A0A077ZC36_TRITR Loading...

Kinase suppressor of Ras (KSR)

AlphaFold DB , UniProt , Accession A0A077ZC36, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 631 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure 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	43.7	Very low	40.3	Very low	204 Å²	204	143.5 Å²	143.5	100%	1.005	73%	0.734	S	S	*	*				0	-41.1	0	-78.7	-80.1	-170	0	0	112.9
2	N	46.3	Very low	39.8	Very low	138 Å²	138	147.7 Å²	147.7	74%	0.738	74%	0.743	S	S	*	*	H	α-helix	trans	-76	-23.6	179.7	-70.7	-11.5	0	0	0	115.3
3	W	40.1	Very low	39.5	Very low	190 Å²	190	155.2 Å²	155.2	72%	0.72	76%	0.757	S	S	*	*	H	α-helix	trans	-70.4	-34.1	177.9	-167.5	82.1	0	0	0	114.1	A6	W3-A6 PolarHBondContact O-N 3.43Å
4	L	38.2	Very low	38.9	Very low	103 Å²	103	159.6 Å²	159.6	54%	0.539	77%	0.771	S	S	.	*	H	α-helix	trans	-74.4	-24.2	-179.2	-78.3	160.7	0	0	0	113.5
5	K	45.2	Very low	38.5	Very low	179 Å²	179	154.3 Å²	154.3	78%	0.778	78%	0.775	S	S	*	*	H	α-helix	trans	-73.8	-27.1	174.8	-77.9	-176.5	176.5	180	0	112.7	K7	K5-K7 PolarHBondContact O-N 3.48Å
6	A	53.4	Low	38.5	Very low	89 Å²	89	150.9 Å²	150.9	74%	0.736	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-16.4	-177.3	0	0	0	0	0	114.4	W3	W3-A6 PolarHBondContact O-N 3.43Å
7	K	47.8	Very low	39	Very low	143 Å²	143	146.1 Å²	146.1	62%	0.622	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	8.4	-178.6	-75.1	-138.4	176.1	-171.9	0	115.5	K5 I9	K5-K7 PolarHBondContact O-N 3.48Å; K7-I9 HydrophobicContact CB-CD1 4.2Å; K7-I9 HydrophobicContact CB-CG1 4.24Å; K7-I9 PolarHBondContact O-N 3.08Å; K7-I9 VanDerWaalsContact O-N 3.08Å
8	G	32.3	Very low	39.8	Very low	69 Å²	69	140.5 Å²	140.5	71%	0.711	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.5	10.3	177.7	0	0	0	0	0	115.2	R10	G8-R10 PolarHBondContact O-N 3.18Å
9	I	35	Very low	41	Very low	113 Å²	113	136.4 Å²	136.4	58%	0.579	73%	0.731	S	S	*	*			trans	-82.6	98.7	179.9	-57.2	173.8	0	0	0	108.2	K7	K7-I9 HydrophobicContact CB-CD1 4.2Å; K7-I9 HydrophobicContact CB-CG1 4.24Å; K7-I9 PolarHBondContact O-N 3.08Å; K7-I9 VanDerWaalsContact O-N 3.08Å
10	R	28.5	Very low	42.4	Very low	229 Å²	229	130.2 Å²	130.2	86%	0.864	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-64.6	132.2	170.1	-68	-171.4	-170.1	-167.5	3.8	109.5	G8 K12	G8-R10 PolarHBondContact O-N 3.18Å; R10-K12 PolarHBondContact O-N 3.46Å
11	P	32.9	Very low	44.1	Very low	121 Å²	121	126 Å²	126	79%	0.786	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-65.8	121.8	173.9	25.6	-30.2	0	0	0	109.4	R13	P11-R13 PolarHBondContact O-N 3.25Å
12	K	34.6	Very low	46	Very low	194 Å²	194	123.2 Å²	123.2	84%	0.843	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-57.6	129.1	173.3	-96.3	-179.3	177.5	171.6	0	109.5	R10 K14	R10-K12 PolarHBondContact O-N 3.46Å; K12-K14 PolarHBondContact O-N 3.31Å
13	R	35.6	Very low	47.7	Very low	245 Å²	245	118.8 Å²	118.8	93%	0.925	64%	0.638	S	S	*	*			trans	-40.7	123.7	176.4	-75.7	174.2	165.9	165.2	-5.9	112.2	P11 G15	P11-R13 PolarHBondContact O-N 3.25Å; R13-G15 PolarHBondContact O-N 3.37Å
14	K	31.2	Very low	50	Low	217 Å²	217	116.5 Å²	116.5	94%	0.943	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	123	156	-70.7	-180	175.1	179.6	0	107.6	K12	K12-K14 PolarHBondContact O-N 3.31Å
15	G	32.5	Very low	52.1	Low	81 Å²	81	112.5 Å²	112.5	84%	0.835	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	155.2	-15.7	170.2	0	0	0	0	0	119	R13	R13-G15 PolarHBondContact O-N 3.37Å
16	A	38.9	Very low	53.9	Low	100 Å²	100	108.5 Å²	108.5	83%	0.826	61%	0.606	S	S	*	*			trans	-102.3	95.4	178.5	0	0	0	0	0	110.8	S18	A16-S18 PolarHBondContact O-N 3.37Å
17	G	46.2	Very low	55.2	Low	68 Å²	68	108 Å²	108	70%	0.701	59%	0.594	S	S	*	*			trans	-56.8	134.7	172.4	0	0	0	0	0	110.8
18	S	55.1	Low	56.9	Low	46 Å²	46	105 Å²	105	32%	0.322	59%	0.589	S	S	.	*			trans	-43.9	132.4	176.3	146.8	0	0	0	0	111.1	A16 F20 L66	A16-S18 PolarHBondContact O-N 3.37Å; S18-F20 PolarHBondContact O-N 3.32Å; S18-F20 WeakPolarHBondContact OG-CA 3.42Å; S18-F20 PolarHBondContact OG-N 2.8Å; S18-F20 PolarHBondContact OG-O 3.08Å; S18-L66 WeakPolarHBondContact OG-CD1 3.17Å
19	P	62.4	Low	59.4	Low	63 Å²	63	105.5 Å²	105.5	41%	0.409	57%	0.572	S	S	.	*	S	Bend	trans	-66.3	-6.6	174.7	28.2	-33.5	0	0	0	112	C45 K46	P19-C45 CarbonylContact O-C 3.51Å; P19-C45 WeakPolarHBondContact O-CA 3.34Å; P19-K46 PolarHBondContact O-N 3.49Å
20	F	69.2	Low	61.8	Low	12 Å²	12	109.7 Å²	109.7	5%	0.053	58%	0.58	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.9	131.6	173.9	-67.3	-87.6	0	0	0	111.4	S18 F43 A44 C45 F50 L66 L70	S18-F20 PolarHBondContact O-N 3.32Å; S18-F20 WeakPolarHBondContact OG-CA 3.42Å; S18-F20 PolarHBondContact OG-N 2.8Å; S18-F20 PolarHBondContact OG-O 3.08Å; F20-F43 HydrophobicContact CB-CB 4.33Å; F20-F43 HydrophobicContact CB-CD1 4.4Å; F20-F43 HydrophobicContact CD1-CB 4.25Å; F20-A44 CarbonylContact C-O 3.54Å; F20-A44 VanDerWaalsContact CA-O 3.26Å; F20-A44 WeakPolarHBondContact CA-O 3.3Å; F20-C45 HydrophobicContact CD1-CB 3.91Å; F20-C45 HydrophobicContact CE1-CB 3.56Å; F20-C45 HydrophobicContact CZ-CB 4.05Å; F20-F50 AromaticContact CE1-CD1 3.89Å; F20-F50 HydrophobicContact CE1-CD1 3.89Å; F20-F50 HydrophobicContact CZ-CD1 4.34Å; F20-L66 HydrophobicContact CB-CD1 4.29Å; F20-L66 HydrophobicContact CB-CD2 4.5Å; F20-L66 HydrophobicContact CD2-CB 4.47Å; F20-L66 HydrophobicContact CD2-CD1 4.22Å; F20-L66 HydrophobicContact CD2-CD2 3.83Å; F20-L66 HydrophobicContact CD2-CG 4.42Å; F20-L66 HydrophobicContact CE2-CD2 4.39Å; F20-L66 HydrophobicContact CG-CD2 4.24Å; F20-L70 HydrophobicContact CE2-CB 4.39Å; F20-L70 HydrophobicContact CZ-CB 3.71Å
21	S	77.9	Confident	64.4	Low	43 Å²	43	98.9 Å²	98.9	30%	0.301	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	144.4	165.3	54	0	0	0	0	110.1	T23 F43 A44	S21-T23 PolarHBondContact O-N 3.25Å; S21-T23 PolarHBondContact O-OG1 3.1Å; S21-F43 WeakPolarHBondContact O-CA 3.46Å; S21-A44 PolarHBondContact N-O 3.43Å; S21-A44 PolarHBondContact O-N 2.84Å
22	K	83.2	Confident	66.5	Low	145 Å²	145	94 Å²	94	63%	0.63	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	125.9	167.7	-170.1	179.3	179	-173.1	0	107.5	I41 G42 F43	K22-I41 HydrophobicContact CD-CG2 4.35Å; K22-I41 HydrophobicContact CG-CG2 3.96Å; K22-G42 WeakPolarHBondContact CA-O 3.15Å; K22-F43 HydrophobicContact CB-CE1 4.45Å
23	T	82.1	Confident	68.6	Low	44 Å²	44	90 Å²	90	27%	0.27	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138	-174	-49.4	0	0	0	0	109.9	S21 F25 G42 A44	S21-T23 PolarHBondContact O-N 3.25Å; S21-T23 PolarHBondContact O-OG1 3.1Å; T23-F25 HydrophobicContact CG2-CD1 4.38Å; T23-F25 HydrophobicContact CG2-CE1 4.01Å; T23-F25 HydrophobicContact CG2-CZ 4.22Å; T23-G42 PolarHBondContact N-O 2.65Å; T23-G42 PolarHBondContact O-N 3.5Å; T23-A44 WeakPolarHBondContact OG1-CB 3.4Å
24	F	87.3	Confident	70.8	Confident	143 Å²	143	80.4 Å²	80.4	63%	0.627	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	115.7	170.7	-172.5	-95.3	0	0	0	109.3	I41	F24-I41 HydrophobicContact CD2-CG1 3.85Å; F24-I41 HydrophobicContact CE2-CG1 4.46Å
25	F	83.8	Confident	73.2	Confident	18 Å²	18	76.9 Å²	76.9	8%	0.079	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	96.5	178.5	-58.5	-75	0	0	0	109.5	T23 V27 K29 V38 G40 A44 R51	T23-F25 HydrophobicContact CG2-CD1 4.38Å; T23-F25 HydrophobicContact CG2-CE1 4.01Å; T23-F25 HydrophobicContact CG2-CZ 4.22Å; F25-V27 VanDerWaalsContact C-N 3.27Å; F25-V27 PolarHBondContact O-N 2.68Å; F25-K29 HydrophobicContact CD1-CG 4.09Å; F25-V38 HydrophobicContact CD2-CB 4.4Å; F25-V38 HydrophobicContact CD2-CG1 3.39Å; F25-V38 HydrophobicContact CE2-CG1 3.8Å; F25-V38 HydrophobicContact CG-CG1 4.17Å; F25-G40 PolarHBondContact N-O 2.78Å; F25-G40 PolarHBondContact O-N 3.16Å; F25-A44 HydrophobicContact CE1-CB 4.42Å; F25-A44 HydrophobicContact CZ-CB 4.04Å; F25-R51 HydrophobicContact CE1-CB 4.13Å; F25-R51 HydrophobicContact CE1-CG 3.67Å; F25-R51 HydrophobicContact CZ-CB 3.81Å; F25-R51 HydrophobicContact CZ-CG 3.74Å
26	S	81.5	Confident	75.7	Confident	95 Å²	95	79.5 Å²	79.5	66%	0.664	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	-17.4	176.4	54.9	0	0	0	0	113.9
27	V	81.3	Confident	77.9	Confident	79 Å²	79	78.9 Å²	78.9	48%	0.479	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.9	179.6	-176.4	0	0	0	0	109	F25 K29	F25-V27 VanDerWaalsContact C-N 3.27Å; F25-V27 PolarHBondContact O-N 2.68Å; V27-K29 WeakPolarHBondContact O-CG 3.14Å; V27-K29 PolarHBondContact O-N 2.78Å; V27-K29 VanDerWaalsContact O-N 3.1Å
28	P	84.5	Confident	79.5	Confident	80 Å²	80	75.7 Å²	75.7	52%	0.519	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51	116.6	176.9	-26.5	33.3	0	0	0	112.5	V37 M39	P28-V37 HydrophobicContact CB-CG1 3.75Å; P28-M39 HydrophobicContact CB-CG 4.32Å; P28-M39 HydrophobicContact CB-SD 4.42Å; P28-M39 HydrophobicContact CG-CE 4.43Å; P28-M39 HydrophobicContact CG-CG 4.18Å; P28-M39 HydrophobicContact CG-SD 3.72Å
29	K	83.9	Confident	80.9	Confident	80 Å²	80	79 Å²	79	35%	0.348	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	157.1	171.2	-58.7	-56.3	177.3	-170.1	0	109.8	F25 V27 V37 V38	F25-K29 HydrophobicContact CD1-CG 4.09Å; V27-K29 WeakPolarHBondContact O-CG 3.14Å; V27-K29 PolarHBondContact O-N 2.78Å; V27-K29 VanDerWaalsContact O-N 3.1Å; K29-V37 CarbonylContact O-C 3.56Å; K29-V37 VanDerWaalsContact O-CA 3.28Å; K29-V37 WeakPolarHBondContact O-CA 3.24Å; K29-V38 PolarHBondContact N-O 2.76Å; K29-V38 VanDerWaalsContact N-O 3.08Å; K29-V38 PolarHBondContact O-N 2.57Å
30	R	84.6	Confident	81.9	Confident	201 Å²	201	77 Å²	77	76%	0.758	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	136.6	170.1	-73.5	-171.4	-167.2	-177.1	3.3	111.2
31	C	83.8	Confident	82.6	Confident	1 Å²	1	80.6 Å²	80.6	1%	0.007	41%	0.409	C	S	.	.			trans	-66.8	127.8	171.4	-175.6	0	0	0	0	109.7	Y33 C34 K35 K36 V38 R51 C52	C31-Y33 PolarHBondContact O-N 2.65Å; C31-C34 VanDerWaalsContact CB-SG 3.58Å; C31-K35 WeakPolarHBondContact O-CA 3.43Å; C31-K35 PolarHBondContact O-N 3.05Å; C31-K36 WeakPolarHBondContact CB-O 3.28Å; C31-K36 PolarHBondContact N-O 3.2Å; C31-V38 HydrophobicContact CB-CG2 3.49Å; C31-V38 VanDerWaalsContact CB-CG2 3.49Å; C31-R51 CarbonylContact C-O 3.53Å; C31-R51 WeakPolarHBondContact CA-O 3.26Å; C31-C52 VanDerWaalsContact SG-CA 3.5Å
32	G	77.6	Confident	83	Confident	18 Å²	18	78.6 Å²	78.6	19%	0.186	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.9	176.4	0	0	0	0	0	113.2	K35 F50 R51	G32-K35 PolarHBondContact O-NZ 3.36Å; G32-F50 VanDerWaalsContact C-CE2 3.42Å; G32-F50 VanDerWaalsContact C-CZ 3.43Å; G32-F50 VanDerWaalsContact CA-CE2 3.45Å; G32-R51 PolarHBondContact N-O 2.97Å
33	Y	77.4	Confident	82.9	Confident	111 Å²	111	73.7 Å²	73.7	44%	0.435	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-77.2	178.5	-169.4	-105.3	0	0	0	111.9	C31 K35 C56 L70	C31-Y33 PolarHBondContact O-N 2.65Å; Y33-K35 VanDerWaalsContact C-N 3.31Å; Y33-K35 PolarHBondContact O-N 2.89Å; Y33-C56 HydrophobicContact CD1-CB 3.87Å; Y33-C56 HydrophobicContact CG-CB 4.33Å; Y33-L70 HydrophobicContact CD2-CD2 3.65Å; Y33-L70 HydrophobicContact CE2-CD2 4.4Å; Y33-L70 HydrophobicContact CG-CD2 4.38Å
34	C	81.5	Confident	82.9	Confident	44 Å²	44	72.4 Å²	72.4	30%	0.297	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.6	-173.8	71.8	0	0	0	0	114.9	C31 K36 H53 C56	C31-C34 VanDerWaalsContact CB-SG 3.58Å; C34-K36 PolarHBondContact O-N 2.8Å; C34-H53 PolarHBondContact SG-CE1 3.36Å; C34-H53 PolarHBondContact SG-ND1 3.35Å; C34-C56 PolarHBondContact SG-SG 3.06Å
35	K	83	Confident	82.4	Confident	142 Å²	142	66.2 Å²	66.2	62%	0.617	34%	0.341	S	S	*	.			trans	59.4	-2.6	-176.9	-52.6	-57.3	-173.3	-169.1	0	116.6	C31 G32 Y33	C31-K35 WeakPolarHBondContact O-CA 3.43Å; C31-K35 PolarHBondContact O-N 3.05Å; G32-K35 PolarHBondContact O-NZ 3.36Å; Y33-K35 VanDerWaalsContact C-N 3.31Å; Y33-K35 PolarHBondContact O-N 2.89Å
36	K	83.8	Confident	81.9	Confident	137 Å²	137	72.1 Å²	72.1	60%	0.596	37%	0.367	S	S	*	.	S	Bend	trans	-74	160.1	173.5	-59.7	-178.2	-179.7	-178.1	0	112	C31 C34 V38	C31-K36 WeakPolarHBondContact CB-O 3.28Å; C31-K36 PolarHBondContact N-O 3.2Å; C34-K36 PolarHBondContact O-N 2.8Å; K36-V38 PolarHBondContact O-N 3.05Å
37	V	85.1	Confident	81.3	Confident	87 Å²	87	73.4 Å²	73.4	53%	0.527	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	125.9	179.1	177.2	0	0	0	0	111.1	P28 K29 M39 H53	P28-V37 HydrophobicContact CB-CG1 3.75Å; K29-V37 CarbonylContact O-C 3.56Å; K29-V37 VanDerWaalsContact O-CA 3.28Å; K29-V37 WeakPolarHBondContact O-CA 3.24Å; V37-M39 HydrophobicContact CG1-CG 4.02Å; V37-H53 PolarHBondContact O-CE1 2.83Å; V37-H53 PolarHBondContact O-NE2 2.8Å
38	V	80.7	Confident	80.7	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119	167.7	-171.3	0	0	0	0	108.1	F25 K29 C31 K36 H53	F25-V38 HydrophobicContact CD2-CB 4.4Å; F25-V38 HydrophobicContact CD2-CG1 3.39Å; F25-V38 HydrophobicContact CE2-CG1 3.8Å; F25-V38 HydrophobicContact CG-CG1 4.17Å; K29-V38 PolarHBondContact N-O 2.76Å; K29-V38 VanDerWaalsContact N-O 3.08Å; K29-V38 PolarHBondContact O-N 2.57Å; C31-V38 HydrophobicContact CB-CG2 3.49Å; C31-V38 VanDerWaalsContact CB-CG2 3.49Å; K36-V38 PolarHBondContact O-N 3.05Å; V38-H53 WeakPolarHBondContact CA-NE2 3.36Å
39	M	83.3	Confident	80.1	Confident	115 Å²	115	75.8 Å²	75.8	57%	0.567	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.4	168.2	-82	-107.7	-79	0	0	107.4	P28 V37	P28-M39 HydrophobicContact CB-CG 4.32Å; P28-M39 HydrophobicContact CB-SD 4.42Å; P28-M39 HydrophobicContact CG-CE 4.43Å; P28-M39 HydrophobicContact CG-CG 4.18Å; P28-M39 HydrophobicContact CG-SD 3.72Å; V37-M39 HydrophobicContact CG1-CG 4.02Å
40	G	85.4	Confident	79.9	Confident	21 Å²	21	72.9 Å²	72.9	22%	0.216	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.8	-144.4	-175.1	0	0	0	0	0	112.8	F25	F25-G40 PolarHBondContact N-O 2.78Å; F25-G40 PolarHBondContact O-N 3.16Å
41	I	83.6	Confident	79.9	Confident	89 Å²	89	67.1 Å²	67.1	46%	0.456	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.4	-171.6	-58.6	172	0	0	0	111.5	K22 F24	K22-I41 HydrophobicContact CD-CG2 4.35Å; K22-I41 HydrophobicContact CG-CG2 3.96Å; F24-I41 HydrophobicContact CD2-CG1 3.85Å; F24-I41 HydrophobicContact CE2-CG1 4.46Å
42	G	85	Confident	79.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	-158.6	168.7	0	0	0	0	0	112.2	K22 T23 C52	K22-G42 WeakPolarHBondContact CA-O 3.15Å; T23-G42 PolarHBondContact N-O 2.65Å; T23-G42 PolarHBondContact O-N 3.5Å; G42-C52 CarbonylContact C-O 3.47Å; G42-C52 VanDerWaalsContact CA-O 3.26Å; G42-C52 WeakPolarHBondContact CA-O 3.37Å
43	F	82.4	Confident	80.1	Confident	43 Å²	43	67.2 Å²	67.2	19%	0.189	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.4	177.5	-66	-86.5	0	0	0	110.4	F20 S21 K22 R51 C52 K54 V57	F20-F43 HydrophobicContact CB-CB 4.33Å; F20-F43 HydrophobicContact CB-CD1 4.4Å; F20-F43 HydrophobicContact CD1-CB 4.25Å; S21-F43 WeakPolarHBondContact O-CA 3.46Å; K22-F43 HydrophobicContact CB-CE1 4.45Å; F43-R51 CarbonylContact O-C 3.38Å; F43-R51 VanDerWaalsContact O-CA 3.27Å; F43-R51 WeakPolarHBondContact O-CA 3.41Å; F43-C52 PolarHBondContact N-O 3.15Å; F43-C52 PolarHBondContact O-N 3.06Å; F43-K54 HydrophobicContact CE2-CB 4.35Å; F43-K54 HydrophobicContact CE2-CG 4.06Å; F43-V57 HydrophobicContact CB-CG2 4.4Å; F43-V57 HydrophobicContact CD2-CB 4.06Å; F43-V57 HydrophobicContact CD2-CG1 4.46Å; F43-V57 HydrophobicContact CD2-CG2 3.4Å; F43-V57 VanDerWaalsContact CD2-CG2 3.4Å; F43-V57 HydrophobicContact CE2-CB 4Å; F43-V57 HydrophobicContact CE2-CG1 4.2Å; F43-V57 HydrophobicContact CE2-CG2 3.87Å; F43-V57 HydrophobicContact CG-CG2 4.12Å
44	A	81.6	Confident	80.3	Confident	17 Å²	17	67.4 Å²	67.4	14%	0.14	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.5	171.6	0	0	0	0	0	109.7	F20 S21 T23 F25 F50 R51	F20-A44 CarbonylContact C-O 3.54Å; F20-A44 VanDerWaalsContact CA-O 3.26Å; F20-A44 WeakPolarHBondContact CA-O 3.3Å; S21-A44 PolarHBondContact N-O 3.43Å; S21-A44 PolarHBondContact O-N 2.84Å; T23-A44 WeakPolarHBondContact OG1-CB 3.4Å; F25-A44 HydrophobicContact CE1-CB 4.42Å; F25-A44 HydrophobicContact CZ-CB 4.04Å; A44-F50 WeakPolarHBondContact CA-O 3.46Å; A44-R51 HydrophobicContact CB-CG 4.41Å
45	C	76	Confident	80	Confident	12 Å²	12	72.8 Å²	72.8	8%	0.081	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	136.8	170	-177	0	0	0	0	109.6	P19 F20 N47 C48 F50	P19-C45 CarbonylContact O-C 3.51Å; P19-C45 WeakPolarHBondContact O-CA 3.34Å; F20-C45 HydrophobicContact CD1-CB 3.91Å; F20-C45 HydrophobicContact CE1-CB 3.56Å; F20-C45 HydrophobicContact CZ-CB 4.05Å; C45-N47 VanDerWaalsContact C-N 3.25Å; C45-N47 PolarHBondContact O-N 3.37Å; C45-N47 PolarHBondContact SG-N 2.81Å; C45-N47 VanDerWaalsContact SG-N 3.39Å; C45-C48 WeakPolarHBondContact CB-O 3.44Å; C45-C48 WeakPolarHBondContact CB-SG 3.18Å; C45-C48 PolarHBondContact SG-N 3.23Å; C45-C48 VanDerWaalsContact SG-N 3.44Å; C45-F50 HydrophobicContact CB-CB 4.29Å; C45-F50 PolarHBondContact N-O 2.82Å
46	K	73.9	Confident	79.5	Confident	142 Å²	142	66.7 Å²	66.7	62%	0.617	31%	0.312	S	S	*	.	S	Bend	trans	-68.9	-25.2	175.6	-65.1	177.2	-179.8	175.9	0	112.2	P19	P19-K46 PolarHBondContact O-N 3.49Å
47	N	68.8	Low	78.7	Confident	122 Å²	122	62.2 Å²	62.2	65%	0.652	30%	0.297	S	S	*	.	S	Bend	trans	-108.1	-22.8	-173.3	-62.5	-6.9	0	0	0	113.5	C45 L73	C45-N47 VanDerWaalsContact C-N 3.25Å; C45-N47 PolarHBondContact O-N 3.37Å; C45-N47 PolarHBondContact SG-N 2.81Å; C45-N47 VanDerWaalsContact SG-N 3.39Å; N47-L73 HydrophobicContact CB-CD1 4Å
48	C	69.8	Low	77.4	Confident	21 Å²	21	65.1 Å²	65.1	14%	0.142	31%	0.306	C	S	.	.	S	Bend	trans	-133	156.4	177.8	75.7	0	0	0	0	111.1	C45 F50 C71	C45-C48 WeakPolarHBondContact CB-O 3.44Å; C45-C48 WeakPolarHBondContact CB-SG 3.18Å; C45-C48 PolarHBondContact SG-N 3.23Å; C45-C48 VanDerWaalsContact SG-N 3.44Å; C48-F50 PolarHBondContact O-N 3.08Å; C48-F50 WeakPolarHBondContact SG-CB 2.92Å; C48-C71 PolarHBondContact SG-SG 2.85Å
49	R	71.1	Confident	75.9	Confident	188 Å²	188	68.2 Å²	68.2	71%	0.709	33%	0.328	S	S	*	.			trans	-69.4	14.5	179.6	-71.3	-177.8	172.2	175.5	-1.5	113.9	R51	R49-R51 PolarHBondContact O-N 2.78Å
50	F	80.1	Confident	74.1	Confident	20 Å²	20	67.6 Å²	67.6	9%	0.088	33%	0.327	C	S	.	.			trans	-66.9	127	177.2	-163.6	-87.5	0	0	0	110.2	F20 G32 A44 C45 C48 C52 L70	F20-F50 AromaticContact CE1-CD1 3.89Å; F20-F50 HydrophobicContact CE1-CD1 3.89Å; F20-F50 HydrophobicContact CZ-CD1 4.34Å; G32-F50 VanDerWaalsContact C-CE2 3.42Å; G32-F50 VanDerWaalsContact C-CZ 3.43Å; G32-F50 VanDerWaalsContact CA-CE2 3.45Å; A44-F50 WeakPolarHBondContact CA-O 3.46Å; C45-F50 HydrophobicContact CB-CB 4.29Å; C45-F50 PolarHBondContact N-O 2.82Å; C48-F50 PolarHBondContact O-N 3.08Å; C48-F50 WeakPolarHBondContact SG-CB 2.92Å; F50-C52 HydrophobicContact CD1-CB 4.5Å; F50-C52 HydrophobicContact CE1-CB 3.83Å; F50-L70 HydrophobicContact CD1-CB 4.04Å; F50-L70 WeakPolarHBondContact CD2-O 3.44Å; F50-L70 HydrophobicContact CE1-CB 3.63Å; F50-L70 HydrophobicContact CE1-CD1 4.31Å; F50-L70 HydrophobicContact CE1-CD2 3.67Å; F50-L70 HydrophobicContact CE1-CG 4.05Å; F50-L70 HydrophobicContact CE2-CB 4.46Å; F50-L70 HydrophobicContact CE2-CD2 4.41Å; F50-L70 WeakPolarHBondContact CE2-O 3.09Å; F50-L70 WeakPolarHBondContact CG-O 3.43Å; F50-L70 HydrophobicContact CZ-CB 3.87Å; F50-L70 HydrophobicContact CZ-CD2 3.41Å; F50-L70 VanDerWaalsContact CZ-CD2 3.41Å; F50-L70 HydrophobicContact CZ-CG 4.17Å
51	R	84.4	Confident	72.1	Confident	80 Å²	80	75.4 Å²	75.4	30%	0.302	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.5	-179.3	-65	177.8	-88	-107.3	3.9	107.9	F25 C31 G32 F43 A44 R49	F25-R51 HydrophobicContact CE1-CB 4.13Å; F25-R51 HydrophobicContact CE1-CG 3.67Å; F25-R51 HydrophobicContact CZ-CB 3.81Å; F25-R51 HydrophobicContact CZ-CG 3.74Å; C31-R51 CarbonylContact C-O 3.53Å; C31-R51 WeakPolarHBondContact CA-O 3.26Å; G32-R51 PolarHBondContact N-O 2.97Å; F43-R51 CarbonylContact O-C 3.38Å; F43-R51 VanDerWaalsContact O-CA 3.27Å; F43-R51 WeakPolarHBondContact O-CA 3.41Å; A44-R51 HydrophobicContact CB-CG 4.41Å; R49-R51 PolarHBondContact O-N 2.78Å
52	C	83.1	Confident	70.1	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.2	176.8	60.4	0	0	0	0	112.5	C31 G42 F43 F50 C56 V57	C31-C52 VanDerWaalsContact SG-CA 3.5Å; G42-C52 CarbonylContact C-O 3.47Å; G42-C52 VanDerWaalsContact CA-O 3.26Å; G42-C52 WeakPolarHBondContact CA-O 3.37Å; F43-C52 PolarHBondContact N-O 3.15Å; F43-C52 PolarHBondContact O-N 3.06Å; F50-C52 HydrophobicContact CD1-CB 4.5Å; F50-C52 HydrophobicContact CE1-CB 3.83Å; C52-C56 HydrophobicContact CB-CB 4.25Å; C52-V57 WeakPolarHBondContact SG-CG2 3.5Å
53	H	82.3	Confident	68.1	Low	20 Å²	20	85.2 Å²	85.2	9%	0.093	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	151.8	173	-57.7	97.9	0	0	0	110.6	C34 V37 V38 R55 C56 V57	C34-H53 PolarHBondContact SG-CE1 3.36Å; C34-H53 PolarHBondContact SG-ND1 3.35Å; V37-H53 PolarHBondContact O-CE1 2.83Å; V37-H53 PolarHBondContact O-NE2 2.8Å; V38-H53 WeakPolarHBondContact CA-NE2 3.36Å; H53-R55 HydrophobicContact CB-CG 3.7Å; H53-R55 PolarHBondContact O-N 3.14Å; H53-C56 HydrophobicContact CB-CB 4.16Å; H53-C56 PolarHBondContact ND1-SG 2.85Å; H53-C56 VanDerWaalsContact ND1-SG 3.41Å; H53-C56 PolarHBondContact O-N 3.33Å; H53-V57 PolarHBondContact O-N 3.15Å
54	K	80.9	Confident	66	Low	116 Å²	116	87.6 Å²	87.6	50%	0.504	45%	0.447	S	S	.	.	H	α-helix	trans	-51.1	-43.4	168.4	-170.8	-174.6	177.8	-166.9	0	111.8	F43 C56 V57	F43-K54 HydrophobicContact CE2-CB 4.35Å; F43-K54 HydrophobicContact CE2-CG 4.06Å; K54-C56 PolarHBondContact O-N 2.87Å; K54-V57 PolarHBondContact O-N 3.41Å
55	R	76.5	Confident	64.1	Low	157 Å²	157	90.9 Å²	90.9	59%	0.592	47%	0.469	S	S	*	.	H	α-helix	trans	-66.1	-31.3	177	66.1	175.6	178.9	-176.5	-4	114.6	H53 V57 M58 S59	H53-R55 HydrophobicContact CB-CG 3.7Å; H53-R55 PolarHBondContact O-N 3.14Å; R55-V57 PolarHBondContact O-N 3.02Å; R55-M58 PolarHBondContact O-N 2.71Å; R55-S59 PolarHBondContact O-N 3.47Å
56	C	72.8	Confident	62.7	Low	13 Å²	13	93.3 Å²	93.3	9%	0.088	48%	0.48	C	S	.	.	H	α-helix	trans	-74.6	-10.1	178.8	-69	0	0	0	0	112.6	Y33 C34 C52 H53 K54	Y33-C56 HydrophobicContact CD1-CB 3.87Å; Y33-C56 HydrophobicContact CG-CB 4.33Å; C34-C56 PolarHBondContact SG-SG 3.06Å; C52-C56 HydrophobicContact CB-CB 4.25Å; H53-C56 HydrophobicContact CB-CB 4.16Å; H53-C56 PolarHBondContact ND1-SG 2.85Å; H53-C56 VanDerWaalsContact ND1-SG 3.41Å; H53-C56 PolarHBondContact O-N 3.33Å; K54-C56 PolarHBondContact O-N 2.87Å
57	V	65.1	Low	61.4	Low	44 Å²	44	91.4 Å²	91.4	27%	0.267	47%	0.472	S	S	.	.	H	α-helix	trans	-89.3	-24.5	171.5	176.4	0	0	0	0	111.5	F43 C52 H53 K54 R55 L66	F43-V57 HydrophobicContact CB-CG2 4.4Å; F43-V57 HydrophobicContact CD2-CB 4.06Å; F43-V57 HydrophobicContact CD2-CG1 4.46Å; F43-V57 HydrophobicContact CD2-CG2 3.4Å; F43-V57 VanDerWaalsContact CD2-CG2 3.4Å; F43-V57 HydrophobicContact CE2-CB 4Å; F43-V57 HydrophobicContact CE2-CG1 4.2Å; F43-V57 HydrophobicContact CE2-CG2 3.87Å; F43-V57 HydrophobicContact CG-CG2 4.12Å; C52-V57 WeakPolarHBondContact SG-CG2 3.5Å; H53-V57 PolarHBondContact O-N 3.15Å; K54-V57 PolarHBondContact O-N 3.41Å; R55-V57 PolarHBondContact O-N 3.02Å; V57-L66 HydrophobicContact CG1-CD2 3.76Å
58	M	59	Low	60.3	Low	147 Å²	147	90.1 Å²	90.1	72%	0.724	47%	0.471	S	S	*	.	S	Bend	trans	-101.1	8.4	-174.3	-61.8	-153.2	71.3	0	0	114	R55	R55-M58 PolarHBondContact O-N 2.71Å
59	S	50	Low	59.3	Low	65 Å²	65	96.6 Å²	96.6	46%	0.455	50%	0.496	S	S	.	.			trans	-94.7	12.4	-170.2	59.8	0	0	0	0	115.8	R55	R55-S59 PolarHBondContact O-N 3.47Å
60	D	45.5	Very low	58.6	Low	103 Å²	103	88.7 Å²	88.7	55%	0.551	47%	0.468	S	S	*	.	S	Bend	trans	-124.6	114.7	163.8	-72.5	-16.5	0	0	0	107
61	E	43.4	Very low	57.4	Low	185 Å²	185	88.5 Å²	88.5	86%	0.864	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	147.1	175.5	-63.3	177.4	152.1	0	0	110.7
62	D	40.9	Very low	56	Low	154 Å²	154	87.5 Å²	87.5	82%	0.824	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	21	161	-72.1	-12.3	0	0	0	124
63	D	42.9	Very low	54.3	Low	141 Å²	141	93.4 Å²	93.4	75%	0.754	51%	0.505	S	S	*	.			trans	-154.4	118.3	155.2	-103.2	-35.2	0	0	0	113.5	C65	D63-C65 PolarHBondContact O-N 3.11Å
64	G	39	Very low	52.6	Low	92 Å²	92	94.9 Å²	94.9	95%	0.948	52%	0.517	S	S	*	.			trans	-64.4	22.7	177.7	0	0	0	0	0	115.8
65	C	40.5	Very low	50.6	Low	87 Å²	87	96.5 Å²	96.5	59%	0.588	52%	0.521	S	S	*	.	S	Bend	trans	-111.8	120.6	172.4	-89.1	0	0	0	0	110.4	D63 K67	D63-C65 PolarHBondContact O-N 3.11Å; C65-K67 PolarHBondContact O-N 3.21Å
66	L	46.6	Very low	48.6	Very low	62 Å²	62	94.5 Å²	94.5	33%	0.325	53%	0.526	S	S	.	.			trans	-50.3	104.7	165.3	-81.9	149.5	0	0	0	109.2	S18 F20 V57	S18-L66 WeakPolarHBondContact OG-CD1 3.17Å; F20-L66 HydrophobicContact CB-CD1 4.29Å; F20-L66 HydrophobicContact CB-CD2 4.5Å; F20-L66 HydrophobicContact CD2-CB 4.47Å; F20-L66 HydrophobicContact CD2-CD1 4.22Å; F20-L66 HydrophobicContact CD2-CD2 3.83Å; F20-L66 HydrophobicContact CD2-CG 4.42Å; F20-L66 HydrophobicContact CE2-CD2 4.39Å; F20-L66 HydrophobicContact CG-CD2 4.24Å; V57-L66 HydrophobicContact CG1-CD2 3.76Å
67	K	46.6	Very low	46.9	Very low	103 Å²	103	97.9 Å²	97.9	45%	0.448	55%	0.547	S	S	.	.			trans	-57.8	131.6	179.7	-84.8	177.2	-175.6	159.5	0	108.7	C65 K69	C65-K67 PolarHBondContact O-N 3.21Å; K67-K69 HydrophobicContact CB-CB 4.27Å; K67-K69 HydrophobicContact CB-CG 4.28Å; K67-K69 HydrophobicContact CD-CD 4.34Å; K67-K69 PolarHBondContact O-N 3.24Å
68	P	45.2	Very low	45.6	Very low	95 Å²	95	101.8 Å²	101.8	62%	0.617	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-50.7	-22.3	173.4	-26.5	32.9	0	0	0	113.3	L70 C71 S74	P68-L70 PolarHBondContact O-N 2.95Å; P68-C71 PolarHBondContact O-N 3.2Å; P68-C71 VanDerWaalsContact O-N 3.1Å; P68-S74 VanDerWaalsContact C-OG 3.27Å; P68-S74 WeakPolarHBondContact O-CB 3.48Å; P68-S74 PolarHBondContact O-OG 2.89Å
69	K	49.7	Very low	44.6	Very low	156 Å²	156	97.7 Å²	97.7	68%	0.678	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-52.5	-16.8	-176.7	-65	-169.9	177.3	-172	0	116.5	K67	K67-K69 HydrophobicContact CB-CB 4.27Å; K67-K69 HydrophobicContact CB-CG 4.28Å; K67-K69 HydrophobicContact CD-CD 4.34Å; K67-K69 PolarHBondContact O-N 3.24Å
70	L	55.4	Low	44.4	Very low	23 Å²	23	99 Å²	99	12%	0.12	57%	0.574	C	S	.	*	G	3₁₀ helix	trans	-88	-18	-179.1	-64.4	171.1	0	0	0	113.2	F20 Y33 F50 P68	F20-L70 HydrophobicContact CE2-CB 4.39Å; F20-L70 HydrophobicContact CZ-CB 3.71Å; Y33-L70 HydrophobicContact CD2-CD2 3.65Å; Y33-L70 HydrophobicContact CE2-CD2 4.4Å; Y33-L70 HydrophobicContact CG-CD2 4.38Å; F50-L70 HydrophobicContact CD1-CB 4.04Å; F50-L70 WeakPolarHBondContact CD2-O 3.44Å; F50-L70 HydrophobicContact CE1-CB 3.63Å; F50-L70 HydrophobicContact CE1-CD1 4.31Å; F50-L70 HydrophobicContact CE1-CD2 3.67Å; F50-L70 HydrophobicContact CE1-CG 4.05Å; F50-L70 HydrophobicContact CE2-CB 4.46Å; F50-L70 HydrophobicContact CE2-CD2 4.41Å; F50-L70 WeakPolarHBondContact CE2-O 3.09Å; F50-L70 WeakPolarHBondContact CG-O 3.43Å; F50-L70 HydrophobicContact CZ-CB 3.87Å; F50-L70 HydrophobicContact CZ-CD2 3.41Å; F50-L70 VanDerWaalsContact CZ-CD2 3.41Å; F50-L70 HydrophobicContact CZ-CG 4.17Å; P68-L70 PolarHBondContact O-N 2.95Å
71	C	56.7	Low	44.1	Very low	15 Å²	15	101.6 Å²	101.6	10%	0.101	58%	0.583	C	S	.	*	S	Bend	trans	-94.2	133.9	-179.3	-169.9	0	0	0	0	110.9	C48 P68 L73 S74	C48-C71 PolarHBondContact SG-SG 2.85Å; P68-C71 PolarHBondContact O-N 3.2Å; P68-C71 VanDerWaalsContact O-N 3.1Å; C71-L73 PolarHBondContact O-N 3.01Å; C71-L73 VanDerWaalsContact O-N 3.07Å; C71-S74 PolarHBondContact O-N 2.86Å; C71-S74 PolarHBondContact O-OG 3.44Å
72	S	54.1	Low	44	Very low	60 Å²	60	99 Å²	99	42%	0.42	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-56.6	-24.6	174.3	-36	0	0	0	0	113.2	S74 R75	S72-S74 PolarHBondContact O-N 2.98Å; S72-R75 PolarHBondContact O-N 3.39Å
73	L	47.5	Very low	43.8	Very low	124 Å²	124	96.3 Å²	96.3	65%	0.649	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-72.1	-1.8	177.6	-63.9	169.5	0	0	0	114.3	N47 C71	N47-L73 HydrophobicContact CB-CD1 4Å; C71-L73 PolarHBondContact O-N 3.01Å; C71-L73 VanDerWaalsContact O-N 3.07Å
74	S	46.1	Very low	43.6	Very low	50 Å²	50	93.6 Å²	93.6	35%	0.35	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-112.2	9.4	175.4	65.9	0	0	0	0	113.6	P68 C71 S72	P68-S74 VanDerWaalsContact C-OG 3.27Å; P68-S74 WeakPolarHBondContact O-CB 3.48Å; P68-S74 PolarHBondContact O-OG 2.89Å; C71-S74 PolarHBondContact O-N 2.86Å; C71-S74 PolarHBondContact O-OG 3.44Å; S72-S74 PolarHBondContact O-N 2.98Å
75	R	38.7	Very low	43.8	Very low	151 Å²	151	91.1 Å²	91.1	57%	0.57	51%	0.51	S	S	*	.			trans	-100.2	18.4	-171.5	-73.1	-170	-172.3	-163.3	-1.8	116.3	S72 P77	S72-R75 PolarHBondContact O-N 3.39Å; R75-P77 VanDerWaalsContact O-CD 3.26Å; R75-P77 WeakPolarHBondContact O-CD 3.13Å
76	V	35.7	Very low	43.9	Very low	115 Å²	115	94.3 Å²	94.3	70%	0.697	51%	0.51	S	S	*	.			trans	-68.3	119.1	168.9	-175.4	0	0	0	0	108.1	S78	V76-S78 PolarHBondContact O-N 2.98Å
77	P	36	Very low	43.3	Very low	83 Å²	83	95.5 Å²	95.5	54%	0.539	52%	0.516	S	S	.	.			trans	-63.9	128.1	172.6	-12.7	27.8	0	0	0	108.4	R75 G79	R75-P77 VanDerWaalsContact O-CD 3.26Å; R75-P77 WeakPolarHBondContact O-CD 3.13Å; P77-G79 PolarHBondContact O-N 3.35Å
78	S	39.1	Very low	43.1	Very low	127 Å²	127	93.9 Å²	93.9	89%	0.888	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	38.3	-175.6	55.2	0	0	0	0	114.5	V76	V76-S78 PolarHBondContact O-N 2.98Å
79	G	37.6	Very low	43.1	Very low	60 Å²	60	96.1 Å²	96.1	62%	0.619	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147	-8.7	-177.7	0	0	0	0	0	115.8	P77	P77-G79 PolarHBondContact O-N 3.35Å
80	D	44.9	Very low	42.4	Very low	94 Å²	94	93.2 Å²	93.2	50%	0.503	50%	0.5	S	S	.	.			trans	-94.6	2.8	-179	-71.3	-34.6	0	0	0	113.6	E82 M83 F84	D80-E82 PolarHBondContact O-N 2.77Å; D80-M83 PolarHBondContact O-N 2.78Å; D80-F84 PolarHBondContact O-N 3.03Å
81	E	40	Very low	41.3	Very low	157 Å²	157	93.5 Å²	93.5	73%	0.734	50%	0.503	S	S	*	.	H	α-helix	trans	-59.5	-33.6	178.1	-69	-167.9	168.2	0	0	112.4	G85	E81-G85 PolarHBondContact O-N 2.65Å
82	E	40.3	Very low	40.3	Very low	129 Å²	129	97.6 Å²	97.6	60%	0.603	52%	0.521	S	S	*	.	H	α-helix	trans	-70.8	-38.2	178.1	-162.4	-172	162.2	0	0	112	D80 G85 R86	D80-E82 PolarHBondContact O-N 2.77Å; E82-G85 PolarHBondContact O-N 2.74Å; E82-R86 VanDerWaalsContact O-CG 3.31Å; E82-R86 WeakPolarHBondContact O-CG 3.33Å; E82-R86 PolarHBondContact O-N 2.86Å; E82-R86 IonicContact OE1-CZ 3.76Å; E82-R86 IonicContact OE1-NE 2.67Å; E82-R86 PolarHBondContact OE1-NE 2.92Å; E82-R86 IonicContact OE1-NH2 3.73Å; E82-R86 PolarHBondContact OE1-NH2 2.83Å
83	M	37.9	Very low	39.5	Very low	99 Å²	99	100.5 Å²	100.5	49%	0.488	53%	0.531	S	S	.	.	H	α-helix	trans	-68.7	-42.7	178.2	-173.6	-170.4	-175.1	0	0	111	D80 G85 R86 L87	D80-M83 PolarHBondContact O-N 2.78Å; M83-G85 VanDerWaalsContact C-N 3.34Å; M83-R86 PolarHBondContact O-N 2.75Å; M83-L87 HydrophobicContact CE-CD1 4.49Å; M83-L87 PolarHBondContact O-N 3.21Å
84	F	37.6	Very low	38.9	Very low	83 Å²	83	100.8 Å²	100.8	36%	0.364	53%	0.533	S	S	.	.	H	α-helix	trans	-65.6	-40.4	175.8	-148	-89.9	0	0	0	110.8	D80 R86 L87 M88	D80-F84 PolarHBondContact O-N 3.03Å; F84-R86 PolarHBondContact O-N 3.46Å; F84-L87 PolarHBondContact O-N 2.89Å; F84-M88 HydrophobicContact CD1-CG 4.02Å; F84-M88 HydrophobicContact CE1-CG 4.13Å; F84-M88 HydrophobicContact CE1-SD 4.24Å; F84-M88 VanDerWaalsContact O-CG 3.32Å; F84-M88 WeakPolarHBondContact O-CG 3.49Å; F84-M88 PolarHBondContact O-N 2.78Å
85	G	43.7	Very low	38.3	Very low	40 Å²	40	101.2 Å²	101.2	41%	0.412	54%	0.536	S	S	.	.	H	α-helix	trans	-58.6	-43	171.9	0	0	0	0	0	112.9	E81 E82 M83 K89	E81-G85 PolarHBondContact O-N 2.65Å; E82-G85 PolarHBondContact O-N 2.74Å; M83-G85 VanDerWaalsContact C-N 3.34Å; G85-K89 WeakPolarHBondContact O-CB 3.31Å; G85-K89 PolarHBondContact O-N 2.84Å
86	R	42.2	Very low	38	Very low	155 Å²	155	99.9 Å²	99.9	59%	0.585	54%	0.54	S	S	*	.	H	α-helix	trans	-64.6	-43	176.3	-73.3	175.6	-171.8	-156.9	4.6	112.6	E82 M83 F84 K89 E90	E82-R86 VanDerWaalsContact O-CG 3.31Å; E82-R86 WeakPolarHBondContact O-CG 3.33Å; E82-R86 PolarHBondContact O-N 2.86Å; E82-R86 IonicContact OE1-CZ 3.76Å; E82-R86 IonicContact OE1-NE 2.67Å; E82-R86 PolarHBondContact OE1-NE 2.92Å; E82-R86 IonicContact OE1-NH2 3.73Å; E82-R86 PolarHBondContact OE1-NH2 2.83Å; M83-R86 PolarHBondContact O-N 2.75Å; F84-R86 PolarHBondContact O-N 3.46Å; R86-K89 PolarHBondContact O-N 2.81Å; R86-E90 WeakPolarHBondContact O-CB 3.18Å; R86-E90 WeakPolarHBondContact O-CG 3.4Å; R86-E90 PolarHBondContact O-N 3.32Å
87	L	35.3	Very low	37.7	Very low	86 Å²	86	100.2 Å²	100.2	45%	0.45	54%	0.538	S	S	.	.	H	α-helix	trans	-63.9	-41.8	177.9	-89.3	159.1	0	0	0	112.5	M83 F84 S91	M83-L87 HydrophobicContact CE-CD1 4.49Å; M83-L87 PolarHBondContact O-N 3.21Å; F84-L87 PolarHBondContact O-N 2.89Å; L87-S91 PolarHBondContact O-N 3.44Å
88	M	42.5	Very low	37.2	Very low	70 Å²	70	104.3 Å²	104.3	35%	0.345	55%	0.552	S	S	.	*	H	α-helix	trans	-69.3	-37.9	175.8	-63.4	-60.8	-70.4	0	0	111.5	F84 S91 E92	F84-M88 HydrophobicContact CD1-CG 4.02Å; F84-M88 HydrophobicContact CE1-CG 4.13Å; F84-M88 HydrophobicContact CE1-SD 4.24Å; F84-M88 VanDerWaalsContact O-CG 3.32Å; F84-M88 WeakPolarHBondContact O-CG 3.49Å; F84-M88 PolarHBondContact O-N 2.78Å; M88-S91 PolarHBondContact O-N 2.86Å; M88-S91 PolarHBondContact O-OG 2.8Å; M88-S91 VanDerWaalsContact O-OG 3.09Å; M88-E92 PolarHBondContact O-N 2.91Å; M88-E92 VanDerWaalsContact O-N 3.12Å
89	K	44	Very low	36.7	Very low	141 Å²	141	106 Å²	106	61%	0.613	55%	0.551	S	S	*	*	H	α-helix	trans	-69.6	-33.2	177.6	-153.5	171.6	-168.2	177.7	0	112.5	G85 R86 S91 E92 I93	G85-K89 WeakPolarHBondContact O-CB 3.31Å; G85-K89 PolarHBondContact O-N 2.84Å; R86-K89 PolarHBondContact O-N 2.81Å; K89-S91 VanDerWaalsContact C-N 3.32Å; K89-E92 PolarHBondContact O-N 2.94Å; K89-I93 WeakPolarHBondContact O-CD1 3.37Å; K89-I93 VanDerWaalsContact O-CG1 3.29Å; K89-I93 WeakPolarHBondContact O-CG1 3.26Å; K89-I93 PolarHBondContact O-N 2.89Å
90	E	36.1	Very low	36.1	Very low	96 Å²	96	109 Å²	109	45%	0.449	56%	0.557	S	S	.	*	H	α-helix	trans	-70.1	-26.7	171.6	-79	-179.6	172.2	0	0	112.7	R86	R86-E90 WeakPolarHBondContact O-CB 3.18Å; R86-E90 WeakPolarHBondContact O-CG 3.4Å; R86-E90 PolarHBondContact O-N 3.32Å
91	S	32.1	Very low	35.2	Very low	28 Å²	28	113.1 Å²	113.1	20%	0.196	57%	0.571	C	S	.	*	H	α-helix	trans	-75.4	-33.9	172.3	94	0	0	0	0	112.3	L87 M88 K89 I93 N94 S95	L87-S91 PolarHBondContact O-N 3.44Å; M88-S91 PolarHBondContact O-N 2.86Å; M88-S91 PolarHBondContact O-OG 2.8Å; M88-S91 VanDerWaalsContact O-OG 3.09Å; K89-S91 VanDerWaalsContact C-N 3.32Å; S91-I93 VanDerWaalsContact C-N 3.33Å; S91-N94 PolarHBondContact O-N 3.41Å; S91-S95 PolarHBondContact O-N 3.24Å
92	E	35.1	Very low	34.6	Very low	101 Å²	101	112.3 Å²	112.3	47%	0.472	57%	0.571	S	S	.	*	H	α-helix	trans	-65.5	-33.3	172.7	-73.4	175.8	173.5	0	0	112.6	M88 K89 N94 S95 N96	M88-E92 PolarHBondContact O-N 2.91Å; M88-E92 VanDerWaalsContact O-N 3.12Å; K89-E92 PolarHBondContact O-N 2.94Å; E92-N94 VanDerWaalsContact C-N 3.27Å; E92-N94 PolarHBondContact O-N 2.83Å; E92-S95 PolarHBondContact O-N 2.84Å; E92-S95 PolarHBondContact O-OG 2.89Å; E92-S95 VanDerWaalsContact O-OG 3.11Å; E92-N96 VanDerWaalsContact O-CG 3.3Å; E92-N96 PolarHBondContact O-ND2 2.78Å
93	I	37.3	Very low	33.9	Very low	122 Å²	122	113.8 Å²	113.8	63%	0.626	58%	0.577	S	S	*	*	H	α-helix	trans	-70.4	-26.3	177.8	-66.4	163.9	0	0	0	111.6	K89 S91	K89-I93 WeakPolarHBondContact O-CD1 3.37Å; K89-I93 VanDerWaalsContact O-CG1 3.29Å; K89-I93 WeakPolarHBondContact O-CG1 3.26Å; K89-I93 PolarHBondContact O-N 2.89Å; S91-I93 VanDerWaalsContact C-N 3.33Å
94	N	34.2	Very low	33.5	Very low	130 Å²	130	117.6 Å²	117.6	70%	0.695	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-4.3	177.7	-80.1	-36.2	0	0	0	114.3	S91 E92	S91-N94 PolarHBondContact O-N 3.41Å; E92-N94 VanDerWaalsContact C-N 3.27Å; E92-N94 PolarHBondContact O-N 2.83Å
95	S	34.6	Very low	33	Very low	58 Å²	58	117.3 Å²	117.3	41%	0.406	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.3	-7.2	176	62.1	0	0	0	0	114.5	S91 E92	S91-S95 PolarHBondContact O-N 3.24Å; E92-S95 PolarHBondContact O-N 2.84Å; E92-S95 PolarHBondContact O-OG 2.89Å; E92-S95 VanDerWaalsContact O-OG 3.11Å
96	N	31.8	Very low	32.1	Very low	123 Å²	123	123.4 Å²	123.4	66%	0.658	64%	0.643	S	S	*	*			trans	-105.1	21.6	-165.9	-71.4	-4.9	0	0	0	115.6	E92	E92-N96 VanDerWaalsContact O-CG 3.3Å; E92-N96 PolarHBondContact O-ND2 2.78Å
97	D	29.3	Very low	31.5	Very low	123 Å²	123	123.3 Å²	123.3	66%	0.658	65%	0.654	S	S	*	*	S	Bend	trans	-104.7	54.4	173	-112.2	-11.4	0	0	0	110.9
98	M	26.7	Very low	31.2	Very low	169 Å²	169	127.2 Å²	127.2	83%	0.833	68%	0.675	S	S	*	*	S	Bend	trans	-168.1	87.4	158.7	-79.7	-48	-133.8	0	0	108.8
99	D	27.9	Very low	30.6	Very low	162 Å²	162	132.3 Å²	132.3	87%	0.866	70%	0.702	S	S	*	*			trans	159	86.2	145	-80.4	-17.1	0	0	0	109.6
100	V	24.9	Very low	29.8	Very low	122 Å²	122	135.3 Å²	135.3	74%	0.739	72%	0.718	S	S	*	*			trans	-82	110	156.2	174.7	0	0	0	0	104.9
101	F	26.4	Very low	29.5	Very low	182 Å²	182	133.9 Å²	133.9	80%	0.798	73%	0.729	S	S	*	*			trans	157.8	130.1	141	-81.2	-63.4	0	0	0	112.1
102	L	27	Very low	29.5	Very low	139 Å²	139	139.8 Å²	139.8	73%	0.728	76%	0.759	S	S	*	*			trans	90.8	111.2	158.2	-91.1	82.3	0	0	0	122.1
103	E	26.1	Very low	29.5	Very low	160 Å²	160	143.6 Å²	143.6	75%	0.748	78%	0.777	S	S	*	*				54	100.7	126.3	-73.8	-178.6	146.5	0	0	119.5
104	N	28	Very low	29	Very low	179 Å²	179	144 Å²	144	96%	0.957	79%	0.789	S	S	*	*			trans	178.5	62.9	130.8	-86.6	-28.4	0	0	0	111.7
105	G	28.1	Very low	29	Very low	78 Å²	78	146.7 Å²	146.7	80%	0.804	79%	0.794	S	S	*	*			trans	-137.7	-3	175.1	0	0	0	0	0	115.4	N107	G105-N107 PolarHBondContact O-N 3.16Å
106	L	25.3	Very low	28.9	Very low	168 Å²	168	146.2 Å²	146.2	88%	0.88	79%	0.791	S	S	*	*			trans	-86.7	93.6	171.7	-78.1	162.5	0	0	0	108.2
107	N	28.2	Very low	29	Very low	153 Å²	153	145.9 Å²	145.9	82%	0.818	80%	0.796	S	S	*	*	S	Bend	trans	155.9	78	153.4	-80.6	-27	0	0	0	108.8	G105	G105-N107 PolarHBondContact O-N 3.16Å
108	L	30	Very low	29.3	Very low	168 Å²	168	147.3 Å²	147.3	88%	0.88	80%	0.798	S	S	*	*	S	Bend	trans	177.8	88.5	155	-97.5	148.7	0	0	0	107.3
109	L	29.1	Very low	29.7	Very low	176 Å²	176	144.7 Å²	144.7	92%	0.921	78%	0.784	S	S	*	*			trans	161	69.7	148.9	-82.8	165.8	0	0	0	107.5
110	Q	28.7	Very low	30.1	Very low	204 Å²	204	142.6 Å²	142.6	95%	0.953	77%	0.772	S	S	*	*			trans	-62.8	127.1	153.1	-73.5	174.8	-24	0	0	107.5
111	G	29.5	Very low	30.4	Very low	66 Å²	66	139.8 Å²	139.8	68%	0.68	76%	0.762	S	S	*	*			trans	154.7	77.9	170.4	0	0	0	0	0	115.1
112	N	31.6	Very low	30.9	Very low	153 Å²	153	137.7 Å²	137.7	82%	0.818	76%	0.755	S	S	*	*			trans	72.5	110.3	148.7	-63.1	-16	0	0	0	120.7
113	Q	35.3	Very low	31.2	Very low	181 Å²	181	138.1 Å²	138.1	85%	0.846	75%	0.753	S	S	*	*			trans	74	88.8	135.5	-60.5	-165.8	4.5	0	0	119.7
114	C	26.6	Very low	31.4	Very low	131 Å²	131	133.6 Å²	133.6	89%	0.885	74%	0.743	S	S	*	*				35	104.9	125.2	-66.7	0	0	0	0	119.8
115	K	34.2	Very low	31.5	Very low	185 Å²	185	128.4 Å²	128.4	80%	0.804	73%	0.725	S	S	*	*				-134.3	138.9	124.4	-67.7	-170.1	179	-177.6	0	107.4
116	S	33.2	Very low	31.8	Very low	49 Å²	49	128.5 Å²	128.5	34%	0.343	71%	0.713	S	S	.	*			trans	-66.7	145.2	-168.8	68.6	0	0	0	0	111.7	E118 E119	S116-E118 PolarHBondContact O-N 3.44Å; S116-E119 PolarHBondContact O-N 3.16Å; S116-E119 PolarHBondContact OG-N 3.02Å
117	P	32.7	Very low	32.1	Very low	116 Å²	116	124.4 Å²	124.4	75%	0.753	70%	0.704	S	S	*	*	H	α-helix	trans	-60.7	-25.3	175.4	-22	32.6	0	0	0	113.6	A121	P117-A121 WeakPolarHBondContact O-CB 3.38Å; P117-A121 PolarHBondContact O-N 2.77Å; P117-A121 VanDerWaalsContact O-N 3.16Å
118	E	35.6	Very low	32.2	Very low	152 Å²	152	128.4 Å²	128.4	71%	0.71	71%	0.707	S	S	*	*	H	α-helix	trans	-73.3	-34.5	178.9	-83.8	174.8	140.1	0	0	113.4	S116 A121 Q122	S116-E118 PolarHBondContact O-N 3.44Å; E118-A121 PolarHBondContact O-N 2.84Å; E118-Q122 WeakPolarHBondContact O-CG 3.5Å; E118-Q122 PolarHBondContact O-N 3.35Å
119	E	36.2	Very low	32.1	Very low	115 Å²	115	124.6 Å²	124.6	54%	0.537	70%	0.695	S	S	.	*	H	α-helix	trans	-72.2	-32.8	176	-77.9	-178.2	150.2	0	0	112.2	S116 Q122 Q123	S116-E119 PolarHBondContact O-N 3.16Å; S116-E119 PolarHBondContact OG-N 3.02Å; E119-Q122 PolarHBondContact O-N 2.91Å; E119-Q123 WeakPolarHBondContact O-CG 3.35Å; E119-Q123 PolarHBondContact O-N 3.33Å
120	L	36.4	Very low	32	Very low	117 Å²	117	124.2 Å²	124.2	61%	0.613	69%	0.693	S	S	*	*	H	α-helix	trans	-70.2	-34.6	173.3	-110.9	144.1	0	0	0	111.9	A124	L120-A124 WeakPolarHBondContact O-CB 3.37Å; L120-A124 PolarHBondContact O-N 2.89Å; L120-A124 VanDerWaalsContact O-N 3.15Å
121	A	30.8	Very low	32	Very low	63 Å²	63	119.9 Å²	119.9	52%	0.521	68%	0.683	S	S	.	*	H	α-helix	trans	-71.5	-36.1	173.9	0	0	0	0	0	112.6	P117 E118 A125	P117-A121 WeakPolarHBondContact O-CB 3.38Å; P117-A121 PolarHBondContact O-N 2.77Å; P117-A121 VanDerWaalsContact O-N 3.16Å; E118-A121 PolarHBondContact O-N 2.84Å; A121-A125 WeakPolarHBondContact O-CB 3.38Å; A121-A125 PolarHBondContact O-N 2.89Å
122	Q	35.7	Very low	32	Very low	139 Å²	139	124.9 Å²	124.9	65%	0.65	69%	0.692	S	S	*	*	H	α-helix	trans	-73.2	-34.9	175.6	-79.4	173.8	-16.9	0	0	112.9	E118 E119 A125 S126	E118-Q122 WeakPolarHBondContact O-CG 3.5Å; E118-Q122 PolarHBondContact O-N 3.35Å; E119-Q122 PolarHBondContact O-N 2.91Å; Q122-A125 PolarHBondContact O-N 3.28Å; Q122-S126 PolarHBondContact O-N 3.21Å
123	Q	34.2	Very low	31.9	Very low	147 Å²	147	127.4 Å²	127.4	69%	0.687	70%	0.696	S	S	*	*	H	α-helix	trans	-68.5	-37	172.9	-76.6	-176.6	-14.2	0	0	112.3	E119 A125 S126	E119-Q123 WeakPolarHBondContact O-CG 3.35Å; E119-Q123 PolarHBondContact O-N 3.33Å; Q123-A125 VanDerWaalsContact C-N 3.34Å; Q123-S126 PolarHBondContact O-N 3.39Å; Q123-S126 PolarHBondContact O-OG 3.49Å
124	A	29.7	Very low	31.5	Very low	65 Å²	65	122 Å²	122	54%	0.537	69%	0.688	S	S	.	*	H	α-helix	trans	-67.5	-31.9	172.6	0	0	0	0	0	113.1	L120	L120-A124 WeakPolarHBondContact O-CB 3.37Å; L120-A124 PolarHBondContact O-N 2.89Å; L120-A124 VanDerWaalsContact O-N 3.15Å
125	A	30.7	Very low	31.8	Very low	70 Å²	70	122 Å²	122	58%	0.579	69%	0.687	S	S	*	*	H	α-helix	trans	-73.2	-26.8	177.5	0	0	0	0	0	113.7	A121 Q122 Q123 A127	A121-A125 WeakPolarHBondContact O-CB 3.38Å; A121-A125 PolarHBondContact O-N 2.89Å; Q122-A125 PolarHBondContact O-N 3.28Å; Q123-A125 VanDerWaalsContact C-N 3.34Å; A125-A127 VanDerWaalsContact C-N 3.34Å; A125-A127 PolarHBondContact O-N 3.28Å
126	S	33.6	Very low	31.5	Very low	81 Å²	81	119.6 Å²	119.6	57%	0.566	69%	0.687	S	S	*	*	H	α-helix	trans	-73.1	-20.5	178.8	68.9	0	0	0	0	114.4	Q122 Q123 W128 S129	Q122-S126 PolarHBondContact O-N 3.21Å; Q123-S126 PolarHBondContact O-N 3.39Å; Q123-S126 PolarHBondContact O-OG 3.49Å; S126-W128 VanDerWaalsContact C-N 3.3Å; S126-W128 PolarHBondContact O-N 2.89Å; S126-S129 PolarHBondContact O-OG 3.46Å
127	A	32.4	Very low	31.3	Very low	82 Å²	82	125.6 Å²	125.6	68%	0.678	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-6.5	-179.2	0	0	0	0	0	114.6	A125	A125-A127 VanDerWaalsContact C-N 3.34Å; A125-A127 PolarHBondContact O-N 3.28Å
128	W	30.4	Very low	31	Very low	236 Å²	236	131.3 Å²	131.3	89%	0.894	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	17.9	-172.3	-79.9	67	0	0	0	114.6	S126	S126-W128 VanDerWaalsContact C-N 3.3Å; S126-W128 PolarHBondContact O-N 2.89Å
129	S	27.1	Very low	30.6	Very low	89 Å²	89	134.4 Å²	134.4	62%	0.622	73%	0.732	S	S	*	*			trans	-117.1	74.6	-174.8	54.6	0	0	0	0	113.5	S126	S126-S129 PolarHBondContact O-OG 3.46Å
130	L	28.4	Very low	30.1	Very low	167 Å²	167	132.1 Å²	132.1	87%	0.874	74%	0.74	S	S	*	*			trans	-139.2	126.7	154.3	-81.9	175.3	0	0	0	110.7
131	P	27.7	Very low	29.7	Very low	114 Å²	114	134 Å²	134	74%	0.74	75%	0.75	S	S	*	*			trans	-89.8	138.1	-165.9	34.7	-33	0	0	0	112.4
132	I	30.5	Very low	29.6	Very low	171 Å²	171	139.1 Å²	139.1	88%	0.877	77%	0.767	S	S	*	*			trans	-113	119	161.1	-60.4	179.4	0	0	0	108.3
133	K	28.2	Very low	29.2	Very low	206 Å²	206	136.6 Å²	136.6	90%	0.896	77%	0.765	S	S	*	*			trans	-70.3	135.1	-179.2	-67.6	173.4	174.9	176.6	0	111.3
134	G	28.2	Very low	28.9	Very low	66 Å²	66	136 Å²	136	68%	0.68	77%	0.773	S	S	*	*			trans	-163	140.4	165.5	0	0	0	0	0	110.2
135	P	32.2	Very low	28.9	Very low	133 Å²	133	141 Å²	141	86%	0.864	79%	0.786	S	S	*	*			trans	-78.3	150.1	-156	30.3	-34.2	0	0	0	115.2
136	V	27.6	Very low	28.7	Very low	133 Å²	133	148.7 Å²	148.7	81%	0.806	80%	0.8	S	S	*	*			trans	-68.9	127.1	178.9	175.7	0	0	0	0	111.7
137	L	28.2	Very low	28.3	Very low	175 Å²	175	152.3 Å²	152.3	92%	0.916	81%	0.812	S	S	*	*			trans	-107.3	129.9	160.9	-78.6	167.1	0	0	0	109.6
138	R	28.1	Very low	28	Very low	236 Å²	236	155.9 Å²	155.9	89%	0.891	82%	0.819	S	S	*	*			trans	-73.6	144.9	-174.3	-66.3	-179.1	-177.9	-178.1	0.7	111.7	G140	R138-G140 PolarHBondContact O-N 3.43Å
139	K	26.6	Very low	28	Very low	217 Å²	217	151.3 Å²	151.3	94%	0.943	81%	0.811	S	S	*	*	S	Bend	trans	-56.7	125.6	167.4	-87.4	175.8	171.7	173.8	0	110
140	G	26.5	Very low	28	Very low	68 Å²	68	151.5 Å²	151.5	70%	0.701	81%	0.812	S	S	*	*			trans	170.6	-23.5	169.9	0	0	0	0	0	119	R138	R138-G140 PolarHBondContact O-N 3.43Å
141	D	26.7	Very low	27.9	Very low	155 Å²	155	152.7 Å²	152.7	83%	0.829	81%	0.813	S	S	*	*			trans	-143.1	154.8	-173.9	-73.4	-52.9	0	0	0	112.5
142	I	29.4	Very low	27.8	Very low	171 Å²	171	155.4 Å²	155.4	88%	0.877	82%	0.816	S	S	*	*			trans	115.3	115.1	155.3	-52.7	156.9	0	0	0	114.9
143	S	26.7	Very low	27.7	Very low	87 Å²	87	156.6 Å²	156.6	61%	0.608	82%	0.82	S	S	*	*			trans	-66.1	161.8	176.7	63.1	0	0	0	0	113.7	Q145	S143-Q145 PolarHBondContact O-N 2.56Å; S143-Q145 VanDerWaalsContact O-N 3.09Å
144	P	28.2	Very low	28	Very low	133 Å²	133	153 Å²	153	86%	0.864	82%	0.815	S	S	*	*	S	Bend	trans	-86	79.5	178	34.2	-31	0	0	0	110.7
145	Q	30	Very low	28.1	Very low	170 Å²	170	153.8 Å²	153.8	79%	0.794	82%	0.815	S	S	*	*			trans	-142.4	118.2	160.6	-75.3	-169.4	-11	0	0	111.8	S143	S143-Q145 PolarHBondContact O-N 2.56Å; S143-Q145 VanDerWaalsContact O-N 3.09Å
146	R	25.2	Very low	28	Very low	232 Å²	232	152.8 Å²	152.8	88%	0.875	81%	0.809	S	S	*	*			trans	61.9	105.6	162.3	-70.2	178	171.9	168.2	-2.2	118.1
147	L	26.8	Very low	28.3	Very low	158 Å²	158	154.5 Å²	154.5	83%	0.827	81%	0.808	S	S	*	*			trans	-116.9	92.1	149.5	-103.8	145.5	0	0	0	109	I149	L147-I149 HydrophobicContact CD2-CD1 4.18Å; L147-I149 HydrophobicContact CD2-CG1 3.8Å
148	L	25.5	Very low	28.5	Very low	156 Å²	156	154.3 Å²	154.3	82%	0.817	80%	0.8	S	S	*	*			trans	-61.9	123.8	146.7	-88	114.6	0	0	0	106.9
149	I	29.6	Very low	28.8	Very low	141 Å²	141	151.9 Å²	151.9	72%	0.723	80%	0.796	S	S	*	*			trans	-110.5	98.7	164.3	-64.2	-180	0	0	0	107.7	L147	L147-I149 HydrophobicContact CD2-CD1 4.18Å; L147-I149 HydrophobicContact CD2-CG1 3.8Å
150	S	26.9	Very low	29.1	Very low	92 Å²	92	148.1 Å²	148.1	64%	0.643	79%	0.786	S	S	*	*			trans	33.7	114.2	147.2	62.8	0	0	0	0	119.6	E152	S150-E152 PolarHBondContact O-N 2.8Å
151	Q	26.7	Very low	29.3	Very low	192 Å²	192	148.5 Å²	148.5	90%	0.897	77%	0.771	S	S	*	*			trans	-47.4	117.3	142.5	-67.3	172.3	-27.3	0	0	110.1
152	E	27	Very low	29.6	Very low	172 Å²	172	146.3 Å²	146.3	80%	0.804	77%	0.767	S	S	*	*			trans	-170.4	80.5	154	-109.4	175.3	-150.3	0	0	109.6	S150	S150-E152 PolarHBondContact O-N 2.8Å
153	M	28.4	Very low	29.7	Very low	196 Å²	196	142.5 Å²	142.5	97%	0.966	75%	0.752	S	S	*	*			trans	-145.9	97.2	140	-77.5	-157	83.5	0	0	106.4
154	T	33	Very low	29.9	Very low	130 Å²	130	146.6 Å²	146.6	80%	0.798	77%	0.767	S	S	*	*			trans	-73.3	143.4	178.6	36.9	0	0	0	0	111.5
155	A	30	Very low	30.1	Very low	82 Å²	82	149.7 Å²	149.7	68%	0.678	77%	0.767	S	S	*	*	S	Bend	trans	71.6	170.5	149.8	0	0	0	0	0	118.1	Q157	A155-Q157 PolarHBondContact O-N 3.1Å
156	P	30.8	Very low	30.3	Very low	112 Å²	112	144.9 Å²	144.9	73%	0.727	76%	0.756	S	S	*	*	S	Bend		-85.9	10.2	-94.6	-10.3	29.9	0	0	0	115.7	F158	P156-F158 PolarHBondContact O-N 2.9Å
157	Q	33.6	Very low	30.9	Very low	170 Å²	170	141.5 Å²	141.5	79%	0.794	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-77.7	-23	-169.4	-61.1	-172.4	5.1	0	0	113.8	A155	A155-Q157 PolarHBondContact O-N 3.1Å
158	F	33.3	Very low	32	Very low	171 Å²	171	136.7 Å²	136.7	75%	0.75	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-77.6	-19.4	179.5	-130.6	-93.3	0	0	0	113.9	P156 L161	P156-F158 PolarHBondContact O-N 2.9Å; F158-L161 HydrophobicContact CD2-CD1 4.45Å
159	K	33.3	Very low	32.7	Very low	185 Å²	185	135.3 Å²	135.3	80%	0.804	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-81.5	-15.8	-177.3	-131.1	174.1	-175.7	179.1	0	113.3
160	L	33.6	Very low	33.2	Very low	138 Å²	138	131.4 Å²	131.4	72%	0.723	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-25.8	173.2	-148.7	75.8	0	0	0	112.2	C162 T163	L160-C162 VanDerWaalsContact C-N 3.31Å; L160-C162 PolarHBondContact O-N 2.94Å; L160-T163 PolarHBondContact O-N 3.33Å; L160-T163 PolarHBondContact O-OG1 3.05Å
161	L	30	Very low	33.8	Very low	76 Å²	76	130.3 Å²	130.3	40%	0.398	70%	0.701	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74	-16.4	-178.2	-77	159.1	0	0	0	114.2	F158 T163 Q171	F158-L161 HydrophobicContact CD2-CD1 4.45Å; L161-T163 VanDerWaalsContact C-N 3.35Å; L161-Q171 HydrophobicContact CD2-CG 4.02Å; L161-Q171 VanDerWaalsContact CD2-NE2 3.3Å
162	C	33.6	Very low	34.3	Very low	108 Å²	108	129.8 Å²	129.8	73%	0.73	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	9.9	178.2	-64.1	0	0	0	0	113.5	L160	L160-C162 VanDerWaalsContact C-N 3.31Å; L160-C162 PolarHBondContact O-N 2.94Å
163	T	32.1	Very low	35	Very low	92 Å²	92	127.2 Å²	127.2	56%	0.564	68%	0.679	S	S	*	*	S	Bend	trans	-99.4	131	175.8	62.8	0	0	0	0	111.2	L160 L161 K165	L160-T163 PolarHBondContact O-N 3.33Å; L160-T163 PolarHBondContact O-OG1 3.05Å; L161-T163 VanDerWaalsContact C-N 3.35Å; T163-K165 PolarHBondContact O-N 3.19Å
164	N	31.2	Very low	35.4	Very low	173 Å²	173	122.5 Å²	122.5	93%	0.925	66%	0.657	S	S	*	*	S	Bend	trans	-77.1	36.5	-161	-132.2	-10.4	0	0	0	114.8
165	K	31.7	Very low	35.7	Very low	198 Å²	198	123 Å²	123	86%	0.861	65%	0.65	S	S	*	*			trans	-153.3	79.5	-177.6	-74.7	-172.5	177.7	177.8	0	112.4	T163	T163-K165 PolarHBondContact O-N 3.19Å
166	A	34.4	Very low	36.1	Very low	68 Å²	68	123 Å²	123	56%	0.562	65%	0.645	S	S	*	*			trans	-166.6	91.2	155.1	0	0	0	0	0	110.8	S168 Q171	A166-S168 PolarHBondContact O-N 3.07Å; A166-Q171 PolarHBondContact O-OE1 3.2Å
167	D	36.9	Very low	36.5	Very low	161 Å²	161	124.1 Å²	124.1	86%	0.861	64%	0.64	S	S	*	*			trans	-67.7	103.1	159	-103.1	-37.5	0	0	0	107.9
168	S	50.2	Low	36.7	Very low	57 Å²	57	119.9 Å²	119.9	40%	0.399	63%	0.626	S	S	.	*			trans	-143.9	137.7	165.7	80.4	0	0	0	0	112.9	A166 A170 Q171	A166-S168 PolarHBondContact O-N 3.07Å; S168-A170 PolarHBondContact O-N 3.44Å; S168-A170 VanDerWaalsContact O-N 3.09Å; S168-Q171 PolarHBondContact O-N 3.49Å
169	L	40.6	Very low	36.9	Very low	127 Å²	127	118.1 Å²	118.1	67%	0.665	62%	0.618	S	S	*	*	H	α-helix	trans	-48.8	-31.3	173.4	-165.6	112	0	0	0	112.4	Q171 R172 Q173	L169-Q171 PolarHBondContact O-N 3.01Å; L169-R172 PolarHBondContact O-N 3.28Å; L169-Q173 PolarHBondContact O-N 2.67Å
170	A	39.1	Very low	37.2	Very low	59 Å²	59	110.7 Å²	110.7	49%	0.488	59%	0.594	S	S	.	*	H	α-helix	trans	-62.5	-38.5	177.1	0	0	0	0	0	112.9	S168 R172 Q173 L174	S168-A170 PolarHBondContact O-N 3.44Å; S168-A170 VanDerWaalsContact O-N 3.09Å; A170-R172 VanDerWaalsContact C-N 3.31Å; A170-R172 PolarHBondContact O-N 3.28Å; A170-Q173 PolarHBondContact O-N 2.9Å; A170-L174 WeakPolarHBondContact O-CB 3.49Å; A170-L174 PolarHBondContact O-N 3.28Å
171	Q	40.4	Very low	37.5	Very low	69 Å²	69	111.2 Å²	111.2	32%	0.322	59%	0.593	S	S	.	*	H	α-helix	trans	-68.6	-33	178.8	-157	173.4	-3.6	0	0	111.3	L161 A166 S168 L169 H175	L161-Q171 HydrophobicContact CD2-CG 4.02Å; L161-Q171 VanDerWaalsContact CD2-NE2 3.3Å; A166-Q171 PolarHBondContact O-OE1 3.2Å; S168-Q171 PolarHBondContact O-N 3.49Å; L169-Q171 PolarHBondContact O-N 3.01Å; Q171-H175 WeakPolarHBondContact O-CB 3.38Å; Q171-H175 PolarHBondContact O-N 2.89Å; Q171-H175 VanDerWaalsContact O-N 3.1Å
172	R	37.7	Very low	37.8	Very low	182 Å²	182	113.4 Å²	113.4	69%	0.687	60%	0.601	S	S	*	*	H	α-helix	trans	-70.9	-42.3	173.2	-63.5	-175.3	-169.4	172.7	5.7	112	L169 A170 H175 S176	L169-R172 PolarHBondContact O-N 3.28Å; A170-R172 VanDerWaalsContact C-N 3.31Å; A170-R172 PolarHBondContact O-N 3.28Å; R172-H175 PolarHBondContact O-N 3.02Å; R172-S176 WeakPolarHBondContact O-CB 3.48Å; R172-S176 PolarHBondContact O-N 2.89Å
173	Q	41	Very low	38	Very low	118 Å²	118	111.4 Å²	111.4	55%	0.551	58%	0.583	S	S	*	*	H	α-helix	trans	-63.6	-42.5	176.8	-76.1	177.7	-32.6	0	0	111.9	L169 A170 S176 Q177	L169-Q173 PolarHBondContact O-N 2.67Å; A170-Q173 PolarHBondContact O-N 2.9Å; Q173-S176 WeakPolarHBondContact O-CB 2.98Å; Q173-S176 PolarHBondContact O-N 2.85Å; Q173-Q177 PolarHBondContact O-N 3.27Å
174	L	37.3	Very low	38.5	Very low	97 Å²	97	112.7 Å²	112.7	51%	0.508	59%	0.586	S	S	.	*	H	α-helix	trans	-67.5	-43.3	178.1	-160.8	77.9	0	0	0	111.7	A170 S176 Q177 V178	A170-L174 WeakPolarHBondContact O-CB 3.49Å; A170-L174 PolarHBondContact O-N 3.28Å; L174-S176 VanDerWaalsContact C-N 3.28Å; L174-S176 PolarHBondContact O-N 2.88Å; L174-Q177 PolarHBondContact O-N 3.44Å; L174-V178 WeakPolarHBondContact O-CG2 3.1Å; L174-V178 PolarHBondContact O-N 3.34Å
175	H	39.2	Very low	38.9	Very low	140 Å²	140	111.1 Å²	111.1	65%	0.648	57%	0.57	S	S	*	*	H	α-helix	trans	-59.4	-40.6	172.9	-111.5	-106.1	0	0	0	111.7	Q171 R172 F179	Q171-H175 WeakPolarHBondContact O-CB 3.38Å; Q171-H175 PolarHBondContact O-N 2.89Å; Q171-H175 VanDerWaalsContact O-N 3.1Å; R172-H175 PolarHBondContact O-N 3.02Å; H175-F179 WeakPolarHBondContact O-CB 3.34Å; H175-F179 PolarHBondContact O-N 3.44Å
176	S	38	Very low	39.2	Very low	82 Å²	82	106 Å²	106	57%	0.573	56%	0.556	S	S	*	*	H	α-helix	trans	-64.2	-42.7	176.6	177.2	0	0	0	0	112.3	R172 Q173 L174 G180	R172-S176 WeakPolarHBondContact O-CB 3.48Å; R172-S176 PolarHBondContact O-N 2.89Å; Q173-S176 WeakPolarHBondContact O-CB 2.98Å; Q173-S176 PolarHBondContact O-N 2.85Å; L174-S176 VanDerWaalsContact C-N 3.28Å; L174-S176 PolarHBondContact O-N 2.88Å; S176-G180 PolarHBondContact O-N 3.47Å
177	Q	38.9	Very low	39.5	Very low	135 Å²	135	108.6 Å²	108.6	63%	0.631	55%	0.554	S	S	*	*	H	α-helix	trans	-65.9	-47.4	177.2	-81.3	-176.9	-18.2	0	0	112.6	Q173 L174 F179 G180 Q181	Q173-Q177 PolarHBondContact O-N 3.27Å; L174-Q177 PolarHBondContact O-N 3.44Å; Q177-F179 VanDerWaalsContact C-N 3.33Å; Q177-F179 PolarHBondContact O-N 3.18Å; Q177-G180 PolarHBondContact O-N 3.3Å; Q177-Q181 PolarHBondContact O-N 3.27Å
178	V	38	Very low	40	Very low	81 Å²	81	103.4 Å²	103.4	49%	0.491	53%	0.531	S	S	.	.	H	α-helix	trans	-63.9	-41.9	179	175.6	0	0	0	0	110.5	L174 Q181 Q182	L174-V178 WeakPolarHBondContact O-CG2 3.1Å; L174-V178 PolarHBondContact O-N 3.34Å; V178-Q181 PolarHBondContact O-N 3.38Å; V178-Q182 VanDerWaalsContact O-CG 3.28Å; V178-Q182 WeakPolarHBondContact O-CG 2.73Å; V178-Q182 PolarHBondContact O-N 3.2Å; V178-Q182 VanDerWaalsContact O-N 3.12Å
179	F	38.4	Very low	39.6	Very low	135 Å²	135	105.7 Å²	105.7	59%	0.592	54%	0.538	S	S	*	.	H	α-helix	trans	-65.4	-40.8	176.5	-169.9	-105.5	0	0	0	112.2	H175 Q177 Q181 Q182 L183	H175-F179 WeakPolarHBondContact O-CB 3.34Å; H175-F179 PolarHBondContact O-N 3.44Å; Q177-F179 VanDerWaalsContact C-N 3.33Å; Q177-F179 PolarHBondContact O-N 3.18Å; F179-Q181 PolarHBondContact O-N 2.86Å; F179-Q182 PolarHBondContact O-N 3.13Å; F179-L183 HydrophobicContact CD1-CD1 3.64Å; F179-L183 HydrophobicContact CE1-CD1 3.29Å; F179-L183 HydrophobicContact CE1-CG 4.2Å; F179-L183 HydrophobicContact CZ-CD1 3.94Å; F179-L183 HydrophobicContact CZ-CG 4.44Å; F179-L183 PolarHBondContact O-N 2.9Å
180	G	38.7	Very low	39.6	Very low	29 Å²	29	106.8 Å²	106.8	30%	0.299	53%	0.533	S	S	.	.	H	α-helix	trans	-60.7	-42.8	175.5	0	0	0	0	0	113.1	S176 Q177 L183 L184	S176-G180 PolarHBondContact O-N 3.47Å; Q177-G180 PolarHBondContact O-N 3.3Å; G180-L183 PolarHBondContact O-N 3.01Å; G180-L184 WeakPolarHBondContact O-CG 3.31Å; G180-L184 PolarHBondContact O-N 2.92Å; G180-L184 VanDerWaalsContact O-N 3.1Å
181	Q	40.5	Very low	40.1	Very low	148 Å²	148	108.2 Å²	108.2	69%	0.692	53%	0.53	S	S	*	.	H	α-helix	trans	-67.6	-37.6	176.7	-73.8	-168.1	-5.6	0	0	112.9	Q177 V178 F179 L184 K185	Q177-Q181 PolarHBondContact O-N 3.27Å; V178-Q181 PolarHBondContact O-N 3.38Å; F179-Q181 PolarHBondContact O-N 2.86Å; Q181-L184 PolarHBondContact O-N 3.24Å; Q181-K185 PolarHBondContact O-N 2.9Å; Q181-K185 VanDerWaalsContact O-N 3.16Å
182	Q	36.9	Very low	40.5	Very low	122 Å²	122	110.4 Å²	110.4	57%	0.57	54%	0.54	S	S	*	.	H	α-helix	trans	-65.2	-42.1	176.2	-70.2	-77.2	-27.3	0	0	111.5	V178 F179 K185 V186	V178-Q182 VanDerWaalsContact O-CG 3.28Å; V178-Q182 WeakPolarHBondContact O-CG 2.73Å; V178-Q182 PolarHBondContact O-N 3.2Å; V178-Q182 VanDerWaalsContact O-N 3.12Å; F179-Q182 PolarHBondContact O-N 3.13Å; Q182-K185 PolarHBondContact O-N 2.86Å; Q182-V186 WeakPolarHBondContact O-CG2 3.46Å; Q182-V186 PolarHBondContact O-N 3.22Å
183	L	37.7	Very low	40.9	Very low	67 Å²	67	103.5 Å²	103.5	35%	0.351	53%	0.525	S	S	.	.	H	α-helix	trans	-62.3	-43.7	175.6	-90	165	0	0	0	112.7	F179 G180 K185 V186 K187	F179-L183 HydrophobicContact CD1-CD1 3.64Å; F179-L183 HydrophobicContact CE1-CD1 3.29Å; F179-L183 HydrophobicContact CE1-CG 4.2Å; F179-L183 HydrophobicContact CZ-CD1 3.94Å; F179-L183 HydrophobicContact CZ-CG 4.44Å; F179-L183 PolarHBondContact O-N 2.9Å; G180-L183 PolarHBondContact O-N 3.01Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 2.94Å; L183-V186 PolarHBondContact O-N 2.78Å; L183-K187 WeakPolarHBondContact O-CB 3.3Å; L183-K187 PolarHBondContact O-N 2.86Å
184	L	41.2	Very low	40.9	Very low	119 Å²	119	99.2 Å²	99.2	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-59.9	-38.2	176	-74.1	169.6	0	0	0	111.8	G180 Q181 K187 S188	G180-L184 WeakPolarHBondContact O-CG 3.31Å; G180-L184 PolarHBondContact O-N 2.92Å; G180-L184 VanDerWaalsContact O-N 3.1Å; Q181-L184 PolarHBondContact O-N 3.24Å; L184-K187 PolarHBondContact O-N 2.73Å; L184-S188 PolarHBondContact O-N 2.92Å
185	K	40.3	Very low	41.4	Very low	139 Å²	139	100.4 Å²	100.4	60%	0.604	52%	0.516	S	S	*	.	H	α-helix	trans	-67.7	-43.4	177.1	-162.8	164.3	-174.8	173.6	0	112	Q181 Q182 L183 S188 L189	Q181-K185 PolarHBondContact O-N 2.9Å; Q181-K185 VanDerWaalsContact O-N 3.16Å; Q182-K185 PolarHBondContact O-N 2.86Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 2.94Å; K185-S188 PolarHBondContact O-N 2.95Å; K185-S188 PolarHBondContact O-OG 3.15Å; K185-L189 WeakPolarHBondContact O-CG 3.48Å; K185-L189 PolarHBondContact O-N 3Å; K185-L189 VanDerWaalsContact O-N 3.15Å
186	V	38.3	Very low	41.8	Very low	92 Å²	92	100.2 Å²	100.2	56%	0.558	52%	0.516	S	S	*	.	H	α-helix	trans	-62.9	-42.1	175.1	174.4	0	0	0	0	111.3	Q182 L183 S188 L189 W190	Q182-V186 WeakPolarHBondContact O-CG2 3.46Å; Q182-V186 PolarHBondContact O-N 3.22Å; L183-V186 PolarHBondContact O-N 2.78Å; V186-S188 PolarHBondContact O-N 3.49Å; V186-L189 PolarHBondContact O-N 3.48Å; V186-W190 PolarHBondContact O-N 3.3Å
187	K	41	Very low	42	Very low	121 Å²	121	98.9 Å²	98.9	53%	0.526	51%	0.51	S	S	.	.	H	α-helix	trans	-58.3	-47.4	175.3	-177.8	177.5	171.4	179.5	0	111.5	L183 L184 L189 W190 E191	L183-K187 WeakPolarHBondContact O-CB 3.3Å; L183-K187 PolarHBondContact O-N 2.86Å; L184-K187 PolarHBondContact O-N 2.73Å; K187-L189 VanDerWaalsContact C-N 3.32Å; K187-L189 PolarHBondContact O-N 2.96Å; K187-W190 PolarHBondContact O-N 3.46Å; K187-E191 WeakPolarHBondContact CE-OE1 3.27Å; K187-E191 HydrophobicContact CG-CG 4.46Å; K187-E191 IonicContact NZ-OE1 3.72Å; K187-E191 WeakPolarHBondContact O-CG 3.5Å; K187-E191 PolarHBondContact O-N 2.9Å
188	S	46.1	Very low	42.2	Very low	53 Å²	53	98.7 Å²	98.7	37%	0.371	51%	0.507	S	S	.	.	H	α-helix	trans	-60.2	-40.1	178.7	70.7	0	0	0	0	112.9	L184 K185 V186 E191 E192	L184-S188 PolarHBondContact O-N 2.92Å; K185-S188 PolarHBondContact O-N 2.95Å; K185-S188 PolarHBondContact O-OG 3.15Å; V186-S188 PolarHBondContact O-N 3.49Å; S188-E191 PolarHBondContact O-N 3.33Å; S188-E192 PolarHBondContact O-N 3.39Å
189	L	43.3	Very low	42.5	Very low	105 Å²	105	97.7 Å²	97.7	55%	0.55	51%	0.507	S	S	.	.	H	α-helix	trans	-69.2	-35.2	178.2	-69.3	171	0	0	0	112.3	K185 V186 K187 G193	K185-L189 WeakPolarHBondContact O-CG 3.48Å; K185-L189 PolarHBondContact O-N 3Å; K185-L189 VanDerWaalsContact O-N 3.15Å; V186-L189 PolarHBondContact O-N 3.48Å; K187-L189 VanDerWaalsContact C-N 3.32Å; K187-L189 PolarHBondContact O-N 2.96Å; L189-G193 PolarHBondContact O-N 3.42Å
190	W	39.2	Very low	42.8	Very low	150 Å²	150	98.9 Å²	98.9	57%	0.568	51%	0.512	S	S	*	.	H	α-helix	trans	-69.8	-42.9	175.6	-174	89.3	0	0	0	111.6	V186 K187 E192 G193 A194	V186-W190 PolarHBondContact O-N 3.3Å; K187-W190 PolarHBondContact O-N 3.46Å; W190-E192 PolarHBondContact O-N 2.93Å; W190-G193 PolarHBondContact O-N 3.32Å; W190-A194 HydrophobicContact CZ3-CB 4.44Å; W190-A194 WeakPolarHBondContact O-CB 3.43Å; W190-A194 PolarHBondContact O-N 3.38Å
191	E	49.6	Very low	43	Very low	89 Å²	89	102.3 Å²	102.3	42%	0.416	53%	0.527	S	S	.	.	H	α-helix	trans	-61.7	-42.4	175.5	-72.8	174.1	166.3	0	0	111.6	K187 S188 G193 A194 L195	K187-E191 WeakPolarHBondContact CE-OE1 3.27Å; K187-E191 HydrophobicContact CG-CG 4.46Å; K187-E191 IonicContact NZ-OE1 3.72Å; K187-E191 WeakPolarHBondContact O-CG 3.5Å; K187-E191 PolarHBondContact O-N 2.9Å; S188-E191 PolarHBondContact O-N 3.33Å; E191-G193 PolarHBondContact O-N 3.42Å; E191-A194 PolarHBondContact O-N 3.32Å; E191-L195 WeakPolarHBondContact O-CB 3.35Å; E191-L195 WeakPolarHBondContact O-CG 3.36Å; E191-L195 PolarHBondContact O-N 3.12Å
192	E	50.1	Low	43	Very low	115 Å²	115	104.9 Å²	104.9	54%	0.537	53%	0.531	S	S	.	.	H	α-helix	trans	-60.3	-43.7	171.7	-81.9	-175.4	161.7	0	0	112.1	S188 W190 L195 Q196	S188-E192 PolarHBondContact O-N 3.39Å; W190-E192 PolarHBondContact O-N 2.93Å; E192-L195 PolarHBondContact O-N 2.78Å; E192-Q196 VanDerWaalsContact O-CG 3.31Å; E192-Q196 WeakPolarHBondContact O-CG 3.28Å; E192-Q196 PolarHBondContact O-N 3.2Å
193	G	45.2	Very low	43.3	Very low	36 Å²	36	102.7 Å²	102.7	37%	0.371	53%	0.529	S	S	.	.	H	α-helix	trans	-63.3	-42.2	177.1	0	0	0	0	0	113.3	L189 W190 E191 Q196 A197	L189-G193 PolarHBondContact O-N 3.42Å; W190-G193 PolarHBondContact O-N 3.32Å; E191-G193 PolarHBondContact O-N 3.42Å; G193-Q196 PolarHBondContact O-N 3.18Å; G193-A197 PolarHBondContact O-N 3.33Å
194	A	41.2	Very low	43.3	Very low	29 Å²	29	109.8 Å²	109.8	24%	0.24	55%	0.551	C	S	.	*	H	α-helix	trans	-66.9	-39.7	177.7	0	0	0	0	0	112	W190 E191 A197 K198	W190-A194 HydrophobicContact CZ3-CB 4.44Å; W190-A194 WeakPolarHBondContact O-CB 3.43Å; W190-A194 PolarHBondContact O-N 3.38Å; E191-A194 PolarHBondContact O-N 3.32Å; A194-A197 PolarHBondContact O-N 3.11Å; A194-K198 WeakPolarHBondContact O-CG 3.33Å; A194-K198 PolarHBondContact O-N 3.01Å
195	L	48	Very low	43.4	Very low	121 Å²	121	108.1 Å²	108.1	63%	0.634	55%	0.549	S	S	*	.	H	α-helix	trans	-64.1	-41.8	173.8	-75	168.3	0	0	0	111.6	E191 E192 A197 K198 A199	E191-L195 WeakPolarHBondContact O-CB 3.35Å; E191-L195 WeakPolarHBondContact O-CG 3.36Å; E191-L195 PolarHBondContact O-N 3.12Å; E192-L195 PolarHBondContact O-N 2.78Å; L195-A197 VanDerWaalsContact C-N 3.34Å; L195-A197 PolarHBondContact O-N 3.28Å; L195-K198 PolarHBondContact O-N 2.89Å; L195-A199 WeakPolarHBondContact O-CB 3.4Å; L195-A199 PolarHBondContact O-N 3.07Å
196	Q	48.3	Very low	43.4	Very low	136 Å²	136	105.4 Å²	105.4	64%	0.636	55%	0.552	S	S	*	*	H	α-helix	trans	-64.6	-36.9	174.9	-72.7	-180	15.7	0	0	112.5	E192 G193 K200	E192-Q196 VanDerWaalsContact O-CG 3.31Å; E192-Q196 WeakPolarHBondContact O-CG 3.28Å; E192-Q196 PolarHBondContact O-N 3.2Å; G193-Q196 PolarHBondContact O-N 3.18Å; Q196-K200 PolarHBondContact O-N 3.03Å; Q196-K200 VanDerWaalsContact O-N 3.15Å
197	A	40.6	Very low	43.6	Very low	54 Å²	54	108.6 Å²	108.6	45%	0.446	56%	0.561	S	S	.	*	H	α-helix	trans	-66.7	-45.2	174.8	0	0	0	0	0	111.9	G193 A194 L195 A199 K200 V201	G193-A197 PolarHBondContact O-N 3.33Å; A194-A197 PolarHBondContact O-N 3.11Å; L195-A197 VanDerWaalsContact C-N 3.34Å; L195-A197 PolarHBondContact O-N 3.28Å; A197-A199 VanDerWaalsContact C-N 3.34Å; A197-A199 PolarHBondContact O-N 3.09Å; A197-K200 PolarHBondContact O-N 3.4Å; A197-V201 WeakPolarHBondContact O-CG2 3.22Å; A197-V201 PolarHBondContact O-N 3.37Å; A197-V201 VanDerWaalsContact O-N 3.11Å
198	K	43.3	Very low	43.4	Very low	131 Å²	131	109 Å²	109	57%	0.57	57%	0.569	S	S	*	*	H	α-helix	trans	-63.4	-37.9	176.6	-75.1	179.2	-179.9	176.4	0	112.2	A194 L195 V201 R202	A194-K198 WeakPolarHBondContact O-CG 3.33Å; A194-K198 PolarHBondContact O-N 3.01Å; L195-K198 PolarHBondContact O-N 2.89Å; K198-V201 PolarHBondContact O-N 3.18Å; K198-R202 PolarHBondContact O-N 2.85Å
199	A	45.2	Very low	42.7	Very low	61 Å²	61	118 Å²	118	50%	0.504	60%	0.595	S	S	.	*	H	α-helix	trans	-64.4	-39.6	175	0	0	0	0	0	112.5	L195 A197 S203	L195-A199 WeakPolarHBondContact O-CB 3.4Å; L195-A199 PolarHBondContact O-N 3.07Å; A197-A199 VanDerWaalsContact C-N 3.34Å; A197-A199 PolarHBondContact O-N 3.09Å; A199-S203 PolarHBondContact O-N 2.85Å; A199-S203 VanDerWaalsContact O-N 3.16Å
200	K	43.4	Very low	42.4	Very low	159 Å²	159	122.4 Å²	122.4	69%	0.691	61%	0.61	S	S	*	*	H	α-helix	trans	-68.8	-29	175.4	-90	-179.2	176.5	174.6	0	114	Q196 A197 S203	Q196-K200 PolarHBondContact O-N 3.03Å; Q196-K200 VanDerWaalsContact O-N 3.15Å; A197-K200 PolarHBondContact O-N 3.4Å; K200-S203 PolarHBondContact O-OG 3.05Å
201	V	42.9	Very low	42.1	Very low	101 Å²	101	122.6 Å²	122.6	61%	0.612	62%	0.622	S	S	*	*	H	α-helix	trans	-78.4	-41.1	176.4	176.2	0	0	0	0	110.9	A197 K198 S203 R204 S205	A197-V201 WeakPolarHBondContact O-CG2 3.22Å; A197-V201 PolarHBondContact O-N 3.37Å; A197-V201 VanDerWaalsContact O-N 3.11Å; K198-V201 PolarHBondContact O-N 3.18Å; V201-S203 PolarHBondContact O-N 2.83Å; V201-R204 PolarHBondContact O-N 3.4Å; V201-R204 VanDerWaalsContact O-N 3.12Å; V201-S205 PolarHBondContact O-N 3.35Å
202	R	41.6	Very low	41.3	Very low	203 Å²	203	124 Å²	124	77%	0.766	64%	0.642	S	S	*	*	H	α-helix	trans	-65.6	-32.9	176.2	-83.8	-176.4	170.8	172.1	-3	113.6	K198 R204 S205 A206	K198-R202 PolarHBondContact O-N 2.85Å; R202-R204 VanDerWaalsContact C-N 3.26Å; R202-R204 PolarHBondContact O-N 2.98Å; R202-S205 PolarHBondContact O-OG 3.33Å; R202-A206 PolarHBondContact O-N 3.08Å
203	S	42.6	Very low	40.6	Very low	76 Å²	76	124.1 Å²	124.1	53%	0.531	65%	0.653	S	S	.	*	H	α-helix	trans	-73.7	-16.2	174.3	70.8	0	0	0	0	113.6	A199 K200 V201	A199-S203 PolarHBondContact O-N 2.85Å; A199-S203 VanDerWaalsContact O-N 3.16Å; K200-S203 PolarHBondContact O-OG 3.05Å; V201-S203 PolarHBondContact O-N 2.83Å
204	R	38.5	Very low	40	Very low	216 Å²	216	126.6 Å²	126.6	82%	0.815	67%	0.67	S	S	*	*	H	α-helix	trans	-92.8	-21.1	175.4	-83.1	-178.1	166.2	-178.6	-4.8	113.3	V201 R202	V201-R204 PolarHBondContact O-N 3.4Å; V201-R204 VanDerWaalsContact O-N 3.12Å; R202-R204 VanDerWaalsContact C-N 3.26Å; R202-R204 PolarHBondContact O-N 2.98Å
205	S	42.3	Very low	39.3	Very low	83 Å²	83	130.2 Å²	130.2	58%	0.58	69%	0.694	S	S	*	*	H	α-helix	trans	-94.3	-9.6	-179.8	67.2	0	0	0	0	114.7	V201 R202	V201-S205 PolarHBondContact O-N 3.35Å; R202-S205 PolarHBondContact O-OG 3.33Å
206	A	40.9	Very low	38.5	Very low	82 Å²	82	130.6 Å²	130.6	68%	0.678	70%	0.701	S	S	*	*	S	Bend	trans	-90.2	-3.3	-179	0	0	0	0	0	114.2	R202	R202-A206 PolarHBondContact O-N 3.08Å
207	Q	42.8	Very low	37.3	Very low	160 Å²	160	132 Å²	132	75%	0.748	71%	0.708	S	S	*	*	S	Bend	trans	-96.3	-5.8	-175.9	-134.2	81.3	18.6	0	0	114.4
208	D	35.5	Very low	36.7	Very low	130 Å²	130	136.6 Å²	136.6	70%	0.695	72%	0.724	S	S	*	*	S	Bend	trans	-132.9	107.9	-178.3	-73	-36.8	0	0	0	110.9
209	R	31.8	Very low	35.7	Very low	241 Å²	241	136.6 Å²	136.6	91%	0.909	73%	0.73	S	S	*	*			trans	129.7	86.3	156.3	-70.9	179.6	-112.2	-149.4	-4.7	116.6
210	F	37	Very low	34.7	Very low	197 Å²	197	141.9 Å²	141.9	86%	0.864	74%	0.742	S	S	*	*			trans	-120.1	130.8	133.5	-91.5	-100.2	0	0	0	102.8
211	D	33.8	Very low	33.8	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	74%	0.74	S	S	*	*			cis	-150.7	168.7	41.3	-86.6	-49.1	0	0	0	112.9
212	S	33.4	Very low	33	Very low	119 Å²	119	143 Å²	143	83%	0.832	75%	0.75	S	S	*	*			trans	-78.2	173	-158.8	-124.1	0	0	0	0	118.3
213	P	33.9	Very low	32.3	Very low	117 Å²	117	138.5 Å²	138.5	76%	0.76	75%	0.75	S	S	*	*			trans	-110.5	169.7	-162.6	42.4	-33.7	0	0	0	115.1
214	A	33.5	Very low	31.4	Very low	89 Å²	89	140.6 Å²	140.6	74%	0.736	76%	0.76	S	S	*	*			trans	-174.3	120.1	142.2	0	0	0	0	0	113.1
215	S	27	Very low	30.8	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	76%	0.763	S	S	*	*			trans	34.6	123.1	142.3	55	0	0	0	0	121.1
216	T	29.3	Very low	30.1	Very low	129 Å²	129	139.8 Å²	139.8	79%	0.791	77%	0.772	S	S	*	*				169.1	146.5	99	-57.8	0	0	0	0	110.3
217	Q	25	Very low	29.6	Very low	165 Å²	165	139.9 Å²	139.9	77%	0.771	77%	0.772	S	S	*	*			trans	-38.8	142.2	179.7	-58.2	168.8	-21.7	0	0	116.8
218	L	27.6	Very low	28.7	Very low	151 Å²	151	139.7 Å²	139.7	79%	0.791	78%	0.776	S	S	*	*				159.1	114.9	118.9	-85.3	157.2	0	0	0	112.3
219	N	22.4	Very low	28.3	Very low	131 Å²	131	139 Å²	139	70%	0.701	78%	0.782	S	S	*	*			trans	40.7	126.7	130.8	-79.3	-4.2	0	0	0	122.9
220	F	23.7	Very low	28.2	Very low	172 Å²	172	134.8 Å²	134.8	75%	0.754	78%	0.776	S	S	*	*			trans	85.3	121.5	137.2	-86.7	-104.5	0	0	0	120.8
221	T	25.4	Very low	27.8	Very low	104 Å²	104	130.8 Å²	130.8	64%	0.638	77%	0.772	S	S	*	*			trans	74	112.9	138.7	47.6	0	0	0	0	121.4
222	E	24.3	Very low	27.4	Very low	180 Å²	180	127.2 Å²	127.2	84%	0.841	77%	0.772	S	S	*	*				74.7	149.5	127.4	-73.3	-175.9	150.4	0	0	121.3
223	S	27.6	Very low	27.1	Very low	107 Å²	107	127.2 Å²	127.2	75%	0.748	77%	0.767	S	S	*	*			trans	84.4	85	163.8	51.3	0	0	0	0	119.3
224	T	24	Very low	26.7	Very low	121 Å²	121	129.9 Å²	129.9	74%	0.742	78%	0.775	S	S	*	*				29.9	136.2	116.5	49.8	0	0	0	0	121.6
225	E	26.3	Very low	26.5	Very low	189 Å²	189	130 Å²	130	88%	0.883	77%	0.766	S	S	*	*			trans	79.3	133.3	150.6	-72	174.4	-171.4	0	0	116.5
226	A	28	Very low	26.4	Very low	93 Å²	93	135.5 Å²	135.5	77%	0.769	78%	0.777	S	S	*	*			cis	-163.5	170.7	9.4	0	0	0	0	0	111.1
227	A	28.5	Very low	26.4	Very low	83 Å²	83	134.4 Å²	134.4	69%	0.686	77%	0.77	S	S	*	*			trans	88.1	98.3	144	0	0	0	0	0	120
228	D	25.2	Very low	26.5	Very low	156 Å²	156	132.2 Å²	132.2	83%	0.834	76%	0.763	S	S	*	*				62.1	108.9	117.8	-61.9	-20.5	0	0	0	120.9
229	S	26.9	Very low	26.4	Very low	115 Å²	115	130.4 Å²	130.4	80%	0.804	76%	0.76	S	S	*	*				-177	152.9	117.5	42.3	0	0	0	0	112.4
230	I	29.9	Very low	26.6	Very low	153 Å²	153	128.6 Å²	128.6	79%	0.785	76%	0.757	S	S	*	*			trans	100.4	76.1	163.4	-45	176.1	0	0	0	117.4
231	S	27.4	Very low	26.8	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	75%	0.752	S	S	*	*				25.5	121.2	128.1	56.6	0	0	0	0	122
232	G	25.5	Very low	26.9	Very low	80 Å²	80	132.9 Å²	132.9	83%	0.825	76%	0.764	S	S	*	*			trans	150.3	35.6	150.8	0	0	0	0	0	119
233	V	26.8	Very low	27	Very low	118 Å²	118	134.7 Å²	134.7	72%	0.715	76%	0.763	S	S	*	*			trans	-101.7	122.2	178.3	-178.6	0	0	0	0	111.4	T235	V233-T235 HydrophobicContact CG1-CG2 3.81Å; V233-T235 PolarHBondContact O-N 3.19Å
234	N	26.8	Very low	27	Very low	174 Å²	174	136.5 Å²	136.5	93%	0.93	76%	0.757	S	S	*	*			trans	-86.1	94.8	161	-91	-23.2	0	0	0	109.5
235	T	28.4	Very low	27.2	Very low	91 Å²	91	137 Å²	137	56%	0.558	76%	0.755	S	S	*	*			trans	-98.6	118.3	166.6	25.5	0	0	0	0	109.7	V233 T237	V233-T235 HydrophobicContact CG1-CG2 3.81Å; V233-T235 PolarHBondContact O-N 3.19Å; T235-T237 VanDerWaalsContact C-N 3.34Å; T235-T237 HydrophobicContact CG2-CG2 3.94Å; T235-T237 PolarHBondContact O-N 3.46Å
236	F	25.9	Very low	27.3	Very low	221 Å²	221	131.3 Å²	131.3	97%	0.969	74%	0.74	S	S	*	*			trans	-92.8	78.1	150.2	-101.2	-87.8	0	0	0	107.6
237	T	29.1	Very low	27.2	Very low	105 Å²	105	129.3 Å²	129.3	64%	0.644	72%	0.724	S	S	*	*			trans	-83.8	132	170.7	31.8	0	0	0	0	110.9	T235 P239	T235-T237 VanDerWaalsContact C-N 3.34Å; T235-T237 HydrophobicContact CG2-CG2 3.94Å; T235-T237 PolarHBondContact O-N 3.46Å; T237-P239 WeakPolarHBondContact O-CD 2.86Å
238	I	27.4	Very low	27.2	Very low	119 Å²	119	128.8 Å²	128.8	61%	0.61	71%	0.712	S	S	*	*			trans	-55.3	119.2	-179.2	-65.8	159.1	0	0	0	112.6	C240 M241	I238-C240 VanDerWaalsContact C-N 3.31Å; I238-C240 HydrophobicContact CG2-CB 4.04Å; I238-C240 PolarHBondContact O-N 3.42Å; I238-M241 HydrophobicContact CD1-CE 4.46Å; I238-M241 HydrophobicContact CG2-CG 4.29Å
239	P	24.9	Very low	27.3	Very low	114 Å²	114	129.4 Å²	129.4	74%	0.74	71%	0.707	S	S	*	*	S	Bend	trans	-83	7.1	166.9	-13.2	30.5	0	0	0	114.9	T237	T237-P239 WeakPolarHBondContact O-CD 2.86Å
240	C	27.4	Very low	27.3	Very low	93 Å²	93	128.2 Å²	128.2	63%	0.628	70%	0.698	S	S	*	*	S	Bend	trans	-103.5	-4.5	-166.3	-68.6	0	0	0	0	117.1	I238	I238-C240 VanDerWaalsContact C-N 3.31Å; I238-C240 HydrophobicContact CG2-CB 4.04Å; I238-C240 PolarHBondContact O-N 3.42Å
241	M	27.6	Very low	27.2	Very low	132 Å²	132	126.9 Å²	126.9	65%	0.65	69%	0.692	S	S	*	*	S	Bend	trans	-98.4	-23	-178.7	-70.2	-163.4	-157.2	0	0	115.1	I238 F244	I238-M241 HydrophobicContact CD1-CE 4.46Å; I238-M241 HydrophobicContact CG2-CG 4.29Å; M241-F244 PolarHBondContact O-N 3.46Å
242	R	26.4	Very low	27.1	Very low	234 Å²	234	125.3 Å²	125.3	88%	0.883	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-13.8	178.7	-88.1	-178.8	166.2	176.5	-4.4	114.9
243	R	27.6	Very low	27.2	Very low	218 Å²	218	128.4 Å²	128.4	82%	0.823	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-6.9	167.6	-76.8	-179.7	172.7	172.1	-2.2	113.5
244	F	27.3	Very low	27.2	Very low	145 Å²	145	129.1 Å²	129.1	64%	0.636	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-26.6	180	-143	-97.4	0	0	0	112.6	M241 T248	M241-F244 PolarHBondContact O-N 3.46Å; F244-T248 PolarHBondContact O-OG1 2.98Å
245	L	28.4	Very low	27.2	Very low	132 Å²	132	128.3 Å²	128.3	69%	0.691	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-15.8	175	-75.4	161.7	0	0	0	113.8	T248	L245-T248 WeakPolarHBondContact CA-OG1 3.04Å
246	A	27.1	Very low	27	Very low	69 Å²	69	127.2 Å²	127.2	57%	0.57	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-20	173.6	0	0	0	0	0	113.1
247	A	27.1	Very low	26.9	Very low	51 Å²	51	122.1 Å²	122.1	42%	0.421	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	-19.6	178	0	0	0	0	0	113.3
248	T	29.2	Very low	26.7	Very low	71 Å²	71	127.4 Å²	127.4	44%	0.436	69%	0.691	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.1	-16.6	177	24.3	0	0	0	0	113.3	F244 L245	F244-T248 PolarHBondContact O-OG1 2.98Å; L245-T248 WeakPolarHBondContact CA-OG1 3.04Å
249	F	26.2	Very low	26.6	Very low	169 Å²	169	128.3 Å²	128.3	74%	0.741	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-18.3	176.5	-128.6	-96.5	0	0	0	113.6
250	C	26.1	Very low	26.6	Very low	91 Å²	91	132.8 Å²	132.8	62%	0.615	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-13.8	178.4	-79.3	0	0	0	0	114.6
251	L	27.8	Very low	26.4	Very low	124 Å²	124	132.1 Å²	132.1	65%	0.649	70%	0.701	S	S	*	*	S	Bend	trans	-94.3	-14.7	179.5	-83.5	160	0	0	0	113.8	N253	L251-N253 VanDerWaalsContact C-N 3.29Å; L251-N253 PolarHBondContact O-N 3.17Å
252	A	27	Very low	26.4	Very low	81 Å²	81	135.2 Å²	135.2	67%	0.669	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-10.6	175.5	0	0	0	0	0	113.8
253	N	26.1	Very low	26.4	Very low	144 Å²	144	133.2 Å²	133.2	77%	0.77	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	2.9	-179.7	-76.5	-45	0	0	0	114.2	L251	L251-N253 VanDerWaalsContact C-N 3.29Å; L251-N253 PolarHBondContact O-N 3.17Å
254	L	27.2	Very low	26.3	Very low	133 Å²	133	126.8 Å²	126.8	70%	0.696	71%	0.706	S	S	*	*	S	Bend	trans	-117.2	-3.9	-170.5	-91.8	159.6	0	0	0	115.6
255	L	27.6	Very low	26.3	Very low	157 Å²	157	129.6 Å²	129.6	82%	0.822	72%	0.717	S	S	*	*			trans	-129.2	83.2	177	-68.2	172.4	0	0	0	109.3
256	G	23	Very low	26.2	Very low	69 Å²	69	135.3 Å²	135.3	71%	0.711	73%	0.73	S	S	*	*			trans	-60.4	156.7	169.6	0	0	0	0	0	112.4
257	S	24.4	Very low	26.3	Very low	114 Å²	114	135.8 Å²	135.8	80%	0.797	73%	0.734	S	S	*	*			trans	69.1	90.6	164.3	-54	0	0	0	0	115.3
258	F	24.9	Very low	26.2	Very low	215 Å²	215	143.1 Å²	143.1	94%	0.943	75%	0.752	S	S	*	*				-161.8	124	130	-108.9	-77.4	0	0	0	110.5	F260	F258-F260 PolarHBondContact O-N 3.47Å
259	D	24.9	Very low	26	Very low	138 Å²	138	143.7 Å²	143.7	74%	0.738	77%	0.772	S	S	*	*			trans	-77.8	101.8	-166.2	-156.4	-22	0	0	0	111.5	S261	D259-S261 WeakPolarHBondContact OD1-CB 3.42Å; D259-S261 PolarHBondContact OD1-OG 2.74Å
260	F	25.2	Very low	25.9	Very low	208 Å²	208	145.6 Å²	145.6	91%	0.912	78%	0.78	S	S	*	*			trans	-97.7	36.9	-178.6	-140	-93.5	0	0	0	112.2	F258	F258-F260 PolarHBondContact O-N 3.47Å
261	S	23.4	Very low	26	Very low	79 Å²	79	146 Å²	146	55%	0.552	79%	0.79	S	S	*	*			trans	-102.1	3.9	-167.5	71.4	0	0	0	0	117.3	D259	D259-S261 WeakPolarHBondContact OD1-CB 3.42Å; D259-S261 PolarHBondContact OD1-OG 2.74Å
262	K	26.6	Very low	25.9	Very low	198 Å²	198	144.5 Å²	144.5	86%	0.861	80%	0.796	S	S	*	*	S	Bend	trans	-131.3	6.9	-171.2	-88.7	-179.9	-179.5	172.5	0	120.2
263	Q	26.8	Very low	25.9	Very low	192 Å²	192	147 Å²	147	90%	0.897	81%	0.805	S	S	*	*	S	Bend	trans	-125.8	0.8	178.8	-94.7	173.9	6.1	0	0	117.6
264	A	26.3	Very low	25.9	Very low	83 Å²	83	143.4 Å²	143.4	69%	0.686	80%	0.802	S	S	*	*	S	Bend	trans	-91.4	-1.9	175.5	0	0	0	0	0	114.9
265	K	26.8	Very low	26	Very low	203 Å²	203	142.6 Å²	142.6	88%	0.883	81%	0.808	S	S	*	*	S	Bend	trans	-99.8	13.4	-175.2	-80.7	-176.1	175.9	178.9	0	115.8
266	R	26.7	Very low	25.8	Very low	253 Å²	253	140.1 Å²	140.1	96%	0.955	80%	0.803	S	S	*	*	S	Bend	trans	-118.6	0.9	-179.7	-91.8	-177.9	173.8	170.6	-2	115.8
267	A	28.4	Very low	25.9	Very low	79 Å²	79	143.4 Å²	143.4	65%	0.653	81%	0.814	S	S	*	*	S	Bend	trans	-113.3	-6.2	-175.7	0	0	0	0	0	114.9
268	Y	25.1	Very low	25.9	Very low	205 Å²	205	145.4 Å²	145.4	80%	0.804	81%	0.814	S	S	*	*			trans	-132	86.7	179.3	-68.8	-82.8	0	0	0	109.3	F270	Y268-F270 PolarHBondContact O-N 3.33Å
269	G	25.4	Very low	26	Very low	83 Å²	83	143.1 Å²	143.1	86%	0.856	81%	0.811	S	S	*	*			trans	-81.6	88.6	175.9	0	0	0	0	0	110.9
270	F	24.7	Very low	26.2	Very low	208 Å²	208	140.5 Å²	140.5	91%	0.912	81%	0.808	S	S	*	*			trans	-69.2	122.3	158.1	-101	-95.8	0	0	0	108.6	Y268	Y268-F270 PolarHBondContact O-N 3.33Å
271	A	27.7	Very low	26.1	Very low	99 Å²	99	142.9 Å²	142.9	82%	0.818	81%	0.811	S	S	*	*			trans	-116.8	118.9	161	0	0	0	0	0	108.3
272	A	25	Very low	26.2	Very low	94 Å²	94	142.5 Å²	142.5	78%	0.777	82%	0.82	S	S	*	*			trans	-78	168.2	179.1	0	0	0	0	0	111.4
273	P	28.1	Very low	26.2	Very low	133 Å²	133	142.1 Å²	142.1	86%	0.864	82%	0.818	S	S	*	*			trans	-88	152.5	-149.7	35.9	-34.7	0	0	0	113.4
274	G	25.1	Very low	26.2	Very low	68 Å²	68	141.3 Å²	141.3	70%	0.701	81%	0.814	S	S	*	*			trans	166.9	132.2	164.9	0	0	0	0	0	113.9
275	S	29.3	Very low	26.1	Very low	117 Å²	117	141.9 Å²	141.9	82%	0.818	82%	0.819	S	S	*	*			trans	103.6	85.3	159.8	-36.9	0	0	0	0	116.3
276	S	23.8	Very low	26	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	82%	0.818	S	S	*	*			trans	6.5	128	135.4	55.6	0	0	0	0	118.1
277	C	25.7	Very low	25.9	Very low	138 Å²	138	132.8 Å²	132.8	93%	0.932	81%	0.805	S	S	*	*				-153.7	125	127.8	-91.3	0	0	0	0	110
278	I	23.6	Very low	25.7	Very low	156 Å²	156	141.2 Å²	141.2	80%	0.8	82%	0.82	S	S	*	*			trans	-79.2	145.5	178.8	-69.5	157.7	0	0	0	109.1
279	L	26.7	Very low	25.6	Very low	168 Å²	168	135.5 Å²	135.5	88%	0.88	81%	0.81	S	S	*	*			trans	147.4	134.9	150.1	-80.4	154	0	0	0	107.5
280	A	28.8	Very low	25.6	Very low	82 Å²	82	136.6 Å²	136.6	68%	0.678	80%	0.801	S	S	*	*			cis	-166.6	117.2	-7.3	0	0	0	0	0	106
281	R	24.2	Very low	25.7	Very low	259 Å²	259	134.4 Å²	134.4	98%	0.977	80%	0.797	S	S	*	*				53.5	116.1	121.8	-98.4	-178.2	173.1	177.2	-1.7	117.5
282	G	24.5	Very low	25.8	Very low	71 Å²	71	138.8 Å²	138.8	73%	0.732	80%	0.797	S	S	*	*			trans	129.1	89.6	133.6	0	0	0	0	0	116.6
283	K	27.7	Very low	25.8	Very low	189 Å²	189	141.1 Å²	141.1	82%	0.822	80%	0.797	S	S	*	*				178.2	118.4	106.1	-95.2	172.5	178.7	-176	0	112.1
284	E	27.4	Very low	25.8	Very low	176 Å²	176	143.1 Å²	143.1	82%	0.822	80%	0.801	S	S	*	*			trans	58.9	111.7	137.4	-68.5	165.9	173.1	0	0	120.4
285	A	22.2	Very low	25.9	Very low	95 Å²	95	143 Å²	143	79%	0.785	80%	0.799	S	S	*	*			trans	-55.9	135.7	163.4	0	0	0	0	0	112.8
286	L	25.3	Very low	25.7	Very low	166 Å²	166	143.4 Å²	143.4	87%	0.869	80%	0.802	S	S	*	*			trans	-153.5	123.2	145.1	-112.2	124.2	0	0	0	111.2
287	S	25.3	Very low	26	Very low	98 Å²	98	143.2 Å²	143.2	69%	0.685	79%	0.788	S	S	*	*			trans	60.3	88.8	158.5	60.7	0	0	0	0	119.2	S289	S287-S289 PolarHBondContact O-N 3.34Å
288	R	23.3	Very low	26.4	Very low	257 Å²	257	146.4 Å²	146.4	97%	0.97	79%	0.786	S	S	*	*			trans	-78.4	90.8	148.3	-169.1	177.6	-171.4	160.5	1.8	107.6
289	S	23.9	Very low	27.2	Very low	84 Å²	84	139.1 Å²	139.1	59%	0.587	75%	0.749	S	S	*	*			trans	-170.3	126.4	168.5	48.9	0	0	0	0	112.4	S287	S287-S289 PolarHBondContact O-N 3.34Å
290	T	24.3	Very low	27.9	Very low	107 Å²	107	135.1 Å²	135.1	66%	0.656	74%	0.735	S	S	*	*			trans	68	87.3	146.1	61.6	0	0	0	0	120.3
291	I	28.1	Very low	28.9	Very low	161 Å²	161	137.2 Å²	137.2	83%	0.826	74%	0.735	S	S	*	*	S	Bend	trans	-130.1	7.5	139.6	-54.2	179.9	0	0	0	111
292	F	30	Very low	30.2	Very low	191 Å²	191	130.8 Å²	130.8	84%	0.838	71%	0.711	S	S	*	*	S	Bend	trans	-122.9	66	175.4	-65.6	-79.6	0	0	0	109
293	D	25.3	Very low	31.8	Very low	144 Å²	144	129.9 Å²	129.9	77%	0.77	69%	0.689	S	S	*	*			trans	-148.1	127.8	161.8	-93.7	-36.2	0	0	0	110.3
294	D	27	Very low	33.1	Very low	175 Å²	175	123.3 Å²	123.3	94%	0.936	67%	0.667	S	S	*	*	S	Bend	trans	69.1	115.2	161.8	-116	-13.1	0	0	0	121.2
295	G	26.6	Very low	34.8	Very low	65 Å²	65	120.1 Å²	120.1	67%	0.67	66%	0.655	S	S	*	*	S	Bend	trans	131.8	77.3	160	0	0	0	0	0	117	F297	G295-F297 PolarHBondContact O-N 2.91Å
296	S	26.6	Very low	37.1	Very low	125 Å²	125	115.9 Å²	115.9	87%	0.874	62%	0.619	S	S	*	*			trans	52	61.8	151.8	-172.1	0	0	0	0	117
297	F	30.2	Very low	39.1	Very low	100 Å²	100	117.2 Å²	117.2	44%	0.439	61%	0.613	S	S	.	*			trans	-96	106.4	172.5	-128.5	-54.2	0	0	0	111.2	G295 S299 S300 M353	G295-F297 PolarHBondContact O-N 2.91Å; F297-S299 WeakPolarHBondContact CD1-OG 3.34Å; F297-S299 WeakPolarHBondContact CE1-OG 3.29Å; F297-S299 WeakPolarHBondContact CG-OG 3.44Å; F297-S299 PolarHBondContact O-N 2.88Å; F297-S300 PolarHBondContact O-N 3.34Å; F297-M353 HydrophobicContact CE2-CE 4.46Å; F297-M353 HydrophobicContact CZ-CE 3.83Å
298	K	32.7	Very low	41.6	Very low	205 Å²	205	120.7 Å²	120.7	89%	0.891	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	6	165.5	-74.6	-176	177.7	177	0	113.5
299	S	40.8	Very low	44.4	Very low	4 Å²	4	111.7 Å²	111.7	3%	0.028	58%	0.584	C	S	.	*	T	Hydrogen-bonded Turn	trans	-92.8	-6.3	176.1	80.4	0	0	0	0	114.1	F297 N301 R302 L303	F297-S299 WeakPolarHBondContact CD1-OG 3.34Å; F297-S299 WeakPolarHBondContact CE1-OG 3.29Å; F297-S299 WeakPolarHBondContact CG-OG 3.44Å; F297-S299 PolarHBondContact O-N 2.88Å; S299-N301 PolarHBondContact O-N 2.81Å; S299-R302 PolarHBondContact O-N 2.9Å; S299-L303 PolarHBondContact O-N 3.28Å; S299-L303 WeakPolarHBondContact OG-CD1 3.26Å
300	S	42.6	Very low	47.4	Very low	83 Å²	83	110.7 Å²	110.7	58%	0.58	58%	0.575	S	S	*	*	H	α-helix	trans	-52.6	-36	-173.6	-171.9	0	0	0	0	113	F297 S304	F297-S300 PolarHBondContact O-N 3.34Å; S300-S304 PolarHBondContact O-N 3.28Å; S300-S304 PolarHBondContact O-OG 2.68Å
301	N	48.3	Very low	50.5	Low	126 Å²	126	105.9 Å²	105.9	67%	0.674	55%	0.545	S	S	*	.	H	α-helix	trans	-75.2	-26.4	177.4	-76.7	6.4	0	0	0	114.1	S299 S304	S299-N301 PolarHBondContact O-N 2.81Å; N301-S304 VanDerWaalsContact C-OG 3.31Å; N301-S304 WeakPolarHBondContact CA-OG 3.2Å; N301-S304 PolarHBondContact O-OG 3.33Å
302	R	52.6	Low	53.4	Low	124 Å²	124	100.2 Å²	100.2	47%	0.468	52%	0.52	S	S	.	.	H	α-helix	trans	-81.2	-34	-179.1	-73	-169.3	-81.8	-164.9	0.2	111.9	S299 L306	S299-R302 PolarHBondContact O-N 2.9Å; R302-L306 WeakPolarHBondContact O-CG 3.36Å
303	L	57.7	Low	56.2	Low	52 Å²	52	92.5 Å²	92.5	27%	0.272	49%	0.489	S	S	.	.	H	α-helix	trans	-72.7	-34.5	175.7	-77.6	160.2	0	0	0	112	S299 D305 L306 R307 L357 M379	S299-L303 PolarHBondContact O-N 3.28Å; S299-L303 WeakPolarHBondContact OG-CD1 3.26Å; L303-D305 VanDerWaalsContact C-N 3.33Å; L303-D305 PolarHBondContact O-N 3.28Å; L303-L306 PolarHBondContact O-N 3.03Å; L303-R307 PolarHBondContact O-N 3.21Å; L303-L357 HydrophobicContact CD2-CD1 4.25Å; L303-L357 HydrophobicContact CD2-CD2 3.9Å; L303-L357 HydrophobicContact CG-CD1 4.48Å; L303-M379 HydrophobicContact CD2-SD 4.42Å
304	S	55.3	Low	59.2	Low	52 Å²	52	92.6 Å²	92.6	36%	0.364	49%	0.49	S	S	.	.	H	α-helix	trans	-60.8	-41.7	176.7	51.7	0	0	0	0	112.3	S300 N301 L306 R307	S300-S304 PolarHBondContact O-N 3.28Å; S300-S304 PolarHBondContact O-OG 2.68Å; N301-S304 VanDerWaalsContact C-OG 3.31Å; N301-S304 WeakPolarHBondContact CA-OG 3.2Å; N301-S304 PolarHBondContact O-OG 3.33Å; S304-L306 PolarHBondContact O-N 3.42Å; S304-R307 PolarHBondContact O-N 2.87Å
305	D	61.7	Low	62.3	Low	109 Å²	109	89 Å²	89	58%	0.583	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-19	-178.5	-65.6	-4.5	0	0	0	113.1	L303	L303-D305 VanDerWaalsContact C-N 3.33Å; L303-D305 PolarHBondContact O-N 3.28Å
306	L	71.3	Confident	65.4	Low	5 Å²	5	86.5 Å²	86.5	3%	0.026	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-11.9	179.4	-66.6	176.6	0	0	0	113.6	R302 L303 S304 E308 W309 T310 L357 V360 N364 M379	R302-L306 WeakPolarHBondContact O-CG 3.36Å; L303-L306 PolarHBondContact O-N 3.03Å; S304-L306 PolarHBondContact O-N 3.42Å; L306-E308 PolarHBondContact O-N 3.17Å; L306-W309 CarbonylContact O-C 3.53Å; L306-W309 PolarHBondContact O-N 3.31Å; L306-T310 PolarHBondContact O-N 3.29Å; L306-T310 PolarHBondContact O-OG1 2.78Å; L306-L357 HydrophobicContact CD1-CD2 3.82Å; L306-V360 HydrophobicContact CD1-CG1 3.95Å; L306-V360 HydrophobicContact CD2-CG1 3.62Å; L306-V360 HydrophobicContact CG-CG1 4.44Å; L306-N364 HydrophobicContact CD2-CB 4.28Å; L306-M379 HydrophobicContact CB-CE 4.02Å; L306-M379 HydrophobicContact CD1-SD 4.45Å
307	R	68.6	Low	68.5	Low	195 Å²	195	82.9 Å²	82.9	74%	0.736	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-58.9	-37.6	-179.7	-72.4	-175.6	177.9	-172.8	-1	112.2	L303 S304 W309 T310	L303-R307 PolarHBondContact O-N 3.21Å; S304-R307 PolarHBondContact O-N 2.87Å; R307-W309 PolarHBondContact O-N 2.82Å; R307-T310 PolarHBondContact O-N 3.37Å; R307-T310 PolarHBondContact O-OG1 3.26Å
308	E	75.8	Confident	71.5	Confident	170 Å²	170	82 Å²	82	79%	0.794	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-65	-23.7	177.6	-63	-176.7	174.3	0	0	113.4	L306	L306-E308 PolarHBondContact O-N 3.17Å
309	W	82.9	Confident	74.3	Confident	68 Å²	68	75.9 Å²	75.9	26%	0.258	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-103.8	4	-177.3	-60.5	93.5	0	0	0	112.7	L306 R307 N364 F374 G376 V377	L306-W309 CarbonylContact O-C 3.53Å; L306-W309 PolarHBondContact O-N 3.31Å; R307-W309 PolarHBondContact O-N 2.82Å; W309-N364 PolarHBondContact NE1-OD1 3.09Å; W309-N364 VanDerWaalsContact NE1-OD1 3.14Å; W309-F374 HydrophobicContact CB-CE1 4.1Å; W309-F374 HydrophobicContact CB-CZ 4.43Å; W309-F374 HydrophobicContact CD2-CE1 4.19Å; W309-F374 HydrophobicContact CE3-CE1 4.17Å; W309-F374 HydrophobicContact CG-CE1 4.14Å; W309-G376 CarbonylContact O-C 3.46Å; W309-G376 WeakPolarHBondContact O-CA 3.38Å; W309-V377 PolarHBondContact O-N 3.21Å
310	T	87.1	Confident	76.7	Confident	63 Å²	63	80.9 Å²	80.9	39%	0.387	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-78	124.1	-177.8	-55.6	0	0	0	0	109.8	L306 R307 V377 M379	L306-T310 PolarHBondContact O-N 3.29Å; L306-T310 PolarHBondContact O-OG1 2.78Å; R307-T310 PolarHBondContact O-N 3.37Å; R307-T310 PolarHBondContact O-OG1 3.26Å; T310-V377 CarbonylContact C-O 3.52Å; T310-V377 VanDerWaalsContact CA-O 3.26Å; T310-V377 WeakPolarHBondContact CA-O 3.31Å; T310-M379 HydrophobicContact CG2-CE 4.41Å; T310-M379 WeakPolarHBondContact OG1-CE 3.23Å
311	I	89.6	Confident	78.9	Confident	6 Å²	6	79.4 Å²	79.4	3%	0.031	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-103.8	132.7	178.2	-61.6	168.8	0	0	0	108.2	D315 L316 W335 V377 V378 V387	I311-D315 HydrophobicContact CG2-CB 4.45Å; I311-L316 HydrophobicContact CG2-CD1 4.45Å; I311-L316 HydrophobicContact CG2-CD2 3.9Å; I311-L316 HydrophobicContact CG2-CG 3.97Å; I311-W335 HydrophobicContact CD1-CD2 3.82Å; I311-W335 HydrophobicContact CD1-CE3 4.05Å; I311-W335 HydrophobicContact CD1-CG 4.42Å; I311-W335 HydrophobicContact CD1-CH2 4.01Å; I311-W335 HydrophobicContact CD1-CZ2 3.8Å; I311-W335 HydrophobicContact CD1-CZ3 4.14Å; I311-W335 HydrophobicContact CG1-CD2 4.44Å; I311-W335 HydrophobicContact CG1-CH2 4.25Å; I311-W335 HydrophobicContact CG1-CZ2 3.69Å; I311-W335 HydrophobicContact CG2-CG 4.38Å; I311-V377 PolarHBondContact N-O 3.14Å; I311-V378 HydrophobicContact CB-CG2 4.28Å; I311-V387 HydrophobicContact CD1-CB 3.92Å; I311-V387 HydrophobicContact CD1-CG1 4.26Å; I311-V387 HydrophobicContact CD1-CG2 3.87Å
312	S	88.5	Confident	80.7	Confident	42 Å²	42	76.5 Å²	76.5	29%	0.294	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-66.9	136.1	171.1	-175.7	0	0	0	0	109.9	D314 D315	S312-D314 PolarHBondContact O-N 3.45Å; S312-D314 PolarHBondContact OG-N 3.32Å; S312-D315 PolarHBondContact O-N 3.41Å; S312-D315 VanDerWaalsContact O-N 3.08Å
313	S	88.2	Confident	82.1	Confident	29 Å²	29	71.8 Å²	71.8	20%	0.203	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-60.9	-27.8	176.3	66.9	0	0	0	0	112.7	D315 L316 E380	S313-D315 PolarHBondContact O-N 2.72Å; S313-L316 PolarHBondContact O-N 3.18Å; S313-L316 VanDerWaalsContact O-N 3.15Å; S313-E380 WeakPolarHBondContact CB-OE2 3.28Å; S313-E380 PolarHBondContact N-OE1 2.7Å; S313-E380 VanDerWaalsContact OG-CD 3.31Å; S313-E380 PolarHBondContact OG-OE1 3.44Å; S313-E380 PolarHBondContact OG-OE2 2.65Å
314	D	89	Confident	83.3	Confident	146 Å²	146	73.6 Å²	73.6	78%	0.781	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-65.5	-25.4	176.3	-67.7	-32.8	0	0	0	113.1	S312 L316	S312-D314 PolarHBondContact O-N 3.45Å; S312-D314 PolarHBondContact OG-N 3.32Å; D314-L316 VanDerWaalsContact C-N 3.29Å
315	D	91.4	Very high	84	Confident	99 Å²	99	71.5 Å²	71.5	53%	0.529	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-83.8	-7.9	178.2	-64.7	-33.3	0	0	0	112.4	I311 S312 S313	I311-D315 HydrophobicContact CG2-CB 4.45Å; S312-D315 PolarHBondContact O-N 3.41Å; S312-D315 VanDerWaalsContact O-N 3.08Å; S313-D315 PolarHBondContact O-N 2.72Å
316	L	91.8	Very high	84.3	Confident	14 Å²	14	72.4 Å²	72.4	7%	0.073	37%	0.365	C	S	.	.			trans	-96.6	128.3	-179.9	-65.4	-176.8	0	0	0	111.4	I311 S313 D314 F318 W335 I341 V378 V387	I311-L316 HydrophobicContact CG2-CD1 4.45Å; I311-L316 HydrophobicContact CG2-CD2 3.9Å; I311-L316 HydrophobicContact CG2-CG 3.97Å; S313-L316 PolarHBondContact O-N 3.18Å; S313-L316 VanDerWaalsContact O-N 3.15Å; D314-L316 VanDerWaalsContact C-N 3.29Å; L316-F318 HydrophobicContact CB-CE2 4.26Å; L316-F318 HydrophobicContact CB-CZ 4.4Å; L316-W335 HydrophobicContact CD2-CB 3.61Å; L316-W335 HydrophobicContact CD2-CG 3.81Å; L316-I341 HydrophobicContact CB-CD1 4.44Å; L316-I341 HydrophobicContact CD1-CD1 4.38Å; L316-I341 HydrophobicContact CD2-CD1 4.44Å; L316-V378 HydrophobicContact CD1-CG2 3.4Å; L316-V387 HydrophobicContact CD1-CG2 4.15Å; L316-V387 HydrophobicContact CD2-CG2 4.27Å
317	S	92.9	Very high	84.3	Confident	49 Å²	49	75 Å²	75	34%	0.343	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134.7	165.4	56.1	0	0	0	0	110.2	G333 R334	S317-G333 CarbonylContact O-C 3.48Å; S317-G333 WeakPolarHBondContact O-CA 3.42Å; S317-R334 PolarHBondContact N-O 2.97Å; S317-R334 PolarHBondContact O-N 3.42Å; S317-R334 WeakPolarHBondContact OG-CB 3.33Å; S317-R334 PolarHBondContact OG-N 3.21Å; S317-R334 PolarHBondContact OG-O 3.32Å; S317-R334 VanDerWaalsContact OG-O 3.14Å
318	F	92.8	Very high	84.7	Confident	81 Å²	81	67.5 Å²	67.5	36%	0.355	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.5	177.5	-60	-93.2	0	0	0	109.5	L316 Y331 I341 I343 L383	L316-F318 HydrophobicContact CB-CE2 4.26Å; L316-F318 HydrophobicContact CB-CZ 4.4Å; F318-Y331 HydrophobicContact CB-CD1 4.48Å; F318-Y331 HydrophobicContact CD1-CD1 4.46Å; F318-Y331 HydrophobicContact CD1-CD2 4.49Å; F318-Y331 HydrophobicContact CD1-CG 4.1Å; F318-I341 HydrophobicContact CD1-CD1 3.78Å; F318-I341 HydrophobicContact CE1-CB 4.33Å; F318-I341 HydrophobicContact CE1-CD1 3.71Å; F318-I341 HydrophobicContact CE1-CG2 3.84Å; F318-I341 HydrophobicContact CG-CD1 4.46Å; F318-I341 HydrophobicContact CZ-CD1 4.33Å; F318-I343 HydrophobicContact CD1-CD1 4.36Å; F318-I343 HydrophobicContact CE1-CD1 3.73Å; F318-I343 HydrophobicContact CE1-CG1 4.39Å; F318-L383 HydrophobicContact CZ-CD2 3.79Å
319	D	91.6	Very high	85.2	Confident	76 Å²	76	61.2 Å²	61.2	41%	0.406	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-110.3	176	-63.9	-53.9	0	0	0	109.2	K332 R334	D319-K332 WeakPolarHBondContact CA-O 3.31Å; D319-K332 HydrophobicContact CB-CB 4.41Å; D319-K332 PolarHBondContact N-O 3.1Å; D319-R334 IonicContact OD1-CZ 3.58Å; D319-R334 IonicContact OD1-NE 3.41Å; D319-R334 PolarHBondContact OD1-NE 2.96Å; D319-R334 IonicContact OD1-NH2 2.85Å; D319-R334 PolarHBondContact OD1-NH2 3.5Å; D319-R334 WeakPolarHBondContact OD2-CG 3.48Å; D319-R334 IonicContact OD2-CZ 3.98Å; D319-R334 IonicContact OD2-NE 3.15Å; D319-R334 PolarHBondContact OD2-NE 3.23Å; D319-R334 VanDerWaalsContact OD2-NE 3.15Å; D319-R334 IonicContact OD2-NH2 3.86Å
320	E	91.1	Very high	85.4	Confident	109 Å²	109	58 Å²	58	51%	0.509	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	133.5	-174.3	-177.2	-172.6	-168.1	0	0	112.8	I322 Y331 K332	E320-I322 PolarHBondContact O-N 2.78Å; E320-Y331 CarbonylContact O-C 3.16Å; E320-Y331 WeakPolarHBondContact O-CA 3.43Å; E320-K332 PolarHBondContact O-N 3.34Å; E320-K332 IonicContact OE2-NZ 2.78Å; E320-K332 PolarHBondContact OE2-NZ 3.18Å
321	C	89.6	Confident	85.6	Confident	52 Å²	52	57.6 Å²	57.6	35%	0.351	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	110.7	167.7	-169.3	0	0	0	0	110.2	Y331	C321-Y331 HydrophobicContact CB-CD1 3.88Å; C321-Y331 HydrophobicContact CB-CE1 3.48Å; C321-Y331 VanDerWaalsContact CB-CE1 3.48Å
322	I	85.6	Confident	85.8	Confident	65 Å²	65	61.3 Å²	61.3	33%	0.333	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-42.8	177.9	-62.7	170	0	0	0	110.7	E320 I330 K332 M340 F469	E320-I322 PolarHBondContact O-N 2.78Å; I322-I330 HydrophobicContact CB-CG2 4.45Å; I322-I330 HydrophobicContact CD1-CG2 4.38Å; I322-I330 PolarHBondContact N-O 2.89Å; I322-K332 HydrophobicContact CD1-CD 4.26Å; I322-K332 HydrophobicContact CD1-CG 3.49Å; I322-K332 VanDerWaalsContact CD1-CG 3.49Å; I322-K332 HydrophobicContact CG1-CG 3.9Å; I322-M340 HydrophobicContact CD1-CE 3.29Å; I322-M340 HydrophobicContact CD1-SD 3.38Å; I322-M340 WeakPolarHBondContact CD1-SD 3.26Å; I322-F469 HydrophobicContact CG2-CE1 4.46Å
323	L	81.5	Confident	86	Confident	25 Å²	25	59.4 Å²	59.4	13%	0.131	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	126	-175.1	-172.9	76.9	0	0	0	110	Q329 I330	L323-Q329 CarbonylContact O-C 3.41Å; L323-Q329 VanDerWaalsContact O-CA 3.31Å; L323-Q329 WeakPolarHBondContact O-CA 3.27Å; L323-I330 HydrophobicContact CB-CB 4Å; L323-I330 HydrophobicContact CB-CD1 3.88Å; L323-I330 HydrophobicContact CB-CG1 4.1Å; L323-I330 HydrophobicContact CD2-CD1 3.56Å; L323-I330 HydrophobicContact CD2-CG1 4.25Å; L323-I330 HydrophobicContact CG-CD1 4.37Å; L323-I330 PolarHBondContact N-O 2.89Å; L323-I330 PolarHBondContact O-N 2.72Å
324	D	82.4	Confident	86.3	Confident	90 Å²	90	64.8 Å²	64.8	48%	0.481	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	90.2	167.5	-169.9	27.1	0	0	0	109.5	Q329 K345	D324-Q329 WeakPolarHBondContact OD1-CG 3.48Å; D324-Q329 PolarHBondContact OD1-NE2 3.47Å; D324-K345 VanDerWaalsContact OD1-CE 3.28Å; D324-K345 WeakPolarHBondContact OD1-CE 3.38Å; D324-K345 IonicContact OD1-NZ 2.65Å; D324-K345 PolarHBondContact OD1-NZ 2.85Å; D324-K345 IonicContact OD2-NZ 3.91Å
325	G	71.7	Confident	86.4	Confident	9 Å²	9	60.9 Å²	60.9	9%	0.093	31%	0.305	C	S	.	.			trans	-88.1	171.3	-179.3	0	0	0	0	0	113.3	N328 K345	G325-N328 CarbonylContact C-O 3.58Å; G325-N328 WeakPolarHBondContact CA-O 3.26Å; G325-N328 PolarHBondContact N-O 3.48Å; G325-K345 VanDerWaalsContact O-CE 3.24Å; G325-K345 WeakPolarHBondContact O-CE 3.42Å; G325-K345 PolarHBondContact O-NZ 2.75Å
326	K	67.8	Low	86.3	Confident	127 Å²	127	64.8 Å²	64.8	55%	0.552	32%	0.32	S	S	*	.	S	Bend	trans	-69	-47.7	173.2	-172.8	-166.2	172.4	-154.1	0	111.1	E506	K326-E506 IonicContact NZ-OE1 2.68Å; K326-E506 PolarHBondContact NZ-OE1 3.34Å
327	A	69.9	Low	86.3	Confident	59 Å²	59	66.1 Å²	66.1	49%	0.488	34%	0.337	S	S	.	.	S	Bend	trans	-85.7	-41.5	-179.1	0	0	0	0	0	112.2	K345	A327-K345 VanDerWaalsContact O-CB 3.3Å; A327-K345 WeakPolarHBondContact O-CB 3.41Å; A327-K345 PolarHBondContact O-N 2.67Å
328	N	77.4	Confident	86.3	Confident	38 Å²	38	67.1 Å²	67.1	20%	0.203	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.9	-170.8	-61.2	-7.7	0	0	0	112.7	G325 N342 I343 Y344	G325-N328 CarbonylContact C-O 3.58Å; G325-N328 WeakPolarHBondContact CA-O 3.26Å; G325-N328 PolarHBondContact N-O 3.48Å; N328-N342 WeakPolarHBondContact CB-OD1 3.46Å; N328-I343 CarbonylContact C-O 3.38Å; N328-I343 WeakPolarHBondContact CA-O 3.49Å; N328-I343 WeakPolarHBondContact CB-O 3.19Å; N328-Y344 WeakPolarHBondContact OD1-CD1 3.32Å
329	Q	86.4	Confident	86.3	Confident	39 Å²	39	63.3 Å²	63.3	18%	0.182	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.4	166.8	-53.5	-177.1	-58.3	0	0	109.9	L323 D324 Y331 N342 I343 K345	L323-Q329 CarbonylContact O-C 3.41Å; L323-Q329 VanDerWaalsContact O-CA 3.31Å; L323-Q329 WeakPolarHBondContact O-CA 3.27Å; D324-Q329 WeakPolarHBondContact OD1-CG 3.48Å; D324-Q329 PolarHBondContact OD1-NE2 3.47Å; Q329-Y331 HydrophobicContact CB-CD2 4.1Å; Q329-Y331 HydrophobicContact CB-CE2 3.62Å; Q329-Y331 HydrophobicContact CG-CE2 4.47Å; Q329-N342 CarbonylContact O-C 3.46Å; Q329-N342 WeakPolarHBondContact O-CA 3.23Å; Q329-I343 HydrophobicContact CB-CB 4.27Å; Q329-I343 PolarHBondContact N-O 2.86Å; Q329-I343 PolarHBondContact O-N 2.83Å; Q329-K345 HydrophobicContact CG-CD 4.13Å; Q329-K345 HydrophobicContact CG-CG 4.01Å; Q329-K345 VanDerWaalsContact NE2-CE 3.28Å
330	I	87.9	Confident	86.3	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121	178.8	-53.2	169.5	0	0	0	108.5	I322 L323 M340 I341 I467 F469	I322-I330 HydrophobicContact CB-CG2 4.45Å; I322-I330 HydrophobicContact CD1-CG2 4.38Å; I322-I330 PolarHBondContact N-O 2.89Å; L323-I330 HydrophobicContact CB-CB 4Å; L323-I330 HydrophobicContact CB-CD1 3.88Å; L323-I330 HydrophobicContact CB-CG1 4.1Å; L323-I330 HydrophobicContact CD2-CD1 3.56Å; L323-I330 HydrophobicContact CD2-CG1 4.25Å; L323-I330 HydrophobicContact CG-CD1 4.37Å; L323-I330 PolarHBondContact N-O 2.89Å; L323-I330 PolarHBondContact O-N 2.72Å; I330-M340 HydrophobicContact CG2-CE 3.49Å; I330-M340 VanDerWaalsContact CG2-CE 3.49Å; I330-I341 WeakPolarHBondContact CA-O 3.44Å; I330-I467 HydrophobicContact CD1-CG2 3.3Å; I330-I467 HydrophobicContact CG1-CG2 3.83Å; I330-F469 HydrophobicContact CD1-CD1 3.75Å; I330-F469 HydrophobicContact CD1-CE1 3.9Å; I330-F469 HydrophobicContact CD1-CG 4.4Å; I330-F469 HydrophobicContact CG2-CE1 4.18Å
331	Y	91.2	Very high	86.3	Confident	53 Å²	53	54.7 Å²	54.7	21%	0.208	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.5	176.4	-73.9	-97.7	0	0	0	110.7	F318 E320 C321 Q329 M340 I341 I343	F318-Y331 HydrophobicContact CB-CD1 4.48Å; F318-Y331 HydrophobicContact CD1-CD1 4.46Å; F318-Y331 HydrophobicContact CD1-CD2 4.49Å; F318-Y331 HydrophobicContact CD1-CG 4.1Å; E320-Y331 CarbonylContact O-C 3.16Å; E320-Y331 WeakPolarHBondContact O-CA 3.43Å; C321-Y331 HydrophobicContact CB-CD1 3.88Å; C321-Y331 HydrophobicContact CB-CE1 3.48Å; C321-Y331 VanDerWaalsContact CB-CE1 3.48Å; Q329-Y331 HydrophobicContact CB-CD2 4.1Å; Q329-Y331 HydrophobicContact CB-CE2 3.62Å; Q329-Y331 HydrophobicContact CG-CE2 4.47Å; Y331-M340 WeakPolarHBondContact O-CA 3.28Å; Y331-I341 PolarHBondContact N-O 3.43Å; Y331-I341 PolarHBondContact O-N 2.86Å; Y331-I343 HydrophobicContact CD2-CD1 3.67Å; Y331-I343 HydrophobicContact CD2-CG1 4.38Å; Y331-I343 HydrophobicContact CE2-CD1 3.79Å
332	K	92.3	Very high	86.3	Confident	85 Å²	85	52.4 Å²	52.4	37%	0.37	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	144.4	152.1	-63.3	-175.8	-173.6	149.7	0	107.7	D319 E320 I322 M340	D319-K332 WeakPolarHBondContact CA-O 3.31Å; D319-K332 HydrophobicContact CB-CB 4.41Å; D319-K332 PolarHBondContact N-O 3.1Å; E320-K332 PolarHBondContact O-N 3.34Å; E320-K332 IonicContact OE2-NZ 2.78Å; E320-K332 PolarHBondContact OE2-NZ 3.18Å; I322-K332 HydrophobicContact CD1-CD 4.26Å; I322-K332 HydrophobicContact CD1-CG 3.49Å; I322-K332 VanDerWaalsContact CD1-CG 3.49Å; I322-K332 HydrophobicContact CG1-CG 3.9Å; K332-M340 HydrophobicContact CG-SD 4Å
333	G	93.6	Very high	86.4	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-168.8	175.7	0	0	0	0	0	111.8	S317 V339	S317-G333 CarbonylContact O-C 3.48Å; S317-G333 WeakPolarHBondContact O-CA 3.42Å; G333-V339 PolarHBondContact N-O 3.1Å; G333-V339 PolarHBondContact O-N 3.06Å
334	R	94.2	Very high	86.5	Confident	142 Å²	142	50.1 Å²	50.1	54%	0.536	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.6	174.6	-35.5	174.8	-154.9	167.2	13.8	111.6	S317 D319 G337	S317-R334 PolarHBondContact N-O 2.97Å; S317-R334 PolarHBondContact O-N 3.42Å; S317-R334 WeakPolarHBondContact OG-CB 3.33Å; S317-R334 PolarHBondContact OG-N 3.21Å; S317-R334 PolarHBondContact OG-O 3.32Å; S317-R334 VanDerWaalsContact OG-O 3.14Å; D319-R334 IonicContact OD1-CZ 3.58Å; D319-R334 IonicContact OD1-NE 3.41Å; D319-R334 PolarHBondContact OD1-NE 2.96Å; D319-R334 IonicContact OD1-NH2 2.85Å; D319-R334 PolarHBondContact OD1-NH2 3.5Å; D319-R334 WeakPolarHBondContact OD2-CG 3.48Å; D319-R334 IonicContact OD2-CZ 3.98Å; D319-R334 IonicContact OD2-NE 3.15Å; D319-R334 PolarHBondContact OD2-NE 3.23Å; D319-R334 VanDerWaalsContact OD2-NE 3.15Å; D319-R334 IonicContact OD2-NH2 3.86Å; R334-G337 CarbonylContact C-O 3.55Å; R334-G337 WeakPolarHBondContact CA-O 3.29Å; R334-G337 WeakPolarHBondContact CB-O 3.39Å
335	W	92.1	Very high	86.3	Confident	65 Å²	65	49.2 Å²	49.2	25%	0.246	25%	0.251	C	S	.	.	S	Bend	trans	-152.2	104.1	172.6	-177.1	70.2	0	0	0	107.6	I311 L316 G337 V339 M375	I311-W335 HydrophobicContact CD1-CD2 3.82Å; I311-W335 HydrophobicContact CD1-CE3 4.05Å; I311-W335 HydrophobicContact CD1-CG 4.42Å; I311-W335 HydrophobicContact CD1-CH2 4.01Å; I311-W335 HydrophobicContact CD1-CZ2 3.8Å; I311-W335 HydrophobicContact CD1-CZ3 4.14Å; I311-W335 HydrophobicContact CG1-CD2 4.44Å; I311-W335 HydrophobicContact CG1-CH2 4.25Å; I311-W335 HydrophobicContact CG1-CZ2 3.69Å; I311-W335 HydrophobicContact CG2-CG 4.38Å; L316-W335 HydrophobicContact CD2-CB 3.61Å; L316-W335 HydrophobicContact CD2-CG 3.81Å; W335-G337 CarbonylContact C-O 3.51Å; W335-G337 PolarHBondContact N-O 3.08Å; W335-G337 PolarHBondContact O-N 2.7Å; W335-V339 HydrophobicContact CB-CG1 3.99Å; W335-V339 HydrophobicContact CB-CG2 4Å; W335-M375 HydrophobicContact CE3-CB 4.45Å; W335-M375 HydrophobicContact CZ3-CB 4.13Å
336	H	88.5	Confident	86	Confident	180 Å²	180	53.3 Å²	53.3	83%	0.833	27%	0.271	S	S	*	.	S	Bend	trans	47.5	26.6	-169.5	-62.4	-63.7	0	0	0	115.1
337	G	91.1	Very high	85.8	Confident	43 Å²	43	53.2 Å²	53.2	44%	0.443	27%	0.267	S	S	.	.	S	Bend	trans	143.4	177.5	-169.2	0	0	0	0	0	110.7	R334 W335	R334-G337 CarbonylContact C-O 3.55Å; R334-G337 WeakPolarHBondContact CA-O 3.29Å; R334-G337 WeakPolarHBondContact CB-O 3.39Å; W335-G337 CarbonylContact C-O 3.51Å; W335-G337 PolarHBondContact N-O 3.08Å; W335-G337 PolarHBondContact O-N 2.7Å
338	A	93.2	Very high	85.3	Confident	70 Å²	70	58.9 Å²	58.9	58%	0.579	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.1	177.7	0	0	0	0	0	110.7	V390	A338-V390 HydrophobicContact CB-CG2 3.73Å; A338-V390 VanDerWaalsContact O-CG2 3.28Å; A338-V390 WeakPolarHBondContact O-CG2 3.04Å
339	V	93.9	Very high	84.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	166	-177.5	-58.9	0	0	0	0	112.3	G333 W335 I341 M375 V387	G333-V339 PolarHBondContact N-O 3.1Å; G333-V339 PolarHBondContact O-N 3.06Å; W335-V339 HydrophobicContact CB-CG1 3.99Å; W335-V339 HydrophobicContact CB-CG2 4Å; V339-I341 HydrophobicContact CG2-CD1 4.33Å; V339-I341 HydrophobicContact CG2-CG1 3.98Å; V339-M375 HydrophobicContact CB-SD 4.24Å; V339-M375 HydrophobicContact CG1-CE 4.33Å; V339-M375 HydrophobicContact CG1-SD 3.44Å; V339-M375 WeakPolarHBondContact CG1-SD 3.5Å; V339-V387 HydrophobicContact CB-CG1 3.81Å; V339-V387 HydrophobicContact CG1-CG1 4.14Å; V339-V387 HydrophobicContact CG2-CG1 3.9Å
340	M	91.7	Very high	83.7	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.3	172.1	-69.6	-77.6	-61.8	0	0	108.9	I322 I330 Y331 K332 V387 T388 V390 F469	I322-M340 HydrophobicContact CD1-CE 3.29Å; I322-M340 HydrophobicContact CD1-SD 3.38Å; I322-M340 WeakPolarHBondContact CD1-SD 3.26Å; I330-M340 HydrophobicContact CG2-CE 3.49Å; I330-M340 VanDerWaalsContact CG2-CE 3.49Å; Y331-M340 WeakPolarHBondContact O-CA 3.28Å; K332-M340 HydrophobicContact CG-SD 4Å; M340-V387 WeakPolarHBondContact O-CA 3.48Å; M340-T388 PolarHBondContact N-O 2.96Å; M340-T388 PolarHBondContact O-N 3.18Å; M340-V390 HydrophobicContact CG-CG2 4.25Å; M340-F469 HydrophobicContact CE-CE1 3.77Å; M340-F469 HydrophobicContact CE-CZ 3.78Å
341	I	91.3	Very high	82.7	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	112.7	-174	-50.6	169.6	0	0	0	108.6	L316 F318 I330 Y331 V339 I343 A385	L316-I341 HydrophobicContact CB-CD1 4.44Å; L316-I341 HydrophobicContact CD1-CD1 4.38Å; L316-I341 HydrophobicContact CD2-CD1 4.44Å; F318-I341 HydrophobicContact CD1-CD1 3.78Å; F318-I341 HydrophobicContact CE1-CB 4.33Å; F318-I341 HydrophobicContact CE1-CD1 3.71Å; F318-I341 HydrophobicContact CE1-CG2 3.84Å; F318-I341 HydrophobicContact CG-CD1 4.46Å; F318-I341 HydrophobicContact CZ-CD1 4.33Å; I330-I341 WeakPolarHBondContact CA-O 3.44Å; Y331-I341 PolarHBondContact N-O 3.43Å; Y331-I341 PolarHBondContact O-N 2.86Å; V339-I341 HydrophobicContact CG2-CD1 4.33Å; V339-I341 HydrophobicContact CG2-CG1 3.98Å; I341-I343 HydrophobicContact CG2-CG1 4.05Å; I341-A385 HydrophobicContact CG2-CB 3.83Å
342	N	88.7	Confident	81.5	Confident	4 Å²	4	70.3 Å²	70.3	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	100.7	177	-178.4	32.5	0	0	0	109.9	N328 Q329 Y344 A385 V386 I467	N328-N342 WeakPolarHBondContact CB-OD1 3.46Å; Q329-N342 CarbonylContact O-C 3.46Å; Q329-N342 WeakPolarHBondContact O-CA 3.23Å; N342-Y344 WeakPolarHBondContact ND2-CE2 3.23Å; N342-Y344 PolarHBondContact ND2-OH 2.98Å; N342-A385 CarbonylContact O-C 3.53Å; N342-A385 WeakPolarHBondContact O-CA 3.34Å; N342-V386 PolarHBondContact N-O 3.2Å; N342-V386 PolarHBondContact O-N 3.18Å; N342-I467 HydrophobicContact CB-CD1 4.08Å; N342-I467 HydrophobicContact CB-CG1 4.28Å; N342-I467 HydrophobicContact CB-CG2 4.29Å
343	I	88.2	Confident	80.5	Confident	9 Å²	9	69.8 Å²	69.8	5%	0.046	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.5	-178.7	-52.7	176.8	0	0	0	109.5	F318 N328 Q329 Y331 I341 L383 L384 A385	F318-I343 HydrophobicContact CD1-CD1 4.36Å; F318-I343 HydrophobicContact CE1-CD1 3.73Å; F318-I343 HydrophobicContact CE1-CG1 4.39Å; N328-I343 CarbonylContact C-O 3.38Å; N328-I343 WeakPolarHBondContact CA-O 3.49Å; N328-I343 WeakPolarHBondContact CB-O 3.19Å; Q329-I343 HydrophobicContact CB-CB 4.27Å; Q329-I343 PolarHBondContact N-O 2.86Å; Q329-I343 PolarHBondContact O-N 2.83Å; Y331-I343 HydrophobicContact CD2-CD1 3.67Å; Y331-I343 HydrophobicContact CD2-CG1 4.38Å; Y331-I343 HydrophobicContact CE2-CD1 3.79Å; I341-I343 HydrophobicContact CG2-CG1 4.05Å; I343-L383 HydrophobicContact CB-CD1 4.44Å; I343-L383 HydrophobicContact CD1-CD1 3.95Å; I343-L383 HydrophobicContact CG1-CD1 3.99Å; I343-L383 HydrophobicContact CG2-CD1 3.71Å; I343-L384 WeakPolarHBondContact CA-O 3.16Å; I343-A385 HydrophobicContact CG1-CB 4.26Å
344	Y	82.6	Confident	79.4	Confident	32 Å²	32	72.2 Å²	72.2	13%	0.125	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.8	175	-68.3	-109.6	0	0	0	108.7	N328 N342 F356 E359 L384 V386	N328-Y344 WeakPolarHBondContact OD1-CD1 3.32Å; N342-Y344 WeakPolarHBondContact ND2-CE2 3.23Å; N342-Y344 PolarHBondContact ND2-OH 2.98Å; Y344-F356 HydrophobicContact CD1-CD2 4.1Å; Y344-F356 AromaticContact CD2-CD2 3.73Å; Y344-F356 HydrophobicContact CD2-CD2 3.73Å; Y344-F356 AromaticContact CD2-CE2 3.52Å; Y344-F356 HydrophobicContact CD2-CE2 3.52Å; Y344-F356 HydrophobicContact CE1-CD2 4.06Å; Y344-F356 AromaticContact CE2-CD2 3.74Å; Y344-F356 HydrophobicContact CE2-CD2 3.74Å; Y344-F356 AromaticContact CE2-CE2 3.53Å; Y344-F356 HydrophobicContact CE2-CE2 3.53Å; Y344-F356 AromaticContact CG-CD2 3.93Å; Y344-F356 HydrophobicContact CG-CD2 3.93Å; Y344-F356 HydrophobicContact CG-CE2 4.16Å; Y344-F356 AromaticContact CZ-CD2 3.89Å; Y344-E359 PolarHBondContact OH-OE2 3.32Å; Y344-L384 PolarHBondContact N-O 3.17Å; Y344-V386 HydrophobicContact CE2-CB 4.43Å; Y344-V386 HydrophobicContact CE2-CG2 3.9Å
345	K	77.7	Confident	78.1	Confident	71 Å²	71	71.4 Å²	71.4	31%	0.309	35%	0.351	S	S	.	.			trans	-81	-29.5	-174.8	-69.8	-171.7	176.4	178.9	0	113.4	D324 G325 A327 Q329 R347	D324-K345 VanDerWaalsContact OD1-CE 3.28Å; D324-K345 WeakPolarHBondContact OD1-CE 3.38Å; D324-K345 IonicContact OD1-NZ 2.65Å; D324-K345 PolarHBondContact OD1-NZ 2.85Å; D324-K345 IonicContact OD2-NZ 3.91Å; G325-K345 VanDerWaalsContact O-CE 3.24Å; G325-K345 WeakPolarHBondContact O-CE 3.42Å; G325-K345 PolarHBondContact O-NZ 2.75Å; A327-K345 VanDerWaalsContact O-CB 3.3Å; A327-K345 WeakPolarHBondContact O-CB 3.41Å; A327-K345 PolarHBondContact O-N 2.67Å; Q329-K345 HydrophobicContact CG-CD 4.13Å; Q329-K345 HydrophobicContact CG-CG 4.01Å; Q329-K345 VanDerWaalsContact NE2-CE 3.28Å; K345-R347 WeakPolarHBondContact O-CG 3.26Å; K345-R347 PolarHBondContact O-N 3.34Å
346	D	66.9	Low	77.2	Confident	96 Å²	96	68.5 Å²	68.5	51%	0.513	34%	0.34	S	S	.	.			trans	-82.1	101	-177.3	-160.1	-20.1	0	0	0	109.6	N352	D346-N352 PolarHBondContact OD1-ND2 3.4Å; D346-N352 PolarHBondContact OD2-ND2 2.86Å
347	R	62.2	Low	76.6	Confident	124 Å²	124	60.4 Å²	60.4	47%	0.468	30%	0.303	S	S	.	.			trans	-97	-8.8	-154.1	-85.5	176.1	-174.8	-156.6	-5.1	116.5	K345 A382	K345-R347 WeakPolarHBondContact O-CG 3.26Å; K345-R347 PolarHBondContact O-N 3.34Å; R347-A382 PolarHBondContact NH1-O 3.4Å; R347-A382 PolarHBondContact NH2-O 2.76Å; R347-A382 VanDerWaalsContact NH2-O 3.08Å
348	Q	59.4	Low	75.5	Confident	178 Å²	178	62.1 Å²	62.1	83%	0.832	30%	0.3	S	S	*	.	S	Bend	trans	-147.8	4.7	-164.5	-67.1	-160.9	-6.1	0	0	118.8
349	T	64.9	Low	74.4	Confident	70 Å²	70	62 Å²	62	43%	0.429	29%	0.287	S	S	.	.			trans	-91.4	137.7	173	60.5	0	0	0	0	111.7	E351 N352 M353	T349-E351 PolarHBondContact O-N 3.45Å; T349-N352 PolarHBondContact O-N 3.44Å; T349-N352 VanDerWaalsContact O-N 3.11Å; T349-N352 WeakPolarHBondContact OG1-CB 3.5Å; T349-N352 VanDerWaalsContact OG1-CG 3.23Å; T349-N352 PolarHBondContact OG1-ND2 3.07Å; T349-M353 PolarHBondContact O-N 2.86Å
350	K	66.5	Low	73.6	Confident	140 Å²	140	62 Å²	62	61%	0.609	29%	0.287	S	S	*	.	H	α-helix	trans	-51.5	-41	177	-173.4	178.6	178.2	-179.2	0	112.9	N352 M353 D354	K350-N352 PolarHBondContact O-N 3.43Å; K350-M353 WeakPolarHBondContact O-CB 3.22Å; K350-M353 PolarHBondContact O-N 3.34Å; K350-D354 PolarHBondContact O-N 3.36Å
351	E	65.7	Low	72.7	Confident	126 Å²	126	63.5 Å²	63.5	59%	0.589	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-43.6	179	-66.2	175.5	-158.2	0	0	113.2	T349 M353 D354 R355	T349-E351 PolarHBondContact O-N 3.45Å; E351-M353 VanDerWaalsContact C-N 3.32Å; E351-D354 PolarHBondContact O-N 3.18Å; E351-R355 VanDerWaalsContact O-CG 3.31Å; E351-R355 WeakPolarHBondContact O-CG 3.5Å; E351-R355 PolarHBondContact O-N 2.7Å; E351-R355 IonicContact OE2-NH2 2.72Å
352	N	67.3	Low	71.7	Confident	35 Å²	35	65.5 Å²	65.5	19%	0.187	31%	0.31	C	S	.	.	H	α-helix	trans	-68.3	-34.5	178	-72.8	-23.1	0	0	0	111.9	D346 T349 K350 R355 F356	D346-N352 PolarHBondContact OD1-ND2 3.4Å; D346-N352 PolarHBondContact OD2-ND2 2.86Å; T349-N352 PolarHBondContact O-N 3.44Å; T349-N352 VanDerWaalsContact O-N 3.11Å; T349-N352 WeakPolarHBondContact OG1-CB 3.5Å; T349-N352 VanDerWaalsContact OG1-CG 3.23Å; T349-N352 PolarHBondContact OG1-ND2 3.07Å; K350-N352 PolarHBondContact O-N 3.43Å; N352-R355 PolarHBondContact OD1-NH1 3.04Å; N352-R355 VanDerWaalsContact OD1-NH1 3.16Å; N352-F356 VanDerWaalsContact O-CB 3.27Å; N352-F356 WeakPolarHBondContact O-CB 3.4Å; N352-F356 PolarHBondContact O-N 3.21Å
353	M	71.7	Confident	71	Confident	75 Å²	75	66.2 Å²	66.2	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-66.8	-42.9	172.9	-172.9	-174.5	66.5	0	0	111.3	F297 T349 K350 E351 F356 L357	F297-M353 HydrophobicContact CE2-CE 4.46Å; F297-M353 HydrophobicContact CZ-CE 3.83Å; T349-M353 PolarHBondContact O-N 2.86Å; K350-M353 WeakPolarHBondContact O-CB 3.22Å; K350-M353 PolarHBondContact O-N 3.34Å; E351-M353 VanDerWaalsContact C-N 3.32Å; M353-F356 WeakPolarHBondContact O-CB 3.29Å; M353-F356 PolarHBondContact O-N 3.44Å; M353-L357 HydrophobicContact CG-CD1 4.15Å; M353-L357 HydrophobicContact CG-CG 4.42Å; M353-L357 WeakPolarHBondContact O-CB 3.48Å; M353-L357 VanDerWaalsContact O-CG 3.28Å; M353-L357 WeakPolarHBondContact O-CG 3.32Å; M353-L357 PolarHBondContact O-N 3.2Å
354	D	69.1	Low	70.5	Confident	51 Å²	51	67 Å²	67	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-43.2	176.6	-74.6	-28.8	0	0	0	111.1	K350 E351 F356 L357 E358	K350-D354 PolarHBondContact O-N 3.36Å; E351-D354 PolarHBondContact O-N 3.18Å; D354-F356 PolarHBondContact O-N 3.4Å; D354-L357 PolarHBondContact O-N 3.01Å; D354-E358 WeakPolarHBondContact O-CG 3.35Å; D354-E358 PolarHBondContact O-N 3.47Å
355	R	66.9	Low	69.9	Low	125 Å²	125	68.5 Å²	68.5	47%	0.472	33%	0.328	S	S	.	.	H	α-helix	trans	-59.8	-44.9	172.8	-71.6	175	-165.6	154.4	5.4	112	E351 N352 E358 E359	E351-R355 VanDerWaalsContact O-CG 3.31Å; E351-R355 WeakPolarHBondContact O-CG 3.5Å; E351-R355 PolarHBondContact O-N 2.7Å; E351-R355 IonicContact OE2-NH2 2.72Å; N352-R355 PolarHBondContact OD1-NH1 3.04Å; N352-R355 VanDerWaalsContact OD1-NH1 3.16Å; R355-E358 WeakPolarHBondContact O-CB 3.43Å; R355-E358 PolarHBondContact O-N 3.41Å; R355-E359 WeakPolarHBondContact O-CG 3.2Å; R355-E359 PolarHBondContact O-N 3.47Å
356	F	74	Confident	69.7	Low	4 Å²	4	65.5 Å²	65.5	2%	0.018	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-47.8	176.7	175.5	-94.4	0	0	0	111.7	Y344 N352 M353 D354 E358 E359 V360 V377 M379 L384 V386	Y344-F356 HydrophobicContact CD1-CD2 4.1Å; Y344-F356 AromaticContact CD2-CD2 3.73Å; Y344-F356 HydrophobicContact CD2-CD2 3.73Å; Y344-F356 AromaticContact CD2-CE2 3.52Å; Y344-F356 HydrophobicContact CD2-CE2 3.52Å; Y344-F356 HydrophobicContact CE1-CD2 4.06Å; Y344-F356 AromaticContact CE2-CD2 3.74Å; Y344-F356 HydrophobicContact CE2-CD2 3.74Å; Y344-F356 AromaticContact CE2-CE2 3.53Å; Y344-F356 HydrophobicContact CE2-CE2 3.53Å; Y344-F356 AromaticContact CG-CD2 3.93Å; Y344-F356 HydrophobicContact CG-CD2 3.93Å; Y344-F356 HydrophobicContact CG-CE2 4.16Å; Y344-F356 AromaticContact CZ-CD2 3.89Å; N352-F356 VanDerWaalsContact O-CB 3.27Å; N352-F356 WeakPolarHBondContact O-CB 3.4Å; N352-F356 PolarHBondContact O-N 3.21Å; M353-F356 WeakPolarHBondContact O-CB 3.29Å; M353-F356 PolarHBondContact O-N 3.44Å; D354-F356 PolarHBondContact O-N 3.4Å; F356-E358 VanDerWaalsContact C-N 3.29Å; F356-E358 PolarHBondContact O-N 3.04Å; F356-E359 PolarHBondContact O-N 3.13Å; F356-V360 HydrophobicContact CD1-CG2 4.06Å; F356-V360 HydrophobicContact CD2-CG2 4.38Å; F356-V360 HydrophobicContact CE1-CG2 3.69Å; F356-V360 HydrophobicContact CE2-CG2 4.05Å; F356-V360 HydrophobicContact CG-CG2 4.4Å; F356-V360 HydrophobicContact CZ-CG2 3.72Å; F356-V360 VanDerWaalsContact O-CG2 3.3Å; F356-V360 WeakPolarHBondContact O-CG2 3.32Å; F356-V360 PolarHBondContact O-N 3.41Å; F356-V377 HydrophobicContact CE1-CG2 3.63Å; F356-V377 HydrophobicContact CZ-CG2 3.37Å; F356-M379 HydrophobicContact CE1-CG 4.17Å; F356-L384 HydrophobicContact CB-CD2 4.16Å; F356-L384 HydrophobicContact CD1-CD1 3.72Å; F356-L384 HydrophobicContact CD1-CD2 4Å; F356-L384 HydrophobicContact CD1-CG 4.07Å; F356-L384 HydrophobicContact CD2-CD1 4.41Å; F356-L384 HydrophobicContact CD2-CD2 3.75Å; F356-L384 HydrophobicContact CD2-CG 3.88Å; F356-L384 HydrophobicContact CE1-CD1 3.3Å; F356-L384 HydrophobicContact CE1-CD2 4.29Å; F356-L384 HydrophobicContact CE1-CG 3.83Å; F356-L384 HydrophobicContact CE2-CD1 4.04Å; F356-L384 HydrophobicContact CE2-CD2 4.04Å; F356-L384 HydrophobicContact CE2-CG 3.6Å; F356-L384 HydrophobicContact CG-CD1 4.24Å; F356-L384 HydrophobicContact CG-CD2 3.7Å; F356-L384 HydrophobicContact CG-CG 4.07Å; F356-L384 HydrophobicContact CZ-CD1 3.45Å; F356-L384 VanDerWaalsContact CZ-CD1 3.45Å; F356-L384 HydrophobicContact CZ-CD2 4.28Å; F356-L384 HydrophobicContact CZ-CG 3.56Å; F356-V386 HydrophobicContact CE2-CG2 3.68Å; F356-V386 HydrophobicContact CZ-CG2 3.99Å
357	L	76.2	Confident	70.1	Confident	11 Å²	11	67.7 Å²	67.7	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-36.4	178.4	-71.6	173.5	0	0	0	111.8	L303 L306 M353 D354 S361 M379	L303-L357 HydrophobicContact CD2-CD1 4.25Å; L303-L357 HydrophobicContact CD2-CD2 3.9Å; L303-L357 HydrophobicContact CG-CD1 4.48Å; L306-L357 HydrophobicContact CD1-CD2 3.82Å; M353-L357 HydrophobicContact CG-CD1 4.15Å; M353-L357 HydrophobicContact CG-CG 4.42Å; M353-L357 WeakPolarHBondContact O-CB 3.48Å; M353-L357 VanDerWaalsContact O-CG 3.28Å; M353-L357 WeakPolarHBondContact O-CG 3.32Å; M353-L357 PolarHBondContact O-N 3.2Å; D354-L357 PolarHBondContact O-N 3.01Å; L357-S361 WeakPolarHBondContact O-CB 3.39Å; L357-S361 PolarHBondContact O-N 3.47Å; L357-S361 PolarHBondContact O-OG 3.49Å; L357-M379 HydrophobicContact CD2-SD 4.06Å
358	E	68.2	Low	70.8	Confident	79 Å²	79	64.1 Å²	64.1	37%	0.369	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-49.5	172	-77.7	-174	-170	0	0	111.8	D354 R355 F356 V360 S361 V362 R449	D354-E358 WeakPolarHBondContact O-CG 3.35Å; D354-E358 PolarHBondContact O-N 3.47Å; R355-E358 WeakPolarHBondContact O-CB 3.43Å; R355-E358 PolarHBondContact O-N 3.41Å; F356-E358 VanDerWaalsContact C-N 3.29Å; F356-E358 PolarHBondContact O-N 3.04Å; E358-V360 PolarHBondContact O-N 3.34Å; E358-S361 PolarHBondContact O-N 2.95Å; E358-S361 PolarHBondContact O-OG 3.33Å; E358-V362 WeakPolarHBondContact O-CG2 3.39Å; E358-V362 PolarHBondContact O-N 2.92Å; E358-R449 IonicContact OE2-NH1 3.81Å
359	E	69.9	Low	71.8	Confident	68 Å²	68	61 Å²	61	32%	0.318	29%	0.29	S	S	.	.	H	α-helix	trans	-57.6	-49.6	176.8	-74	-177.8	-178.6	0	0	111.3	Y344 R355 F356 S361 V362 L363	Y344-E359 PolarHBondContact OH-OE2 3.32Å; R355-E359 WeakPolarHBondContact O-CG 3.2Å; R355-E359 PolarHBondContact O-N 3.47Å; F356-E359 PolarHBondContact O-N 3.13Å; E359-S361 VanDerWaalsContact C-N 3.35Å; E359-S361 PolarHBondContact O-N 2.83Å; E359-V362 PolarHBondContact O-N 3.21Å; E359-L363 VanDerWaalsContact O-CG 3.32Å; E359-L363 WeakPolarHBondContact O-CG 3.39Å; E359-L363 PolarHBondContact O-N 3.35Å
360	V	77.4	Confident	72.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-40.4	-179.7	176.4	0	0	0	0	111.5	L306 F356 E358 V362 L363 N364 F374 V377 V386	L306-V360 HydrophobicContact CD1-CG1 3.95Å; L306-V360 HydrophobicContact CD2-CG1 3.62Å; L306-V360 HydrophobicContact CG-CG1 4.44Å; F356-V360 HydrophobicContact CD1-CG2 4.06Å; F356-V360 HydrophobicContact CD2-CG2 4.38Å; F356-V360 HydrophobicContact CE1-CG2 3.69Å; F356-V360 HydrophobicContact CE2-CG2 4.05Å; F356-V360 HydrophobicContact CG-CG2 4.4Å; F356-V360 HydrophobicContact CZ-CG2 3.72Å; F356-V360 VanDerWaalsContact O-CG2 3.3Å; F356-V360 WeakPolarHBondContact O-CG2 3.32Å; F356-V360 PolarHBondContact O-N 3.41Å; E358-V360 PolarHBondContact O-N 3.34Å; V360-V362 PolarHBondContact O-N 3.18Å; V360-L363 PolarHBondContact O-N 2.75Å; V360-N364 WeakPolarHBondContact O-CB 3.44Å; V360-N364 PolarHBondContact O-N 3.45Å; V360-F374 HydrophobicContact CG1-CE2 4.26Å; V360-F374 HydrophobicContact CG1-CZ 4.07Å; V360-V377 HydrophobicContact CG1-CB 4.15Å; V360-V377 HydrophobicContact CG1-CG1 4.33Å; V360-V377 HydrophobicContact CG1-CG2 4.15Å; V360-V377 HydrophobicContact CG2-CG2 3.95Å; V360-V386 HydrophobicContact CG2-CG2 3.72Å
361	S	72.2	Confident	73.4	Confident	36 Å²	36	51.6 Å²	51.6	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-61.7	-34.3	178.3	74.7	0	0	0	0	112.7	L357 E358 E359 N365	L357-S361 WeakPolarHBondContact O-CB 3.39Å; L357-S361 PolarHBondContact O-N 3.47Å; L357-S361 PolarHBondContact O-OG 3.49Å; E358-S361 PolarHBondContact O-N 2.95Å; E358-S361 PolarHBondContact O-OG 3.33Å; E359-S361 VanDerWaalsContact C-N 3.35Å; E359-S361 PolarHBondContact O-N 2.83Å; S361-N365 PolarHBondContact O-ND2 3.16Å
362	V	69.7	Low	74.3	Confident	41 Å²	41	45.9 Å²	45.9	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-71.1	-47	174.8	172.9	0	0	0	0	109.9	E358 E359 V360 N364 N365 I366 I446	E358-V362 WeakPolarHBondContact O-CG2 3.39Å; E358-V362 PolarHBondContact O-N 2.92Å; E359-V362 PolarHBondContact O-N 3.21Å; V360-V362 PolarHBondContact O-N 3.18Å; V362-N364 PolarHBondContact O-N 3.35Å; V362-N365 PolarHBondContact O-N 3.29Å; V362-I366 HydrophobicContact CG1-CD1 3.87Å; V362-I366 WeakPolarHBondContact O-CD1 3.48Å; V362-I366 VanDerWaalsContact O-CG1 3.31Å; V362-I366 WeakPolarHBondContact O-CG1 3.45Å; V362-I446 HydrophobicContact CG1-CG2 3.81Å
363	L	74.8	Confident	75.2	Confident	20 Å²	20	47.9 Å²	47.9	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-39.3	-179	-65.8	178.1	0	0	0	113.4	E359 V360 N365 I366 F374 V386 T466	E359-L363 VanDerWaalsContact O-CG 3.32Å; E359-L363 WeakPolarHBondContact O-CG 3.39Å; E359-L363 PolarHBondContact O-N 3.35Å; V360-L363 PolarHBondContact O-N 2.75Å; L363-N365 PolarHBondContact O-N 3.45Å; L363-N365 VanDerWaalsContact O-N 3.16Å; L363-I366 PolarHBondContact O-N 2.94Å; L363-I366 VanDerWaalsContact O-N 3.08Å; L363-F374 HydrophobicContact CB-CB 4.3Å; L363-F374 HydrophobicContact CB-CD2 3.84Å; L363-F374 HydrophobicContact CB-CE2 4.42Å; L363-F374 HydrophobicContact CB-CG 4.14Å; L363-F374 HydrophobicContact CD1-CD2 4.39Å; L363-V386 HydrophobicContact CD1-CG1 3.99Å; L363-T466 VanDerWaalsContact CD2-CB 3.49Å; L363-T466 HydrophobicContact CD2-CG2 3.3Å; L363-T466 WeakPolarHBondContact CD2-OG1 3.45Å
364	N	77.1	Confident	76	Confident	26 Å²	26	45 Å²	45	14%	0.139	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-29.3	-179.9	-169.4	23.5	0	0	0	112.4	L306 W309 V360 V362 F374	L306-N364 HydrophobicContact CD2-CB 4.28Å; W309-N364 PolarHBondContact NE1-OD1 3.09Å; W309-N364 VanDerWaalsContact NE1-OD1 3.14Å; V360-N364 WeakPolarHBondContact O-CB 3.44Å; V360-N364 PolarHBondContact O-N 3.45Å; V362-N364 PolarHBondContact O-N 3.35Å; N364-F374 HydrophobicContact CB-CE1 4.19Å
365	N	70.2	Confident	76.9	Confident	63 Å²	63	44.8 Å²	44.8	34%	0.337	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	11.9	-178.8	-75	-67.7	0	0	0	114.1	S361 V362 L363 Y440 R444 I446	S361-N365 PolarHBondContact O-ND2 3.16Å; V362-N365 PolarHBondContact O-N 3.29Å; L363-N365 PolarHBondContact O-N 3.45Å; L363-N365 VanDerWaalsContact O-N 3.16Å; N365-Y440 WeakPolarHBondContact O-CE1 3.33Å; N365-Y440 PolarHBondContact O-OH 2.93Å; N365-R444 PolarHBondContact OD1-NH1 2.96Å; N365-R444 VanDerWaalsContact OD1-NH1 3.09Å; N365-I446 HydrophobicContact CB-CD1 4.5Å
366	I	72.4	Confident	78	Confident	8 Å²	8	38.8 Å²	38.8	4%	0.041	19%	0.189	C	C	.	.			trans	-120	118.9	-175	-61.2	166.4	0	0	0	110.8	V362 L363 I371 M441 I446	V362-I366 HydrophobicContact CG1-CD1 3.87Å; V362-I366 WeakPolarHBondContact O-CD1 3.48Å; V362-I366 VanDerWaalsContact O-CG1 3.31Å; V362-I366 WeakPolarHBondContact O-CG1 3.45Å; L363-I366 PolarHBondContact O-N 2.94Å; L363-I366 VanDerWaalsContact O-N 3.08Å; I366-I371 HydrophobicContact CG2-CB 4.2Å; I366-I371 HydrophobicContact CG2-CD1 3.43Å; I366-I371 VanDerWaalsContact CG2-CD1 3.43Å; I366-I371 HydrophobicContact CG2-CG1 4.39Å; I366-I371 HydrophobicContact CG2-CG2 3.86Å; I366-M441 HydrophobicContact CG2-SD 4.04Å; I366-I446 HydrophobicContact CD1-CD1 4.21Å; I366-I446 HydrophobicContact CD1-CG2 3.82Å; I366-I446 HydrophobicContact CG1-CD1 3.59Å; I366-I446 HydrophobicContact CG1-CG2 4.35Å
367	R	76.8	Confident	78.7	Confident	142 Å²	142	38.6 Å²	38.6	54%	0.536	19%	0.188	S	C	.	.			trans	-137.5	112.3	169.7	-64.8	-172.8	-174.2	173.8	6.6	109.2	L373 Y440	R367-L373 HydrophobicContact CG-CD1 4.29Å; R367-Y440 HydrophobicContact CB-CE1 4.49Å
368	H	76	Confident	79.4	Confident	48 Å²	48	38.1 Å²	38.1	22%	0.222	19%	0.185	C	C	.	.			trans	-153	145.5	-178.2	-171.1	-95.7	0	0	0	111.1	N370 I371 M441	H368-N370 PolarHBondContact CE1-OD1 2.64Å; H368-N370 PolarHBondContact ND1-N 3.04Å; H368-N370 PolarHBondContact O-N 2.97Å; H368-N370 VanDerWaalsContact O-N 3.16Å; H368-I371 HydrophobicContact CB-CB 4.21Å; H368-I371 HydrophobicContact CB-CD1 4.08Å; H368-I371 HydrophobicContact CB-CG1 4.06Å; H368-I371 PolarHBondContact O-N 3.18Å; H368-M441 HydrophobicContact CB-CE 3.48Å; H368-M441 VanDerWaalsContact CB-CE 3.48Å; H368-M441 HydrophobicContact CB-SD 4.44Å; H368-M441 WeakPolarHBondContact CD2-CE 3.43Å
369	E	81.2	Confident	80.2	Confident	113 Å²	113	37 Å²	37	53%	0.528	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-27.5	-177.2	54	162.9	-174.4	0	0	114.1	K461	E369-K461 IonicContact OE2-NZ 3.83Å; E369-K461 PolarHBondContact OE2-NZ 3.24Å
370	N	81.5	Confident	80.8	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.016	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	14.8	177.9	-60.8	95.9	0	0	0	113.6	H368 V422 V462 K463 I464	H368-N370 PolarHBondContact CE1-OD1 2.64Å; H368-N370 PolarHBondContact ND1-N 3.04Å; H368-N370 PolarHBondContact O-N 2.97Å; H368-N370 VanDerWaalsContact O-N 3.16Å; N370-V422 HydrophobicContact CB-CB 4.34Å; N370-V422 HydrophobicContact CB-CG1 4.49Å; N370-V422 HydrophobicContact CB-CG2 3.21Å; N370-V462 WeakPolarHBondContact CA-O 3.49Å; N370-V462 WeakPolarHBondContact CB-O 3.36Å; N370-V462 PolarHBondContact ND2-O 2.73Å; N370-K463 CarbonylContact O-C 3.54Å; N370-K463 WeakPolarHBondContact O-CA 3.09Å; N370-I464 PolarHBondContact O-N 2.99Å
371	I	82.5	Confident	80.8	Confident	10 Å²	10	42 Å²	42	5%	0.051	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-119.8	141.4	169.8	-60.4	177.8	0	0	0	107.8	I366 H368 L373 V422 M441	I366-I371 HydrophobicContact CG2-CB 4.2Å; I366-I371 HydrophobicContact CG2-CD1 3.43Å; I366-I371 VanDerWaalsContact CG2-CD1 3.43Å; I366-I371 HydrophobicContact CG2-CG1 4.39Å; I366-I371 HydrophobicContact CG2-CG2 3.86Å; H368-I371 HydrophobicContact CB-CB 4.21Å; H368-I371 HydrophobicContact CB-CD1 4.08Å; H368-I371 HydrophobicContact CB-CG1 4.06Å; H368-I371 PolarHBondContact O-N 3.18Å; I371-L373 PolarHBondContact O-N 3.08Å; I371-V422 HydrophobicContact CD1-CG1 3.48Å; I371-V422 VanDerWaalsContact CD1-CG1 3.48Å; I371-V422 HydrophobicContact CG1-CG1 3.25Å; I371-M441 HydrophobicContact CD1-CE 3.85Å; I371-M441 HydrophobicContact CD1-SD 3.29Å; I371-M441 WeakPolarHBondContact CD1-SD 2.88Å
372	V	85.4	Confident	81.2	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.03	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-59.8	129.5	174.5	177.5	0	0	0	0	109.3	F374 T388 S389 Q391 K463 I464	V372-F374 PolarHBondContact O-N 2.87Å; V372-T388 HydrophobicContact CG1-CG2 4.44Å; V372-S389 WeakPolarHBondContact CG1-OG 3.19Å; V372-Q391 HydrophobicContact CG1-CG 4.16Å; V372-Q391 HydrophobicContact CG2-CG 3.68Å; V372-K463 HydrophobicContact CG2-CB 4.28Å; V372-I464 WeakPolarHBondContact CG2-O 3.4Å; V372-I464 PolarHBondContact N-O 3.44Å
373	L	86.8	Confident	81.9	Confident	78 Å²	78	42.2 Å²	42.2	41%	0.408	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-71.9	122.2	-174.5	178.6	65.6	0	0	0	110	R367 I371 T388 S389	R367-L373 HydrophobicContact CG-CD1 4.29Å; I371-L373 PolarHBondContact O-N 3.08Å; L373-T388 CarbonylContact O-C 3.44Å; L373-T388 VanDerWaalsContact O-CA 3.26Å; L373-T388 WeakPolarHBondContact O-CA 3.44Å; L373-T388 WeakPolarHBondContact O-CB 3.39Å; L373-S389 PolarHBondContact N-OG 3.34Å; L373-S389 VanDerWaalsContact N-OG 3.17Å; L373-S389 PolarHBondContact O-N 3.06Å
374	F	87	Confident	82.5	Confident	13 Å²	13	42.8 Å²	42.8	6%	0.057	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	126.9	165.5	174.8	-99.5	0	0	0	109.4	W309 V360 L363 N364 V372 G376 V377 V386	W309-F374 HydrophobicContact CB-CE1 4.1Å; W309-F374 HydrophobicContact CB-CZ 4.43Å; W309-F374 HydrophobicContact CD2-CE1 4.19Å; W309-F374 HydrophobicContact CE3-CE1 4.17Å; W309-F374 HydrophobicContact CG-CE1 4.14Å; V360-F374 HydrophobicContact CG1-CE2 4.26Å; V360-F374 HydrophobicContact CG1-CZ 4.07Å; L363-F374 HydrophobicContact CB-CB 4.3Å; L363-F374 HydrophobicContact CB-CD2 3.84Å; L363-F374 HydrophobicContact CB-CE2 4.42Å; L363-F374 HydrophobicContact CB-CG 4.14Å; L363-F374 HydrophobicContact CD1-CD2 4.39Å; N364-F374 HydrophobicContact CB-CE1 4.19Å; V372-F374 PolarHBondContact O-N 2.87Å; F374-G376 VanDerWaalsContact CE2-O 3.29Å; F374-G376 WeakPolarHBondContact CE2-O 3.39Å; F374-V377 HydrophobicContact CZ-CB 4.26Å; F374-V386 HydrophobicContact CD2-CG1 3.96Å; F374-V386 HydrophobicContact CE2-CG1 3.94Å
375	M	88.5	Confident	83.1	Confident	47 Å²	47	41.5 Å²	41.5	23%	0.232	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-36.2	-178.1	-70.9	177.4	159.8	0	0	112.1	W335 V339 V387 T388	W335-M375 HydrophobicContact CE3-CB 4.45Å; W335-M375 HydrophobicContact CZ3-CB 4.13Å; V339-M375 HydrophobicContact CB-SD 4.24Å; V339-M375 HydrophobicContact CG1-CE 4.33Å; V339-M375 HydrophobicContact CG1-SD 3.44Å; V339-M375 WeakPolarHBondContact CG1-SD 3.5Å; M375-V387 HydrophobicContact CB-CB 4.5Å; M375-V387 HydrophobicContact CB-CG1 4.19Å; M375-V387 PolarHBondContact N-O 3.49Å; M375-T388 VanDerWaalsContact SD-C 3.55Å
376	G	89.4	Confident	83.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.8	-174.9	177.6	0	0	0	0	0	112.6	W309 F374 V387	W309-G376 CarbonylContact O-C 3.46Å; W309-G376 WeakPolarHBondContact O-CA 3.38Å; F374-G376 VanDerWaalsContact CE2-O 3.29Å; F374-G376 WeakPolarHBondContact CE2-O 3.39Å; G376-V387 PolarHBondContact N-O 2.54Å; G376-V387 PolarHBondContact O-N 3.28Å
377	V	90.6	Very high	84.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	141.3	-176.3	66.7	0	0	0	0	109.8	W309 T310 I311 F356 V360 F374 M379 A385	W309-V377 PolarHBondContact O-N 3.21Å; T310-V377 CarbonylContact C-O 3.52Å; T310-V377 VanDerWaalsContact CA-O 3.26Å; T310-V377 WeakPolarHBondContact CA-O 3.31Å; I311-V377 PolarHBondContact N-O 3.14Å; F356-V377 HydrophobicContact CE1-CG2 3.63Å; F356-V377 HydrophobicContact CZ-CG2 3.37Å; V360-V377 HydrophobicContact CG1-CB 4.15Å; V360-V377 HydrophobicContact CG1-CG1 4.33Å; V360-V377 HydrophobicContact CG1-CG2 4.15Å; V360-V377 HydrophobicContact CG2-CG2 3.95Å; F374-V377 HydrophobicContact CZ-CB 4.26Å; V377-M379 HydrophobicContact CG1-CE 3.97Å; V377-M379 HydrophobicContact CG1-CG 4.12Å; V377-M379 HydrophobicContact CG1-SD 4.2Å; V377-M379 HydrophobicContact CG2-CG 3.8Å; V377-M379 HydrophobicContact CG2-SD 4.44Å; V377-A385 CarbonylContact C-O 3.39Å; V377-A385 WeakPolarHBondContact CA-O 3.1Å; V377-A385 WeakPolarHBondContact CG2-O 3.49Å
378	V	89.8	Confident	85.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.7	168.1	-170.5	0	0	0	0	107.3	I311 L316 E380 L383 L384 A385 V387	I311-V378 HydrophobicContact CB-CG2 4.28Å; L316-V378 HydrophobicContact CD1-CG2 3.4Å; V378-E380 HydrophobicContact CG1-CB 4.33Å; V378-E380 HydrophobicContact CG1-CG 4.09Å; V378-L383 HydrophobicContact CG1-CB 4.31Å; V378-L383 HydrophobicContact CG1-CD2 4.02Å; V378-L383 HydrophobicContact CG1-CG 4.14Å; V378-L383 WeakPolarHBondContact CG1-O 3.47Å; V378-L384 WeakPolarHBondContact O-CA 3.41Å; V378-A385 HydrophobicContact CB-CB 4.14Å; V378-A385 HydrophobicContact CG2-CB 4.22Å; V378-A385 PolarHBondContact N-O 3.41Å; V378-A385 PolarHBondContact O-N 3.35Å; V378-V387 HydrophobicContact CG2-CG2 4.37Å
379	M	84.4	Confident	86.2	Confident	56 Å²	56	30 Å²	30	28%	0.276	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	58.8	-178.3	-63.7	-173.5	-67.5	0	0	109.6	L303 L306 T310 F356 L357 V377 L384	L303-M379 HydrophobicContact CD2-SD 4.42Å; L306-M379 HydrophobicContact CB-CE 4.02Å; L306-M379 HydrophobicContact CD1-SD 4.45Å; T310-M379 HydrophobicContact CG2-CE 4.41Å; T310-M379 WeakPolarHBondContact OG1-CE 3.23Å; F356-M379 HydrophobicContact CE1-CG 4.17Å; L357-M379 HydrophobicContact CD2-SD 4.06Å; V377-M379 HydrophobicContact CG1-CE 3.97Å; V377-M379 HydrophobicContact CG1-CG 4.12Å; V377-M379 HydrophobicContact CG1-SD 4.2Å; V377-M379 HydrophobicContact CG2-CG 3.8Å; V377-M379 HydrophobicContact CG2-SD 4.44Å; M379-L384 HydrophobicContact CG-CD1 4.33Å
380	E	84	Confident	86.5	Confident	58 Å²	58	26.2 Å²	26.2	27%	0.271	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.3	177.6	-68.3	176.1	-160.3	0	0	110	S313 V378 A382 L383	S313-E380 WeakPolarHBondContact CB-OE2 3.28Å; S313-E380 PolarHBondContact N-OE1 2.7Å; S313-E380 VanDerWaalsContact OG-CD 3.31Å; S313-E380 PolarHBondContact OG-OE1 3.44Å; S313-E380 PolarHBondContact OG-OE2 2.65Å; V378-E380 HydrophobicContact CG1-CB 4.33Å; V378-E380 HydrophobicContact CG1-CG 4.09Å; E380-A382 PolarHBondContact O-N 2.88Å; E380-L383 PolarHBondContact N-O 3.33Å; E380-L383 CarbonylContact O-C 3.55Å; E380-L383 PolarHBondContact O-N 2.97Å
381	P	76.9	Confident	86.7	Confident	115 Å²	115	27 Å²	27	75%	0.747	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.6	179.1	-26.8	34.5	0	0	0	113.7
382	A	80.2	Confident	86.6	Confident	66 Å²	66	32 Å²	32	55%	0.545	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-19	177.9	0	0	0	0	0	113.6	R347 E380	R347-A382 PolarHBondContact NH1-O 3.4Å; R347-A382 PolarHBondContact NH2-O 2.76Å; R347-A382 VanDerWaalsContact NH2-O 3.08Å; E380-A382 PolarHBondContact O-N 2.88Å
383	L	84.7	Confident	86.6	Confident	16 Å²	16	33.8 Å²	33.8	8%	0.084	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	109.8	-173.2	-175.6	66.7	0	0	0	111.3	F318 I343 V378 E380 A385	F318-L383 HydrophobicContact CZ-CD2 3.79Å; I343-L383 HydrophobicContact CB-CD1 4.44Å; I343-L383 HydrophobicContact CD1-CD1 3.95Å; I343-L383 HydrophobicContact CG1-CD1 3.99Å; I343-L383 HydrophobicContact CG2-CD1 3.71Å; V378-L383 HydrophobicContact CG1-CB 4.31Å; V378-L383 HydrophobicContact CG1-CD2 4.02Å; V378-L383 HydrophobicContact CG1-CG 4.14Å; V378-L383 WeakPolarHBondContact CG1-O 3.47Å; E380-L383 PolarHBondContact N-O 3.33Å; E380-L383 CarbonylContact O-C 3.55Å; E380-L383 PolarHBondContact O-N 2.97Å; L383-A385 HydrophobicContact CD1-CB 4.43Å; L383-A385 HydrophobicContact CG-CB 4.31Å
384	L	87.4	Confident	86.5	Confident	31 Å²	31	31.9 Å²	31.9	16%	0.162	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.7	168.7	-167.7	66.9	0	0	0	108.5	I343 Y344 F356 V378 M379	I343-L384 WeakPolarHBondContact CA-O 3.16Å; Y344-L384 PolarHBondContact N-O 3.17Å; F356-L384 HydrophobicContact CB-CD2 4.16Å; F356-L384 HydrophobicContact CD1-CD1 3.72Å; F356-L384 HydrophobicContact CD1-CD2 4Å; F356-L384 HydrophobicContact CD1-CG 4.07Å; F356-L384 HydrophobicContact CD2-CD1 4.41Å; F356-L384 HydrophobicContact CD2-CD2 3.75Å; F356-L384 HydrophobicContact CD2-CG 3.88Å; F356-L384 HydrophobicContact CE1-CD1 3.3Å; F356-L384 HydrophobicContact CE1-CD2 4.29Å; F356-L384 HydrophobicContact CE1-CG 3.83Å; F356-L384 HydrophobicContact CE2-CD1 4.04Å; F356-L384 HydrophobicContact CE2-CD2 4.04Å; F356-L384 HydrophobicContact CE2-CG 3.6Å; F356-L384 HydrophobicContact CG-CD1 4.24Å; F356-L384 HydrophobicContact CG-CD2 3.7Å; F356-L384 HydrophobicContact CG-CG 4.07Å; F356-L384 HydrophobicContact CZ-CD1 3.45Å; F356-L384 VanDerWaalsContact CZ-CD1 3.45Å; F356-L384 HydrophobicContact CZ-CD2 4.28Å; F356-L384 HydrophobicContact CZ-CG 3.56Å; V378-L384 WeakPolarHBondContact O-CA 3.41Å; M379-L384 HydrophobicContact CG-CD1 4.33Å
385	A	89.1	Confident	86.5	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148.7	-175.4	0	0	0	0	0	113.8	I341 N342 I343 V377 V378 L383	I341-A385 HydrophobicContact CG2-CB 3.83Å; N342-A385 CarbonylContact O-C 3.53Å; N342-A385 WeakPolarHBondContact O-CA 3.34Å; I343-A385 HydrophobicContact CG1-CB 4.26Å; V377-A385 CarbonylContact C-O 3.39Å; V377-A385 WeakPolarHBondContact CA-O 3.1Å; V377-A385 WeakPolarHBondContact CG2-O 3.49Å; V378-A385 HydrophobicContact CB-CB 4.14Å; V378-A385 HydrophobicContact CG2-CB 4.22Å; V378-A385 PolarHBondContact N-O 3.41Å; V378-A385 PolarHBondContact O-N 3.35Å; L383-A385 HydrophobicContact CD1-CB 4.43Å; L383-A385 HydrophobicContact CG-CB 4.31Å
386	V	88.2	Confident	86.5	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.9	169.2	174.7	0	0	0	0	109	N342 Y344 F356 V360 L363 F374 T388	N342-V386 PolarHBondContact N-O 3.2Å; N342-V386 PolarHBondContact O-N 3.18Å; Y344-V386 HydrophobicContact CE2-CB 4.43Å; Y344-V386 HydrophobicContact CE2-CG2 3.9Å; F356-V386 HydrophobicContact CE2-CG2 3.68Å; F356-V386 HydrophobicContact CZ-CG2 3.99Å; V360-V386 HydrophobicContact CG2-CG2 3.72Å; L363-V386 HydrophobicContact CD1-CG1 3.99Å; F374-V386 HydrophobicContact CD2-CG1 3.96Å; F374-V386 HydrophobicContact CE2-CG1 3.94Å; V386-T388 HydrophobicContact CG1-CG2 4.05Å
387	V	91	Very high	86.4	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.7	-179.1	-173	0	0	0	0	109.4	I311 L316 V339 M340 M375 G376 V378	I311-V387 HydrophobicContact CD1-CB 3.92Å; I311-V387 HydrophobicContact CD1-CG1 4.26Å; I311-V387 HydrophobicContact CD1-CG2 3.87Å; L316-V387 HydrophobicContact CD1-CG2 4.15Å; L316-V387 HydrophobicContact CD2-CG2 4.27Å; V339-V387 HydrophobicContact CB-CG1 3.81Å; V339-V387 HydrophobicContact CG1-CG1 4.14Å; V339-V387 HydrophobicContact CG2-CG1 3.9Å; M340-V387 WeakPolarHBondContact O-CA 3.48Å; M375-V387 HydrophobicContact CB-CB 4.5Å; M375-V387 HydrophobicContact CB-CG1 4.19Å; M375-V387 PolarHBondContact N-O 3.49Å; G376-V387 PolarHBondContact N-O 2.54Å; G376-V387 PolarHBondContact O-N 3.28Å; V378-V387 HydrophobicContact CG2-CG2 4.37Å
388	T	90.3	Very high	86.2	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	164.3	-178.5	63.7	0	0	0	0	112.2	M340 V372 L373 M375 V386 I467	M340-T388 PolarHBondContact N-O 2.96Å; M340-T388 PolarHBondContact O-N 3.18Å; V372-T388 HydrophobicContact CG1-CG2 4.44Å; L373-T388 CarbonylContact O-C 3.44Å; L373-T388 VanDerWaalsContact O-CA 3.26Å; L373-T388 WeakPolarHBondContact O-CA 3.44Å; L373-T388 WeakPolarHBondContact O-CB 3.39Å; M375-T388 VanDerWaalsContact SD-C 3.55Å; V386-T388 HydrophobicContact CG1-CG2 4.05Å; T388-I467 HydrophobicContact CG2-CD1 4.2Å; T388-I467 WeakPolarHBondContact OG1-CD1 3.49Å
389	S	90.9	Very high	86.1	Confident	18 Å²	18	34.6 Å²	34.6	13%	0.126	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	145.6	173.8	63.4	0	0	0	0	112.1	V372 L373 Q391	V372-S389 WeakPolarHBondContact CG1-OG 3.19Å; L373-S389 PolarHBondContact N-OG 3.34Å; L373-S389 VanDerWaalsContact N-OG 3.17Å; L373-S389 PolarHBondContact O-N 3.06Å; S389-Q391 PolarHBondContact O-N 2.76Å
390	V	88.6	Confident	86.3	Confident	32 Å²	32	32.4 Å²	32.4	19%	0.194	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-57.6	139.8	172.5	174.6	0	0	0	0	111.6	A338 M340 N392	A338-V390 HydrophobicContact CB-CG2 3.73Å; A338-V390 VanDerWaalsContact O-CG2 3.28Å; A338-V390 WeakPolarHBondContact O-CG2 3.04Å; M340-V390 HydrophobicContact CG-CG2 4.25Å; V390-N392 WeakPolarHBondContact CG1-OD1 3.4Å
391	Q	84.8	Confident	86.3	Confident	19 Å²	19	32.3 Å²	32.3	9%	0.089	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-103.7	119.4	176.5	-62	164.6	28	0	0	108.3	V372 S389 M457 E459 S465	V372-Q391 HydrophobicContact CG1-CG 4.16Å; V372-Q391 HydrophobicContact CG2-CG 3.68Å; S389-Q391 PolarHBondContact O-N 2.76Å; Q391-M457 HydrophobicContact CB-CE 4.14Å; Q391-M457 HydrophobicContact CB-CG 4.3Å; Q391-M457 HydrophobicContact CG-CG 4.35Å; Q391-M457 VanDerWaalsContact OE1-CG 3.3Å; Q391-E459 VanDerWaalsContact CA-OE1 3.23Å; Q391-E459 WeakPolarHBondContact CA-OE1 3.1Å; Q391-S465 PolarHBondContact NE2-OG 2.98Å
392	N	81.3	Confident	86.6	Confident	116 Å²	116	31.3 Å²	31.3	62%	0.62	19%	0.187	S	C	*	.			trans	-107.1	85.1	-177	-68.7	-40.5	0	0	0	109	V390 E459	V390-N392 WeakPolarHBondContact CG1-OD1 3.4Å; N392-E459 PolarHBondContact N-OE1 3.15Å; N392-E459 VanDerWaalsContact O-CB 3.27Å; N392-E459 WeakPolarHBondContact O-CB 3.27Å; N392-E459 WeakPolarHBondContact O-CG 3.49Å
393	G	83.7	Confident	86.9	Confident	43 Å²	43	34.8 Å²	34.8	44%	0.443	19%	0.19	S	C	.	.	S	Bend	trans	164.9	179.3	-178.9	0	0	0	0	0	112.3	M457 L458	G393-M457 WeakPolarHBondContact O-CE 3.45Å; G393-L458 WeakPolarHBondContact CA-O 3.46Å
394	D	85.1	Confident	86.8	Confident	38 Å²	38	36.3 Å²	36.3	20%	0.203	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	150	175.8	-153	2.8	0	0	0	110.7	N398 K403 L458	D394-N398 WeakPolarHBondContact OD1-CB 3.26Å; D394-N398 PolarHBondContact OD1-ND2 3.38Å; D394-N398 PolarHBondContact OD2-ND2 3.03Å; D394-K403 WeakPolarHBondContact OD2-CD 3.31Å; D394-K403 WeakPolarHBondContact OD2-CE 3.44Å; D394-K403 IonicContact OD2-NZ 3.53Å; D394-K403 PolarHBondContact OD2-NZ 3Å; D394-L458 WeakPolarHBondContact O-CB 3.29Å; D394-L458 PolarHBondContact O-N 3.32Å
395	S	88.1	Confident	86.6	Confident	16 Å²	16	39.5 Å²	39.5	11%	0.112	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	148.4	172.5	65.7	0	0	0	0	110.2	Y397 N398 S399 K454 I456	S395-Y397 PolarHBondContact O-N 2.68Å; S395-N398 PolarHBondContact O-N 3.21Å; S395-N398 WeakPolarHBondContact OG-CB 3.48Å; S395-N398 PolarHBondContact OG-N 3.46Å; S395-S399 PolarHBondContact O-N 3.35Å; S395-K454 WeakPolarHBondContact CB-O 3.28Å; S395-I456 CarbonylContact C-O 3.53Å; S395-I456 VanDerWaalsContact CA-O 3.31Å; S395-I456 WeakPolarHBondContact CA-O 3.44Å
396	L	88.7	Confident	86.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-36.7	175.1	177.8	64.4	0	0	0	110.5	S399 L400 S453 I456 L458 I525 L529	L396-S399 PolarHBondContact O-N 2.81Å; L396-L400 HydrophobicContact CD1-CD1 3.71Å; L396-L400 HydrophobicContact CD1-CD2 4.44Å; L396-L400 HydrophobicContact CD1-CG 3.83Å; L396-L400 HydrophobicContact CD2-CD1 4.42Å; L396-L400 HydrophobicContact CG-CD1 3.79Å; L396-L400 HydrophobicContact CG-CG 4.27Å; L396-L400 WeakPolarHBondContact O-CB 3.16Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.49Å; L396-L400 PolarHBondContact O-N 3.35Å; L396-S453 WeakPolarHBondContact CB-O 3.45Å; L396-S453 PolarHBondContact N-O 3.16Å; L396-I456 HydrophobicContact CB-CB 3.97Å; L396-I456 HydrophobicContact CB-CG2 4.04Å; L396-I456 HydrophobicContact CD2-CB 4.46Å; L396-I456 HydrophobicContact CD2-CD1 4.11Å; L396-I456 HydrophobicContact CD2-CG2 4.34Å; L396-I456 PolarHBondContact N-O 2.75Å; L396-L458 HydrophobicContact CB-CD2 4.45Å; L396-L458 HydrophobicContact CB-CG 4.47Å; L396-L458 HydrophobicContact CD1-CD1 4.09Å; L396-L458 HydrophobicContact CD1-CD2 4.23Å; L396-I525 HydrophobicContact CD2-CG2 4.07Å; L396-L529 HydrophobicContact CD1-CD1 3.69Å; L396-L529 HydrophobicContact CD2-CD1 4.36Å
397	Y	87.5	Confident	86	Confident	57 Å²	57	47.3 Å²	47.3	22%	0.224	27%	0.27	C	S	.	.	H	α-helix	trans	-57.2	-50.4	173.1	177.8	-93.5	0	0	0	112.7	S395 L400 H401 V402 S453 K454 F534	S395-Y397 PolarHBondContact O-N 2.68Å; Y397-L400 PolarHBondContact O-N 3.26Å; Y397-H401 AromaticContact CD2-CD2 3.53Å; Y397-H401 HydrophobicContact CE2-CB 4.33Å; Y397-H401 AromaticContact CE2-CD2 3.78Å; Y397-H401 WeakPolarHBondContact O-CB 3.35Å; Y397-H401 PolarHBondContact O-N 3.39Å; Y397-V402 HydrophobicContact CE1-CG2 4.12Å; Y397-S453 PolarHBondContact N-O 2.72Å; Y397-K454 HydrophobicContact CD1-CG 4.27Å; Y397-K454 HydrophobicContact CD2-CG 4.11Å; Y397-K454 HydrophobicContact CG-CG 3.75Å; Y397-F534 HydrophobicContact CD2-CZ 4.01Å; Y397-F534 HydrophobicContact CE2-CE2 4.04Å; Y397-F534 AromaticContact CE2-CZ 3.73Å; Y397-F534 HydrophobicContact CE2-CZ 3.73Å
398	N	86.3	Confident	85.7	Confident	44 Å²	44	50.3 Å²	50.3	24%	0.235	29%	0.291	C	S	.	.	I	π-helix	trans	-68	-40.1	-177.7	-162.5	40.1	0	0	0	111.1	D394 S395 V402 K403	D394-N398 WeakPolarHBondContact OD1-CB 3.26Å; D394-N398 PolarHBondContact OD1-ND2 3.38Å; D394-N398 PolarHBondContact OD2-ND2 3.03Å; S395-N398 PolarHBondContact O-N 3.21Å; S395-N398 WeakPolarHBondContact OG-CB 3.48Å; S395-N398 PolarHBondContact OG-N 3.46Å; N398-V402 WeakPolarHBondContact O-CB 3.49Å; N398-V402 PolarHBondContact O-N 3.44Å; N398-V402 WeakPolarHBondContact OD1-CB 3.14Å; N398-V402 VanDerWaalsContact OD1-CG1 3.29Å; N398-V402 WeakPolarHBondContact OD1-CG1 3.16Å; N398-V402 VanDerWaalsContact OD1-CG2 3.23Å; N398-V402 WeakPolarHBondContact OD1-CG2 3.31Å; N398-K403 PolarHBondContact O-N 3.16Å
399	S	87.2	Confident	85.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.314	C	S	.	.	I	π-helix	trans	-58.8	-48.2	174.1	176.2	0	0	0	0	112	S395 L396 G404 Q405	S395-S399 PolarHBondContact O-N 3.35Å; L396-S399 PolarHBondContact O-N 2.81Å; S399-G404 PolarHBondContact O-N 3.43Å; S399-Q405 WeakPolarHBondContact O-CB 3.24Å; S399-Q405 PolarHBondContact O-N 3.42Å; S399-Q405 WeakPolarHBondContact OG-CB 3.28Å; S399-Q405 PolarHBondContact OG-OE1 3.17Å
400	L	87.5	Confident	85	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.047	34%	0.336	C	S	.	.	I	π-helix	trans	-78.7	-47.5	-175.3	-67.3	178.1	0	0	0	114	L396 Y397 L407 E528 L529	L396-L400 HydrophobicContact CD1-CD1 3.71Å; L396-L400 HydrophobicContact CD1-CD2 4.44Å; L396-L400 HydrophobicContact CD1-CG 3.83Å; L396-L400 HydrophobicContact CD2-CD1 4.42Å; L396-L400 HydrophobicContact CG-CD1 3.79Å; L396-L400 HydrophobicContact CG-CG 4.27Å; L396-L400 WeakPolarHBondContact O-CB 3.16Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.49Å; L396-L400 PolarHBondContact O-N 3.35Å; Y397-L400 PolarHBondContact O-N 3.26Å; L400-L407 HydrophobicContact CD2-CD1 4.18Å; L400-E528 HydrophobicContact CD1-CG 4.12Å; L400-L529 HydrophobicContact CD1-CD1 4.38Å
401	H	84.9	Confident	84.9	Confident	57 Å²	57	58.6 Å²	58.6	26%	0.264	34%	0.344	S	S	.	.	I	π-helix	trans	-101.4	-25.4	-167.5	-61.8	-77.1	0	0	0	114.6	Y397 E528 F534	Y397-H401 AromaticContact CD2-CD2 3.53Å; Y397-H401 HydrophobicContact CE2-CB 4.33Å; Y397-H401 AromaticContact CE2-CD2 3.78Å; Y397-H401 WeakPolarHBondContact O-CB 3.35Å; Y397-H401 PolarHBondContact O-N 3.39Å; H401-E528 IonicContact CD2-OE1 3.43Å; H401-E528 PolarHBondContact CD2-OE1 3.33Å; H401-E528 IonicContact CE1-OE1 3.52Å; H401-E528 IonicContact NE2-OE1 2.68Å; H401-E528 PolarHBondContact NE2-OE1 3.46Å; H401-F534 AromaticContact CE1-CE2 3.77Å; H401-F534 AromaticContact NE2-CE2 3.82Å; H401-F534 AromaticContact NE2-CZ 3.75Å
402	V	83.3	Confident	85.1	Confident	94 Å²	94	58.4 Å²	58.4	57%	0.57	34%	0.343	S	S	*	.	I	π-helix	trans	-100	-54.5	-177.2	-178.5	0	0	0	0	110.3	Y397 N398	Y397-V402 HydrophobicContact CE1-CG2 4.12Å; N398-V402 WeakPolarHBondContact O-CB 3.49Å; N398-V402 PolarHBondContact O-N 3.44Å; N398-V402 WeakPolarHBondContact OD1-CB 3.14Å; N398-V402 VanDerWaalsContact OD1-CG1 3.29Å; N398-V402 WeakPolarHBondContact OD1-CG1 3.16Å; N398-V402 VanDerWaalsContact OD1-CG2 3.23Å; N398-V402 WeakPolarHBondContact OD1-CG2 3.31Å
403	K	86.2	Confident	85.3	Confident	138 Å²	138	53.7 Å²	53.7	60%	0.6	32%	0.317	S	S	*	.	S	Bend	trans	-79.2	-24.1	178.1	-67.7	-178.9	176.7	169.3	0	112.8	D394 N398 Q405	D394-K403 WeakPolarHBondContact OD2-CD 3.31Å; D394-K403 WeakPolarHBondContact OD2-CE 3.44Å; D394-K403 IonicContact OD2-NZ 3.53Å; D394-K403 PolarHBondContact OD2-NZ 3Å; N398-K403 PolarHBondContact O-N 3.16Å; K403-Q405 VanDerWaalsContact C-N 3.26Å; K403-Q405 PolarHBondContact O-N 3.12Å
404	G	82.8	Confident	85.4	Confident	49 Å²	49	53.5 Å²	53.5	51%	0.505	31%	0.309	S	S	.	.			trans	63.2	32.8	-176.9	0	0	0	0	0	112.8	S399 V406	S399-G404 PolarHBondContact O-N 3.43Å; G404-V406 PolarHBondContact O-N 3.49Å
405	Q	83.9	Confident	85.5	Confident	97 Å²	97	52.4 Å²	52.4	45%	0.453	30%	0.303	S	S	.	.			trans	-62	129.1	-175	-172.4	177.4	4.5	0	0	111.1	S399 K403 L407	S399-Q405 WeakPolarHBondContact O-CB 3.24Å; S399-Q405 PolarHBondContact O-N 3.42Å; S399-Q405 WeakPolarHBondContact OG-CB 3.28Å; S399-Q405 PolarHBondContact OG-OE1 3.17Å; K403-Q405 VanDerWaalsContact C-N 3.26Å; K403-Q405 PolarHBondContact O-N 3.12Å; Q405-L407 HydrophobicContact CG-CD2 4.15Å; Q405-L407 PolarHBondContact O-N 2.94Å
406	V	80	Confident	85.4	Confident	143 Å²	143	51.7 Å²	51.7	87%	0.867	30%	0.298	S	S	*	.			trans	-83.5	97.8	176.8	-175.5	0	0	0	0	109.2	G404	G404-V406 PolarHBondContact O-N 3.49Å
407	L	84.4	Confident	85.3	Confident	23 Å²	23	54.3 Å²	54.3	12%	0.12	31%	0.308	C	S	.	.			trans	-83.7	135.8	174.1	-61.1	175.6	0	0	0	110.9	L400 Q405 K412 I415 L529	L400-L407 HydrophobicContact CD2-CD1 4.18Å; Q405-L407 HydrophobicContact CG-CD2 4.15Å; Q405-L407 PolarHBondContact O-N 2.94Å; L407-K412 HydrophobicContact CB-CG 3.92Å; L407-K412 VanDerWaalsContact O-CE 3.27Å; L407-K412 WeakPolarHBondContact O-CE 3.35Å; L407-I415 HydrophobicContact CD1-CD1 3.93Å; L407-L529 HydrophobicContact CD1-CD1 4.17Å
408	S	85.1	Confident	85.1	Confident	62 Å²	62	52.8 Å²	52.8	43%	0.434	30%	0.303	S	S	.	.			trans	-62.7	153	174	84	0	0	0	0	111.2	A410 S411 K412	S408-A410 PolarHBondContact O-N 3.33Å; S408-S411 WeakPolarHBondContact O-CB 3.4Å; S408-S411 PolarHBondContact O-N 3.05Å; S408-S411 WeakPolarHBondContact OG-CB 3.14Å; S408-S411 PolarHBondContact OG-N 2.94Å; S408-S411 PolarHBondContact OG-OG 2.94Å; S408-K412 WeakPolarHBondContact O-CG 3.48Å; S408-K412 PolarHBondContact O-N 3.16Å
409	Q	82.9	Confident	85	Confident	103 Å²	103	50.7 Å²	50.7	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-57.9	-35.7	177	-68.6	-66.3	-22.4	0	0	112.3	K412 L413	Q409-K412 PolarHBondContact O-N 3.31Å; Q409-L413 WeakPolarHBondContact O-CG 3.33Å; Q409-L413 PolarHBondContact O-N 2.71Å
410	A	83.5	Confident	84.7	Confident	72 Å²	72	50.7 Å²	50.7	60%	0.595	29%	0.292	S	S	*	.	H	α-helix	trans	-66.2	-42.4	175.4	0	0	0	0	0	111.9	S408 L413 S414	S408-A410 PolarHBondContact O-N 3.33Å; A410-L413 PolarHBondContact O-N 2.88Å; A410-S414 WeakPolarHBondContact O-CB 3.41Å; A410-S414 PolarHBondContact O-N 3.04Å
411	S	86.2	Confident	84.2	Confident	51 Å²	51	53.1 Å²	53.1	36%	0.357	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-44.3	175.2	-54.1	0	0	0	0	111.2	S408 S414 I415	S408-S411 WeakPolarHBondContact O-CB 3.4Å; S408-S411 PolarHBondContact O-N 3.05Å; S408-S411 WeakPolarHBondContact OG-CB 3.14Å; S408-S411 PolarHBondContact OG-N 2.94Å; S408-S411 PolarHBondContact OG-OG 2.94Å; S411-S414 PolarHBondContact O-N 3.1Å; S411-I415 VanDerWaalsContact O-CG1 3.28Å; S411-I415 WeakPolarHBondContact O-CG1 3.26Å; S411-I415 PolarHBondContact O-N 3.33Å
412	K	87.5	Confident	83.5	Confident	15 Å²	15	50.5 Å²	50.5	7%	0.065	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-48.5	176.1	-67.3	-178.6	-178.8	-152.3	0	111.8	L407 S408 Q409 S414 I415 A416 L529 F530 C532	L407-K412 HydrophobicContact CB-CG 3.92Å; L407-K412 VanDerWaalsContact O-CE 3.27Å; L407-K412 WeakPolarHBondContact O-CE 3.35Å; S408-K412 WeakPolarHBondContact O-CG 3.48Å; S408-K412 PolarHBondContact O-N 3.16Å; Q409-K412 PolarHBondContact O-N 3.31Å; K412-S414 VanDerWaalsContact C-N 3.32Å; K412-S414 PolarHBondContact O-N 3.2Å; K412-I415 PolarHBondContact O-N 3.25Å; K412-A416 WeakPolarHBondContact O-CB 3.5Å; K412-A416 PolarHBondContact O-N 2.62Å; K412-L529 HydrophobicContact CB-CD1 4.42Å; K412-L529 HydrophobicContact CB-CD2 4.03Å; K412-L529 HydrophobicContact CB-CG 3.92Å; K412-L529 HydrophobicContact CD-CG 4.48Å; K412-L529 WeakPolarHBondContact CD-O 3.4Å; K412-L529 VanDerWaalsContact CE-O 3.26Å; K412-L529 WeakPolarHBondContact CE-O 3.48Å; K412-L529 HydrophobicContact CG-CD1 4.11Å; K412-L529 HydrophobicContact CG-CG 3.98Å; K412-L529 PolarHBondContact NZ-O 3.03Å; K412-L529 WeakPolarHBondContact O-CD2 3.47Å; K412-F530 HydrophobicContact CB-CE1 4.09Å; K412-F530 HydrophobicContact CB-CE2 4.09Å; K412-F530 HydrophobicContact CB-CZ 3.81Å; K412-F530 HydrophobicContact CD-CD1 4.28Å; K412-F530 HydrophobicContact CD-CE1 4.48Å; K412-F530 HydrophobicContact CD-CG 4.48Å; K412-F530 PolarHBondContact NZ-O 3.15Å; K412-C532 PolarHBondContact NZ-SG 3.42Å
413	L	85.5	Confident	82.4	Confident	17 Å²	17	46.4 Å²	46.4	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-39.9	175.7	-74.9	168.8	0	0	0	112.1	Q409 A410 A416 R417 F530 M593 V594	Q409-L413 WeakPolarHBondContact O-CG 3.33Å; Q409-L413 PolarHBondContact O-N 2.71Å; A410-L413 PolarHBondContact O-N 2.88Å; L413-A416 PolarHBondContact O-N 3.41Å; L413-R417 VanDerWaalsContact O-CB 3.26Å; L413-R417 WeakPolarHBondContact O-CB 3.38Å; L413-R417 PolarHBondContact O-N 3.47Å; L413-F530 HydrophobicContact CD2-CE1 4.42Å; L413-F530 HydrophobicContact CD2-CZ 3.71Å; L413-F530 HydrophobicContact CG-CE1 4.38Å; L413-F530 HydrophobicContact CG-CZ 3.86Å; L413-M593 HydrophobicContact CD2-CB 4.28Å; L413-M593 HydrophobicContact CD2-SD 4.13Å; L413-V594 HydrophobicContact CB-CG2 4.01Å
414	S	86.5	Confident	81	Confident	39 Å²	39	40.5 Å²	40.5	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-43.3	176.8	-172.9	0	0	0	0	112.2	A410 S411 K412 R417 Q418	A410-S414 WeakPolarHBondContact O-CB 3.41Å; A410-S414 PolarHBondContact O-N 3.04Å; S411-S414 PolarHBondContact O-N 3.1Å; K412-S414 VanDerWaalsContact C-N 3.32Å; K412-S414 PolarHBondContact O-N 3.2Å; S414-R417 PolarHBondContact O-N 3.01Å; S414-Q418 WeakPolarHBondContact O-CB 3.13Å; S414-Q418 WeakPolarHBondContact O-CG 3.22Å; S414-Q418 PolarHBondContact O-N 3.21Å; S414-Q418 PolarHBondContact OG-NE2 3.09Å
415	I	86.9	Confident	79.3	Confident	15 Å²	15	38.5 Å²	38.5	8%	0.077	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-51.2	176.2	-68.2	162.2	0	0	0	110	L407 S411 K412 R417 Q418 V419 L458 V462 L529	L407-I415 HydrophobicContact CD1-CD1 3.93Å; S411-I415 VanDerWaalsContact O-CG1 3.28Å; S411-I415 WeakPolarHBondContact O-CG1 3.26Å; S411-I415 PolarHBondContact O-N 3.33Å; K412-I415 PolarHBondContact O-N 3.25Å; I415-R417 VanDerWaalsContact C-N 3.27Å; I415-R417 PolarHBondContact O-N 2.99Å; I415-Q418 PolarHBondContact O-N 3.45Å; I415-Q418 VanDerWaalsContact O-N 3.14Å; I415-V419 HydrophobicContact CG2-CG2 4.36Å; I415-V419 WeakPolarHBondContact O-CG2 3.39Å; I415-V419 PolarHBondContact O-N 2.82Å; I415-L458 HydrophobicContact CD1-CD2 3.86Å; I415-L458 HydrophobicContact CG1-CD2 4.18Å; I415-L458 HydrophobicContact CG2-CD2 4.34Å; I415-V462 HydrophobicContact CB-CG2 4.27Å; I415-V462 HydrophobicContact CG1-CG2 3.92Å; I415-V462 HydrophobicContact CG2-CG2 4.16Å; I415-L529 HydrophobicContact CB-CD2 4.22Å; I415-L529 HydrophobicContact CD1-CD1 4.46Å; I415-L529 HydrophobicContact CG2-CD2 4.17Å
416	A	87	Confident	77.2	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-41.5	178.1	0	0	0	0	0	112	K412 L413 A420 V526 L529 L590	K412-A416 WeakPolarHBondContact O-CB 3.5Å; K412-A416 PolarHBondContact O-N 2.62Å; L413-A416 PolarHBondContact O-N 3.41Å; A416-A420 WeakPolarHBondContact O-CB 3.39Å; A416-A420 PolarHBondContact O-N 2.62Å; A416-V526 HydrophobicContact CB-CG2 4.28Å; A416-L529 HydrophobicContact CB-CD2 4.11Å; A416-L590 HydrophobicContact CB-CD1 4.34Å; A416-L590 HydrophobicContact CB-CD2 4.37Å
417	R	85.8	Confident	75	Confident	54 Å²	54	36.4 Å²	36.4	20%	0.204	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-45.6	176.1	-174.2	-174.4	64.1	77.2	7.9	111.8	L413 S414 I415 A420 Q421 L590	L413-R417 VanDerWaalsContact O-CB 3.26Å; L413-R417 WeakPolarHBondContact O-CB 3.38Å; L413-R417 PolarHBondContact O-N 3.47Å; S414-R417 PolarHBondContact O-N 3.01Å; I415-R417 VanDerWaalsContact C-N 3.27Å; I415-R417 PolarHBondContact O-N 2.99Å; R417-A420 PolarHBondContact O-N 3.27Å; R417-Q421 HydrophobicContact CG-CG 4.43Å; R417-Q421 WeakPolarHBondContact O-CB 3.35Å; R417-Q421 VanDerWaalsContact O-CG 3.23Å; R417-Q421 WeakPolarHBondContact O-CG 3.49Å; R417-Q421 PolarHBondContact O-N 3.47Å; R417-L590 HydrophobicContact CB-CB 4.42Å
418	Q	84.6	Confident	72.7	Confident	25 Å²	25	40.7 Å²	40.7	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-43.9	178.9	-75.4	177.8	70.4	0	0	111.6	S414 I415 A420 Q421 V422 V462	S414-Q418 WeakPolarHBondContact O-CB 3.13Å; S414-Q418 WeakPolarHBondContact O-CG 3.22Å; S414-Q418 PolarHBondContact O-N 3.21Å; S414-Q418 PolarHBondContact OG-NE2 3.09Å; I415-Q418 PolarHBondContact O-N 3.45Å; I415-Q418 VanDerWaalsContact O-N 3.14Å; Q418-A420 PolarHBondContact O-N 3.02Å; Q418-Q421 WeakPolarHBondContact O-CB 3.42Å; Q418-Q421 PolarHBondContact O-N 3.09Å; Q418-Q421 VanDerWaalsContact O-N 3.15Å; Q418-V422 WeakPolarHBondContact O-CG2 3.32Å; Q418-V422 PolarHBondContact O-N 2.83Å; Q418-V462 HydrophobicContact CB-CB 3.96Å; Q418-V462 HydrophobicContact CB-CG2 4.18Å
419	V	82.7	Confident	70.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-46.4	175.2	176.4	0	0	0	0	110.9	I415 Q421 V422 L451 I456 V462 I464 F522	I415-V419 HydrophobicContact CG2-CG2 4.36Å; I415-V419 WeakPolarHBondContact O-CG2 3.39Å; I415-V419 PolarHBondContact O-N 2.82Å; V419-Q421 VanDerWaalsContact C-N 3.33Å; V419-Q421 PolarHBondContact O-N 3.22Å; V419-V422 WeakPolarHBondContact O-CB 3.38Å; V419-V422 PolarHBondContact O-N 3.28Å; V419-L451 HydrophobicContact CG1-CD1 4.38Å; V419-I456 HydrophobicContact CG1-CD1 4.18Å; V419-I456 HydrophobicContact CG2-CD1 3.85Å; V419-I456 HydrophobicContact CG2-CG1 4.3Å; V419-I456 HydrophobicContact CG2-CG2 4.12Å; V419-V462 HydrophobicContact CG2-CG1 3.9Å; V419-I464 HydrophobicContact CG1-CD1 4.19Å; V419-F522 HydrophobicContact CB-CE2 4.12Å; V419-F522 HydrophobicContact CG1-CD2 3.84Å; V419-F522 HydrophobicContact CG1-CE2 3.89Å
420	A	81.2	Confident	68	Low	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-36.3	175.7	0	0	0	0	0	112	A416 R417 Q418 V422 T423 V424 F522 V586 V587 L590	A416-A420 WeakPolarHBondContact O-CB 3.39Å; A416-A420 PolarHBondContact O-N 2.62Å; R417-A420 PolarHBondContact O-N 3.27Å; Q418-A420 PolarHBondContact O-N 3.02Å; A420-V422 VanDerWaalsContact C-N 3.31Å; A420-V422 PolarHBondContact O-N 3.05Å; A420-T423 PolarHBondContact O-N 3.11Å; A420-T423 PolarHBondContact O-OG1 2.84Å; A420-V424 WeakPolarHBondContact O-CG2 3.28Å; A420-V424 PolarHBondContact O-N 3.4Å; A420-V424 VanDerWaalsContact O-N 3.15Å; A420-F522 HydrophobicContact CB-CE2 3.8Å; A420-F522 HydrophobicContact CB-CZ 3.76Å; A420-V586 HydrophobicContact CB-CG1 4.12Å; A420-V587 VanDerWaalsContact C-CG2 3.44Å; A420-V587 HydrophobicContact CB-CG2 3.52Å; A420-V587 WeakPolarHBondContact O-CG2 3.47Å; A420-L590 HydrophobicContact CB-CD1 3.88Å
421	Q	77.5	Confident	65.7	Low	60 Å²	60	55.9 Å²	55.9	28%	0.28	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-34.4	177.3	-80.9	179.9	-36.2	0	0	113	R417 Q418 V419 T423 V424 G425 V587	R417-Q421 HydrophobicContact CG-CG 4.43Å; R417-Q421 WeakPolarHBondContact O-CB 3.35Å; R417-Q421 VanDerWaalsContact O-CG 3.23Å; R417-Q421 WeakPolarHBondContact O-CG 3.49Å; R417-Q421 PolarHBondContact O-N 3.47Å; Q418-Q421 WeakPolarHBondContact O-CB 3.42Å; Q418-Q421 PolarHBondContact O-N 3.09Å; Q418-Q421 VanDerWaalsContact O-N 3.15Å; V419-Q421 VanDerWaalsContact C-N 3.33Å; V419-Q421 PolarHBondContact O-N 3.22Å; Q421-T423 PolarHBondContact O-N 3.33Å; Q421-V424 CarbonylContact O-C 3.57Å; Q421-V424 PolarHBondContact O-N 2.99Å; Q421-G425 PolarHBondContact O-N 2.78Å; Q421-V587 HydrophobicContact CG-CG1 4.02Å; Q421-V587 HydrophobicContact CG-CG2 4.22Å
422	V	69.4	Low	63	Low	2 Å²	2	61.2 Å²	61.2	1%	0.012	31%	0.309	C	S	.	.	H	α-helix	trans	-54.8	-44.6	175.1	-173.3	0	0	0	0	110.7	N370 I371 Q418 V419 A420 M441 I464	N370-V422 HydrophobicContact CB-CB 4.34Å; N370-V422 HydrophobicContact CB-CG1 4.49Å; N370-V422 HydrophobicContact CB-CG2 3.21Å; I371-V422 HydrophobicContact CD1-CG1 3.48Å; I371-V422 VanDerWaalsContact CD1-CG1 3.48Å; I371-V422 HydrophobicContact CG1-CG1 3.25Å; Q418-V422 WeakPolarHBondContact O-CG2 3.32Å; Q418-V422 PolarHBondContact O-N 2.83Å; V419-V422 WeakPolarHBondContact O-CB 3.38Å; V419-V422 PolarHBondContact O-N 3.28Å; A420-V422 VanDerWaalsContact C-N 3.31Å; A420-V422 PolarHBondContact O-N 3.05Å; V422-M441 HydrophobicContact CG1-CE 4.49Å; V422-M441 WeakPolarHBondContact O-CE 3.49Å; V422-I464 HydrophobicContact CB-CD1 3.73Å; V422-I464 HydrophobicContact CG1-CD1 3.77Å; V422-I464 HydrophobicContact CG1-CG1 4.39Å; V422-I464 HydrophobicContact CG2-CD1 3.68Å; V422-I464 HydrophobicContact CG2-CG1 4.04Å
423	T	61.3	Low	60.4	Low	9 Å²	9	67.8 Å²	67.8	6%	0.055	34%	0.343	C	S	.	.	H	α-helix	trans	-69.6	-38.3	178.5	59.7	0	0	0	0	111.3	A420 Q421 G425 H442 L448 F583	A420-T423 PolarHBondContact O-N 3.11Å; A420-T423 PolarHBondContact O-OG1 2.84Å; Q421-T423 PolarHBondContact O-N 3.33Å; T423-G425 VanDerWaalsContact C-N 3.31Å; T423-G425 PolarHBondContact O-N 3.21Å; T423-H442 PolarHBondContact O-CD2 2.85Å; T423-H442 VanDerWaalsContact O-CD2 3.3Å; T423-H442 PolarHBondContact O-CE1 3.37Å; T423-H442 PolarHBondContact O-ND1 3.09Å; T423-H442 VanDerWaalsContact O-ND1 3.09Å; T423-H442 PolarHBondContact O-NE2 3.1Å; T423-L448 HydrophobicContact CG2-CD1 3.98Å; T423-F583 HydrophobicContact CG2-CD1 4.18Å; T423-F583 HydrophobicContact CG2-CD2 4.05Å; T423-F583 HydrophobicContact CG2-CE1 3.88Å; T423-F583 HydrophobicContact CG2-CE2 3.75Å; T423-F583 HydrophobicContact CG2-CG 4.27Å; T423-F583 HydrophobicContact CG2-CZ 3.66Å; T423-F583 VanDerWaalsContact OG1-CB 3.3Å; T423-F583 WeakPolarHBondContact OG1-CB 3.13Å; T423-F583 WeakPolarHBondContact OG1-CD1 3.42Å; T423-F583 WeakPolarHBondContact OG1-CD2 3.49Å; T423-F583 WeakPolarHBondContact OG1-CE1 3.49Å; T423-F583 WeakPolarHBondContact OG1-CG 3.24Å
424	V	56.7	Low	58	Low	13 Å²	13	72.4 Å²	72.4	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-78.6	-9.4	-179	-176.7	0	0	0	0	114.4	A420 Q421 C426 L427 F583 P584 V587	A420-V424 WeakPolarHBondContact O-CG2 3.28Å; A420-V424 PolarHBondContact O-N 3.4Å; A420-V424 VanDerWaalsContact O-N 3.15Å; Q421-V424 CarbonylContact O-C 3.57Å; Q421-V424 PolarHBondContact O-N 2.99Å; V424-C426 CarbonylContact O-C 3.57Å; V424-C426 PolarHBondContact O-N 3.33Å; V424-L427 HydrophobicContact CG1-CB 4.41Å; V424-L427 HydrophobicContact CG1-CD1 3.71Å; V424-L427 HydrophobicContact CG1-CG 4.33Å; V424-F583 HydrophobicContact CG2-CB 3.57Å; V424-F583 VanDerWaalsContact CG2-O 3.24Å; V424-F583 WeakPolarHBondContact CG2-O 3.37Å; V424-P584 HydrophobicContact CG1-CB 4.37Å; V424-P584 HydrophobicContact CG1-CG 4.2Å; V424-P584 HydrophobicContact CG2-CG 4.25Å; V424-P584 VanDerWaalsContact CG2-N 3.34Å; V424-V587 HydrophobicContact CB-CG2 4Å; V424-V587 HydrophobicContact CG2-CB 4.13Å; V424-V587 HydrophobicContact CG2-CG2 3.38Å
425	G	46.4	Very low	55.3	Low	7 Å²	7	78.4 Å²	78.4	7%	0.072	40%	0.4	C	S	.	.			trans	-24.4	101.9	-173	0	0	0	0	0	114	Q421 T423	Q421-G425 PolarHBondContact O-N 2.78Å; T423-G425 VanDerWaalsContact C-N 3.31Å; T423-G425 PolarHBondContact O-N 3.21Å
426	C	39.2	Very low	52.7	Low	79 Å²	79	86.5 Å²	86.5	53%	0.534	44%	0.435	S	S	.	.			trans	95.4	73	-174.2	-53.4	0	0	0	0	117.3	V424 S439	V424-C426 CarbonylContact O-C 3.57Å; V424-C426 PolarHBondContact O-N 3.33Å; C426-S439 VanDerWaalsContact CB-CA 3.47Å
427	L	34.5	Very low	49.9	Very low	118 Å²	118	89.8 Å²	89.8	62%	0.618	47%	0.469	S	S	*	.	S	Bend	trans	-116.7	139	144.6	-90.6	160.4	0	0	0	107.9	V424 W429 P584	V424-L427 HydrophobicContact CG1-CB 4.41Å; V424-L427 HydrophobicContact CG1-CD1 3.71Å; V424-L427 HydrophobicContact CG1-CG 4.33Å; L427-W429 PolarHBondContact O-N 3.35Å; L427-P584 HydrophobicContact CD1-CB 3.8Å; L427-P584 HydrophobicContact CD1-CG 4.28Å
428	P	35.8	Very low	47.4	Very low	112 Å²	112	92.4 Å²	92.4	73%	0.727	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-66	127.9	-146.6	23.7	-33.2	0	0	0	113	R430	P428-R430 PolarHBondContact O-N 3.31Å
429	W	35.3	Very low	44.8	Very low	235 Å²	235	94.3 Å²	94.3	89%	0.89	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-53	118.3	159.1	177	-93.9	0	0	0	107.8	L427 S431	L427-W429 PolarHBondContact O-N 3.35Å; W429-S431 PolarHBondContact O-N 2.87Å
430	R	34.4	Very low	43	Very low	224 Å²	224	97.2 Å²	97.2	85%	0.845	51%	0.512	S	S	*	.	S	Bend	trans	-59.7	129.2	173.6	-74	170	78.9	99.9	-4.6	107.7	P428	P428-R430 PolarHBondContact O-N 3.31Å
431	S	35.4	Very low	41	Very low	98 Å²	98	97.7 Å²	97.7	69%	0.685	51%	0.514	S	S	*	.	S	Bend	trans	107	95.4	168.1	-40.9	0	0	0	0	113.3	W429	W429-S431 PolarHBondContact O-N 2.87Å
432	L	28.9	Very low	39.4	Very low	162 Å²	162	97.3 Å²	97.3	85%	0.848	51%	0.512	S	S	*	.				51.1	91.3	124.1	-138.5	124.2	0	0	0	114.5
433	I	32.7	Very low	38	Very low	153 Å²	153	100.6 Å²	100.6	79%	0.785	54%	0.536	S	S	*	.			trans	157.2	120.2	143.3	-80.6	156.5	0	0	0	109
434	V	35.5	Very low	37.4	Very low	114 Å²	114	105.6 Å²	105.6	69%	0.691	55%	0.553	S	S	*	*			trans	84.4	94.8	159.2	-176.3	0	0	0	0	117.8	F436	V434-F436 HydrophobicContact CG1-CD2 4.31Å; V434-F436 PolarHBondContact O-N 3.46Å; V434-F436 VanDerWaalsContact O-N 3.13Å
435	L	29.3	Very low	37.2	Very low	165 Å²	165	107 Å²	107	86%	0.864	57%	0.571	S	S	*	*			trans	-35.1	100.8	140.4	-69	146.8	0	0	0	111.5
436	F	33.6	Very low	37.7	Very low	185 Å²	185	108 Å²	108	81%	0.811	57%	0.574	S	S	*	*			trans	174.1	130.4	152.6	-88.5	-65.2	0	0	0	108.7	V434	V434-F436 HydrophobicContact CG1-CD2 4.31Å; V434-F436 PolarHBondContact O-N 3.46Å; V434-F436 VanDerWaalsContact O-N 3.13Å
437	G	27.8	Very low	38.9	Very low	70 Å²	70	105.4 Å²	105.4	72%	0.722	56%	0.556	S	S	*	*			trans	93.1	84.9	149.8	0	0	0	0	0	118.4
438	M	32	Very low	40.4	Very low	110 Å²	110	101.7 Å²	101.7	54%	0.542	54%	0.536	S	S	.	.				64.6	106.1	129.5	-50.8	-138.7	83.3	0	0	119.3	Y440	M438-Y440 VanDerWaalsContact C-N 3.31Å; M438-Y440 HydrophobicContact CB-CD2 4.36Å; M438-Y440 PolarHBondContact O-N 3.38Å
439	S	31.9	Very low	41.9	Very low	64 Å²	64	101 Å²	101	45%	0.448	52%	0.519	S	S	.	.			trans	-66.2	82.1	159.9	10.5	0	0	0	0	111.3	C426 M441 S443	C426-S439 VanDerWaalsContact CB-CA 3.47Å; S439-M441 PolarHBondContact O-N 2.93Å; S439-S443 WeakPolarHBondContact O-CB 3.47Å; S439-S443 PolarHBondContact O-N 3.32Å; S439-S443 PolarHBondContact O-OG 3.05Å
440	Y	43.7	Very low	43.5	Very low	61 Å²	61	94.6 Å²	94.6	24%	0.239	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.8	-148	-162.7	-108.4	0	0	0	117.1	N365 R367 M438 R444	N365-Y440 WeakPolarHBondContact O-CE1 3.33Å; N365-Y440 PolarHBondContact O-OH 2.93Å; R367-Y440 HydrophobicContact CB-CE1 4.49Å; M438-Y440 VanDerWaalsContact C-N 3.31Å; M438-Y440 HydrophobicContact CB-CD2 4.36Å; M438-Y440 PolarHBondContact O-N 3.38Å; Y440-R444 WeakPolarHBondContact O-CB 3.48Å; Y440-R444 VanDerWaalsContact O-CG 3.29Å; Y440-R444 WeakPolarHBondContact O-CG 3.44Å
441	M	40.6	Very low	45.7	Very low	10 Å²	10	84.2 Å²	84.2	5%	0.049	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-41.8	-173.5	-79.6	-173.5	-78.3	0	0	115.6	I366 H368 I371 V422 S439 R444 G445 I446	I366-M441 HydrophobicContact CG2-SD 4.04Å; H368-M441 HydrophobicContact CB-CE 3.48Å; H368-M441 VanDerWaalsContact CB-CE 3.48Å; H368-M441 HydrophobicContact CB-SD 4.44Å; H368-M441 WeakPolarHBondContact CD2-CE 3.43Å; I371-M441 HydrophobicContact CD1-CE 3.85Å; I371-M441 HydrophobicContact CD1-SD 3.29Å; I371-M441 WeakPolarHBondContact CD1-SD 2.88Å; V422-M441 HydrophobicContact CG1-CE 4.49Å; V422-M441 WeakPolarHBondContact O-CE 3.49Å; S439-M441 PolarHBondContact O-N 2.93Å; M441-R444 PolarHBondContact O-N 3.07Å; M441-G445 PolarHBondContact O-N 2.89Å; M441-I446 PolarHBondContact O-N 3.29Å
442	H	43.2	Very low	48	Very low	52 Å²	52	80.4 Å²	80.4	24%	0.241	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-25.4	177	-81.8	166.4	0	0	0	114.3	T423 K515 F583	T423-H442 PolarHBondContact O-CD2 2.85Å; T423-H442 VanDerWaalsContact O-CD2 3.3Å; T423-H442 PolarHBondContact O-CE1 3.37Å; T423-H442 PolarHBondContact O-ND1 3.09Å; T423-H442 VanDerWaalsContact O-ND1 3.09Å; T423-H442 PolarHBondContact O-NE2 3.1Å; H442-K515 PolarHBondContact O-NZ 3.17Å; H442-F583 AromaticContact CE1-CD2 3.94Å; H442-F583 AromaticContact NE2-CD2 3.87Å
443	S	40.6	Very low	50.7	Low	72 Å²	72	72.7 Å²	72.7	50%	0.503	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.2	168.9	79.1	0	0	0	0	112.6	S439	S439-S443 WeakPolarHBondContact O-CB 3.47Å; S439-S443 PolarHBondContact O-N 3.32Å; S439-S443 PolarHBondContact O-OG 3.05Å
444	R	48.7	Very low	53.1	Low	113 Å²	113	66 Å²	66	43%	0.426	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-3.8	175.3	-70.8	-155.2	174.3	-147.3	0.7	115.3	N365 Y440 M441 I446	N365-R444 PolarHBondContact OD1-NH1 2.96Å; N365-R444 VanDerWaalsContact OD1-NH1 3.09Å; Y440-R444 WeakPolarHBondContact O-CB 3.48Å; Y440-R444 VanDerWaalsContact O-CG 3.29Å; Y440-R444 WeakPolarHBondContact O-CG 3.44Å; M441-R444 PolarHBondContact O-N 3.07Å; R444-I446 VanDerWaalsContact C-N 3.31Å; R444-I446 HydrophobicContact CB-CD1 4.2Å; R444-I446 HydrophobicContact CB-CG1 4.11Å; R444-I446 PolarHBondContact O-N 2.78Å
445	G	50.8	Low	55.5	Low	43 Å²	43	60.6 Å²	60.6	44%	0.443	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	23.7	174.9	0	0	0	0	0	114.9	M441	M441-G445 PolarHBondContact O-N 2.89Å
446	I	58.3	Low	58.3	Low	27 Å²	27	52.8 Å²	52.8	14%	0.138	28%	0.284	C	S	.	.			trans	-75.4	128	-177.4	-61.1	176.9	0	0	0	110.1	V362 N365 I366 M441 R444	V362-I446 HydrophobicContact CG1-CG2 3.81Å; N365-I446 HydrophobicContact CB-CD1 4.5Å; I366-I446 HydrophobicContact CD1-CD1 4.21Å; I366-I446 HydrophobicContact CD1-CG2 3.82Å; I366-I446 HydrophobicContact CG1-CD1 3.59Å; I366-I446 HydrophobicContact CG1-CG2 4.35Å; M441-I446 PolarHBondContact O-N 3.29Å; R444-I446 VanDerWaalsContact C-N 3.31Å; R444-I446 HydrophobicContact CB-CD1 4.2Å; R444-I446 HydrophobicContact CB-CG1 4.11Å; R444-I446 PolarHBondContact O-N 2.78Å
447	V	63.3	Low	60.9	Low	26 Å²	26	44.6 Å²	44.6	16%	0.158	25%	0.248	C	C	.	.			trans	-106.6	129.2	174.9	-179.3	0	0	0	0	107.3	R449 F513 K515 D518	V447-R449 HydrophobicContact CB-CG 4.46Å; V447-R449 HydrophobicContact CG1-CG 4.18Å; V447-R449 PolarHBondContact O-N 3.36Å; V447-F513 HydrophobicContact CG1-CB 3.77Å; V447-K515 HydrophobicContact CG2-CG 4.47Å; V447-D518 WeakPolarHBondContact CG1-OD2 3.42Å
448	L	67.3	Low	63.8	Low	40 Å²	40	42.8 Å²	42.8	21%	0.209	22%	0.222	C	C	.	.			trans	-69.6	-24.2	-175.4	-69.7	175.2	0	0	0	112	T423 H450 L451 I464 D518	T423-L448 HydrophobicContact CG2-CD1 3.98Å; L448-H450 PolarHBondContact O-N 3.38Å; L448-L451 HydrophobicContact CD1-CB 4.5Å; L448-L451 HydrophobicContact CD1-CD1 4.06Å; L448-L451 HydrophobicContact CD1-CD2 4.41Å; L448-I464 HydrophobicContact CD1-CD1 4.39Å; L448-D518 PolarHBondContact N-OD2 3.46Å
449	R	67.1	Low	66.3	Low	97 Å²	97	39.3 Å²	39.3	37%	0.366	21%	0.205	S	C	.	.	S	Bend	trans	63.8	-34.5	178.1	-61.8	177	176.7	-174	-4.5	114.7	E358 V447 F513 D518	E358-R449 IonicContact OE2-NH1 3.81Å; V447-R449 HydrophobicContact CB-CG 4.46Å; V447-R449 HydrophobicContact CG1-CG 4.18Å; V447-R449 PolarHBondContact O-N 3.36Å; R449-F513 HydrophobicContact CB-CD1 4.24Å; R449-F513 HydrophobicContact CB-CE1 4.49Å; R449-F513 HydrophobicContact CB-CG 4.32Å; R449-F513 HydrophobicContact CG-CB 4.1Å; R449-F513 HydrophobicContact CG-CD1 4.46Å; R449-F513 HydrophobicContact CG-CD2 4.38Å; R449-F513 HydrophobicContact CG-CG 4.08Å; R449-F513 WeakPolarHBondContact O-CE1 3.33Å; R449-D518 PolarHBondContact N-OD1 3.19Å
450	H	69	Low	68.8	Low	101 Å²	101	42.2 Å²	42.2	47%	0.468	23%	0.225	S	C	.	.			trans	-131.8	50.8	-174.1	-64.7	-69.4	0	0	0	112.7	L448 T452 N455	L448-H450 PolarHBondContact O-N 3.38Å; H450-T452 PolarHBondContact O-N 2.77Å; H450-N455 PolarHBondContact O-ND2 3.29Å
451	L	79.8	Confident	70.6	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.026	23%	0.234	C	C	.	.			trans	-77.9	102.4	175.9	-173.6	62.4	0	0	0	110.8	V419 L448 I464 A521 F522 I525	V419-L451 HydrophobicContact CG1-CD1 4.38Å; L448-L451 HydrophobicContact CD1-CB 4.5Å; L448-L451 HydrophobicContact CD1-CD1 4.06Å; L448-L451 HydrophobicContact CD1-CD2 4.41Å; L451-I464 HydrophobicContact CD1-CD1 4.09Å; L451-I464 HydrophobicContact CD1-CG2 4.44Å; L451-A521 HydrophobicContact CB-CB 4.23Å; L451-F522 HydrophobicContact CD2-CB 4.1Å; L451-I525 HydrophobicContact CD1-CD1 4.03Å; L451-I525 HydrophobicContact CD2-CD1 4.07Å; L451-I525 HydrophobicContact CG-CD1 3.55Å
452	T	84.7	Confident	72.8	Confident	19 Å²	19	43.9 Å²	43.9	12%	0.117	23%	0.233	C	C	.	.			trans	-136.3	165.6	177.6	72.8	0	0	0	0	111.4	H450 K454 N455 Y491	H450-T452 PolarHBondContact O-N 2.77Å; T452-K454 PolarHBondContact O-N 3.5Å; T452-K454 PolarHBondContact OG1-N 3.37Å; T452-N455 PolarHBondContact O-N 2.85Å; T452-N455 VanDerWaalsContact O-N 3.1Å; T452-Y491 HydrophobicContact CG2-CD2 3.82Å; T452-Y491 HydrophobicContact CG2-CE2 4.11Å; T452-Y491 HydrophobicContact CG2-CG 4.07Å
453	S	85.4	Confident	74.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-65.8	-17.5	176.2	63.9	0	0	0	0	114.1	L396 Y397 N455 Y491 E528	L396-S453 WeakPolarHBondContact CB-O 3.45Å; L396-S453 PolarHBondContact N-O 3.16Å; Y397-S453 PolarHBondContact N-O 2.72Å; S453-N455 VanDerWaalsContact C-N 3.3Å; S453-Y491 WeakPolarHBondContact CB-OH 2.97Å; S453-Y491 PolarHBondContact N-OH 3Å; S453-Y491 PolarHBondContact OG-OH 3.37Å; S453-E528 VanDerWaalsContact CB-OE1 3.26Å; S453-E528 WeakPolarHBondContact CB-OE1 3.47Å; S453-E528 WeakPolarHBondContact CB-OE2 3.46Å; S453-E528 VanDerWaalsContact OG-CD 3.29Å; S453-E528 PolarHBondContact OG-OE1 3.07Å; S453-E528 PolarHBondContact OG-OE2 3.31Å
454	K	83.6	Confident	76.9	Confident	11 Å²	11	40.4 Å²	40.4	5%	0.048	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-73.1	-28.2	174.3	-64.6	170	-178.1	166.3	0	112	S395 Y397 T452 N488	S395-K454 WeakPolarHBondContact CB-O 3.28Å; Y397-K454 HydrophobicContact CD1-CG 4.27Å; Y397-K454 HydrophobicContact CD2-CG 4.11Å; Y397-K454 HydrophobicContact CG-CG 3.75Å; T452-K454 PolarHBondContact O-N 3.5Å; T452-K454 PolarHBondContact OG1-N 3.37Å; K454-N488 PolarHBondContact NZ-OD1 3.26Å
455	N	85.3	Confident	78.4	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.011	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-93	3.1	-177	-70.8	7	0	0	0	112.2	H450 T452 S453 I464 S465 I467	H450-N455 PolarHBondContact O-ND2 3.29Å; T452-N455 PolarHBondContact O-N 2.85Å; T452-N455 VanDerWaalsContact O-N 3.1Å; S453-N455 VanDerWaalsContact C-N 3.3Å; N455-I464 CarbonylContact O-C 3.58Å; N455-I464 WeakPolarHBondContact O-CA 3.47Å; N455-S465 WeakPolarHBondContact CB-O 3.17Å; N455-S465 PolarHBondContact O-N 2.8Å; N455-I467 PolarHBondContact OD1-O 2.86Å
456	I	87.8	Confident	79.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.3	177	-65.2	168.2	0	0	0	108.5	S395 L396 V419 L458 V462 I525	S395-I456 CarbonylContact C-O 3.53Å; S395-I456 VanDerWaalsContact CA-O 3.31Å; S395-I456 WeakPolarHBondContact CA-O 3.44Å; L396-I456 HydrophobicContact CB-CB 3.97Å; L396-I456 HydrophobicContact CB-CG2 4.04Å; L396-I456 HydrophobicContact CD2-CB 4.46Å; L396-I456 HydrophobicContact CD2-CD1 4.11Å; L396-I456 HydrophobicContact CD2-CG2 4.34Å; L396-I456 PolarHBondContact N-O 2.75Å; V419-I456 HydrophobicContact CG1-CD1 4.18Å; V419-I456 HydrophobicContact CG2-CD1 3.85Å; V419-I456 HydrophobicContact CG2-CG1 4.3Å; V419-I456 HydrophobicContact CG2-CG2 4.12Å; I456-L458 HydrophobicContact CG2-CD2 4.45Å; I456-V462 HydrophobicContact CG2-CG1 3.5Å; I456-V462 VanDerWaalsContact CG2-CG1 3.5Å; I456-I525 HydrophobicContact CD1-CD1 3.79Å; I456-I525 HydrophobicContact CD1-CG1 4.32Å; I456-I525 HydrophobicContact CD1-CG2 3.78Å
457	M	88.7	Confident	79.6	Confident	13 Å²	13	34.3 Å²	34.3	6%	0.064	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.1	178.4	-55.2	-53.2	-71.4	0	0	110.5	Q391 G393 E459 V462 K463 F469	Q391-M457 HydrophobicContact CB-CE 4.14Å; Q391-M457 HydrophobicContact CB-CG 4.3Å; Q391-M457 HydrophobicContact CG-CG 4.35Å; Q391-M457 VanDerWaalsContact OE1-CG 3.3Å; G393-M457 WeakPolarHBondContact O-CE 3.45Å; M457-E459 HydrophobicContact CB-CG 4.38Å; M457-E459 PolarHBondContact O-N 3.38Å; M457-V462 WeakPolarHBondContact O-CA 3.4Å; M457-K463 HydrophobicContact CB-CB 4.44Å; M457-K463 WeakPolarHBondContact CB-O 3.12Å; M457-K463 PolarHBondContact N-O 3.48Å; M457-K463 PolarHBondContact O-N 2.95Å; M457-F469 HydrophobicContact SD-CD2 4.48Å; M457-F469 HydrophobicContact SD-CE2 4.32Å
458	L	88.1	Confident	79.6	Confident	33 Å²	33	36.2 Å²	36.2	17%	0.173	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	89.2	177	-57.8	-177.7	0	0	0	109.6	G393 D394 L396 I415 I456 V462	G393-L458 WeakPolarHBondContact CA-O 3.46Å; D394-L458 WeakPolarHBondContact O-CB 3.29Å; D394-L458 PolarHBondContact O-N 3.32Å; L396-L458 HydrophobicContact CB-CD2 4.45Å; L396-L458 HydrophobicContact CB-CG 4.47Å; L396-L458 HydrophobicContact CD1-CD1 4.09Å; L396-L458 HydrophobicContact CD1-CD2 4.23Å; I415-L458 HydrophobicContact CD1-CD2 3.86Å; I415-L458 HydrophobicContact CG1-CD2 4.18Å; I415-L458 HydrophobicContact CG2-CD2 4.34Å; I456-L458 HydrophobicContact CG2-CD2 4.45Å; L458-V462 HydrophobicContact CD2-CG2 4.37Å
459	E	85.7	Confident	79	Confident	37 Å²	37	36.1 Å²	36.1	17%	0.173	18%	0.184	C	C	.	.	S	Bend	trans	-104.8	-165.3	169.5	-33.5	-166.8	161.6	0	0	110.8	Q391 N392 M457 K461 K463	Q391-E459 VanDerWaalsContact CA-OE1 3.23Å; Q391-E459 WeakPolarHBondContact CA-OE1 3.1Å; N392-E459 PolarHBondContact N-OE1 3.15Å; N392-E459 VanDerWaalsContact O-CB 3.27Å; N392-E459 WeakPolarHBondContact O-CB 3.27Å; N392-E459 WeakPolarHBondContact O-CG 3.49Å; M457-E459 HydrophobicContact CB-CG 4.38Å; M457-E459 PolarHBondContact O-N 3.38Å; E459-K461 CarbonylContact C-O 3.47Å; E459-K461 WeakPolarHBondContact CB-O 3.21Å; E459-K461 PolarHBondContact O-N 3.24Å; E459-K463 HydrophobicContact CG-CD 4.49Å; E459-K463 IonicContact OE1-NZ 3.5Å; E459-K463 WeakPolarHBondContact OE2-CD 3.45Å; E459-K463 WeakPolarHBondContact OE2-CE 2.96Å; E459-K463 IonicContact OE2-NZ 2.7Å; E459-K463 PolarHBondContact OE2-NZ 3.45Å
460	S	82.5	Confident	78	Confident	125 Å²	125	31.6 Å²	31.6	87%	0.874	17%	0.167	S	C	*	.	S	Bend	trans	-54.4	-36.2	170.7	59.8	0	0	0	0	112.5
461	K	82.8	Confident	76.7	Confident	100 Å²	100	31.1 Å²	31.1	44%	0.435	17%	0.172	S	C	.	.	S	Bend	trans	-118.9	145.8	161.8	-69.3	-177.1	176.2	179.8	0	108.5	E369 E459 K463	E369-K461 IonicContact OE2-NZ 3.83Å; E369-K461 PolarHBondContact OE2-NZ 3.24Å; E459-K461 CarbonylContact C-O 3.47Å; E459-K461 WeakPolarHBondContact CB-O 3.21Å; E459-K461 PolarHBondContact O-N 3.24Å; K461-K463 PolarHBondContact O-N 3.44Å
462	V	85.8	Confident	75	Confident	5 Å²	5	33.4 Å²	33.4	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.7	176.5	176.4	0	0	0	0	109.1	N370 I415 Q418 V419 I456 M457 L458	N370-V462 WeakPolarHBondContact CA-O 3.49Å; N370-V462 WeakPolarHBondContact CB-O 3.36Å; N370-V462 PolarHBondContact ND2-O 2.73Å; I415-V462 HydrophobicContact CB-CG2 4.27Å; I415-V462 HydrophobicContact CG1-CG2 3.92Å; I415-V462 HydrophobicContact CG2-CG2 4.16Å; Q418-V462 HydrophobicContact CB-CB 3.96Å; Q418-V462 HydrophobicContact CB-CG2 4.18Å; V419-V462 HydrophobicContact CG2-CG1 3.9Å; I456-V462 HydrophobicContact CG2-CG1 3.5Å; I456-V462 VanDerWaalsContact CG2-CG1 3.5Å; M457-V462 WeakPolarHBondContact O-CA 3.4Å; L458-V462 HydrophobicContact CD2-CG2 4.37Å
463	K	85.5	Confident	73.1	Confident	47 Å²	47	35.7 Å²	35.7	20%	0.204	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.7	173.9	-70.2	-172.5	-175.4	154.6	0	110.7	N370 V372 M457 E459 K461	N370-K463 CarbonylContact O-C 3.54Å; N370-K463 WeakPolarHBondContact O-CA 3.09Å; V372-K463 HydrophobicContact CG2-CB 4.28Å; M457-K463 HydrophobicContact CB-CB 4.44Å; M457-K463 WeakPolarHBondContact CB-O 3.12Å; M457-K463 PolarHBondContact N-O 3.48Å; M457-K463 PolarHBondContact O-N 2.95Å; E459-K463 HydrophobicContact CG-CD 4.49Å; E459-K463 IonicContact OE1-NZ 3.5Å; E459-K463 WeakPolarHBondContact OE2-CD 3.45Å; E459-K463 WeakPolarHBondContact OE2-CE 2.96Å; E459-K463 IonicContact OE2-NZ 2.7Å; E459-K463 PolarHBondContact OE2-NZ 3.45Å; K461-K463 PolarHBondContact O-N 3.44Å
464	I	84.3	Confident	71.1	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.8	171.9	-55.4	-174.6	0	0	0	107.7	N370 V372 V419 V422 L448 L451 N455	N370-I464 PolarHBondContact O-N 2.99Å; V372-I464 WeakPolarHBondContact CG2-O 3.4Å; V372-I464 PolarHBondContact N-O 3.44Å; V419-I464 HydrophobicContact CG1-CD1 4.19Å; V422-I464 HydrophobicContact CB-CD1 3.73Å; V422-I464 HydrophobicContact CG1-CD1 3.77Å; V422-I464 HydrophobicContact CG1-CG1 4.39Å; V422-I464 HydrophobicContact CG2-CD1 3.68Å; V422-I464 HydrophobicContact CG2-CG1 4.04Å; L448-I464 HydrophobicContact CD1-CD1 4.39Å; L451-I464 HydrophobicContact CD1-CD1 4.09Å; L451-I464 HydrophobicContact CD1-CG2 4.44Å; N455-I464 CarbonylContact O-C 3.58Å; N455-I464 WeakPolarHBondContact O-CA 3.47Å
465	S	80.1	Confident	69.2	Low	1 Å²	1	50.9 Å²	50.9	1%	0.007	27%	0.274	C	S	.	.			trans	-84.4	139.4	170	-165.7	0	0	0	0	110.2	Q391 N455 I467 F469	Q391-S465 PolarHBondContact NE2-OG 2.98Å; N455-S465 WeakPolarHBondContact CB-O 3.17Å; N455-S465 PolarHBondContact O-N 2.8Å; S465-I467 VanDerWaalsContact C-N 3.32Å; S465-I467 PolarHBondContact OG-N 3.4Å; S465-F469 WeakPolarHBondContact OG-CE2 3.46Å
466	T	68.5	Low	67.2	Low	49 Å²	49	54.9 Å²	54.9	30%	0.301	30%	0.301	S	S	.	.	S	Bend	trans	-88.3	-9.8	171.9	51.9	0	0	0	0	111.7	L363	L363-T466 VanDerWaalsContact CD2-CB 3.49Å; L363-T466 HydrophobicContact CD2-CG2 3.3Å; L363-T466 WeakPolarHBondContact CD2-OG1 3.45Å
467	I	65.8	Low	65.3	Low	4 Å²	4	59.4 Å²	59.4	2%	0.021	33%	0.333	C	S	.	.	S	Bend	trans	-85.7	123.3	178.3	-55.6	171.4	0	0	0	108.5	I330 N342 T388 N455 S465 F469	I330-I467 HydrophobicContact CD1-CG2 3.3Å; I330-I467 HydrophobicContact CG1-CG2 3.83Å; N342-I467 HydrophobicContact CB-CD1 4.08Å; N342-I467 HydrophobicContact CB-CG1 4.28Å; N342-I467 HydrophobicContact CB-CG2 4.29Å; T388-I467 HydrophobicContact CG2-CD1 4.2Å; T388-I467 WeakPolarHBondContact OG1-CD1 3.49Å; N455-I467 PolarHBondContact OD1-O 2.86Å; S465-I467 VanDerWaalsContact C-N 3.32Å; S465-I467 PolarHBondContact OG-N 3.4Å; I467-F469 HydrophobicContact CB-CE2 4.24Å; I467-F469 HydrophobicContact CB-CZ 4.5Å; I467-F469 VanDerWaalsContact O-CD2 3.31Å; I467-F469 WeakPolarHBondContact O-CD2 3.43Å; I467-F469 PolarHBondContact O-N 3.04Å; I467-F469 VanDerWaalsContact O-N 3.13Å
468	D	64.2	Low	63.5	Low	66 Å²	66	66.8 Å²	66.8	35%	0.353	36%	0.36	S	S	.	.			trans	-73.1	101.4	173.4	-176.5	12.1	0	0	0	110	G470 R485	D468-G470 PolarHBondContact O-N 3.5Å; D468-G470 WeakPolarHBondContact OD1-CA 3.39Å; D468-G470 PolarHBondContact OD1-N 3.17Å; D468-R485 IonicContact OD2-NH1 3.57Å
469	F	53.7	Low	61.6	Low	38 Å²	38	75.5 Å²	75.5	17%	0.167	39%	0.391	C	S	.	.			trans	-73	19.8	171.1	-68.8	-82.5	0	0	0	113.5	I322 I330 M340 M457 S465 I467 V471	I322-F469 HydrophobicContact CG2-CE1 4.46Å; I330-F469 HydrophobicContact CD1-CD1 3.75Å; I330-F469 HydrophobicContact CD1-CE1 3.9Å; I330-F469 HydrophobicContact CD1-CG 4.4Å; I330-F469 HydrophobicContact CG2-CE1 4.18Å; M340-F469 HydrophobicContact CE-CE1 3.77Å; M340-F469 HydrophobicContact CE-CZ 3.78Å; M457-F469 HydrophobicContact SD-CD2 4.48Å; M457-F469 HydrophobicContact SD-CE2 4.32Å; S465-F469 WeakPolarHBondContact OG-CE2 3.46Å; I467-F469 HydrophobicContact CB-CE2 4.24Å; I467-F469 HydrophobicContact CB-CZ 4.5Å; I467-F469 VanDerWaalsContact O-CD2 3.31Å; I467-F469 WeakPolarHBondContact O-CD2 3.43Å; I467-F469 PolarHBondContact O-N 3.04Å; I467-F469 VanDerWaalsContact O-N 3.13Å; F469-V471 PolarHBondContact O-N 3Å
470	G	46.7	Very low	60.2	Low	2 Å²	2	78.2 Å²	78.2	2%	0.021	41%	0.407	C	S	.	.			trans	-58.1	120.5	-176.7	0	0	0	0	0	113.1	D468 R485	D468-G470 PolarHBondContact O-N 3.5Å; D468-G470 WeakPolarHBondContact OD1-CA 3.39Å; D468-G470 PolarHBondContact OD1-N 3.17Å; G470-R485 PolarHBondContact O-NH2 3.44Å
471	V	42.2	Very low	59.2	Low	92 Å²	92	77.7 Å²	77.7	56%	0.558	39%	0.389	S	S	*	.			trans	-43	124.8	169.3	-176.6	0	0	0	0	110.3	F469 L473 R485	F469-V471 PolarHBondContact O-N 3Å; V471-L473 PolarHBondContact O-N 2.95Å; V471-R485 PolarHBondContact O-NE 3.5Å; V471-R485 PolarHBondContact O-NH2 3.46Å
472	P	43.3	Very low	58.3	Low	53 Å²	53	74.3 Å²	74.3	34%	0.344	38%	0.382	S	S	.	.			trans	-50.1	135.6	-178	16.2	-29.2	0	0	0	111.6	V474	P472-V474 PolarHBondContact O-N 3.36Å
473	L	45.3	Very low	57.2	Low	67 Å²	67	75.3 Å²	75.3	35%	0.351	39%	0.389	S	S	.	.			trans	-61.3	108.9	170.7	-78.1	162.4	0	0	0	107.1	V471 K475 R485	V471-L473 PolarHBondContact O-N 2.95Å; L473-K475 PolarHBondContact O-N 3.11Å; L473-K475 VanDerWaalsContact O-N 3.16Å; L473-R485 HydrophobicContact CD2-CG 3.61Å; L473-R485 HydrophobicContact CG-CG 4.07Å
474	V	43.7	Very low	56.5	Low	127 Å²	127	75.8 Å²	75.8	77%	0.77	40%	0.396	S	S	*	.			trans	-54.5	124.6	171.2	179.1	0	0	0	0	106.6	P472 C476	P472-V474 PolarHBondContact O-N 3.36Å; V474-C476 VanDerWaalsContact C-N 3.26Å; V474-C476 PolarHBondContact O-N 3.3Å
475	K	44	Very low	55.9	Low	202 Å²	202	78.1 Å²	78.1	88%	0.878	41%	0.405	S	S	*	.			trans	-44.6	83.4	-175.3	-69.9	-180	178.1	179.1	0	112.2	L473 S477	L473-K475 PolarHBondContact O-N 3.11Å; L473-K475 VanDerWaalsContact O-N 3.16Å; K475-S477 VanDerWaalsContact C-N 3.34Å
476	C	43.5	Very low	55.4	Low	86 Å²	86	85.6 Å²	85.6	58%	0.581	43%	0.433	S	S	*	.			trans	-106.5	59.4	162.6	-82	0	0	0	0	106.8	V474 R478	V474-C476 VanDerWaalsContact C-N 3.26Å; V474-C476 PolarHBondContact O-N 3.3Å; C476-R478 PolarHBondContact O-N 3.48Å; C476-R478 VanDerWaalsContact O-N 3.1Å
477	S	47.2	Very low	55.9	Low	95 Å²	95	83.7 Å²	83.7	66%	0.664	42%	0.423	S	S	*	.			trans	-69.5	100.8	161.8	167.5	0	0	0	0	106.6	K475	K475-S477 VanDerWaalsContact C-N 3.34Å
478	R	50.2	Low	56.6	Low	168 Å²	168	85.2 Å²	85.2	63%	0.634	43%	0.431	S	S	*	.	B	Isolated β-bridge	trans	-104.1	129	157.5	-75.5	-176.8	169.8	150.8	-2.7	105.7	C476 N480 K481	C476-R478 PolarHBondContact O-N 3.48Å; C476-R478 VanDerWaalsContact O-N 3.1Å; R478-N480 PolarHBondContact O-N 3.1Å; R478-K481 HydrophobicContact CB-CB 4.15Å; R478-K481 HydrophobicContact CB-CD 4.35Å; R478-K481 HydrophobicContact CB-CG 4.16Å; R478-K481 PolarHBondContact O-N 3.48Å
479	W	47.7	Very low	57.7	Low	216 Å²	216	82.7 Å²	82.7	82%	0.818	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	130.6	166.7	71.4	-82.5	0	0	0	107.5	K481	W479-K481 PolarHBondContact O-N 3.03Å
480	N	56.8	Low	59.4	Low	95 Å²	95	81.2 Å²	81.2	51%	0.508	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	7.6	-176.3	84.5	19.1	0	0	0	119.9	R478	R478-N480 PolarHBondContact O-N 3.1Å
481	K	62.3	Low	61.4	Low	113 Å²	113	81.8 Å²	81.8	49%	0.491	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-123.4	127.9	177.3	-55	-162.9	176.4	-164.5	0	112.9	R478 W479	R478-K481 HydrophobicContact CB-CB 4.15Å; R478-K481 HydrophobicContact CB-CD 4.35Å; R478-K481 HydrophobicContact CB-CG 4.16Å; R478-K481 PolarHBondContact O-N 3.48Å; W479-K481 PolarHBondContact O-N 3.03Å
482	G	62.5	Low	63.6	Low	29 Å²	29	78.1 Å²	78.1	30%	0.299	39%	0.391	S	S	.	.			trans	-72.9	145.3	163	0	0	0	0	0	110.8	V502	G482-V502 VanDerWaalsContact N-CG1 3.26Å
483	S	64.4	Low	65.8	Low	26 Å²	26	75.6 Å²	75.6	18%	0.182	38%	0.375	C	S	.	.			trans	-115	121	174.8	61.6	0	0	0	0	109.5	P505	S483-P505 PolarHBondContact N-O 3.49Å; S483-P505 PolarHBondContact OG-O 2.99Å
484	V	70.2	Confident	68	Low	57 Å²	57	72.5 Å²	72.5	35%	0.345	36%	0.359	S	S	.	.			trans	-115.4	136.9	175.7	-169	0	0	0	0	109.2	N488 L489 V507	V484-N488 HydrophobicContact CG1-CB 3.86Å; V484-L489 HydrophobicContact CB-CD1 4.46Å; V484-L489 HydrophobicContact CB-CD2 4.5Å; V484-L489 HydrophobicContact CB-CG 4.25Å; V484-L489 HydrophobicContact CG1-CD1 4.45Å; V484-L489 HydrophobicContact CG1-CD2 3.93Å; V484-L489 HydrophobicContact CG1-CG 3.72Å; V484-L489 HydrophobicContact CG2-CD2 4.23Å; V484-L489 HydrophobicContact CG2-CG 4.44Å; V484-V507 HydrophobicContact CG2-CB 3.7Å; V484-V507 HydrophobicContact CG2-CG1 4.03Å; V484-V507 HydrophobicContact CG2-CG2 3.42Å; V484-V507 VanDerWaalsContact CG2-CG2 3.42Å
485	R	70.8	Confident	70.1	Confident	55 Å²	55	68.3 Å²	68.3	21%	0.208	33%	0.331	C	S	.	.			trans	-62.7	142.2	174.9	-62.5	178.7	177.1	112.4	-10.6	109.4	D468 G470 V471 L473 G487 N488	D468-R485 IonicContact OD2-NH1 3.57Å; G470-R485 PolarHBondContact O-NH2 3.44Å; V471-R485 PolarHBondContact O-NE 3.5Å; V471-R485 PolarHBondContact O-NH2 3.46Å; L473-R485 HydrophobicContact CD2-CG 3.61Å; L473-R485 HydrophobicContact CG-CG 4.07Å; R485-G487 PolarHBondContact O-N 3.46Å; R485-N488 HydrophobicContact CB-CB 4.36Å; R485-N488 WeakPolarHBondContact O-CB 3.38Å; R485-N488 PolarHBondContact O-N 2.88Å; R485-N488 VanDerWaalsContact O-N 3.09Å
486	R	70.7	Confident	72.1	Confident	157 Å²	157	58.9 Å²	58.9	59%	0.592	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	132.1	176.2	-170.2	179.3	-174.7	178.1	4.9	110.1	N488 A537	R486-N488 VanDerWaalsContact C-N 3.28Å; R486-N488 PolarHBondContact O-N 3.25Å; R486-A537 PolarHBondContact NH2-O 3.14Å
487	G	78	Confident	74.2	Confident	10 Å²	10	55 Å²	55	10%	0.103	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-23.2	179.9	0	0	0	0	0	114.8	R485 L489 T490	R485-G487 PolarHBondContact O-N 3.46Å; G487-L489 VanDerWaalsContact C-N 3.32Å; G487-L489 PolarHBondContact O-N 3.16Å; G487-T490 WeakPolarHBondContact O-CB 3.29Å; G487-T490 PolarHBondContact O-N 2.93Å; G487-T490 PolarHBondContact O-OG1 3.19Å
488	N	81.6	Confident	76	Confident	36 Å²	36	56.1 Å²	56.1	19%	0.193	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.7	-39.5	-176.9	-81.6	26.2	0	0	0	112.5	K454 V484 R485 R486 T490 Y491	K454-N488 PolarHBondContact NZ-OD1 3.26Å; V484-N488 HydrophobicContact CG1-CB 3.86Å; R485-N488 HydrophobicContact CB-CB 4.36Å; R485-N488 WeakPolarHBondContact O-CB 3.38Å; R485-N488 PolarHBondContact O-N 2.88Å; R485-N488 VanDerWaalsContact O-N 3.09Å; R486-N488 VanDerWaalsContact C-N 3.28Å; R486-N488 PolarHBondContact O-N 3.25Å; N488-T490 PolarHBondContact O-N 3.04Å; N488-Y491 PolarHBondContact O-N 3.35Å
489	L	86.7	Confident	77.6	Confident	12 Å²	12	50.1 Å²	50.1	6%	0.063	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-62.7	-21.4	176.6	-67.1	178.1	0	0	0	113.5	V484 G487 Y491 V492 M497 L500 A541 L544 I545	V484-L489 HydrophobicContact CB-CD1 4.46Å; V484-L489 HydrophobicContact CB-CD2 4.5Å; V484-L489 HydrophobicContact CB-CG 4.25Å; V484-L489 HydrophobicContact CG1-CD1 4.45Å; V484-L489 HydrophobicContact CG1-CD2 3.93Å; V484-L489 HydrophobicContact CG1-CG 3.72Å; V484-L489 HydrophobicContact CG2-CD2 4.23Å; V484-L489 HydrophobicContact CG2-CG 4.44Å; G487-L489 VanDerWaalsContact C-N 3.32Å; G487-L489 PolarHBondContact O-N 3.16Å; L489-Y491 VanDerWaalsContact C-N 3.26Å; L489-Y491 PolarHBondContact O-N 3.01Å; L489-V492 PolarHBondContact O-N 3.3Å; L489-M497 HydrophobicContact CB-CE 4.44Å; L489-M497 WeakPolarHBondContact O-CE 3.09Å; L489-L500 HydrophobicContact CD2-CD1 3.82Å; L489-A541 HydrophobicContact CD1-CB 3.8Å; L489-L544 HydrophobicContact CB-CD2 3.72Å; L489-I545 HydrophobicContact CD1-CD1 4.17Å; L489-I545 HydrophobicContact CD1-CG1 4.22Å
490	T	89.4	Confident	79.2	Confident	8 Å²	8	40.6 Å²	40.6	5%	0.049	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-72.7	-18.5	-177.7	67.9	0	0	0	0	113.4	G487 N488 T524 F534 L544	G487-T490 WeakPolarHBondContact O-CB 3.29Å; G487-T490 PolarHBondContact O-N 2.93Å; G487-T490 PolarHBondContact O-OG1 3.19Å; N488-T490 PolarHBondContact O-N 3.04Å; T490-T524 WeakPolarHBondContact O-CG2 3.13Å; T490-T524 PolarHBondContact O-OG1 2.97Å; T490-F534 HydrophobicContact CG2-CB 4.37Å; T490-L544 HydrophobicContact CG2-CD2 3.83Å
491	Y	89.4	Confident	80.2	Confident	14 Å²	14	39.2 Å²	39.2	6%	0.055	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-86.2	-13.9	174.3	-55.1	-79	0	0	0	112.7	T452 S453 N488 L489 Y520 T524 I525 E528 F534	T452-Y491 HydrophobicContact CG2-CD2 3.82Å; T452-Y491 HydrophobicContact CG2-CE2 4.11Å; T452-Y491 HydrophobicContact CG2-CG 4.07Å; S453-Y491 WeakPolarHBondContact CB-OH 2.97Å; S453-Y491 PolarHBondContact N-OH 3Å; S453-Y491 PolarHBondContact OG-OH 3.37Å; N488-Y491 PolarHBondContact O-N 3.35Å; L489-Y491 VanDerWaalsContact C-N 3.26Å; L489-Y491 PolarHBondContact O-N 3.01Å; Y491-Y520 WeakPolarHBondContact O-CD1 3.45Å; Y491-T524 HydrophobicContact CD1-CG2 3.53Å; Y491-T524 HydrophobicContact CE1-CG2 3.64Å; Y491-T524 HydrophobicContact CG-CG2 4.18Å; Y491-I525 HydrophobicContact CD1-CG1 4.18Å; Y491-I525 HydrophobicContact CE1-CG1 3.72Å; Y491-E528 VanDerWaalsContact OH-CD 3.26Å; Y491-E528 PolarHBondContact OH-OE1 3.15Å; Y491-E528 PolarHBondContact OH-OE2 3.24Å; Y491-F534 HydrophobicContact CE2-CE1 4.04Å; Y491-F534 AromaticContact CZ-CE1 3.99Å; Y491-F534 WeakPolarHBondContact OH-CE1 3.35Å
492	V	88.6	Confident	80.7	Confident	15 Å²	15	36 Å²	36	9%	0.091	18%	0.182	C	C	.	.	S	Bend	trans	-80.9	124.4	-175.3	-175.2	0	0	0	0	109.2	L489 L496 M497 L509 Y520	L489-V492 PolarHBondContact O-N 3.3Å; V492-L496 HydrophobicContact CG1-CB 3.61Å; V492-M497 HydrophobicContact CB-CE 3.89Å; V492-M497 HydrophobicContact CG1-CB 3.91Å; V492-M497 HydrophobicContact CG1-CE 4.32Å; V492-L509 HydrophobicContact CG1-CD1 4.24Å; V492-L509 HydrophobicContact CG1-CD2 3.83Å; V492-L509 HydrophobicContact CG2-CD1 4.05Å; V492-Y520 WeakPolarHBondContact O-CE1 3.48Å
493	S	89.8	Confident	80.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.			trans	-70.2	156.7	178.4	61.5	0	0	0	0	112.1	E495 L496 M497	S493-E495 VanDerWaalsContact C-N 3.27Å; S493-E495 VanDerWaalsContact CB-CD 3.49Å; S493-E495 WeakPolarHBondContact CB-OE1 3.47Å; S493-E495 WeakPolarHBondContact CB-OE2 3.31Å; S493-E495 PolarHBondContact O-N 3.33Å; S493-E495 PolarHBondContact OG-OE1 3.15Å; S493-E495 PolarHBondContact OG-OE2 3.49Å; S493-L496 PolarHBondContact O-N 2.93Å; S493-L496 VanDerWaalsContact O-N 3.1Å; S493-L496 WeakPolarHBondContact OG-CG 3.23Å; S493-M497 VanDerWaalsContact O-CB 3.28Å; S493-M497 WeakPolarHBondContact O-CB 3.48Å; S493-M497 PolarHBondContact O-N 3.27Å
494	P	89.8	Confident	81	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.013	20%	0.199	C	C	.	.	H	α-helix	trans	-54	-37.9	-179	-27.5	33.3	0	0	0	114.5	R498 Y520 V548 V575	P494-R498 VanDerWaalsContact O-CG 3.28Å; P494-R498 WeakPolarHBondContact O-CG 3.42Å; P494-R498 PolarHBondContact O-N 3.29Å; P494-R498 VanDerWaalsContact O-N 3.13Å; P494-Y520 HydrophobicContact CG-CE2 4.29Å; P494-V548 HydrophobicContact CB-CG1 4.3Å; P494-V548 HydrophobicContact CG-CG1 3.79Å; P494-V575 HydrophobicContact CB-CG1 4.45Å
495	E	88.1	Confident	80.6	Confident	39 Å²	39	39.3 Å²	39.3	18%	0.182	19%	0.193	C	C	.	.	H	α-helix	trans	-68.3	-40.3	177.1	66.6	-76	178.8	0	0	112.8	S493 P577 R580	S493-E495 VanDerWaalsContact C-N 3.27Å; S493-E495 VanDerWaalsContact CB-CD 3.49Å; S493-E495 WeakPolarHBondContact CB-OE1 3.47Å; S493-E495 WeakPolarHBondContact CB-OE2 3.31Å; S493-E495 PolarHBondContact O-N 3.33Å; S493-E495 PolarHBondContact OG-OE1 3.15Å; S493-E495 PolarHBondContact OG-OE2 3.49Å; E495-P577 HydrophobicContact CG-CG 4.19Å; E495-R580 IonicContact OE1-CZ 3.46Å; E495-R580 IonicContact OE1-NH1 3.44Å; E495-R580 PolarHBondContact OE1-NH1 3.39Å; E495-R580 IonicContact OE1-NH2 2.7Å; E495-R580 PolarHBondContact OE1-NH2 2.86Å; E495-R580 IonicContact OE2-CZ 2.7Å; E495-R580 IonicContact OE2-NH1 2.64Å; E495-R580 IonicContact OE2-NH2 3.44Å; E495-R580 PolarHBondContact OE2-NH2 3.41Å
496	L	86.9	Confident	80.3	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-71.9	-36	175	-69.4	178.1	0	0	0	111.5	V492 S493 R498 C499 L500 G511 F513	V492-L496 HydrophobicContact CG1-CB 3.61Å; S493-L496 PolarHBondContact O-N 2.93Å; S493-L496 VanDerWaalsContact O-N 3.1Å; S493-L496 WeakPolarHBondContact OG-CG 3.23Å; L496-R498 VanDerWaalsContact C-N 3.29Å; L496-R498 PolarHBondContact O-N 3.39Å; L496-C499 CarbonylContact O-C 3.55Å; L496-C499 WeakPolarHBondContact O-CA 3.45Å; L496-C499 PolarHBondContact O-N 2.95Å; L496-L500 PolarHBondContact O-N 2.92Å; L496-G511 WeakPolarHBondContact CD2-O 3.26Å; L496-F513 HydrophobicContact CD1-CD1 3.59Å; L496-F513 HydrophobicContact CD1-CE1 3.63Å; L496-F513 HydrophobicContact CD1-CG 4.37Å; L496-F513 HydrophobicContact CD1-CZ 4.43Å; L496-F513 HydrophobicContact CD2-CD1 4.36Å; L496-F513 HydrophobicContact CD2-CG 4.37Å
497	M	87.8	Confident	80.4	Confident	5 Å²	5	34.6 Å²	34.6	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-67.9	-28.7	-179.6	-168.2	170.1	-74.9	0	0	112.5	L489 V492 S493 C499 L500 I545 V548	L489-M497 HydrophobicContact CB-CE 4.44Å; L489-M497 WeakPolarHBondContact O-CE 3.09Å; V492-M497 HydrophobicContact CB-CE 3.89Å; V492-M497 HydrophobicContact CG1-CB 3.91Å; V492-M497 HydrophobicContact CG1-CE 4.32Å; S493-M497 VanDerWaalsContact O-CB 3.28Å; S493-M497 WeakPolarHBondContact O-CB 3.48Å; S493-M497 PolarHBondContact O-N 3.27Å; M497-C499 VanDerWaalsContact C-N 3.28Å; M497-L500 VanDerWaalsContact O-CB 3.23Å; M497-L500 WeakPolarHBondContact O-CB 3.28Å; M497-L500 PolarHBondContact O-N 2.87Å; M497-I545 HydrophobicContact CG-CB 4.49Å; M497-I545 HydrophobicContact CG-CG1 4.22Å; M497-I545 HydrophobicContact CG-CG2 4.12Å; M497-I545 VanDerWaalsContact SD-CA 3.58Å; M497-I545 HydrophobicContact SD-CB 4.21Å; M497-I545 HydrophobicContact SD-CG1 4.09Å; M497-I545 HydrophobicContact SD-CG2 4.35Å; M497-V548 HydrophobicContact CE-CB 4.32Å; M497-V548 HydrophobicContact CE-CG1 4.16Å; M497-V548 HydrophobicContact CE-CG2 4.45Å; M497-V548 HydrophobicContact SD-CB 3.66Å; M497-V548 HydrophobicContact SD-CG1 3.74Å; M497-V548 HydrophobicContact SD-CG2 4.32Å
498	R	85.1	Confident	80	Confident	118 Å²	118	36.5 Å²	36.5	45%	0.445	19%	0.191	S	C	.	.	H	α-helix	trans	-72.1	-21.7	170.9	-72.4	175.8	-164.5	114.6	1.9	113.1	P494 L496 L500 C549	P494-R498 VanDerWaalsContact O-CG 3.28Å; P494-R498 WeakPolarHBondContact O-CG 3.42Å; P494-R498 PolarHBondContact O-N 3.29Å; P494-R498 VanDerWaalsContact O-N 3.13Å; L496-R498 VanDerWaalsContact C-N 3.29Å; L496-R498 PolarHBondContact O-N 3.39Å; R498-L500 VanDerWaalsContact C-N 3.34Å; R498-C549 PolarHBondContact NH2-O 3.16Å
499	C	82.4	Confident	79.7	Confident	41 Å²	41	37.3 Å²	37.3	28%	0.277	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	25.6	175.3	-57.4	0	0	0	0	111.7	L496 M497 H501 T510 G511	L496-C499 CarbonylContact O-C 3.55Å; L496-C499 WeakPolarHBondContact O-CA 3.45Å; L496-C499 PolarHBondContact O-N 2.95Å; M497-C499 VanDerWaalsContact C-N 3.28Å; C499-H501 PolarHBondContact O-N 2.94Å; C499-T510 PolarHBondContact O-N 3.33Å; C499-T510 VanDerWaalsContact O-N 3.08Å; C499-T510 PolarHBondContact O-OG1 3.09Å; C499-G511 VanDerWaalsContact CB-CA 3.47Å; C499-G511 VanDerWaalsContact CB-N 3.32Å
500	L	82	Confident	78.9	Confident	16 Å²	16	41 Å²	41	8%	0.084	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.3	177	-173.3	155.3	0	0	0	108.6	L489 L496 M497 R498 V502 V507 L509 I545	L489-L500 HydrophobicContact CD2-CD1 3.82Å; L496-L500 PolarHBondContact O-N 2.92Å; M497-L500 VanDerWaalsContact O-CB 3.23Å; M497-L500 WeakPolarHBondContact O-CB 3.28Å; M497-L500 PolarHBondContact O-N 2.87Å; R498-L500 VanDerWaalsContact C-N 3.34Å; L500-V502 HydrophobicContact CD2-CG2 3.8Å; L500-V507 HydrophobicContact CD1-CG1 3.68Å; L500-V507 HydrophobicContact CD2-CG1 3.39Å; L500-V507 HydrophobicContact CG-CG1 3.37Å; L500-L509 HydrophobicContact CB-CD2 4.43Å; L500-I545 HydrophobicContact CD1-CD1 4.22Å
501	H	76.9	Confident	78.1	Confident	67 Å²	67	40.9 Å²	40.9	31%	0.31	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.6	175.5	-175.4	73.4	0	0	0	109.4	C499 V507 L508 T510	C499-H501 PolarHBondContact O-N 2.94Å; H501-V507 CarbonylContact O-C 3.54Å; H501-V507 WeakPolarHBondContact O-CA 3.12Å; H501-L508 PolarHBondContact N-O 3Å; H501-L508 PolarHBondContact O-N 3.44Å; H501-T510 HydrophobicContact CB-CG2 3.95Å
502	V	73.5	Confident	77.4	Confident	46 Å²	46	45.6 Å²	45.6	28%	0.279	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109.2	177.1	178.3	0	0	0	0	107.7	G482 L500 P504 V507	G482-V502 VanDerWaalsContact N-CG1 3.26Å; L500-V502 HydrophobicContact CD2-CG2 3.8Å; V502-P504 HydrophobicContact CG1-CG 4.08Å; V502-P504 WeakPolarHBondContact O-CD 3.48Å; V502-V507 HydrophobicContact CG2-CG2 4.26Å
503	D	67.3	Low	76.8	Confident	87 Å²	87	47.5 Å²	47.5	47%	0.465	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	87.7	170.4	-179.7	18.5	0	0	0	108.2	E506 L508	D503-E506 CarbonylContact C-O 3.53Å; D503-E506 PolarHBondContact N-O 3.26Å; D503-E506 CarbonylContact O-C 3.55Å; D503-E506 VanDerWaalsContact O-CA 3.26Å; D503-E506 WeakPolarHBondContact O-CA 3.33Å; D503-E506 WeakPolarHBondContact O-CB 3.32Å; D503-E506 PolarHBondContact O-N 3.47Å; D503-E506 VanDerWaalsContact O-O 3.09Å; D503-L508 HydrophobicContact CB-CD1 3.85Å; D503-L508 HydrophobicContact CB-CG 4.3Å
504	P	65.2	Low	76.5	Confident	58 Å²	58	48.9 Å²	48.9	38%	0.377	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	133.8	-165.7	-26.4	34.3	0	0	0	113.3	V502	V502-P504 HydrophobicContact CG1-CG 4.08Å; V502-P504 WeakPolarHBondContact O-CD 3.48Å
505	P	63.3	Low	76.2	Confident	35 Å²	35	52.2 Å²	52.2	23%	0.227	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89.8	9.4	7.9	36.9	-37	0	0	0	114.4	S483	S483-P505 PolarHBondContact N-O 3.49Å; S483-P505 PolarHBondContact OG-O 2.99Å
506	E	64.6	Low	76.2	Confident	76 Å²	76	53.1 Å²	53.1	36%	0.355	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	159.8	-172.4	-55.9	-167.7	-179.5	0	0	112.4	K326 D503 L508	K326-E506 IonicContact NZ-OE1 2.68Å; K326-E506 PolarHBondContact NZ-OE1 3.34Å; D503-E506 CarbonylContact C-O 3.53Å; D503-E506 PolarHBondContact N-O 3.26Å; D503-E506 CarbonylContact O-C 3.55Å; D503-E506 VanDerWaalsContact O-CA 3.26Å; D503-E506 WeakPolarHBondContact O-CA 3.33Å; D503-E506 WeakPolarHBondContact O-CB 3.32Å; D503-E506 PolarHBondContact O-N 3.47Å; D503-E506 VanDerWaalsContact O-O 3.09Å; E506-L508 HydrophobicContact CB-CD2 4.39Å
507	V	71.2	Confident	76.2	Confident	38 Å²	38	53.1 Å²	53.1	23%	0.23	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	109.5	174.5	175.9	0	0	0	0	106.2	V484 L500 H501 V502	V484-V507 HydrophobicContact CG2-CB 3.7Å; V484-V507 HydrophobicContact CG2-CG1 4.03Å; V484-V507 HydrophobicContact CG2-CG2 3.42Å; V484-V507 VanDerWaalsContact CG2-CG2 3.42Å; L500-V507 HydrophobicContact CD1-CG1 3.68Å; L500-V507 HydrophobicContact CD2-CG1 3.39Å; L500-V507 HydrophobicContact CG-CG1 3.37Å; H501-V507 CarbonylContact O-C 3.54Å; H501-V507 WeakPolarHBondContact O-CA 3.12Å; V502-V507 HydrophobicContact CG2-CG2 4.26Å
508	L	70.1	Confident	76.1	Confident	50 Å²	50	53.2 Å²	53.2	26%	0.262	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	141.5	-176.3	-55.3	178.7	0	0	0	109.2	H501 D503 E506	H501-L508 PolarHBondContact N-O 3Å; H501-L508 PolarHBondContact O-N 3.44Å; D503-L508 HydrophobicContact CB-CD1 3.85Å; D503-L508 HydrophobicContact CB-CG 4.3Å; E506-L508 HydrophobicContact CB-CD2 4.39Å
509	L	76	Confident	76.4	Confident	53 Å²	53	47.8 Å²	47.8	28%	0.277	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	106.4	169.6	-65.3	173.2	0	0	0	106.8	V492 L500 F513	V492-L509 HydrophobicContact CG1-CD1 4.24Å; V492-L509 HydrophobicContact CG1-CD2 3.83Å; V492-L509 HydrophobicContact CG2-CD1 4.05Å; L500-L509 HydrophobicContact CB-CD2 4.43Å; L509-F513 HydrophobicContact CB-CE2 4.32Å; L509-F513 HydrophobicContact CB-CZ 3.99Å; L509-F513 HydrophobicContact CD1-CE1 4.28Å; L509-F513 HydrophobicContact CD1-CZ 3.85Å
510	T	70.5	Confident	76.9	Confident	89 Å²	89	46 Å²	46	55%	0.546	25%	0.254	S	S	.	.			trans	-91.4	-7.7	-179.1	59.6	0	0	0	0	112.6	C499 H501	C499-T510 PolarHBondContact O-N 3.33Å; C499-T510 VanDerWaalsContact O-N 3.08Å; C499-T510 PolarHBondContact O-OG1 3.09Å; H501-T510 HydrophobicContact CB-CG2 3.95Å
511	G	72.4	Confident	77.3	Confident	6 Å²	6	45.5 Å²	45.5	6%	0.062	25%	0.253	C	S	.	.	S	Bend	trans	-71.8	153.5	-179.7	0	0	0	0	0	113.2	L496 C499 F513	L496-G511 WeakPolarHBondContact CD2-O 3.26Å; C499-G511 VanDerWaalsContact CB-CA 3.47Å; C499-G511 VanDerWaalsContact CB-N 3.32Å; G511-F513 PolarHBondContact O-N 3Å
512	P	74.4	Confident	78	Confident	113 Å²	113	42.4 Å²	42.4	73%	0.734	24%	0.238	S	C	*	.			trans	-70	115.6	177.8	28.7	-33.4	0	0	0	110.3	S514	P512-S514 PolarHBondContact O-N 3.49Å
513	F	75.9	Confident	78.8	Confident	54 Å²	54	40.2 Å²	40.2	24%	0.237	23%	0.225	C	C	.	.			trans	-64.6	133.4	170.4	-70.7	-92.8	0	0	0	110.2	V447 R449 L496 L509 G511	V447-F513 HydrophobicContact CG1-CB 3.77Å; R449-F513 HydrophobicContact CB-CD1 4.24Å; R449-F513 HydrophobicContact CB-CE1 4.49Å; R449-F513 HydrophobicContact CB-CG 4.32Å; R449-F513 HydrophobicContact CG-CB 4.1Å; R449-F513 HydrophobicContact CG-CD1 4.46Å; R449-F513 HydrophobicContact CG-CD2 4.38Å; R449-F513 HydrophobicContact CG-CG 4.08Å; R449-F513 WeakPolarHBondContact O-CE1 3.33Å; L496-F513 HydrophobicContact CD1-CD1 3.59Å; L496-F513 HydrophobicContact CD1-CE1 3.63Å; L496-F513 HydrophobicContact CD1-CG 4.37Å; L496-F513 HydrophobicContact CD1-CZ 4.43Å; L496-F513 HydrophobicContact CD2-CD1 4.36Å; L496-F513 HydrophobicContact CD2-CG 4.37Å; L509-F513 HydrophobicContact CB-CE2 4.32Å; L509-F513 HydrophobicContact CB-CZ 3.99Å; L509-F513 HydrophobicContact CD1-CE1 4.28Å; L509-F513 HydrophobicContact CD1-CZ 3.85Å; G511-F513 PolarHBondContact O-N 3Å
514	S	82.6	Confident	80	Confident	30 Å²	30	36.1 Å²	36.1	21%	0.21	20%	0.203	C	C	.	.			trans	-128.9	166.5	-179	87.7	0	0	0	0	111.5	P512 E516 S517 D518	P512-S514 PolarHBondContact O-N 3.49Å; S514-E516 WeakPolarHBondContact CB-OE2 3.41Å; S514-E516 PolarHBondContact O-N 3.2Å; S514-E516 PolarHBondContact OG-N 3.48Å; S514-E516 PolarHBondContact OG-OE2 3.43Å; S514-S517 PolarHBondContact N-OG 3.1Å; S514-S517 WeakPolarHBondContact O-CB 3.28Å; S514-S517 PolarHBondContact O-N 3.35Å; S514-S517 PolarHBondContact O-OG 3.21Å; S514-S517 PolarHBondContact OG-N 2.68Å; S514-D518 PolarHBondContact O-N 3.4Å
515	K	83.7	Confident	81.2	Confident	72 Å²	72	33.5 Å²	33.5	31%	0.313	19%	0.186	S	C	.	.	H	α-helix	trans	-59	-36	175.2	-64.4	177.8	-179.8	177.9	0	111.2	H442 V447 S517 D518 V519	H442-K515 PolarHBondContact O-NZ 3.17Å; V447-K515 HydrophobicContact CG2-CG 4.47Å; K515-S517 VanDerWaalsContact C-N 3.31Å; K515-S517 PolarHBondContact O-N 2.7Å; K515-D518 WeakPolarHBondContact O-CB 3.45Å; K515-D518 PolarHBondContact O-N 2.75Å; K515-V519 WeakPolarHBondContact O-CG2 3.27Å; K515-V519 PolarHBondContact O-N 2.93Å; K515-V519 VanDerWaalsContact O-N 3.07Å
516	E	88.5	Confident	82.5	Confident	57 Å²	57	31.9 Å²	31.9	27%	0.266	18%	0.176	S	C	.	.	H	α-helix	trans	-68.3	-30.5	177.3	-56.3	71.8	-155.7	0	0	111.8	S514 V519 Y520 P577 R580	S514-E516 WeakPolarHBondContact CB-OE2 3.41Å; S514-E516 PolarHBondContact O-N 3.2Å; S514-E516 PolarHBondContact OG-N 3.48Å; S514-E516 PolarHBondContact OG-OE2 3.43Å; E516-V519 PolarHBondContact O-N 3.44Å; E516-Y520 PolarHBondContact O-N 3.13Å; E516-Y520 VanDerWaalsContact O-N 3.13Å; E516-P577 HydrophobicContact CB-CB 3.74Å; E516-P577 HydrophobicContact CG-CB 4.02Å; E516-P577 WeakPolarHBondContact CG-O 3.37Å; E516-R580 VanDerWaalsContact C-NH1 3.33Å; E516-R580 WeakPolarHBondContact O-CD 3.43Å; E516-R580 PolarHBondContact O-NH1 3.5Å
517	S	86.8	Confident	83.8	Confident	4 Å²	4	28.9 Å²	28.9	3%	0.028	16%	0.162	C	C	.	.	H	α-helix	trans	-68	-39.1	172.6	77.5	0	0	0	0	111.7	S514 K515 V519 Y520 A521	S514-S517 PolarHBondContact N-OG 3.1Å; S514-S517 WeakPolarHBondContact O-CB 3.28Å; S514-S517 PolarHBondContact O-N 3.35Å; S514-S517 PolarHBondContact O-OG 3.21Å; S514-S517 PolarHBondContact OG-N 2.68Å; K515-S517 VanDerWaalsContact C-N 3.31Å; K515-S517 PolarHBondContact O-N 2.7Å; S517-V519 VanDerWaalsContact C-N 3.33Å; S517-V519 PolarHBondContact O-N 2.86Å; S517-Y520 WeakPolarHBondContact O-CB 3.46Å; S517-Y520 PolarHBondContact O-N 2.63Å; S517-A521 PolarHBondContact O-N 3.26Å; S517-A521 VanDerWaalsContact O-N 3.09Å
518	D	86.6	Confident	84.7	Confident	8 Å²	8	27.1 Å²	27.1	4%	0.043	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-37	172.5	-74.1	-21.2	0	0	0	111.6	V447 L448 R449 S514 K515 Y520 A521 F522 F583	V447-D518 WeakPolarHBondContact CG1-OD2 3.42Å; L448-D518 PolarHBondContact N-OD2 3.46Å; R449-D518 PolarHBondContact N-OD1 3.19Å; S514-D518 PolarHBondContact O-N 3.4Å; K515-D518 WeakPolarHBondContact O-CB 3.45Å; K515-D518 PolarHBondContact O-N 2.75Å; D518-Y520 VanDerWaalsContact C-N 3.31Å; D518-Y520 PolarHBondContact O-N 3.45Å; D518-A521 PolarHBondContact O-N 3.49Å; D518-F522 WeakPolarHBondContact O-CB 3.46Å; D518-F522 PolarHBondContact O-N 3.38Å; D518-F583 HydrophobicContact CB-CE2 3.91Å; D518-F583 HydrophobicContact CB-CZ 3.97Å
519	V	91.4	Very high	85.6	Confident	4 Å²	4	24.7 Å²	24.7	2%	0.024	14%	0.138	C	C	.	.	H	α-helix	trans	-62.9	-38.2	174.8	173.2	0	0	0	0	111.5	K515 E516 S517 F522 G523 C572 R580 P581 F583	K515-V519 WeakPolarHBondContact O-CG2 3.27Å; K515-V519 PolarHBondContact O-N 2.93Å; K515-V519 VanDerWaalsContact O-N 3.07Å; E516-V519 PolarHBondContact O-N 3.44Å; S517-V519 VanDerWaalsContact C-N 3.33Å; S517-V519 PolarHBondContact O-N 2.86Å; V519-F522 WeakPolarHBondContact O-CB 3.09Å; V519-F522 PolarHBondContact O-N 3.46Å; V519-G523 PolarHBondContact O-N 3.45Å; V519-C572 HydrophobicContact CG1-CB 4.15Å; V519-R580 HydrophobicContact CB-CB 4.44Å; V519-R580 HydrophobicContact CG1-CB 3.93Å; V519-P581 HydrophobicContact CG1-CG 4.21Å; V519-P581 WeakPolarHBondContact CG1-O 3.31Å; V519-P581 WeakPolarHBondContact CG2-O 3.41Å; V519-F583 HydrophobicContact CB-CZ 4.42Å; V519-F583 HydrophobicContact CG2-CD1 4.29Å; V519-F583 HydrophobicContact CG2-CD2 3.79Å; V519-F583 HydrophobicContact CG2-CE1 4.12Å; V519-F583 HydrophobicContact CG2-CE2 3.59Å; V519-F583 HydrophobicContact CG2-CG 4.13Å; V519-F583 HydrophobicContact CG2-CZ 3.77Å
520	Y	91.9	Very high	86.1	Confident	3 Å²	3	23.2 Å²	23.2	1%	0.012	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-48.8	175.2	-176.9	-83.7	0	0	0	111.1	Y491 V492 P494 E516 S517 D518 F522 G523 T524 N553 W573	Y491-Y520 WeakPolarHBondContact O-CD1 3.45Å; V492-Y520 WeakPolarHBondContact O-CE1 3.48Å; P494-Y520 HydrophobicContact CG-CE2 4.29Å; E516-Y520 PolarHBondContact O-N 3.13Å; E516-Y520 VanDerWaalsContact O-N 3.13Å; S517-Y520 WeakPolarHBondContact O-CB 3.46Å; S517-Y520 PolarHBondContact O-N 2.63Å; D518-Y520 VanDerWaalsContact C-N 3.31Å; D518-Y520 PolarHBondContact O-N 3.45Å; Y520-F522 VanDerWaalsContact C-N 3.28Å; Y520-F522 PolarHBondContact O-N 3.41Å; Y520-G523 PolarHBondContact O-N 3.07Å; Y520-G523 VanDerWaalsContact O-N 3.09Å; Y520-T524 PolarHBondContact O-N 2.96Å; Y520-T524 VanDerWaalsContact O-N 3.11Å; Y520-N553 PolarHBondContact OH-ND2 2.74Å; Y520-W573 AromaticContact CD2-CD1 3.74Å; Y520-W573 HydrophobicContact CD2-CG 4.45Å; Y520-W573 HydrophobicContact CE2-CB 4.12Å; Y520-W573 AromaticContact CE2-CD1 3.54Å; Y520-W573 HydrophobicContact CE2-CG 4.02Å; Y520-W573 AromaticContact CZ-CD1 3.88Å
521	A	90.1	Very high	86.9	Confident	6 Å²	6	20.3 Å²	20.3	5%	0.05	11%	0.11	C	C	.	.	H	α-helix	trans	-59.1	-40	176.3	0	0	0	0	0	111.8	L451 S517 D518 T524 I525	L451-A521 HydrophobicContact CB-CB 4.23Å; S517-A521 PolarHBondContact O-N 3.26Å; S517-A521 VanDerWaalsContact O-N 3.09Å; D518-A521 PolarHBondContact O-N 3.49Å; A521-T524 WeakPolarHBondContact O-CB 3.44Å; A521-T524 PolarHBondContact O-N 3.3Å; A521-I525 WeakPolarHBondContact O-CG1 3.35Å; A521-I525 PolarHBondContact O-N 3.27Å
522	F	91.4	Very high	87.5	Confident	1 Å²	1	22.6 Å²	22.6	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-44.8	172.8	177.6	-94.4	0	0	0	112.4	V419 A420 L451 D518 V519 Y520 T524 I525 V526 F583 V586 L590	V419-F522 HydrophobicContact CB-CE2 4.12Å; V419-F522 HydrophobicContact CG1-CD2 3.84Å; V419-F522 HydrophobicContact CG1-CE2 3.89Å; A420-F522 HydrophobicContact CB-CE2 3.8Å; A420-F522 HydrophobicContact CB-CZ 3.76Å; L451-F522 HydrophobicContact CD2-CB 4.1Å; D518-F522 WeakPolarHBondContact O-CB 3.46Å; D518-F522 PolarHBondContact O-N 3.38Å; V519-F522 WeakPolarHBondContact O-CB 3.09Å; V519-F522 PolarHBondContact O-N 3.46Å; Y520-F522 VanDerWaalsContact C-N 3.28Å; Y520-F522 PolarHBondContact O-N 3.41Å; F522-T524 VanDerWaalsContact C-N 3.25Å; F522-T524 PolarHBondContact O-N 2.96Å; F522-I525 WeakPolarHBondContact O-CB 3.5Å; F522-I525 PolarHBondContact O-N 2.79Å; F522-I525 VanDerWaalsContact O-N 3.1Å; F522-V526 HydrophobicContact CD1-CG2 4.03Å; F522-V526 HydrophobicContact CE1-CG2 3.41Å; F522-V526 VanDerWaalsContact CE1-CG2 3.41Å; F522-V526 HydrophobicContact CE2-CG2 4.1Å; F522-V526 HydrophobicContact CZ-CG2 3.45Å; F522-V526 VanDerWaalsContact CZ-CG2 3.45Å; F522-V526 WeakPolarHBondContact O-CG2 3.21Å; F522-V526 PolarHBondContact O-N 3.37Å; F522-F583 HydrophobicContact CB-CE1 3.81Å; F522-F583 HydrophobicContact CB-CZ 4.22Å; F522-F583 HydrophobicContact CD1-CE1 4.4Å; F522-F583 HydrophobicContact CD2-CE1 4.21Å; F522-F583 AromaticContact CG-CE1 3.87Å; F522-F583 HydrophobicContact CG-CE1 3.87Å; F522-V586 HydrophobicContact CD1-CG1 3.99Å; F522-V586 HydrophobicContact CE1-CG1 3.32Å; F522-V586 HydrophobicContact CZ-CG1 3.89Å; F522-L590 HydrophobicContact CE1-CD1 4.34Å; F522-L590 HydrophobicContact CZ-CD1 3.8Å
523	G	92	Very high	88	Confident	1 Å²	1	24 Å²	24	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-56.1	-41.4	174.6	0	0	0	0	0	112.4	V519 Y520 V526 F527	V519-G523 PolarHBondContact O-N 3.45Å; Y520-G523 PolarHBondContact O-N 3.07Å; Y520-G523 VanDerWaalsContact O-N 3.09Å; G523-V526 PolarHBondContact O-N 3.24Å; G523-F527 PolarHBondContact O-N 2.91Å
524	T	91.8	Very high	88.6	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-64.7	-40.7	174.5	-62.7	0	0	0	0	112.5	T490 Y491 Y520 A521 F522 F527 E528 P535 W573	T490-T524 WeakPolarHBondContact O-CG2 3.13Å; T490-T524 PolarHBondContact O-OG1 2.97Å; Y491-T524 HydrophobicContact CD1-CG2 3.53Å; Y491-T524 HydrophobicContact CE1-CG2 3.64Å; Y491-T524 HydrophobicContact CG-CG2 4.18Å; Y520-T524 PolarHBondContact O-N 2.96Å; Y520-T524 VanDerWaalsContact O-N 3.11Å; A521-T524 WeakPolarHBondContact O-CB 3.44Å; A521-T524 PolarHBondContact O-N 3.3Å; F522-T524 VanDerWaalsContact C-N 3.25Å; F522-T524 PolarHBondContact O-N 2.96Å; T524-F527 WeakPolarHBondContact O-CB 3.41Å; T524-F527 PolarHBondContact O-N 2.6Å; T524-E528 VanDerWaalsContact O-CB 3.31Å; T524-E528 WeakPolarHBondContact O-CB 3.29Å; T524-E528 PolarHBondContact O-N 3.37Å; T524-P535 HydrophobicContact CG2-CG 3.96Å; T524-W573 PolarHBondContact OG1-NE1 3.3Å
525	I	91	Very high	88.8	Confident	2 Å²	2	21 Å²	21	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-42.7	175.3	-69.9	159.3	0	0	0	111.2	L396 L451 I456 Y491 A521 F522 E528 L529	L396-I525 HydrophobicContact CD2-CG2 4.07Å; L451-I525 HydrophobicContact CD1-CD1 4.03Å; L451-I525 HydrophobicContact CD2-CD1 4.07Å; L451-I525 HydrophobicContact CG-CD1 3.55Å; I456-I525 HydrophobicContact CD1-CD1 3.79Å; I456-I525 HydrophobicContact CD1-CG1 4.32Å; I456-I525 HydrophobicContact CD1-CG2 3.78Å; Y491-I525 HydrophobicContact CD1-CG1 4.18Å; Y491-I525 HydrophobicContact CE1-CG1 3.72Å; A521-I525 WeakPolarHBondContact O-CG1 3.35Å; A521-I525 PolarHBondContact O-N 3.27Å; F522-I525 WeakPolarHBondContact O-CB 3.5Å; F522-I525 PolarHBondContact O-N 2.79Å; F522-I525 VanDerWaalsContact O-N 3.1Å; I525-E528 PolarHBondContact O-N 2.99Å; I525-L529 VanDerWaalsContact O-CB 3.23Å; I525-L529 WeakPolarHBondContact O-CB 3.29Å; I525-L529 PolarHBondContact O-N 3.09Å
526	V	90.4	Very high	88.9	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-63.2	-44.3	176.6	176.8	0	0	0	0	110.2	A416 F522 G523 E528 L529 F530 L565 I569	A416-V526 HydrophobicContact CB-CG2 4.28Å; F522-V526 HydrophobicContact CD1-CG2 4.03Å; F522-V526 HydrophobicContact CE1-CG2 3.41Å; F522-V526 VanDerWaalsContact CE1-CG2 3.41Å; F522-V526 HydrophobicContact CE2-CG2 4.1Å; F522-V526 HydrophobicContact CZ-CG2 3.45Å; F522-V526 VanDerWaalsContact CZ-CG2 3.45Å; F522-V526 WeakPolarHBondContact O-CG2 3.21Å; F522-V526 PolarHBondContact O-N 3.37Å; G523-V526 PolarHBondContact O-N 3.24Å; V526-E528 PolarHBondContact O-N 3.47Å; V526-L529 PolarHBondContact O-N 3.41Å; V526-F530 HydrophobicContact CG1-CD2 4.1Å; V526-F530 HydrophobicContact CG1-CE2 4.2Å; V526-F530 VanDerWaalsContact O-CD2 3.27Å; V526-F530 WeakPolarHBondContact O-CD2 2.96Å; V526-F530 PolarHBondContact O-N 2.89Å; V526-L565 HydrophobicContact CG1-CD1 3.62Å; V526-L565 HydrophobicContact CG1-CD2 4.17Å; V526-L565 HydrophobicContact CG1-CG 4.02Å; V526-I569 HydrophobicContact CB-CG1 4.22Å; V526-I569 HydrophobicContact CG1-CD1 3.98Å; V526-I569 HydrophobicContact CG1-CG1 3.84Å
527	F	90.8	Very high	88.6	Confident	13 Å²	13	18.2 Å²	18.2	6%	0.057	9%	0.092	C	C	.	.	H	α-helix	trans	-56.4	-51.5	173.2	177.9	-82.9	0	0	0	111.5	G523 T524 L529 F530 I531 R533 P535 L555 L558 I569 W573	G523-F527 PolarHBondContact O-N 2.91Å; T524-F527 WeakPolarHBondContact O-CB 3.41Å; T524-F527 PolarHBondContact O-N 2.6Å; F527-L529 VanDerWaalsContact C-N 3.3Å; F527-L529 PolarHBondContact O-N 3Å; F527-F530 PolarHBondContact O-N 2.98Å; F527-I531 HydrophobicContact CD1-CB 4.33Å; F527-I531 HydrophobicContact CD2-CG1 4.25Å; F527-I531 HydrophobicContact CE1-CB 4.05Å; F527-I531 HydrophobicContact CE1-CG1 4.38Å; F527-I531 HydrophobicContact CE1-CG2 3.99Å; F527-I531 HydrophobicContact CE2-CG1 4.15Å; F527-I531 HydrophobicContact CG-CG1 4.47Å; F527-I531 HydrophobicContact CZ-CB 4.24Å; F527-I531 HydrophobicContact CZ-CG1 4.21Å; F527-I531 HydrophobicContact CZ-CG2 3.94Å; F527-I531 VanDerWaalsContact O-CB 3.28Å; F527-I531 WeakPolarHBondContact O-CB 2.95Å; F527-I531 WeakPolarHBondContact O-CG1 3.41Å; F527-I531 PolarHBondContact O-N 2.8Å; F527-R533 WeakPolarHBondContact CE1-O 3.44Å; F527-P535 HydrophobicContact CD1-CB 4.27Å; F527-P535 HydrophobicContact CD1-CG 3.54Å; F527-P535 HydrophobicContact CE1-CB 4.1Å; F527-P535 HydrophobicContact CE1-CG 3.85Å; F527-P535 HydrophobicContact CG-CG 4.04Å; F527-P535 HydrophobicContact CZ-CB 4.41Å; F527-L555 HydrophobicContact CD2-CD2 3.53Å; F527-L555 HydrophobicContact CE2-CD2 3.59Å; F527-L558 HydrophobicContact CD2-CD1 3.8Å; F527-L558 HydrophobicContact CE2-CD1 3.63Å; F527-L558 HydrophobicContact CE2-CD2 4.03Å; F527-L558 HydrophobicContact CE2-CG 4.44Å; F527-I569 HydrophobicContact CB-CD1 4.28Å; F527-I569 HydrophobicContact CB-CG2 4.35Å; F527-W573 HydrophobicContact CB-CH2 4.05Å; F527-W573 HydrophobicContact CB-CZ2 3.94Å; F527-W573 AromaticContact CD2-CH2 3.58Å; F527-W573 HydrophobicContact CD2-CH2 3.58Å; F527-W573 HydrophobicContact CD2-CZ2 4.34Å; F527-W573 HydrophobicContact CD2-CZ3 4.35Å; F527-W573 HydrophobicContact CE2-CH2 4.09Å; F527-W573 AromaticContact CG-CH2 3.82Å; F527-W573 HydrophobicContact CG-CH2 3.82Å; F527-W573 HydrophobicContact CG-CZ2 4.17Å
528	E	90.7	Very high	88.5	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59	-41.2	-178.4	-176.4	-174.1	-177.9	0	0	111.9	L400 H401 S453 Y491 T524 I525 V526 C532	L400-E528 HydrophobicContact CD1-CG 4.12Å; H401-E528 IonicContact CD2-OE1 3.43Å; H401-E528 PolarHBondContact CD2-OE1 3.33Å; H401-E528 IonicContact CE1-OE1 3.52Å; H401-E528 IonicContact NE2-OE1 2.68Å; H401-E528 PolarHBondContact NE2-OE1 3.46Å; S453-E528 VanDerWaalsContact CB-OE1 3.26Å; S453-E528 WeakPolarHBondContact CB-OE1 3.47Å; S453-E528 WeakPolarHBondContact CB-OE2 3.46Å; S453-E528 VanDerWaalsContact OG-CD 3.29Å; S453-E528 PolarHBondContact OG-OE1 3.07Å; S453-E528 PolarHBondContact OG-OE2 3.31Å; Y491-E528 VanDerWaalsContact OH-CD 3.26Å; Y491-E528 PolarHBondContact OH-OE1 3.15Å; Y491-E528 PolarHBondContact OH-OE2 3.24Å; T524-E528 VanDerWaalsContact O-CB 3.31Å; T524-E528 WeakPolarHBondContact O-CB 3.29Å; T524-E528 PolarHBondContact O-N 3.37Å; I525-E528 PolarHBondContact O-N 2.99Å; V526-E528 PolarHBondContact O-N 3.47Å; E528-C532 WeakPolarHBondContact O-CA 3.3Å; E528-C532 PolarHBondContact O-N 3.38Å
529	L	89	Confident	88.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.1	-41	-179.8	-176.4	64.9	0	0	0	112.7	L396 L400 L407 K412 I415 A416 I525 V526 F527	L396-L529 HydrophobicContact CD1-CD1 3.69Å; L396-L529 HydrophobicContact CD2-CD1 4.36Å; L400-L529 HydrophobicContact CD1-CD1 4.38Å; L407-L529 HydrophobicContact CD1-CD1 4.17Å; K412-L529 HydrophobicContact CB-CD1 4.42Å; K412-L529 HydrophobicContact CB-CD2 4.03Å; K412-L529 HydrophobicContact CB-CG 3.92Å; K412-L529 HydrophobicContact CD-CG 4.48Å; K412-L529 WeakPolarHBondContact CD-O 3.4Å; K412-L529 VanDerWaalsContact CE-O 3.26Å; K412-L529 WeakPolarHBondContact CE-O 3.48Å; K412-L529 HydrophobicContact CG-CD1 4.11Å; K412-L529 HydrophobicContact CG-CG 3.98Å; K412-L529 PolarHBondContact NZ-O 3.03Å; K412-L529 WeakPolarHBondContact O-CD2 3.47Å; I415-L529 HydrophobicContact CB-CD2 4.22Å; I415-L529 HydrophobicContact CD1-CD1 4.46Å; I415-L529 HydrophobicContact CG2-CD2 4.17Å; A416-L529 HydrophobicContact CB-CD2 4.11Å; I525-L529 VanDerWaalsContact O-CB 3.23Å; I525-L529 WeakPolarHBondContact O-CB 3.29Å; I525-L529 PolarHBondContact O-N 3.09Å; V526-L529 PolarHBondContact O-N 3.41Å; F527-L529 VanDerWaalsContact C-N 3.3Å; F527-L529 PolarHBondContact O-N 3Å
530	F	87.2	Confident	88.2	Confident	21 Å²	21	28.6 Å²	28.6	9%	0.092	15%	0.15	C	C	.	.	H	α-helix	trans	-85.1	-34.4	-177.3	-77.3	-97.5	0	0	0	112.8	K412 L413 V526 F527 I561 L565	K412-F530 HydrophobicContact CB-CE1 4.09Å; K412-F530 HydrophobicContact CB-CE2 4.09Å; K412-F530 HydrophobicContact CB-CZ 3.81Å; K412-F530 HydrophobicContact CD-CD1 4.28Å; K412-F530 HydrophobicContact CD-CE1 4.48Å; K412-F530 HydrophobicContact CD-CG 4.48Å; K412-F530 PolarHBondContact NZ-O 3.15Å; L413-F530 HydrophobicContact CD2-CE1 4.42Å; L413-F530 HydrophobicContact CD2-CZ 3.71Å; L413-F530 HydrophobicContact CG-CE1 4.38Å; L413-F530 HydrophobicContact CG-CZ 3.86Å; V526-F530 HydrophobicContact CG1-CD2 4.1Å; V526-F530 HydrophobicContact CG1-CE2 4.2Å; V526-F530 VanDerWaalsContact O-CD2 3.27Å; V526-F530 WeakPolarHBondContact O-CD2 2.96Å; V526-F530 PolarHBondContact O-N 2.89Å; F527-F530 PolarHBondContact O-N 2.98Å; F530-I561 HydrophobicContact CB-CD1 3.63Å; F530-I561 HydrophobicContact CB-CG1 4.18Å; F530-I561 HydrophobicContact CG-CD1 4.47Å; F530-L565 HydrophobicContact CB-CD2 4.41Å; F530-L565 HydrophobicContact CD1-CD2 3.59Å; F530-L565 HydrophobicContact CD2-CD2 3.52Å; F530-L565 HydrophobicContact CE1-CD2 3.59Å; F530-L565 HydrophobicContact CE2-CD2 3.51Å; F530-L565 HydrophobicContact CG-CD2 3.55Å; F530-L565 HydrophobicContact CZ-CD2 3.55Å
531	I	86	Confident	87.8	Confident	29 Å²	29	30.7 Å²	30.7	15%	0.149	17%	0.168	C	C	.	.	H	α-helix	trans	-97.3	-13.5	-175.5	-57.3	-58.2	0	0	0	112.6	F527 R533 L558 I561	F527-I531 HydrophobicContact CD1-CB 4.33Å; F527-I531 HydrophobicContact CD2-CG1 4.25Å; F527-I531 HydrophobicContact CE1-CB 4.05Å; F527-I531 HydrophobicContact CE1-CG1 4.38Å; F527-I531 HydrophobicContact CE1-CG2 3.99Å; F527-I531 HydrophobicContact CE2-CG1 4.15Å; F527-I531 HydrophobicContact CG-CG1 4.47Å; F527-I531 HydrophobicContact CZ-CB 4.24Å; F527-I531 HydrophobicContact CZ-CG1 4.21Å; F527-I531 HydrophobicContact CZ-CG2 3.94Å; F527-I531 VanDerWaalsContact O-CB 3.28Å; F527-I531 WeakPolarHBondContact O-CB 2.95Å; F527-I531 WeakPolarHBondContact O-CG1 3.41Å; F527-I531 PolarHBondContact O-N 2.8Å; I531-R533 HydrophobicContact CB-CG 4.31Å; I531-R533 HydrophobicContact CG2-CG 3.36Å; I531-R533 PolarHBondContact O-N 3.49Å; I531-L558 HydrophobicContact CD1-CB 4.1Å; I531-L558 HydrophobicContact CD1-CD1 3.91Å; I531-L558 HydrophobicContact CD1-CD2 4.12Å; I531-L558 HydrophobicContact CD1-CG 4.28Å; I531-L558 HydrophobicContact CG1-CD1 3.82Å; I531-L558 HydrophobicContact CG1-CD2 4.35Å; I531-I561 HydrophobicContact CD1-CD1 3.47Å; I531-I561 VanDerWaalsContact CD1-CD1 3.47Å; I531-I561 HydrophobicContact CD1-CG1 3.85Å; I531-I561 HydrophobicContact CG1-CD1 3.76Å
532	C	85.2	Confident	87.5	Confident	54 Å²	54	35.1 Å²	35.1	37%	0.365	19%	0.191	S	C	.	.	S	Bend	trans	54.7	30.5	-179.6	-55.6	0	0	0	0	113.4	K412 E528	K412-C532 PolarHBondContact NZ-SG 3.42Å; E528-C532 WeakPolarHBondContact O-CA 3.3Å; E528-C532 PolarHBondContact O-N 3.38Å
533	R	86.1	Confident	87.3	Confident	143 Å²	143	38.6 Å²	38.6	54%	0.54	21%	0.207	S	C	.	.	S	Bend	trans	-151.4	157.8	173.8	56.6	176.2	148.7	145.4	2	109.5	F527 I531	F527-R533 WeakPolarHBondContact CE1-O 3.44Å; I531-R533 HydrophobicContact CB-CG 4.31Å; I531-R533 HydrophobicContact CG2-CG 3.36Å; I531-R533 PolarHBondContact O-N 3.49Å
534	F	86.8	Confident	87.1	Confident	16 Å²	16	39.3 Å²	39.3	7%	0.07	21%	0.211	C	C	.	.			trans	-65.2	145.8	169.9	-67.6	-71.1	0	0	0	111.5	Y397 H401 T490 Y491 A537	Y397-F534 HydrophobicContact CD2-CZ 4.01Å; Y397-F534 HydrophobicContact CE2-CE2 4.04Å; Y397-F534 AromaticContact CE2-CZ 3.73Å; Y397-F534 HydrophobicContact CE2-CZ 3.73Å; H401-F534 AromaticContact CE1-CE2 3.77Å; H401-F534 AromaticContact NE2-CE2 3.82Å; H401-F534 AromaticContact NE2-CZ 3.75Å; T490-F534 HydrophobicContact CG2-CB 4.37Å; Y491-F534 HydrophobicContact CE2-CE1 4.04Å; Y491-F534 AromaticContact CZ-CE1 3.99Å; Y491-F534 WeakPolarHBondContact OH-CE1 3.35Å; F534-A537 HydrophobicContact CB-CB 4.28Å; F534-A537 WeakPolarHBondContact O-CB 3.35Å
535	P	87	Confident	86.8	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.026	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	140.8	165.2	-19.1	29	0	0	0	109.9	T524 F527 A537 W573	T524-P535 HydrophobicContact CG2-CG 3.96Å; F527-P535 HydrophobicContact CD1-CB 4.27Å; F527-P535 HydrophobicContact CD1-CG 3.54Å; F527-P535 HydrophobicContact CE1-CB 4.1Å; F527-P535 HydrophobicContact CE1-CG 3.85Å; F527-P535 HydrophobicContact CG-CG 4.04Å; F527-P535 HydrophobicContact CZ-CB 4.41Å; P535-A537 PolarHBondContact O-N 2.92Å; P535-W573 HydrophobicContact CB-CH2 3.81Å; P535-W573 HydrophobicContact CB-CZ2 4.12Å; P535-W573 HydrophobicContact CG-CH2 3.7Å; P535-W573 HydrophobicContact CG-CZ2 3.59Å
536	H	85.3	Confident	86.6	Confident	42 Å²	42	45.6 Å²	45.6	19%	0.194	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	35.1	173.2	-49.5	-54.3	0	0	0	114.3	D538 L539 L544 F547 N553	H536-D538 PolarHBondContact O-N 2.9Å; H536-L539 HydrophobicContact CB-CB 4.44Å; H536-L539 HydrophobicContact CB-CD1 3.76Å; H536-L539 HydrophobicContact CB-CG 3.97Å; H536-L539 PolarHBondContact O-N 3.3Å; H536-L544 HydrophobicContact CB-CD1 3.96Å; H536-F547 AromaticContact CE1-CE1 3.36Å; H536-F547 WeakPolarHBondContact CE1-CE1 3.23Å; H536-F547 AromaticContact ND1-CE1 3.89Å; H536-F547 AromaticContact NE2-CD1 3.96Å; H536-F547 AromaticContact NE2-CE1 3.49Å; H536-F547 WeakPolarHBondContact NE2-CE1 3.37Å; H536-N553 PolarHBondContact NE2-OD1 2.96Å
537	A	83.6	Confident	86.4	Confident	29 Å²	29	47.7 Å²	47.7	24%	0.24	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-7.7	-175.1	0	0	0	0	0	115	R486 F534 P535	R486-A537 PolarHBondContact NH2-O 3.14Å; F534-A537 HydrophobicContact CB-CB 4.28Å; F534-A537 WeakPolarHBondContact O-CB 3.35Å; P535-A537 PolarHBondContact O-N 2.92Å
538	D	83.6	Confident	86.3	Confident	135 Å²	135	47.2 Å²	47.2	72%	0.722	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-16	175.4	57.1	-55.3	0	0	0	114.5	H536	H536-D538 PolarHBondContact O-N 2.9Å
539	L	86	Confident	86.1	Confident	54 Å²	54	48.6 Å²	48.6	28%	0.283	25%	0.253	S	S	.	.	S	Bend	trans	-79.6	148.8	173.9	-58.6	-174	0	0	0	111.3	H536 E543 L544 F547	H536-L539 HydrophobicContact CB-CB 4.44Å; H536-L539 HydrophobicContact CB-CD1 3.76Å; H536-L539 HydrophobicContact CB-CG 3.97Å; H536-L539 PolarHBondContact O-N 3.3Å; L539-E543 HydrophobicContact CB-CB 4.07Å; L539-E543 HydrophobicContact CD2-CB 4.41Å; L539-L544 HydrophobicContact CB-CB 4.41Å; L539-F547 HydrophobicContact CD1-CB 4.1Å; L539-F547 HydrophobicContact CD1-CD1 4.31Å; L539-F547 HydrophobicContact CD1-CG 4.1Å
540	S	85.7	Confident	85.8	Confident	44 Å²	44	51.3 Å²	51.3	31%	0.308	27%	0.272	S	S	.	.			trans	-70.4	168	164.3	63	0	0	0	0	111.4	D542 E543 L544	S540-D542 VanDerWaalsContact C-N 3.34Å; S540-D542 PolarHBondContact O-N 2.99Å; S540-E543 WeakPolarHBondContact CB-OE2 3.44Å; S540-E543 PolarHBondContact N-OE2 2.89Å; S540-E543 PolarHBondContact O-N 3.43Å; S540-E543 WeakPolarHBondContact OG-CB 3.37Å; S540-E543 WeakPolarHBondContact OG-CG 3.15Å; S540-E543 PolarHBondContact OG-N 3.23Å; S540-E543 PolarHBondContact OG-OE2 3.43Å; S540-L544 VanDerWaalsContact O-CB 3.29Å; S540-L544 WeakPolarHBondContact O-CB 3.44Å; S540-L544 PolarHBondContact O-N 3.41Å
541	A	84.5	Confident	85.5	Confident	48 Å²	48	51.8 Å²	51.8	40%	0.397	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-44.9	179.6	0	0	0	0	0	111.8	L489 L544 I545	L489-A541 HydrophobicContact CD1-CB 3.8Å; A541-L544 PolarHBondContact O-N 2.91Å; A541-I545 VanDerWaalsContact O-CG1 3.24Å; A541-I545 WeakPolarHBondContact O-CG1 3.49Å; A541-I545 PolarHBondContact O-N 3.33Å
542	D	84.4	Confident	85.2	Confident	98 Å²	98	56.7 Å²	56.7	52%	0.524	30%	0.299	S	S	.	.	H	α-helix	trans	-67.6	-42.7	-179.2	-49.4	-55.4	0	0	0	111.7	S540 L544 I545 W546	S540-D542 VanDerWaalsContact C-N 3.34Å; S540-D542 PolarHBondContact O-N 2.99Å; D542-L544 VanDerWaalsContact C-N 3.34Å; D542-L544 PolarHBondContact O-N 3.45Å; D542-I545 PolarHBondContact O-N 2.93Å; D542-W546 PolarHBondContact O-N 3.07Å
543	E	86.8	Confident	84.8	Confident	75 Å²	75	55 Å²	55	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-42	174.3	-73.7	167.9	140.6	0	0	111.4	L539 S540 W546 F547	L539-E543 HydrophobicContact CB-CB 4.07Å; L539-E543 HydrophobicContact CD2-CB 4.41Å; S540-E543 WeakPolarHBondContact CB-OE2 3.44Å; S540-E543 PolarHBondContact N-OE2 2.89Å; S540-E543 PolarHBondContact O-N 3.43Å; S540-E543 WeakPolarHBondContact OG-CB 3.37Å; S540-E543 WeakPolarHBondContact OG-CG 3.15Å; S540-E543 PolarHBondContact OG-N 3.23Å; S540-E543 PolarHBondContact OG-OE2 3.43Å; E543-W546 PolarHBondContact O-N 3.24Å; E543-F547 WeakPolarHBondContact O-CB 3.42Å; E543-F547 PolarHBondContact O-N 2.76Å
544	L	87.3	Confident	84.1	Confident	15 Å²	15	52.7 Å²	52.7	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-46.2	176.7	176.4	65.7	0	0	0	111.2	L489 T490 H536 L539 S540 A541 D542 W546 F547 V548	L489-L544 HydrophobicContact CB-CD2 3.72Å; T490-L544 HydrophobicContact CG2-CD2 3.83Å; H536-L544 HydrophobicContact CB-CD1 3.96Å; L539-L544 HydrophobicContact CB-CB 4.41Å; S540-L544 VanDerWaalsContact O-CB 3.29Å; S540-L544 WeakPolarHBondContact O-CB 3.44Å; S540-L544 PolarHBondContact O-N 3.41Å; A541-L544 PolarHBondContact O-N 2.91Å; D542-L544 VanDerWaalsContact C-N 3.34Å; D542-L544 PolarHBondContact O-N 3.45Å; L544-W546 VanDerWaalsContact C-N 3.35Å; L544-W546 PolarHBondContact O-N 3.03Å; L544-F547 PolarHBondContact O-N 3.33Å; L544-V548 HydrophobicContact CD1-CG2 3.87Å; L544-V548 HydrophobicContact CG-CG2 4.4Å; L544-V548 WeakPolarHBondContact O-CB 3.36Å; L544-V548 WeakPolarHBondContact O-CG2 3.27Å; L544-V548 PolarHBondContact O-N 3.45Å
545	I	86.4	Confident	83.4	Confident	31 Å²	31	53.1 Å²	53.1	16%	0.159	29%	0.291	C	S	.	.	H	α-helix	trans	-56.7	-52.1	178.3	-71.6	163.3	0	0	0	109.9	L489 M497 L500 A541 D542 F547 V548 C549	L489-I545 HydrophobicContact CD1-CD1 4.17Å; L489-I545 HydrophobicContact CD1-CG1 4.22Å; M497-I545 HydrophobicContact CG-CB 4.49Å; M497-I545 HydrophobicContact CG-CG1 4.22Å; M497-I545 HydrophobicContact CG-CG2 4.12Å; M497-I545 VanDerWaalsContact SD-CA 3.58Å; M497-I545 HydrophobicContact SD-CB 4.21Å; M497-I545 HydrophobicContact SD-CG1 4.09Å; M497-I545 HydrophobicContact SD-CG2 4.35Å; L500-I545 HydrophobicContact CD1-CD1 4.22Å; A541-I545 VanDerWaalsContact O-CG1 3.24Å; A541-I545 WeakPolarHBondContact O-CG1 3.49Å; A541-I545 PolarHBondContact O-N 3.33Å; D542-I545 PolarHBondContact O-N 2.93Å; I545-F547 VanDerWaalsContact C-N 3.34Å; I545-F547 PolarHBondContact O-N 2.88Å; I545-V548 PolarHBondContact O-N 3.23Å; I545-C549 VanDerWaalsContact O-CB 3.26Å; I545-C549 WeakPolarHBondContact O-CB 3.48Å; I545-C549 PolarHBondContact O-N 2.64Å; I545-C549 PolarHBondContact O-SG 3.3Å; I545-C549 VanDerWaalsContact O-SG 3.34Å
546	W	85.9	Confident	82.4	Confident	104 Å²	104	58.6 Å²	58.6	39%	0.394	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-42.5	178.6	-178.5	86	0	0	0	112.6	D542 E543 L544 S550	D542-W546 PolarHBondContact O-N 3.07Å; E543-W546 PolarHBondContact O-N 3.24Å; L544-W546 VanDerWaalsContact C-N 3.35Å; L544-W546 PolarHBondContact O-N 3.03Å; W546-S550 WeakPolarHBondContact O-CB 3.34Å; W546-S550 PolarHBondContact O-N 3.08Å; W546-S550 PolarHBondContact O-OG 3.46Å
547	F	87.2	Confident	81.2	Confident	47 Å²	47	61 Å²	61	21%	0.206	35%	0.347	C	S	.	.	H	α-helix	trans	-62.9	-44.5	-178.3	-171.3	-102	0	0	0	112.4	H536 L539 E543 L544 I545 R552	H536-F547 AromaticContact CE1-CE1 3.36Å; H536-F547 WeakPolarHBondContact CE1-CE1 3.23Å; H536-F547 AromaticContact ND1-CE1 3.89Å; H536-F547 AromaticContact NE2-CD1 3.96Å; H536-F547 AromaticContact NE2-CE1 3.49Å; H536-F547 WeakPolarHBondContact NE2-CE1 3.37Å; L539-F547 HydrophobicContact CD1-CB 4.1Å; L539-F547 HydrophobicContact CD1-CD1 4.31Å; L539-F547 HydrophobicContact CD1-CG 4.1Å; E543-F547 WeakPolarHBondContact O-CB 3.42Å; E543-F547 PolarHBondContact O-N 2.76Å; L544-F547 PolarHBondContact O-N 3.33Å; I545-F547 VanDerWaalsContact C-N 3.34Å; I545-F547 PolarHBondContact O-N 2.88Å; F547-R552 HydrophobicContact CD2-CB 3.86Å; F547-R552 HydrophobicContact CE1-CB 4.48Å; F547-R552 WeakPolarHBondContact CE1-O 3.47Å; F547-R552 HydrophobicContact CE2-CB 3.66Å; F547-R552 HydrophobicContact CG-CB 4.36Å; F547-R552 HydrophobicContact CZ-CB 4.01Å; F547-R552 WeakPolarHBondContact CZ-O 3.44Å; F547-R552 PolarHBondContact O-N 3.12Å; F547-R552 VanDerWaalsContact O-N 3.16Å
548	V	87	Confident	80.3	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.012	34%	0.341	C	S	.	.	H	α-helix	trans	-69.8	-48.2	177.7	173.1	0	0	0	0	110.8	P494 M497 L544 I545 S550 G551 N553	P494-V548 HydrophobicContact CB-CG1 4.3Å; P494-V548 HydrophobicContact CG-CG1 3.79Å; M497-V548 HydrophobicContact CE-CB 4.32Å; M497-V548 HydrophobicContact CE-CG1 4.16Å; M497-V548 HydrophobicContact CE-CG2 4.45Å; M497-V548 HydrophobicContact SD-CB 3.66Å; M497-V548 HydrophobicContact SD-CG1 3.74Å; M497-V548 HydrophobicContact SD-CG2 4.32Å; L544-V548 HydrophobicContact CD1-CG2 3.87Å; L544-V548 HydrophobicContact CG-CG2 4.4Å; L544-V548 WeakPolarHBondContact O-CB 3.36Å; L544-V548 WeakPolarHBondContact O-CG2 3.27Å; L544-V548 PolarHBondContact O-N 3.45Å; I545-V548 PolarHBondContact O-N 3.23Å; V548-S550 VanDerWaalsContact C-N 3.28Å; V548-S550 PolarHBondContact O-N 3.2Å; V548-G551 PolarHBondContact O-N 2.97Å; V548-N553 HydrophobicContact CG2-CB 4.48Å
549	C	86.3	Confident	79	Confident	30 Å²	30	63.4 Å²	63.4	20%	0.203	35%	0.351	C	S	.	.	H	α-helix	trans	-64.6	-30.9	-178.7	-73.1	0	0	0	0	113.4	R498 I545 G551	R498-C549 PolarHBondContact NH2-O 3.16Å; I545-C549 VanDerWaalsContact O-CB 3.26Å; I545-C549 WeakPolarHBondContact O-CB 3.48Å; I545-C549 PolarHBondContact O-N 2.64Å; I545-C549 PolarHBondContact O-SG 3.3Å; I545-C549 VanDerWaalsContact O-SG 3.34Å; C549-G551 PolarHBondContact O-N 3.34Å
550	S	84.1	Confident	78	Confident	56 Å²	56	64.3 Å²	64.3	39%	0.392	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-2.1	175.2	-60.4	0	0	0	0	113.7	W546 V548 R552	W546-S550 WeakPolarHBondContact O-CB 3.34Å; W546-S550 PolarHBondContact O-N 3.08Å; W546-S550 PolarHBondContact O-OG 3.46Å; V548-S550 VanDerWaalsContact C-N 3.28Å; V548-S550 PolarHBondContact O-N 3.2Å; S550-R552 PolarHBondContact O-N 3.17Å
551	G	81.5	Confident	77.5	Confident	31 Å²	31	63.1 Å²	63.1	32%	0.32	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	17.9	-178.2	0	0	0	0	0	114.5	V548 C549 N553 V575	V548-G551 PolarHBondContact O-N 2.97Å; C549-G551 PolarHBondContact O-N 3.34Å; G551-N553 VanDerWaalsContact C-N 3.28Å; G551-V575 VanDerWaalsContact CA-CG2 3.41Å
552	R	78.1	Confident	77.4	Confident	132 Å²	132	66.3 Å²	66.3	50%	0.498	37%	0.369	S	S	.	.			trans	-88.4	3.8	-179.7	-62.9	-176.4	-175.8	176.5	4.1	113.1	F547 S550 T554	F547-R552 HydrophobicContact CD2-CB 3.86Å; F547-R552 HydrophobicContact CE1-CB 4.48Å; F547-R552 WeakPolarHBondContact CE1-O 3.47Å; F547-R552 HydrophobicContact CE2-CB 3.66Å; F547-R552 HydrophobicContact CG-CB 4.36Å; F547-R552 HydrophobicContact CZ-CB 4.01Å; F547-R552 WeakPolarHBondContact CZ-O 3.44Å; F547-R552 PolarHBondContact O-N 3.12Å; F547-R552 VanDerWaalsContact O-N 3.16Å; S550-R552 PolarHBondContact O-N 3.17Å; R552-T554 PolarHBondContact O-N 3.19Å; R552-T554 PolarHBondContact O-OG1 3.04Å
553	N	78.1	Confident	77.3	Confident	19 Å²	19	66.7 Å²	66.7	10%	0.102	38%	0.376	C	S	.	.			trans	-68.2	77.3	179.2	-170	18.3	0	0	0	111.6	Y520 H536 V548 G551	Y520-N553 PolarHBondContact OH-ND2 2.74Å; H536-N553 PolarHBondContact NE2-OD1 2.96Å; V548-N553 HydrophobicContact CG2-CB 4.48Å; G551-N553 VanDerWaalsContact C-N 3.28Å
554	T	71	Confident	77.2	Confident	94 Å²	94	68.7 Å²	68.7	58%	0.577	39%	0.386	S	S	*	.			trans	-109.7	143.1	178.6	57.8	0	0	0	0	110.5	R552 T556	R552-T554 PolarHBondContact O-N 3.19Å; R552-T554 PolarHBondContact O-OG1 3.04Å; T554-T556 PolarHBondContact O-N 3.44Å
555	L	72.6	Confident	77.2	Confident	25 Å²	25	68.1 Å²	68.1	13%	0.131	38%	0.383	C	S	.	.			trans	-73.4	123.8	170.1	-71	162.3	0	0	0	108.3	F527 L558 E566 I569 T570 W573	F527-L555 HydrophobicContact CD2-CD2 3.53Å; F527-L555 HydrophobicContact CE2-CD2 3.59Å; L555-L558 HydrophobicContact CD2-CD1 3.66Å; L555-L558 HydrophobicContact CD2-CG 4.31Å; L555-E566 HydrophobicContact CD1-CG 4.12Å; L555-I569 HydrophobicContact CD1-CB 3.7Å; L555-I569 HydrophobicContact CD1-CG2 3.65Å; L555-I569 HydrophobicContact CD2-CG2 4.3Å; L555-I569 HydrophobicContact CG-CG2 4.41Å; L555-T570 WeakPolarHBondContact CD1-OG1 3.37Å; L555-W573 HydrophobicContact CD1-CZ3 4.4Å; L555-W573 HydrophobicContact CD2-CE3 4.21Å; L555-W573 HydrophobicContact CD2-CH2 3.89Å; L555-W573 HydrophobicContact CD2-CZ3 3.36Å; L555-W573 HydrophobicContact CG-CE3 4.03Å; L555-W573 HydrophobicContact CG-CZ3 3.65Å
556	T	65.2	Low	77.2	Confident	120 Å²	120	68.7 Å²	68.7	74%	0.736	39%	0.385	S	S	*	.			trans	-75.2	130.7	158.6	-49.7	0	0	0	0	106.9	T554 L558	T554-T556 PolarHBondContact O-N 3.44Å; T556-L558 WeakPolarHBondContact O-CD2 3.39Å; T556-L558 WeakPolarHBondContact O-CG 3.36Å; T556-L558 PolarHBondContact O-N 3.37Å
557	S	60.7	Low	77.4	Confident	93 Å²	93	66.3 Å²	66.3	65%	0.65	38%	0.384	S	S	*	.			trans	-39.4	114.1	-176.8	-173	0	0	0	0	111.8	M559 E566	S557-M559 PolarHBondContact O-N 3.34Å; S557-E566 WeakPolarHBondContact CA-OE1 3.44Å
558	L	64.2	Low	77.6	Confident	21 Å²	21	64.2 Å²	64.2	11%	0.11	38%	0.375	C	S	.	.			trans	-89.3	107.6	-169.1	-68.7	174.9	0	0	0	109	F527 I531 L555 T556 G560 I561	F527-L558 HydrophobicContact CD2-CD1 3.8Å; F527-L558 HydrophobicContact CE2-CD1 3.63Å; F527-L558 HydrophobicContact CE2-CD2 4.03Å; F527-L558 HydrophobicContact CE2-CG 4.44Å; I531-L558 HydrophobicContact CD1-CB 4.1Å; I531-L558 HydrophobicContact CD1-CD1 3.91Å; I531-L558 HydrophobicContact CD1-CD2 4.12Å; I531-L558 HydrophobicContact CD1-CG 4.28Å; I531-L558 HydrophobicContact CG1-CD1 3.82Å; I531-L558 HydrophobicContact CG1-CD2 4.35Å; L555-L558 HydrophobicContact CD2-CD1 3.66Å; L555-L558 HydrophobicContact CD2-CG 4.31Å; T556-L558 WeakPolarHBondContact O-CD2 3.39Å; T556-L558 WeakPolarHBondContact O-CG 3.36Å; T556-L558 PolarHBondContact O-N 3.37Å; L558-G560 PolarHBondContact O-N 2.53Å; L558-G560 VanDerWaalsContact O-N 3.16Å; L558-I561 HydrophobicContact CB-CB 4.23Å; L558-I561 HydrophobicContact CB-CD1 4.12Å; L558-I561 HydrophobicContact CB-CG1 4.13Å; L558-I561 HydrophobicContact CD1-CD1 3.63Å; L558-I561 PolarHBondContact O-N 2.74Å
559	M	55.7	Low	77.8	Confident	193 Å²	193	64.1 Å²	64.1	95%	0.951	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	124.2	173.5	-74	-156.5	-119.8	0	0	110.8	S557	S557-M559 PolarHBondContact O-N 3.34Å
560	G	65.4	Low	78	Confident	73 Å²	73	66.1 Å²	66.1	75%	0.753	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-1.2	175.3	0	0	0	0	0	116	L558	L558-G560 PolarHBondContact O-N 2.53Å; L558-G560 VanDerWaalsContact O-N 3.16Å
561	I	76.2	Confident	78.4	Confident	18 Å²	18	68.3 Å²	68.3	9%	0.092	39%	0.388	C	S	.	.	S	Bend	trans	-96	138.4	172.7	-66.3	-161.7	0	0	0	110.8	F530 I531 L558 L565 E566	F530-I561 HydrophobicContact CB-CD1 3.63Å; F530-I561 HydrophobicContact CB-CG1 4.18Å; F530-I561 HydrophobicContact CG-CD1 4.47Å; I531-I561 HydrophobicContact CD1-CD1 3.47Å; I531-I561 VanDerWaalsContact CD1-CD1 3.47Å; I531-I561 HydrophobicContact CD1-CG1 3.85Å; I531-I561 HydrophobicContact CG1-CD1 3.76Å; L558-I561 HydrophobicContact CB-CB 4.23Å; L558-I561 HydrophobicContact CB-CD1 4.12Å; L558-I561 HydrophobicContact CB-CG1 4.13Å; L558-I561 HydrophobicContact CD1-CD1 3.63Å; L558-I561 PolarHBondContact O-N 2.74Å; I561-L565 HydrophobicContact CG2-CB 3.75Å; I561-L565 HydrophobicContact CG2-CD2 3.88Å; I561-L565 HydrophobicContact CG2-CG 4.13Å; I561-E566 HydrophobicContact CG2-CB 4.31Å
562	K	81.3	Confident	78.9	Confident	116 Å²	116	66.8 Å²	66.8	50%	0.504	37%	0.373	S	S	.	.			trans	-63	136.4	173.2	-69.1	-176.7	178.2	179.6	0	109.8	Q564 L565 E566	K562-Q564 PolarHBondContact O-N 2.93Å; K562-L565 WeakPolarHBondContact O-CA 3.41Å; K562-L565 WeakPolarHBondContact O-CB 3.36Å; K562-L565 PolarHBondContact O-N 3.42Å; K562-E566 PolarHBondContact O-N 3.17Å
563	P	83.6	Confident	79.6	Confident	105 Å²	105	61 Å²	61	68%	0.682	35%	0.351	S	S	*	.	H	α-helix	trans	-53.8	-34.5	-179.2	-28.2	34.1	0	0	0	114.2	L565 E566 S567	P563-L565 VanDerWaalsContact C-N 3.29Å; P563-L565 PolarHBondContact O-N 3.46Å; P563-E566 PolarHBondContact O-N 2.97Å; P563-S567 WeakPolarHBondContact O-CB 3.28Å; P563-S567 PolarHBondContact O-N 3.01Å
564	Q	84.7	Confident	80.2	Confident	117 Å²	117	61.5 Å²	61.5	55%	0.547	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-35.3	176.1	-67.8	179.1	-33.1	0	0	112.6	K562 L568 M593	K562-Q564 PolarHBondContact O-N 2.93Å; Q564-L568 PolarHBondContact O-N 2.91Å; Q564-L568 VanDerWaalsContact O-N 3.09Å; Q564-M593 HydrophobicContact CB-CE 3.31Å
565	L	86.1	Confident	81.1	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-78	-38.4	179	-170.3	71.4	0	0	0	111.2	V526 F530 I561 K562 P563 S567 L568 I569 L590 M593	V526-L565 HydrophobicContact CG1-CD1 3.62Å; V526-L565 HydrophobicContact CG1-CD2 4.17Å; V526-L565 HydrophobicContact CG1-CG 4.02Å; F530-L565 HydrophobicContact CB-CD2 4.41Å; F530-L565 HydrophobicContact CD1-CD2 3.59Å; F530-L565 HydrophobicContact CD2-CD2 3.52Å; F530-L565 HydrophobicContact CE1-CD2 3.59Å; F530-L565 HydrophobicContact CE2-CD2 3.51Å; F530-L565 HydrophobicContact CG-CD2 3.55Å; F530-L565 HydrophobicContact CZ-CD2 3.55Å; I561-L565 HydrophobicContact CG2-CB 3.75Å; I561-L565 HydrophobicContact CG2-CD2 3.88Å; I561-L565 HydrophobicContact CG2-CG 4.13Å; K562-L565 WeakPolarHBondContact O-CA 3.41Å; K562-L565 WeakPolarHBondContact O-CB 3.36Å; K562-L565 PolarHBondContact O-N 3.42Å; P563-L565 VanDerWaalsContact C-N 3.29Å; P563-L565 PolarHBondContact O-N 3.46Å; L565-S567 VanDerWaalsContact C-N 3.31Å; L565-S567 PolarHBondContact O-N 3.31Å; L565-L568 HydrophobicContact CD1-CD2 4.18Å; L565-L568 WeakPolarHBondContact O-CB 3.46Å; L565-L568 PolarHBondContact O-N 3.12Å; L565-I569 HydrophobicContact CG-CD1 4.4Å; L565-I569 WeakPolarHBondContact O-CG1 3.31Å; L565-I569 PolarHBondContact O-N 3.48Å; L565-L590 HydrophobicContact CD1-CD2 4.17Å; L565-M593 HydrophobicContact CB-CE 4.04Å; L565-M593 HydrophobicContact CD1-CE 4.29Å; L565-M593 HydrophobicContact CD1-SD 4.17Å
566	E	87.7	Confident	81.9	Confident	42 Å²	42	59.8 Å²	59.8	20%	0.196	35%	0.349	C	S	.	.	H	α-helix	trans	-59.4	-43.8	171.4	-176.6	176.1	-175.4	0	0	111.2	L555 S557 I561 K562 P563 L568 I569 T570	L555-E566 HydrophobicContact CD1-CG 4.12Å; S557-E566 WeakPolarHBondContact CA-OE1 3.44Å; I561-E566 HydrophobicContact CG2-CB 4.31Å; K562-E566 PolarHBondContact O-N 3.17Å; P563-E566 PolarHBondContact O-N 2.97Å; E566-L568 VanDerWaalsContact C-N 3.33Å; E566-L568 PolarHBondContact O-N 3.37Å; E566-I569 PolarHBondContact O-N 3.2Å; E566-T570 WeakPolarHBondContact O-CB 3.43Å; E566-T570 PolarHBondContact O-N 3.4Å; E566-T570 PolarHBondContact O-OG1 3.18Å
567	S	89.6	Confident	83.1	Confident	55 Å²	55	55.8 Å²	55.8	39%	0.385	33%	0.325	S	S	.	.	H	α-helix	trans	-60.6	-41.4	173.7	-173.9	0	0	0	0	112.1	P563 L565 T570 K571	P563-S567 WeakPolarHBondContact O-CB 3.28Å; P563-S567 PolarHBondContact O-N 3.01Å; L565-S567 VanDerWaalsContact C-N 3.31Å; L565-S567 PolarHBondContact O-N 3.31Å; S567-T570 PolarHBondContact O-N 3.45Å; S567-K571 VanDerWaalsContact O-CG 3.31Å; S567-K571 WeakPolarHBondContact O-CG 3.3Å; S567-K571 PolarHBondContact O-N 2.95Å
568	L	90.6	Very high	84.6	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-51.2	176.7	-178.6	65.6	0	0	0	111.7	Q564 L565 E566 T570 K571 C572 V586 I589 L590	Q564-L568 PolarHBondContact O-N 2.91Å; Q564-L568 VanDerWaalsContact O-N 3.09Å; L565-L568 HydrophobicContact CD1-CD2 4.18Å; L565-L568 WeakPolarHBondContact O-CB 3.46Å; L565-L568 PolarHBondContact O-N 3.12Å; E566-L568 VanDerWaalsContact C-N 3.33Å; E566-L568 PolarHBondContact O-N 3.37Å; L568-T570 VanDerWaalsContact C-N 3.31Å; L568-T570 PolarHBondContact O-N 3.4Å; L568-K571 PolarHBondContact O-N 3.18Å; L568-C572 PolarHBondContact O-N 3.49Å; L568-C572 PolarHBondContact O-SG 2.92Å; L568-V586 HydrophobicContact CD1-CG1 4.31Å; L568-V586 HydrophobicContact CD1-CG2 4.2Å; L568-V586 HydrophobicContact CD2-CG1 4.32Å; L568-I589 HydrophobicContact CD1-CD1 3.88Å; L568-I589 HydrophobicContact CD1-CG2 4.37Å; L568-I589 HydrophobicContact CD2-CG2 4.31Å; L568-L590 HydrophobicContact CD2-CD2 3.88Å; L568-L590 HydrophobicContact CD2-CG 4.08Å
569	I	90.9	Very high	85.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61	-43.2	179.5	-59.8	164	0	0	0	110.1	V526 F527 L555 L565 E566 K571 C572 W573	V526-I569 HydrophobicContact CB-CG1 4.22Å; V526-I569 HydrophobicContact CG1-CD1 3.98Å; V526-I569 HydrophobicContact CG1-CG1 3.84Å; F527-I569 HydrophobicContact CB-CD1 4.28Å; F527-I569 HydrophobicContact CB-CG2 4.35Å; L555-I569 HydrophobicContact CD1-CB 3.7Å; L555-I569 HydrophobicContact CD1-CG2 3.65Å; L555-I569 HydrophobicContact CD2-CG2 4.3Å; L555-I569 HydrophobicContact CG-CG2 4.41Å; L565-I569 HydrophobicContact CG-CD1 4.4Å; L565-I569 WeakPolarHBondContact O-CG1 3.31Å; L565-I569 PolarHBondContact O-N 3.48Å; E566-I569 PolarHBondContact O-N 3.2Å; I569-K571 VanDerWaalsContact C-N 3.31Å; I569-K571 PolarHBondContact O-N 3.09Å; I569-C572 PolarHBondContact O-N 3.31Å; I569-C572 VanDerWaalsContact O-N 3.17Å; I569-W573 HydrophobicContact CG2-CD2 3.89Å; I569-W573 HydrophobicContact CG2-CE3 4Å; I569-W573 HydrophobicContact CG2-CH2 4.08Å; I569-W573 HydrophobicContact CG2-CZ2 3.98Å; I569-W573 HydrophobicContact CG2-CZ3 4.11Å; I569-W573 PolarHBondContact O-N 2.95Å
570	T	91	Very high	87.7	Confident	72 Å²	72	54.6 Å²	54.6	44%	0.442	31%	0.305	S	S	.	.	H	α-helix	trans	-57.1	-44.6	176.9	-54.1	0	0	0	0	111.6	L555 E566 S567 L568 W573 S574	L555-T570 WeakPolarHBondContact CD1-OG1 3.37Å; E566-T570 WeakPolarHBondContact O-CB 3.43Å; E566-T570 PolarHBondContact O-N 3.4Å; E566-T570 PolarHBondContact O-OG1 3.18Å; S567-T570 PolarHBondContact O-N 3.45Å; L568-T570 VanDerWaalsContact C-N 3.31Å; L568-T570 PolarHBondContact O-N 3.4Å; T570-W573 PolarHBondContact O-N 3.13Å; T570-S574 PolarHBondContact O-N 2.99Å
571	K	91.9	Very high	89	Confident	101 Å²	101	52 Å²	52	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-41.7	177.1	-71.5	176.1	-178.1	-177.2	0	111.9	S567 L568 I569 W573 S574 P581	S567-K571 VanDerWaalsContact O-CG 3.31Å; S567-K571 WeakPolarHBondContact O-CG 3.3Å; S567-K571 PolarHBondContact O-N 2.95Å; L568-K571 PolarHBondContact O-N 3.18Å; I569-K571 VanDerWaalsContact C-N 3.31Å; I569-K571 PolarHBondContact O-N 3.09Å; K571-W573 VanDerWaalsContact C-N 3.26Å; K571-W573 PolarHBondContact O-N 2.85Å; K571-S574 WeakPolarHBondContact O-CB 3.42Å; K571-S574 PolarHBondContact O-N 3.16Å; K571-S574 PolarHBondContact O-OG 3.19Å; K571-P581 HydrophobicContact CB-CG 4.3Å
572	C	92.1	Very high	89.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-32.6	175.4	-65.8	0	0	0	0	112.8	V519 L568 I569 S574 R580	V519-C572 HydrophobicContact CG1-CB 4.15Å; L568-C572 PolarHBondContact O-N 3.49Å; L568-C572 PolarHBondContact O-SG 2.92Å; I569-C572 PolarHBondContact O-N 3.31Å; I569-C572 VanDerWaalsContact O-N 3.17Å; C572-S574 VanDerWaalsContact C-N 3.29Å; C572-S574 PolarHBondContact O-N 3.48Å; C572-R580 VanDerWaalsContact O-CD 3.29Å; C572-R580 WeakPolarHBondContact O-CD 3.46Å; C572-R580 WeakPolarHBondContact O-CG 3.16Å
573	W	92.5	Very high	89.7	Confident	11 Å²	11	50.6 Å²	50.6	4%	0.042	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	15.5	177.1	-70.8	-14.2	0	0	0	114.7	Y520 T524 F527 P535 L555 I569 T570 K571 V575	Y520-W573 AromaticContact CD2-CD1 3.74Å; Y520-W573 HydrophobicContact CD2-CG 4.45Å; Y520-W573 HydrophobicContact CE2-CB 4.12Å; Y520-W573 AromaticContact CE2-CD1 3.54Å; Y520-W573 HydrophobicContact CE2-CG 4.02Å; Y520-W573 AromaticContact CZ-CD1 3.88Å; T524-W573 PolarHBondContact OG1-NE1 3.3Å; F527-W573 HydrophobicContact CB-CH2 4.05Å; F527-W573 HydrophobicContact CB-CZ2 3.94Å; F527-W573 AromaticContact CD2-CH2 3.58Å; F527-W573 HydrophobicContact CD2-CH2 3.58Å; F527-W573 HydrophobicContact CD2-CZ2 4.34Å; F527-W573 HydrophobicContact CD2-CZ3 4.35Å; F527-W573 HydrophobicContact CE2-CH2 4.09Å; F527-W573 AromaticContact CG-CH2 3.82Å; F527-W573 HydrophobicContact CG-CH2 3.82Å; F527-W573 HydrophobicContact CG-CZ2 4.17Å; P535-W573 HydrophobicContact CB-CH2 3.81Å; P535-W573 HydrophobicContact CB-CZ2 4.12Å; P535-W573 HydrophobicContact CG-CH2 3.7Å; P535-W573 HydrophobicContact CG-CZ2 3.59Å; L555-W573 HydrophobicContact CD1-CZ3 4.4Å; L555-W573 HydrophobicContact CD2-CE3 4.21Å; L555-W573 HydrophobicContact CD2-CH2 3.89Å; L555-W573 HydrophobicContact CD2-CZ3 3.36Å; L555-W573 HydrophobicContact CG-CE3 4.03Å; L555-W573 HydrophobicContact CG-CZ3 3.65Å; I569-W573 HydrophobicContact CG2-CD2 3.89Å; I569-W573 HydrophobicContact CG2-CE3 4Å; I569-W573 HydrophobicContact CG2-CH2 4.08Å; I569-W573 HydrophobicContact CG2-CZ2 3.98Å; I569-W573 HydrophobicContact CG2-CZ3 4.11Å; I569-W573 PolarHBondContact O-N 2.95Å; T570-W573 PolarHBondContact O-N 3.13Å; K571-W573 VanDerWaalsContact C-N 3.26Å; K571-W573 PolarHBondContact O-N 2.85Å; W573-V575 PolarHBondContact O-N 3.06Å
574	S	92.1	Very high	89.8	Confident	28 Å²	28	47.8 Å²	47.8	20%	0.196	25%	0.254	C	S	.	.			trans	-56.8	132.6	173.7	-61.2	0	0	0	0	111.2	T570 K571 C572 A576 R580	T570-S574 PolarHBondContact O-N 2.99Å; K571-S574 WeakPolarHBondContact O-CB 3.42Å; K571-S574 PolarHBondContact O-N 3.16Å; K571-S574 PolarHBondContact O-OG 3.19Å; C572-S574 VanDerWaalsContact C-N 3.29Å; C572-S574 PolarHBondContact O-N 3.48Å; S574-A576 VanDerWaalsContact C-N 3.34Å; S574-A576 PolarHBondContact O-N 2.83Å; S574-R580 PolarHBondContact O-NE 3.44Å; S574-R580 PolarHBondContact O-NH2 2.7Å
575	V	89.4	Confident	89.9	Confident	59 Å²	59	44.7 Å²	44.7	36%	0.358	24%	0.241	S	C	.	.	S	Bend	trans	-61.4	-45	-178.3	-176.8	0	0	0	0	111.2	P494 G551 W573 R580	P494-V575 HydrophobicContact CB-CG1 4.45Å; G551-V575 VanDerWaalsContact CA-CG2 3.41Å; W573-V575 PolarHBondContact O-N 3.06Å; V575-R580 PolarHBondContact O-NH2 2.72Å
576	A	89.8	Confident	89.9	Confident	25 Å²	25	44.5 Å²	44.5	21%	0.207	24%	0.24	C	C	.	.	S	Bend	trans	-78.7	120.2	174.6	0	0	0	0	0	109.7	S574 Q578 H579	S574-A576 VanDerWaalsContact C-N 3.34Å; S574-A576 PolarHBondContact O-N 2.83Å; A576-Q578 HydrophobicContact CB-CG 4.5Å; A576-Q578 PolarHBondContact O-N 3.3Å; A576-H579 VanDerWaalsContact CB-ND1 3.3Å; A576-H579 WeakPolarHBondContact CB-ND1 3.31Å; A576-H579 PolarHBondContact O-N 3.29Å; A576-H579 VanDerWaalsContact O-N 3.08Å
577	P	90.5	Very high	89.8	Confident	35 Å²	35	43.5 Å²	43.5	23%	0.227	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-53	-39.5	-178.4	-28.1	35.5	0	0	0	113.5	E495 E516 H579 R580	E495-P577 HydrophobicContact CG-CG 4.19Å; E516-P577 HydrophobicContact CB-CB 3.74Å; E516-P577 HydrophobicContact CG-CB 4.02Å; E516-P577 WeakPolarHBondContact CG-O 3.37Å; P577-H579 PolarHBondContact O-N 2.93Å; P577-H579 VanDerWaalsContact O-N 3.17Å; P577-R580 VanDerWaalsContact O-CB 3.31Å; P577-R580 WeakPolarHBondContact O-CB 3.48Å; P577-R580 WeakPolarHBondContact O-CG 3.38Å; P577-R580 PolarHBondContact O-N 3.49Å
578	Q	91.2	Very high	89.6	Confident	143 Å²	143	47.4 Å²	47.4	67%	0.668	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-65	-17.7	-178.7	67.5	-86.7	25.2	0	0	114.9	A576	A576-Q578 HydrophobicContact CB-CG 4.5Å; A576-Q578 PolarHBondContact O-N 3.3Å
579	H	92.3	Very high	89.4	Confident	129 Å²	129	49 Å²	49	60%	0.597	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-89.3	-7.8	176.4	-64.9	134.7	0	0	0	112.8	A576 P577	A576-H579 VanDerWaalsContact CB-ND1 3.3Å; A576-H579 WeakPolarHBondContact CB-ND1 3.31Å; A576-H579 PolarHBondContact O-N 3.29Å; A576-H579 VanDerWaalsContact O-N 3.08Å; P577-H579 PolarHBondContact O-N 2.93Å; P577-H579 VanDerWaalsContact O-N 3.17Å
580	R	93.4	Very high	89.1	Confident	10 Å²	10	49 Å²	49	4%	0.038	25%	0.252	C	S	.	.	S	Bend	trans	-73.6	139.6	175.9	-59.1	-178.1	-166.4	144.8	13.9	109.3	E495 E516 V519 C572 S574 V575 P577	E495-R580 IonicContact OE1-CZ 3.46Å; E495-R580 IonicContact OE1-NH1 3.44Å; E495-R580 PolarHBondContact OE1-NH1 3.39Å; E495-R580 IonicContact OE1-NH2 2.7Å; E495-R580 PolarHBondContact OE1-NH2 2.86Å; E495-R580 IonicContact OE2-CZ 2.7Å; E495-R580 IonicContact OE2-NH1 2.64Å; E495-R580 IonicContact OE2-NH2 3.44Å; E495-R580 PolarHBondContact OE2-NH2 3.41Å; E516-R580 VanDerWaalsContact C-NH1 3.33Å; E516-R580 WeakPolarHBondContact O-CD 3.43Å; E516-R580 PolarHBondContact O-NH1 3.5Å; V519-R580 HydrophobicContact CB-CB 4.44Å; V519-R580 HydrophobicContact CG1-CB 3.93Å; C572-R580 VanDerWaalsContact O-CD 3.29Å; C572-R580 WeakPolarHBondContact O-CD 3.46Å; C572-R580 WeakPolarHBondContact O-CG 3.16Å; S574-R580 PolarHBondContact O-NE 3.44Å; S574-R580 PolarHBondContact O-NH2 2.7Å; V575-R580 PolarHBondContact O-NH2 2.72Å; P577-R580 VanDerWaalsContact O-CB 3.31Å; P577-R580 WeakPolarHBondContact O-CB 3.48Å; P577-R580 WeakPolarHBondContact O-CG 3.38Å; P577-R580 PolarHBondContact O-N 3.49Å
581	P	91.7	Very high	88.7	Confident	18 Å²	18	49.9 Å²	49.9	12%	0.117	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-68	145.9	-179.1	29.3	-33.7	0	0	0	110	V519 K571 D585 V586	V519-P581 HydrophobicContact CG1-CG 4.21Å; V519-P581 WeakPolarHBondContact CG1-O 3.31Å; V519-P581 WeakPolarHBondContact CG2-O 3.41Å; K571-P581 HydrophobicContact CB-CG 4.3Å; P581-D585 HydrophobicContact CB-CB 4.49Å; P581-V586 HydrophobicContact CB-CG2 3.99Å; P581-V586 HydrophobicContact CG-CG2 3.71Å
582	L	87.5	Confident	88.3	Confident	100 Å²	100	50 Å²	50	52%	0.524	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-70.6	146.2	170.1	-60.1	174.4	0	0	0	109	P584 D585 V586	L582-P584 VanDerWaalsContact C-N 3.28Å; L582-P584 VanDerWaalsContact O-N 3.16Å; L582-D585 WeakPolarHBondContact O-CA 3.5Å; L582-D585 WeakPolarHBondContact O-CB 3.33Å; L582-D585 PolarHBondContact O-N 3.34Å; L582-V586 PolarHBondContact O-N 3.4Å; L582-V586 VanDerWaalsContact O-N 3.12Å
583	F	85.6	Confident	87.7	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-51.4	-36.4	178.8	-79.4	-65.3	0	0	0	115.1	T423 V424 H442 D518 V519 F522 D585 V586 V587	T423-F583 HydrophobicContact CG2-CD1 4.18Å; T423-F583 HydrophobicContact CG2-CD2 4.05Å; T423-F583 HydrophobicContact CG2-CE1 3.88Å; T423-F583 HydrophobicContact CG2-CE2 3.75Å; T423-F583 HydrophobicContact CG2-CG 4.27Å; T423-F583 HydrophobicContact CG2-CZ 3.66Å; T423-F583 VanDerWaalsContact OG1-CB 3.3Å; T423-F583 WeakPolarHBondContact OG1-CB 3.13Å; T423-F583 WeakPolarHBondContact OG1-CD1 3.42Å; T423-F583 WeakPolarHBondContact OG1-CD2 3.49Å; T423-F583 WeakPolarHBondContact OG1-CE1 3.49Å; T423-F583 WeakPolarHBondContact OG1-CG 3.24Å; V424-F583 HydrophobicContact CG2-CB 3.57Å; V424-F583 VanDerWaalsContact CG2-O 3.24Å; V424-F583 WeakPolarHBondContact CG2-O 3.37Å; H442-F583 AromaticContact CE1-CD2 3.94Å; H442-F583 AromaticContact NE2-CD2 3.87Å; D518-F583 HydrophobicContact CB-CE2 3.91Å; D518-F583 HydrophobicContact CB-CZ 3.97Å; V519-F583 HydrophobicContact CB-CZ 4.42Å; V519-F583 HydrophobicContact CG2-CD1 4.29Å; V519-F583 HydrophobicContact CG2-CD2 3.79Å; V519-F583 HydrophobicContact CG2-CE1 4.12Å; V519-F583 HydrophobicContact CG2-CE2 3.59Å; V519-F583 HydrophobicContact CG2-CG 4.13Å; V519-F583 HydrophobicContact CG2-CZ 3.77Å; F522-F583 HydrophobicContact CB-CE1 3.81Å; F522-F583 HydrophobicContact CB-CZ 4.22Å; F522-F583 HydrophobicContact CD1-CE1 4.4Å; F522-F583 HydrophobicContact CD2-CE1 4.21Å; F522-F583 AromaticContact CG-CE1 3.87Å; F522-F583 HydrophobicContact CG-CE1 3.87Å; F583-D585 VanDerWaalsContact C-N 3.28Å; F583-D585 PolarHBondContact O-N 2.95Å; F583-V586 WeakPolarHBondContact O-CB 3.4Å; F583-V586 PolarHBondContact O-N 3.05Å; F583-V586 VanDerWaalsContact O-N 3.13Å; F583-V587 WeakPolarHBondContact O-CG2 3.34Å; F583-V587 PolarHBondContact O-N 3.48Å
584	P	84.4	Confident	86.8	Confident	45 Å²	45	53.3 Å²	53.3	29%	0.292	27%	0.273	S	S	.	.	H	α-helix	trans	-54.5	-41.4	171.5	-30.1	38	0	0	0	113.8	V424 L427 L582 R588	V424-P584 HydrophobicContact CG1-CB 4.37Å; V424-P584 HydrophobicContact CG1-CG 4.2Å; V424-P584 HydrophobicContact CG2-CG 4.25Å; V424-P584 VanDerWaalsContact CG2-N 3.34Å; L427-P584 HydrophobicContact CD1-CB 3.8Å; L427-P584 HydrophobicContact CD1-CG 4.28Å; L582-P584 VanDerWaalsContact C-N 3.28Å; L582-P584 VanDerWaalsContact O-N 3.16Å; P584-R588 PolarHBondContact O-N 3.22Å
585	D	86.9	Confident	85.4	Confident	52 Å²	52	57.9 Å²	57.9	28%	0.278	29%	0.289	S	S	.	.	H	α-helix	trans	-69.3	-40.3	176.3	-63.1	-57.4	0	0	0	111.1	P581 L582 F583 V587 R588 I589	P581-D585 HydrophobicContact CB-CB 4.49Å; L582-D585 WeakPolarHBondContact O-CA 3.5Å; L582-D585 WeakPolarHBondContact O-CB 3.33Å; L582-D585 PolarHBondContact O-N 3.34Å; F583-D585 VanDerWaalsContact C-N 3.28Å; F583-D585 PolarHBondContact O-N 2.95Å; D585-V587 PolarHBondContact O-N 3.38Å; D585-R588 PolarHBondContact O-N 3.38Å; D585-R588 IonicContact OD1-CZ 3.41Å; D585-R588 IonicContact OD1-NH1 3.61Å; D585-R588 IonicContact OD1-NH2 2.72Å; D585-R588 PolarHBondContact OD1-NH2 3.26Å; D585-I589 VanDerWaalsContact O-CG1 3.26Å; D585-I589 WeakPolarHBondContact O-CG1 3.44Å; D585-I589 PolarHBondContact O-N 3.48Å
586	V	87.1	Confident	83.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.3	-47.6	175	176.9	0	0	0	0	110.8	A420 F522 L568 P581 L582 F583 R588 I589 L590	A420-V586 HydrophobicContact CB-CG1 4.12Å; F522-V586 HydrophobicContact CD1-CG1 3.99Å; F522-V586 HydrophobicContact CE1-CG1 3.32Å; F522-V586 HydrophobicContact CZ-CG1 3.89Å; L568-V586 HydrophobicContact CD1-CG1 4.31Å; L568-V586 HydrophobicContact CD1-CG2 4.2Å; L568-V586 HydrophobicContact CD2-CG1 4.32Å; P581-V586 HydrophobicContact CB-CG2 3.99Å; P581-V586 HydrophobicContact CG-CG2 3.71Å; L582-V586 PolarHBondContact O-N 3.4Å; L582-V586 VanDerWaalsContact O-N 3.12Å; F583-V586 WeakPolarHBondContact O-CB 3.4Å; F583-V586 PolarHBondContact O-N 3.05Å; F583-V586 VanDerWaalsContact O-N 3.13Å; V586-R588 PolarHBondContact O-N 3.43Å; V586-I589 PolarHBondContact O-N 3.13Å; V586-L590 HydrophobicContact CG1-CD1 3.89Å; V586-L590 HydrophobicContact CG1-CG 4.5Å; V586-L590 WeakPolarHBondContact O-CG 3.26Å; V586-L590 PolarHBondContact O-N 3.48Å
587	V	85.5	Confident	81.2	Confident	21 Å²	21	67.1 Å²	67.1	13%	0.127	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-42.1	177.5	170.7	0	0	0	0	111.2	A420 Q421 V424 F583 D585 L590 H591	A420-V587 VanDerWaalsContact C-CG2 3.44Å; A420-V587 HydrophobicContact CB-CG2 3.52Å; A420-V587 WeakPolarHBondContact O-CG2 3.47Å; Q421-V587 HydrophobicContact CG-CG1 4.02Å; Q421-V587 HydrophobicContact CG-CG2 4.22Å; V424-V587 HydrophobicContact CB-CG2 4Å; V424-V587 HydrophobicContact CG2-CB 4.13Å; V424-V587 HydrophobicContact CG2-CG2 3.38Å; F583-V587 WeakPolarHBondContact O-CG2 3.34Å; F583-V587 PolarHBondContact O-N 3.48Å; D585-V587 PolarHBondContact O-N 3.38Å; V587-L590 PolarHBondContact O-N 3.17Å; V587-H591 WeakPolarHBondContact O-CB 3.21Å; V587-H591 PolarHBondContact O-N 3.22Å
588	R	85.1	Confident	78.7	Confident	137 Å²	137	76.5 Å²	76.5	52%	0.517	37%	0.37	S	S	.	.	H	α-helix	trans	-58.4	-49	175.8	-176.8	-179.7	63.2	-146.7	-14.4	111.1	P584 D585 V586 L590 H591 E592	P584-R588 PolarHBondContact O-N 3.22Å; D585-R588 PolarHBondContact O-N 3.38Å; D585-R588 IonicContact OD1-CZ 3.41Å; D585-R588 IonicContact OD1-NH1 3.61Å; D585-R588 IonicContact OD1-NH2 2.72Å; D585-R588 PolarHBondContact OD1-NH2 3.26Å; V586-R588 PolarHBondContact O-N 3.43Å; R588-L590 PolarHBondContact O-N 3.32Å; R588-H591 PolarHBondContact O-N 3.42Å; R588-E592 WeakPolarHBondContact O-CG 3.5Å; R588-E592 PolarHBondContact O-N 3.2Å
589	I	85.8	Confident	76.1	Confident	38 Å²	38	75.7 Å²	75.7	20%	0.195	37%	0.374	C	S	.	.	H	α-helix	trans	-60.1	-47.1	179.1	-67.3	163.9	0	0	0	110.7	L568 D585 V586 H591 E592 M593	L568-I589 HydrophobicContact CD1-CD1 3.88Å; L568-I589 HydrophobicContact CD1-CG2 4.37Å; L568-I589 HydrophobicContact CD2-CG2 4.31Å; D585-I589 VanDerWaalsContact O-CG1 3.26Å; D585-I589 WeakPolarHBondContact O-CG1 3.44Å; D585-I589 PolarHBondContact O-N 3.48Å; V586-I589 PolarHBondContact O-N 3.13Å; I589-H591 PolarHBondContact O-N 2.99Å; I589-E592 PolarHBondContact O-N 3.28Å; I589-M593 HydrophobicContact CG2-CE 3.75Å; I589-M593 WeakPolarHBondContact O-CG 3.5Å; I589-M593 PolarHBondContact O-N 2.83Å
590	L	85.3	Confident	73.4	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-66.2	-37.3	179	-69.2	170.5	0	0	0	112.4	A416 R417 A420 F522 L565 L568 V586 V587 R588 M593 V594	A416-L590 HydrophobicContact CB-CD1 4.34Å; A416-L590 HydrophobicContact CB-CD2 4.37Å; R417-L590 HydrophobicContact CB-CB 4.42Å; A420-L590 HydrophobicContact CB-CD1 3.88Å; F522-L590 HydrophobicContact CE1-CD1 4.34Å; F522-L590 HydrophobicContact CZ-CD1 3.8Å; L565-L590 HydrophobicContact CD1-CD2 4.17Å; L568-L590 HydrophobicContact CD2-CD2 3.88Å; L568-L590 HydrophobicContact CD2-CG 4.08Å; V586-L590 HydrophobicContact CG1-CD1 3.89Å; V586-L590 HydrophobicContact CG1-CG 4.5Å; V586-L590 WeakPolarHBondContact O-CG 3.26Å; V586-L590 PolarHBondContact O-N 3.48Å; V587-L590 PolarHBondContact O-N 3.17Å; R588-L590 PolarHBondContact O-N 3.32Å; L590-M593 HydrophobicContact CD2-SD 4.18Å; L590-M593 WeakPolarHBondContact O-CB 3.26Å; L590-M593 PolarHBondContact O-N 3.29Å; L590-V594 WeakPolarHBondContact O-CG2 3.37Å; L590-V594 PolarHBondContact O-N 3.45Å
591	H	83.3	Confident	70.4	Confident	90 Å²	90	87.2 Å²	87.2	42%	0.417	42%	0.422	S	S	.	.	H	α-helix	trans	-65.9	-39.7	177.3	-179.3	-97.9	0	0	0	111.8	V587 R588 I589 M593 V594 K595	V587-H591 WeakPolarHBondContact O-CB 3.21Å; V587-H591 PolarHBondContact O-N 3.22Å; R588-H591 PolarHBondContact O-N 3.42Å; I589-H591 PolarHBondContact O-N 2.99Å; H591-M593 VanDerWaalsContact C-N 3.28Å; H591-M593 PolarHBondContact O-N 3.45Å; H591-V594 PolarHBondContact O-N 3.02Å; H591-K595 VanDerWaalsContact CE1-CE 3.5Å; H591-K595 WeakPolarHBondContact CE1-CE 3.39Å; H591-K595 PolarHBondContact O-N 2.82Å
592	E	82.8	Confident	67.5	Low	104 Å²	104	90.3 Å²	90.3	49%	0.486	45%	0.449	S	S	.	.	H	α-helix	trans	-62.5	-34.7	174.3	-73.8	170.8	-174.9	0	0	112.5	R588 I589 V594	R588-E592 WeakPolarHBondContact O-CG 3.5Å; R588-E592 PolarHBondContact O-N 3.2Å; I589-E592 PolarHBondContact O-N 3.28Å; E592-V594 VanDerWaalsContact C-N 3.31Å; E592-V594 PolarHBondContact O-N 3.48Å
593	M	79	Confident	64.9	Low	13 Å²	13	94.7 Å²	94.7	6%	0.064	46%	0.464	C	S	.	.	H	α-helix	trans	-70.4	-24.1	176.2	-67.4	172.6	176.4	0	0	114.3	L413 Q564 L565 I589 L590 H591	L413-M593 HydrophobicContact CD2-CB 4.28Å; L413-M593 HydrophobicContact CD2-SD 4.13Å; Q564-M593 HydrophobicContact CB-CE 3.31Å; L565-M593 HydrophobicContact CB-CE 4.04Å; L565-M593 HydrophobicContact CD1-CE 4.29Å; L565-M593 HydrophobicContact CD1-SD 4.17Å; I589-M593 HydrophobicContact CG2-CE 3.75Å; I589-M593 WeakPolarHBondContact O-CG 3.5Å; I589-M593 PolarHBondContact O-N 2.83Å; L590-M593 HydrophobicContact CD2-SD 4.18Å; L590-M593 WeakPolarHBondContact O-CB 3.26Å; L590-M593 PolarHBondContact O-N 3.29Å; H591-M593 VanDerWaalsContact C-N 3.28Å; H591-M593 PolarHBondContact O-N 3.45Å
594	V	73.2	Confident	62.4	Low	67 Å²	67	99.6 Å²	99.6	41%	0.406	50%	0.496	S	S	.	.	H	α-helix	trans	-87	-23.6	-179.3	174.1	0	0	0	0	111.7	L413 L590 H591 E592 P596	L413-V594 HydrophobicContact CB-CG2 4.01Å; L590-V594 WeakPolarHBondContact O-CG2 3.37Å; L590-V594 PolarHBondContact O-N 3.45Å; H591-V594 PolarHBondContact O-N 3.02Å; E592-V594 VanDerWaalsContact C-N 3.31Å; E592-V594 PolarHBondContact O-N 3.48Å; V594-P596 WeakPolarHBondContact O-CD 3.43Å; V594-P596 VanDerWaalsContact O-N 3.15Å
595	K	64.2	Low	59.9	Low	123 Å²	123	104.5 Å²	104.5	54%	0.535	51%	0.51	S	S	.	.	S	Bend	trans	-57.2	123.3	175.9	-73	180	-177.7	172.8	0	108.6	H591 L597	H591-K595 VanDerWaalsContact CE1-CE 3.5Å; H591-K595 WeakPolarHBondContact CE1-CE 3.39Å; H591-K595 PolarHBondContact O-N 2.82Å; K595-L597 PolarHBondContact O-N 2.87Å
596	P	49.6	Very low	57.7	Low	111 Å²	111	111.7 Å²	111.7	72%	0.721	53%	0.533	S	S	*	.			trans	-55.5	130.8	165.6	23.4	-30.1	0	0	0	106.1	V594 R598	V594-P596 WeakPolarHBondContact O-CD 3.43Å; V594-P596 VanDerWaalsContact O-N 3.15Å; P596-R598 PolarHBondContact O-N 3.34Å
597	L	41	Very low	55.4	Low	167 Å²	167	115.6 Å²	115.6	87%	0.874	56%	0.561	S	S	*	*			trans	-49.1	111.6	168.7	-73.1	170.5	0	0	0	105.3	K595 V599	K595-L597 PolarHBondContact O-N 2.87Å; L597-V599 VanDerWaalsContact C-N 3.3Å; L597-V599 PolarHBondContact O-N 3.09Å
598	R	38.3	Very low	53.1	Low	233 Å²	233	120.2 Å²	120.2	88%	0.879	58%	0.579	S	S	*	*			trans	-57.3	111.7	164.7	-72.3	-175.4	-176.1	177.3	-0.1	102.7	P596 I600	P596-R598 PolarHBondContact O-N 3.34Å; R598-I600 PolarHBondContact O-N 2.76Å
599	V	36.2	Very low	50.7	Low	126 Å²	126	120.9 Å²	120.9	76%	0.764	59%	0.586	S	S	*	*			trans	-52.4	104.8	164.9	177.2	0	0	0	0	103.1	L597 R601	L597-V599 VanDerWaalsContact C-N 3.3Å; L597-V599 PolarHBondContact O-N 3.09Å; V599-R601 PolarHBondContact O-N 2.83Å
600	I	35.7	Very low	48.6	Very low	151 Å²	151	124.9 Å²	124.9	77%	0.774	60%	0.604	S	S	*	*			trans	-58.2	104.1	159.4	-61.1	173.4	0	0	0	100.4	R598 A602	R598-I600 PolarHBondContact O-N 2.76Å; I600-A602 PolarHBondContact O-N 2.97Å
601	R	29.9	Very low	46.4	Very low	229 Å²	229	129.2 Å²	129.2	86%	0.864	63%	0.631	S	S	*	*			trans	-50.9	102.7	164.6	-89.8	-179.8	163.5	160.3	-4.9	102.9	V599 K603	V599-R601 PolarHBondContact O-N 2.83Å; R601-K603 PolarHBondContact O-N 2.72Å
602	A	30.7	Very low	44.3	Very low	83 Å²	83	128.3 Å²	128.3	69%	0.686	63%	0.631	S	S	*	*			trans	-48.7	120.2	167.8	0	0	0	0	0	103.5	I600	I600-A602 PolarHBondContact O-N 2.97Å
603	K	32.5	Very low	42.4	Very low	193 Å²	193	128.7 Å²	128.7	84%	0.839	64%	0.636	S	S	*	*			trans	-45.5	125.9	167.2	-80	-178.3	175.2	-179.7	0	104.6	R601 Y605	R601-K603 PolarHBondContact O-N 2.72Å; K603-Y605 PolarHBondContact O-N 2.89Å
604	P	33.1	Very low	40.6	Very low	108 Å²	108	134.8 Å²	134.8	70%	0.701	66%	0.664	S	S	*	*			trans	-55	118.4	-174.5	22.4	-30.3	0	0	0	105.6	R606	P604-R606 PolarHBondContact O-N 3.46Å
605	Y	33	Very low	39.1	Very low	148 Å²	148	135.3 Å²	135.3	58%	0.58	67%	0.671	S	S	*	*			trans	-73.4	67.5	176.5	-152.7	-45.4	0	0	0	106.5	K603 S607 F608	K603-Y605 PolarHBondContact O-N 2.89Å; Y605-S607 PolarHBondContact O-N 2.72Å; Y605-F608 HydrophobicContact CD1-CB 3.36Å; Y605-F608 HydrophobicContact CD1-CD2 4.48Å; Y605-F608 HydrophobicContact CD1-CG 4.17Å; Y605-F608 HydrophobicContact CE1-CB 3.08Å; Y605-F608 AromaticContact CE1-CD2 3.37Å; Y605-F608 HydrophobicContact CE1-CD2 3.37Å; Y605-F608 HydrophobicContact CE1-CE2 4.48Å; Y605-F608 AromaticContact CE1-CG 3.44Å; Y605-F608 HydrophobicContact CE1-CG 3.44Å; Y605-F608 VanDerWaalsContact CE1-CG 3.44Å; Y605-F608 HydrophobicContact CG-CB 4.31Å; Y605-F608 AromaticContact CZ-CD2 3.39Å; Y605-F608 AromaticContact CZ-CG 3.66Å; Y605-F608 WeakPolarHBondContact OH-CD2 3.26Å; Y605-F608 VanDerWaalsContact OH-CE2 3.26Å; Y605-F608 WeakPolarHBondContact OH-CE2 2.91Å
606	R	39.5	Very low	37.8	Very low	203 Å²	203	134 Å²	134	77%	0.766	67%	0.673	S	S	*	*	H	α-helix	trans	-75.6	-11.5	177.7	-114.3	-176.9	175.7	169.9	-1.7	111.4	P604 Q610	P604-R606 PolarHBondContact O-N 3.46Å; R606-Q610 PolarHBondContact O-OE1 2.95Å
607	S	39.4	Very low	37.2	Very low	83 Å²	83	136.9 Å²	136.9	58%	0.58	68%	0.677	S	S	*	*	H	α-helix	trans	-103.1	0.8	-176.4	62.9	0	0	0	0	116.3	Y605 T611	Y605-S607 PolarHBondContact O-N 2.72Å; S607-T611 PolarHBondContact O-OG1 3.2Å
608	F	37.1	Very low	37	Very low	118 Å²	118	133.8 Å²	133.8	52%	0.518	67%	0.67	S	S	.	*	H	α-helix	trans	-92.7	-44	170.2	-130.1	-132.4	0	0	0	110.5	Y605 Q610 T611 V612	Y605-F608 HydrophobicContact CD1-CB 3.36Å; Y605-F608 HydrophobicContact CD1-CD2 4.48Å; Y605-F608 HydrophobicContact CD1-CG 4.17Å; Y605-F608 HydrophobicContact CE1-CB 3.08Å; Y605-F608 AromaticContact CE1-CD2 3.37Å; Y605-F608 HydrophobicContact CE1-CD2 3.37Å; Y605-F608 HydrophobicContact CE1-CE2 4.48Å; Y605-F608 AromaticContact CE1-CG 3.44Å; Y605-F608 HydrophobicContact CE1-CG 3.44Å; Y605-F608 VanDerWaalsContact CE1-CG 3.44Å; Y605-F608 HydrophobicContact CG-CB 4.31Å; Y605-F608 AromaticContact CZ-CD2 3.39Å; Y605-F608 AromaticContact CZ-CG 3.66Å; Y605-F608 WeakPolarHBondContact OH-CD2 3.26Å; Y605-F608 VanDerWaalsContact OH-CE2 3.26Å; Y605-F608 WeakPolarHBondContact OH-CE2 2.91Å; F608-Q610 VanDerWaalsContact C-N 3.3Å; F608-Q610 PolarHBondContact O-N 3.28Å; F608-T611 PolarHBondContact O-N 3.43Å; F608-V612 HydrophobicContact CD1-CG2 4.48Å; F608-V612 WeakPolarHBondContact O-CG2 3.16Å; F608-V612 PolarHBondContact O-N 2.96Å
609	F	34.8	Very low	36.9	Very low	150 Å²	150	128.4 Å²	128.4	66%	0.658	66%	0.662	S	S	*	*	H	α-helix	trans	-70.8	-28	-175.5	-85.8	-84.2	0	0	0	111.9	L613	F609-L613 WeakPolarHBondContact O-CB 3.33Å; F609-L613 VanDerWaalsContact O-CD1 3.3Å; F609-L613 WeakPolarHBondContact O-CD1 3.3Å; F609-L613 WeakPolarHBondContact O-CG 3.49Å; F609-L613 PolarHBondContact O-N 3.17Å
610	Q	41.5	Very low	36.8	Very low	122 Å²	122	128.1 Å²	128.1	57%	0.57	67%	0.666	S	S	*	*	H	α-helix	trans	-71.3	-36.8	171.5	-92.2	174.8	-42.6	0	0	113.1	R606 F608 Q614	R606-Q610 PolarHBondContact O-OE1 2.95Å; F608-Q610 VanDerWaalsContact C-N 3.3Å; F608-Q610 PolarHBondContact O-N 3.28Å; Q610-Q614 VanDerWaalsContact O-CB 3.25Å; Q610-Q614 WeakPolarHBondContact O-CB 3.35Å; Q610-Q614 VanDerWaalsContact O-CG 3.26Å; Q610-Q614 WeakPolarHBondContact O-CG 3.26Å; Q610-Q614 PolarHBondContact O-N 3.39Å; Q610-Q614 PolarHBondContact O-OE1 3.34Å
611	T	38.8	Very low	36.8	Very low	91 Å²	91	127 Å²	127	56%	0.558	67%	0.666	S	S	*	*	H	α-helix	trans	-74.8	-32.4	177.4	-52.1	0	0	0	0	112.2	S607 F608 S615	S607-T611 PolarHBondContact O-OG1 3.2Å; F608-T611 PolarHBondContact O-N 3.43Å; T611-S615 WeakPolarHBondContact O-CB 3.25Å; T611-S615 PolarHBondContact O-N 3.34Å; T611-S615 PolarHBondContact O-OG 2.97Å
612	V	40.7	Very low	37	Very low	72 Å²	72	121.8 Å²	121.8	44%	0.436	66%	0.662	S	S	.	*	H	α-helix	trans	-75.9	-37.4	175	176.6	0	0	0	0	111.4	F608 S615 T616	F608-V612 HydrophobicContact CD1-CG2 4.48Å; F608-V612 WeakPolarHBondContact O-CG2 3.16Å; F608-V612 PolarHBondContact O-N 2.96Å; V612-S615 WeakPolarHBondContact CA-OG 3.18Å; V612-S615 PolarHBondContact O-N 3.47Å; V612-S615 PolarHBondContact O-OG 3.44Å; V612-T616 PolarHBondContact O-OG1 2.85Å
613	L	42.1	Very low	37.1	Very low	112 Å²	112	122.8 Å²	122.8	59%	0.586	66%	0.664	S	S	*	*	H	α-helix	trans	-75.4	-27.5	176.8	-72.7	164.3	0	0	0	113.7	F609 S615 T616	F609-L613 WeakPolarHBondContact O-CB 3.33Å; F609-L613 VanDerWaalsContact O-CD1 3.3Å; F609-L613 WeakPolarHBondContact O-CD1 3.3Å; F609-L613 WeakPolarHBondContact O-CG 3.49Å; F609-L613 PolarHBondContact O-N 3.17Å; L613-S615 VanDerWaalsContact C-N 3.32Å; L613-T616 PolarHBondContact O-OG1 3.44Å
614	Q	41.9	Very low	37.3	Very low	140 Å²	140	120.8 Å²	120.8	65%	0.654	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-11.8	172.5	-75.2	174.9	-31.2	0	0	113.5	Q610	Q610-Q614 VanDerWaalsContact O-CB 3.25Å; Q610-Q614 WeakPolarHBondContact O-CB 3.35Å; Q610-Q614 VanDerWaalsContact O-CG 3.26Å; Q610-Q614 WeakPolarHBondContact O-CG 3.26Å; Q610-Q614 PolarHBondContact O-N 3.39Å; Q610-Q614 PolarHBondContact O-OE1 3.34Å
615	S	40.6	Very low	37.7	Very low	78 Å²	78	123.5 Å²	123.5	55%	0.545	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.2	-1.2	178	67	0	0	0	0	114.2	T611 V612 L613	T611-S615 WeakPolarHBondContact O-CB 3.25Å; T611-S615 PolarHBondContact O-N 3.34Å; T611-S615 PolarHBondContact O-OG 2.97Å; V612-S615 WeakPolarHBondContact CA-OG 3.18Å; V612-S615 PolarHBondContact O-N 3.47Å; V612-S615 PolarHBondContact O-OG 3.44Å; L613-S615 VanDerWaalsContact C-N 3.32Å
616	T	37	Very low	37.8	Very low	95 Å²	95	124 Å²	124	58%	0.583	68%	0.682	S	S	*	*	S	Bend	trans	-109.9	9.4	-177.3	49.2	0	0	0	0	114.2	V612 L613 S618	V612-T616 PolarHBondContact O-OG1 2.85Å; L613-T616 PolarHBondContact O-OG1 3.44Å; T616-S618 VanDerWaalsContact C-N 3.33Å; T616-S618 PolarHBondContact O-N 3.43Å
617	E	36.9	Very low	37.9	Very low	172 Å²	172	122.6 Å²	122.6	80%	0.804	69%	0.689	S	S	*	*	S	Bend	trans	-88.7	16.4	-179.7	-73.3	-174.1	157.5	0	0	114.6
618	S	37.6	Very low	37.9	Very low	103 Å²	103	123.3 Å²	123.3	72%	0.72	70%	0.7	S	S	*	*			trans	-140.5	50.6	-176.8	59	0	0	0	0	113.9	T616	T616-S618 VanDerWaalsContact C-N 3.33Å; T616-S618 PolarHBondContact O-N 3.43Å
619	V	36.2	Very low	38	Very low	119 Å²	119	121.3 Å²	121.3	72%	0.721	71%	0.712	S	S	*	*			trans	-134.9	101.4	163.2	-172.4	0	0	0	0	109.6	V621	V619-V621 PolarHBondContact O-N 3.2Å
620	S	34	Very low	38.3	Very low	120 Å²	120	119.5 Å²	119.5	84%	0.839	73%	0.725	S	S	*	*			trans	-59.5	120.6	166.6	38.9	0	0	0	0	110.1
621	V	36	Very low	38.6	Very low	128 Å²	128	121.1 Å²	121.1	78%	0.776	78%	0.775	S	S	*	*			trans	-111.3	129	172.4	-175.7	0	0	0	0	108.5	V619	V619-V621 PolarHBondContact O-N 3.2Å
622	P	33.8	Very low	38.6	Very low	119 Å²	119	122.7 Å²	122.7	77%	0.773	79%	0.786	S	S	*	*			trans	-70.9	139.4	-173.2	-11.6	26.7	0	0	0	112.4	N624	P622-N624 PolarHBondContact O-N 3.34Å
623	S	33.3	Very low	38.5	Very low	105 Å²	105	125.3 Å²	125.3	73%	0.734	80%	0.804	S	S	*	*			trans	-55.9	114.2	170	45.5	0	0	0	0	112.3
624	N	35.7	Very low	38.2	Very low	150 Å²	150	126.1 Å²	126.1	80%	0.802	82%	0.816	S	S	*	*			trans	173.1	112.7	136.7	-87.2	-26.8	0	0	0	108.5	P622	P622-N624 PolarHBondContact O-N 3.34Å
625	I	41.7	Very low	38	Very low	165 Å²	165	125.2 Å²	125.2	85%	0.846	83%	0.826	S	S	*	*			trans	178.2	108.8	135.3	-83.5	145.8	0	0	0	106.3
626	N	36	Very low	37.9	Very low	160 Å²	160	128.2 Å²	128.2	86%	0.856	84%	0.843	S	S	*	*			trans	-66.1	133.5	176.3	-84.3	-43.1	0	0	0	111.2
627	L	40.1	Very low	37.9	Very low	172 Å²	172	130.4 Å²	130.4	90%	0.901	86%	0.861	S	S	*	*			trans	-144	98.1	150.5	-105	141.4	0	0	0	107.7
628	A	40.1	Very low	38	Very low	98 Å²	98	127.4 Å²	127.4	81%	0.81	87%	0.865	S	S	*	*			trans	-78.1	143.5	175.3	0	0	0	0	0	110.9
629	G	39.5	Very low	38	Very low	76 Å²	76	129.3 Å²	129.3	78%	0.784	88%	0.876	S	S	*	*			trans	93.9	105.8	146	0	0	0	0	0	116.1
630	A	41	Very low	38.2	Very low	112 Å²	112	130.2 Å²	130.2	93%	0.926	89%	0.889	S	S	*	*				165.7	132.2	86.1	0	0	0	0	0	110.5
631	G	46.9	Very low	38.6	Very low	157 Å²	157	131.1 Å²	131.1	100%	1.619	89%	0.893	S	S	*	*			trans	116.6	0	168	0	0	0	0	0	113.7

Retrieved 631 of 631 residues in 306.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).