0.214	S	C	.	.	H	α-helix	trans	-57	-43.8	174.6	-58.6	-175.4	-147.4	0	0	112.4	S171 A176 K177	S171-E173 VanDerWaalsContact C-N 3.28Å; S171-E173 PolarHBondContact O-N 3.47Å; E173-A176 PolarHBondContact O-N 2.75Å; E173-K177 HydrophobicContact CB-CD 4.31Å; E173-K177 WeakPolarHBondContact O-CB 3.47Å; E173-K177 VanDerWaalsContact O-CD 3.31Å; E173-K177 WeakPolarHBondContact O-CD 3.4Å; E173-K177 WeakPolarHBondContact O-CG 3.29Å; E173-K177 PolarHBondContact O-N 2.85Å; E173-K177 IonicContact OE2-NZ 3.09Å; E173-K177 PolarHBondContact OE2-NZ 2.79Å
174	A	96	Very high	93.4	Very high	22 Å²	22	33.7 Å²	33.7	18%	0.182	20%	0.199	C	C	.	.	H	α-helix	trans	-68.7	-36.7	-177.9	0	0	0	0	0	111.3	M170 S171 V172 S178	M170-A174 VanDerWaalsContact CE-C 3.42Å; M170-A174 HydrophobicContact CE-CB 3.89Å; M170-A174 WeakPolarHBondContact CE-O 3.34Å; M170-A174 HydrophobicContact SD-CB 3.99Å; S171-A174 WeakPolarHBondContact O-CA 3.42Å; S171-A174 WeakPolarHBondContact O-CB 3.24Å; S171-A174 PolarHBondContact O-N 2.91Å; S171-A174 PolarHBondContact OG-N 3.03Å; V172-A174 VanDerWaalsContact C-N 3.31Å; V172-A174 PolarHBondContact O-N 2.85Å; A174-S178 VanDerWaalsContact O-CB 3.24Å; A174-S178 WeakPolarHBondContact O-CB 3.35Å; A174-S178 PolarHBondContact O-N 3.35Å; A174-S178 PolarHBondContact O-OG 2.89Å
175	V	97	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66	-55.9	172.5	-178.5	0	0	0	0	109.5	W158 M161 I162 M170 S171 V172 K177 S178 V179 I205	W158-V175 HydrophobicContact CB-CG1 3.89Å; W158-V175 HydrophobicContact CG-CG1 3.84Å; M161-V175 HydrophobicContact CE-CG2 4.04Å; I162-V175 HydrophobicContact CG2-CG2 4.06Å; M170-V175 HydrophobicContact CB-CG2 3.89Å; M170-V175 HydrophobicContact CE-CB 4.41Å; M170-V175 HydrophobicContact CE-CG2 3.87Å; S171-V175 PolarHBondContact O-N 3.33Å; V172-V175 PolarHBondContact O-N 3.2Å; V175-K177 PolarHBondContact O-N 2.87Å; V175-S178 WeakPolarHBondContact O-CA 3.46Å; V175-S178 WeakPolarHBondContact O-CB 3.45Å; V175-S178 PolarHBondContact O-N 3.34Å; V175-V179 WeakPolarHBondContact O-CG2 3.24Å; V175-V179 PolarHBondContact O-N 3.12Å; V175-V179 VanDerWaalsContact O-N 3.16Å; V175-I205 HydrophobicContact CB-CD1 4.46Å; V175-I205 HydrophobicContact CG1-CD1 3.99Å
176	A	97.4	Very high	93.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-51.6	-54.7	-179.7	0	0	0	0	0	112.2	V172 E173 S178 V179 A180 M201 E202 I205	V172-A176 VanDerWaalsContact O-CB 3.28Å; V172-A176 WeakPolarHBondContact O-CB 3.28Å; V172-A176 PolarHBondContact O-N 3.03Å; E173-A176 PolarHBondContact O-N 2.75Å; A176-S178 PolarHBondContact O-N 2.61Å; A176-S178 VanDerWaalsContact O-N 3.17Å; A176-V179 PolarHBondContact O-N 3.07Å; A176-V179 VanDerWaalsContact O-N 3.09Å; A176-A180 VanDerWaalsContact O-CB 3.28Å; A176-A180 WeakPolarHBondContact O-CB 3.31Å; A176-A180 PolarHBondContact O-N 3.4Å; A176-M201 HydrophobicContact CB-CB 3.69Å; A176-E202 HydrophobicContact CB-CG 3.71Å; A176-I205 HydrophobicContact CB-CD1 4.28Å
177	K	95.6	Very high	93.7	Very high	118 Å²	118	29 Å²	29	51%	0.513	18%	0.183	S	C	.	.	H	α-helix	trans	-62.1	-23.3	178.1	-65.8	162.5	-170.8	173.4	0	112.8	E173 V175	E173-K177 HydrophobicContact CB-CD 4.31Å; E173-K177 WeakPolarHBondContact O-CB 3.47Å; E173-K177 VanDerWaalsContact O-CD 3.31Å; E173-K177 WeakPolarHBondContact O-CD 3.4Å; E173-K177 WeakPolarHBondContact O-CG 3.29Å; E173-K177 PolarHBondContact O-N 2.85Å; E173-K177 IonicContact OE2-NZ 3.09Å; E173-K177 PolarHBondContact OE2-NZ 2.79Å; V175-K177 PolarHBondContact O-N 2.87Å
178	S	96	Very high	93.4	Very high	28 Å²	28	28.9 Å²	28.9	20%	0.196	18%	0.182	C	C	.	.	H	α-helix	trans	-85.9	-14.5	177	-60.8	0	0	0	0	114.8	A174 V175 A176	A174-S178 VanDerWaalsContact O-CB 3.24Å; A174-S178 WeakPolarHBondContact O-CB 3.35Å; A174-S178 PolarHBondContact O-N 3.35Å; A174-S178 PolarHBondContact O-OG 2.89Å; V175-S178 WeakPolarHBondContact O-CA 3.46Å; V175-S178 WeakPolarHBondContact O-CB 3.45Å; V175-S178 PolarHBondContact O-N 3.34Å; A176-S178 PolarHBondContact O-N 2.61Å; A176-S178 VanDerWaalsContact O-N 3.17Å
179	V	96.8	Very high	93.1	Very high	1 Å²	1	34 Å²	34	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-124.7	-19.6	-176.4	-55	0	0	0	0	114.5	F64 K101 W158 V175 A176 G181 S182 V183 M201	F64-V179 HydrophobicContact CB-CG1 3.77Å; F64-V179 HydrophobicContact CD1-CG1 3.73Å; F64-V179 HydrophobicContact CG-CG1 3.93Å; K101-V179 HydrophobicContact CD-CG1 4.34Å; W158-V179 HydrophobicContact CD2-CG2 4.24Å; W158-V179 HydrophobicContact CE3-CG2 4.37Å; W158-V179 HydrophobicContact CH2-CB 4.26Å; W158-V179 HydrophobicContact CH2-CG2 4.08Å; W158-V179 HydrophobicContact CZ2-CB 3.82Å; W158-V179 HydrophobicContact CZ2-CG1 3.9Å; W158-V179 HydrophobicContact CZ2-CG2 3.92Å; W158-V179 HydrophobicContact CZ3-CG2 4.31Å; V175-V179 WeakPolarHBondContact O-CG2 3.24Å; V175-V179 PolarHBondContact O-N 3.12Å; V175-V179 VanDerWaalsContact O-N 3.16Å; A176-V179 PolarHBondContact O-N 3.07Å; A176-V179 VanDerWaalsContact O-N 3.09Å; V179-G181 VanDerWaalsContact C-N 3.35Å; V179-G181 PolarHBondContact O-N 3.29Å; V179-S182 WeakPolarHBondContact O-CA 3.21Å; V179-S182 WeakPolarHBondContact O-CB 3.43Å; V179-S182 PolarHBondContact O-N 2.95Å; V179-V183 PolarHBondContact O-N 2.72Å; V179-M201 HydrophobicContact CG2-CE 3.35Å
180	A	95.7	Very high	93	Very high	3 Å²	3	34 Å²	34	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-52.8	-48.1	-175.3	0	0	0	0	0	112.5	A176 S182 V183 F184 A197 M201	A176-A180 VanDerWaalsContact O-CB 3.28Å; A176-A180 WeakPolarHBondContact O-CB 3.31Å; A176-A180 PolarHBondContact O-N 3.4Å; A180-S182 PolarHBondContact O-N 3.2Å; A180-V183 PolarHBondContact O-N 3.28Å; A180-F184 PolarHBondContact O-N 3.49Å; A180-A197 HydrophobicContact CB-CB 4.48Å; A180-M201 HydrophobicContact CB-CG 3.88Å
181	G	93.4	Very high	92.9	Very high	31 Å²	31	38.7 Å²	38.7	32%	0.32	24%	0.238	S	C	.	.	H	α-helix	trans	-66.4	-5.7	177.3	0	0	0	0	0	115.6	L105 V179	L105-G181 VanDerWaalsContact CD2-O 3.26Å; L105-G181 WeakPolarHBondContact CD2-O 3.14Å; V179-G181 VanDerWaalsContact C-N 3.35Å; V179-G181 PolarHBondContact O-N 3.29Å
182	S	94	Very high	92.8	Very high	11 Å²	11	44.4 Å²	44.4	8%	0.077	25%	0.251	C	S	.	.	H	α-helix	trans	-101	-17.8	171.1	-54.8	0	0	0	0	113.6	L104 V179 A180	L104-S182 WeakPolarHBondContact CB-O 3.43Å; V179-S182 WeakPolarHBondContact O-CA 3.21Å; V179-S182 WeakPolarHBondContact O-CB 3.43Å; V179-S182 PolarHBondContact O-N 2.95Å; A180-S182 PolarHBondContact O-N 3.2Å
183	V	95.1	Very high	92.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-94.7	-39.2	174	176.5	0	0	0	0	110.8	L104 I111 L112 W158 V179 A180 P185 M201	L104-V183 HydrophobicContact CD1-CG2 4.35Å; I111-V183 HydrophobicContact CD1-CB 4.47Å; I111-V183 HydrophobicContact CD1-CG1 4.08Å; I111-V183 HydrophobicContact CD1-CG2 4.3Å; I111-V183 HydrophobicContact CG1-CG1 4.33Å; L112-V183 HydrophobicContact CD1-CG1 4.18Å; W158-V183 HydrophobicContact CH2-CG2 3.62Å; W158-V183 HydrophobicContact CZ3-CG2 4.11Å; V179-V183 PolarHBondContact O-N 2.72Å; A180-V183 PolarHBondContact O-N 3.28Å; V183-P185 WeakPolarHBondContact O-CD 3.48Å; V183-M201 HydrophobicContact CB-SD 4.15Å; V183-M201 HydrophobicContact CG1-SD 4.11Å; V183-M201 HydrophobicContact CG2-CE 4.23Å; V183-M201 HydrophobicContact CG2-SD 4.12Å
184	F	94	Very high	92.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.254	C	S	.	.			trans	-114	66.7	-178.7	-64.2	-94.6	0	0	0	111.3	L112 E117 L120 L121 A180 S186 C187 A197 V200 M201	L112-F184 HydrophobicContact CD1-CE1 4.15Å; L112-F184 HydrophobicContact CD1-CZ 4.15Å; E117-F184 HydrophobicContact CB-CD1 3.89Å; E117-F184 HydrophobicContact CB-CE1 4.37Å; E117-F184 HydrophobicContact CG-CB 4.46Å; E117-F184 HydrophobicContact CG-CD1 3.66Å; E117-F184 HydrophobicContact CG-CE1 4.33Å; E117-F184 HydrophobicContact CG-CG 4.39Å; E117-F184 WeakPolarHBondContact OE2-CA 3.44Å; E117-F184 WeakPolarHBondContact OE2-CB 3.35Å; L120-F184 HydrophobicContact CB-CE1 4.11Å; L120-F184 HydrophobicContact CB-CZ 4.37Å; L120-F184 HydrophobicContact CD1-CE1 4.05Å; L120-F184 HydrophobicContact CD1-CZ 3.84Å; L121-F184 HydrophobicContact CD1-CD1 3.81Å; L121-F184 HydrophobicContact CD1-CE1 3.82Å; A180-F184 PolarHBondContact O-N 3.49Å; F184-S186 VanDerWaalsContact C-N 3.28Å; F184-S186 PolarHBondContact O-N 2.88Å; F184-C187 HydrophobicContact CB-CB 3.84Å; F184-C187 PolarHBondContact O-N 2.67Å; F184-A197 HydrophobicContact CB-CB 3.91Å; F184-A197 HydrophobicContact CD1-CB 4.36Å; F184-A197 HydrophobicContact CD2-CB 4.09Å; F184-A197 HydrophobicContact CG-CB 3.88Å; F184-V200 HydrophobicContact CE1-CG1 4.46Å; F184-V200 HydrophobicContact CE2-CG1 4.3Å; F184-V200 HydrophobicContact CZ-CB 4.27Å; F184-V200 HydrophobicContact CZ-CG1 3.66Å; F184-M201 HydrophobicContact CD2-CG 4.24Å; F184-M201 HydrophobicContact CD2-SD 4.31Å; F184-M201 HydrophobicContact CE2-CG 3.91Å; F184-M201 HydrophobicContact CE2-SD 3.75Å
185	P	91.2	Very high	92.4	Very high	32 Å²	32	49.9 Å²	49.9	21%	0.208	27%	0.274	C	S	.	.	S	Bend	trans	-62.8	-34.3	179.7	26.4	-34.2	0	0	0	112.3	E117 V183 C187 T188	E117-P185 WeakPolarHBondContact OE1-CD 3.24Å; V183-P185 WeakPolarHBondContact O-CD 3.48Å; P185-C187 VanDerWaalsContact C-N 3.27Å; P185-C187 PolarHBondContact O-N 2.86Å; P185-T188 WeakPolarHBondContact O-CB 3.43Å; P185-T188 WeakPolarHBondContact O-CG2 3.45Å; P185-T188 PolarHBondContact O-N 2.99Å; P185-T188 PolarHBondContact O-OG1 3.44Å
186	S	87.7	Confident	92.4	Very high	47 Å²	47	52.3 Å²	52.3	33%	0.329	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-67.7	-29.9	-179.6	-44.5	0	0	0	0	112	E117 F184 T188 T189	E117-S186 VanDerWaalsContact CD-CB 3.45Å; E117-S186 WeakPolarHBondContact OE1-CB 3.45Å; E117-S186 PolarHBondContact OE1-N 2.87Å; E117-S186 VanDerWaalsContact OE1-N 3.15Å; E117-S186 PolarHBondContact OE1-OG 3.46Å; E117-S186 WeakPolarHBondContact OE2-CA 3.28Å; E117-S186 VanDerWaalsContact OE2-CB 3.29Å; E117-S186 WeakPolarHBondContact OE2-CB 3.4Å; E117-S186 PolarHBondContact OE2-N 3.42Å; E117-S186 VanDerWaalsContact OE2-N 3.08Å; F184-S186 VanDerWaalsContact C-N 3.28Å; F184-S186 PolarHBondContact O-N 2.88Å; S186-T188 VanDerWaalsContact C-N 3.26Å; S186-T188 PolarHBondContact O-N 3.31Å; S186-T189 PolarHBondContact O-OG1 3.27Å
187	C	84.8	Confident	92.3	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.014	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-74.8	-5.9	177.4	-62	0	0	0	0	114.8	E117 L121 F184 P185 T189 K193 V194 A197	E117-C187 PolarHBondContact OE2-N 3.23Å; E117-C187 VanDerWaalsContact OE2-N 3.13Å; E117-C187 PolarHBondContact OE2-SG 3.12Å; L121-C187 HydrophobicContact CD2-CB 4.45Å; L121-C187 VanDerWaalsContact CD2-SG 3.57Å; F184-C187 HydrophobicContact CB-CB 3.84Å; F184-C187 PolarHBondContact O-N 2.67Å; P185-C187 VanDerWaalsContact C-N 3.27Å; P185-C187 PolarHBondContact O-N 2.86Å; C187-T189 PolarHBondContact O-N 2.91Å; C187-K193 HydrophobicContact CB-CB 4.07Å; C187-K193 CarbonylContact O-C 3.6Å; C187-K193 WeakPolarHBondContact O-CB 3.12Å; C187-V194 WeakPolarHBondContact O-CG2 3.23Å; C187-V194 PolarHBondContact O-N 2.75Å; C187-A197 HydrophobicContact CB-CB 3.98Å
188	T	83.5	Confident	92.4	Very high	79 Å²	79	47.2 Å²	47.2	49%	0.485	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-72.5	-5.3	-178.6	62.3	0	0	0	0	114.8	P185 S186	P185-T188 WeakPolarHBondContact O-CB 3.43Å; P185-T188 WeakPolarHBondContact O-CG2 3.45Å; P185-T188 PolarHBondContact O-N 2.99Å; P185-T188 PolarHBondContact O-OG1 3.44Å; S186-T188 VanDerWaalsContact C-N 3.26Å; S186-T188 PolarHBondContact O-N 3.31Å
189	T	84.6	Confident	92.4	Very high	108 Å²	108	50.1 Å²	50.1	66%	0.663	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-72.8	-26	-173.4	48.1	0	0	0	0	115.4	S186 C187	S186-T189 PolarHBondContact O-OG1 3.27Å; C187-T189 PolarHBondContact O-N 2.91Å
190	T	90.2	Very high	92.4	Very high	63 Å²	63	50.1 Å²	50.1	39%	0.387	27%	0.272	S	S	.	.	S	Bend	trans	-143.2	147.4	-180	63.5	0	0	0	0	111.1	R192 K193 V194	T190-R192 VanDerWaalsContact C-N 3.3Å; T190-R192 PolarHBondContact O-N 2.75Å; T190-K193 PolarHBondContact O-N 3.38Å; T190-K193 VanDerWaalsContact O-N 3.08Å; T190-K193 WeakPolarHBondContact OG1-CB 3.45Å; T190-K193 WeakPolarHBondContact OG1-CG 3.29Å; T190-K193 PolarHBondContact OG1-N 2.87Å; T190-V194 PolarHBondContact O-N 3.28Å; T190-V194 VanDerWaalsContact O-N 3.08Å
191	P	91.1	Very high	92.5	Very high	99 Å²	99	50 Å²	50	64%	0.643	27%	0.27	S	S	*	.	H	α-helix	trans	-58.5	-40.6	-178.9	22	-32.7	0	0	0	112.3	K193 V194 E195	P191-K193 VanDerWaalsContact C-N 3.31Å; P191-K193 PolarHBondContact O-N 2.87Å; P191-V194 PolarHBondContact O-N 2.89Å; P191-V194 VanDerWaalsContact O-N 3.1Å; P191-E195 WeakPolarHBondContact O-CG 3.33Å; P191-E195 PolarHBondContact O-N 2.74Å
192	R	92.3	Very high	92.7	Very high	176 Å²	176	49.5 Å²	49.5	66%	0.664	26%	0.26	S	S	*	.	H	α-helix	trans	-60.2	-35.5	176.6	-173	178.2	177.1	-164.1	-3.1	113.1	T190 R196	T190-R192 VanDerWaalsContact C-N 3.3Å; T190-R192 PolarHBondContact O-N 2.75Å; R192-R196 WeakPolarHBondContact O-CG 3.41Å; R192-R196 PolarHBondContact O-N 2.87Å; R192-R196 VanDerWaalsContact O-N 3.12Å
193	K	92.6	Very high	92.7	Very high	60 Å²	60	52.6 Å²	52.6	26%	0.261	27%	0.271	S	S	.	.	H	α-helix	trans	-74.7	-35.7	173.8	-76	-160.2	174.6	-160.6	0	112.3	E118 L121 C187 T190 P191 R196 A197	E118-K193 WeakPolarHBondContact OE1-CE 3.26Å; E118-K193 IonicContact OE1-NZ 2.81Å; E118-K193 PolarHBondContact OE1-NZ 3.28Å; E118-K193 IonicContact OE2-NZ 3.17Å; E118-K193 PolarHBondContact OE2-NZ 3.09Å; L121-K193 HydrophobicContact CD2-CB 4.19Å; L121-K193 HydrophobicContact CD2-CD 4.24Å; L121-K193 HydrophobicContact CD2-CG 4.02Å; C187-K193 HydrophobicContact CB-CB 4.07Å; C187-K193 CarbonylContact O-C 3.6Å; C187-K193 WeakPolarHBondContact O-CB 3.12Å; T190-K193 PolarHBondContact O-N 3.38Å; T190-K193 VanDerWaalsContact O-N 3.08Å; T190-K193 WeakPolarHBondContact OG1-CB 3.45Å; T190-K193 WeakPolarHBondContact OG1-CG 3.29Å; T190-K193 PolarHBondContact OG1-N 2.87Å; P191-K193 VanDerWaalsContact C-N 3.31Å; P191-K193 PolarHBondContact O-N 2.87Å; K193-R196 PolarHBondContact O-N 3.41Å; K193-A197 VanDerWaalsContact O-CB 3.25Å; K193-A197 WeakPolarHBondContact O-CB 3.16Å; K193-A197 PolarHBondContact O-N 3.21Å
194	V	93.9	Very high	92.8	Very high	59 Å²	59	52.8 Å²	52.8	36%	0.358	27%	0.271	S	S	.	.	H	α-helix	trans	-64.2	-40.7	173.4	175.7	0	0	0	0	111.8	C187 T190 P191 S198	C187-V194 WeakPolarHBondContact O-CG2 3.23Å; C187-V194 PolarHBondContact O-N 2.75Å; T190-V194 PolarHBondContact O-N 3.28Å; T190-V194 VanDerWaalsContact O-N 3.08Å; P191-V194 PolarHBondContact O-N 2.89Å; P191-V194 VanDerWaalsContact O-N 3.1Å; V194-S198 WeakPolarHBondContact O-CB 3.12Å; V194-S198 PolarHBondContact O-N 3.1Å; V194-S198 PolarHBondContact O-OG 3.27Å
195	E	94.1	Very high	93	Very high	130 Å²	130	52.8 Å²	52.8	61%	0.607	27%	0.271	S	S	*	.	H	α-helix	trans	-64	-47.9	175.1	-73	163.9	-178.8	0	0	111.5	P191 S198 K199	P191-E195 WeakPolarHBondContact O-CG 3.33Å; P191-E195 PolarHBondContact O-N 2.74Å; E195-S198 WeakPolarHBondContact O-CB 3.28Å; E195-S198 PolarHBondContact O-N 2.8Å; E195-K199 PolarHBondContact O-N 2.99Å
196	R	95.8	Very high	93.1	Very high	51 Å²	51	53.5 Å²	53.5	19%	0.192	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-44.6	176	-74.2	179	70.9	121.3	-20.4	112.5	L121 L124 D125 R192 K193 S198 K199 V200	L121-R196 HydrophobicContact CD2-CB 4.15Å; L121-R196 HydrophobicContact CG-CB 4.04Å; L121-R196 PolarHBondContact O-NE 2.82Å; L121-R196 PolarHBondContact O-NH2 2.84Å; L124-R196 HydrophobicContact CD1-CB 3.81Å; L124-R196 HydrophobicContact CD1-CG 4Å; L124-R196 WeakPolarHBondContact CD1-O 3.07Å; D125-R196 IonicContact OD1-CZ 2.68Å; D125-R196 IonicContact OD1-NH1 2.75Å; D125-R196 PolarHBondContact OD1-NH1 3Å; D125-R196 IonicContact OD1-NH2 3.46Å; D125-R196 PolarHBondContact OD1-NH2 2.96Å; D125-R196 VanDerWaalsContact OD1-NH2 3.14Å; D125-R196 IonicContact OD2-CZ 2.77Å; D125-R196 IonicContact OD2-NH1 3.56Å; D125-R196 IonicContact OD2-NH2 3.33Å; D125-R196 PolarHBondContact OD2-NH2 3.49Å; R192-R196 WeakPolarHBondContact O-CG 3.41Å; R192-R196 PolarHBondContact O-N 2.87Å; R192-R196 VanDerWaalsContact O-N 3.12Å; K193-R196 PolarHBondContact O-N 3.41Å; R196-S198 VanDerWaalsContact C-N 3.26Å; R196-S198 PolarHBondContact O-N 2.78Å; R196-K199 PolarHBondContact O-N 2.85Å; R196-V200 WeakPolarHBondContact O-CG2 3.39Å; R196-V200 PolarHBondContact O-N 3.19Å
197	A	96.5	Very high	93.3	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-58.8	-37.7	173.6	0	0	0	0	0	112.1	L121 A180 F184 C187 K193 M201	L121-A197 HydrophobicContact CD1-CB 4.15Å; A180-A197 HydrophobicContact CB-CB 4.48Å; F184-A197 HydrophobicContact CB-CB 3.91Å; F184-A197 HydrophobicContact CD1-CB 4.36Å; F184-A197 HydrophobicContact CD2-CB 4.09Å; F184-A197 HydrophobicContact CG-CB 3.88Å; C187-A197 HydrophobicContact CB-CB 3.98Å; K193-A197 VanDerWaalsContact O-CB 3.25Å; K193-A197 WeakPolarHBondContact O-CB 3.16Å; K193-A197 PolarHBondContact O-N 3.21Å; A197-M201 WeakPolarHBondContact O-CB 3.46Å; A197-M201 VanDerWaalsContact O-CG 3.31Å; A197-M201 WeakPolarHBondContact O-CG 3.37Å; A197-M201 PolarHBondContact O-N 3.16Å
198	S	96.3	Very high	93.8	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.063	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-40.6	173.3	-56.8	0	0	0	0	111.8	V194 E195 R196 M201 E202	V194-S198 WeakPolarHBondContact O-CB 3.12Å; V194-S198 PolarHBondContact O-N 3.1Å; V194-S198 PolarHBondContact O-OG 3.27Å; E195-S198 WeakPolarHBondContact O-CB 3.28Å; E195-S198 PolarHBondContact O-N 2.8Å; R196-S198 VanDerWaalsContact C-N 3.26Å; R196-S198 PolarHBondContact O-N 2.78Å; S198-M201 WeakPolarHBondContact O-CB 3.45Å; S198-M201 PolarHBondContact O-N 3.48Å; S198-E202 WeakPolarHBondContact O-CG 3.47Å; S198-E202 PolarHBondContact O-N 3.11Å
199	K	96.5	Very high	94.1	Very high	89 Å²	89	48 Å²	48	39%	0.387	24%	0.242	S	C	.	.	H	α-helix	trans	-68.8	-38.4	177	-167.1	71.6	-145	167.1	0	113	L124 E195 R196 M201 E202 Y203	L124-K199 HydrophobicContact CD1-CB 4.04Å; L124-K199 HydrophobicContact CD1-CG 4.39Å; L124-K199 HydrophobicContact CD2-CB 4.46Å; L124-K199 HydrophobicContact CD2-CG 4.11Å; E195-K199 PolarHBondContact O-N 2.99Å; R196-K199 PolarHBondContact O-N 2.85Å; K199-M201 VanDerWaalsContact C-N 3.34Å; K199-E202 WeakPolarHBondContact CD-OE2 3.46Å; K199-E202 WeakPolarHBondContact CE-OE2 3.41Å; K199-E202 IonicContact NZ-OE2 3.84Å; K199-E202 PolarHBondContact NZ-OE2 3.24Å; K199-E202 PolarHBondContact O-N 2.89Å; K199-Y203 HydrophobicContact CG-CD2 4.35Å; K199-Y203 HydrophobicContact CG-CE2 4.05Å; K199-Y203 VanDerWaalsContact O-CD2 3.29Å; K199-Y203 WeakPolarHBondContact O-CD2 3.45Å; K199-Y203 PolarHBondContact O-N 2.84Å
200	V	97.3	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-48	169.3	173.5	0	0	0	0	110.1	L120 L121 L124 F184 R196 E202 Y203 L204	L120-V200 HydrophobicContact CB-CG1 4.06Å; L120-V200 HydrophobicContact CD1-CG1 4.44Å; L120-V200 WeakPolarHBondContact O-CG2 3.29Å; L121-V200 HydrophobicContact CD1-CG2 4.32Å; L124-V200 HydrophobicContact CD1-CG2 3.84Å; L124-V200 HydrophobicContact CD2-CG2 4.06Å; L124-V200 HydrophobicContact CG-CG2 3.81Å; F184-V200 HydrophobicContact CE1-CG1 4.46Å; F184-V200 HydrophobicContact CE2-CG1 4.3Å; F184-V200 HydrophobicContact CZ-CB 4.27Å; F184-V200 HydrophobicContact CZ-CG1 3.66Å; R196-V200 WeakPolarHBondContact O-CG2 3.39Å; R196-V200 PolarHBondContact O-N 3.19Å; V200-E202 VanDerWaalsContact C-N 3.29Å; V200-E202 PolarHBondContact O-N 3.02Å; V200-Y203 PolarHBondContact O-N 3.31Å; V200-L204 HydrophobicContact CG1-CD1 3.75Å; V200-L204 HydrophobicContact CG1-CG 4.02Å; V200-L204 WeakPolarHBondContact O-CG 3.34Å; V200-L204 PolarHBondContact O-N 3.14Å
201	M	97.8	Very high	94.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-38	177.1	-76.7	-60.1	-61.9	0	0	112.7	F155 W158 A176 V179 A180 V183 F184 A197 S198 K199 I205	F155-M201 HydrophobicContact CD1-CE 4.47Å; F155-M201 HydrophobicContact CE1-CE 3.53Å; F155-M201 HydrophobicContact CE1-SD 3.76Å; F155-M201 HydrophobicContact CZ-CE 3.74Å; F155-M201 HydrophobicContact CZ-SD 3.54Å; F155-M201 VanDerWaalsContact CZ-SD 3.54Å; W158-M201 HydrophobicContact CD2-CE 4.44Å; W158-M201 HydrophobicContact CE3-CE 3.53Å; W158-M201 HydrophobicContact CH2-CE 3.98Å; W158-M201 HydrophobicContact CZ3-CE 3.27Å; A176-M201 HydrophobicContact CB-CB 3.69Å; V179-M201 HydrophobicContact CG2-CE 3.35Å; A180-M201 HydrophobicContact CB-CG 3.88Å; V183-M201 HydrophobicContact CB-SD 4.15Å; V183-M201 HydrophobicContact CG1-SD 4.11Å; V183-M201 HydrophobicContact CG2-CE 4.23Å; V183-M201 HydrophobicContact CG2-SD 4.12Å; F184-M201 HydrophobicContact CD2-CG 4.24Å; F184-M201 HydrophobicContact CD2-SD 4.31Å; F184-M201 HydrophobicContact CE2-CG 3.91Å; F184-M201 HydrophobicContact CE2-SD 3.75Å; A197-M201 WeakPolarHBondContact O-CB 3.46Å; A197-M201 VanDerWaalsContact O-CG 3.31Å; A197-M201 WeakPolarHBondContact O-CG 3.37Å; A197-M201 PolarHBondContact O-N 3.16Å; S198-M201 WeakPolarHBondContact O-CB 3.45Å; S198-M201 PolarHBondContact O-N 3.48Å; K199-M201 VanDerWaalsContact C-N 3.34Å; M201-I205 HydrophobicContact CE-CD1 3.96Å; M201-I205 HydrophobicContact CE-CG1 4.24Å; M201-I205 VanDerWaalsContact O-CB 3.28Å; M201-I205 WeakPolarHBondContact O-CB 3.42Å; M201-I205 WeakPolarHBondContact O-CD1 3.16Å; M201-I205 WeakPolarHBondContact O-CG1 3.23Å; M201-I205 PolarHBondContact O-N 2.87Å
202	E	96.7	Very high	94.3	Very high	21 Å²	21	38.6 Å²	38.6	10%	0.098	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-49.4	174.2	-72	166.8	-158.7	0	0	111.7	V172 A176 S198 K199 V200 I205 T206	V172-E202 HydrophobicContact CG2-CB 4.22Å; V172-E202 HydrophobicContact CG2-CG 4.14Å; A176-E202 HydrophobicContact CB-CG 3.71Å; S198-E202 WeakPolarHBondContact O-CG 3.47Å; S198-E202 PolarHBondContact O-N 3.11Å; K199-E202 WeakPolarHBondContact CD-OE2 3.46Å; K199-E202 WeakPolarHBondContact CE-OE2 3.41Å; K199-E202 IonicContact NZ-OE2 3.84Å; K199-E202 PolarHBondContact NZ-OE2 3.24Å; K199-E202 PolarHBondContact O-N 2.89Å; V200-E202 VanDerWaalsContact C-N 3.29Å; V200-E202 PolarHBondContact O-N 3.02Å; E202-I205 PolarHBondContact O-N 3.11Å; E202-T206 PolarHBondContact O-N 2.77Å; E202-T206 PolarHBondContact O-OG1 2.72Å
203	Y	95.5	Very high	94.4	Very high	77 Å²	77	30.4 Å²	30.4	30%	0.302	15%	0.154	S	C	.	.	H	α-helix	trans	-59.4	-50.6	176.1	-79	-66.3	0	0	0	112.2	L124 R132 M136 K199 V200 I205 T206 G207	L124-Y203 HydrophobicContact CD2-CD2 3.77Å; L124-Y203 HydrophobicContact CD2-CE2 3.75Å; R132-Y203 PolarHBondContact NH2-OH 3.44Å; M136-Y203 HydrophobicContact CE-CD2 4.07Å; M136-Y203 HydrophobicContact CE-CG 4.22Å; K199-Y203 HydrophobicContact CG-CD2 4.35Å; K199-Y203 HydrophobicContact CG-CE2 4.05Å; K199-Y203 VanDerWaalsContact O-CD2 3.29Å; K199-Y203 WeakPolarHBondContact O-CD2 3.45Å; K199-Y203 PolarHBondContact O-N 2.84Å; V200-Y203 PolarHBondContact O-N 3.31Å; Y203-I205 VanDerWaalsContact C-N 3.35Å; Y203-I205 PolarHBondContact O-N 3.45Å; Y203-T206 PolarHBondContact O-N 2.95Å; Y203-T206 PolarHBondContact O-OG1 3.08Å; Y203-G207 PolarHBondContact O-N 2.85Å
204	L	97.3	Very high	94.5	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-65.6	-34	-178.1	-66	-173.8	0	0	0	113	L120 M136 I140 F155 V200 F208 L213 F214	L120-L204 HydrophobicContact CD1-CD1 4.23Å; M136-L204 HydrophobicContact CB-CD2 4.15Å; M136-L204 HydrophobicContact CG-CD2 4.39Å; M136-L204 HydrophobicContact SD-CD2 3.81Å; M136-L204 HydrophobicContact SD-CG 4.44Å; I140-L204 HydrophobicContact CD1-CD2 3.95Å; F155-L204 HydrophobicContact CD1-CB 3.87Å; F155-L204 HydrophobicContact CE1-CB 3.27Å; F155-L204 HydrophobicContact CE1-CD1 4.18Å; F155-L204 HydrophobicContact CE1-CG 4.38Å; F155-L204 HydrophobicContact CE2-CD1 4.4Å; F155-L204 HydrophobicContact CZ-CB 3.72Å; F155-L204 HydrophobicContact CZ-CD1 3.72Å; F155-L204 HydrophobicContact CZ-CG 4.4Å; V200-L204 HydrophobicContact CG1-CD1 3.75Å; V200-L204 HydrophobicContact CG1-CG 4.02Å; V200-L204 WeakPolarHBondContact O-CG 3.34Å; V200-L204 PolarHBondContact O-N 3.14Å; L204-F208 PolarHBondContact O-N 2.64Å; L204-L213 HydrophobicContact CD2-CD1 4.02Å; L204-L213 HydrophobicContact CD2-CD2 4Å; L204-L213 HydrophobicContact CD2-CG 4.26Å; L204-F214 HydrophobicContact CB-CE2 4.4Å; L204-F214 HydrophobicContact CD2-CE2 4.36Å; L204-F214 WeakPolarHBondContact O-CE2 3.48Å
205	I	96.5	Very high	94.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69.1	-53	173.2	-67.8	165.9	0	0	0	110.1	F155 W158 F159 I162 V172 V175 A176 M201 E202 Y203 G207 F208	F155-I205 HydrophobicContact CD1-CG1 3.76Å; F155-I205 HydrophobicContact CE1-CG1 3.92Å; W158-I205 HydrophobicContact CB-CD1 3.96Å; W158-I205 HydrophobicContact CB-CG1 3.86Å; W158-I205 HydrophobicContact CB-CG2 4.09Å; W158-I205 HydrophobicContact CE3-CD1 4.41Å; W158-I205 HydrophobicContact CE3-CG1 4.22Å; W158-I205 HydrophobicContact CG-CD1 4.44Å; F159-I205 VanDerWaalsContact CD2-O 3.27Å; F159-I205 WeakPolarHBondContact CD2-O 3.38Å; I162-I205 HydrophobicContact CD1-CG2 3.86Å; I162-I205 HydrophobicContact CG1-CG2 4.09Å; I162-I205 HydrophobicContact CG2-CG2 4.06Å; V172-I205 HydrophobicContact CG2-CB 4.31Å; V172-I205 HydrophobicContact CG2-CG2 4.2Å; V175-I205 HydrophobicContact CB-CD1 4.46Å; V175-I205 HydrophobicContact CG1-CD1 3.99Å; A176-I205 HydrophobicContact CB-CD1 4.28Å; M201-I205 HydrophobicContact CE-CD1 3.96Å; M201-I205 HydrophobicContact CE-CG1 4.24Å; M201-I205 VanDerWaalsContact O-CB 3.28Å; M201-I205 WeakPolarHBondContact O-CB 3.42Å; M201-I205 WeakPolarHBondContact O-CD1 3.16Å; M201-I205 WeakPolarHBondContact O-CG1 3.23Å; M201-I205 PolarHBondContact O-N 2.87Å; E202-I205 PolarHBondContact O-N 3.11Å; Y203-I205 VanDerWaalsContact C-N 3.35Å; Y203-I205 PolarHBondContact O-N 3.45Å; I205-G207 VanDerWaalsContact C-N 3.31Å; I205-G207 PolarHBondContact O-N 2.91Å; I205-F208 WeakPolarHBondContact O-CB 3.34Å; I205-F208 PolarHBondContact O-N 3.31Å
206	T	93.2	Very high	94.4	Very high	47 Å²	47	27.7 Å²	27.7	29%	0.288	13%	0.134	S	C	.	.	H	α-helix	trans	-65.6	-34.2	-177.5	49.9	0	0	0	0	113.4	I162 V172 E202 Y203 F208 I288	I162-T206 HydrophobicContact CD1-CG2 3.89Å; V172-T206 HydrophobicContact CG2-CG2 3.93Å; E202-T206 PolarHBondContact O-N 2.77Å; E202-T206 PolarHBondContact O-OG1 2.72Å; Y203-T206 PolarHBondContact O-N 2.95Å; Y203-T206 PolarHBondContact O-OG1 3.08Å; T206-F208 VanDerWaalsContact C-N 3.32Å; T206-I288 HydrophobicContact CG2-CD1 4.32Å
207	G	92.5	Very high	94.3	Very high	12 Å²	12	30.3 Å²	30.3	12%	0.124	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	0.9	180	0	0	0	0	0	114.4	Y203 I205 A209 S210	Y203-G207 PolarHBondContact O-N 2.85Å; I205-G207 VanDerWaalsContact C-N 3.31Å; I205-G207 PolarHBondContact O-N 2.91Å; G207-A209 VanDerWaalsContact C-N 3.3Å; G207-A209 PolarHBondContact O-N 3.25Å; G207-S210 WeakPolarHBondContact O-CA 3.41Å; G207-S210 WeakPolarHBondContact O-CB 3.3Å; G207-S210 PolarHBondContact O-N 2.86Å
208	F	94.7	Very high	94.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-42.8	-173.1	175.4	-105	0	0	0	113.9	A152 F155 F159 L204 I205 T206 S210 F214 I219 F222 I230	A152-F208 HydrophobicContact CB-CE2 4.46Å; A152-F208 WeakPolarHBondContact O-CZ 3.46Å; F155-F208 HydrophobicContact CB-CB 4.39Å; F155-F208 HydrophobicContact CB-CD2 3.53Å; F155-F208 HydrophobicContact CB-CE2 4.17Å; F155-F208 HydrophobicContact CB-CG 4.12Å; F159-F208 HydrophobicContact CB-CB 3.85Å; F159-F208 HydrophobicContact CB-CD1 3.94Å; F159-F208 HydrophobicContact CB-CG 4.17Å; F159-F208 AromaticContact CD1-CD1 3.88Å; F159-F208 HydrophobicContact CD1-CD1 3.88Å; F159-F208 HydrophobicContact CD2-CB 4.05Å; F159-F208 HydrophobicContact CG-CB 3.95Å; F159-F208 AromaticContact CG-CD1 3.97Å; F159-F208 HydrophobicContact CG-CD1 3.97Å; F159-F208 HydrophobicContact CG-CG 4.4Å; L204-F208 PolarHBondContact O-N 2.64Å; I205-F208 WeakPolarHBondContact O-CB 3.34Å; I205-F208 PolarHBondContact O-N 3.31Å; T206-F208 VanDerWaalsContact C-N 3.32Å; F208-S210 PolarHBondContact O-N 3.49Å; F208-F214 HydrophobicContact CB-CD2 4.47Å; F208-F214 HydrophobicContact CD2-CB 4.34Å; F208-F214 AromaticContact CD2-CD1 3.68Å; F208-F214 HydrophobicContact CD2-CD1 3.68Å; F208-F214 AromaticContact CD2-CD2 3.88Å; F208-F214 HydrophobicContact CD2-CD2 3.88Å; F208-F214 AromaticContact CD2-CE1 3.89Å; F208-F214 HydrophobicContact CD2-CE1 3.89Å; F208-F214 HydrophobicContact CD2-CE2 4.08Å; F208-F214 AromaticContact CD2-CG 3.68Å; F208-F214 HydrophobicContact CD2-CG 3.68Å; F208-F214 HydrophobicContact CD2-CZ 4.09Å; F208-F214 HydrophobicContact CE2-CB 4.42Å; F208-F214 AromaticContact CE2-CD1 3.73Å; F208-F214 HydrophobicContact CE2-CD1 3.73Å; F208-F214 HydrophobicContact CE2-CE1 4.15Å; F208-F214 HydrophobicContact CE2-CG 4.01Å; F208-I219 WeakPolarHBondContact O-CG1 3.27Å; F208-F222 HydrophobicContact CE1-CB 4.39Å; F208-F222 HydrophobicContact CE1-CD1 4.08Å; F208-F222 HydrophobicContact CE1-CG 4.14Å; F208-F222 HydrophobicContact CZ-CB 3.88Å; F208-F222 HydrophobicContact CZ-CD1 4.4Å; F208-F222 HydrophobicContact CZ-CG 4Å; F208-I230 HydrophobicContact CD1-CD1 4.11Å; F208-I230 HydrophobicContact CE1-CD1 3.71Å
209	A	90.7	Very high	94.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-3.3	178.6	0	0	0	0	0	114.2	F159 G207 A211 I219 I230 R232	F159-A209 HydrophobicContact CE1-CB 3.7Å; F159-A209 HydrophobicContact CE2-CB 4.02Å; F159-A209 HydrophobicContact CZ-CB 3.31Å; G207-A209 VanDerWaalsContact C-N 3.3Å; G207-A209 PolarHBondContact O-N 3.25Å; A209-A211 PolarHBondContact O-N 3.4Å; A209-I219 WeakPolarHBondContact O-CD1 3.45Å; A209-I230 HydrophobicContact CB-CG2 3.71Å; A209-R232 HydrophobicContact CB-CB 4.08Å; A209-R232 HydrophobicContact CB-CG 4.36Å; A209-R232 WeakPolarHBondContact O-CD 3.48Å
210	S	90.8	Very high	94.1	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.028	14%	0.14	C	C	.	.			trans	-76.4	121.1	177.2	-156.6	0	0	0	0	110	G207 F208 D212 L213 F214 R232	G207-S210 WeakPolarHBondContact O-CA 3.41Å; G207-S210 WeakPolarHBondContact O-CB 3.3Å; G207-S210 PolarHBondContact O-N 2.86Å; F208-S210 PolarHBondContact O-N 3.49Å; S210-D212 PolarHBondContact O-N 3.16Å; S210-L213 PolarHBondContact O-N 3.26Å; S210-F214 PolarHBondContact O-N 3.33Å; S210-F214 VanDerWaalsContact O-N 3.09Å; S210-R232 PolarHBondContact OG-NH2 3.48Å
211	A	89.8	Confident	94	Very high	29 Å²	29	30.1 Å²	30.1	24%	0.24	15%	0.147	C	C	.	.	H	α-helix	trans	-56.8	-37.9	172.3	0	0	0	0	0	110.9	A209 L213 S215	A209-A211 PolarHBondContact O-N 3.4Å; A211-L213 PolarHBondContact O-N 3.37Å; A211-L213 VanDerWaalsContact O-N 3.12Å; A211-S215 WeakPolarHBondContact O-CA 3.37Å; A211-S215 PolarHBondContact O-N 2.84Å
212	D	90.5	Very high	93.9	Very high	41 Å²	41	30.1 Å²	30.1	22%	0.219	15%	0.147	C	C	.	.	H	α-helix	trans	-58.5	-20	175.9	-52.1	-6.8	0	0	0	114.4	I133 H137 S210 K381	I133-D212 HydrophobicContact CG2-CB 3.79Å; I133-D212 WeakPolarHBondContact CG2-O 3.49Å; H137-D212 WeakPolarHBondContact CB-O 3.25Å; H137-D212 PolarHBondContact CD2-O 2.95Å; H137-D212 VanDerWaalsContact CD2-O 3.3Å; S210-D212 PolarHBondContact O-N 3.16Å; D212-K381 IonicContact OD2-NZ 2.69Å; D212-K381 PolarHBondContact OD2-NZ 3.41Å
213	L	94	Very high	93.8	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-113.4	-46.6	-174.6	-172.6	63.2	0	0	0	113.6	I133 M136 H137 I140 L204 S210 A211	I133-L213 HydrophobicContact CG2-CB 4.16Å; I133-L213 HydrophobicContact CG2-CD1 4.22Å; M136-L213 HydrophobicContact CB-CD1 3.51Å; M136-L213 HydrophobicContact SD-CD1 4.45Å; H137-L213 PolarHBondContact CD2-O 2.96Å; I140-L213 HydrophobicContact CD1-CD1 4.46Å; I140-L213 HydrophobicContact CD1-CG 4.47Å; L204-L213 HydrophobicContact CD2-CD1 4.02Å; L204-L213 HydrophobicContact CD2-CD2 4Å; L204-L213 HydrophobicContact CD2-CG 4.26Å; S210-L213 PolarHBondContact O-N 3.26Å; A211-L213 PolarHBondContact O-N 3.37Å; A211-L213 VanDerWaalsContact O-N 3.12Å
214	F	94.4	Very high	93.7	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-106.5	-3.5	-178.4	-88.2	-97.5	0	0	0	113.9	I140 L151 F155 L204 F208 S210 L218 I219	I140-F214 HydrophobicContact CD1-CD1 4.47Å; I140-F214 HydrophobicContact CD1-CD2 4.2Å; I140-F214 HydrophobicContact CD1-CE1 4.16Å; I140-F214 HydrophobicContact CD1-CE2 3.88Å; I140-F214 HydrophobicContact CD1-CG 4.49Å; I140-F214 HydrophobicContact CD1-CZ 3.85Å; I140-F214 HydrophobicContact CG2-CD1 4.49Å; L151-F214 HydrophobicContact CB-CE1 4.5Å; F155-F214 HydrophobicContact CB-CE1 3.99Å; F155-F214 HydrophobicContact CB-CE2 4.5Å; F155-F214 HydrophobicContact CB-CZ 3.75Å; F155-F214 HydrophobicContact CD1-CZ 4.14Å; F155-F214 AromaticContact CD2-CE1 3.89Å; F155-F214 HydrophobicContact CD2-CE1 3.89Å; F155-F214 AromaticContact CD2-CZ 3.58Å; F155-F214 HydrophobicContact CD2-CZ 3.58Å; F155-F214 HydrophobicContact CE2-CZ 4.2Å; F155-F214 HydrophobicContact CG-CE1 4.08Å; F155-F214 HydrophobicContact CG-CE2 4.43Å; F155-F214 AromaticContact CG-CZ 3.54Å; F155-F214 HydrophobicContact CG-CZ 3.54Å; L204-F214 HydrophobicContact CB-CE2 4.4Å; L204-F214 HydrophobicContact CD2-CE2 4.36Å; L204-F214 WeakPolarHBondContact O-CE2 3.48Å; F208-F214 HydrophobicContact CB-CD2 4.47Å; F208-F214 HydrophobicContact CD2-CB 4.34Å; F208-F214 AromaticContact CD2-CD1 3.68Å; F208-F214 HydrophobicContact CD2-CD1 3.68Å; F208-F214 AromaticContact CD2-CD2 3.88Å; F208-F214 HydrophobicContact CD2-CD2 3.88Å; F208-F214 AromaticContact CD2-CE1 3.89Å; F208-F214 HydrophobicContact CD2-CE1 3.89Å; F208-F214 HydrophobicContact CD2-CE2 4.08Å; F208-F214 AromaticContact CD2-CG 3.68Å; F208-F214 HydrophobicContact CD2-CG 3.68Å; F208-F214 HydrophobicContact CD2-CZ 4.09Å; F208-F214 HydrophobicContact CE2-CB 4.42Å; F208-F214 AromaticContact CE2-CD1 3.73Å; F208-F214 HydrophobicContact CE2-CD1 3.73Å; F208-F214 HydrophobicContact CE2-CE1 4.15Å; F208-F214 HydrophobicContact CE2-CG 4.01Å; S210-F214 PolarHBondContact O-N 3.33Å; S210-F214 VanDerWaalsContact O-N 3.09Å; F214-L218 HydrophobicContact CD1-CD1 4.28Å; F214-L218 VanDerWaalsContact O-CB 3.25Å; F214-L218 WeakPolarHBondContact O-CB 3.32Å; F214-L218 VanDerWaalsContact O-CD1 3.26Å; F214-L218 WeakPolarHBondContact O-CD1 3.21Å; F214-L218 WeakPolarHBondContact O-CG 3.26Å; F214-I219 HydrophobicContact CB-CG1 4.37Å
215	S	93.5	Very high	93.6	Very high	32 Å²	32	33.7 Å²	33.7	22%	0.224	17%	0.17	C	C	.	.	H	α-helix	trans	63.5	144.2	-166.3	-50.9	0	0	0	0	113.8	H137 A211 E217 L218 I219	H137-S215 PolarHBondContact NE2-OG 3.17Å; A211-S215 WeakPolarHBondContact O-CA 3.37Å; A211-S215 PolarHBondContact O-N 2.84Å; S215-E217 PolarHBondContact O-N 3.29Å; S215-E217 VanDerWaalsContact O-N 3.16Å; S215-L218 PolarHBondContact O-N 3.29Å; S215-I219 PolarHBondContact O-N 3.18Å
216	R	92	Very high	93.4	Very high	158 Å²	158	33.7 Å²	33.7	60%	0.596	17%	0.17	S	C	*	.	H	α-helix	trans	-48.2	-43.1	173.8	171.3	168.2	-177.8	155.8	11	112.6	L218 I219 E220 Y692	R216-L218 PolarHBondContact O-N 2.91Å; R216-I219 PolarHBondContact O-N 3.11Å; R216-E220 HydrophobicContact CG-CG 4.25Å; R216-E220 IonicContact CZ-OE1 2.72Å; R216-E220 VanDerWaalsContact CZ-OE1 3.22Å; R216-E220 IonicContact NE-OE1 2.98Å; R216-E220 PolarHBondContact NE-OE1 2.9Å; R216-E220 IonicContact NE-OE2 2.69Å; R216-E220 IonicContact NH2-OE1 2.7Å; R216-E220 PolarHBondContact NH2-OE1 2.89Å; R216-E220 WeakPolarHBondContact O-CB 3.37Å; R216-E220 WeakPolarHBondContact O-CG 3.21Å; R216-E220 PolarHBondContact O-N 2.85Å; R216-Y692 HydrophobicContact CG-CE1 4.19Å
217	E	94	Very high	93.5	Very high	106 Å²	106	38 Å²	38	50%	0.495	18%	0.184	S	C	.	.	H	α-helix	trans	-63.6	-34.8	-175.1	-158.9	-156.5	-177.7	0	0	113.8	R145 S215 Y221	R145-E217 IonicContact CZ-OE1 3.22Å; R145-E217 IonicContact CZ-OE2 2.8Å; R145-E217 IonicContact NH1-OE1 2.79Å; R145-E217 IonicContact NH1-OE2 2.76Å; R145-E217 PolarHBondContact NH1-OE2 2.66Å; R145-E217 IonicContact NH2-OE1 2.66Å; R145-E217 PolarHBondContact NH2-OE1 3.31Å; R145-E217 IonicContact NH2-OE2 2.67Å; R145-E217 PolarHBondContact NH2-OE2 3.42Å; S215-E217 PolarHBondContact O-N 3.29Å; S215-E217 VanDerWaalsContact O-N 3.16Å; E217-Y221 VanDerWaalsContact O-CB 3.31Å; E217-Y221 WeakPolarHBondContact O-CB 3.34Å; E217-Y221 PolarHBondContact O-N 3.05Å
218	L	95.7	Very high	93.3	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	18%	0.178	C	C	.	.	H	α-helix	trans	-77.7	-31.8	178.2	-60.2	-170.2	0	0	0	112.1	I140 Q148 A152 F214 S215 R216 Y221 F222	I140-L218 HydrophobicContact CG2-CD1 4.08Å; Q148-L218 HydrophobicContact CB-CD1 4.01Å; Q148-L218 HydrophobicContact CB-CD2 3.95Å; A152-L218 HydrophobicContact CB-CB 3.94Å; F214-L218 HydrophobicContact CD1-CD1 4.28Å; F214-L218 VanDerWaalsContact O-CB 3.25Å; F214-L218 WeakPolarHBondContact O-CB 3.32Å; F214-L218 VanDerWaalsContact O-CD1 3.26Å; F214-L218 WeakPolarHBondContact O-CD1 3.21Å; F214-L218 WeakPolarHBondContact O-CG 3.26Å; S215-L218 PolarHBondContact O-N 3.29Å; R216-L218 PolarHBondContact O-N 2.91Å; L218-Y221 PolarHBondContact O-N 3.02Å; L218-F222 WeakPolarHBondContact O-CB 3.37Å; L218-F222 PolarHBondContact O-N 2.91Å
219	I	94.5	Very high	93	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.5	-40.3	174.5	-53.5	161.2	0	0	0	109.8	F208 A209 F214 S215 R216 F222 T223 I230 Y692	F208-I219 WeakPolarHBondContact O-CG1 3.27Å; A209-I219 WeakPolarHBondContact O-CD1 3.45Å; F214-I219 HydrophobicContact CB-CG1 4.37Å; S215-I219 PolarHBondContact O-N 3.18Å; R216-I219 PolarHBondContact O-N 3.11Å; I219-F222 PolarHBondContact O-N 3.27Å; I219-T223 WeakPolarHBondContact O-CG2 3.37Å; I219-T223 PolarHBondContact O-N 3.08Å; I219-T223 PolarHBondContact O-OG1 3.28Å; I219-I230 HydrophobicContact CG2-CD1 4.45Å; I219-Y692 HydrophobicContact CB-CD1 4.17Å; I219-Y692 HydrophobicContact CB-CE1 4.42Å; I219-Y692 HydrophobicContact CB-CG 4.37Å; I219-Y692 HydrophobicContact CD1-CE1 4.38Å; I219-Y692 HydrophobicContact CG2-CD1 3.8Å; I219-Y692 HydrophobicContact CG2-CD2 3.74Å; I219-Y692 HydrophobicContact CG2-CE1 4.3Å; I219-Y692 HydrophobicContact CG2-CE2 4.24Å; I219-Y692 HydrophobicContact CG2-CG 3.49Å; I219-Y692 VanDerWaalsContact CG2-CG 3.49Å
220	E	94	Very high	92.9	Very high	57 Å²	57	37.6 Å²	37.6	27%	0.266	18%	0.18	S	C	.	.	H	α-helix	trans	-65.1	-44.1	171.3	-73.3	177.4	159.3	0	0	111.5	R216 F222 T223 L224 Y692	R216-E220 HydrophobicContact CG-CG 4.25Å; R216-E220 IonicContact CZ-OE1 2.72Å; R216-E220 VanDerWaalsContact CZ-OE1 3.22Å; R216-E220 IonicContact NE-OE1 2.98Å; R216-E220 PolarHBondContact NE-OE1 2.9Å; R216-E220 IonicContact NE-OE2 2.69Å; R216-E220 IonicContact NH2-OE1 2.7Å; R216-E220 PolarHBondContact NH2-OE1 2.89Å; R216-E220 WeakPolarHBondContact O-CB 3.37Å; R216-E220 WeakPolarHBondContact O-CG 3.21Å; R216-E220 PolarHBondContact O-N 2.85Å; E220-F222 PolarHBondContact O-N 2.91Å; E220-T223 WeakPolarHBondContact CA-OG1 3.41Å; E220-T223 PolarHBondContact O-N 3.04Å; E220-T223 PolarHBondContact O-OG1 3.21Å; E220-T223 VanDerWaalsContact O-OG1 3.12Å; E220-L224 VanDerWaalsContact O-CB 3.27Å; E220-L224 WeakPolarHBondContact O-CB 3.22Å; E220-L224 WeakPolarHBondContact O-CD1 3.3Å; E220-L224 WeakPolarHBondContact O-CG 3.25Å; E220-L224 PolarHBondContact O-N 3.13Å; E220-Y692 HydrophobicContact CG-CD1 4.15Å
221	Y	95.1	Very high	92.4	Very high	36 Å²	36	37.5 Å²	37.5	14%	0.141	18%	0.179	C	C	.	.	H	α-helix	trans	-56.1	-47.1	172.8	174.6	-99.5	0	0	0	112.3	R47 Q149 A152 L153 E217 L218 E225	R47-Y221 WeakPolarHBondContact CD-OH 3.28Å; Q149-Y221 HydrophobicContact CB-CD1 4.14Å; Q149-Y221 HydrophobicContact CB-CE1 3.5Å; Q149-Y221 VanDerWaalsContact CB-CE1 3.5Å; Q149-Y221 HydrophobicContact CB-CE2 4.48Å; Q149-Y221 HydrophobicContact CG-CD1 4.02Å; Q149-Y221 HydrophobicContact CG-CD2 4.24Å; Q149-Y221 HydrophobicContact CG-CE1 3.7Å; Q149-Y221 HydrophobicContact CG-CE2 3.94Å; Q149-Y221 HydrophobicContact CG-CG 4.29Å; A152-Y221 HydrophobicContact CB-CD1 4.14Å; L153-Y221 HydrophobicContact CD1-CE1 4.22Å; L153-Y221 HydrophobicContact CG-CE1 4.06Å; E217-Y221 VanDerWaalsContact O-CB 3.31Å; E217-Y221 WeakPolarHBondContact O-CB 3.34Å; E217-Y221 PolarHBondContact O-N 3.05Å; L218-Y221 PolarHBondContact O-N 3.02Å; Y221-E225 WeakPolarHBondContact O-CB 3.31Å; Y221-E225 PolarHBondContact O-N 3.29Å
222	F	96	Very high	92.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.7	-51.2	176.5	174	-98.2	0	0	0	112.1	A54 A152 L153 G156 R160 F208 L218 I219 E220 T226 I230	A54-F222 HydrophobicContact CB-CE2 4.39Å; A54-F222 HydrophobicContact CB-CZ 4.37Å; A152-F222 VanDerWaalsContact O-CD2 3.3Å; A152-F222 WeakPolarHBondContact O-CD2 3.36Å; L153-F222 HydrophobicContact CD2-CD2 4.19Å; G156-F222 VanDerWaalsContact C-CE2 3.42Å; G156-F222 VanDerWaalsContact CA-CE2 3.45Å; G156-F222 WeakPolarHBondContact O-CZ 3.35Å; R160-F222 HydrophobicContact CG-CE1 4.35Å; R160-F222 HydrophobicContact CG-CZ 4.27Å; F208-F222 HydrophobicContact CE1-CB 4.39Å; F208-F222 HydrophobicContact CE1-CD1 4.08Å; F208-F222 HydrophobicContact CE1-CG 4.14Å; F208-F222 HydrophobicContact CZ-CB 3.88Å; F208-F222 HydrophobicContact CZ-CD1 4.4Å; F208-F222 HydrophobicContact CZ-CG 4Å; L218-F222 WeakPolarHBondContact O-CB 3.37Å; L218-F222 PolarHBondContact O-N 2.91Å; I219-F222 PolarHBondContact O-N 3.27Å; E220-F222 PolarHBondContact O-N 2.91Å; F222-T226 HydrophobicContact CD2-CG2 3.87Å; F222-T226 HydrophobicContact CE1-CG2 4.45Å; F222-T226 HydrophobicContact CE2-CG2 3.55Å; F222-T226 HydrophobicContact CG-CG2 4.46Å; F222-T226 HydrophobicContact CZ-CG2 3.87Å; F222-T226 VanDerWaalsContact O-CB 3.28Å; F222-T226 WeakPolarHBondContact O-CB 3.48Å; F222-T226 VanDerWaalsContact O-CG2 3.27Å; F222-T226 WeakPolarHBondContact O-CG2 3.29Å; F222-T226 PolarHBondContact O-N 3.48Å; F222-T226 PolarHBondContact O-OG1 3.43Å; F222-I230 HydrophobicContact CD1-CD1 3.73Å; F222-I230 HydrophobicContact CE1-CD1 3.78Å; F222-I230 HydrophobicContact CE1-CG1 4.46Å
223	T	94.9	Very high	91.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-68.8	-35.7	-175.6	49.6	0	0	0	0	112.3	I219 E220 K227 T228 I230 G693	I219-T223 WeakPolarHBondContact O-CG2 3.37Å; I219-T223 PolarHBondContact O-N 3.08Å; I219-T223 PolarHBondContact O-OG1 3.28Å; E220-T223 WeakPolarHBondContact CA-OG1 3.41Å; E220-T223 PolarHBondContact O-N 3.04Å; E220-T223 PolarHBondContact O-OG1 3.21Å; E220-T223 VanDerWaalsContact O-OG1 3.12Å; T223-K227 WeakPolarHBondContact O-CA 3.42Å; T223-K227 PolarHBondContact O-N 3.3Å; T223-T228 VanDerWaalsContact CA-O 3.32Å; T223-T228 WeakPolarHBondContact CA-O 3.45Å; T223-T228 WeakPolarHBondContact CB-O 3.49Å; T223-T228 WeakPolarHBondContact CG2-O 3.28Å; T223-T228 PolarHBondContact O-N 3.34Å; T223-I230 HydrophobicContact CG2-CB 4.27Å; T223-I230 HydrophobicContact CG2-CD1 4.25Å; T223-I230 HydrophobicContact CG2-CG1 4.15Å; T223-G693 PolarHBondContact OG1-N 2.88Å
224	L	94.3	Very high	91.1	Very high	119 Å²	119	35.8 Å²	35.8	62%	0.623	17%	0.165	S	C	*	.	H	α-helix	trans	-66.7	-52.4	174	-71.7	169.1	0	0	0	112.9	E220 K227	E220-L224 VanDerWaalsContact O-CB 3.27Å; E220-L224 WeakPolarHBondContact O-CB 3.22Å; E220-L224 WeakPolarHBondContact O-CD1 3.3Å; E220-L224 WeakPolarHBondContact O-CG 3.25Å; E220-L224 PolarHBondContact O-N 3.13Å; L224-K227 WeakPolarHBondContact O-CG 3.41Å; L224-K227 PolarHBondContact O-N 3.05Å
225	E	94	Very high	90.7	Very high	58 Å²	58	35.8 Å²	35.8	27%	0.271	17%	0.165	S	C	.	.	H	α-helix	trans	-68.8	-41.9	-176.6	-175.3	66.2	-147.4	0	0	111	R47 V51 R55 L153 Y221 K227	R47-E225 HydrophobicContact CG-CG 4.19Å; R47-E225 IonicContact CZ-OE1 2.63Å; R47-E225 IonicContact NE-OE1 2.67Å; R47-E225 PolarHBondContact NE-OE1 3.47Å; R47-E225 IonicContact NE-OE2 3.81Å; R47-E225 IonicContact NH2-OE1 3.58Å; R47-E225 PolarHBondContact NH2-OE1 3.47Å; V51-E225 HydrophobicContact CG2-CG 3.66Å; R55-E225 PolarHBondContact NH2-O 3.34Å; L153-E225 HydrophobicContact CD2-CG 4.36Å; Y221-E225 WeakPolarHBondContact O-CB 3.31Å; Y221-E225 PolarHBondContact O-N 3.29Å; E225-K227 VanDerWaalsContact C-N 3.33Å
226	T	94.1	Very high	90.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-74.8	-19.6	174.4	66.7	0	0	0	0	113.3	V51 A54 R55 L153 F222 T228	V51-T226 HydrophobicContact CG2-CG2 4.42Å; A54-T226 HydrophobicContact CB-CG2 3.51Å; R55-T226 PolarHBondContact NE-O 3.01Å; R55-T226 PolarHBondContact NH2-O 2.81Å; L153-T226 HydrophobicContact CD2-CG2 4.07Å; F222-T226 HydrophobicContact CD2-CG2 3.87Å; F222-T226 HydrophobicContact CE1-CG2 4.45Å; F222-T226 HydrophobicContact CE2-CG2 3.55Å; F222-T226 HydrophobicContact CG-CG2 4.46Å; F222-T226 HydrophobicContact CZ-CG2 3.87Å; F222-T226 VanDerWaalsContact O-CB 3.28Å; F222-T226 WeakPolarHBondContact O-CB 3.48Å; F222-T226 VanDerWaalsContact O-CG2 3.27Å; F222-T226 WeakPolarHBondContact O-CG2 3.29Å; F222-T226 PolarHBondContact O-N 3.48Å; F222-T226 PolarHBondContact O-OG1 3.43Å; T226-T228 PolarHBondContact O-N 3.09Å; T226-T228 PolarHBondContact OG1-N 3.29Å; T226-T228 PolarHBondContact OG1-OG1 3.03Å
227	K	93.3	Very high	90.1	Very high	136 Å²	136	28.6 Å²	28.6	59%	0.591	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	45.5	-170.7	-56.1	-174.8	-179.4	-169.7	0	111.4	T223 L224 E225 I390	T223-K227 WeakPolarHBondContact O-CA 3.42Å; T223-K227 PolarHBondContact O-N 3.3Å; L224-K227 WeakPolarHBondContact O-CG 3.41Å; L224-K227 PolarHBondContact O-N 3.05Å; E225-K227 VanDerWaalsContact C-N 3.33Å; K227-I390 WeakPolarHBondContact O-CD1 3.41Å; K227-I390 WeakPolarHBondContact O-CG1 3.38Å
228	T	90.2	Very high	89.7	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	163.9	172.7	73.5	0	0	0	0	108.6	R55 R160 T223 T226	R55-T228 HydrophobicContact CG-CG2 4.3Å; R160-T228 VanDerWaalsContact NH1-CB 3.25Å; R160-T228 PolarHBondContact NH1-OG1 2.96Å; T223-T228 VanDerWaalsContact CA-O 3.32Å; T223-T228 WeakPolarHBondContact CA-O 3.45Å; T223-T228 WeakPolarHBondContact CB-O 3.49Å; T223-T228 WeakPolarHBondContact CG2-O 3.28Å; T223-T228 PolarHBondContact O-N 3.34Å; T226-T228 PolarHBondContact O-N 3.09Å; T226-T228 PolarHBondContact OG1-N 3.29Å; T226-T228 PolarHBondContact OG1-OG1 3.03Å
229	S	87.5	Confident	89.1	Confident	4 Å²	4	25.7 Å²	25.7	3%	0.028	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	155.8	178.1	54.7	0	0	0	0	113.3	R160 T387 T388 Y691 Y692	R160-S229 PolarHBondContact NH1-O 3.25Å; S229-T387 WeakPolarHBondContact O-CA 3.28Å; S229-T387 WeakPolarHBondContact O-CB 3.47Å; S229-T388 PolarHBondContact N-O 3.4Å; S229-T388 PolarHBondContact O-N 2.98Å; S229-T388 PolarHBondContact OG-OG1 2.74Å; S229-Y691 WeakPolarHBondContact CB-OH 3.23Å; S229-Y691 PolarHBondContact OG-OH 3.31Å; S229-Y691 VanDerWaalsContact OG-OH 3.08Å; S229-Y692 WeakPolarHBondContact CA-O 3.31Å
230	I	87.7	Confident	88.4	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	116.7	169.4	-68.3	172.4	0	0	0	107.2	F159 F208 A209 I219 F222 T223 T387 Y692	F159-I230 HydrophobicContact CD1-CD1 3.95Å; F159-I230 HydrophobicContact CD1-CG1 4.48Å; F159-I230 HydrophobicContact CE1-CD1 3.96Å; F159-I230 HydrophobicContact CE1-CG1 4.19Å; F159-I230 HydrophobicContact CE1-CG2 3.75Å; F159-I230 HydrophobicContact CZ-CG2 4.38Å; F208-I230 HydrophobicContact CD1-CD1 4.11Å; F208-I230 HydrophobicContact CE1-CD1 3.71Å; A209-I230 HydrophobicContact CB-CG2 3.71Å; I219-I230 HydrophobicContact CG2-CD1 4.45Å; F222-I230 HydrophobicContact CD1-CD1 3.73Å; F222-I230 HydrophobicContact CE1-CD1 3.78Å; F222-I230 HydrophobicContact CE1-CG1 4.46Å; T223-I230 HydrophobicContact CG2-CB 4.27Å; T223-I230 HydrophobicContact CG2-CD1 4.25Å; T223-I230 HydrophobicContact CG2-CG1 4.15Å; I230-T387 HydrophobicContact CG1-CG2 4.12Å; I230-Y692 HydrophobicContact CG2-CD2 4.35Å; I230-Y692 PolarHBondContact N-O 3.36Å; I230-Y692 WeakPolarHBondContact O-CD2 3.47Å; I230-Y692 PolarHBondContact O-N 3.42Å
231	S	82.1	Confident	87.7	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	141	156.6	155.4	0	0	0	0	109.1	V385 T386 E689 R690	S231-V385 VanDerWaalsContact O-CA 3.31Å; S231-V385 WeakPolarHBondContact O-CA 3.46Å; S231-V385 WeakPolarHBondContact O-CG1 3.33Å; S231-T386 PolarHBondContact N-O 2.69Å; S231-T386 PolarHBondContact O-N 3.05Å; S231-E689 VanDerWaalsContact CB-OE1 3.28Å; S231-E689 WeakPolarHBondContact CB-OE1 3.49Å; S231-E689 VanDerWaalsContact OG-CD 3.32Å; S231-E689 VanDerWaalsContact OG-CG 3.31Å; S231-E689 WeakPolarHBondContact OG-CG 3.46Å; S231-E689 PolarHBondContact OG-OE1 2.76Å; S231-R690 CarbonylContact C-O 3.49Å; S231-R690 WeakPolarHBondContact CA-O 3.38Å
232	R	81.9	Confident	86.9	Confident	15 Å²	15	29.2 Å²	29.2	6%	0.057	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	111.4	169.7	175.6	175.9	166.5	103.6	-4.9	109.3	A209 S210 E234 T383 V385 R690 Y692	A209-R232 HydrophobicContact CB-CB 4.08Å; A209-R232 HydrophobicContact CB-CG 4.36Å; A209-R232 WeakPolarHBondContact O-CD 3.48Å; S210-R232 PolarHBondContact OG-NH2 3.48Å; R232-E234 HydrophobicContact CG-CG 3.98Å; R232-E234 IonicContact CZ-OE1 2.77Å; R232-E234 VanDerWaalsContact CZ-OE1 3.29Å; R232-E234 IonicContact NE-OE1 3.38Å; R232-E234 PolarHBondContact NE-OE1 2.85Å; R232-E234 IonicContact NH2-OE1 2.71Å; R232-E234 PolarHBondContact NH2-OE1 3.16Å; R232-T383 HydrophobicContact CG-CG2 3.78Å; R232-T383 VanDerWaalsContact CZ-OG1 3.23Å; R232-T383 PolarHBondContact NH1-OG1 3.46Å; R232-T383 PolarHBondContact NH2-OG1 3.02Å; R232-V385 HydrophobicContact CB-CG2 4.41Å; R232-V385 HydrophobicContact CG-CG2 4.49Å; R232-R690 PolarHBondContact N-O 3.33Å; R232-R690 PolarHBondContact O-N 2.91Å; R232-Y692 HydrophobicContact CB-CE2 4.49Å
233	V	82.1	Confident	86	Confident	17 Å²	17	31.5 Å²	31.5	10%	0.103	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.2	163.7	-173.9	0	0	0	0	108.7	T383 C384 I687 V688 E689	V233-T383 WeakPolarHBondContact O-CA 3.46Å; V233-T383 VanDerWaalsContact O-CB 3.3Å; V233-T383 WeakPolarHBondContact O-CB 3.37Å; V233-T383 WeakPolarHBondContact O-CG2 3.12Å; V233-T383 PolarHBondContact O-OG1 3.41Å; V233-C384 WeakPolarHBondContact CA-O 3.16Å; V233-C384 HydrophobicContact CB-CB 3.95Å; V233-C384 VanDerWaalsContact CB-O 3.26Å; V233-C384 WeakPolarHBondContact CB-O 3.48Å; V233-C384 HydrophobicContact CG2-CB 3.99Å; V233-C384 PolarHBondContact N-O 2.75Å; V233-I687 HydrophobicContact CG1-CG2 3.32Å; V233-V688 CarbonylContact C-O 3.53Å; V233-V688 VanDerWaalsContact CA-O 3.31Å; V233-V688 WeakPolarHBondContact CA-O 3.48Å; V233-E689 HydrophobicContact CG2-CG 4.29Å
234	E	82.5	Confident	85	Confident	5 Å²	5	38.9 Å²	38.9	2%	0.023	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	147.3	169.6	-60.8	-163.9	146.3	0	0	109.7	R232 F236 I687 V688 R690	R232-E234 HydrophobicContact CG-CG 3.98Å; R232-E234 IonicContact CZ-OE1 2.77Å; R232-E234 VanDerWaalsContact CZ-OE1 3.29Å; R232-E234 IonicContact NE-OE1 3.38Å; R232-E234 PolarHBondContact NE-OE1 2.85Å; R232-E234 IonicContact NH2-OE1 2.71Å; R232-E234 PolarHBondContact NH2-OE1 3.16Å; E234-F236 HydrophobicContact CB-CE2 3.8Å; E234-F236 HydrophobicContact CB-CZ 3.88Å; E234-I687 WeakPolarHBondContact O-CA 3.48Å; E234-V688 PolarHBondContact N-O 3.49Å; E234-V688 PolarHBondContact O-N 3.21Å; E234-R690 IonicContact OE2-CZ 3.67Å; E234-R690 IonicContact OE2-NE 3.37Å; E234-R690 PolarHBondContact OE2-NE 3.09Å; E234-R690 IonicContact OE2-NH2 3.16Å; E234-R690 PolarHBondContact OE2-NH2 3.18Å
235	K	85	Confident	84.2	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.2	-174.9	-72.3	-164.6	-152.5	178.8	0	110.5	F280 A283 R382 Y686 I687	K235-F280 HydrophobicContact CB-CD2 4.4Å; K235-F280 HydrophobicContact CB-CE2 3.6Å; K235-F280 HydrophobicContact CB-CZ 3.85Å; K235-F280 HydrophobicContact CD-CD2 4.13Å; K235-F280 HydrophobicContact CD-CE1 4.4Å; K235-F280 HydrophobicContact CD-CE2 3.99Å; K235-F280 HydrophobicContact CD-CG 4.44Å; K235-F280 HydrophobicContact CD-CZ 4.12Å; K235-F280 HydrophobicContact CG-CD2 4.45Å; K235-F280 HydrophobicContact CG-CE2 4.11Å; K235-F280 PolarHBondContact NZ-O 2.89Å; K235-A283 VanDerWaalsContact CE-O 3.26Å; K235-A283 WeakPolarHBondContact CE-O 3.43Å; K235-A283 PolarHBondContact NZ-O 3.25Å; K235-R382 HydrophobicContact CD-CB 4.2Å; K235-R382 WeakPolarHBondContact CE-O 3.25Å; K235-R382 VanDerWaalsContact CG-O 3.26Å; K235-R382 WeakPolarHBondContact CG-O 3.46Å; K235-Y686 WeakPolarHBondContact CA-O 3.49Å; K235-I687 HydrophobicContact CG-CG1 4.3Å
236	F	85.4	Confident	83.3	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.3	178	-49	-91.6	0	0	0	109.5	E234 Y238 H266 F268 F280 Y686 V688	E234-F236 HydrophobicContact CB-CE2 3.8Å; E234-F236 HydrophobicContact CB-CZ 3.88Å; F236-Y238 HydrophobicContact CB-CD2 4.32Å; F236-Y238 HydrophobicContact CB-CE2 3.55Å; F236-Y238 HydrophobicContact CG-CE2 4.47Å; F236-H266 HydrophobicContact CD1-CB 4.28Å; F236-H266 HydrophobicContact CE1-CB 3.64Å; F236-H266 AromaticContact CE1-CG 3.6Å; F236-H266 AromaticContact CE1-ND1 3.97Å; F236-H266 HydrophobicContact CZ-CB 3.87Å; F236-F268 HydrophobicContact CB-CE1 4.42Å; F236-F268 HydrophobicContact CD2-CD1 4Å; F236-F268 HydrophobicContact CE2-CD1 4.32Å; F236-F268 HydrophobicContact CG-CD1 4.15Å; F236-F268 HydrophobicContact CG-CE1 4.25Å; F236-F280 WeakPolarHBondContact O-CE2 3.48Å; F236-Y686 PolarHBondContact N-O 3.02Å; F236-Y686 PolarHBondContact O-N 3.06Å; F236-V688 HydrophobicContact CD2-CG2 4.49Å; F236-V688 HydrophobicContact CE2-CB 4.49Å; F236-V688 HydrophobicContact CE2-CG2 3.98Å
237	K	88.1	Confident	82.7	Confident	39 Å²	39	42.3 Å²	42.3	17%	0.17	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.1	169.6	-179.9	-149.6	165.8	-154.1	0	107.5	E239 F280 T378 I683 Y685	K237-E239 IonicContact NZ-OE2 3.6Å; K237-E239 PolarHBondContact NZ-OE2 2.88Å; K237-F280 HydrophobicContact CB-CE1 4.42Å; K237-F280 HydrophobicContact CB-CE2 4.5Å; K237-F280 HydrophobicContact CB-CZ 3.9Å; K237-T378 PolarHBondContact NZ-OG1 2.97Å; K237-I683 HydrophobicContact CG-CG2 3.98Å; K237-Y685 HydrophobicContact CB-CD1 4.37Å; K237-Y685 HydrophobicContact CG-CD1 4.13Å; K237-Y685 HydrophobicContact CG-CE1 3.92Å
238	Y	84.6	Confident	81.9	Confident	13 Å²	13	40.2 Å²	40.2	5%	0.051	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.9	171.1	-66.3	-80	0	0	0	109.6	F236 M258 L259 E262 F268 I683 R684 Y686	F236-Y238 HydrophobicContact CB-CD2 4.32Å; F236-Y238 HydrophobicContact CB-CE2 3.55Å; F236-Y238 HydrophobicContact CG-CE2 4.47Å; Y238-M258 HydrophobicContact CD1-CE 3.97Å; Y238-M258 HydrophobicContact CG-CE 4.38Å; Y238-L259 HydrophobicContact CD1-CD2 4.35Å; Y238-L259 HydrophobicContact CD2-CD2 3.62Å; Y238-L259 HydrophobicContact CE2-CD2 4.4Å; Y238-L259 HydrophobicContact CG-CD2 3.59Å; Y238-E262 HydrophobicContact CD1-CG 4.44Å; Y238-E262 HydrophobicContact CE1-CB 3.92Å; Y238-E262 HydrophobicContact CE1-CG 3.6Å; Y238-E262 WeakPolarHBondContact CE1-OE2 3.37Å; Y238-E262 HydrophobicContact CE2-CB 4.48Å; Y238-E262 VanDerWaalsContact CZ-OE2 3.29Å; Y238-E262 PolarHBondContact OH-OE2 2.97Å; Y238-F268 HydrophobicContact CD2-CZ 4.24Å; Y238-F268 AromaticContact CE2-CE1 3.66Å; Y238-F268 HydrophobicContact CE2-CE1 3.66Å; Y238-F268 HydrophobicContact CE2-CE2 4.48Å; Y238-F268 AromaticContact CE2-CZ 3.44Å; Y238-F268 HydrophobicContact CE2-CZ 3.44Å; Y238-F268 VanDerWaalsContact CE2-CZ 3.44Å; Y238-I683 CarbonylContact O-C 3.5Å; Y238-I683 VanDerWaalsContact O-CA 3.32Å; Y238-I683 WeakPolarHBondContact O-CA 3.32Å; Y238-I683 WeakPolarHBondContact O-CG2 3.46Å; Y238-R684 PolarHBondContact N-O 3.33Å; Y238-R684 PolarHBondContact O-N 3.1Å; Y238-Y686 AromaticContact CD2-CD2 3.91Å; Y238-Y686 HydrophobicContact CD2-CD2 3.91Å; Y238-Y686 AromaticContact CD2-CE2 3.89Å; Y238-Y686 HydrophobicContact CD2-CE2 3.89Å; Y238-Y686 HydrophobicContact CE2-CD2 4.18Å; Y238-Y686 HydrophobicContact CE2-CE2 4.47Å
239	E	83.5	Confident	81.3	Confident	34 Å²	34	44.5 Å²	44.5	16%	0.159	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.5	178.2	179.3	172.5	149.4	0	0	108.2	K237 R241 V681 E682 I683	K237-E239 IonicContact NZ-OE2 3.6Å; K237-E239 PolarHBondContact NZ-OE2 2.88Å; E239-R241 IonicContact OE1-CZ 3Å; E239-R241 IonicContact OE1-NE 3.08Å; E239-R241 PolarHBondContact OE1-NE 2.96Å; E239-R241 IonicContact OE1-NH2 2.73Å; E239-R241 PolarHBondContact OE1-NH2 2.93Å; E239-V681 HydrophobicContact CG-CG1 3.47Å; E239-V681 VanDerWaalsContact CG-CG1 3.47Å; E239-E682 WeakPolarHBondContact CA-O 3.24Å; E239-I683 HydrophobicContact CB-CG1 4.36Å; E239-I683 HydrophobicContact CG-CD1 4.47Å; E239-I683 HydrophobicContact CG-CG1 4.06Å
240	F	80.3	Confident	80.8	Confident	15 Å²	15	50.1 Å²	50.1	7%	0.066	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.6	-176.7	-175.8	-91.5	0	0	0	109.6	F242 F255 M258 V681 E682	F240-F242 AromaticContact CD1-CD1 3.93Å; F240-F242 HydrophobicContact CD1-CD1 3.93Å; F240-F242 AromaticContact CD1-CE1 3.97Å; F240-F242 HydrophobicContact CD1-CE1 3.97Å; F240-F242 AromaticContact CE1-CD1 3.76Å; F240-F242 HydrophobicContact CE1-CD1 3.76Å; F240-F242 HydrophobicContact CE1-CE1 4.06Å; F240-F255 HydrophobicContact CB-CB 4.46Å; F240-F255 HydrophobicContact CB-CD1 4.46Å; F240-F255 HydrophobicContact CB-CD2 3.28Å; F240-F255 HydrophobicContact CB-CE2 3.43Å; F240-F255 VanDerWaalsContact CB-CE2 3.43Å; F240-F255 HydrophobicContact CB-CG 3.84Å; F240-F255 HydrophobicContact CB-CZ 4.09Å; F240-F255 HydrophobicContact CD1-CB 3.84Å; F240-F255 HydrophobicContact CD1-CD2 4.27Å; F240-F255 HydrophobicContact CD1-CG 4.09Å; F240-F255 HydrophobicContact CD2-CB 4.11Å; F240-F255 AromaticContact CD2-CD2 3.74Å; F240-F255 HydrophobicContact CD2-CD2 3.74Å; F240-F255 HydrophobicContact CD2-CG 4.25Å; F240-F255 HydrophobicContact CE1-CB 4.04Å; F240-F255 HydrophobicContact CE2-CB 4.3Å; F240-F255 HydrophobicContact CG-CB 3.88Å; F240-F255 AromaticContact CG-CD2 3.52Å; F240-F255 HydrophobicContact CG-CD2 3.52Å; F240-F255 HydrophobicContact CG-CE2 4.2Å; F240-F255 AromaticContact CG-CG 3.81Å; F240-F255 HydrophobicContact CG-CG 3.81Å; F240-F255 HydrophobicContact CZ-CB 4.26Å; F240-M258 HydrophobicContact CD2-SD 4.43Å; F240-V681 WeakPolarHBondContact O-CA 3.44Å; F240-E682 PolarHBondContact N-O 3.02Å; F240-E682 PolarHBondContact O-N 2.86Å
241	R	80.2	Confident	80.4	Confident	120 Å²	120	50.1 Å²	50.1	45%	0.453	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.3	179.7	-51	-153.1	178	116.1	6.3	108.7	E239 P243 Q376 E680 V681	E239-R241 IonicContact OE1-CZ 3Å; E239-R241 IonicContact OE1-NE 3.08Å; E239-R241 PolarHBondContact OE1-NE 2.96Å; E239-R241 IonicContact OE1-NH2 2.73Å; E239-R241 PolarHBondContact OE1-NH2 2.93Å; R241-P243 WeakPolarHBondContact O-CD 3.41Å; R241-Q376 VanDerWaalsContact CZ-OE1 3.24Å; R241-E680 CarbonylContact C-O 3.02Å; R241-E680 WeakPolarHBondContact CA-O 3.48Å; R241-V681 HydrophobicContact CB-CG2 4.38Å; R241-V681 HydrophobicContact CG-CB 4.47Å; R241-V681 HydrophobicContact CG-CG1 4.15Å; R241-V681 HydrophobicContact CG-CG2 3.79Å
242	F	77.4	Confident	80.2	Confident	32 Å²	32	50.2 Å²	50.2	14%	0.14	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-71.4	123.3	-176	-65.7	-66.7	0	0	0	110.2	F240 K244 V252 P679 E680 E682	F240-F242 AromaticContact CD1-CD1 3.93Å; F240-F242 HydrophobicContact CD1-CD1 3.93Å; F240-F242 AromaticContact CD1-CE1 3.97Å; F240-F242 HydrophobicContact CD1-CE1 3.97Å; F240-F242 AromaticContact CE1-CD1 3.76Å; F240-F242 HydrophobicContact CE1-CD1 3.76Å; F240-F242 HydrophobicContact CE1-CE1 4.06Å; F242-K244 PolarHBondContact O-N 3.48Å; F242-V252 HydrophobicContact CE1-CG2 3.83Å; F242-V252 HydrophobicContact CZ-CG2 4.11Å; F242-P679 WeakPolarHBondContact CD2-O 3.34Å; F242-E680 PolarHBondContact N-O 2.81Å; F242-E682 HydrophobicContact CE2-CB 3.71Å; F242-E682 HydrophobicContact CZ-CB 3.65Å; F242-E682 HydrophobicContact CZ-CG 4.31Å
243	P	76.1	Confident	80	Confident	48 Å²	48	53.9 Å²	53.9	31%	0.312	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-62.2	133.6	173.1	-20.7	33.1	0	0	0	110.1	R241 D245 V246	R241-P243 WeakPolarHBondContact O-CD 3.41Å; P243-D245 PolarHBondContact O-N 3.4Å; P243-V246 HydrophobicContact CB-CB 4.17Å; P243-V246 HydrophobicContact CB-CG2 3.84Å; P243-V246 HydrophobicContact CG-CG2 4.33Å; P243-V246 PolarHBondContact O-N 3.01Å
244	K	75.2	Confident	79.9	Confident	156 Å²	156	56.9 Å²	56.9	68%	0.678	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.2	-170.1	-55.4	-159	-179.9	-157.7	0	113.4	F242 E680	F242-K244 PolarHBondContact O-N 3.48Å; K244-E680 WeakPolarHBondContact CE-OE1 3.3Å; K244-E680 IonicContact NZ-OE1 3.84Å; K244-E680 PolarHBondContact NZ-OE1 2.71Å; K244-E680 IonicContact NZ-OE2 2.77Å; K244-E680 PolarHBondContact NZ-OE2 2.73Å
245	D	77.3	Confident	80.1	Confident	116 Å²	116	56.7 Å²	56.7	62%	0.62	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	1.6	-175.4	-40.9	-85.6	0	0	0	113.2	P243 I370	P243-D245 PolarHBondContact O-N 3.4Å; D245-I370 HydrophobicContact CB-CD1 3.81Å; D245-I370 HydrophobicContact CB-CG2 4.22Å
246	V	75.6	Confident	80	Confident	42 Å²	42	56.6 Å²	56.6	26%	0.255	27%	0.267	S	S	.	.	S	Bend	trans	-110.4	124.1	-179.4	-176.6	0	0	0	0	109.6	P243 R248 K250 S251	P243-V246 HydrophobicContact CB-CB 4.17Å; P243-V246 HydrophobicContact CB-CG2 3.84Å; P243-V246 HydrophobicContact CG-CG2 4.33Å; P243-V246 PolarHBondContact O-N 3.01Å; V246-R248 PolarHBondContact O-N 2.87Å; V246-K250 HydrophobicContact CG1-CB 4.09Å; V246-K250 HydrophobicContact CG1-CD 4.08Å; V246-K250 HydrophobicContact CG1-CG 4.03Å; V246-S251 WeakPolarHBondContact CB-OG 3.35Å; V246-S251 WeakPolarHBondContact CG1-OG 3.32Å; V246-S251 PolarHBondContact O-OG 2.94Å
247	P	81.7	Confident	79.9	Confident	92 Å²	92	63.7 Å²	63.7	60%	0.597	29%	0.293	S	S	*	.			trans	-50.5	131.3	-179.7	-29.7	35.5	0	0	0	112.5	E249 K250 S251	P247-E249 PolarHBondContact O-N 2.61Å; P247-E249 VanDerWaalsContact O-N 3.07Å; P247-K250 WeakPolarHBondContact O-CA 3.48Å; P247-K250 WeakPolarHBondContact O-CB 3.4Å; P247-K250 PolarHBondContact O-N 2.79Å; P247-S251 PolarHBondContact O-N 3.09Å; P247-S251 VanDerWaalsContact O-N 3.1Å; P247-S251 PolarHBondContact O-OG 3.22Å
248	R	75.2	Confident	79.7	Confident	92 Å²	92	64.2 Å²	64.2	35%	0.347	30%	0.297	S	S	.	.	H	α-helix	trans	-46.6	-46.7	-170.6	-174.8	-176	163.3	-71.2	-5.3	112.7	V246 K250 S251 V252 E593	V246-R248 PolarHBondContact O-N 2.87Å; R248-K250 PolarHBondContact O-N 2.98Å; R248-S251 CarbonylContact O-C 3.57Å; R248-S251 WeakPolarHBondContact O-CB 3.5Å; R248-S251 PolarHBondContact O-N 3.14Å; R248-S251 VanDerWaalsContact O-N 3.15Å; R248-V252 HydrophobicContact CG-CG2 4.36Å; R248-V252 WeakPolarHBondContact O-CG2 3.46Å; R248-V252 PolarHBondContact O-N 3.47Å; R248-E593 IonicContact CZ-OE2 2.78Å; R248-E593 IonicContact NH1-OE1 2.74Å; R248-E593 PolarHBondContact NH1-OE1 3.15Å; R248-E593 VanDerWaalsContact NH1-OE1 3.08Å; R248-E593 IonicContact NH1-OE2 3.62Å; R248-E593 PolarHBondContact NH1-OE2 3.34Å; R248-E593 IonicContact NH2-OE2 3.17Å; R248-E593 PolarHBondContact NH2-OE2 3.17Å
249	E	77	Confident	79.8	Confident	90 Å²	90	63.6 Å²	63.6	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-57.7	-48.3	178.7	-167	-164.5	176.3	0	0	112.5	P247 S251 V252 R253 P592	P247-E249 PolarHBondContact O-N 2.61Å; P247-E249 VanDerWaalsContact O-N 3.07Å; E249-S251 VanDerWaalsContact C-N 3.28Å; E249-S251 PolarHBondContact O-N 3.04Å; E249-V252 PolarHBondContact O-N 3.25Å; E249-R253 VanDerWaalsContact CD-NH2 3.26Å; E249-R253 WeakPolarHBondContact O-CG 3.5Å; E249-R253 PolarHBondContact O-N 3.29Å; E249-R253 IonicContact OE1-CZ 3.45Å; E249-R253 IonicContact OE1-NE 3.19Å; E249-R253 PolarHBondContact OE1-NE 3.09Å; E249-R253 IonicContact OE1-NH2 2.76Å; E249-R253 PolarHBondContact OE1-NH2 3.05Å; E249-R253 IonicContact OE2-NH2 3.68Å; E249-P592 HydrophobicContact CG-CG 4Å
250	K	77.8	Confident	80	Confident	123 Å²	123	64.2 Å²	64.2	54%	0.535	30%	0.299	S	S	.	.	H	α-helix	trans	-60.6	-39.4	176.3	-176.7	172.5	178.9	176.2	0	111	V246 P247 R248 R253 L254	V246-K250 HydrophobicContact CG1-CB 4.09Å; V246-K250 HydrophobicContact CG1-CD 4.08Å; V246-K250 HydrophobicContact CG1-CG 4.03Å; P247-K250 WeakPolarHBondContact O-CA 3.48Å; P247-K250 WeakPolarHBondContact O-CB 3.4Å; P247-K250 PolarHBondContact O-N 2.79Å; R248-K250 PolarHBondContact O-N 2.98Å; K250-R253 PolarHBondContact O-N 3.41Å; K250-L254 WeakPolarHBondContact O-CG 3.24Å; K250-L254 PolarHBondContact O-N 3.01Å
251	S	78.5	Confident	80.1	Confident	0 Å²	0	68 Å²	68	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68.2	-36.3	176.6	-52.7	0	0	0	0	112.9	V246 P247 R248 E249 L254 F255	V246-S251 WeakPolarHBondContact CB-OG 3.35Å; V246-S251 WeakPolarHBondContact CG1-OG 3.32Å; V246-S251 PolarHBondContact O-OG 2.94Å; P247-S251 PolarHBondContact O-N 3.09Å; P247-S251 VanDerWaalsContact O-N 3.1Å; P247-S251 PolarHBondContact O-OG 3.22Å; R248-S251 CarbonylContact O-C 3.57Å; R248-S251 WeakPolarHBondContact O-CB 3.5Å; R248-S251 PolarHBondContact O-N 3.14Å; R248-S251 VanDerWaalsContact O-N 3.15Å; E249-S251 VanDerWaalsContact C-N 3.28Å; E249-S251 PolarHBondContact O-N 3.04Å; S251-L254 PolarHBondContact O-N 3.09Å; S251-F255 PolarHBondContact O-N 3.3Å
252	V	78.6	Confident	80.4	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-67.9	-43.6	172.1	175.5	0	0	0	0	110.9	F242 R248 E249 L254 F255 V256 P592	F242-V252 HydrophobicContact CE1-CG2 3.83Å; F242-V252 HydrophobicContact CZ-CG2 4.11Å; R248-V252 HydrophobicContact CG-CG2 4.36Å; R248-V252 WeakPolarHBondContact O-CG2 3.46Å; R248-V252 PolarHBondContact O-N 3.47Å; E249-V252 PolarHBondContact O-N 3.25Å; V252-L254 VanDerWaalsContact C-N 3.3Å; V252-L254 PolarHBondContact O-N 2.87Å; V252-F255 PolarHBondContact O-N 2.78Å; V252-V256 HydrophobicContact CG1-CG2 4.33Å; V252-V256 WeakPolarHBondContact O-CG2 3.43Å; V252-V256 PolarHBondContact O-N 3.37Å; V252-P592 HydrophobicContact CG1-CB 4.18Å
253	R	78.8	Confident	80.6	Confident	92 Å²	92	62.3 Å²	62.3	35%	0.347	30%	0.297	S	S	.	.	H	α-helix	trans	-57.5	-41.8	174.1	-65.7	-174.6	-157.3	178.7	4.3	111.7	E249 K250 R257 V588 P592	E249-R253 VanDerWaalsContact CD-NH2 3.26Å; E249-R253 WeakPolarHBondContact O-CG 3.5Å; E249-R253 PolarHBondContact O-N 3.29Å; E249-R253 IonicContact OE1-CZ 3.45Å; E249-R253 IonicContact OE1-NE 3.19Å; E249-R253 PolarHBondContact OE1-NE 3.09Å; E249-R253 IonicContact OE1-NH2 2.76Å; E249-R253 PolarHBondContact OE1-NH2 3.05Å; E249-R253 IonicContact OE2-NH2 3.68Å; K250-R253 PolarHBondContact O-N 3.41Å; R253-R257 WeakPolarHBondContact O-CB 3.32Å; R253-R257 PolarHBondContact O-N 2.75Å; R253-V588 WeakPolarHBondContact CG-O 3.46Å; R253-P592 HydrophobicContact CG-CB 3.95Å; R253-P592 HydrophobicContact CG-CG 3.73Å
254	L	79.4	Confident	81.1	Confident	81 Å²	81	68.2 Å²	68.2	42%	0.424	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-46.4	174.4	-73.6	169.9	0	0	0	112.1	K250 S251 V252 R257 M258	K250-L254 WeakPolarHBondContact O-CG 3.24Å; K250-L254 PolarHBondContact O-N 3.01Å; S251-L254 PolarHBondContact O-N 3.09Å; V252-L254 VanDerWaalsContact C-N 3.3Å; V252-L254 PolarHBondContact O-N 2.87Å; L254-R257 PolarHBondContact O-N 2.97Å; L254-M258 PolarHBondContact O-N 2.86Å
255	F	86.7	Confident	81.4	Confident	1 Å²	1	66.2 Å²	66.2	0%	0.004	30%	0.304	C	S	.	.	H	α-helix	trans	-62.2	-43.4	177.6	178.3	-131.8	0	0	0	112.5	F240 S251 V252 R257 M258 L259 W596 E682 R684	F240-F255 HydrophobicContact CB-CB 4.46Å; F240-F255 HydrophobicContact CB-CD1 4.46Å; F240-F255 HydrophobicContact CB-CD2 3.28Å; F240-F255 HydrophobicContact CB-CE2 3.43Å; F240-F255 VanDerWaalsContact CB-CE2 3.43Å; F240-F255 HydrophobicContact CB-CG 3.84Å; F240-F255 HydrophobicContact CB-CZ 4.09Å; F240-F255 HydrophobicContact CD1-CB 3.84Å; F240-F255 HydrophobicContact CD1-CD2 4.27Å; F240-F255 HydrophobicContact CD1-CG 4.09Å; F240-F255 HydrophobicContact CD2-CB 4.11Å; F240-F255 AromaticContact CD2-CD2 3.74Å; F240-F255 HydrophobicContact CD2-CD2 3.74Å; F240-F255 HydrophobicContact CD2-CG 4.25Å; F240-F255 HydrophobicContact CE1-CB 4.04Å; F240-F255 HydrophobicContact CE2-CB 4.3Å; F240-F255 HydrophobicContact CG-CB 3.88Å; F240-F255 AromaticContact CG-CD2 3.52Å; F240-F255 HydrophobicContact CG-CD2 3.52Å; F240-F255 HydrophobicContact CG-CE2 4.2Å; F240-F255 AromaticContact CG-CG 3.81Å; F240-F255 HydrophobicContact CG-CG 3.81Å; F240-F255 HydrophobicContact CZ-CB 4.26Å; S251-F255 PolarHBondContact O-N 3.3Å; V252-F255 PolarHBondContact O-N 2.78Å; F255-R257 VanDerWaalsContact C-N 3.35Å; F255-R257 PolarHBondContact O-N 2.96Å; F255-M258 HydrophobicContact CD2-CE 3.73Å; F255-M258 HydrophobicContact CE2-CE 3.69Å; F255-M258 WeakPolarHBondContact O-CB 3.49Å; F255-M258 PolarHBondContact O-N 3.05Å; F255-L259 HydrophobicContact CD1-CD1 4.01Å; F255-L259 HydrophobicContact CD2-CD1 4.16Å; F255-L259 HydrophobicContact CD2-CG 4.09Å; F255-L259 HydrophobicContact CE1-CD1 3.63Å; F255-L259 HydrophobicContact CE1-CG 4.5Å; F255-L259 HydrophobicContact CE2-CD1 3.8Å; F255-L259 HydrophobicContact CE2-CD2 4.02Å; F255-L259 HydrophobicContact CE2-CG 3.79Å; F255-L259 HydrophobicContact CG-CD1 4.28Å; F255-L259 HydrophobicContact CZ-CD1 3.55Å; F255-L259 HydrophobicContact CZ-CD2 4.22Å; F255-L259 HydrophobicContact CZ-CG 4.04Å; F255-L259 WeakPolarHBondContact O-CG 3.48Å; F255-L259 PolarHBondContact O-N 3.22Å; F255-W596 HydrophobicContact CE1-CZ2 4.45Å; F255-E682 HydrophobicContact CD1-CG 3.88Å; F255-E682 HydrophobicContact CE1-CB 4.16Å; F255-E682 HydrophobicContact CE1-CG 3.33Å; F255-E682 HydrophobicContact CZ-CG 4.09Å; F255-R684 HydrophobicContact CE1-CG 3.64Å; F255-R684 HydrophobicContact CZ-CB 4.14Å; F255-R684 HydrophobicContact CZ-CG 3.71Å
256	V	83.4	Confident	81.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.3	-36	176.7	-175.4	0	0	0	0	111.5	V252 L259 L260 L270 V588 I595 W596	V252-V256 HydrophobicContact CG1-CG2 4.33Å; V252-V256 WeakPolarHBondContact O-CG2 3.43Å; V252-V256 PolarHBondContact O-N 3.37Å; V256-L259 PolarHBondContact O-N 2.94Å; V256-L260 HydrophobicContact CG1-CD1 4.28Å; V256-L260 HydrophobicContact CG1-CG 4.39Å; V256-L260 WeakPolarHBondContact O-CB 3.5Å; V256-L260 WeakPolarHBondContact O-CG 3.21Å; V256-L260 PolarHBondContact O-N 3.33Å; V256-L270 HydrophobicContact CG1-CD2 3.91Å; V256-V588 HydrophobicContact CB-CG2 3.99Å; V256-V588 HydrophobicContact CG1-CG2 3.39Å; V256-I595 HydrophobicContact CG1-CD1 3.84Å; V256-I595 HydrophobicContact CG2-CD1 4.33Å; V256-W596 HydrophobicContact CG2-CZ2 3.79Å
257	R	81.7	Confident	81.9	Confident	149 Å²	149	62.2 Å²	62.2	56%	0.562	29%	0.291	S	S	*	.	H	α-helix	trans	-62.6	-42.7	173.9	-162.6	-177.6	-160.5	-171	6.7	111.8	R253 L254 F255 L260 E261	R253-R257 WeakPolarHBondContact O-CB 3.32Å; R253-R257 PolarHBondContact O-N 2.75Å; L254-R257 PolarHBondContact O-N 2.97Å; F255-R257 VanDerWaalsContact C-N 3.35Å; F255-R257 PolarHBondContact O-N 2.96Å; R257-L260 PolarHBondContact O-N 3.45Å; R257-E261 PolarHBondContact O-N 2.71Å; R257-E261 VanDerWaalsContact O-N 3.16Å
258	M	85.5	Confident	82.1	Confident	50 Å²	50	58.3 Å²	58.3	25%	0.246	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-45.6	173.2	-175.1	-152.6	79	0	0	111.3	Y238 F240 L254 F255 E261 E262	Y238-M258 HydrophobicContact CD1-CE 3.97Å; Y238-M258 HydrophobicContact CG-CE 4.38Å; F240-M258 HydrophobicContact CD2-SD 4.43Å; L254-M258 PolarHBondContact O-N 2.86Å; F255-M258 HydrophobicContact CD2-CE 3.73Å; F255-M258 HydrophobicContact CE2-CE 3.69Å; F255-M258 WeakPolarHBondContact O-CB 3.49Å; F255-M258 PolarHBondContact O-N 3.05Å; M258-E261 PolarHBondContact O-N 2.69Å; M258-E262 WeakPolarHBondContact O-CB 3.45Å; M258-E262 PolarHBondContact O-N 2.82Å
259	L	86.2	Confident	82.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-38.8	177.5	-73.9	173.2	0	0	0	112.8	Y238 F255 V256 E261 E262 G263 L270 W596 R684 Y686	Y238-L259 HydrophobicContact CD1-CD2 4.35Å; Y238-L259 HydrophobicContact CD2-CD2 3.62Å; Y238-L259 HydrophobicContact CE2-CD2 4.4Å; Y238-L259 HydrophobicContact CG-CD2 3.59Å; F255-L259 HydrophobicContact CD1-CD1 4.01Å; F255-L259 HydrophobicContact CD2-CD1 4.16Å; F255-L259 HydrophobicContact CD2-CG 4.09Å; F255-L259 HydrophobicContact CE1-CD1 3.63Å; F255-L259 HydrophobicContact CE1-CG 4.5Å; F255-L259 HydrophobicContact CE2-CD1 3.8Å; F255-L259 HydrophobicContact CE2-CD2 4.02Å; F255-L259 HydrophobicContact CE2-CG 3.79Å; F255-L259 HydrophobicContact CG-CD1 4.28Å; F255-L259 HydrophobicContact CZ-CD1 3.55Å; F255-L259 HydrophobicContact CZ-CD2 4.22Å; F255-L259 HydrophobicContact CZ-CG 4.04Å; F255-L259 WeakPolarHBondContact O-CG 3.48Å; F255-L259 PolarHBondContact O-N 3.22Å; V256-L259 PolarHBondContact O-N 2.94Å; L259-E261 VanDerWaalsContact C-N 3.34Å; L259-E262 PolarHBondContact O-N 2.84Å; L259-G263 PolarHBondContact O-N 2.87Å; L259-L270 HydrophobicContact CB-CD1 4.49Å; L259-L270 HydrophobicContact CB-CD2 3.82Å; L259-L270 HydrophobicContact CB-CG 4.21Å; L259-W596 HydrophobicContact CD1-CH2 3.72Å; L259-W596 HydrophobicContact CD1-CZ2 3.96Å; L259-R684 HydrophobicContact CD1-CB 4.47Å; L259-R684 HydrophobicContact CD1-CG 4.23Å; L259-Y686 HydrophobicContact CD2-CE2 3.89Å
260	L	87.3	Confident	83.2	Confident	47 Å²	47	51.7 Å²	51.7	25%	0.246	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-41.1	175.7	-80.1	168.4	0	0	0	111.7	V256 R257 G263 R264 L270 I584 V588	V256-L260 HydrophobicContact CG1-CD1 4.28Å; V256-L260 HydrophobicContact CG1-CG 4.39Å; V256-L260 WeakPolarHBondContact O-CB 3.5Å; V256-L260 WeakPolarHBondContact O-CG 3.21Å; V256-L260 PolarHBondContact O-N 3.33Å; R257-L260 PolarHBondContact O-N 3.45Å; L260-G263 PolarHBondContact O-N 2.7Å; L260-R264 WeakPolarHBondContact O-CB 3.46Å; L260-R264 PolarHBondContact O-N 3.14Å; L260-L270 HydrophobicContact CD2-CD1 4.16Å; L260-L270 HydrophobicContact CD2-CD2 3.89Å; L260-L270 HydrophobicContact CG-CD2 3.82Å; L260-I584 HydrophobicContact CD2-CG2 4.02Å; L260-V588 HydrophobicContact CD1-CG2 3.99Å
261	E	83.2	Confident	83.5	Confident	93 Å²	93	47.5 Å²	47.5	44%	0.435	22%	0.221	S	C	.	.	H	α-helix	trans	-69.6	-42.4	177.2	178.4	58.8	-171.3	0	0	112	R257 M258 L259 G263 R264 K265	R257-E261 PolarHBondContact O-N 2.71Å; R257-E261 VanDerWaalsContact O-N 3.16Å; M258-E261 PolarHBondContact O-N 2.69Å; L259-E261 VanDerWaalsContact C-N 3.34Å; E261-G263 VanDerWaalsContact C-N 3.34Å; E261-G263 PolarHBondContact O-N 3.38Å; E261-R264 WeakPolarHBondContact O-CB 3.37Å; E261-R264 PolarHBondContact O-N 2.71Å; E261-R264 IonicContact OE1-CZ 3.22Å; E261-R264 IonicContact OE1-NE 3.56Å; E261-R264 IonicContact OE1-NH2 2.86Å; E261-R264 PolarHBondContact OE1-NH2 3.08Å; E261-R264 IonicContact OE2-CZ 3.59Å; E261-R264 IonicContact OE2-NE 3.41Å; E261-R264 PolarHBondContact OE2-NE 3.22Å; E261-R264 IonicContact OE2-NH2 2.71Å; E261-R264 PolarHBondContact OE2-NH2 2.95Å; E261-K265 VanDerWaalsContact O-CB 3.25Å; E261-K265 WeakPolarHBondContact O-CB 3.44Å; E261-K265 PolarHBondContact O-N 3.39Å
262	E	85.2	Confident	83.9	Confident	27 Å²	27	53.6 Å²	53.6	13%	0.126	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-37.7	171.7	-78.7	-71.2	122.3	0	0	112.3	Y238 M258 L259 K265 H266 F268	Y238-E262 HydrophobicContact CD1-CG 4.44Å; Y238-E262 HydrophobicContact CE1-CB 3.92Å; Y238-E262 HydrophobicContact CE1-CG 3.6Å; Y238-E262 WeakPolarHBondContact CE1-OE2 3.37Å; Y238-E262 HydrophobicContact CE2-CB 4.48Å; Y238-E262 VanDerWaalsContact CZ-OE2 3.29Å; Y238-E262 PolarHBondContact OH-OE2 2.97Å; M258-E262 WeakPolarHBondContact O-CB 3.45Å; M258-E262 PolarHBondContact O-N 2.82Å; L259-E262 PolarHBondContact O-N 2.84Å; E262-K265 PolarHBondContact O-N 3.09Å; E262-K265 WeakPolarHBondContact OE1-CD 3.43Å; E262-K265 IonicContact OE1-NZ 3.3Å; E262-K265 PolarHBondContact OE1-NZ 3.15Å; E262-K265 IonicContact OE2-NZ 2.69Å; E262-H266 WeakPolarHBondContact O-CB 3.46Å; E262-H266 PolarHBondContact O-N 3.17Å; E262-H266 IonicContact OE2-CD2 3.14Å; E262-H266 PolarHBondContact OE2-CD2 3.05Å; E262-H266 IonicContact OE2-NE2 3.59Å; E262-F268 HydrophobicContact CB-CE1 4.29Å; E262-F268 HydrophobicContact CB-CZ 4.17Å; E262-F268 WeakPolarHBondContact O-CE1 3.25Å
263	G	83.4	Confident	84.4	Confident	6 Å²	6	55.3 Å²	55.3	6%	0.062	26%	0.257	C	S	.	.	H	α-helix	trans	-66.6	-36.5	174.2	0	0	0	0	0	112.7	L259 L260 E261 G267 F268	L259-G263 PolarHBondContact O-N 2.87Å; L260-G263 PolarHBondContact O-N 2.7Å; E261-G263 VanDerWaalsContact C-N 3.34Å; E261-G263 PolarHBondContact O-N 3.38Å; G263-G267 CarbonylContact O-C 3.45Å; G263-G267 WeakPolarHBondContact O-CA 3.4Å; G263-G267 PolarHBondContact O-N 3.21Å; G263-F268 CarbonylContact C-O 3.51Å; G263-F268 VanDerWaalsContact CA-O 3.27Å; G263-F268 WeakPolarHBondContact CA-O 3.5Å; G263-F268 PolarHBondContact O-N 3.09Å
264	R	85.3	Confident	84.9	Confident	173 Å²	173	52.9 Å²	52.9	65%	0.653	26%	0.256	S	S	*	.	H	α-helix	trans	-66.8	-44.7	171.5	-172	-170.5	71.4	77.6	-2	111.7	L260 E261	L260-R264 WeakPolarHBondContact O-CB 3.46Å; L260-R264 PolarHBondContact O-N 3.14Å; E261-R264 WeakPolarHBondContact O-CB 3.37Å; E261-R264 PolarHBondContact O-N 2.71Å; E261-R264 IonicContact OE1-CZ 3.22Å; E261-R264 IonicContact OE1-NE 3.56Å; E261-R264 IonicContact OE1-NH2 2.86Å; E261-R264 PolarHBondContact OE1-NH2 3.08Å; E261-R264 IonicContact OE2-CZ 3.59Å; E261-R264 IonicContact OE2-NE 3.41Å; E261-R264 PolarHBondContact OE2-NE 3.22Å; E261-R264 IonicContact OE2-NH2 2.71Å; E261-R264 PolarHBondContact OE2-NH2 2.95Å
265	K	81.6	Confident	85.4	Confident	113 Å²	113	50.9 Å²	50.9	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-66.8	-43.7	-180	171	-176.2	164.6	-165.1	0	112.9	E261 E262	E261-K265 VanDerWaalsContact O-CB 3.25Å; E261-K265 WeakPolarHBondContact O-CB 3.44Å; E261-K265 PolarHBondContact O-N 3.39Å; E262-K265 PolarHBondContact O-N 3.09Å; E262-K265 WeakPolarHBondContact OE1-CD 3.43Å; E262-K265 IonicContact OE1-NZ 3.3Å; E262-K265 PolarHBondContact OE1-NZ 3.15Å; E262-K265 IonicContact OE2-NZ 2.69Å
266	H	81.2	Confident	85.6	Confident	30 Å²	30	53.4 Å²	53.4	14%	0.139	27%	0.265	C	S	.	.	H	α-helix	trans	-100.2	4.2	-179.3	-69.3	-56.1	0	0	0	113.8	F236 E262 F268 R690	F236-H266 HydrophobicContact CD1-CB 4.28Å; F236-H266 HydrophobicContact CE1-CB 3.64Å; F236-H266 AromaticContact CE1-CG 3.6Å; F236-H266 AromaticContact CE1-ND1 3.97Å; F236-H266 HydrophobicContact CZ-CB 3.87Å; E262-H266 WeakPolarHBondContact O-CB 3.46Å; E262-H266 PolarHBondContact O-N 3.17Å; E262-H266 IonicContact OE2-CD2 3.14Å; E262-H266 PolarHBondContact OE2-CD2 3.05Å; E262-H266 IonicContact OE2-NE2 3.59Å; H266-F268 HydrophobicContact CB-CD1 3.85Å; H266-F268 HydrophobicContact CB-CE1 4.14Å; H266-F268 PolarHBondContact O-N 2.71Å; H266-R690 PolarHBondContact O-NH1 2.91Å; H266-R690 PolarHBondContact O-NH2 3.43Å
267	G	82.5	Confident	85.8	Confident	44 Å²	44	57.9 Å²	57.9	45%	0.454	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	51.7	178	0	0	0	0	0	113	G263 R690	G263-G267 CarbonylContact O-C 3.45Å; G263-G267 WeakPolarHBondContact O-CA 3.4Å; G263-G267 PolarHBondContact O-N 3.21Å; G267-R690 PolarHBondContact O-NH1 3.21Å
268	F	86.5	Confident	86	Confident	10 Å²	10	55.5 Å²	55.5	4%	0.044	28%	0.279	C	S	.	.			trans	-123.7	147.1	170.3	73.7	-103.9	0	0	0	110.8	F236 Y238 E262 G263 H266 L270 D273 Y686 V688	F236-F268 HydrophobicContact CB-CE1 4.42Å; F236-F268 HydrophobicContact CD2-CD1 4Å; F236-F268 HydrophobicContact CE2-CD1 4.32Å; F236-F268 HydrophobicContact CG-CD1 4.15Å; F236-F268 HydrophobicContact CG-CE1 4.25Å; Y238-F268 HydrophobicContact CD2-CZ 4.24Å; Y238-F268 AromaticContact CE2-CE1 3.66Å; Y238-F268 HydrophobicContact CE2-CE1 3.66Å; Y238-F268 HydrophobicContact CE2-CE2 4.48Å; Y238-F268 AromaticContact CE2-CZ 3.44Å; Y238-F268 HydrophobicContact CE2-CZ 3.44Å; Y238-F268 VanDerWaalsContact CE2-CZ 3.44Å; E262-F268 HydrophobicContact CB-CE1 4.29Å; E262-F268 HydrophobicContact CB-CZ 4.17Å; E262-F268 WeakPolarHBondContact O-CE1 3.25Å; G263-F268 CarbonylContact C-O 3.51Å; G263-F268 VanDerWaalsContact CA-O 3.27Å; G263-F268 WeakPolarHBondContact CA-O 3.5Å; G263-F268 PolarHBondContact O-N 3.09Å; H266-F268 HydrophobicContact CB-CD1 3.85Å; H266-F268 HydrophobicContact CB-CE1 4.14Å; H266-F268 PolarHBondContact O-N 2.71Å; F268-L270 HydrophobicContact CD2-CD1 4.36Å; F268-L270 HydrophobicContact CE2-CD1 3.95Å; F268-D273 VanDerWaalsContact CA-OD2 3.28Å; F268-D273 WeakPolarHBondContact CA-OD2 3.49Å; F268-D273 HydrophobicContact CB-CB 4.42Å; F268-Y686 AromaticContact CD2-CD1 3.79Å; F268-Y686 HydrophobicContact CD2-CD1 3.79Å; F268-Y686 HydrophobicContact CD2-CD2 4.19Å; F268-Y686 HydrophobicContact CD2-CE1 4.27Å; F268-Y686 AromaticContact CD2-CG 3.76Å; F268-Y686 HydrophobicContact CD2-CG 3.76Å; F268-Y686 AromaticContact CE2-CD1 3.92Å; F268-Y686 HydrophobicContact CE2-CD1 3.92Å; F268-Y686 AromaticContact CE2-CD2 3.69Å; F268-Y686 HydrophobicContact CE2-CD2 3.69Å; F268-Y686 HydrophobicContact CE2-CE1 4.06Å; F268-Y686 AromaticContact CE2-CE2 3.83Å; F268-Y686 HydrophobicContact CE2-CE2 3.83Å; F268-Y686 AromaticContact CE2-CG 3.75Å; F268-Y686 HydrophobicContact CE2-CG 3.75Å; F268-Y686 HydrophobicContact CG-CG 4.49Å; F268-Y686 HydrophobicContact CZ-CD2 4.08Å; F268-Y686 HydrophobicContact CZ-CE2 4.3Å; F268-Y686 HydrophobicContact CZ-CG 4.46Å; F268-V688 HydrophobicContact CB-CG2 3.33Å
269	H	87.3	Confident	86.2	Confident	37 Å²	37	56.6 Å²	56.6	17%	0.171	29%	0.289	C	S	.	.			trans	-107.2	118.6	-174.2	-178.2	-64.4	0	0	0	111	I271 K272 D273	H269-I271 PolarHBondContact ND1-N 3.32Å; H269-I271 CarbonylContact O-C 3.59Å; H269-I271 PolarHBondContact O-N 3.16Å; H269-K272 HydrophobicContact CB-CB 4.18Å; H269-K272 PolarHBondContact ND1-N 3.15Å; H269-K272 VanDerWaalsContact ND1-N 3.17Å; H269-K272 PolarHBondContact O-N 3.43Å; H269-D273 PolarHBondContact N-OD2 3.44Å; H269-D273 PolarHBondContact O-N 2.85Å
270	L	86.7	Confident	86.2	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-23	-167.7	-87.9	64.4	0	0	0	116.8	V256 L259 L260 F268 A274	V256-L270 HydrophobicContact CG1-CD2 3.91Å; L259-L270 HydrophobicContact CB-CD1 4.49Å; L259-L270 HydrophobicContact CB-CD2 3.82Å; L259-L270 HydrophobicContact CB-CG 4.21Å; L260-L270 HydrophobicContact CD2-CD1 4.16Å; L260-L270 HydrophobicContact CD2-CD2 3.89Å; L260-L270 HydrophobicContact CG-CD2 3.82Å; F268-L270 HydrophobicContact CD2-CD1 4.36Å; F268-L270 HydrophobicContact CE2-CD1 3.95Å; L270-A274 WeakPolarHBondContact O-CB 3.22Å
271	I	85.6	Confident	86.1	Confident	36 Å²	36	60 Å²	60	19%	0.185	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-63.1	173.2	-54.6	174.9	0	0	0	110.8	H269 D273 A274 V579 I584	H269-I271 PolarHBondContact ND1-N 3.32Å; H269-I271 CarbonylContact O-C 3.59Å; H269-I271 PolarHBondContact O-N 3.16Å; I271-D273 VanDerWaalsContact C-N 3.31Å; I271-D273 PolarHBondContact O-N 3.45Å; I271-A274 WeakPolarHBondContact O-CB 3.26Å; I271-A274 PolarHBondContact O-N 3.32Å; I271-A274 VanDerWaalsContact O-N 3.13Å; I271-V579 HydrophobicContact CD1-CG1 4.4Å; I271-I584 HydrophobicContact CD1-CD1 3.87Å; I271-I584 HydrophobicContact CD1-CG1 3.99Å; I271-I584 HydrophobicContact CG1-CD1 4.03Å
272	K	86.5	Confident	86	Confident	127 Å²	127	63.5 Å²	63.5	55%	0.552	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.7	-174.4	-63.7	173.6	178.6	174.7	0	114.8	H269 D578	H269-K272 HydrophobicContact CB-CB 4.18Å; H269-K272 PolarHBondContact ND1-N 3.15Å; H269-K272 VanDerWaalsContact ND1-N 3.17Å; H269-K272 PolarHBondContact O-N 3.43Å; K272-D578 IonicContact NZ-OD1 3.13Å; K272-D578 PolarHBondContact NZ-OD1 3.22Å
273	D	89	Confident	85.2	Confident	40 Å²	40	63.3 Å²	63.3	21%	0.214	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	3.1	-179.4	-59.8	-35.6	0	0	0	113.8	F268 H269 I271 Y686 I687 V688	F268-D273 VanDerWaalsContact CA-OD2 3.28Å; F268-D273 WeakPolarHBondContact CA-OD2 3.49Å; F268-D273 HydrophobicContact CB-CB 4.42Å; H269-D273 PolarHBondContact N-OD2 3.44Å; H269-D273 PolarHBondContact O-N 2.85Å; I271-D273 VanDerWaalsContact C-N 3.31Å; I271-D273 PolarHBondContact O-N 3.45Å; D273-Y686 VanDerWaalsContact O-CA 3.27Å; D273-Y686 WeakPolarHBondContact O-CA 3.15Å; D273-I687 PolarHBondContact O-N 3Å; D273-V688 HydrophobicContact CB-CG2 4.32Å
274	A	89.6	Confident	83.7	Confident	40 Å²	40	65.5 Å²	65.5	33%	0.331	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138.9	-179	0	0	0	0	0	111.7	L270 I271 Y686	L270-A274 WeakPolarHBondContact O-CB 3.22Å; I271-A274 WeakPolarHBondContact O-CB 3.26Å; I271-A274 PolarHBondContact O-N 3.32Å; I271-A274 VanDerWaalsContact O-N 3.13Å; A274-Y686 HydrophobicContact CB-CD1 4.06Å; A274-Y686 HydrophobicContact CB-CE1 3.86Å
275	V	89.5	Confident	81.5	Confident	40 Å²	40	60.6 Å²	60.6	24%	0.242	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	162.8	-179.5	-59	0	0	0	0	112.9	V279 F280 Y685 I687	V275-V279 HydrophobicContact CB-CB 4.08Å; V275-V279 HydrophobicContact CB-CG1 3.93Å; V275-V279 HydrophobicContact CG1-CG1 3.98Å; V275-F280 HydrophobicContact CG2-CB 3.92Å; V275-F280 HydrophobicContact CG2-CD2 4.3Å; V275-Y685 PolarHBondContact N-O 2.97Å; V275-I687 HydrophobicContact CB-CD1 4.41Å; V275-I687 HydrophobicContact CB-CG1 4.38Å; V275-I687 HydrophobicContact CG1-CB 4.06Å; V275-I687 HydrophobicContact CG1-CD1 3.93Å; V275-I687 HydrophobicContact CG1-CG1 3.82Å; V275-I687 HydrophobicContact CG2-CD1 3.94Å; V275-I687 HydrophobicContact CG2-CG1 3.7Å
276	S	89.7	Confident	79.1	Confident	53 Å²	53	61.9 Å²	61.9	37%	0.371	34%	0.341	S	S	.	.			trans	-72.7	159	166.9	92	0	0	0	0	111	E278 V279 F280	S276-E278 WeakPolarHBondContact CB-OE2 3.36Å; S276-E278 PolarHBondContact O-N 2.99Å; S276-E278 PolarHBondContact OG-N 3.44Å; S276-E278 PolarHBondContact OG-OE2 2.83Å; S276-V279 PolarHBondContact O-N 3.14Å; S276-V279 PolarHBondContact OG-N 2.92Å; S276-F280 PolarHBondContact O-N 3.23Å
277	K	88.2	Confident	76.5	Confident	94 Å²	94	65.6 Å²	65.6	41%	0.409	36%	0.362	S	S	.	.	H	α-helix	trans	-55.2	-42.4	176.3	178.6	-177.2	170	-173.5	0	111.5	V279 F280 E281 Y685	K277-V279 VanDerWaalsContact C-N 3.32Å; K277-V279 PolarHBondContact O-N 2.94Å; K277-F280 WeakPolarHBondContact O-CB 3.32Å; K277-F280 PolarHBondContact O-N 3.29Å; K277-E281 VanDerWaalsContact CE-CD 3.43Å; K277-E281 WeakPolarHBondContact CE-OE1 3.46Å; K277-E281 HydrophobicContact CG-CG 4.42Å; K277-E281 IonicContact NZ-OE1 2.6Å; K277-E281 WeakPolarHBondContact O-CG 3.27Å; K277-E281 PolarHBondContact O-N 2.89Å; K277-Y685 HydrophobicContact CB-CD2 4.23Å; K277-Y685 HydrophobicContact CB-CE2 3.71Å; K277-Y685 HydrophobicContact CG-CE1 4.42Å; K277-Y685 HydrophobicContact CG-CE2 4.09Å
278	E	87.1	Confident	74	Confident	100 Å²	100	69.5 Å²	69.5	47%	0.467	37%	0.371	S	S	.	.	H	α-helix	trans	-65.7	-36.6	-177.5	-54.2	68.3	-145.5	0	0	111.2	S276 K282	S276-E278 WeakPolarHBondContact CB-OE2 3.36Å; S276-E278 PolarHBondContact O-N 2.99Å; S276-E278 PolarHBondContact OG-N 3.44Å; S276-E278 PolarHBondContact OG-OE2 2.83Å; E278-K282 WeakPolarHBondContact O-CB 3.28Å; E278-K282 WeakPolarHBondContact O-CD 3.16Å; E278-K282 WeakPolarHBondContact O-CG 3.47Å; E278-K282 PolarHBondContact O-N 2.91Å
279	V	88.3	Confident	71.3	Confident	72 Å²	72	74.4 Å²	74.4	44%	0.436	41%	0.407	S	S	.	.	H	α-helix	trans	-70.3	-43.1	174.1	174.5	0	0	0	0	110.5	V275 S276 K277 E281 K282 A283 I687	V275-V279 HydrophobicContact CB-CB 4.08Å; V275-V279 HydrophobicContact CB-CG1 3.93Å; V275-V279 HydrophobicContact CG1-CG1 3.98Å; S276-V279 PolarHBondContact O-N 3.14Å; S276-V279 PolarHBondContact OG-N 2.92Å; K277-V279 VanDerWaalsContact C-N 3.32Å; K277-V279 PolarHBondContact O-N 2.94Å; V279-E281 VanDerWaalsContact C-N 3.35Å; V279-E281 PolarHBondContact O-N 3.14Å; V279-K282 PolarHBondContact O-N 3.23Å; V279-A283 VanDerWaalsContact O-CB 3.29Å; V279-A283 WeakPolarHBondContact O-CB 3.09Å; V279-A283 PolarHBondContact O-N 3.29Å; V279-I687 HydrophobicContact CG1-CD1 4Å
280	F	87.3	Confident	68.5	Low	12 Å²	12	78.4 Å²	78.4	5%	0.053	43%	0.434	C	S	.	.	H	α-helix	trans	-56.9	-45.9	175	-171.7	-91	0	0	0	112.4	K235 F236 K237 V275 S276 K277 Y685 I687	K235-F280 HydrophobicContact CB-CD2 4.4Å; K235-F280 HydrophobicContact CB-CE2 3.6Å; K235-F280 HydrophobicContact CB-CZ 3.85Å; K235-F280 HydrophobicContact CD-CD2 4.13Å; K235-F280 HydrophobicContact CD-CE1 4.4Å; K235-F280 HydrophobicContact CD-CE2 3.99Å; K235-F280 HydrophobicContact CD-CG 4.44Å; K235-F280 HydrophobicContact CD-CZ 4.12Å; K235-F280 HydrophobicContact CG-CD2 4.45Å; K235-F280 HydrophobicContact CG-CE2 4.11Å; K235-F280 PolarHBondContact NZ-O 2.89Å; F236-F280 WeakPolarHBondContact O-CE2 3.48Å; K237-F280 HydrophobicContact CB-CE1 4.42Å; K237-F280 HydrophobicContact CB-CE2 4.5Å; K237-F280 HydrophobicContact CB-CZ 3.9Å; V275-F280 HydrophobicContact CG2-CB 3.92Å; V275-F280 HydrophobicContact CG2-CD2 4.3Å; S276-F280 PolarHBondContact O-N 3.23Å; K277-F280 WeakPolarHBondContact O-CB 3.32Å; K277-F280 PolarHBondContact O-N 3.29Å; F280-Y685 HydrophobicContact CB-CD1 3.84Å; F280-Y685 HydrophobicContact CB-CG 4.1Å; F280-Y685 AromaticContact CD1-CD1 3.59Å; F280-Y685 HydrophobicContact CD1-CD1 3.59Å; F280-Y685 AromaticContact CD1-CE1 3.97Å; F280-Y685 HydrophobicContact CD1-CE1 3.97Å; F280-Y685 AromaticContact CD2-CD1 3.72Å; F280-Y685 HydrophobicContact CD2-CD1 3.72Å; F280-Y685 HydrophobicContact CD2-CG 4.19Å; F280-Y685 AromaticContact CE1-CD1 4Å; F280-Y685 HydrophobicContact CE1-CD1 4Å; F280-Y685 HydrophobicContact CE1-CE1 4.34Å; F280-Y685 HydrophobicContact CE2-CD1 4.09Å; F280-Y685 AromaticContact CG-CD1 3.43Å; F280-Y685 HydrophobicContact CG-CD1 3.43Å; F280-Y685 VanDerWaalsContact CG-CD1 3.43Å; F280-Y685 HydrophobicContact CG-CE1 4.24Å; F280-Y685 HydrophobicContact CG-CG 4.07Å; F280-Y685 HydrophobicContact CZ-CD1 4.23Å; F280-I687 HydrophobicContact CD2-CG1 4.36Å
281	E	84.6	Confident	65.7	Low	108 Å²	108	83.6 Å²	83.6	51%	0.505	47%	0.468	S	S	.	.	H	α-helix	trans	-69.5	-48.4	177.8	-70.5	175.2	162.4	0	0	111.5	K277 V279 A283 A284	K277-E281 VanDerWaalsContact CE-CD 3.43Å; K277-E281 WeakPolarHBondContact CE-OE1 3.46Å; K277-E281 HydrophobicContact CG-CG 4.42Å; K277-E281 IonicContact NZ-OE1 2.6Å; K277-E281 WeakPolarHBondContact O-CG 3.27Å; K277-E281 PolarHBondContact O-N 2.89Å; V279-E281 VanDerWaalsContact C-N 3.35Å; V279-E281 PolarHBondContact O-N 3.14Å; E281-A283 VanDerWaalsContact C-N 3.33Å; E281-A283 PolarHBondContact O-N 3.22Å; E281-A284 WeakPolarHBondContact O-CB 3.38Å; E281-A284 PolarHBondContact O-N 3.27Å
282	K	81.3	Confident	63.1	Low	166 Å²	166	89.3 Å²	89.3	72%	0.722	50%	0.499	S	S	*	.	H	α-helix	trans	-63.8	-30.6	-179.4	-75	169.5	-175.1	173.7	0	114.2	E278 V279 A284	E278-K282 WeakPolarHBondContact O-CB 3.28Å; E278-K282 WeakPolarHBondContact O-CD 3.16Å; E278-K282 WeakPolarHBondContact O-CG 3.47Å; E278-K282 PolarHBondContact O-N 2.91Å; V279-K282 PolarHBondContact O-N 3.23Å; K282-A284 PolarHBondContact O-N 3.17Å
283	A	69	Low	60.4	Low	23 Å²	23	88.6 Å²	88.6	19%	0.19	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	14.3	177.6	0	0	0	0	0	114	K235 V279 E281 C285 I687	K235-A283 VanDerWaalsContact CE-O 3.26Å; K235-A283 WeakPolarHBondContact CE-O 3.43Å; K235-A283 PolarHBondContact NZ-O 3.25Å; V279-A283 VanDerWaalsContact O-CB 3.29Å; V279-A283 WeakPolarHBondContact O-CB 3.09Å; V279-A283 PolarHBondContact O-N 3.29Å; E281-A283 VanDerWaalsContact C-N 3.33Å; E281-A283 PolarHBondContact O-N 3.22Å; A283-C285 VanDerWaalsContact C-N 3.27Å; A283-C285 PolarHBondContact O-N 3.15Å; A283-I687 HydrophobicContact CB-CD1 3.7Å
284	A	51.6	Low	57.5	Low	51 Å²	51	91.2 Å²	91.2	42%	0.421	54%	0.537	S	S	.	.			trans	-88.3	59	173.1	0	0	0	0	0	110.6	E281 K282 N286	E281-A284 WeakPolarHBondContact O-CB 3.38Å; E281-A284 PolarHBondContact O-N 3.27Å; K282-A284 PolarHBondContact O-N 3.17Å; A284-N286 PolarHBondContact O-N 3.04Å; A284-N286 VanDerWaalsContact O-N 3.12Å
285	C	38.3	Very low	54.7	Low	70 Å²	70	98.2 Å²	98.2	47%	0.473	57%	0.565	S	S	.	*			trans	-78.5	99.3	-170.9	-63.5	0	0	0	0	113.4	A283	A283-C285 VanDerWaalsContact C-N 3.27Å; A283-C285 PolarHBondContact O-N 3.15Å
286	N	30.9	Very low	51.8	Low	141 Å²	141	103.4 Å²	103.4	75%	0.754	59%	0.591	S	S	*	*	S	Bend	trans	71.3	131.3	147.5	-53.3	-24.6	0	0	0	119.9	A284	A284-N286 PolarHBondContact O-N 3.04Å; A284-N286 VanDerWaalsContact O-N 3.12Å
287	N	27	Very low	49	Very low	108 Å²	108	106.3 Å²	106.3	58%	0.578	61%	0.612	S	S	*	*			trans	71.8	52.2	153.9	-59.1	-11.4	0	0	0	120.2	T165	T165-N287 HydrophobicContact CG2-CB 4.3Å
288	I	31.2	Very low	46.2	Very low	126 Å²	126	104.9 Å²	104.9	65%	0.646	62%	0.624	S	S	*	*			trans	-124.6	123.6	142.1	-58.9	-178.1	0	0	0	108.5	T206	T206-I288 HydrophobicContact CG2-CD1 4.32Å
289	S	29.3	Very low	43.7	Very low	113 Å²	113	105.6 Å²	105.6	79%	0.79	64%	0.64	S	S	*	*			trans	-84.9	113.4	-174.5	-58.8	0	0	0	0	112
290	T	28.7	Very low	41.1	Very low	120 Å²	120	108 Å²	108	74%	0.736	65%	0.65	S	S	*	*			trans	-81.3	128.7	165.8	-13.8	0	0	0	0	109.8	N292	T290-N292 PolarHBondContact O-N 3.01Å
291	P	27.6	Very low	38.5	Very low	115 Å²	115	115 Å²	115	75%	0.747	68%	0.683	S	S	*	*			trans	-81.2	82.4	-177.9	32.2	-35.3	0	0	0	111.9	S293	P291-S293 PolarHBondContact O-N 3.36Å; P291-S293 VanDerWaalsContact O-N 3.13Å
292	N	31.2	Very low	36.1	Very low	157 Å²	157	114.8 Å²	114.8	84%	0.84	69%	0.689	S	S	*	*			trans	-66.7	111.1	171.6	-80.1	2.3	0	0	0	110.6	T290	T290-N292 PolarHBondContact O-N 3.01Å
293	S	29	Very low	33.7	Very low	112 Å²	112	113.1 Å²	113.1	78%	0.783	69%	0.693	S	S	*	*			trans	-81.8	157.1	173.1	-68.2	0	0	0	0	111.9	P291	P291-S293 PolarHBondContact O-N 3.36Å; P291-S293 VanDerWaalsContact O-N 3.13Å
294	A	28	Very low	32.1	Very low	94 Å²	94	116.2 Å²	116.2	78%	0.777	71%	0.713	S	S	*	*			trans	64.4	111.7	168	0	0	0	0	0	117.8
295	M	31.1	Very low	31.2	Very low	188 Å²	188	124.4 Å²	124.4	93%	0.926	73%	0.733	S	S	*	*				-165.2	130.5	117.2	-99.5	-59.3	165.2	0	0	108.9
296	N	27.8	Very low	31.2	Very low	149 Å²	149	127.4 Å²	127.4	80%	0.797	74%	0.744	S	S	*	*			trans	-161.5	143.6	169.7	-161.1	7.9	0	0	0	111.9
297	S	32.1	Very low	31.4	Very low	114 Å²	114	126.9 Å²	126.9	80%	0.797	74%	0.741	S	S	*	*			trans	69.8	132.3	-175.9	-29.6	0	0	0	0	115.2
298	G	29	Very low	31.9	Very low	64 Å²	64	128 Å²	128	66%	0.66	75%	0.746	S	S	*	*			cis	153.9	151.2	-11.7	0	0	0	0	0	113.7
299	S	33.5	Very low	32.1	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	74%	0.744	S	S	*	*			trans	70.9	154	172.4	88.6	0	0	0	0	115.6
300	N	34.7	Very low	32.5	Very low	123 Å²	123	128 Å²	128	66%	0.658	74%	0.739	S	S	*	*			cis	-164.7	136.4	-3.8	-126.8	-13.5	0	0	0	111.4
301	Q	33.5	Very low	32.8	Very low	158 Å²	158	128.5 Å²	128.5	74%	0.738	74%	0.736	S	S	*	*			trans	63.5	161.1	140.9	-70.4	179	58.8	0	0	119.5
302	V	34	Very low	33.1	Very low	103 Å²	103	128.6 Å²	128.6	62%	0.624	73%	0.734	S	S	*	*			cis	-156.5	137.9	3.5	98.7	0	0	0	0	114.3
303	T	31.2	Very low	33.2	Very low	131 Å²	131	128.2 Å²	128.2	80%	0.804	73%	0.727	S	S	*	*			trans	60.2	166	158.3	73.7	0	0	0	0	119.8
304	S	34.9	Very low	33.4	Very low	88 Å²	88	128.1 Å²	128.1	62%	0.615	72%	0.718	S	S	*	*			cis	-153.4	146.2	7.6	71.9	0	0	0	0	114.7
305	R	33	Very low	33.9	Very low	223 Å²	223	130.8 Å²	130.8	84%	0.842	72%	0.718	S	S	*	*			trans	63.6	146	135.6	-77.2	175.6	-177.7	159.6	1.3	120.3
306	L	36.7	Very low	34.2	Very low	134 Å²	134	127.2 Å²	127.2	70%	0.702	71%	0.708	S	S	*	*			cis	-134	149.8	-0.8	-72.4	98.8	0	0	0	110.8
307	D	36.5	Very low	34.7	Very low	129 Å²	129	125.6 Å²	125.6	69%	0.69	71%	0.706	S	S	*	*				39.9	142.8	119.4	-39.6	-3.4	0	0	0	118.5
308	D	37.3	Very low	34.5	Very low	131 Å²	131	127.5 Å²	127.5	70%	0.701	71%	0.708	S	S	*	*			cis	-169.7	165.6	17	-129.1	22.3	0	0	0	108.9
309	N	35.8	Very low	34.6	Very low	111 Å²	111	129.7 Å²	129.7	59%	0.594	71%	0.708	S	S	*	*			cis	-168.2	-171	-11.2	-142.6	-30.8	0	0	0	111.6
310	L	36.5	Very low	34.3	Very low	130 Å²	130	129.6 Å²	129.6	68%	0.681	71%	0.707	S	S	*	*			trans	32.5	139.8	147.1	-57.9	-176.7	0	0	0	121.6
311	L	34.7	Very low	34	Very low	130 Å²	130	133.6 Å²	133.6	68%	0.681	71%	0.714	S	S	*	*			cis	-161.4	137.3	1	-99.9	162.6	0	0	0	108.1
312	V	34.2	Very low	33.7	Very low	117 Å²	117	133.3 Å²	133.3	71%	0.709	72%	0.716	S	S	*	*				72.5	139.4	102	118.5	0	0	0	0	115.5
313	E	33.2	Very low	33.5	Very low	148 Å²	148	136.1 Å²	136.1	69%	0.692	72%	0.723	S	S	*	*			cis	-153.5	165.1	25.3	-127.3	-179.4	129.1	0	0	113.9
314	N	33.5	Very low	33.1	Very low	111 Å²	111	137.2 Å²	137.2	59%	0.594	72%	0.724	S	S	*	*			trans	48.3	119.7	152.2	-54.9	-30.9	0	0	0	121.5
315	I	38.9	Very low	32.8	Very low	150 Å²	150	138.9 Å²	138.9	77%	0.769	72%	0.724	S	S	*	*			cis	76.4	133.8	21.2	-39.8	158.7	0	0	0	113.6
316	P	37.7	Very low	32.5	Very low	112 Å²	112	134 Å²	134	73%	0.727	72%	0.724	S	S	*	*			cis	-137.3	-133.1	-45.6	44.6	-23.6	0	0	0	109.5
317	P	37.4	Very low	32.2	Very low	115 Å²	115	133 Å²	133	75%	0.747	73%	0.729	S	S	*	*			cis	-127.5	-169.5	-38.7	39.5	-23.2	0	0	0	114
318	N	28.3	Very low	31.9	Very low	155 Å²	155	133.8 Å²	133.8	83%	0.829	74%	0.738	S	S	*	*			trans	106	165	149.3	-153.5	13.5	0	0	0	117.8
319	V	31.3	Very low	31.3	Very low	110 Å²	110	136.6 Å²	136.6	67%	0.667	75%	0.747	S	S	*	*			trans	83.5	106.1	-175.7	-169.7	0	0	0	0	115.4
320	S	26.6	Very low	30.9	Very low	112 Å²	112	137 Å²	137	78%	0.783	76%	0.759	S	S	*	*			trans	-62	141.3	168.3	51.4	0	0	0	0	113.1
321	Y	28.4	Very low	30.2	Very low	208 Å²	208	139.1 Å²	139.1	82%	0.816	77%	0.765	S	S	*	*			trans	-116.7	132.2	168.3	-102.6	-95.5	0	0	0	112.5
322	I	26.7	Very low	30	Very low	152 Å²	152	138.7 Å²	138.7	78%	0.779	77%	0.773	S	S	*	*			trans	-90.5	121.1	165.9	-65.2	170.5	0	0	0	106.7	N324	I322-N324 PolarHBondContact O-N 3.33Å
323	Q	29.9	Very low	29.5	Very low	162 Å²	162	142.2 Å²	142.2	76%	0.757	78%	0.775	S	S	*	*			trans	-91.6	97.7	176.3	-78.4	-179	-48.3	0	0	111.4	I325	Q323-I325 HydrophobicContact CB-CG1 4.46Å; Q323-I325 HydrophobicContact CG-CD1 4.48Å
324	N	23.8	Very low	29.2	Very low	154 Å²	154	142.4 Å²	142.4	82%	0.824	78%	0.779	S	S	*	*			trans	-86.8	126.1	145.3	-79.2	-20.1	0	0	0	107.3	I322	I322-N324 PolarHBondContact O-N 3.33Å
325	I	29.4	Very low	29	Very low	123 Å²	123	142.8 Å²	142.8	63%	0.631	79%	0.79	S	S	*	*			trans	-130	113	170.8	-61.4	-179.4	0	0	0	108.7	Q323	Q323-I325 HydrophobicContact CB-CG1 4.46Å; Q323-I325 HydrophobicContact CG-CD1 4.48Å
326	S	26.2	Very low	28.5	Very low	120 Å²	120	138.5 Å²	138.5	84%	0.839	78%	0.784	S	S	*	*			trans	-91.8	134.1	158.2	-56.8	0	0	0	0	107.8
327	S	29.2	Very low	28.1	Very low	114 Å²	114	141.7 Å²	141.7	80%	0.797	79%	0.794	S	S	*	*			trans	-95.5	111.6	-173.1	-58.2	0	0	0	0	112.3
328	T	30.2	Very low	27.8	Very low	144 Å²	144	139.8 Å²	139.8	88%	0.883	80%	0.795	S	S	*	*			trans	-129.4	153.9	157.9	47.7	0	0	0	0	109.6
329	Q	25.3	Very low	27.7	Very low	190 Å²	190	137.8 Å²	137.8	89%	0.888	79%	0.789	S	S	*	*			trans	-79.5	146.2	-158.6	-63.6	159.8	-12.4	0	0	113.8
330	S	27.5	Very low	27.5	Very low	121 Å²	121	140 Å²	140	85%	0.846	80%	0.795	S	S	*	*			trans	-160.5	129.1	157.4	-72.9	0	0	0	0	108.8
331	E	22.2	Very low	27.4	Very low	173 Å²	173	140.8 Å²	140.8	81%	0.808	79%	0.791	S	S	*	*			trans	-93.6	144.5	-177	-60.9	177.5	123.8	0	0	111.8
332	S	29.5	Very low	27.3	Very low	121 Å²	121	140.9 Å²	140.9	85%	0.846	79%	0.791	S	S	*	*			trans	-155.7	106	164.6	-57.6	0	0	0	0	111.6
333	Y	25	Very low	27.3	Very low	192 Å²	192	139.4 Å²	139.4	75%	0.753	79%	0.789	S	S	*	*			trans	-43	150	173.2	-69.5	-92.7	0	0	0	118.5
334	I	27.3	Very low	27.1	Very low	152 Å²	152	140.7 Å²	140.7	78%	0.779	80%	0.795	S	S	*	*			trans	63.7	136.8	139.2	-66.4	166.4	0	0	0	116.8
335	S	28.1	Very low	27.3	Very low	118 Å²	118	137.9 Å²	137.9	83%	0.825	79%	0.793	S	S	*	*			cis	-153.9	175.6	-10.6	-113	0	0	0	0	105.3
336	G	29.5	Very low	27.2	Very low	61 Å²	61	137.5 Å²	137.5	63%	0.629	80%	0.801	S	S	*	*			cis	160.1	154.1	5.8	0	0	0	0	0	108.1
337	D	29.3	Very low	27.4	Very low	178 Å²	178	137.1 Å²	137.1	95%	0.952	80%	0.799	S	S	*	*			trans	60.8	155.5	-176	-79.7	-49.9	0	0	0	118.6
338	G	29.8	Very low	27.3	Very low	75 Å²	75	137.5 Å²	137.5	77%	0.773	80%	0.796	S	S	*	*			trans	142.7	4.5	-176.4	0	0	0	0	0	116.4
339	T	27	Very low	27.3	Very low	114 Å²	114	138 Å²	138	70%	0.699	79%	0.793	S	S	*	*			trans	-70	127.1	-178.2	-55.2	0	0	0	0	113	L341	T339-L341 HydrophobicContact CG2-CG 4.38Å
340	I	27.3	Very low	27.4	Very low	155 Å²	155	134.7 Å²	134.7	80%	0.795	79%	0.786	S	S	*	*			trans	-130.5	111.3	149.3	-58.9	-177.1	0	0	0	109.6
341	L	24.4	Very low	27.7	Very low	130 Å²	130	134.5 Å²	134.5	68%	0.681	78%	0.781	S	S	*	*			trans	-115.5	135.1	161.4	-71.9	167.7	0	0	0	107.2	T339	T339-L341 HydrophobicContact CG2-CG 4.38Å
342	Y	25.4	Very low	28	Very low	210 Å²	210	132.6 Å²	132.6	82%	0.824	78%	0.782	S	S	*	*			trans	-155.5	109.5	148.8	-72.5	-59.8	0	0	0	106.7
343	T	26.5	Very low	27.9	Very low	120 Å²	120	134 Å²	134	74%	0.736	78%	0.779	S	S	*	*				89.9	150	51.4	64.9	0	0	0	0	114.6
344	E	25.7	Very low	28.1	Very low	190 Å²	190	131.7 Å²	131.7	89%	0.888	78%	0.779	S	S	*	*			trans	-90.8	158.8	-168.8	-51	153.1	119.7	0	0	113.8
345	A	28.8	Very low	28.1	Very low	95 Å²	95	133.5 Å²	133.5	79%	0.785	78%	0.776	S	S	*	*			trans	-160.8	128.7	145.2	0	0	0	0	0	108
346	S	27.4	Very low	28.1	Very low	114 Å²	114	137.1 Å²	137.1	80%	0.797	77%	0.772	S	S	*	*			cis	90.2	92.8	40.2	-65	0	0	0	0	114.8
347	S	31.2	Very low	28.3	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	76%	0.763	S	S	*	*			trans	-175.7	131.5	141.4	47.7	0	0	0	0	109.3
348	T	26.2	Very low	28.5	Very low	121 Å²	121	136.7 Å²	136.7	74%	0.742	75%	0.752	S	S	*	*			cis	110.2	148.7	27.7	-68.7	0	0	0	0	110.8
349	L	30.7	Very low	28.6	Very low	155 Å²	155	144 Å²	144	81%	0.812	76%	0.756	S	S	*	*			trans	98.5	142	175.7	-54.6	174	0	0	0	116.4
350	T	26.7	Very low	28.9	Very low	121 Å²	121	143.4 Å²	143.4	74%	0.742	75%	0.754	S	S	*	*				-168.9	164.8	-57	22.9	0	0	0	0	109.4
351	P	34.6	Very low	29	Very low	116 Å²	116	145.8 Å²	145.8	75%	0.753	76%	0.759	S	S	*	*			trans	-119.9	166.8	-160.9	42.4	-32.7	0	0	0	117.5
352	T	28.2	Very low	29.1	Very low	133 Å²	133	147.9 Å²	147.9	82%	0.816	77%	0.765	S	S	*	*			trans	-167.3	157.4	166.6	34.7	0	0	0	0	111.2
353	L	26.4	Very low	29.5	Very low	152 Å²	152	146 Å²	146	80%	0.796	77%	0.768	S	S	*	*			cis	-174.9	178.8	-36.7	-121	-178.7	0	0	0	110.3
354	L	29.5	Very low	29.4	Very low	143 Å²	143	147.1 Å²	147.1	75%	0.749	77%	0.77	S	S	*	*			trans	78.9	131.8	169.6	-58.5	176.6	0	0	0	117
355	R	27.2	Very low	29.8	Very low	189 Å²	189	144.7 Å²	144.7	71%	0.713	77%	0.768	S	S	*	*			cis	102.3	151.6	45.3	-108.6	-173.3	147.6	130	0.9	110.9	E357	R355-E357 IonicContact CZ-OE1 2.68Å; R355-E357 VanDerWaalsContact CZ-OE1 3.25Å; R355-E357 IonicContact NE-OE1 2.91Å; R355-E357 PolarHBondContact NE-OE1 3.09Å; R355-E357 IonicContact NH2-OE1 3.35Å; R355-E357 PolarHBondContact NH2-OE1 3.5Å
356	R	29	Very low	29.6	Very low	195 Å²	195	143.9 Å²	143.9	74%	0.736	77%	0.768	S	S	*	*			cis	-160.5	174.4	19.9	-113.8	-167.7	140.8	167.8	-12.2	108.3
357	E	33.2	Very low	29.6	Very low	95 Å²	95	149.4 Å²	149.4	44%	0.444	77%	0.772	S	S	.	*			cis	-173.9	173.2	-31.6	-120.7	163.4	-120	0	0	107.6	R355	R355-E357 IonicContact CZ-OE1 2.68Å; R355-E357 VanDerWaalsContact CZ-OE1 3.25Å; R355-E357 IonicContact NE-OE1 2.91Å; R355-E357 PolarHBondContact NE-OE1 3.09Å; R355-E357 IonicContact NH2-OE1 3.35Å; R355-E357 PolarHBondContact NH2-OE1 3.5Å
358	N	34.5	Very low	29.5	Very low	135 Å²	135	153.3 Å²	153.3	72%	0.722	78%	0.775	S	S	*	*			trans	85.8	143.5	167.5	-54.5	-52.6	0	0	0	120.2
359	R	31.1	Very low	29.6	Very low	228 Å²	228	153.6 Å²	153.6	86%	0.86	77%	0.772	S	S	*	*			cis	-155.9	170.2	-13.6	-110.1	-155	-171.9	-142.7	0.2	112.2
360	P	32.4	Very low	29.7	Very low	101 Å²	101	149.6 Å²	149.6	66%	0.656	75%	0.75	S	S	*	*			trans	-114.2	-176.7	-160.7	44.5	-38.1	0	0	0	116.1
361	F	30.1	Very low	30	Very low	205 Å²	205	150.2 Å²	150.2	90%	0.899	75%	0.748	S	S	*	*			trans	-146.6	162.7	146	-102.5	-73.1	0	0	0	111.1
362	E	26.3	Very low	29.8	Very low	174 Å²	174	151.7 Å²	151.7	81%	0.813	75%	0.75	S	S	*	*			trans	-104.5	163.5	-169.4	-60.9	159.7	114.2	0	0	113.5
363	I	33.5	Very low	29.9	Very low	172 Å²	172	149.3 Å²	149.3	88%	0.882	74%	0.744	S	S	*	*				-163.6	150	125.7	-99.7	156.6	0	0	0	109.2
364	D	25.1	Very low	30	Very low	143 Å²	143	147.5 Å²	147.5	77%	0.765	74%	0.741	S	S	*	*			trans	-92.1	143.3	-170.4	179.6	25.1	0	0	0	113.4
365	T	32.9	Very low	29.9	Very low	139 Å²	139	145.9 Å²	145.9	85%	0.853	73%	0.732	S	S	*	*			trans	-170	108.3	152.3	0.8	0	0	0	0	110.2
366	G	25.6	Very low	30	Very low	77 Å²	77	142 Å²	142	79%	0.794	72%	0.722	S	S	*	*			trans	-80.3	134.8	-173.5	0	0	0	0	0	116.1
367	R	28.1	Very low	30.1	Very low	231 Å²	231	139.3 Å²	139.3	87%	0.872	72%	0.718	S	S	*	*			trans	-146.7	148	156.9	-162.3	172.4	-174.9	173.8	0.1	109.2	D369	R367-D369 PolarHBondContact O-N 3.42Å
368	F	27.4	Very low	29.9	Very low	195 Å²	195	137.8 Å²	137.8	86%	0.855	72%	0.715	S	S	*	*			trans	-84.2	108.6	179.8	-90.2	-104.9	0	0	0	111.2	I370	F368-I370 HydrophobicContact CD1-CD1 4.11Å
369	D	29.2	Very low	29.8	Very low	126 Å²	126	133.3 Å²	133.3	67%	0.674	69%	0.694	S	S	*	*			trans	-100.3	100.1	177.6	-74.5	-29	0	0	0	112.1	R367	R367-D369 PolarHBondContact O-N 3.42Å
370	I	33.9	Very low	30	Very low	71 Å²	71	126.7 Å²	126.7	36%	0.364	67%	0.674	S	S	.	*			trans	-120.6	24.8	177.2	-58.6	152.8	0	0	0	110.5	D245 F368	D245-I370 HydrophobicContact CB-CD1 3.81Å; D245-I370 HydrophobicContact CB-CG2 4.22Å; F368-I370 HydrophobicContact CD1-CD1 4.11Å
371	L	31	Very low	30.5	Very low	134 Å²	134	124.6 Å²	124.6	70%	0.702	65%	0.654	S	S	*	*			trans	-114.6	-5.4	-169.6	-64.7	176	0	0	0	115.4	M551	L371-M551 HydrophobicContact CD1-CE 4.24Å
372	N	31.3	Very low	30.7	Very low	147 Å²	147	120.8 Å²	120.8	79%	0.786	63%	0.634	S	S	*	*			trans	-105.8	24.9	-171.9	-69.2	-27.2	0	0	0	114.8
373	A	30.8	Very low	31.2	Very low	83 Å²	83	115 Å²	115	69%	0.686	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-84.8	118.3	172.7	0	0	0	0	0	110.3	I375	A373-I375 PolarHBondContact O-N 2.88Å
374	P	27.4	Very low	31.3	Very low	115 Å²	115	108 Å²	108	75%	0.747	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-69.1	119.8	-175.2	26.3	-33.9	0	0	0	111.7	Q376	P374-Q376 PolarHBondContact O-N 3.45Å
375	I	28.4	Very low	31.7	Very low	109 Å²	109	101.9 Å²	101.9	56%	0.559	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-65.1	116.4	171	-60.5	176.1	0	0	0	108.1	A373 Q377	A373-I375 PolarHBondContact O-N 2.88Å; I375-Q377 PolarHBondContact O-N 2.84Å
376	Q	29.8	Very low	32.1	Very low	108 Å²	108	98 Å²	98	51%	0.505	52%	0.521	S	S	.	.			trans	-78.1	84.1	179.5	-79.7	-172.2	-35	0	0	111.5	R241 P374 T378	R241-Q376 VanDerWaalsContact CZ-OE1 3.24Å; P374-Q376 PolarHBondContact O-N 3.45Å; Q376-T378 PolarHBondContact O-N 3.49Å; Q376-T378 VanDerWaalsContact O-N 3.11Å
377	Q	30	Very low	33	Very low	137 Å²	137	94.5 Å²	94.5	64%	0.64	48%	0.484	S	S	*	.			trans	-59.8	110.4	168.8	-177.8	-177.9	-20.5	0	0	110.3	I375 S379	I375-Q377 PolarHBondContact O-N 2.84Å; Q377-S379 PolarHBondContact NE2-OG 3.12Å
378	T	29.9	Very low	34	Very low	63 Å²	63	86.7 Å²	86.7	39%	0.387	46%	0.462	S	S	.	.			trans	-123	60.1	174.2	52.5	0	0	0	0	110.6	K237 Q376 E380	K237-T378 PolarHBondContact NZ-OG1 2.97Å; Q376-T378 PolarHBondContact O-N 3.49Å; Q376-T378 VanDerWaalsContact O-N 3.11Å; T378-E380 PolarHBondContact O-N 2.96Å
379	S	31.9	Very low	34.9	Very low	41 Å²	41	81.1 Å²	81.1	29%	0.287	45%	0.445	S	S	.	.			trans	-74.6	80.1	-178.5	53.8	0	0	0	0	111.9	Q377 K381	Q377-S379 PolarHBondContact NE2-OG 3.12Å; S379-K381 PolarHBondContact O-N 2.71Å
380	E	35.6	Very low	35.6	Very low	90 Å²	90	79.4 Å²	79.4	42%	0.421	44%	0.435	S	S	.	.			trans	-76.3	86.5	-179.2	-159.7	-170.6	-171.6	0	0	112.4	T378 R382	T378-E380 PolarHBondContact O-N 2.96Å; E380-R382 VanDerWaalsContact C-N 3.26Å; E380-R382 HydrophobicContact CG-CG 4.09Å; E380-R382 PolarHBondContact O-N 2.86Å; E380-R382 IonicContact OE1-CZ 2.68Å; E380-R382 IonicContact OE1-NE 3.25Å; E380-R382 PolarHBondContact OE1-NE 3.09Å; E380-R382 IonicContact OE1-NH2 3.4Å; E380-R382 PolarHBondContact OE1-NH2 3.3Å; E380-R382 IonicContact OE2-CZ 3.53Å; E380-R382 IonicContact OE2-NE 2.86Å; E380-R382 PolarHBondContact OE2-NE 3.15Å; E380-R382 IonicContact OE2-NH2 3.44Å; E380-R382 PolarHBondContact OE2-NH2 3.4Å
381	K	42	Very low	35.8	Very low	57 Å²	57	78.7 Å²	78.7	25%	0.248	45%	0.445	C	S	.	.			trans	-67	70.9	176.2	-68.9	-178.9	178.1	175.6	0	112.7	D212 S379	D212-K381 IonicContact OD2-NZ 2.69Å; D212-K381 PolarHBondContact OD2-NZ 3.41Å; S379-K381 PolarHBondContact O-N 2.71Å
382	R	34.4	Very low	35.8	Very low	125 Å²	125	82.3 Å²	82.3	47%	0.472	46%	0.455	S	S	.	.			trans	-82.7	112.8	169.6	-68.4	-166.1	-173.2	175	12.3	111.3	K235 E380	K235-R382 HydrophobicContact CD-CB 4.2Å; K235-R382 WeakPolarHBondContact CE-O 3.25Å; K235-R382 VanDerWaalsContact CG-O 3.26Å; K235-R382 WeakPolarHBondContact CG-O 3.46Å; E380-R382 VanDerWaalsContact C-N 3.26Å; E380-R382 HydrophobicContact CG-CG 4.09Å; E380-R382 PolarHBondContact O-N 2.86Å; E380-R382 IonicContact OE1-CZ 2.68Å; E380-R382 IonicContact OE1-NE 3.25Å; E380-R382 PolarHBondContact OE1-NE 3.09Å; E380-R382 IonicContact OE1-NH2 3.4Å; E380-R382 PolarHBondContact OE1-NH2 3.3Å; E380-R382 IonicContact OE2-CZ 3.53Å; E380-R382 IonicContact OE2-NE 2.86Å; E380-R382 PolarHBondContact OE2-NE 3.15Å; E380-R382 IonicContact OE2-NH2 3.44Å; E380-R382 PolarHBondContact OE2-NH2 3.4Å
383	T	36.8	Very low	35.7	Very low	53 Å²	53	79.6 Å²	79.6	33%	0.325	44%	0.444	S	S	.	.			trans	-96.6	130.7	179.7	-85.1	0	0	0	0	113	R232 V233 V385	R232-T383 HydrophobicContact CG-CG2 3.78Å; R232-T383 VanDerWaalsContact CZ-OG1 3.23Å; R232-T383 PolarHBondContact NH1-OG1 3.46Å; R232-T383 PolarHBondContact NH2-OG1 3.02Å; V233-T383 WeakPolarHBondContact O-CA 3.46Å; V233-T383 VanDerWaalsContact O-CB 3.3Å; V233-T383 WeakPolarHBondContact O-CB 3.37Å; V233-T383 WeakPolarHBondContact O-CG2 3.12Å; V233-T383 PolarHBondContact O-OG1 3.41Å; T383-V385 HydrophobicContact CG2-CG2 3.55Å
384	C	35.6	Very low	35.5	Very low	25 Å²	25	81 Å²	81	17%	0.169	45%	0.449	C	S	.	.			trans	-101.3	151.8	157.4	-177.9	0	0	0	0	108.4	V233	V233-C384 WeakPolarHBondContact CA-O 3.16Å; V233-C384 HydrophobicContact CB-CB 3.95Å; V233-C384 VanDerWaalsContact CB-O 3.26Å; V233-C384 WeakPolarHBondContact CB-O 3.48Å; V233-C384 HydrophobicContact CG2-CB 3.99Å; V233-C384 PolarHBondContact N-O 2.75Å
385	V	33.2	Very low	35.8	Very low	13 Å²	13	82.2 Å²	82.2	8%	0.079	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.6	-176	158.2	0	0	0	0	108.9	F159 Y163 S231 R232 T383 T387	F159-V385 HydrophobicContact CE1-CG1 3.82Å; F159-V385 HydrophobicContact CE1-CG2 4.49Å; F159-V385 HydrophobicContact CE2-CG2 4.18Å; F159-V385 HydrophobicContact CZ-CB 4.17Å; F159-V385 HydrophobicContact CZ-CG1 3.6Å; F159-V385 HydrophobicContact CZ-CG2 3.53Å; Y163-V385 HydrophobicContact CD2-CB 4.18Å; Y163-V385 HydrophobicContact CD2-CG1 3.85Å; Y163-V385 HydrophobicContact CE2-CB 4.33Å; Y163-V385 HydrophobicContact CE2-CG1 4.24Å; Y163-V385 WeakPolarHBondContact CE2-O 3.47Å; Y163-V385 HydrophobicContact CG-CG1 4.26Å; Y163-V385 PolarHBondContact OH-O 2.96Å; Y163-V385 VanDerWaalsContact OH-O 3.06Å; S231-V385 VanDerWaalsContact O-CA 3.31Å; S231-V385 WeakPolarHBondContact O-CA 3.46Å; S231-V385 WeakPolarHBondContact O-CG1 3.33Å; R232-V385 HydrophobicContact CB-CG2 4.41Å; R232-V385 HydrophobicContact CG-CG2 4.49Å; T383-V385 HydrophobicContact CG2-CG2 3.55Å; V385-T387 HydrophobicContact CG1-CG2 3.51Å
386	T	42.9	Very low	35.7	Very low	59 Å²	59	85.7 Å²	85.7	36%	0.362	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129	163.8	-55.3	0	0	0	0	109.5	S231 T388	S231-T386 PolarHBondContact N-O 2.69Å; S231-T386 PolarHBondContact O-N 3.05Å; T386-T388 HydrophobicContact CG2-CG2 4.45Å
387	T	44.4	Very low	35.8	Very low	3 Å²	3	86.3 Å²	86.3	2%	0.018	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.9	177.2	90.8	0	0	0	0	111.1	F159 R160 Y163 S229 I230 V385	F159-T387 HydrophobicContact CE1-CG2 4.13Å; R160-T387 HydrophobicContact CG-CG2 4.42Å; R160-T387 VanDerWaalsContact CZ-OG1 3.25Å; R160-T387 PolarHBondContact NH2-O 2.95Å; R160-T387 PolarHBondContact NH2-OG1 3.23Å; Y163-T387 HydrophobicContact CD1-CG2 4.09Å; Y163-T387 HydrophobicContact CG-CG2 4.17Å; S229-T387 WeakPolarHBondContact O-CA 3.28Å; S229-T387 WeakPolarHBondContact O-CB 3.47Å; I230-T387 HydrophobicContact CG1-CG2 4.12Å; V385-T387 HydrophobicContact CG1-CG2 3.51Å
388	T	49.1	Very low	35.6	Very low	67 Å²	67	85.6 Å²	85.6	41%	0.411	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.9	-175.9	51.4	0	0	0	0	112.9	S229 T386	S229-T388 PolarHBondContact N-O 3.4Å; S229-T388 PolarHBondContact O-N 2.98Å; S229-T388 PolarHBondContact OG-OG1 2.74Å; T386-T388 HydrophobicContact CG2-CG2 4.45Å
389	P	45.6	Very low	35.7	Very low	77 Å²	77	88 Å²	88	50%	0.5	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	143.3	168.9	33.7	-32.6	0	0	0	111	G391	P389-G391 PolarHBondContact O-N 2.67Å
390	I	43	Very low	35.5	Very low	90 Å²	90	92 Å²	92	46%	0.462	51%	0.513	S	S	.	.			trans	-79.1	109.5	-180	-59.2	178.5	0	0	0	110.5	K227 K392 P694	K227-I390 WeakPolarHBondContact O-CD1 3.41Å; K227-I390 WeakPolarHBondContact O-CG1 3.38Å; I390-K392 PolarHBondContact O-N 3.29Å; I390-P694 HydrophobicContact CD1-CB 4.25Å; I390-P694 HydrophobicContact CD1-CG 4.02Å
391	G	38.6	Very low	35.5	Very low	57 Å²	57	94.3 Å²	94.3	59%	0.588	53%	0.533	S	S	*	.			trans	-65.1	125.3	169.4	0	0	0	0	0	112.1	P389 T393	P389-G391 PolarHBondContact O-N 2.67Å; G391-T393 PolarHBondContact O-N 2.93Å
392	K	31.9	Very low	34.9	Very low	210 Å²	210	97.9 Å²	97.9	91%	0.913	56%	0.555	S	S	*	*			trans	-86.1	101.8	170.9	-69.6	179.2	-177.4	171	0	110	I390 S394	I390-K392 PolarHBondContact O-N 3.29Å; K392-S394 PolarHBondContact O-N 3.31Å
393	T	28.3	Very low	35	Very low	90 Å²	90	99.2 Å²	99.2	55%	0.552	57%	0.571	S	S	*	*			trans	-71.6	123.9	165	42.6	0	0	0	0	109.9	G391 H395	G391-T393 PolarHBondContact O-N 2.93Å; T393-H395 WeakPolarHBondContact CB-NE2 3.49Å; T393-H395 PolarHBondContact O-CD2 3.12Å; T393-H395 PolarHBondContact O-N 3.3Å; T393-H395 PolarHBondContact OG1-CD2 3.1Å; T393-H395 PolarHBondContact OG1-NE2 2.87Å
394	S	26.6	Very low	34.8	Very low	112 Å²	112	103.4 Å²	103.4	78%	0.783	59%	0.591	S	S	*	*			trans	-76.8	110.2	167.7	-173.2	0	0	0	0	108.6	K392 H396	K392-S394 PolarHBondContact O-N 3.31Å; S394-H396 PolarHBondContact O-N 3.45Å
395	H	33.3	Very low	34.7	Very low	141 Å²	141	108 Å²	108	65%	0.653	62%	0.62	S	S	*	*			trans	-93.1	95.6	175.9	-73.7	-81.9	0	0	0	110.3	T393 T397	T393-H395 WeakPolarHBondContact CB-NE2 3.49Å; T393-H395 PolarHBondContact O-CD2 3.12Å; T393-H395 PolarHBondContact O-N 3.3Å; T393-H395 PolarHBondContact OG1-CD2 3.1Å; T393-H395 PolarHBondContact OG1-NE2 2.87Å; H395-T397 PolarHBondContact O-N 3.32Å
396	H	26.9	Very low	34.7	Very low	182 Å²	182	114.5 Å²	114.5	84%	0.843	65%	0.654	S	S	*	*			trans	-67.7	109.2	157.1	-101.4	-83.6	0	0	0	108.6	S394	S394-H396 PolarHBondContact O-N 3.45Å
397	T	32	Very low	34.2	Very low	120 Å²	120	118.6 Å²	118.6	74%	0.736	67%	0.674	S	S	*	*			trans	-142.4	102.9	167	-47.7	0	0	0	0	110	H395	H395-T397 PolarHBondContact O-N 3.32Å
398	T	25	Very low	33.8	Very low	123 Å²	123	122.3 Å²	122.3	76%	0.755	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-82.7	133.8	170.7	-26.8	0	0	0	0	109.9
399	P	31.8	Very low	33.2	Very low	114 Å²	114	126.7 Å²	126.7	74%	0.74	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-102.1	139.4	153.4	33.7	-27.6	0	0	0	110.5
400	V	28.8	Very low	32.7	Very low	124 Å²	124	128.3 Å²	128.3	75%	0.752	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-83.1	130.5	-179.7	174.8	0	0	0	0	110.6
401	V	36.5	Very low	32.3	Very low	138 Å²	138	132.1 Å²	132.1	84%	0.836	73%	0.733	S	S	*	*			trans	-138.8	120.9	156.1	-176.7	0	0	0	0	107.7
402	N	28.2	Very low	32.1	Very low	133 Å²	133	134.1 Å²	134.1	71%	0.711	74%	0.738	S	S	*	*			trans	-76.2	145.2	170.5	-74.1	-24.7	0	0	0	110.2
403	L	36.1	Very low	32.1	Very low	152 Å²	152	131.6 Å²	131.6	80%	0.796	74%	0.735	S	S	*	*				-159.1	124.2	121.4	-128.9	74.1	0	0	0	111.1
404	D	32.9	Very low	32.8	Very low	142 Å²	142	132.4 Å²	132.4	76%	0.759	74%	0.742	S	S	*	*			trans	52.6	127	155.9	-51.9	-25.5	0	0	0	122.4
405	P	32.8	Very low	33.2	Very low	120 Å²	120	132.9 Å²	132.9	78%	0.779	74%	0.74	S	S	*	*			trans	-103.1	167.9	178.3	40.9	-35.5	0	0	0	113.8
406	L	34.9	Very low	33.3	Very low	151 Å²	151	131.7 Å²	131.7	79%	0.791	74%	0.743	S	S	*	*			trans	-158.4	113.7	159.9	-111.6	164.7	0	0	0	111.9
407	N	32.4	Very low	33.6	Very low	144 Å²	144	128.2 Å²	128.2	77%	0.77	74%	0.735	S	S	*	*			trans	51.7	147.9	147.2	-68.6	6.3	0	0	0	121.9
408	S	34.4	Very low	33.7	Very low	82 Å²	82	129.2 Å²	129.2	57%	0.573	74%	0.74	S	S	*	*			cis	-179.2	153.9	-11.3	51.4	0	0	0	0	110.6
409	H	37.2	Very low	34.2	Very low	158 Å²	158	130.4 Å²	130.4	73%	0.731	74%	0.739	S	S	*	*			trans	65.1	157.8	162.5	-63.8	-65.9	0	0	0	116.8
410	D	34.4	Very low	34.2	Very low	112 Å²	112	132 Å²	132	60%	0.599	74%	0.741	S	S	*	*			cis	-171.2	174.7	-16.8	-99.4	-3.6	0	0	0	107.4
411	F	35.3	Very low	34.4	Very low	169 Å²	169	130.4 Å²	130.4	74%	0.741	74%	0.736	S	S	*	*			cis	-159.9	149.4	-4.6	-129.6	-52	0	0	0	109.1
412	S	35.6	Very low	34.4	Very low	99 Å²	99	129.9 Å²	129.9	69%	0.692	73%	0.728	S	S	*	*			trans	63.1	161.6	144.7	73.7	0	0	0	0	121.1
413	N	31.6	Very low	34.5	Very low	158 Å²	158	130 Å²	130	85%	0.845	73%	0.729	S	S	*	*			cis	-158.6	172.8	-44.6	-114.7	2.9	0	0	0	110.4
414	P	42.3	Very low	34.5	Very low	107 Å²	107	128 Å²	128	70%	0.695	73%	0.728	S	S	*	*			trans	-110.6	-126.3	-165.9	43.3	-36	0	0	0	115.2
415	T	34.8	Very low	34.7	Very low	122 Å²	122	126 Å²	126	75%	0.748	72%	0.724	S	S	*	*			trans	82.3	144.9	-177.5	-4.7	0	0	0	0	114.1
416	T	35.5	Very low	34.7	Very low	115 Å²	115	129 Å²	129	71%	0.706	73%	0.725	S	S	*	*			cis	-155.2	136.5	19.6	-46.4	0	0	0	0	113.9
417	T	33.6	Very low	34.6	Very low	109 Å²	109	129.1 Å²	129.1	67%	0.669	73%	0.727	S	S	*	*			trans	25.5	147.3	138.7	-27.9	0	0	0	0	121.2
418	V	33.5	Very low	34.7	Very low	142 Å²	142	131.1 Å²	131.1	86%	0.861	73%	0.729	S	S	*	*				-161	171.6	74.1	170.3	0	0	0	0	112.2
419	M	36.4	Very low	34.8	Very low	148 Å²	148	136.2 Å²	136.2	73%	0.729	74%	0.741	S	S	*	*			trans	-108.6	165.7	-160.6	-48.2	170.6	172.2	0	0	116.9
420	N	30.9	Very low	35	Very low	146 Å²	146	133.8 Å²	133.8	78%	0.781	74%	0.739	S	S	*	*			trans	53.4	158.5	136.8	-65.2	10.9	0	0	0	121.1
421	S	33.8	Very low	35.4	Very low	91 Å²	91	133.4 Å²	133.4	64%	0.636	74%	0.743	S	S	*	*			cis	-165.4	165.5	-6	-121.5	0	0	0	0	113.1
422	D	35.2	Very low	35.4	Very low	127 Å²	127	130.6 Å²	130.6	68%	0.679	74%	0.744	S	S	*	*			trans	70	116.4	139	-70.6	36.3	0	0	0	126.4
423	N	31.7	Very low	35.4	Very low	136 Å²	136	132 Å²	132	73%	0.727	75%	0.748	S	S	*	*				80.7	135.4	122	-74.7	-47.6	0	0	0	127
424	S	35.4	Very low	35.6	Very low	111 Å²	111	130.3 Å²	130.3	78%	0.776	74%	0.743	S	S	*	*			trans	78	153.1	147.8	83.5	0	0	0	0	120
425	S	36.3	Very low	35.3	Very low	98 Å²	98	130.1 Å²	130.1	69%	0.685	75%	0.745	S	S	*	*			cis	-163.2	140.3	-15.2	-113.9	0	0	0	0	114.7
426	K	34	Very low	35.3	Very low	183 Å²	183	128.6 Å²	128.6	80%	0.796	74%	0.739	S	S	*	*			trans	33.3	133.2	143.5	-58.8	174.8	-178.3	174.4	0	123.5
427	N	32.8	Very low	35.6	Very low	154 Å²	154	130.6 Å²	130.6	82%	0.824	74%	0.744	S	S	*	*			trans	170.7	157.7	133.6	-91.6	-20	0	0	0	111.4
428	F	34.3	Very low	35.8	Very low	187 Å²	187	130.6 Å²	130.6	82%	0.82	75%	0.746	S	S	*	*			cis	-141.9	-129.8	-17.6	-160.5	-112.1	0	0	0	111.4
429	K	35.9	Very low	35.7	Very low	188 Å²	188	129.3 Å²	129.3	82%	0.817	74%	0.743	S	S	*	*			trans	-154.4	176.4	-169.7	-102.4	-153.7	170.4	-179.9	0	116.6
430	P	42.3	Very low	35.8	Very low	107 Å²	107	128.8 Å²	128.8	70%	0.695	75%	0.748	S	S	*	*			trans	-111	-141.1	-159.7	46.6	-37.8	0	0	0	113
431	P	42.6	Very low	35.9	Very low	105 Å²	105	124.8 Å²	124.8	68%	0.682	74%	0.741	S	S	*	*			cis	-141	-169.8	-13.6	39.1	-17.6	0	0	0	117.9
432	S	34.5	Very low	36	Very low	110 Å²	110	127.8 Å²	127.8	77%	0.769	75%	0.75	S	S	*	*			trans	80.8	157	149.4	85.5	0	0	0	0	118.5
433	V	36.3	Very low	36	Very low	127 Å²	127	129.8 Å²	129.8	77%	0.77	75%	0.752	S	S	*	*			cis	-163.6	149.7	-1.1	102.3	0	0	0	0	114.2
434	V	36.4	Very low	36.1	Very low	123 Å²	123	130.3 Å²	130.3	75%	0.745	75%	0.751	S	S	*	*			trans	70.9	134.4	151.2	166.4	0	0	0	0	125.5
435	S	34.7	Very low	36	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	75%	0.748	S	S	*	*			trans	62.7	159.7	153.1	-79.5	0	0	0	0	123.8
436	S	35.1	Very low	36.1	Very low	90 Å²	90	132.8 Å²	132.8	63%	0.629	76%	0.755	S	S	*	*			cis	-175.6	135.4	-28.2	-92.2	0	0	0	0	111.9
437	I	41	Very low	36.1	Very low	157 Å²	157	127.8 Å²	127.8	81%	0.805	75%	0.749	S	S	*	*			trans	67.1	142.6	143.6	-64.8	168.8	0	0	0	118.6
438	P	38.7	Very low	36.2	Very low	110 Å²	110	129.9 Å²	129.9	71%	0.714	75%	0.75	S	S	*	*			cis	-146.7	171.3	-32	43.7	-23.8	0	0	0	117.8
439	S	32.4	Very low	36.4	Very low	114 Å²	114	127 Å²	127	80%	0.797	74%	0.742	S	S	*	*			trans	65.4	161.7	140.6	-150.1	0	0	0	0	125.2
440	V	37.7	Very low	36.4	Very low	138 Å²	138	126.6 Å²	126.6	84%	0.836	74%	0.741	S	S	*	*			trans	79.7	103.9	162.4	-166.4	0	0	0	0	121.2
441	G	33.5	Very low	36	Very low	62 Å²	62	126.5 Å²	126.5	64%	0.639	74%	0.743	S	S	*	*				110	121.4	111.9	0	0	0	0	0	121.5
442	N	35.8	Very low	35.6	Very low	153 Å²	153	126 Å²	126	82%	0.818	75%	0.748	S	S	*	*			trans	67.5	135	157.5	-57.2	-25.8	0	0	0	117.7
443	K	35.8	Very low	35.5	Very low	169 Å²	169	127.4 Å²	127.4	74%	0.735	75%	0.752	S	S	*	*				69.3	138.1	50.5	-76.9	-177.1	161.9	-96.6	0	113.7
444	E	32	Very low	35.3	Very low	147 Å²	147	132.4 Å²	132.4	69%	0.687	76%	0.758	S	S	*	*			cis	-179.5	133.4	-9.5	171	169.6	-159.7	0	0	109
445	S	35.1	Very low	35.3	Very low	102 Å²	102	130.1 Å²	130.1	71%	0.713	76%	0.76	S	S	*	*			trans	166.1	138.8	149.7	44.5	0	0	0	0	116.4
446	N	36.4	Very low	35.4	Very low	159 Å²	159	131.3 Å²	131.3	85%	0.85	76%	0.763	S	S	*	*			trans	41.1	151.8	132.3	-56.6	-36	0	0	0	123.5
447	A	34.2	Very low	35.4	Very low	79 Å²	79	131.1 Å²	131.1	65%	0.653	76%	0.76	S	S	*	*			cis	-177.3	169	-20.6	0	0	0	0	0	110
448	K	35.9	Very low	35.2	Very low	198 Å²	198	127.3 Å²	127.3	86%	0.861	75%	0.747	S	S	*	*			trans	72.1	156.5	175	-56.8	174.2	174.4	172.3	0	114.1
449	L	39.1	Very low	35.6	Very low	125 Å²	125	126.8 Å²	126.8	65%	0.654	75%	0.746	S	S	*	*			cis	-152	133.4	10.7	-164.4	73.7	0	0	0	111.9
450	K	36.1	Very low	36.4	Very low	180 Å²	180	128.7 Å²	128.7	78%	0.783	74%	0.742	S	S	*	*			trans	51.8	155.3	152.6	-71.9	171.8	-171.2	-179.9	0	120.7
451	S	32.2	Very low	37	Very low	105 Å²	105	124.4 Å²	124.4	73%	0.734	72%	0.719	S	S	*	*			cis	-176.9	123.1	-27.9	51.3	0	0	0	0	110.1
452	A	34	Very low	37.9	Very low	96 Å²	96	125.4 Å²	125.4	79%	0.793	71%	0.712	S	S	*	*			trans	-165.6	132.7	158.3	0	0	0	0	0	112.7
453	T	34.1	Very low	38.9	Very low	139 Å²	139	121.4 Å²	121.4	85%	0.853	70%	0.695	S	S	*	*			trans	38.7	124.2	151.4	-46.3	0	0	0	0	121.1
454	Y	32	Very low	39.8	Very low	231 Å²	231	120 Å²	120	91%	0.906	69%	0.689	S	S	*	*			trans	-67.7	126	179.2	-63.7	-93.6	0	0	0	114
455	G	35.6	Very low	41.8	Very low	75 Å²	75	117.7 Å²	117.7	77%	0.773	68%	0.681	S	S	*	*			trans	-94.5	106	162.7	0	0	0	0	0	111.2
456	T	36.3	Very low	43.9	Very low	129 Å²	129	115.8 Å²	115.8	79%	0.791	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-62.8	129.2	175.9	-51	0	0	0	0	110.4	S458	T456-S458 PolarHBondContact O-N 3.08Å
457	P	36.3	Very low	45.8	Very low	86 Å²	86	111.7 Å²	111.7	56%	0.558	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-62	133.4	173.4	27	-34	0	0	0	109.3	S459 V462	P457-S459 PolarHBondContact O-N 3.12Å; P457-V462 HydrophobicContact CB-CG2 4.31Å; P457-V462 HydrophobicContact CG-CG2 4.2Å
458	S	36	Very low	48	Very low	76 Å²	76	113.4 Å²	113.4	53%	0.531	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-56	132.7	-176	65.2	0	0	0	0	110.3	T456 Q460 S461 V462	T456-S458 PolarHBondContact O-N 3.08Å; S458-Q460 PolarHBondContact O-N 3.08Å; S458-S461 WeakPolarHBondContact O-CB 3.09Å; S458-S461 PolarHBondContact O-N 3.05Å; S458-S461 PolarHBondContact O-OG 2.8Å; S458-V462 PolarHBondContact O-N 3.41Å
459	S	48.2	Very low	50.3	Low	100 Å²	100	112 Å²	112	70%	0.699	63%	0.631	S	S	*	*	H	α-helix	trans	-59	-25.3	-173.8	47.2	0	0	0	0	113	P457 C463	P457-S459 PolarHBondContact O-N 3.12Å; S459-C463 WeakPolarHBondContact O-CB 3.49Å; S459-C463 PolarHBondContact O-N 3.44Å
460	Q	49.1	Very low	52.5	Low	154 Å²	154	113.5 Å²	113.5	72%	0.72	63%	0.628	S	S	*	*	H	α-helix	trans	-64.6	-39.5	170.4	-66	-179.1	-6.3	0	0	113.3	S458 C463 F464	S458-Q460 PolarHBondContact O-N 3.08Å; Q460-C463 PolarHBondContact O-N 3.45Å; Q460-C463 PolarHBondContact O-SG 3.27Å; Q460-F464 VanDerWaalsContact O-CB 3.29Å; Q460-F464 WeakPolarHBondContact O-CB 3.41Å; Q460-F464 PolarHBondContact O-N 3.03Å
461	S	49.1	Very low	54.7	Low	48 Å²	48	110.4 Å²	110.4	34%	0.336	62%	0.616	S	S	.	*	H	α-helix	trans	-68.2	-36.8	177.7	71.1	0	0	0	0	112.1	S458 N465	S458-S461 WeakPolarHBondContact O-CB 3.09Å; S458-S461 PolarHBondContact O-N 3.05Å; S458-S461 PolarHBondContact O-OG 2.8Å; S461-N465 PolarHBondContact O-N 2.88Å; S461-N465 PolarHBondContact O-ND2 2.94Å
462	V	52.4	Low	57.2	Low	83 Å²	83	110.5 Å²	110.5	50%	0.503	61%	0.608	S	S	.	*	H	α-helix	trans	-70.8	-41	176	-175.4	0	0	0	0	110.6	P457 S458 S466	P457-V462 HydrophobicContact CB-CG2 4.31Å; P457-V462 HydrophobicContact CG-CG2 4.2Å; S458-V462 PolarHBondContact O-N 3.41Å; V462-S466 PolarHBondContact O-N 3.19Å
463	C	56	Low	59.6	Low	68 Å²	68	110.6 Å²	110.6	46%	0.459	59%	0.592	S	S	.	*	H	α-helix	trans	-70.7	-34.7	176.4	89.9	0	0	0	0	112.8	S459 Q460 N465 S466 V467	S459-C463 WeakPolarHBondContact O-CB 3.49Å; S459-C463 PolarHBondContact O-N 3.44Å; Q460-C463 PolarHBondContact O-N 3.45Å; Q460-C463 PolarHBondContact O-SG 3.27Å; C463-N465 PolarHBondContact O-N 3.41Å; C463-S466 PolarHBondContact O-N 2.89Å; C463-S466 PolarHBondContact O-OG 3.35Å; C463-S466 VanDerWaalsContact O-OG 3.09Å; C463-V467 WeakPolarHBondContact O-CB 3.48Å; C463-V467 VanDerWaalsContact O-CG2 3.29Å; C463-V467 WeakPolarHBondContact O-CG2 3.34Å; C463-V467 PolarHBondContact O-N 3.02Å
464	F	56.4	Low	62	Low	139 Å²	139	111 Å²	111	61%	0.61	58%	0.578	S	S	*	*	H	α-helix	trans	-62	-45.3	175.3	-176.1	-98.4	0	0	0	111.3	Q460 V467 K468	Q460-F464 VanDerWaalsContact O-CB 3.29Å; Q460-F464 WeakPolarHBondContact O-CB 3.41Å; Q460-F464 PolarHBondContact O-N 3.03Å; F464-V467 PolarHBondContact O-N 2.98Å; F464-K468 WeakPolarHBondContact O-CB 3.31Å; F464-K468 PolarHBondContact O-N 3.18Å
465	N	74.3	Confident	64.5	Low	99 Å²	99	105.8 Å²	105.8	53%	0.529	57%	0.565	S	S	.	*	H	α-helix	trans	-65.9	-37.8	175.8	-78.8	-68.1	0	0	0	112.7	S461 C463 R469	S461-N465 PolarHBondContact O-N 2.88Å; S461-N465 PolarHBondContact O-ND2 2.94Å; C463-N465 PolarHBondContact O-N 3.41Å; N465-R469 WeakPolarHBondContact O-CB 3.45Å; N465-R469 PolarHBondContact O-N 3.19Å
466	S	78.1	Confident	66.7	Low	62 Å²	62	107.3 Å²	107.3	43%	0.434	55%	0.552	S	S	.	*	H	α-helix	trans	-70.5	-37.9	176.6	77.5	0	0	0	0	112.6	V462 C463 R470	V462-S466 PolarHBondContact O-N 3.19Å; C463-S466 PolarHBondContact O-N 2.89Å; C463-S466 PolarHBondContact O-OG 3.35Å; C463-S466 VanDerWaalsContact O-OG 3.09Å; S466-R470 VanDerWaalsContact O-CB 3.25Å; S466-R470 WeakPolarHBondContact O-CB 3.19Å; S466-R470 PolarHBondContact O-N 3.44Å
467	V	76.9	Confident	68.9	Low	74 Å²	74	108.8 Å²	108.8	45%	0.448	55%	0.548	S	S	.	.	H	α-helix	trans	-64.3	-47.6	172.9	170.5	0	0	0	0	110.9	C463 F464 R469 R470 Q471	C463-V467 WeakPolarHBondContact O-CB 3.48Å; C463-V467 VanDerWaalsContact O-CG2 3.29Å; C463-V467 WeakPolarHBondContact O-CG2 3.34Å; C463-V467 PolarHBondContact O-N 3.02Å; F464-V467 PolarHBondContact O-N 2.98Å; V467-R469 PolarHBondContact O-N 2.94Å; V467-R470 CarbonylContact O-C 3.52Å; V467-R470 PolarHBondContact O-N 3.09Å; V467-Q471 HydrophobicContact CG1-CG 4.48Å; V467-Q471 WeakPolarHBondContact O-CG 3.42Å; V467-Q471 PolarHBondContact O-N 3.3Å
468	K	80.1	Confident	70.9	Confident	115 Å²	115	113.8 Å²	113.8	50%	0.5	56%	0.555	S	S	.	*	H	α-helix	trans	-60.9	-44.4	178.2	-173.3	174.3	179.8	178.7	0	111.8	F464 Q471 L472	F464-K468 WeakPolarHBondContact O-CB 3.31Å; F464-K468 PolarHBondContact O-N 3.18Å; K468-Q471 PolarHBondContact O-N 3.35Å; K468-L472 HydrophobicContact CG-CD1 4.38Å; K468-L472 PolarHBondContact O-N 2.94Å
469	R	84.5	Confident	73	Confident	169 Å²	169	112.3 Å²	112.3	64%	0.638	55%	0.545	S	S	*	.	H	α-helix	trans	-59.1	-48.8	173.2	-174.5	-176.1	-69.2	153.2	-1.1	111.3	N465 V467 Q471 L472 E473	N465-R469 WeakPolarHBondContact O-CB 3.45Å; N465-R469 PolarHBondContact O-N 3.19Å; V467-R469 PolarHBondContact O-N 2.94Å; R469-Q471 PolarHBondContact O-N 3.35Å; R469-L472 PolarHBondContact O-N 3.03Å; R469-L472 VanDerWaalsContact O-N 3.16Å; R469-E473 HydrophobicContact CG-CG 4.43Å; R469-E473 WeakPolarHBondContact CG-OE1 3.35Å; R469-E473 WeakPolarHBondContact O-CG 3.47Å; R469-E473 PolarHBondContact O-N 3.37Å
470	R	85.7	Confident	74.4	Confident	155 Å²	155	111.1 Å²	111.1	59%	0.585	53%	0.53	S	S	*	.	H	α-helix	trans	-72.5	-10.3	-179.4	-148.4	-178.8	-169.9	-174.5	5.1	113.8	S466 V467 R474	S466-R470 VanDerWaalsContact O-CB 3.25Å; S466-R470 WeakPolarHBondContact O-CB 3.19Å; S466-R470 PolarHBondContact O-N 3.44Å; V467-R470 CarbonylContact O-C 3.52Å; V467-R470 PolarHBondContact O-N 3.09Å; R470-R474 VanDerWaalsContact O-CG 3.3Å; R470-R474 WeakPolarHBondContact O-CG 3.34Å; R470-R474 PolarHBondContact O-NH1 3.02Å
471	Q	81.4	Confident	75.7	Confident	115 Å²	115	113.3 Å²	113.3	54%	0.537	53%	0.532	S	S	.	.	H	α-helix	trans	-85.2	-45.7	166.5	-77.8	175.2	-19.1	0	0	110.6	V467 K468 R469 R474 L475	V467-Q471 HydrophobicContact CG1-CG 4.48Å; V467-Q471 WeakPolarHBondContact O-CG 3.42Å; V467-Q471 PolarHBondContact O-N 3.3Å; K468-Q471 PolarHBondContact O-N 3.35Å; R469-Q471 PolarHBondContact O-N 3.35Å; Q471-R474 PolarHBondContact O-N 3.27Å; Q471-R474 VanDerWaalsContact O-N 3.11Å; Q471-L475 PolarHBondContact O-N 2.87Å
472	L	85.3	Confident	76.8	Confident	107 Å²	107	118.9 Å²	118.9	56%	0.56	55%	0.551	S	S	*	*	H	α-helix	trans	-59.2	-45.2	173.6	-77.5	162.8	0	0	0	112.1	K468 R469 R474 L475 Q476	K468-L472 HydrophobicContact CG-CD1 4.38Å; K468-L472 PolarHBondContact O-N 2.94Å; R469-L472 PolarHBondContact O-N 3.03Å; R469-L472 VanDerWaalsContact O-N 3.16Å; L472-R474 PolarHBondContact O-N 2.76Å; L472-L475 PolarHBondContact O-N 3.43Å; L472-L475 VanDerWaalsContact O-N 3.14Å; L472-Q476 WeakPolarHBondContact O-CB 3.37Å; L472-Q476 PolarHBondContact O-N 2.87Å
473	E	84.6	Confident	77.9	Confident	98 Å²	98	121.2 Å²	121.2	46%	0.458	56%	0.56	S	S	.	*	H	α-helix	trans	-57.5	-33.3	173.7	-73.3	167	-172.6	0	0	113.1	R469 K477	R469-E473 HydrophobicContact CG-CG 4.43Å; R469-E473 WeakPolarHBondContact CG-OE1 3.35Å; R469-E473 WeakPolarHBondContact O-CG 3.47Å; R469-E473 PolarHBondContact O-N 3.37Å; E473-K477 WeakPolarHBondContact O-CB 3.45Å; E473-K477 WeakPolarHBondContact O-CG 3.34Å; E473-K477 PolarHBondContact O-N 3.29Å
474	R	84.7	Confident	78	Confident	147 Å²	147	121.2 Å²	121.2	56%	0.555	56%	0.561	S	S	*	*	H	α-helix	trans	-80.2	-34.1	176.9	-74.6	-179.4	-175.5	110.8	-18	112.4	R470 Q471 L472 R478	R470-R474 VanDerWaalsContact O-CG 3.3Å; R470-R474 WeakPolarHBondContact O-CG 3.34Å; R470-R474 PolarHBondContact O-NH1 3.02Å; Q471-R474 PolarHBondContact O-N 3.27Å; Q471-R474 VanDerWaalsContact O-N 3.11Å; L472-R474 PolarHBondContact O-N 2.76Å; R474-R478 VanDerWaalsContact O-CB 3.28Å; R474-R478 WeakPolarHBondContact O-CB 3.41Å; R474-R478 PolarHBondContact O-N 3.26Å; R474-R478 VanDerWaalsContact O-N 3.11Å
475	L	82.7	Confident	78.1	Confident	122 Å²	122	119.9 Å²	119.9	64%	0.639	57%	0.566	S	S	*	*	H	α-helix	trans	-63.7	-49.3	170.2	-116.5	76	0	0	0	109.9	Q471 L472 R478 S479	Q471-L475 PolarHBondContact O-N 2.87Å; L472-L475 PolarHBondContact O-N 3.43Å; L472-L475 VanDerWaalsContact O-N 3.14Å; L475-R478 CarbonylContact O-C 3.59Å; L475-R478 WeakPolarHBondContact O-CA 3.39Å; L475-R478 WeakPolarHBondContact O-CB 3.16Å; L475-R478 PolarHBondContact O-N 3.41Å; L475-S479 PolarHBondContact O-N 3.17Å; L475-S479 PolarHBondContact O-OG 3.05Å
476	Q	82	Confident	76.9	Confident	108 Å²	108	121 Å²	121	51%	0.505	58%	0.579	S	S	.	*	H	α-helix	trans	-57.6	-53	177.9	-168.4	64.7	51.4	0	0	110.8	L472 R478 S479 D480	L472-Q476 WeakPolarHBondContact O-CB 3.37Å; L472-Q476 PolarHBondContact O-N 2.87Å; Q476-R478 PolarHBondContact O-N 3.22Å; Q476-R478 VanDerWaalsContact O-N 3.09Å; Q476-S479 WeakPolarHBondContact CA-OG 3.36Å; Q476-S479 PolarHBondContact O-N 2.92Å; Q476-S479 VanDerWaalsContact O-N 3.1Å; Q476-S479 PolarHBondContact O-OG 3.17Å; Q476-D480 PolarHBondContact NE2-OD1 3.02Å; Q476-D480 WeakPolarHBondContact O-CB 3.19Å; Q476-D480 PolarHBondContact O-N 2.93Å
477	K	83.3	Confident	75.2	Confident	160 Å²	160	123.6 Å²	123.6	70%	0.696	60%	0.604	S	S	*	*	H	α-helix	trans	-59.8	-25.5	176	-76.2	-174.2	175.9	-169.9	0	114.1	E473 W481	E473-K477 WeakPolarHBondContact O-CB 3.45Å; E473-K477 WeakPolarHBondContact O-CG 3.34Å; E473-K477 PolarHBondContact O-N 3.29Å; K477-W481 VanDerWaalsContact O-CB 3.22Å; K477-W481 WeakPolarHBondContact O-CB 3.46Å; K477-W481 PolarHBondContact O-N 3.13Å; K477-W481 VanDerWaalsContact O-N 3.09Å
478	R	78	Confident	73.3	Confident	191 Å²	191	122.9 Å²	122.9	72%	0.721	61%	0.611	S	S	*	*	H	α-helix	trans	-81.9	-36.7	175.9	-171	177.6	179.4	-159.7	-2.7	112.2	R474 L475 Q476 F482	R474-R478 VanDerWaalsContact O-CB 3.28Å; R474-R478 WeakPolarHBondContact O-CB 3.41Å; R474-R478 PolarHBondContact O-N 3.26Å; R474-R478 VanDerWaalsContact O-N 3.11Å; L475-R478 CarbonylContact O-C 3.59Å; L475-R478 WeakPolarHBondContact O-CA 3.39Å; L475-R478 WeakPolarHBondContact O-CB 3.16Å; L475-R478 PolarHBondContact O-N 3.41Å; Q476-R478 PolarHBondContact O-N 3.22Å; Q476-R478 VanDerWaalsContact O-N 3.09Å; R478-F482 VanDerWaalsContact O-CB 3.24Å; R478-F482 WeakPolarHBondContact O-CB 3.43Å; R478-F482 PolarHBondContact O-N 2.85Å
479	S	80.3	Confident	71.2	Confident	44 Å²	44	125.5 Å²	125.5	31%	0.308	63%	0.63	S	S	.	*	H	α-helix	trans	-68.9	-42.1	169.9	51.6	0	0	0	0	111.1	L475 Q476 W481 F482 L483	L475-S479 PolarHBondContact O-N 3.17Å; L475-S479 PolarHBondContact O-OG 3.05Å; Q476-S479 WeakPolarHBondContact CA-OG 3.36Å; Q476-S479 PolarHBondContact O-N 2.92Å; Q476-S479 VanDerWaalsContact O-N 3.1Å; Q476-S479 PolarHBondContact O-OG 3.17Å; S479-W481 VanDerWaalsContact C-N 3.31Å; S479-W481 PolarHBondContact O-N 3.32Å; S479-F482 PolarHBondContact O-N 2.86Å; S479-L483 VanDerWaalsContact O-CB 3.24Å; S479-L483 WeakPolarHBondContact O-CB 3.4Å; S479-L483 VanDerWaalsContact O-CG 3.24Å; S479-L483 WeakPolarHBondContact O-CG 3.32Å; S479-L483 PolarHBondContact O-N 3.05Å
480	D	78.2	Confident	68.7	Low	75 Å²	75	129.2 Å²	129.2	40%	0.401	64%	0.644	S	S	.	*	H	α-helix	trans	-59.6	-43.3	175.5	-59.4	-17.4	0	0	0	110.5	Q476 S484	Q476-D480 PolarHBondContact NE2-OD1 3.02Å; Q476-D480 WeakPolarHBondContact O-CB 3.19Å; Q476-D480 PolarHBondContact O-N 2.93Å; D480-S484 WeakPolarHBondContact O-CA 3.36Å; D480-S484 VanDerWaalsContact O-CB 3.28Å; D480-S484 WeakPolarHBondContact O-CB 3.49Å; D480-S484 PolarHBondContact O-N 3.26Å; D480-S484 PolarHBondContact O-OG 3.34Å
481	W	76.5	Confident	66.3	Low	200 Å²	200	127.2 Å²	127.2	76%	0.758	65%	0.654	S	S	*	*	H	α-helix	trans	-68.2	-36.6	176.1	-177.3	82	0	0	0	113	K477 S479	K477-W481 VanDerWaalsContact O-CB 3.22Å; K477-W481 WeakPolarHBondContact O-CB 3.46Å; K477-W481 PolarHBondContact O-N 3.13Å; K477-W481 VanDerWaalsContact O-N 3.09Å; S479-W481 VanDerWaalsContact C-N 3.31Å; S479-W481 PolarHBondContact O-N 3.32Å
482	F	70.7	Confident	64	Low	165 Å²	165	126.7 Å²	126.7	72%	0.724	66%	0.662	S	S	*	*	H	α-helix	trans	-76.7	-28.9	178.6	-173.8	-99	0	0	0	113.5	R478 S479	R478-F482 VanDerWaalsContact O-CB 3.24Å; R478-F482 WeakPolarHBondContact O-CB 3.43Å; R478-F482 PolarHBondContact O-N 2.85Å; S479-F482 PolarHBondContact O-N 2.86Å
483	L	77.2	Confident	61.4	Low	133 Å²	133	128.5 Å²	128.5	70%	0.696	68%	0.678	S	S	*	*	H	α-helix	trans	-97.3	-4	177.8	-60.9	173	0	0	0	112.7	S479 P485	S479-L483 VanDerWaalsContact O-CB 3.24Å; S479-L483 WeakPolarHBondContact O-CB 3.4Å; S479-L483 VanDerWaalsContact O-CG 3.24Å; S479-L483 WeakPolarHBondContact O-CG 3.32Å; S479-L483 PolarHBondContact O-N 3.05Å; L483-P485 WeakPolarHBondContact O-CD 3.49Å
484	S	57.4	Low	58.8	Low	68 Å²	68	127.4 Å²	127.4	48%	0.476	69%	0.693	S	S	.	*	S	Bend	trans	-65.6	127	171.3	-76.8	0	0	0	0	109.7	D480	D480-S484 WeakPolarHBondContact O-CA 3.36Å; D480-S484 VanDerWaalsContact O-CB 3.28Å; D480-S484 WeakPolarHBondContact O-CB 3.49Å; D480-S484 PolarHBondContact O-N 3.26Å; D480-S484 PolarHBondContact O-OG 3.34Å
485	P	58.7	Low	56.3	Low	111 Å²	111	128 Å²	128	72%	0.721	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-54.3	144.1	166.2	-24.7	34.8	0	0	0	110.4	L483 A487	L483-P485 WeakPolarHBondContact O-CD 3.49Å; P485-A487 PolarHBondContact O-N 3.26Å; P485-A487 VanDerWaalsContact O-N 3.09Å
486	P	49.6	Very low	53.9	Low	123 Å²	123	131.2 Å²	131.2	80%	0.799	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-50.8	118.5	-174.1	-30.6	36.1	0	0	0	113.1	G488	P486-G488 PolarHBondContact O-N 2.81Å
487	A	42	Very low	51.5	Low	116 Å²	116	132.8 Å²	132.8	96%	0.959	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	54.9	-174.8	0	0	0	0	0	112.9	P485	P485-A487 PolarHBondContact O-N 3.26Å; P485-A487 VanDerWaalsContact O-N 3.09Å
488	G	37.2	Very low	49.1	Very low	58 Å²	58	133 Å²	133	60%	0.598	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-17.7	175.7	0	0	0	0	0	114.5	P486 R490	P486-G488 PolarHBondContact O-N 2.81Å; G488-R490 PolarHBondContact O-N 3.15Å
489	L	35.5	Very low	46.9	Very low	171 Å²	171	130 Å²	130	90%	0.895	73%	0.734	S	S	*	*	S	Bend	trans	-101.2	49.6	-179.1	-65.5	177.6	0	0	0	112.8
490	R	32.8	Very low	44.6	Very low	247 Å²	247	133.9 Å²	133.9	93%	0.932	76%	0.758	S	S	*	*			trans	-137.3	39.6	168.4	-74.2	-164	177.8	-123	-0.4	113.4	G488	G488-R490 PolarHBondContact O-N 3.15Å
491	S	34.3	Very low	42.5	Very low	113 Å²	113	134.7 Å²	134.7	79%	0.79	77%	0.77	S	S	*	*			trans	-76.2	137.4	149.9	-67	0	0	0	0	108.9
492	S	33.9	Very low	40.5	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	77%	0.774	S	S	*	*	S	Bend	trans	-62.9	151.3	171.9	47.3	0	0	0	0	111.8
493	T	30.6	Very low	38.7	Very low	145 Å²	145	130.3 Å²	130.3	89%	0.89	78%	0.781	S	S	*	*	S	Bend	trans	52.6	89.4	163.4	51.4	0	0	0	0	116.4
494	G	30.1	Very low	36.7	Very low	76 Å²	76	127.2 Å²	127.2	78%	0.784	78%	0.782	S	S	*	*			trans	-162.2	22.6	172.5	0	0	0	0	0	114.8	M496	G494-M496 PolarHBondContact O-N 3.46Å; G494-M496 VanDerWaalsContact O-N 3.12Å
495	L	31.9	Very low	35.5	Very low	158 Å²	158	130.4 Å²	130.4	83%	0.827	80%	0.798	S	S	*	*			trans	-87	80.9	-170	-152	174.6	0	0	0	111.1	H497	L495-H497 HydrophobicContact CD2-CB 3.8Å; L495-H497 PolarHBondContact O-N 2.91Å
496	M	32.7	Very low	34.3	Very low	190 Å²	190	130.6 Å²	130.6	94%	0.936	80%	0.797	S	S	*	*			trans	-74.8	75.9	171.2	-77.5	-164.9	169.4	0	0	111.6	G494 L498	G494-M496 PolarHBondContact O-N 3.46Å; G494-M496 VanDerWaalsContact O-N 3.12Å; M496-L498 PolarHBondContact O-N 3.24Å
497	H	31.1	Very low	33.6	Very low	141 Å²	141	133.4 Å²	133.4	65%	0.653	80%	0.799	S	S	*	*			trans	-75.2	114.2	161.7	-180	-66.4	0	0	0	108.8	L495 N499	L495-H497 HydrophobicContact CD2-CB 3.8Å; L495-H497 PolarHBondContact O-N 2.91Å; H497-N499 PolarHBondContact O-N 3.47Å; H497-N499 VanDerWaalsContact O-N 3.14Å
498	L	32.4	Very low	33.1	Very low	166 Å²	166	131 Å²	131	87%	0.869	79%	0.786	S	S	*	*			trans	-63.5	113.7	174.5	-68.2	170.7	0	0	0	110.1	M496	M496-L498 PolarHBondContact O-N 3.24Å
499	N	32.1	Very low	33	Very low	127 Å²	127	134.1 Å²	134.1	68%	0.679	80%	0.798	S	S	*	*			trans	-142	117.4	170.6	-161.4	2	0	0	0	108.8	H497 S501	H497-N499 PolarHBondContact O-N 3.47Å; H497-N499 VanDerWaalsContact O-N 3.14Å; N499-S501 PolarHBondContact O-N 2.95Å
500	P	31.4	Very low	32.9	Very low	125 Å²	125	133.4 Å²	133.4	81%	0.812	79%	0.794	S	S	*	*			trans	-91.6	92.5	-163	34.1	-35.4	0	0	0	113.9
501	S	33.7	Very low	33	Very low	93 Å²	93	127.3 Å²	127.3	65%	0.65	79%	0.786	S	S	*	*			trans	-161.9	129	161.8	49.9	0	0	0	0	115.4	N499	N499-S501 PolarHBondContact O-N 2.95Å
502	T	36.2	Very low	32.9	Very low	139 Å²	139	130.1 Å²	130.1	85%	0.853	79%	0.787	S	S	*	*			trans	68.5	150.8	160.8	50.3	0	0	0	0	120.5
503	P	32.3	Very low	33	Very low	133 Å²	133	132.9 Å²	132.9	86%	0.864	79%	0.792	S	S	*	*			trans	-131.7	170	-156.9	39.8	-20.8	0	0	0	117.6
504	G	34.6	Very low	33.2	Very low	69 Å²	69	133.4 Å²	133.4	71%	0.711	78%	0.784	S	S	*	*			trans	112	155.1	166.3	0	0	0	0	0	115.3
505	T	33.7	Very low	33.3	Very low	134 Å²	134	135.5 Å²	135.5	82%	0.822	78%	0.778	S	S	*	*			cis	-155.8	132.4	-7.2	-75.2	0	0	0	0	111.6
506	V	32.5	Very low	33.4	Very low	115 Å²	115	137.6 Å²	137.6	70%	0.697	78%	0.78	S	S	*	*			trans	12.1	127.1	154	-170	0	0	0	0	121.6
507	H	35	Very low	33.4	Very low	183 Å²	183	135.1 Å²	135.1	85%	0.847	77%	0.77	S	S	*	*				162.6	147.6	128.7	-89.7	-70.7	0	0	0	108
508	G	30.8	Very low	33.5	Very low	66 Å²	66	136.3 Å²	136.3	68%	0.68	78%	0.781	S	S	*	*			cis	123.2	128.1	26.8	0	0	0	0	0	106.7
509	S	35.1	Very low	33.2	Very low	122 Å²	122	134.2 Å²	134.2	85%	0.853	78%	0.775	S	S	*	*			cis	-164.8	173	36	-60.9	0	0	0	0	113.2
510	I	34.7	Very low	33.2	Very low	157 Å²	157	132.8 Å²	132.8	81%	0.805	78%	0.775	S	S	*	*			trans	-134.9	145.1	167.7	-34.5	173.9	0	0	0	107.9
511	P	34.1	Very low	33.1	Very low	118 Å²	118	135 Å²	135	77%	0.766	78%	0.775	S	S	*	*				-147.1	162.9	108.2	35.7	-17.8	0	0	0	112.9
512	Q	32.2	Very low	32.8	Very low	172 Å²	172	135.8 Å²	135.8	80%	0.804	78%	0.776	S	S	*	*			cis	76.8	108	38.3	-84.5	-156.1	6.4	0	0	118.1
513	I	36.4	Very low	32.5	Very low	162 Å²	162	135.4 Å²	135.4	83%	0.831	77%	0.769	S	S	*	*			trans	-150.9	115.9	156.3	-54.3	-175.1	0	0	0	104.8
514	Q	34.3	Very low	32.4	Very low	155 Å²	155	135.7 Å²	135.7	72%	0.724	76%	0.763	S	S	*	*				66.1	149.6	69	-67.6	-161.3	12.3	0	0	114.5
515	N	32.6	Very low	32.3	Very low	121 Å²	121	139.8 Å²	139.8	65%	0.647	77%	0.768	S	S	*	*			cis	-168.5	148.8	-15.3	-110.7	-22.6	0	0	0	109.6
516	K	34.7	Very low	32	Very low	202 Å²	202	142.3 Å²	142.3	88%	0.878	77%	0.768	S	S	*	*				164.1	148.8	125.7	-93.4	-178	176	-178.6	0	115.4
517	L	31.4	Very low	32	Very low	138 Å²	138	142.5 Å²	142.5	72%	0.723	77%	0.774	S	S	*	*			trans	-97.2	166.9	172.5	-74.2	62.4	0	0	0	110.9
518	N	32.9	Very low	31.7	Very low	166 Å²	166	139.9 Å²	139.9	89%	0.888	77%	0.766	S	S	*	*				-169.5	161.8	111.3	-96.5	-4.2	0	0	0	114.1
519	T	27.6	Very low	31.5	Very low	122 Å²	122	146 Å²	146	75%	0.748	77%	0.774	S	S	*	*			trans	-123.6	151.6	-163.6	-51.2	0	0	0	0	111.1
520	S	31.3	Very low	31.2	Very low	96 Å²	96	150.1 Å²	150.1	67%	0.671	77%	0.771	S	S	*	*			trans	171.7	132.9	137.6	-81.7	0	0	0	0	115.7
521	Q	29.4	Very low	30.9	Very low	172 Å²	172	149.2 Å²	149.2	80%	0.804	77%	0.768	S	S	*	*				46.3	150.7	124.5	-53.1	-177.4	3.5	0	0	122
522	T	26.4	Very low	30.5	Very low	109 Å²	109	153.5 Å²	153.5	67%	0.669	77%	0.771	S	S	*	*			cis	-170.1	173.5	-21.2	33.1	0	0	0	0	109.4
523	N	31.3	Very low	30.5	Very low	132 Å²	132	150.1 Å²	150.1	71%	0.706	76%	0.764	S	S	*	*			trans	86.6	99.3	153	-59.5	-30.7	0	0	0	122.2
524	N	28.5	Very low	30	Very low	139 Å²	139	148.5 Å²	148.5	74%	0.743	76%	0.761	S	S	*	*				31.5	127.2	120.4	-54.3	-13.8	0	0	0	121.3
525	N	33.8	Very low	29.6	Very low	154 Å²	154	147.2 Å²	147.2	82%	0.824	76%	0.763	S	S	*	*				-172.2	154.9	109.3	-102.7	-47.4	0	0	0	117.1
526	K	27.5	Very low	29.2	Very low	188 Å²	188	146.2 Å²	146.2	82%	0.817	77%	0.766	S	S	*	*			trans	-33.2	150.5	170.8	-73.2	160.6	172.6	169.1	0	116.3
527	S	32.2	Very low	28.9	Very low	118 Å²	118	143 Å²	143	83%	0.825	76%	0.763	S	S	*	*				-169	175.8	71.6	54	0	0	0	0	115.7
528	N	27.6	Very low	28.7	Very low	128 Å²	128	144.2 Å²	144.2	68%	0.684	77%	0.765	S	S	*	*			trans	-86.8	165.5	-169.3	-45.8	-47.4	0	0	0	114.1
529	F	28.5	Very low	28.9	Very low	194 Å²	194	140.1 Å²	140.1	85%	0.851	75%	0.748	S	S	*	*				171.3	137.2	101.3	-96.5	-65	0	0	0	117.3
530	R	28.8	Very low	28.8	Very low	209 Å²	209	142 Å²	142	79%	0.789	75%	0.748	S	S	*	*			trans	92.3	96.6	138.2	-150.7	171.6	-143.8	157.7	5.4	122.6
531	N	26.4	Very low	28.6	Very low	138 Å²	138	142.5 Å²	142.5	74%	0.738	75%	0.751	S	S	*	*			trans	-30	155.2	154.4	-38.6	-8.3	0	0	0	118.6
532	Y	27	Very low	28.4	Very low	209 Å²	209	141.7 Å²	141.7	82%	0.82	75%	0.752	S	S	*	*				-167.7	160.4	112.5	-90.4	-51.2	0	0	0	111.2
533	P	31.5	Very low	28.4	Very low	101 Å²	101	139.8 Å²	139.8	66%	0.656	74%	0.743	S	S	*	*			trans	-143.1	-165.9	-136.6	35.1	-9.4	0	0	0	117.1
534	V	27	Very low	28.1	Very low	127 Å²	127	141 Å²	141	77%	0.77	75%	0.749	S	S	*	*			trans	70.4	137.9	165.9	-135	0	0	0	0	113.6
535	V	25.6	Very low	28.3	Very low	129 Å²	129	141.7 Å²	141.7	78%	0.782	75%	0.752	S	S	*	*			cis	-136.7	156.9	33.5	178.6	0	0	0	0	113.3
536	S	24.2	Very low	27.9	Very low	99 Å²	99	139.7 Å²	139.7	69%	0.692	74%	0.742	S	S	*	*			trans	-26.8	153.4	169.8	-38.5	0	0	0	0	117.8
537	T	27.1	Very low	28	Very low	136 Å²	136	136 Å²	136	83%	0.834	74%	0.739	S	S	*	*			cis	-145.7	141	28.3	-42.9	0	0	0	0	113.3
538	E	29.1	Very low	28	Very low	162 Å²	162	133.3 Å²	133.3	76%	0.757	72%	0.72	S	S	*	*			trans	-170.4	177.7	-174.9	-102.3	-81	143.3	0	0	103.3
539	P	35.5	Very low	28.1	Very low	81 Å²	81	131.7 Å²	131.7	53%	0.526	72%	0.719	S	S	.	*			cis	-142.4	-173.2	5.1	27.8	-1.9	0	0	0	116.1
540	H	26.9	Very low	28.2	Very low	161 Å²	161	128.7 Å²	128.7	75%	0.745	71%	0.711	S	S	*	*			trans	70.7	132.6	150.7	-57	-30.8	0	0	0	118.6
541	S	25.5	Very low	28.3	Very low	106 Å²	106	124.2 Å²	124.2	74%	0.741	70%	0.701	S	S	*	*			cis	78.2	90.9	40.8	179.6	0	0	0	0	114.2
542	L	25.8	Very low	28.4	Very low	156 Å²	156	124.7 Å²	124.7	82%	0.817	70%	0.703	S	S	*	*			trans	-146.9	147.2	138.4	-137.7	73.3	0	0	0	111.6
543	S	26.3	Very low	28.6	Very low	69 Å²	69	121.5 Å²	121.5	48%	0.483	70%	0.699	S	S	.	*			trans	0.2	152.2	154.4	58.5	0	0	0	0	121.2	L545	S543-L545 PolarHBondContact O-N 2.99Å
544	D	26.2	Very low	28.5	Very low	157 Å²	157	124 Å²	124	84%	0.84	71%	0.707	S	S	*	*			trans	16.3	84.6	131.1	-49.7	-54.5	0	0	0	114.6	D546	D544-D546 PolarHBondContact O-N 3.16Å
545	L	32	Very low	28.6	Very low	154 Å²	154	125.3 Å²	125.3	81%	0.806	71%	0.709	S	S	*	*			trans	-75.7	84.8	176.1	-73.1	176.6	0	0	0	109.4	S543	S543-L545 PolarHBondContact O-N 2.99Å
546	D	24.9	Very low	28.8	Very low	112 Å²	112	123.5 Å²	123.5	60%	0.599	70%	0.702	S	S	*	*			trans	-47.5	144.8	168.4	179.3	37.5	0	0	0	111.2	D544 S548	D544-D546 PolarHBondContact O-N 3.16Å; D546-S548 PolarHBondContact O-N 3.24Å; D546-S548 VanDerWaalsContact OD2-CB 3.31Å; D546-S548 WeakPolarHBondContact OD2-CB 3.46Å; D546-S548 PolarHBondContact OD2-OG 3.45Å
547	S	30.6	Very low	29.1	Very low	109 Å²	109	127.7 Å²	127.7	76%	0.762	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	17.9	-169.4	-61.3	0	0	0	0	113.9
548	S	31.1	Very low	29.1	Very low	62 Å²	62	126.7 Å²	126.7	43%	0.434	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95	-34.8	-174.3	50.3	0	0	0	0	113.5	D546 L550 M551	D546-S548 PolarHBondContact O-N 3.24Å; D546-S548 VanDerWaalsContact OD2-CB 3.31Å; D546-S548 WeakPolarHBondContact OD2-CB 3.46Å; D546-S548 PolarHBondContact OD2-OG 3.45Å; S548-L550 PolarHBondContact O-N 2.93Å; S548-M551 PolarHBondContact O-N 3.14Å
549	S	31.1	Very low	29.3	Very low	95 Å²	95	122.4 Å²	122.4	66%	0.664	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-1	-172.9	65	0	0	0	0	115.9
550	L	30.8	Very low	29.1	Very low	131 Å²	131	123.5 Å²	123.5	69%	0.686	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-2.7	177.5	-152.9	133.7	0	0	0	113.3	S548	S548-L550 PolarHBondContact O-N 2.93Å
551	M	29.1	Very low	29.4	Very low	114 Å²	114	121.1 Å²	121.1	56%	0.562	69%	0.694	S	S	*	*	S	Bend	trans	-104.2	-18.4	-166.5	-63	-63.6	175.6	0	0	115.7	L371 S548 I553	L371-M551 HydrophobicContact CD1-CE 4.24Å; S548-M551 PolarHBondContact O-N 3.14Å; M551-I553 PolarHBondContact O-N 2.84Å
552	D	29.9	Very low	29.7	Very low	149 Å²	149	119.8 Å²	119.8	80%	0.797	68%	0.682	S	S	*	*			trans	-93.3	67.7	-172.3	-66.1	-36.1	0	0	0	113.4
553	I	31.1	Very low	30	Very low	141 Å²	141	117 Å²	117	72%	0.723	67%	0.667	S	S	*	*	S	Bend	trans	-132.3	114.8	155.3	-60.2	-177.9	0	0	0	107.8	M551	M551-I553 PolarHBondContact O-N 2.84Å
554	D	29.9	Very low	30.2	Very low	154 Å²	154	119.4 Å²	119.4	82%	0.824	68%	0.675	S	S	*	*			trans	-61.2	136.3	-175.1	-120	-37.5	0	0	0	112.5	S556	D554-S556 VanDerWaalsContact C-N 3.34Å; D554-S556 PolarHBondContact O-N 3.42Å
555	L	28.4	Very low	30.3	Very low	155 Å²	155	120 Å²	120	81%	0.812	67%	0.667	S	S	*	*			trans	-93.8	63.4	175.8	-71	172.8	0	0	0	110	E557	L555-E557 PolarHBondContact O-N 3.27Å
556	S	29.8	Very low	30.4	Very low	90 Å²	90	117.5 Å²	117.5	63%	0.629	65%	0.653	S	S	*	*			trans	-71.1	122.2	177.5	55.9	0	0	0	0	111.9	D554 D558	D554-S556 VanDerWaalsContact C-N 3.34Å; D554-S556 PolarHBondContact O-N 3.42Å; S556-D558 VanDerWaalsContact C-N 3.3Å; S556-D558 PolarHBondContact O-N 2.79Å
557	E	31.3	Very low	30.7	Very low	187 Å²	187	119 Å²	119	87%	0.874	66%	0.657	S	S	*	*			trans	-78.2	58.7	-172.7	-59.3	-177	118.8	0	0	114.4	L555 A559	L555-E557 PolarHBondContact O-N 3.27Å; E557-A559 PolarHBondContact O-N 2.93Å
558	D	27.1	Very low	30.7	Very low	116 Å²	116	119.8 Å²	119.8	62%	0.62	65%	0.652	S	S	*	*			trans	-75.7	66.9	174.3	-85.8	-32.9	0	0	0	112.4	S556 T560	S556-D558 VanDerWaalsContact C-N 3.3Å; S556-D558 PolarHBondContact O-N 2.79Å; D558-T560 PolarHBondContact O-N 3.06Å
559	A	32.1	Very low	30.8	Very low	71 Å²	71	121.1 Å²	121.1	59%	0.587	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	15.9	-177.4	0	0	0	0	0	115.1	E557	E557-A559 PolarHBondContact O-N 2.93Å
560	T	31.9	Very low	30.8	Very low	104 Å²	104	122 Å²	122	64%	0.638	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	-30.3	-169.7	51.9	0	0	0	0	113.8	D558	D558-T560 PolarHBondContact O-N 3.06Å
561	T	32.5	Very low	30.8	Very low	112 Å²	112	124.1 Å²	124.1	69%	0.687	67%	0.667	S	S	*	*	S	Bend	trans	-87.8	-14.9	-178.4	50	0	0	0	0	113.9
562	T	31	Very low	30.8	Very low	78 Å²	78	126.9 Å²	126.9	48%	0.479	68%	0.676	S	S	.	*	H	α-helix	trans	-77.2	-38	-178.3	-0.8	0	0	0	0	113.1	D564 Y565 I566	T562-D564 PolarHBondContact O-N 3.22Å; T562-Y565 PolarHBondContact O-N 2.92Å; T562-I566 HydrophobicContact CG2-CD1 4.3Å; T562-I566 WeakPolarHBondContact O-CD1 3.43Å; T562-I566 VanDerWaalsContact O-CG1 3.25Å; T562-I566 WeakPolarHBondContact O-CG1 3.45Å; T562-I566 PolarHBondContact O-N 3.48Å; T562-I566 VanDerWaalsContact O-N 3.08Å
563	N	32.3	Very low	30.7	Very low	96 Å²	96	126 Å²	126	51%	0.513	67%	0.671	S	S	.	*	H	α-helix	trans	-66.1	-41.2	-170.9	-91.3	-50.6	0	0	0	113.7	Y565 I566 Q567	N563-Y565 VanDerWaalsContact C-N 3.26Å; N563-Y565 PolarHBondContact O-N 3.14Å; N563-I566 PolarHBondContact O-N 3.29Å; N563-Q567 PolarHBondContact O-N 3.35Å
564	D	30.4	Very low	30.7	Very low	120 Å²	120	126.9 Å²	126.9	64%	0.642	68%	0.676	S	S	*	*	H	α-helix	trans	-70	-24.9	-179.8	-69.9	-12.6	0	0	0	112.4	T562 N568	T562-D564 PolarHBondContact O-N 3.22Å; D564-N568 PolarHBondContact O-ND2 3.28Å
565	Y	29.1	Very low	30.6	Very low	170 Å²	170	126.2 Å²	126.2	67%	0.667	67%	0.672	S	S	*	*	H	α-helix	trans	-77.8	-38.2	172.1	-154.4	-101.1	0	0	0	111.8	T562 N563 Q567 N568 L569	T562-Y565 PolarHBondContact O-N 2.92Å; N563-Y565 VanDerWaalsContact C-N 3.26Å; N563-Y565 PolarHBondContact O-N 3.14Å; Y565-Q567 VanDerWaalsContact C-N 3.33Å; Y565-Q567 PolarHBondContact O-N 3.07Å; Y565-N568 PolarHBondContact O-N 2.85Å; Y565-L569 HydrophobicContact CD1-CD1 3.92Å; Y565-L569 HydrophobicContact CE1-CD1 4.06Å
566	I	34.4	Very low	30.7	Very low	101 Å²	101	121.6 Å²	121.6	52%	0.518	66%	0.662	S	S	.	*	H	α-helix	trans	-61.3	-36.4	-179.5	-74.2	164.3	0	0	0	112.4	T562 N563 N568 L569	T562-I566 HydrophobicContact CG2-CD1 4.3Å; T562-I566 WeakPolarHBondContact O-CD1 3.43Å; T562-I566 VanDerWaalsContact O-CG1 3.25Å; T562-I566 WeakPolarHBondContact O-CG1 3.45Å; T562-I566 PolarHBondContact O-N 3.48Å; T562-I566 VanDerWaalsContact O-N 3.08Å; N563-I566 PolarHBondContact O-N 3.29Å; I566-N568 VanDerWaalsContact C-N 3.3Å; I566-N568 PolarHBondContact O-N 2.88Å; I566-L569 PolarHBondContact O-N 3.43Å
567	Q	32	Very low	30.7	Very low	144 Å²	144	125.8 Å²	125.8	67%	0.673	68%	0.677	S	S	*	*	H	α-helix	trans	-66.5	-29.4	179	-65.2	-169.2	18.7	0	0	113.5	N563 Y565 L569 S570	N563-Q567 PolarHBondContact O-N 3.35Å; Y565-Q567 VanDerWaalsContact C-N 3.33Å; Y565-Q567 PolarHBondContact O-N 3.07Å; Q567-L569 VanDerWaalsContact C-N 3.34Å; Q567-L569 PolarHBondContact O-N 2.84Å; Q567-S570 PolarHBondContact O-OG 3.24Å
568	N	30.5	Very low	30.9	Very low	125 Å²	125	122.8 Å²	122.8	67%	0.668	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-6.7	-176.2	-74.5	-74.8	0	0	0	114.1	D564 Y565 I566	D564-N568 PolarHBondContact O-ND2 3.28Å; Y565-N568 PolarHBondContact O-N 2.85Å; I566-N568 VanDerWaalsContact C-N 3.3Å; I566-N568 PolarHBondContact O-N 2.88Å
569	L	31.5	Very low	31.6	Very low	91 Å²	91	120.1 Å²	120.1	48%	0.476	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.6	3.4	-177.4	-82.1	159.1	0	0	0	114.7	Y565 I566 Q567 Q571 F572	Y565-L569 HydrophobicContact CD1-CD1 3.92Å; Y565-L569 HydrophobicContact CE1-CD1 4.06Å; I566-L569 PolarHBondContact O-N 3.43Å; Q567-L569 VanDerWaalsContact C-N 3.34Å; Q567-L569 PolarHBondContact O-N 2.84Å; L569-Q571 PolarHBondContact O-N 3.42Å; L569-F572 HydrophobicContact CD2-CD2 4.06Å; L569-F572 HydrophobicContact CD2-CE2 4.43Å
570	S	31.5	Very low	32.4	Very low	114 Å²	114	120.8 Å²	120.8	80%	0.797	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	9.2	-177.8	52.9	0	0	0	0	115.7	Q567	Q567-S570 PolarHBondContact O-OG 3.24Å
571	Q	31.2	Very low	33.2	Very low	175 Å²	175	119.8 Å²	119.8	82%	0.818	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.3	0.7	-167.5	-151	162.5	54.7	0	0	115.6	L569 N573	L569-Q571 PolarHBondContact O-N 3.42Å; Q571-N573 PolarHBondContact O-N 2.86Å
572	F	28.4	Very low	33.8	Very low	172 Å²	172	119.7 Å²	119.7	75%	0.754	64%	0.638	S	S	*	*			trans	-85.5	109.7	179.4	-80.5	-86	0	0	0	112.8	L569	L569-F572 HydrophobicContact CD2-CD2 4.06Å; L569-F572 HydrophobicContact CD2-CE2 4.43Å
573	N	28.9	Very low	35	Very low	131 Å²	131	119.6 Å²	119.6	70%	0.701	64%	0.635	S	S	*	*			trans	-88.2	110.6	-174.8	-173.4	2	0	0	0	111.1	Q571 N575	Q571-N573 PolarHBondContact O-N 2.86Å; N573-N575 PolarHBondContact O-N 2.97Å; N573-N575 PolarHBondContact OD1-ND2 3.49Å
574	I	30.6	Very low	36.1	Very low	159 Å²	159	115.2 Å²	115.2	82%	0.815	61%	0.611	S	S	*	*			trans	-76.6	89.2	-176.5	-54.8	177.9	0	0	0	110.2
575	N	27.2	Very low	37.3	Very low	139 Å²	139	110.8 Å²	110.8	74%	0.743	59%	0.594	S	S	*	*			trans	-145	86.6	173.4	-85.6	-62.5	0	0	0	110	N573	N573-N575 PolarHBondContact O-N 2.97Å; N573-N575 PolarHBondContact OD1-ND2 3.49Å
576	G	31.5	Very low	38.5	Very low	59 Å²	59	108.9 Å²	108.9	61%	0.608	59%	0.59	S	S	*	*			trans	-178.1	138	178.2	0	0	0	0	0	113.5	D578	G576-D578 PolarHBondContact O-N 3.38Å
577	N	30.1	Very low	39.6	Very low	177 Å²	177	105.6 Å²	105.6	95%	0.947	57%	0.574	S	S	*	*	S	Bend	trans	-93.1	54.5	-177.6	-70.4	-18.1	0	0	0	112.7
578	D	33.9	Very low	40.9	Very low	124 Å²	124	99.5 Å²	99.5	66%	0.663	55%	0.546	S	S	*	.			trans	-149.3	136.6	151.9	-134.3	-19.9	0	0	0	109.4	K272 G576	K272-D578 IonicContact NZ-OD1 3.13Å; K272-D578 PolarHBondContact NZ-OD1 3.22Å; G576-D578 PolarHBondContact O-N 3.38Å
579	V	42.8	Very low	41.9	Very low	61 Å²	61	100.9 Å²	100.9	37%	0.37	55%	0.547	S	S	.	.			trans	-122.7	117.6	176.1	178.9	0	0	0	0	105.3	I271 D583	I271-V579 HydrophobicContact CD1-CG1 4.4Å; V579-D583 HydrophobicContact CG1-CB 3.75Å
580	D	48.5	Very low	43.1	Very low	85 Å²	85	101.1 Å²	101.1	46%	0.455	55%	0.552	S	S	.	*			trans	-80.3	158.6	-177.1	-168.1	4.2	0	0	0	110.1	N582 D583 I584	D580-N582 HydrophobicContact CB-CB 4.35Å; D580-N582 PolarHBondContact O-N 3.35Å; D580-N582 PolarHBondContact OD2-ND2 3.24Å; D580-D583 PolarHBondContact N-OD2 2.85Å; D580-D583 WeakPolarHBondContact O-CB 3.29Å; D580-D583 PolarHBondContact O-N 3.3Å; D580-I584 PolarHBondContact O-N 3.05Å
581	V	48.8	Very low	44.2	Very low	82 Å²	82	96.6 Å²	96.6	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-60.4	-29.3	172.7	-177.6	0	0	0	0	110.3	D583 I584 G585	V581-D583 VanDerWaalsContact C-N 3.33Å; V581-D583 PolarHBondContact O-N 3.02Å; V581-I584 PolarHBondContact O-N 3.4Å; V581-G585 PolarHBondContact O-N 3.33Å; V581-G585 VanDerWaalsContact O-N 3.09Å
582	N	46.3	Very low	45.3	Very low	111 Å²	111	88.3 Å²	88.3	59%	0.594	48%	0.483	S	S	*	.	H	α-helix	trans	-59.7	-38	171.4	-68.5	-50.7	0	0	0	113.1	D580 G585 H586	D580-N582 HydrophobicContact CB-CB 4.35Å; D580-N582 PolarHBondContact O-N 3.35Å; D580-N582 PolarHBondContact OD2-ND2 3.24Å; N582-G585 PolarHBondContact O-N 3.25Å; N582-H586 PolarHBondContact O-N 3.29Å
583	D	55.9	Low	46.7	Very low	76 Å²	76	82.9 Å²	82.9	41%	0.406	46%	0.46	S	S	.	.	H	α-helix	trans	-67.9	-38.2	177.4	-61.6	-45.3	0	0	0	111.5	V579 D580 V581 G585 H586 L587	V579-D583 HydrophobicContact CG1-CB 3.75Å; D580-D583 PolarHBondContact N-OD2 2.85Å; D580-D583 WeakPolarHBondContact O-CB 3.29Å; D580-D583 PolarHBondContact O-N 3.3Å; V581-D583 VanDerWaalsContact C-N 3.33Å; V581-D583 PolarHBondContact O-N 3.02Å; D583-G585 VanDerWaalsContact C-N 3.32Å; D583-H586 PolarHBondContact O-N 3.1Å; D583-L587 WeakPolarHBondContact O-CB 3.35Å; D583-L587 VanDerWaalsContact O-CG 3.32Å; D583-L587 WeakPolarHBondContact O-CG 3.34Å; D583-L587 PolarHBondContact O-N 3.16Å
584	I	55.7	Low	48.2	Very low	3 Å²	3	84.2 Å²	84.2	2%	0.015	46%	0.455	C	S	.	.	H	α-helix	trans	-64.8	-40.7	175.6	-54	179.2	0	0	0	110.1	L260 I271 D580 V581 H586 L587 V588 I595	L260-I584 HydrophobicContact CD2-CG2 4.02Å; I271-I584 HydrophobicContact CD1-CD1 3.87Å; I271-I584 HydrophobicContact CD1-CG1 3.99Å; I271-I584 HydrophobicContact CG1-CD1 4.03Å; D580-I584 PolarHBondContact O-N 3.05Å; V581-I584 PolarHBondContact O-N 3.4Å; I584-H586 PolarHBondContact O-N 2.7Å; I584-L587 PolarHBondContact O-N 3.32Å; I584-V588 WeakPolarHBondContact O-CG2 3.17Å; I584-V588 PolarHBondContact O-N 3.2Å; I584-I595 HydrophobicContact CG2-CD1 4.44Å
585	G	55.5	Low	49.5	Very low	27 Å²	27	76.7 Å²	76.7	28%	0.278	42%	0.417	S	S	.	.	H	α-helix	trans	-55.7	-48.9	170.5	0	0	0	0	0	112	V581 N582 D583 L587 V588 F589	V581-G585 PolarHBondContact O-N 3.33Å; V581-G585 VanDerWaalsContact O-N 3.09Å; N582-G585 PolarHBondContact O-N 3.25Å; D583-G585 VanDerWaalsContact C-N 3.32Å; G585-L587 VanDerWaalsContact C-N 3.35Å; G585-L587 PolarHBondContact O-N 2.63Å; G585-V588 PolarHBondContact O-N 3.33Å; G585-F589 VanDerWaalsContact O-CD2 3.28Å; G585-F589 WeakPolarHBondContact O-CD2 3.5Å
586	H	53.6	Low	51.2	Low	130 Å²	130	71.8 Å²	71.8	60%	0.602	39%	0.388	S	S	*	.	H	α-helix	trans	-62.2	-38.4	176.4	-114.8	-76.3	0	0	0	113.2	N582 D583 I584 F589 T590	N582-H586 PolarHBondContact O-N 3.29Å; D583-H586 PolarHBondContact O-N 3.1Å; I584-H586 PolarHBondContact O-N 2.7Å; H586-F589 PolarHBondContact O-N 3.13Å; H586-T590 WeakPolarHBondContact O-CB 3.33Å; H586-T590 WeakPolarHBondContact O-CG2 3.34Å; H586-T590 PolarHBondContact O-N 2.61Å; H586-T590 PolarHBondContact O-OG1 3.41Å
587	L	58.5	Low	52.2	Low	33 Å²	33	74.1 Å²	74.1	17%	0.173	39%	0.386	C	S	.	.	H	α-helix	trans	-66.7	-34.4	176.7	-73.2	167.6	0	0	0	112.5	D583 I584 G585 F589 T590 A591 P592 R594 I595	D583-L587 WeakPolarHBondContact O-CB 3.35Å; D583-L587 VanDerWaalsContact O-CG 3.32Å; D583-L587 WeakPolarHBondContact O-CG 3.34Å; D583-L587 PolarHBondContact O-N 3.16Å; I584-L587 PolarHBondContact O-N 3.32Å; G585-L587 VanDerWaalsContact C-N 3.35Å; G585-L587 PolarHBondContact O-N 2.63Å; L587-F589 VanDerWaalsContact C-N 3.25Å; L587-F589 PolarHBondContact O-N 2.67Å; L587-T590 PolarHBondContact O-N 3.38Å; L587-A591 CarbonylContact O-C 3.55Å; L587-A591 PolarHBondContact O-N 3.08Å; L587-P592 WeakPolarHBondContact O-CA 3.22Å; L587-R594 HydrophobicContact CD2-CB 4.33Å; L587-I595 HydrophobicContact CB-CD1 3.92Å; L587-I595 HydrophobicContact CB-CG1 3.62Å; L587-I595 HydrophobicContact CD1-CG1 4.26Å
588	V	58.4	Low	52.6	Low	15 Å²	15	69.3 Å²	69.3	9%	0.091	37%	0.366	C	S	.	.	H	α-helix	trans	-61	-34.8	174.7	169.9	0	0	0	0	112.1	R253 V256 L260 I584 G585 I595	R253-V588 WeakPolarHBondContact CG-O 3.46Å; V256-V588 HydrophobicContact CB-CG2 3.99Å; V256-V588 HydrophobicContact CG1-CG2 3.39Å; L260-V588 HydrophobicContact CD1-CG2 3.99Å; I584-V588 WeakPolarHBondContact O-CG2 3.17Å; I584-V588 PolarHBondContact O-N 3.2Å; G585-V588 PolarHBondContact O-N 3.33Å; V588-I595 HydrophobicContact CG2-CD1 3.68Å
589	F	51.6	Low	52.7	Low	155 Å²	155	67.5 Å²	67.5	68%	0.68	36%	0.363	S	S	*	.	H	α-helix	trans	-84.2	-34.2	177.4	-71.2	-72.8	0	0	0	113.8	G585 H586 L587	G585-F589 VanDerWaalsContact O-CD2 3.28Å; G585-F589 WeakPolarHBondContact O-CD2 3.5Å; H586-F589 PolarHBondContact O-N 3.13Å; L587-F589 VanDerWaalsContact C-N 3.25Å; L587-F589 PolarHBondContact O-N 2.67Å
590	T	55.5	Low	52.2	Low	95 Å²	95	68.5 Å²	68.5	58%	0.583	37%	0.372	S	S	*	.	H	α-helix	trans	-102.3	-32.8	-169.1	56.8	0	0	0	0	114.9	H586 L587	H586-T590 WeakPolarHBondContact O-CB 3.33Å; H586-T590 WeakPolarHBondContact O-CG2 3.34Å; H586-T590 PolarHBondContact O-N 2.61Å; H586-T590 PolarHBondContact O-OG1 3.41Å; L587-T590 PolarHBondContact O-N 3.38Å
591	A	55.1	Low	51.3	Low	20 Å²	20	72 Å²	72	17%	0.165	39%	0.391	C	S	.	.			trans	-164.3	67.6	-175.2	0	0	0	0	0	111.3	L587 E593 R594	L587-A591 CarbonylContact O-C 3.55Å; L587-A591 PolarHBondContact O-N 3.08Å; A591-E593 PolarHBondContact O-N 3.15Å; A591-E593 VanDerWaalsContact O-N 3.11Å; A591-R594 HydrophobicContact CB-CB 4.18Å; A591-R594 HydrophobicContact CB-CG 3.84Å; A591-R594 WeakPolarHBondContact O-CB 3.31Å; A591-R594 PolarHBondContact O-N 3.46Å
592	P	55.2	Low	50.4	Low	1 Å²	1	73 Å²	73	1%	0.006	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.2	-173.5	24.9	-36.6	0	0	0	112.6	E249 V252 R253 L587 R594 I595	E249-P592 HydrophobicContact CG-CG 4Å; V252-P592 HydrophobicContact CG1-CB 4.18Å; R253-P592 HydrophobicContact CG-CB 3.95Å; R253-P592 HydrophobicContact CG-CG 3.73Å; L587-P592 WeakPolarHBondContact O-CA 3.22Å; P592-R594 VanDerWaalsContact C-N 3.26Å; P592-R594 PolarHBondContact O-N 2.98Å; P592-I595 WeakPolarHBondContact O-CB 3.16Å; P592-I595 WeakPolarHBondContact O-CG1 3.44Å; P592-I595 PolarHBondContact O-N 3.32Å
593	E	57.6	Low	49.5	Very low	58 Å²	58	73.5 Å²	73.5	27%	0.271	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.2	175.3	-46.6	-56.8	149.4	0	0	113.3	R248 A591 I595	R248-E593 IonicContact CZ-OE2 2.78Å; R248-E593 IonicContact NH1-OE1 2.74Å; R248-E593 PolarHBondContact NH1-OE1 3.15Å; R248-E593 VanDerWaalsContact NH1-OE1 3.08Å; R248-E593 IonicContact NH1-OE2 3.62Å; R248-E593 PolarHBondContact NH1-OE2 3.34Å; R248-E593 IonicContact NH2-OE2 3.17Å; R248-E593 PolarHBondContact NH2-OE2 3.17Å; A591-E593 PolarHBondContact O-N 3.15Å; A591-E593 VanDerWaalsContact O-N 3.11Å; E593-I595 VanDerWaalsContact C-N 3.34Å; E593-I595 PolarHBondContact O-N 3.14Å
594	R	59.1	Low	48.3	Very low	158 Å²	158	76 Å²	76	60%	0.596	44%	0.437	S	S	*	.	H	α-helix	trans	-72.9	-25.2	-179	-72.6	-175.6	-176.6	-171.7	1.7	113.2	L587 A591 P592 W596 N597 C598	L587-R594 HydrophobicContact CD2-CB 4.33Å; A591-R594 HydrophobicContact CB-CB 4.18Å; A591-R594 HydrophobicContact CB-CG 3.84Å; A591-R594 WeakPolarHBondContact O-CB 3.31Å; A591-R594 PolarHBondContact O-N 3.46Å; P592-R594 VanDerWaalsContact C-N 3.26Å; P592-R594 PolarHBondContact O-N 2.98Å; R594-W596 PolarHBondContact O-N 3.24Å; R594-N597 PolarHBondContact O-N 3.33Å; R594-C598 PolarHBondContact O-N 3.05Å; R594-C598 PolarHBondContact O-SG 3.49Å
595	I	59.4	Low	47	Very low	1 Å²	1	81.9 Å²	81.9	1%	0.005	48%	0.479	C	S	.	.	H	α-helix	trans	-54.4	-32.4	-177.3	-60.9	177.1	0	0	0	111	V256 I584 L587 V588 P592 E593	V256-I595 HydrophobicContact CG1-CD1 3.84Å; V256-I595 HydrophobicContact CG2-CD1 4.33Å; I584-I595 HydrophobicContact CG2-CD1 4.44Å; L587-I595 HydrophobicContact CB-CD1 3.92Å; L587-I595 HydrophobicContact CB-CG1 3.62Å; L587-I595 HydrophobicContact CD1-CG1 4.26Å; V588-I595 HydrophobicContact CG2-CD1 3.68Å; P592-I595 WeakPolarHBondContact O-CB 3.16Å; P592-I595 WeakPolarHBondContact O-CG1 3.44Å; P592-I595 PolarHBondContact O-N 3.32Å; E593-I595 VanDerWaalsContact C-N 3.34Å; E593-I595 PolarHBondContact O-N 3.14Å
596	W	62.9	Low	45.7	Very low	36 Å²	36	84.1 Å²	84.1	14%	0.136	50%	0.502	C	S	.	.	H	α-helix	trans	-88.5	-22.4	179.3	-51.1	134.4	0	0	0	114.7	F255 V256 L259 R594 R684	F255-W596 HydrophobicContact CE1-CZ2 4.45Å; V256-W596 HydrophobicContact CG2-CZ2 3.79Å; L259-W596 HydrophobicContact CD1-CH2 3.72Å; L259-W596 HydrophobicContact CD1-CZ2 3.96Å; R594-W596 PolarHBondContact O-N 3.24Å; W596-R684 VanDerWaalsContact CG-NH2 3.33Å; W596-R684 HydrophobicContact CH2-CG 4.23Å; W596-R684 HydrophobicContact CZ2-CG 4.34Å
597	N	51.8	Low	44.6	Very low	108 Å²	108	84.6 Å²	84.6	58%	0.578	51%	0.509	S	S	*	.	H	α-helix	trans	-84	-21.7	-178.9	-66.8	-9.3	0	0	0	112.7	R594 S599 S600	R594-N597 PolarHBondContact O-N 3.33Å; N597-S599 PolarHBondContact O-N 3.16Å; N597-S599 VanDerWaalsContact O-N 3.08Å; N597-S600 WeakPolarHBondContact O-CB 3.46Å; N597-S600 PolarHBondContact O-N 3.16Å; N597-S600 PolarHBondContact O-OG 3.3Å
598	C	38.7	Very low	43.2	Very low	77 Å²	77	89.1 Å²	89.1	52%	0.52	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.3	179.6	-67.8	0	0	0	0	114.8	R594 S600	R594-C598 PolarHBondContact O-N 3.05Å; R594-C598 PolarHBondContact O-SG 3.49Å; C598-S600 VanDerWaalsContact C-N 3.28Å; C598-S600 PolarHBondContact O-N 3.08Å
599	S	36.3	Very low	41.9	Very low	85 Å²	85	95.4 Å²	95.4	59%	0.594	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-1.3	179.8	-55.2	0	0	0	0	114.3	N597	N597-S599 PolarHBondContact O-N 3.16Å; N597-S599 VanDerWaalsContact O-N 3.08Å
600	S	31.6	Very low	40.9	Very low	82 Å²	82	97.8 Å²	97.8	57%	0.573	58%	0.583	S	S	*	*	S	Bend	trans	-92.6	-24.6	-167.7	-40	0	0	0	0	114.7	N597 C598 S602	N597-S600 WeakPolarHBondContact O-CB 3.46Å; N597-S600 PolarHBondContact O-N 3.16Å; N597-S600 PolarHBondContact O-OG 3.3Å; C598-S600 VanDerWaalsContact C-N 3.28Å; C598-S600 PolarHBondContact O-N 3.08Å; S600-S602 PolarHBondContact O-N 3.16Å
601	N	28.8	Very low	39.6	Very low	159 Å²	159	101.5 Å²	101.5	85%	0.85	60%	0.599	S	S	*	*			trans	-103.8	76.7	-160.6	-73.9	3.7	0	0	0	113
602	S	30.2	Very low	38.4	Very low	104 Å²	104	108 Å²	108	73%	0.727	63%	0.63	S	S	*	*	S	Bend	trans	-112.2	122	155.2	58.3	0	0	0	0	110	S600	S600-S602 PolarHBondContact O-N 3.16Å
603	S	28.4	Very low	37.1	Very low	121 Å²	121	111.5 Å²	111.5	85%	0.846	66%	0.655	S	S	*	*	S	Bend	trans	49.6	79.2	172.1	55.5	0	0	0	0	118.7
604	S	31.2	Very low	35.7	Very low	128 Å²	128	115.7 Å²	115.7	90%	0.895	68%	0.684	S	S	*	*				-162.5	147.7	126.8	60.2	0	0	0	0	111.8
605	S	28.5	Very low	34.4	Very low	126 Å²	126	115.3 Å²	115.3	88%	0.881	69%	0.691	S	S	*	*			trans	-101.6	118.7	174.3	53.8	0	0	0	0	110.4
606	G	28.2	Very low	33.2	Very low	74 Å²	74	122 Å²	122	76%	0.763	73%	0.732	S	S	*	*			trans	177.5	131.1	174.5	0	0	0	0	0	114.9
607	D	29.9	Very low	31.6	Very low	140 Å²	140	124.4 Å²	124.4	75%	0.749	77%	0.768	S	S	*	*			trans	22.1	112.6	167.6	-75.2	-57.3	0	0	0	121.3	N609	D607-N609 PolarHBondContact O-N 3.21Å
608	P	28.8	Very low	30.6	Very low	128 Å²	128	123 Å²	123	83%	0.831	78%	0.779	S	S	*	*	S	Bend	trans	-80.9	55.2	171.1	37	-36.6	0	0	0	112.4
609	N	31.3	Very low	29.9	Very low	147 Å²	147	125.4 Å²	125.4	79%	0.786	80%	0.795	S	S	*	*			trans	-144.9	32.2	-175.5	-97.5	-44.1	0	0	0	114.4	D607	D607-N609 PolarHBondContact O-N 3.21Å
610	K	31.5	Very low	29.8	Very low	205 Å²	205	131.4 Å²	131.4	89%	0.891	81%	0.811	S	S	*	*			trans	-134.9	56.6	-177.6	-137.4	177.7	-172.9	-177.4	0	115.1	L612	K610-L612 PolarHBondContact O-N 3.5Å
611	L	27	Very low	29.6	Very low	173 Å²	173	138.6 Å²	138.6	91%	0.906	83%	0.825	S	S	*	*			trans	-80.8	96	168.1	-75.9	169.2	0	0	0	111
612	L	29.6	Very low	29.9	Very low	157 Å²	157	140.4 Å²	140.4	82%	0.822	83%	0.828	S	S	*	*			trans	-160	125.1	151.4	-142.8	71.9	0	0	0	114.3	K610	K610-L612 PolarHBondContact O-N 3.5Å
613	S	28.2	Very low	30.2	Very low	75 Å²	75	140.5 Å²	140.5	52%	0.524	83%	0.829	S	S	.	*			trans	37.2	120.2	149.9	65.6	0	0	0	0	121.3
614	T	29	Very low	30.3	Very low	145 Å²	145	143.3 Å²	143.3	89%	0.89	83%	0.828	S	S	*	*			trans	-144.3	76.1	144.8	-47.4	0	0	0	0	108.5
615	M	31	Very low	30.4	Very low	150 Å²	150	144.3 Å²	144.3	74%	0.739	83%	0.829	S	S	*	*				78.5	91.9	91.1	-74.2	-71.1	150.7	0	0	114.1
616	T	33.8	Very low	30.5	Very low	142 Å²	142	146.1 Å²	146.1	87%	0.871	83%	0.828	S	S	*	*			trans	-69.6	141	158.6	28.2	0	0	0	0	110.7
617	G	30.3	Very low	30.8	Very low	87 Å²	87	148.1 Å²	148.1	90%	0.897	83%	0.83	S	S	*	*			trans	-84.2	133.5	-176.3	0	0	0	0	0	114.1
618	G	29.5	Very low	31	Very low	77 Å²	77	147.6 Å²	147.6	79%	0.794	83%	0.832	S	S	*	*			trans	-176.4	97.6	173.1	0	0	0	0	0	112.5
619	C	25.3	Very low	31.5	Very low	128 Å²	128	147.5 Å²	147.5	87%	0.865	83%	0.832	S	S	*	*			trans	-85	139.5	-170.9	-72.1	0	0	0	0	114.6
620	K	33.1	Very low	31.5	Very low	212 Å²	212	148.9 Å²	148.9	92%	0.922	83%	0.833	S	S	*	*				-158.5	147.9	128.4	-107.8	157.8	-172	175.9	0	111.3
621	R	28.4	Very low	31.8	Very low	233 Å²	233	147.8 Å²	147.8	88%	0.879	83%	0.831	S	S	*	*			trans	-103.7	150.6	-172.7	-49.4	172.3	-169.8	151.7	1.5	110.4
622	H	35.1	Very low	32.2	Very low	197 Å²	197	144.8 Å²	144.8	91%	0.912	82%	0.82	S	S	*	*			trans	-148.3	164.5	135.1	-92.9	-66.1	0	0	0	109.2
623	S	35.8	Very low	32.6	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	82%	0.821	S	S	*	*			trans	-117.9	158.6	-147	48.7	0	0	0	0	116.2
624	H	31.1	Very low	33.4	Very low	180 Å²	180	146.5 Å²	146.5	83%	0.833	83%	0.826	S	S	*	*			trans	-51.3	157.1	-178.6	-39.4	-93.5	0	0	0	116.6
625	T	33.4	Very low	33.7	Very low	149 Å²	149	146.9 Å²	146.9	91%	0.914	82%	0.822	S	S	*	*			trans	-146.5	157.2	130.6	-61.4	0	0	0	0	108
626	L	30.4	Very low	34	Very low	164 Å²	164	145 Å²	145	86%	0.859	82%	0.819	S	S	*	*			trans	-135.3	138.6	-162.8	-168.6	91.9	0	0	0	111.6
627	S	34.5	Very low	34	Very low	116 Å²	116	144.8 Å²	144.8	81%	0.811	82%	0.818	S	S	*	*			trans	-167.9	120.3	160.5	56.6	0	0	0	0	113.6
628	T	33.3	Very low	34.4	Very low	129 Å²	129	145 Å²	145	79%	0.791	81%	0.811	S	S	*	*			trans	-105.6	170.8	158.4	47.9	0	0	0	0	109.7
629	P	39.7	Very low	34.8	Very low	126 Å²	126	146.8 Å²	146.8	82%	0.818	81%	0.811	S	S	*	*				-146.1	174.4	101.1	38	-21.8	0	0	0	115.1
630	E	31.6	Very low	35.5	Very low	175 Å²	175	146.3 Å²	146.3	82%	0.818	81%	0.806	S	S	*	*			trans	-101.1	167.7	179.4	-53	177.2	113.8	0	0	112.8
631	H	38.7	Very low	36.3	Very low	182 Å²	182	141.2 Å²	141.2	84%	0.843	80%	0.795	S	S	*	*			trans	-173.5	113.5	135.7	-102.2	-59.7	0	0	0	115.6
632	T	35.4	Very low	36.8	Very low	111 Å²	111	138 Å²	138	68%	0.681	80%	0.795	S	S	*	*				59.4	97.4	128.6	-48.4	0	0	0	0	123.2
633	M	36.9	Very low	36.6	Very low	170 Å²	170	134.3 Å²	134.3	84%	0.837	79%	0.791	S	S	*	*				51.2	168.1	114	-65	-67.3	-161.4	0	0	123.1
634	P	44.7	Very low	36.8	Very low	97 Å²	97	134.3 Å²	134.3	63%	0.63	79%	0.788	S	S	*	*			cis	-141.3	-158.3	-39.3	37.5	-15.7	0	0	0	114.8
635	L	35.7	Very low	37.3	Very low	153 Å²	153	133.4 Å²	133.4	80%	0.801	79%	0.789	S	S	*	*			trans	86	146.5	165.9	-55.1	145.6	0	0	0	116.5
636	T	36.8	Very low	37.7	Very low	110 Å²	110	131.6 Å²	131.6	68%	0.675	78%	0.779	S	S	*	*			cis	-160.8	151.9	1.2	-0.2	0	0	0	0	112.8
637	T	35.4	Very low	38.3	Very low	139 Å²	139	128.8 Å²	128.8	85%	0.853	77%	0.771	S	S	*	*			trans	53.3	145.7	154.5	52	0	0	0	0	120.5
638	A	37.5	Very low	38.2	Very low	92 Å²	92	131 Å²	131	76%	0.76	77%	0.773	S	S	*	*			cis	-163.9	-166.4	-10.8	0	0	0	0	0	106.5
639	S	38.3	Very low	38.4	Very low	114 Å²	114	130.9 Å²	130.9	80%	0.797	78%	0.777	S	S	*	*			cis	-160.2	168.9	3	-141.8	0	0	0	0	109.7
640	P	40.8	Very low	38	Very low	117 Å²	117	131.2 Å²	131.2	76%	0.76	78%	0.777	S	S	*	*			trans	-118.5	-149	-162.2	42.3	-26.9	0	0	0	116
641	P	48.4	Very low	38.3	Very low	106 Å²	106	128 Å²	128	69%	0.688	77%	0.774	S	S	*	*				-129	-177	-105.4	41.8	-23.2	0	0	0	116.1
642	N	39.2	Very low	38	Very low	164 Å²	164	126.3 Å²	126.3	88%	0.877	77%	0.769	S	S	*	*			trans	179.9	161.6	141.4	-95	-31	0	0	0	114.9
643	C	31.3	Very low	37.9	Very low	121 Å²	121	126.5 Å²	126.5	82%	0.818	77%	0.771	S	S	*	*			trans	-109.5	-165.3	174.6	-54.1	0	0	0	0	109.9
644	P	40.6	Very low	37.9	Very low	106 Å²	106	123.7 Å²	123.7	69%	0.688	76%	0.763	S	S	*	*			cis	-146.2	163.3	1.7	42.9	-22.6	0	0	0	120.1
645	L	40.4	Very low	37.3	Very low	161 Å²	161	126.3 Å²	126.3	84%	0.843	77%	0.772	S	S	*	*			trans	67.9	-177.7	146.6	-63.6	166.5	0	0	0	118.7
646	P	41.8	Very low	37.3	Very low	111 Å²	111	125.5 Å²	125.5	72%	0.721	78%	0.778	S	S	*	*				-138.5	-142.5	-105.3	44.3	-19.7	0	0	0	112.3
647	P	43.3	Very low	37	Very low	105 Å²	105	129.5 Å²	129.5	68%	0.682	79%	0.786	S	S	*	*			cis	-129.1	-179	-28.6	40.9	-24.6	0	0	0	115
648	L	33.6	Very low	37.1	Very low	162 Å²	162	131.4 Å²	131.4	85%	0.848	78%	0.783	S	S	*	*			trans	42.5	123.2	150.9	-99	71	0	0	0	122.6
649	S	36.3	Very low	37.1	Very low	127 Å²	127	134 Å²	134	89%	0.888	78%	0.783	S	S	*	*				-173	169.8	116	-82.4	0	0	0	0	113
650	T	31.5	Very low	36.7	Very low	132 Å²	132	138.6 Å²	138.6	81%	0.81	79%	0.785	S	S	*	*			trans	-103	171	-160.2	44.6	0	0	0	0	116.6
651	S	37.2	Very low	36.5	Very low	107 Å²	107	138.2 Å²	138.2	75%	0.748	78%	0.782	S	S	*	*			trans	92.4	151.9	152.3	88.6	0	0	0	0	117.7
652	I	33.9	Very low	35.8	Very low	147 Å²	147	138.7 Å²	138.7	75%	0.754	78%	0.783	S	S	*	*			cis	-166.3	170.3	-18.4	-111.9	167.8	0	0	0	108.1
653	T	33.5	Very low	35.7	Very low	115 Å²	115	141.1 Å²	141.1	71%	0.706	79%	0.786	S	S	*	*			trans	72	107.1	163.6	35.6	0	0	0	0	123.6
654	T	35.5	Very low	35.6	Very low	112 Å²	112	147 Å²	147	69%	0.687	79%	0.791	S	S	*	*				55	118.3	122.5	60.8	0	0	0	0	124.4
655	N	32.5	Very low	35.3	Very low	151 Å²	151	147.5 Å²	147.5	81%	0.807	80%	0.797	S	S	*	*				45.6	122.1	123.3	-56.4	-3.7	0	0	0	121.7
656	C	35.4	Very low	34.9	Very low	136 Å²	136	144.9 Å²	144.9	92%	0.919	79%	0.792	S	S	*	*				-149.6	172.6	127.3	-132.7	0	0	0	0	112.2
657	F	31.4	Very low	34.5	Very low	194 Å²	194	149.1 Å²	149.1	85%	0.851	80%	0.799	S	S	*	*			trans	-111.3	174.6	-157.8	-114.6	-100.9	0	0	0	114.4
658	K	36.6	Very low	34.1	Very low	180 Å²	180	153.1 Å²	153.1	78%	0.783	81%	0.809	S	S	*	*			trans	80.3	145.7	164.9	-70.5	175.9	-176.7	179	0	117.1
659	D	37.1	Very low	34.2	Very low	145 Å²	145	151.1 Å²	151.1	78%	0.775	81%	0.806	S	S	*	*			cis	-138.9	168.8	6.2	-96.7	-42.5	0	0	0	113.8
660	Y	29.8	Very low	34	Very low	211 Å²	211	149.5 Å²	149.5	83%	0.827	80%	0.8	S	S	*	*			trans	-95.5	-178.3	174.4	-96.5	-106	0	0	0	111.2	V662	Y660-V662 HydrophobicContact CD1-CG2 4.32Å
661	P	38	Very low	34.3	Very low	109 Å²	109	149.6 Å²	149.6	71%	0.708	80%	0.8	S	S	*	*			cis	-137.9	153.3	7.9	37.8	-17.6	0	0	0	119.3
662	V	32.6	Very low	34.3	Very low	117 Å²	117	150.2 Å²	150.2	71%	0.709	80%	0.799	S	S	*	*			trans	36	117.3	134.6	-171.2	0	0	0	0	120.8	Y660	Y660-V662 HydrophobicContact CD1-CG2 4.32Å
663	K	36.6	Very low	34.4	Very low	214 Å²	214	150.7 Å²	150.7	93%	0.93	80%	0.798	S	S	*	*				-144	153.5	129.5	-114.6	170.7	-172.9	174.6	0	111
664	R	29.8	Very low	34.6	Very low	246 Å²	246	153.6 Å²	153.6	93%	0.928	80%	0.804	S	S	*	*			trans	-106	128	-158.1	-165.7	-172.7	-153	168.7	6.1	112
665	S	34.5	Very low	34.9	Very low	115 Å²	115	156.9 Å²	156.9	80%	0.804	81%	0.809	S	S	*	*			trans	-146.7	143.6	161.1	-171.5	0	0	0	0	108.7
666	S	31.1	Very low	35.8	Very low	106 Å²	106	156.1 Å²	156.1	74%	0.741	80%	0.8	S	S	*	*			trans	-114.5	119.6	-165.5	54.5	0	0	0	0	113.1
667	F	35	Very low	36.7	Very low	200 Å²	200	157.3 Å²	157.3	88%	0.877	80%	0.797	S	S	*	*			trans	-133.4	121	156.2	-84	-89.2	0	0	0	108.6
668	Q	33.5	Very low	37.9	Very low	189 Å²	189	153.5 Å²	153.5	88%	0.883	78%	0.778	S	S	*	*			trans	-115.1	128.3	161	-87.3	-168.8	-24.4	0	0	107.8
669	P	35.5	Very low	39.1	Very low	120 Å²	120	148.5 Å²	148.5	78%	0.779	76%	0.764	S	S	*	*			trans	-69.9	134.2	157.2	-7.9	25.2	0	0	0	108.5	V671	P669-V671 PolarHBondContact O-N 3.09Å
670	A	33.4	Very low	40.7	Very low	94 Å²	94	147.4 Å²	147.4	78%	0.777	75%	0.754	S	S	*	*			trans	-75.1	117.6	174.6	0	0	0	0	0	110.1
671	V	37.3	Very low	42.9	Very low	133 Å²	133	139.6 Å²	139.6	81%	0.806	73%	0.728	S	S	*	*			trans	-80.9	115.5	164.5	178.6	0	0	0	0	107.4	P669 E673	P669-V671 PolarHBondContact O-N 3.09Å; V671-E673 PolarHBondContact O-N 3.18Å
672	V	36.7	Very low	44.9	Very low	120 Å²	120	136 Å²	136	73%	0.727	70%	0.702	S	S	*	*			trans	-85.5	103.8	171.3	179.4	0	0	0	0	107.7	E674	V672-E674 HydrophobicContact CG1-CG 4.3Å; V672-E674 PolarHBondContact O-N 3.33Å; V672-E674 VanDerWaalsContact O-N 3.1Å
673	E	36.8	Very low	47.4	Very low	158 Å²	158	133.4 Å²	133.4	74%	0.738	68%	0.684	S	S	*	*			trans	-71.4	95.3	165	-72.5	-168.6	149.4	0	0	109.3	V671 K675	V671-E673 PolarHBondContact O-N 3.18Å; E673-K675 VanDerWaalsContact C-N 3.31Å; E673-K675 PolarHBondContact O-N 3.29Å
674	E	37	Very low	49.7	Very low	176 Å²	176	126.1 Å²	126.1	82%	0.822	65%	0.65	S	S	*	*			trans	-68.3	94.1	160.3	-73.2	-162.8	123	0	0	108.9	V672 E676	V672-E674 HydrophobicContact CG1-CG 4.3Å; V672-E674 PolarHBondContact O-N 3.33Å; V672-E674 VanDerWaalsContact O-N 3.1Å; E674-E676 PolarHBondContact O-N 2.89Å
675	K	42.5	Very low	52.5	Low	181 Å²	181	116.1 Å²	116.1	79%	0.787	61%	0.613	S	S	*	*			trans	-65.9	96.1	166.7	-87.6	-174.8	172.6	177.5	0	109.4	E673 N677	E673-K675 VanDerWaalsContact C-N 3.31Å; E673-K675 PolarHBondContact O-N 3.29Å; K675-N677 PolarHBondContact O-N 3.36Å; K675-N677 VanDerWaalsContact O-N 3.1Å
676	E	51.4	Low	55.1	Low	135 Å²	135	110.7 Å²	110.7	63%	0.631	58%	0.575	S	S	*	*			trans	-52.1	116.2	168	-70.1	-166.4	122.5	0	0	109.9	E674 Y678	E674-E676 PolarHBondContact O-N 2.89Å; E676-Y678 HydrophobicContact CB-CD2 3.86Å; E676-Y678 HydrophobicContact CB-CE2 3.42Å; E676-Y678 VanDerWaalsContact CB-CE2 3.42Å; E676-Y678 HydrophobicContact CG-CE2 4.29Å; E676-Y678 WeakPolarHBondContact O-CD2 3.32Å; E676-Y678 PolarHBondContact O-N 2.9Å; E676-Y678 WeakPolarHBondContact OE2-CE2 3.42Å; E676-Y678 VanDerWaalsContact OE2-CZ 3.26Å; E676-Y678 PolarHBondContact OE2-OH 3.36Å
677	N	54	Low	57.9	Low	161 Å²	161	107.1 Å²	107.1	86%	0.861	55%	0.547	S	S	*	.			trans	-80.6	69	-173.8	-175.1	78.4	0	0	0	111.1	K675	K675-N677 PolarHBondContact O-N 3.36Å; K675-N677 VanDerWaalsContact O-N 3.1Å
678	Y	55.8	Low	60.3	Low	114 Å²	114	98.1 Å²	98.1	45%	0.447	51%	0.508	S	S	.	.			trans	-62.5	145.4	171.1	-71	-76.9	0	0	0	111.1	E676	E676-Y678 HydrophobicContact CB-CD2 3.86Å; E676-Y678 HydrophobicContact CB-CE2 3.42Å; E676-Y678 VanDerWaalsContact CB-CE2 3.42Å; E676-Y678 HydrophobicContact CG-CE2 4.29Å; E676-Y678 WeakPolarHBondContact O-CD2 3.32Å; E676-Y678 PolarHBondContact O-N 2.9Å; E676-Y678 WeakPolarHBondContact OE2-CE2 3.42Å; E676-Y678 VanDerWaalsContact OE2-CZ 3.26Å; E676-Y678 PolarHBondContact OE2-OH 3.36Å
679	P	62.1	Low	62.7	Low	75 Å²	75	95 Å²	95	49%	0.487	49%	0.494	S	S	.	.			trans	-66.3	136.7	177.4	28.9	-35	0	0	0	110.8	F242 V681	F242-P679 WeakPolarHBondContact CD2-O 3.34Å; P679-V681 PolarHBondContact O-N 3.17Å; P679-V681 VanDerWaalsContact O-N 3.17Å
680	E	70.9	Confident	64.9	Low	121 Å²	121	91.9 Å²	91.9	57%	0.565	47%	0.466	S	S	*	.	S	Bend	trans	-67.1	-11.8	174.1	-56.1	-161.2	154	0	0	112.9	R241 F242 K244	R241-E680 CarbonylContact C-O 3.02Å; R241-E680 WeakPolarHBondContact CA-O 3.48Å; F242-E680 PolarHBondContact N-O 2.81Å; K244-E680 WeakPolarHBondContact CE-OE1 3.3Å; K244-E680 IonicContact NZ-OE1 3.84Å; K244-E680 PolarHBondContact NZ-OE1 2.71Å; K244-E680 IonicContact NZ-OE2 2.77Å; K244-E680 PolarHBondContact NZ-OE2 2.73Å
681	V	77.4	Confident	67.3	Low	47 Å²	47	90.8 Å²	90.8	29%	0.285	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126.1	-174.3	-173.3	0	0	0	0	110.5	E239 F240 R241 P679 I683	E239-V681 HydrophobicContact CG-CG1 3.47Å; E239-V681 VanDerWaalsContact CG-CG1 3.47Å; F240-V681 WeakPolarHBondContact O-CA 3.44Å; R241-V681 HydrophobicContact CB-CG2 4.38Å; R241-V681 HydrophobicContact CG-CB 4.47Å; R241-V681 HydrophobicContact CG-CG1 4.15Å; R241-V681 HydrophobicContact CG-CG2 3.79Å; P679-V681 PolarHBondContact O-N 3.17Å; P679-V681 VanDerWaalsContact O-N 3.17Å; V681-I683 HydrophobicContact CG1-CG1 4.2Å
682	E	79.3	Confident	69.6	Low	35 Å²	35	85 Å²	85	16%	0.164	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	138.8	171.8	-177.5	65.3	-165.9	0	0	109.7	E239 F240 F242 F255 R684	E239-E682 WeakPolarHBondContact CA-O 3.24Å; F240-E682 PolarHBondContact N-O 3.02Å; F240-E682 PolarHBondContact O-N 2.86Å; F242-E682 HydrophobicContact CE2-CB 3.71Å; F242-E682 HydrophobicContact CZ-CB 3.65Å; F242-E682 HydrophobicContact CZ-CG 4.31Å; F255-E682 HydrophobicContact CD1-CG 3.88Å; F255-E682 HydrophobicContact CE1-CB 4.16Å; F255-E682 HydrophobicContact CE1-CG 3.33Å; F255-E682 HydrophobicContact CZ-CG 4.09Å; E682-R684 IonicContact OE1-CZ 3.23Å; E682-R684 IonicContact OE1-NE 3.88Å; E682-R684 PolarHBondContact OE1-NE 3.48Å; E682-R684 IonicContact OE1-NH2 2.7Å; E682-R684 PolarHBondContact OE1-NH2 3.12Å
683	I	84.3	Confident	71.7	Confident	61 Å²	61	80.6 Å²	80.6	31%	0.313	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.5	177.2	-52.5	179.4	0	0	0	109.8	K237 Y238 E239 V681 Y685	K237-I683 HydrophobicContact CG-CG2 3.98Å; Y238-I683 CarbonylContact O-C 3.5Å; Y238-I683 VanDerWaalsContact O-CA 3.32Å; Y238-I683 WeakPolarHBondContact O-CA 3.32Å; Y238-I683 WeakPolarHBondContact O-CG2 3.46Å; E239-I683 HydrophobicContact CB-CG1 4.36Å; E239-I683 HydrophobicContact CG-CD1 4.47Å; E239-I683 HydrophobicContact CG-CG1 4.06Å; V681-I683 HydrophobicContact CG1-CG1 4.2Å; I683-Y685 HydrophobicContact CB-CE2 4.31Å; I683-Y685 HydrophobicContact CG2-CD2 4.34Å; I683-Y685 HydrophobicContact CG2-CE1 4.05Å; I683-Y685 HydrophobicContact CG2-CE2 3.66Å
684	R	85.2	Confident	73.3	Confident	62 Å²	62	76 Å²	76	23%	0.234	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.8	176.6	-66.6	-72.6	159.7	167.9	-6.2	111	Y238 F255 L259 W596 E682 Y686	Y238-R684 PolarHBondContact N-O 3.33Å; Y238-R684 PolarHBondContact O-N 3.1Å; F255-R684 HydrophobicContact CE1-CG 3.64Å; F255-R684 HydrophobicContact CZ-CB 4.14Å; F255-R684 HydrophobicContact CZ-CG 3.71Å; L259-R684 HydrophobicContact CD1-CB 4.47Å; L259-R684 HydrophobicContact CD1-CG 4.23Å; W596-R684 VanDerWaalsContact CG-NH2 3.33Å; W596-R684 HydrophobicContact CH2-CG 4.23Å; W596-R684 HydrophobicContact CZ2-CG 4.34Å; E682-R684 IonicContact OE1-CZ 3.23Å; E682-R684 IonicContact OE1-NE 3.88Å; E682-R684 PolarHBondContact OE1-NE 3.48Å; E682-R684 IonicContact OE1-NH2 2.7Å; E682-R684 PolarHBondContact OE1-NH2 3.12Å; R684-Y686 HydrophobicContact CB-CE2 3.73Å
685	Y	89.3	Confident	74.3	Confident	36 Å²	36	75.6 Å²	75.6	14%	0.141	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.5	-173.2	-59.5	-85.8	0	0	0	109.7	K237 V275 K277 F280 I683	K237-Y685 HydrophobicContact CB-CD1 4.37Å; K237-Y685 HydrophobicContact CG-CD1 4.13Å; K237-Y685 HydrophobicContact CG-CE1 3.92Å; V275-Y685 PolarHBondContact N-O 2.97Å; K277-Y685 HydrophobicContact CB-CD2 4.23Å; K277-Y685 HydrophobicContact CB-CE2 3.71Å; K277-Y685 HydrophobicContact CG-CE1 4.42Å; K277-Y685 HydrophobicContact CG-CE2 4.09Å; F280-Y685 HydrophobicContact CB-CD1 3.84Å; F280-Y685 HydrophobicContact CB-CG 4.1Å; F280-Y685 AromaticContact CD1-CD1 3.59Å; F280-Y685 HydrophobicContact CD1-CD1 3.59Å; F280-Y685 AromaticContact CD1-CE1 3.97Å; F280-Y685 HydrophobicContact CD1-CE1 3.97Å; F280-Y685 AromaticContact CD2-CD1 3.72Å; F280-Y685 HydrophobicContact CD2-CD1 3.72Å; F280-Y685 HydrophobicContact CD2-CG 4.19Å; F280-Y685 AromaticContact CE1-CD1 4Å; F280-Y685 HydrophobicContact CE1-CD1 4Å; F280-Y685 HydrophobicContact CE1-CE1 4.34Å; F280-Y685 HydrophobicContact CE2-CD1 4.09Å; F280-Y685 AromaticContact CG-CD1 3.43Å; F280-Y685 HydrophobicContact CG-CD1 3.43Å; F280-Y685 VanDerWaalsContact CG-CD1 3.43Å; F280-Y685 HydrophobicContact CG-CE1 4.24Å; F280-Y685 HydrophobicContact CG-CG 4.07Å; F280-Y685 HydrophobicContact CZ-CD1 4.23Å; I683-Y685 HydrophobicContact CB-CE2 4.31Å; I683-Y685 HydrophobicContact CG2-CD2 4.34Å; I683-Y685 HydrophobicContact CG2-CE1 4.05Å; I683-Y685 HydrophobicContact CG2-CE2 3.66Å
686	Y	89.7	Confident	74.9	Confident	1 Å²	1	70.7 Å²	70.7	0%	0.004	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.6	179.5	-55.2	-83.2	0	0	0	111	K235 F236 Y238 L259 F268 D273 A274 R684	K235-Y686 WeakPolarHBondContact CA-O 3.49Å; F236-Y686 PolarHBondContact N-O 3.02Å; F236-Y686 PolarHBondContact O-N 3.06Å; Y238-Y686 AromaticContact CD2-CD2 3.91Å; Y238-Y686 HydrophobicContact CD2-CD2 3.91Å; Y238-Y686 AromaticContact CD2-CE2 3.89Å; Y238-Y686 HydrophobicContact CD2-CE2 3.89Å; Y238-Y686 HydrophobicContact CE2-CD2 4.18Å; Y238-Y686 HydrophobicContact CE2-CE2 4.47Å; L259-Y686 HydrophobicContact CD2-CE2 3.89Å; F268-Y686 AromaticContact CD2-CD1 3.79Å; F268-Y686 HydrophobicContact CD2-CD1 3.79Å; F268-Y686 HydrophobicContact CD2-CD2 4.19Å; F268-Y686 HydrophobicContact CD2-CE1 4.27Å; F268-Y686 AromaticContact CD2-CG 3.76Å; F268-Y686 HydrophobicContact CD2-CG 3.76Å; F268-Y686 AromaticContact CE2-CD1 3.92Å; F268-Y686 HydrophobicContact CE2-CD1 3.92Å; F268-Y686 AromaticContact CE2-CD2 3.69Å; F268-Y686 HydrophobicContact CE2-CD2 3.69Å; F268-Y686 HydrophobicContact CE2-CE1 4.06Å; F268-Y686 AromaticContact CE2-CE2 3.83Å; F268-Y686 HydrophobicContact CE2-CE2 3.83Å; F268-Y686 AromaticContact CE2-CG 3.75Å; F268-Y686 HydrophobicContact CE2-CG 3.75Å; F268-Y686 HydrophobicContact CG-CG 4.49Å; F268-Y686 HydrophobicContact CZ-CD2 4.08Å; F268-Y686 HydrophobicContact CZ-CE2 4.3Å; F268-Y686 HydrophobicContact CZ-CG 4.46Å; D273-Y686 VanDerWaalsContact O-CA 3.27Å; D273-Y686 WeakPolarHBondContact O-CA 3.15Å; A274-Y686 HydrophobicContact CB-CD1 4.06Å; A274-Y686 HydrophobicContact CB-CE1 3.86Å; R684-Y686 HydrophobicContact CB-CE2 3.73Å
687	I	88.3	Confident	74.4	Confident	30 Å²	30	73.4 Å²	73.4	15%	0.154	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.6	172.7	-56.2	-174.6	0	0	0	108.8	V233 E234 K235 D273 V275 V279 F280 A283	V233-I687 HydrophobicContact CG1-CG2 3.32Å; E234-I687 WeakPolarHBondContact O-CA 3.48Å; K235-I687 HydrophobicContact CG-CG1 4.3Å; D273-I687 PolarHBondContact O-N 3Å; V275-I687 HydrophobicContact CB-CD1 4.41Å; V275-I687 HydrophobicContact CB-CG1 4.38Å; V275-I687 HydrophobicContact CG1-CB 4.06Å; V275-I687 HydrophobicContact CG1-CD1 3.93Å; V275-I687 HydrophobicContact CG1-CG1 3.82Å; V275-I687 HydrophobicContact CG2-CD1 3.94Å; V275-I687 HydrophobicContact CG2-CG1 3.7Å; V279-I687 HydrophobicContact CG1-CD1 4Å; F280-I687 HydrophobicContact CD2-CG1 4.36Å; A283-I687 HydrophobicContact CB-CD1 3.7Å
688	V	85.8	Confident	73.6	Confident	12 Å²	12	70.8 Å²	70.8	7%	0.073	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.5	173.3	-177.6	0	0	0	0	109.1	V233 E234 F236 F268 D273 R690	V233-V688 CarbonylContact C-O 3.53Å; V233-V688 VanDerWaalsContact CA-O 3.31Å; V233-V688 WeakPolarHBondContact CA-O 3.48Å; E234-V688 PolarHBondContact N-O 3.49Å; E234-V688 PolarHBondContact O-N 3.21Å; F236-V688 HydrophobicContact CD2-CG2 4.49Å; F236-V688 HydrophobicContact CE2-CB 4.49Å; F236-V688 HydrophobicContact CE2-CG2 3.98Å; F268-V688 HydrophobicContact CB-CG2 3.33Å; D273-V688 HydrophobicContact CB-CG2 4.32Å; V688-R690 HydrophobicContact CG1-CG 3.98Å
689	E	83.3	Confident	72.4	Confident	123 Å²	123	70.8 Å²	70.8	58%	0.575	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	105.2	166.2	-169.8	171.2	-179.4	0	0	110.3	S231 V233	S231-E689 VanDerWaalsContact CB-OE1 3.28Å; S231-E689 WeakPolarHBondContact CB-OE1 3.49Å; S231-E689 VanDerWaalsContact OG-CD 3.32Å; S231-E689 VanDerWaalsContact OG-CG 3.31Å; S231-E689 WeakPolarHBondContact OG-CG 3.46Å; S231-E689 PolarHBondContact OG-OE1 2.76Å; V233-E689 HydrophobicContact CG2-CG 4.29Å
690	R	82.7	Confident	71.2	Confident	54 Å²	54	73.3 Å²	73.3	20%	0.204	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.7	173.7	-56.8	-164.6	-164.7	-68.4	-4.8	110.1	S231 R232 E234 H266 G267 V688 Y692	S231-R690 CarbonylContact C-O 3.49Å; S231-R690 WeakPolarHBondContact CA-O 3.38Å; R232-R690 PolarHBondContact N-O 3.33Å; R232-R690 PolarHBondContact O-N 2.91Å; E234-R690 IonicContact OE2-CZ 3.67Å; E234-R690 IonicContact OE2-NE 3.37Å; E234-R690 PolarHBondContact OE2-NE 3.09Å; E234-R690 IonicContact OE2-NH2 3.16Å; E234-R690 PolarHBondContact OE2-NH2 3.18Å; H266-R690 PolarHBondContact O-NH1 2.91Å; H266-R690 PolarHBondContact O-NH2 3.43Å; G267-R690 PolarHBondContact O-NH1 3.21Å; V688-R690 HydrophobicContact CG1-CG 3.98Å; R690-Y692 HydrophobicContact CB-CE2 3.84Å; R690-Y692 WeakPolarHBondContact CD-OH 3.37Å
691	Y	84.2	Confident	69.5	Low	72 Å²	72	73.3 Å²	73.3	28%	0.282	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.9	176.5	-165.2	-88.2	0	0	0	112.2	S229 G693 P694 E695 P696	S229-Y691 WeakPolarHBondContact CB-OH 3.23Å; S229-Y691 PolarHBondContact OG-OH 3.31Å; S229-Y691 VanDerWaalsContact OG-OH 3.08Å; Y691-G693 WeakPolarHBondContact CE1-O 3.18Å; Y691-P694 WeakPolarHBondContact CE1-O 3.22Å; Y691-P694 PolarHBondContact OH-O 3.1Å; Y691-E695 VanDerWaalsContact CE1-CA 3.5Å; Y691-P696 HydrophobicContact CD2-CG 4.16Å; Y691-P696 HydrophobicContact CE2-CG 3.44Å; Y691-P696 VanDerWaalsContact CE2-CG 3.44Å; Y691-P696 WeakPolarHBondContact OH-CD 3.35Å
692	Y	84.9	Confident	67.6	Low	10 Å²	10	76.5 Å²	76.5	4%	0.039	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.6	177	-55.1	-85.1	0	0	0	110.6	R216 I219 E220 S229 I230 R232 R690	R216-Y692 HydrophobicContact CG-CE1 4.19Å; I219-Y692 HydrophobicContact CB-CD1 4.17Å; I219-Y692 HydrophobicContact CB-CE1 4.42Å; I219-Y692 HydrophobicContact CB-CG 4.37Å; I219-Y692 HydrophobicContact CD1-CE1 4.38Å; I219-Y692 HydrophobicContact CG2-CD1 3.8Å; I219-Y692 HydrophobicContact CG2-CD2 3.74Å; I219-Y692 HydrophobicContact CG2-CE1 4.3Å; I219-Y692 HydrophobicContact CG2-CE2 4.24Å; I219-Y692 HydrophobicContact CG2-CG 3.49Å; I219-Y692 VanDerWaalsContact CG2-CG 3.49Å; E220-Y692 HydrophobicContact CG-CD1 4.15Å; S229-Y692 WeakPolarHBondContact CA-O 3.31Å; I230-Y692 HydrophobicContact CG2-CD2 4.35Å; I230-Y692 PolarHBondContact N-O 3.36Å; I230-Y692 WeakPolarHBondContact O-CD2 3.47Å; I230-Y692 PolarHBondContact O-N 3.42Å; R232-Y692 HydrophobicContact CB-CE2 4.49Å; R690-Y692 HydrophobicContact CB-CE2 3.84Å; R690-Y692 WeakPolarHBondContact CD-OH 3.37Å
693	G	81.2	Confident	65.6	Low	29 Å²	29	81.6 Å²	81.6	30%	0.299	45%	0.445	S	S	.	.	S	Bend	trans	98.9	-167.3	-177.6	0	0	0	0	0	113.6	T223 Y691 E695	T223-G693 PolarHBondContact OG1-N 2.88Å; Y691-G693 WeakPolarHBondContact CE1-O 3.18Å; G693-E695 PolarHBondContact O-N 3.04Å
694	P	69.5	Low	63.3	Low	60 Å²	60	87.7 Å²	87.7	39%	0.39	47%	0.473	S	S	.	.	S	Bend	trans	-66.2	124.7	178.4	-19.6	33.7	0	0	0	111	I390 Y691	I390-P694 HydrophobicContact CD1-CB 4.25Å; I390-P694 HydrophobicContact CD1-CG 4.02Å; Y691-P694 WeakPolarHBondContact CE1-O 3.22Å; Y691-P694 PolarHBondContact OH-O 3.1Å
695	E	57.7	Low	60.9	Low	169 Å²	169	93.1 Å²	93.1	79%	0.79	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-49.8	145.3	-176.5	-169	171.9	-154.4	0	0	112.7	Y691 G693 R697	Y691-E695 VanDerWaalsContact CE1-CA 3.5Å; G693-E695 PolarHBondContact O-N 3.04Å; E695-R697 PolarHBondContact O-N 3.23Å
696	P	55.9	Low	58.1	Low	77 Å²	77	102 Å²	102	50%	0.5	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-61.2	127.1	176.2	-16.5	31.6	0	0	0	108.5	Y691 P698	Y691-P696 HydrophobicContact CD2-CG 4.16Å; Y691-P696 HydrophobicContact CE2-CG 3.44Å; Y691-P696 VanDerWaalsContact CE2-CG 3.44Å; Y691-P696 WeakPolarHBondContact OH-CD 3.35Å; P696-P698 WeakPolarHBondContact O-CD 2.83Å; P696-P698 VanDerWaalsContact O-N 3.16Å
697	R	41.9	Very low	55.7	Low	193 Å²	193	107.4 Å²	107.4	73%	0.728	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-58.9	125.4	172.1	-110.8	-174	-63	-150.4	2.5	107.8	E695	E695-R697 PolarHBondContact O-N 3.23Å
698	P	36.8	Very low	53.4	Low	106 Å²	106	111.5 Å²	111.5	69%	0.688	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-57.3	147.6	174.5	23.9	-33.3	0	0	0	109.3	P696	P696-P698 WeakPolarHBondContact O-CD 2.83Å; P696-P698 VanDerWaalsContact O-N 3.16Å
699	P	31.2	Very low	51.3	Low	114 Å²	114	118.4 Å²	118.4	74%	0.74	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-56.7	142	178.2	24.8	-33.9	0	0	0	109.7	S701	P699-S701 PolarHBondContact O-N 3.05Å; P699-S701 VanDerWaalsContact O-N 3.12Å
700	P	36.2	Very low	49.2	Very low	127 Å²	127	121 Å²	121	83%	0.825	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-58.9	121.4	-179.6	24.9	-33.6	0	0	0	109.4	S702	P700-S702 PolarHBondContact O-N 3.49Å
701	S	34.8	Very low	47.2	Very low	121 Å²	121	121.7 Å²	121.7	85%	0.846	67%	0.667	S	S	*	*			trans	-60.7	113.2	-174	38.9	0	0	0	0	110.7	P699 I703	P699-S701 PolarHBondContact O-N 3.05Å; P699-S701 VanDerWaalsContact O-N 3.12Å; S701-I703 PolarHBondContact O-N 3.3Å
702	S	36.9	Very low	45.1	Very low	114 Å²	114	127.9 Å²	127.9	80%	0.797	70%	0.699	S	S	*	*			trans	-69.8	101.3	-174.2	54.3	0	0	0	0	111.2	P700	P700-S702 PolarHBondContact O-N 3.49Å
703	I	37.6	Very low	43.1	Very low	142 Å²	142	136.7 Å²	136.7	73%	0.728	74%	0.737	S	S	*	*			trans	46.5	90.4	162.6	-51	178.3	0	0	0	113.4	S701 Q705	S701-I703 PolarHBondContact O-N 3.3Å; I703-Q705 VanDerWaalsContact C-N 3.29Å; I703-Q705 HydrophobicContact CG2-CG 4.17Å; I703-Q705 PolarHBondContact O-N 3.08Å
704	Q	35.4	Very low	41	Very low	190 Å²	190	142.9 Å²	142.9	89%	0.888	76%	0.763	S	S	*	*			trans	-64.5	90	165.2	-169.6	176.7	32.3	0	0	109.6	R706	Q704-R706 PolarHBondContact O-N 2.79Å
705	Q	35.8	Very low	40.4	Very low	176 Å²	176	145.2 Å²	145.2	82%	0.822	78%	0.778	S	S	*	*			trans	-62.2	106.6	175.2	-67	-173	4.5	0	0	108.7	I703	I703-Q705 VanDerWaalsContact C-N 3.29Å; I703-Q705 HydrophobicContact CG2-CG 4.17Å; I703-Q705 PolarHBondContact O-N 3.08Å
706	R	30.5	Very low	40	Very low	222 Å²	222	147 Å²	147	84%	0.838	80%	0.801	S	S	*	*			trans	-64.1	128.5	172.2	-78.8	-176.4	171.2	-177.2	-3.1	108.8	Q704 V708	Q704-R706 PolarHBondContact O-N 2.79Å; R706-V708 PolarHBondContact O-N 3.13Å
707	P	40.1	Very low	39.2	Very low	115 Å²	115	150.5 Å²	150.5	75%	0.747	82%	0.816	S	S	*	*			trans	-64.1	122.5	169.7	27	-32.8	0	0	0	109.1	N709	P707-N709 PolarHBondContact O-N 2.84Å; P707-N709 VanDerWaalsContact O-N 3.1Å
708	V	38.9	Very low	39.1	Very low	116 Å²	116	148.3 Å²	148.3	70%	0.703	82%	0.82	S	S	*	*			trans	-81.7	87.9	177.6	-177.8	0	0	0	0	108.5	R706 H710	R706-V708 PolarHBondContact O-N 3.13Å; V708-H710 PolarHBondContact O-N 3.04Å; V708-H710 VanDerWaalsContact O-N 3.08Å
709	N	41.4	Very low	39.2	Very low	156 Å²	156	150.6 Å²	150.6	83%	0.834	83%	0.828	S	S	*	*			trans	-65.1	108.7	169.7	-94.5	-0.5	0	0	0	109.6	P707	P707-N709 PolarHBondContact O-N 2.84Å; P707-N709 VanDerWaalsContact O-N 3.1Å
710	H	39.2	Very low	39.7	Very low	179 Å²	179	152.8 Å²	152.8	83%	0.829	83%	0.833	S	S	*	*			trans	-76.1	130	169.8	-86.4	7.7	0	0	0	111	V708	V708-H710 PolarHBondContact O-N 3.04Å; V708-H710 VanDerWaalsContact O-N 3.08Å
711	G	41.6	Very low	39.9	Very low	68 Å²	68	154.4 Å²	154.4	70%	0.701	83%	0.833	S	S	*	*			trans	104.3	101	164.6	0	0	0	0	0	115.3
712	Q	40.3	Very low	40.2	Very low	201 Å²	201	156.6 Å²	156.6	94%	0.939	83%	0.832	S	S	*	*				-161.9	160.6	109.7	-101.8	170.2	37.2	0	0	111.9
713	K	41.9	Very low	40.5	Very low	195 Å²	195	159.6 Å²	159.6	85%	0.848	84%	0.835	S	S	*	*			trans	-45.9	142	-166	-65.1	173.6	172.2	178.5	0	117.2
714	L	36.9	Very low	40.7	Very low	159 Å²	159	161 Å²	161	83%	0.832	84%	0.843	S	S	*	*			trans	-73.6	147.4	142.1	-101	76.3	0	0	0	110.4
715	P	57.5	Low	41.1	Very low	110 Å²	110	158.6 Å²	158.6	71%	0.714	84%	0.839	S	S	*	*			trans	-121.2	119.4	149.1	33	-19.7	0	0	0	111.3
716	T	49.4	Very low	41.6	Very low	206 Å²	206	157 Å²	157	100%	1.264	84%	0.841	S	S	*	*			trans	47	0	169.4	53	0	0	0	0	117.1

Retrieved 716 of 716 residues in 1092.9 ms (Link to these results)

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