G4VC71_SCHMA Loading...

Putative cullin AlphaSync

AlphaFold DB , UniProt , Accession G4VC71, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 750 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.8	Very low	28.6	Very low	242 Å²	242	159.6 Å²	159.6	100%	1.192	87%	0.866	S	S	*	*				0	118	0	-65.6	179.1	-171.7	0	0	105.9
2	E	29.9	Very low	28.6	Very low	170 Å²	170	163.1 Å²	163.1	79%	0.794	87%	0.867	S	S	*	*			cis	-142.9	136.2	11.8	-68.8	178.1	121	0	0	107.7
3	C	23.3	Very low	28.6	Very low	134 Å²	134	161.4 Å²	161.4	91%	0.905	87%	0.867	S	S	*	*			trans	-77.4	117	166.3	-80.7	0	0	0	0	109.2
4	K	28.2	Very low	28.6	Very low	183 Å²	183	160.6 Å²	160.6	80%	0.796	86%	0.861	S	S	*	*			trans	-147.3	82	159.7	-73.8	-170.7	-179	163.5	0	110.7
5	A	30.8	Very low	28.7	Very low	100 Å²	100	157.9 Å²	157.9	83%	0.826	86%	0.86	S	S	*	*			trans	-101.3	93.1	155.8	0	0	0	0	0	107.2	V7	A5-V7 PolarHBondContact O-N 3.23Å
6	S	29.8	Very low	28.7	Very low	108 Å²	108	159.3 Å²	159.3	76%	0.755	86%	0.858	S	S	*	*			trans	-70.5	111.4	175.7	56.7	0	0	0	0	109.5	N8	S6-N8 PolarHBondContact O-N 3.28Å
7	V	32.5	Very low	28.8	Very low	139 Å²	139	155.4 Å²	155.4	84%	0.842	85%	0.853	S	S	*	*			trans	-66	123.6	169.7	174.9	0	0	0	0	108.7	A5 G9	A5-V7 PolarHBondContact O-N 3.23Å; V7-G9 PolarHBondContact O-N 3.06Å
8	N	29.6	Very low	28.9	Very low	156 Å²	156	153.6 Å²	153.6	83%	0.834	85%	0.847	S	S	*	*			trans	-55	99.8	177	-75.4	-33.9	0	0	0	111.3	S6	S6-N8 PolarHBondContact O-N 3.28Å
9	G	28.8	Very low	28.9	Very low	73 Å²	73	153.8 Å²	153.8	75%	0.753	85%	0.847	S	S	*	*			trans	-89.5	100.2	174.2	0	0	0	0	0	111.3	V7 R11	V7-G9 PolarHBondContact O-N 3.06Å; G9-R11 PolarHBondContact O-N 3.12Å
10	F	26.2	Very low	29	Very low	212 Å²	212	154.5 Å²	154.5	93%	0.93	84%	0.843	S	S	*	*			trans	-77	103.8	168.7	-116.3	-95	0	0	0	109.4
11	R	27.8	Very low	29	Very low	239 Å²	239	153.4 Å²	153.4	90%	0.902	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-86.8	128.6	170.2	-97.4	-178.5	176.1	174.6	-0.9	110.1	G9	G9-R11 PolarHBondContact O-N 3.12Å
12	K	28.5	Very low	29	Very low	201 Å²	201	145.2 Å²	145.2	87%	0.874	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-59.8	125.8	176.7	-79.3	175.8	171	176.3	0	112.3
13	T	28.5	Very low	29.4	Very low	141 Å²	141	143.1 Å²	143.1	87%	0.865	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-85.4	131	156.8	38.4	0	0	0	0	109.5
14	L	29.1	Very low	30	Very low	150 Å²	150	143.5 Å²	143.5	79%	0.785	82%	0.823	S	S	*	*			trans	-113.6	117	172.9	-85.9	157.4	0	0	0	107.5
15	S	30.3	Very low	30.4	Very low	120 Å²	120	139.3 Å²	139.3	84%	0.839	82%	0.822	S	S	*	*			trans	-159.3	125.1	158.5	56	0	0	0	0	109.8
16	H	27.8	Very low	30.5	Very low	181 Å²	181	144.2 Å²	144.2	84%	0.838	83%	0.825	S	S	*	*			trans	-89.7	144	-171.4	-80.9	-94.5	0	0	0	113.6
17	A	31.3	Very low	30.6	Very low	93 Å²	93	150 Å²	150	77%	0.769	83%	0.83	S	S	*	*				164.7	95.8	128.5	0	0	0	0	0	110.7
18	V	30.3	Very low	30.7	Very low	122 Å²	122	150.5 Å²	150.5	74%	0.739	83%	0.826	S	S	*	*				63.1	107.2	112.4	-167.4	0	0	0	0	116.1
19	D	29.3	Very low	30.9	Very low	159 Å²	159	147.8 Å²	147.8	85%	0.85	82%	0.819	S	S	*	*				-155.2	154.1	126.9	-110.8	-23.6	0	0	0	112.9
20	H	30.6	Very low	31.4	Very low	167 Å²	167	151.9 Å²	151.9	77%	0.773	82%	0.823	S	S	*	*			trans	-76.1	147.8	-151.7	-83.6	-84.5	0	0	0	118.9
21	C	27.8	Very low	31.8	Very low	131 Å²	131	150.9 Å²	150.9	89%	0.885	82%	0.818	S	S	*	*			trans	58.6	98	135	-157.6	0	0	0	0	121.1
22	G	29.1	Very low	32.4	Very low	70 Å²	70	143.6 Å²	143.6	72%	0.722	81%	0.809	S	S	*	*			trans	145.4	153.8	151.5	0	0	0	0	0	112.8
23	P	38.6	Very low	32.8	Very low	127 Å²	127	140.9 Å²	140.9	83%	0.825	80%	0.803	S	S	*	*			cis	-107.6	153.3	-18.2	35.2	-21.1	0	0	0	111.8	A25	P23-A25 PolarHBondContact O-N 2.99Å; P23-A25 VanDerWaalsContact O-N 3.1Å
24	T	35.5	Very low	33.3	Very low	142 Å²	142	139.4 Å²	139.4	87%	0.871	80%	0.798	S	S	*	*			trans	-55.6	110.7	178.6	45.3	0	0	0	0	112.5	K26	T24-K26 PolarHBondContact O-N 3.34Å
25	A	35.3	Very low	33.8	Very low	95 Å²	95	138.5 Å²	138.5	79%	0.785	80%	0.795	S	S	*	*			trans	-57.6	127.6	171	0	0	0	0	0	110.1	P23 R27	P23-A25 PolarHBondContact O-N 2.99Å; P23-A25 VanDerWaalsContact O-N 3.1Å; A25-R27 PolarHBondContact O-N 3.47Å
26	K	33.5	Very low	34.2	Very low	202 Å²	202	138 Å²	138	88%	0.878	79%	0.786	S	S	*	*			trans	-57.3	96.2	176.8	-71.3	179.4	178.3	177.3	0	109.5	T24 I28	T24-K26 PolarHBondContact O-N 3.34Å; K26-I28 PolarHBondContact O-N 3.45Å
27	R	32.3	Very low	34.7	Very low	231 Å²	231	138.6 Å²	138.6	87%	0.872	79%	0.786	S	S	*	*			trans	-64.3	104.5	166.7	-168.6	176.3	-171.4	169	2	106.6	A25 S29	A25-R27 PolarHBondContact O-N 3.47Å; R27-S29 PolarHBondContact O-N 3.11Å
28	I	35.3	Very low	35.4	Very low	148 Å²	148	137.6 Å²	137.6	76%	0.759	79%	0.785	S	S	*	*			trans	-64.1	94.8	166.7	-60.5	175.4	0	0	0	105.6	K26 L30	K26-I28 PolarHBondContact O-N 3.45Å; I28-L30 HydrophobicContact CG2-CG 4.37Å; I28-L30 PolarHBondContact O-N 3.13Å
29	S	34.2	Very low	35.9	Very low	99 Å²	99	137.7 Å²	137.7	69%	0.692	78%	0.781	S	S	*	*			trans	-78.5	96.8	164.7	37.7	0	0	0	0	105.7	R27 K31	R27-S29 PolarHBondContact O-N 3.11Å; S29-K31 VanDerWaalsContact C-N 3.34Å; S29-K31 PolarHBondContact O-N 3.36Å
30	L	37.3	Very low	36.8	Very low	160 Å²	160	133.2 Å²	133.2	84%	0.838	76%	0.76	S	S	*	*			trans	-60.9	104.8	161.4	-77.7	161.2	0	0	0	105.9	I28 A32	I28-L30 HydrophobicContact CG2-CG 4.37Å; I28-L30 PolarHBondContact O-N 3.13Å; L30-A32 PolarHBondContact O-N 2.75Å; L30-A32 VanDerWaalsContact O-N 3.11Å
31	K	34.9	Very low	38.1	Very low	190 Å²	190	127.8 Å²	127.8	83%	0.826	74%	0.741	S	S	*	*			trans	-52.1	119.6	166	-84.1	179.8	173.8	178.3	0	106.5	S29 I33	S29-K31 VanDerWaalsContact C-N 3.34Å; S29-K31 PolarHBondContact O-N 3.36Å; K31-I33 PolarHBondContact O-N 3.26Å
32	A	41.8	Very low	39.7	Very low	86 Å²	86	124.2 Å²	124.2	71%	0.711	72%	0.721	S	S	*	*			trans	-57.6	107.8	168	0	0	0	0	0	106.9	L30 S34	L30-A32 PolarHBondContact O-N 2.75Å; L30-A32 VanDerWaalsContact O-N 3.11Å; A32-S34 PolarHBondContact O-N 3.45Å; A32-S34 PolarHBondContact O-OG 3.37Å
33	I	36	Very low	41.5	Very low	144 Å²	144	124.2 Å²	124.2	74%	0.738	71%	0.71	S	S	*	*			trans	-65.3	91.1	168.7	-61.6	172.6	0	0	0	105	K31 D35	K31-I33 PolarHBondContact O-N 3.26Å; I33-D35 HydrophobicContact CG2-CB 4.39Å; I33-D35 PolarHBondContact O-N 3.38Å
34	S	38.4	Very low	43	Very low	110 Å²	110	123 Å²	123	77%	0.769	69%	0.693	S	S	*	*			trans	-87.9	58.6	171	34.7	0	0	0	0	107.8	A32	A32-S34 PolarHBondContact O-N 3.45Å; A32-S34 PolarHBondContact O-OG 3.37Å
35	D	39.7	Very low	44.4	Very low	132 Å²	132	118.3 Å²	118.3	71%	0.706	66%	0.662	S	S	*	*			trans	-136.1	61.1	163.7	-104.6	-27.3	0	0	0	107.5	I33 K37	I33-D35 HydrophobicContact CG2-CB 4.39Å; I33-D35 PolarHBondContact O-N 3.38Å; D35-K37 PolarHBondContact O-N 3.45Å
36	V	40.2	Very low	46.2	Very low	108 Å²	108	115.4 Å²	115.4	66%	0.655	63%	0.632	S	S	*	*			trans	-83.6	66.1	171.3	-179.6	0	0	0	0	107.7	L39	V36-L39 HydrophobicContact CB-CD1 4.27Å; V36-L39 HydrophobicContact CG1-CD1 3.67Å; V36-L39 HydrophobicContact CG2-CD1 4.11Å
37	K	37.7	Very low	48.4	Very low	195 Å²	195	111.5 Å²	111.5	85%	0.848	62%	0.617	S	S	*	*	S	Bend	trans	-121.8	91.9	166.5	-80.6	-173.2	178	177.7	0	107.5	D35	D35-K37 PolarHBondContact O-N 3.45Å
38	G	45.3	Very low	50.8	Low	72 Å²	72	105.5 Å²	105.5	74%	0.742	60%	0.602	S	S	*	*	S	Bend	trans	131.2	3.8	174.5	0	0	0	0	0	115.7	P40	G38-P40 VanDerWaalsContact O-CD 3.3Å; G38-P40 WeakPolarHBondContact O-CD 3.43Å
39	L	40.7	Very low	53.1	Low	124 Å²	124	99 Å²	99	65%	0.649	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-65.2	121.1	165.8	-87.3	118	0	0	0	108.2	V36 S41	V36-L39 HydrophobicContact CB-CD1 4.27Å; V36-L39 HydrophobicContact CG1-CD1 3.67Å; V36-L39 HydrophobicContact CG2-CD1 4.11Å; L39-S41 PolarHBondContact O-N 2.85Å
40	P	49.7	Very low	55.6	Low	65 Å²	65	94.7 Å²	94.7	42%	0.422	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-53.6	138.3	176.3	14.3	-23.3	0	0	0	109.2	G38 Q44 I45	G38-P40 VanDerWaalsContact O-CD 3.3Å; G38-P40 WeakPolarHBondContact O-CD 3.43Å; P40-Q44 HydrophobicContact CB-CB 4.09Å; P40-I45 HydrophobicContact CB-CD1 4.43Å; P40-I45 HydrophobicContact CB-CG1 3.81Å; P40-I45 HydrophobicContact CG-CD1 3.94Å; P40-I45 HydrophobicContact CG-CG1 3.59Å; P40-I45 WeakPolarHBondContact O-CD1 3.48Å
41	S	57.5	Low	58	Low	53 Å²	53	91.4 Å²	91.4	37%	0.371	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-51.8	146.2	177.8	61.5	0	0	0	0	109.6	L39 S43 Q44 I45	L39-S41 PolarHBondContact O-N 2.85Å; S41-S43 WeakPolarHBondContact CB-OG 3.26Å; S41-S43 PolarHBondContact O-N 3.49Å; S41-S43 PolarHBondContact OG-OG 3.44Å; S41-Q44 WeakPolarHBondContact O-CA 3.44Å; S41-Q44 PolarHBondContact O-N 3.01Å; S41-Q44 WeakPolarHBondContact OG-CG 3.46Å; S41-Q44 PolarHBondContact OG-N 2.91Å; S41-I45 PolarHBondContact O-N 3Å; S41-I45 VanDerWaalsContact O-N 3.09Å
42	A	61.3	Low	60.6	Low	56 Å²	56	86.7 Å²	86.7	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-48.4	-37.3	176.4	0	0	0	0	0	111.5	Q44 F46 Q83	A42-Q44 PolarHBondContact O-N 3.13Å; A42-F46 VanDerWaalsContact O-CB 3.3Å; A42-F46 WeakPolarHBondContact O-CB 3.42Å; A42-F46 PolarHBondContact O-N 3.25Å; A42-Q83 PolarHBondContact O-OE1 2.8Å
43	S	66.6	Low	63	Low	69 Å²	69	82.6 Å²	82.6	48%	0.483	47%	0.468	S	S	.	.	H	α-helix	trans	-60.7	-39.1	172.4	39.5	0	0	0	0	115.4	S41 Q47	S41-S43 WeakPolarHBondContact CB-OG 3.26Å; S41-S43 PolarHBondContact O-N 3.49Å; S41-S43 PolarHBondContact OG-OG 3.44Å; S43-Q47 WeakPolarHBondContact O-CG 3.48Å; S43-Q47 PolarHBondContact O-N 2.78Å
44	Q	69.8	Low	65.6	Low	102 Å²	102	78.6 Å²	78.6	48%	0.477	45%	0.446	S	S	.	.	H	α-helix	trans	-73.1	-45	177.4	-83.1	173.9	-25.3	0	0	111.7	P40 S41 A42 F46 Q47 D48	P40-Q44 HydrophobicContact CB-CB 4.09Å; S41-Q44 WeakPolarHBondContact O-CA 3.44Å; S41-Q44 PolarHBondContact O-N 3.01Å; S41-Q44 WeakPolarHBondContact OG-CG 3.46Å; S41-Q44 PolarHBondContact OG-N 2.91Å; A42-Q44 PolarHBondContact O-N 3.13Å; Q44-F46 PolarHBondContact O-N 3.33Å; Q44-Q47 PolarHBondContact O-N 2.98Å; Q44-Q47 VanDerWaalsContact O-N 3.13Å; Q44-D48 PolarHBondContact O-N 3.21Å
45	I	65.1	Low	68	Low	44 Å²	44	80 Å²	80	23%	0.226	44%	0.438	C	S	.	.	H	α-helix	trans	-57.6	-42.6	175.5	-61.5	175.1	0	0	0	109.7	P40 S41 S49 Q83	P40-I45 HydrophobicContact CB-CD1 4.43Å; P40-I45 HydrophobicContact CB-CG1 3.81Å; P40-I45 HydrophobicContact CG-CD1 3.94Å; P40-I45 HydrophobicContact CG-CG1 3.59Å; P40-I45 WeakPolarHBondContact O-CD1 3.48Å; S41-I45 PolarHBondContact O-N 3Å; S41-I45 VanDerWaalsContact O-N 3.09Å; I45-S49 VanDerWaalsContact O-CB 3.23Å; I45-S49 WeakPolarHBondContact O-CB 3.37Å; I45-S49 PolarHBondContact O-N 3.5Å; I45-S49 PolarHBondContact O-OG 2.92Å; I45-Q83 VanDerWaalsContact CG2-NE2 3.35Å
46	F	73.6	Confident	70.5	Confident	34 Å²	34	74 Å²	74	15%	0.149	41%	0.407	C	S	.	.	H	α-helix	trans	-62.1	-48.1	174.4	177	-94.4	0	0	0	113	A42 Q44 D48 C50 I80 M85 E88	A42-F46 VanDerWaalsContact O-CB 3.3Å; A42-F46 WeakPolarHBondContact O-CB 3.42Å; A42-F46 PolarHBondContact O-N 3.25Å; Q44-F46 PolarHBondContact O-N 3.33Å; F46-D48 PolarHBondContact O-N 3.29Å; F46-C50 HydrophobicContact CE1-CB 4.28Å; F46-C50 HydrophobicContact CZ-CB 4.28Å; F46-C50 WeakPolarHBondContact O-CA 3.17Å; F46-C50 WeakPolarHBondContact O-CB 3.46Å; F46-C50 PolarHBondContact O-N 2.75Å; F46-I80 HydrophobicContact CD2-CB 4.36Å; F46-I80 HydrophobicContact CD2-CD1 4.31Å; F46-I80 HydrophobicContact CD2-CG1 3.97Å; F46-I80 HydrophobicContact CD2-CG2 3.66Å; F46-I80 HydrophobicContact CE2-CG2 3.62Å; F46-M85 HydrophobicContact CB-CE 3.34Å; F46-M85 HydrophobicContact CB-SD 3.99Å; F46-M85 HydrophobicContact CD1-SD 4.19Å; F46-M85 HydrophobicContact CD2-CB 3.73Å; F46-M85 HydrophobicContact CD2-CE 3.59Å; F46-M85 HydrophobicContact CD2-CG 4.33Å; F46-M85 HydrophobicContact CD2-SD 3.65Å; F46-M85 HydrophobicContact CE2-CB 3.68Å; F46-M85 HydrophobicContact CE2-SD 4.16Å; F46-M85 HydrophobicContact CG-CE 3.61Å; F46-M85 HydrophobicContact CG-SD 3.67Å; F46-E88 HydrophobicContact CE2-CB 4.22Å; F46-E88 HydrophobicContact CZ-CB 3.7Å
47	Q	79.3	Confident	73	Confident	120 Å²	120	68.8 Å²	68.8	56%	0.561	38%	0.376	S	S	*	.	H	α-helix	trans	-59	-47.7	-179.4	-81.5	179.8	-7.5	0	0	111.6	S43 Q44 L51	S43-Q47 WeakPolarHBondContact O-CG 3.48Å; S43-Q47 PolarHBondContact O-N 2.78Å; Q44-Q47 PolarHBondContact O-N 2.98Å; Q44-Q47 VanDerWaalsContact O-N 3.13Å; Q47-L51 VanDerWaalsContact O-CB 3.26Å; Q47-L51 WeakPolarHBondContact O-CB 3.41Å; Q47-L51 WeakPolarHBondContact O-CD1 3.43Å; Q47-L51 WeakPolarHBondContact O-CG 3.39Å; Q47-L51 PolarHBondContact O-N 3.16Å
48	D	82.3	Confident	75.6	Confident	104 Å²	104	64 Å²	64	56%	0.556	36%	0.355	S	S	*	.	H	α-helix	trans	-67.4	-47.5	-178.2	-70.2	-17.6	0	0	0	112	Q44 F46 L51 K52	Q44-D48 PolarHBondContact O-N 3.21Å; F46-D48 PolarHBondContact O-N 3.29Å; D48-L51 PolarHBondContact O-N 3.34Å; D48-K52 WeakPolarHBondContact O-CG 3.49Å; D48-K52 PolarHBondContact O-N 3.02Å
49	S	84.6	Confident	77.8	Confident	12 Å²	12	61.2 Å²	61.2	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-66.2	-39.8	178.4	-70.4	0	0	0	0	112.1	I45 K52 L53	I45-S49 VanDerWaalsContact O-CB 3.23Å; I45-S49 WeakPolarHBondContact O-CB 3.37Å; I45-S49 PolarHBondContact O-N 3.5Å; I45-S49 PolarHBondContact O-OG 2.92Å; S49-K52 PolarHBondContact O-N 3.44Å; S49-L53 WeakPolarHBondContact O-CB 3.41Å; S49-L53 VanDerWaalsContact O-CG 3.26Å; S49-L53 WeakPolarHBondContact O-CG 3.48Å; S49-L53 PolarHBondContact O-N 3.45Å
50	C	86.1	Confident	80.2	Confident	9 Å²	9	55.7 Å²	55.7	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-65.8	-45.8	176.6	-171.4	0	0	0	0	110.6	F46 K52 L53 Q54 I80	F46-C50 HydrophobicContact CE1-CB 4.28Å; F46-C50 HydrophobicContact CZ-CB 4.28Å; F46-C50 WeakPolarHBondContact O-CA 3.17Å; F46-C50 WeakPolarHBondContact O-CB 3.46Å; F46-C50 PolarHBondContact O-N 2.75Å; C50-K52 VanDerWaalsContact C-N 3.34Å; C50-K52 PolarHBondContact O-N 3.4Å; C50-L53 PolarHBondContact O-N 3.26Å; C50-L53 VanDerWaalsContact O-N 3.13Å; C50-Q54 VanDerWaalsContact O-CG 3.28Å; C50-Q54 WeakPolarHBondContact O-CG 3.28Å; C50-Q54 PolarHBondContact O-N 2.83Å; C50-I80 HydrophobicContact CB-CD1 4.21Å
51	L	87	Confident	82.3	Confident	91 Å²	91	53 Å²	53	48%	0.476	28%	0.278	S	S	.	.	H	α-helix	trans	-58.1	-44.1	175.5	-89.7	156.2	0	0	0	112.1	Q47 D48 L53 Q54 K55	Q47-L51 VanDerWaalsContact O-CB 3.26Å; Q47-L51 WeakPolarHBondContact O-CB 3.41Å; Q47-L51 WeakPolarHBondContact O-CD1 3.43Å; Q47-L51 WeakPolarHBondContact O-CG 3.39Å; Q47-L51 PolarHBondContact O-N 3.16Å; D48-L51 PolarHBondContact O-N 3.34Å; L51-L53 PolarHBondContact O-N 3.41Å; L51-Q54 PolarHBondContact O-N 3.49Å; L51-K55 WeakPolarHBondContact O-CB 3.44Å; L51-K55 WeakPolarHBondContact O-CG 3.26Å; L51-K55 PolarHBondContact O-N 2.95Å
52	K	89.4	Confident	83.8	Confident	90 Å²	90	55.9 Å²	55.9	39%	0.391	29%	0.288	S	S	.	.	H	α-helix	trans	-58.8	-45.7	174.1	-77.2	-177.4	175.6	-172.8	0	111.8	D48 S49 C50 K55 A56 E72	D48-K52 WeakPolarHBondContact O-CG 3.49Å; D48-K52 PolarHBondContact O-N 3.02Å; S49-K52 PolarHBondContact O-N 3.44Å; C50-K52 VanDerWaalsContact C-N 3.34Å; C50-K52 PolarHBondContact O-N 3.4Å; K52-K55 PolarHBondContact O-N 3.1Å; K52-A56 WeakPolarHBondContact O-CB 3.37Å; K52-A56 PolarHBondContact O-N 3.5Å; K52-E72 IonicContact NZ-OE1 2.69Å; K52-E72 PolarHBondContact NZ-OE1 3.26Å
53	L	91.8	Very high	85.1	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-41.2	178.8	-72.9	167.8	0	0	0	112.7	S49 C50 L51 A56 T57 L73 N76 V77 I80 L89 I135 F136	S49-L53 WeakPolarHBondContact O-CB 3.41Å; S49-L53 VanDerWaalsContact O-CG 3.26Å; S49-L53 WeakPolarHBondContact O-CG 3.48Å; S49-L53 PolarHBondContact O-N 3.45Å; C50-L53 PolarHBondContact O-N 3.26Å; C50-L53 VanDerWaalsContact O-N 3.13Å; L51-L53 PolarHBondContact O-N 3.41Å; L53-A56 PolarHBondContact O-N 2.77Å; L53-T57 WeakPolarHBondContact O-CB 3.45Å; L53-T57 PolarHBondContact O-N 2.98Å; L53-T57 PolarHBondContact O-OG1 3.44Å; L53-L73 HydrophobicContact CD2-CB 4.04Å; L53-L73 HydrophobicContact CD2-CD2 4.04Å; L53-L73 WeakPolarHBondContact CD2-O 3.45Å; L53-N76 HydrophobicContact CD1-CB 4.15Å; L53-N76 HydrophobicContact CD2-CB 4.45Å; L53-N76 HydrophobicContact CG-CB 4.22Å; L53-V77 HydrophobicContact CD1-CG2 3.67Å; L53-V77 HydrophobicContact CD2-CG2 3.6Å; L53-V77 HydrophobicContact CG-CG2 4.31Å; L53-I80 HydrophobicContact CD1-CD1 3.63Å; L53-L89 HydrophobicContact CD1-CD1 4.02Å; L53-L89 HydrophobicContact CD1-CD2 4.27Å; L53-I135 HydrophobicContact CD2-CG2 3.89Å; L53-F136 HydrophobicContact CB-CE1 4.29Å; L53-F136 HydrophobicContact CB-CZ 3.97Å; L53-F136 HydrophobicContact CD1-CE1 4.21Å; L53-F136 HydrophobicContact CD2-CE1 4.2Å; L53-F136 HydrophobicContact CD2-CZ 4.05Å; L53-F136 HydrophobicContact CG-CE1 4.48Å; L53-F136 HydrophobicContact CG-CZ 4.46Å
54	Q	90.8	Very high	86.2	Confident	60 Å²	60	59.1 Å²	59.1	28%	0.28	30%	0.296	S	S	.	.	H	α-helix	trans	-62.6	-46.1	175.4	-68.7	-178.8	-9.2	0	0	111.1	C50 L51 T57 K58 S92 I96	C50-Q54 VanDerWaalsContact O-CG 3.28Å; C50-Q54 WeakPolarHBondContact O-CG 3.28Å; C50-Q54 PolarHBondContact O-N 2.83Å; L51-Q54 PolarHBondContact O-N 3.49Å; Q54-T57 PolarHBondContact O-N 2.86Å; Q54-K58 WeakPolarHBondContact O-CB 3.49Å; Q54-K58 WeakPolarHBondContact O-CG 3.45Å; Q54-K58 PolarHBondContact O-N 2.92Å; Q54-S92 PolarHBondContact NE2-OG 3.44Å; Q54-I96 HydrophobicContact CB-CD1 3.78Å; Q54-I96 HydrophobicContact CG-CD1 3.7Å
55	K	90.2	Very high	87	Confident	138 Å²	138	60 Å²	60	60%	0.6	31%	0.31	S	S	*	.	H	α-helix	trans	-60.1	-47.7	175.8	-76.5	-178.5	178.1	-174.6	0	111.6	L51 K52 T57 K58 A59	L51-K55 WeakPolarHBondContact O-CB 3.44Å; L51-K55 WeakPolarHBondContact O-CG 3.26Å; L51-K55 PolarHBondContact O-N 2.95Å; K52-K55 PolarHBondContact O-N 3.1Å; K55-T57 VanDerWaalsContact C-N 3.34Å; K55-T57 PolarHBondContact O-N 2.9Å; K55-K58 PolarHBondContact O-N 3.48Å; K55-A59 WeakPolarHBondContact O-CB 3.45Å; K55-A59 PolarHBondContact O-N 2.93Å
56	A	91.1	Very high	88	Confident	6 Å²	6	60.1 Å²	60.1	5%	0.05	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-42.9	177.1	0	0	0	0	0	112.2	K52 L53 A59 V60 V66 L73	K52-A56 WeakPolarHBondContact O-CB 3.37Å; K52-A56 PolarHBondContact O-N 3.5Å; L53-A56 PolarHBondContact O-N 2.77Å; A56-A59 PolarHBondContact O-N 3.29Å; A56-V60 WeakPolarHBondContact O-CG2 3.25Å; A56-V60 PolarHBondContact O-N 3.48Å; A56-V66 HydrophobicContact CB-CG1 3.66Å; A56-L73 HydrophobicContact CB-CD1 3.56Å; A56-L73 HydrophobicContact CB-CD2 3.74Å; A56-L73 HydrophobicContact CB-CG 4.33Å
57	T	92.6	Very high	88.5	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.7	-45.2	177.5	-54.4	0	0	0	0	111.2	L53 Q54 K55 V60 F61 L93 I96 F97 I132 F136	L53-T57 WeakPolarHBondContact O-CB 3.45Å; L53-T57 PolarHBondContact O-N 2.98Å; L53-T57 PolarHBondContact O-OG1 3.44Å; Q54-T57 PolarHBondContact O-N 2.86Å; K55-T57 VanDerWaalsContact C-N 3.34Å; K55-T57 PolarHBondContact O-N 2.9Å; T57-V60 PolarHBondContact O-N 3.28Å; T57-F61 HydrophobicContact CG2-CD2 4.01Å; T57-F61 HydrophobicContact CG2-CE2 3.61Å; T57-F61 HydrophobicContact CG2-CZ 4.29Å; T57-F61 WeakPolarHBondContact O-CD2 3.35Å; T57-F61 PolarHBondContact O-N 3.03Å; T57-L93 HydrophobicContact CG2-CD1 3.79Å; T57-I96 HydrophobicContact CG2-CG2 4Å; T57-F97 HydrophobicContact CG2-CE1 4.23Å; T57-I132 HydrophobicContact CG2-CD1 3.86Å; T57-I132 HydrophobicContact CG2-CG1 4.25Å; T57-I132 HydrophobicContact CG2-CG2 4.39Å; T57-F136 WeakPolarHBondContact OG1-CE2 3.45Å
58	K	92.8	Very high	88.8	Confident	95 Å²	95	62.8 Å²	62.8	41%	0.413	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-41.6	176	-73.2	-178.1	177.2	-171.8	0	111.8	Q54 K55 V60 F61 L62 I96	Q54-K58 WeakPolarHBondContact O-CB 3.49Å; Q54-K58 WeakPolarHBondContact O-CG 3.45Å; Q54-K58 PolarHBondContact O-N 2.92Å; K55-K58 PolarHBondContact O-N 3.48Å; K58-V60 PolarHBondContact O-N 3.3Å; K58-F61 CarbonylContact O-C 3.59Å; K58-F61 PolarHBondContact O-N 3.01Å; K58-F61 VanDerWaalsContact O-N 3.14Å; K58-L62 WeakPolarHBondContact O-CG 3.22Å; K58-L62 PolarHBondContact O-N 2.69Å; K58-I96 HydrophobicContact CG-CG2 3.97Å
59	A	91.5	Very high	89.1	Confident	12 Å²	12	61.9 Å²	61.9	10%	0.099	33%	0.327	C	S	.	.	H	α-helix	trans	-60	-45.1	174.8	0	0	0	0	0	111.7	K55 A56 F61 L62 S63 E64 V66	K55-A59 WeakPolarHBondContact O-CB 3.45Å; K55-A59 PolarHBondContact O-N 2.93Å; A56-A59 PolarHBondContact O-N 3.29Å; A59-F61 VanDerWaalsContact C-N 3.29Å; A59-F61 PolarHBondContact O-N 3.34Å; A59-L62 CarbonylContact O-C 3.57Å; A59-L62 PolarHBondContact O-N 3.16Å; A59-L62 VanDerWaalsContact O-N 3.16Å; A59-S63 PolarHBondContact O-N 3.43Å; A59-E64 HydrophobicContact CB-CB 4.22Å; A59-E64 PolarHBondContact O-N 2.94Å; A59-V66 HydrophobicContact CB-CG2 4.31Å
60	V	92	Very high	89.2	Confident	8 Å²	8	65.8 Å²	65.8	5%	0.048	35%	0.346	C	S	.	.	H	α-helix	trans	-58.9	-41.8	174	172.8	0	0	0	0	111.4	A56 T57 K58 S63 V66 K128 L131 I132 I135	A56-V60 WeakPolarHBondContact O-CG2 3.25Å; A56-V60 PolarHBondContact O-N 3.48Å; T57-V60 PolarHBondContact O-N 3.28Å; K58-V60 PolarHBondContact O-N 3.3Å; V60-S63 PolarHBondContact O-N 2.85Å; V60-V66 HydrophobicContact CG2-CG2 3.79Å; V60-K128 HydrophobicContact CG1-CB 4.12Å; V60-K128 HydrophobicContact CG1-CG 4.28Å; V60-L131 HydrophobicContact CB-CD2 4.49Å; V60-L131 HydrophobicContact CG1-CB 4.35Å; V60-L131 HydrophobicContact CG1-CD2 3.91Å; V60-L131 HydrophobicContact CG1-CG 4.33Å; V60-L131 HydrophobicContact CG2-CD2 3.75Å; V60-L131 HydrophobicContact CG2-CG 4.21Å; V60-I132 HydrophobicContact CB-CG1 4.24Å; V60-I132 HydrophobicContact CG1-CD1 4.08Å; V60-I132 HydrophobicContact CG1-CG1 3.85Å; V60-I135 HydrophobicContact CG2-CD1 4.43Å
61	F	92	Very high	89.3	Confident	8 Å²	8	71.2 Å²	71.2	4%	0.035	37%	0.371	C	S	.	.	H	α-helix	trans	-67.8	-33.4	176.4	-75.3	-36.1	0	0	0	114.1	T57 K58 A59 S63 I96 F97 Y100 K128 M129 I132	T57-F61 HydrophobicContact CG2-CD2 4.01Å; T57-F61 HydrophobicContact CG2-CE2 3.61Å; T57-F61 HydrophobicContact CG2-CZ 4.29Å; T57-F61 WeakPolarHBondContact O-CD2 3.35Å; T57-F61 PolarHBondContact O-N 3.03Å; K58-F61 CarbonylContact O-C 3.59Å; K58-F61 PolarHBondContact O-N 3.01Å; K58-F61 VanDerWaalsContact O-N 3.14Å; A59-F61 VanDerWaalsContact C-N 3.29Å; A59-F61 PolarHBondContact O-N 3.34Å; F61-S63 VanDerWaalsContact C-N 3.26Å; F61-I96 HydrophobicContact CD2-CG2 3.86Å; F61-I96 HydrophobicContact CE2-CG2 3.74Å; F61-F97 AromaticContact CE2-CD1 3.75Å; F61-F97 HydrophobicContact CE2-CD1 3.75Å; F61-F97 HydrophobicContact CE2-CE1 4.01Å; F61-F97 AromaticContact CZ-CD1 3.54Å; F61-F97 HydrophobicContact CZ-CD1 3.54Å; F61-F97 AromaticContact CZ-CE1 3.6Å; F61-F97 HydrophobicContact CZ-CE1 3.6Å; F61-F97 HydrophobicContact CZ-CG 4.23Å; F61-F97 HydrophobicContact CZ-CZ 4.35Å; F61-Y100 HydrophobicContact CB-CD2 3.54Å; F61-Y100 HydrophobicContact CB-CE2 3.73Å; F61-Y100 HydrophobicContact CB-CG 4.01Å; F61-Y100 AromaticContact CD1-CD1 3.47Å; F61-Y100 HydrophobicContact CD1-CD1 3.47Å; F61-Y100 VanDerWaalsContact CD1-CD1 3.47Å; F61-Y100 AromaticContact CD1-CD2 3.98Å; F61-Y100 HydrophobicContact CD1-CD2 3.98Å; F61-Y100 AromaticContact CD1-CE1 3.58Å; F61-Y100 HydrophobicContact CD1-CE1 3.58Å; F61-Y100 HydrophobicContact CD1-CE2 4.07Å; F61-Y100 AromaticContact CD1-CG 3.67Å; F61-Y100 HydrophobicContact CD1-CG 3.67Å; F61-Y100 AromaticContact CD1-CZ 3.88Å; F61-Y100 HydrophobicContact CD2-CD1 4.46Å; F61-Y100 HydrophobicContact CD2-CD2 4.34Å; F61-Y100 AromaticContact CD2-CG 3.98Å; F61-Y100 HydrophobicContact CD2-CG 3.98Å; F61-Y100 AromaticContact CE1-CD1 3.61Å; F61-Y100 HydrophobicContact CE1-CD1 3.61Å; F61-Y100 AromaticContact CE1-CE1 3.92Å; F61-Y100 HydrophobicContact CE1-CE1 3.92Å; F61-Y100 HydrophobicContact CE1-CG 4.1Å; F61-Y100 HydrophobicContact CE2-CG 4.36Å; F61-Y100 AromaticContact CG-CD1 3.95Å; F61-Y100 HydrophobicContact CG-CD1 3.95Å; F61-Y100 AromaticContact CG-CD2 3.72Å; F61-Y100 HydrophobicContact CG-CD2 3.72Å; F61-Y100 HydrophobicContact CG-CE1 4.32Å; F61-Y100 HydrophobicContact CG-CE2 4.1Å; F61-Y100 AromaticContact CG-CG 3.62Å; F61-Y100 HydrophobicContact CG-CG 3.62Å; F61-Y100 HydrophobicContact CZ-CD1 4.16Å; F61-Y100 HydrophobicContact CZ-CG 4.42Å; F61-Y100 WeakPolarHBondContact O-CE2 3.26Å; F61-K128 HydrophobicContact CD1-CB 4.38Å; F61-K128 HydrophobicContact CD1-CD 4.45Å; F61-K128 PolarHBondContact O-NZ 3.25Å; F61-M129 HydrophobicContact CE1-CE 3.45Å; F61-M129 VanDerWaalsContact CE1-CE 3.45Å; F61-M129 HydrophobicContact CE1-SD 3.92Å; F61-M129 HydrophobicContact CZ-CE 3.55Å; F61-M129 HydrophobicContact CZ-SD 4.05Å; F61-I132 HydrophobicContact CD1-CD1 3.86Å; F61-I132 HydrophobicContact CD2-CD1 4.43Å; F61-I132 HydrophobicContact CE1-CD1 3.21Å; F61-I132 HydrophobicContact CE2-CD1 3.88Å; F61-I132 HydrophobicContact CG-CD1 4.42Å; F61-I132 HydrophobicContact CZ-CD1 3.22Å
62	L	89.7	Confident	89.4	Confident	114 Å²	114	69.5 Å²	69.5	60%	0.597	36%	0.36	S	S	*	.	H	α-helix	trans	-82.6	-3.6	174.2	-64.7	174.9	0	0	0	113.2	K58 A59 E64	K58-L62 WeakPolarHBondContact O-CG 3.22Å; K58-L62 PolarHBondContact O-N 2.69Å; A59-L62 CarbonylContact O-C 3.57Å; A59-L62 PolarHBondContact O-N 3.16Å; A59-L62 VanDerWaalsContact O-N 3.16Å; L62-E64 HydrophobicContact CB-CB 4.45Å; L62-E64 HydrophobicContact CB-CG 3.83Å; L62-E64 PolarHBondContact O-N 3.35Å
63	S	88.2	Confident	89.5	Confident	86 Å²	86	65.2 Å²	65.2	60%	0.601	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	33.3	-172.1	-66.2	0	0	0	0	113	A59 V60 F61 K128	A59-S63 PolarHBondContact O-N 3.43Å; V60-S63 PolarHBondContact O-N 2.85Å; F61-S63 VanDerWaalsContact C-N 3.26Å; S63-K128 WeakPolarHBondContact OG-CE 3.35Å; S63-K128 PolarHBondContact OG-NZ 3.05Å; S63-K128 VanDerWaalsContact OG-NZ 3.15Å
64	E	90.9	Very high	89.4	Confident	108 Å²	108	68.2 Å²	68.2	51%	0.505	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-95.8	154.6	176.3	-69.8	176.2	175.3	0	0	111.1	A59 L62	A59-E64 HydrophobicContact CB-CB 4.22Å; A59-E64 PolarHBondContact O-N 2.94Å; L62-E64 HydrophobicContact CB-CB 4.45Å; L62-E64 HydrophobicContact CB-CG 3.83Å; L62-E64 PolarHBondContact O-N 3.35Å
65	P	86.7	Confident	89.4	Confident	120 Å²	120	70.8 Å²	70.8	78%	0.779	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-64.1	136.4	176.4	26.6	-33.5	0	0	0	111.3
66	V	86	Confident	89.4	Confident	46 Å²	46	64.9 Å²	64.9	28%	0.279	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-84.8	123.4	177.8	-176.1	0	0	0	0	109.2	A56 A59 V60 S68 L73	A56-V66 HydrophobicContact CB-CG1 3.66Å; A59-V66 HydrophobicContact CB-CG2 4.31Å; V60-V66 HydrophobicContact CG2-CG2 3.79Å; V66-S68 VanDerWaalsContact C-N 3.34Å; V66-S68 WeakPolarHBondContact CG1-O 3.35Å; V66-S68 PolarHBondContact O-N 2.87Å; V66-L73 HydrophobicContact CG1-CD1 3.64Å
67	E	84.5	Confident	89.4	Confident	185 Å²	185	64.6 Å²	64.6	86%	0.864	33%	0.333	S	S	*	.	S	Bend	trans	-65.7	-33.1	-175.6	-63.4	178.7	167.5	0	0	113.5
68	S	84.1	Confident	89.2	Confident	25 Å²	25	67.7 Å²	67.7	18%	0.175	35%	0.348	C	S	.	.	S	Bend	trans	-96.2	150	179.1	-75.9	0	0	0	0	112	V66 E72	V66-S68 VanDerWaalsContact C-N 3.34Å; V66-S68 WeakPolarHBondContact CG1-O 3.35Å; V66-S68 PolarHBondContact O-N 2.87Å; S68-E72 VanDerWaalsContact CB-OE2 3.29Å; S68-E72 WeakPolarHBondContact CB-OE2 3.27Å; S68-E72 PolarHBondContact OG-OE2 2.95Å; S68-E72 VanDerWaalsContact OG-OE2 3.05Å
69	T	89	Confident	88.9	Confident	86 Å²	86	66.8 Å²	66.8	53%	0.528	35%	0.348	S	S	.	.			trans	-67	149.7	174.2	67.5	0	0	0	0	111.2	E71 E72 L73	T69-E71 PolarHBondContact O-N 3.33Å; T69-E72 WeakPolarHBondContact O-CB 3.39Å; T69-E72 PolarHBondContact O-N 3.14Å; T69-E72 VanDerWaalsContact O-N 3.09Å; T69-E72 WeakPolarHBondContact OG1-CB 3.49Å; T69-E72 PolarHBondContact OG1-N 3.48Å; T69-E72 VanDerWaalsContact OG1-N 3.15Å; T69-L73 WeakPolarHBondContact O-CG 3.47Å; T69-L73 PolarHBondContact O-N 3.4Å
70	L	87.2	Confident	88.7	Confident	93 Å²	93	66.2 Å²	66.2	49%	0.487	34%	0.343	S	S	.	.	H	α-helix	trans	-58.3	-32.1	177	-65.3	176.5	0	0	0	112.4	L73 Y74 L131 I135	L70-L73 PolarHBondContact O-N 3.46Å; L70-Y74 VanDerWaalsContact O-CB 3.29Å; L70-Y74 WeakPolarHBondContact O-CB 3.34Å; L70-Y74 PolarHBondContact O-N 2.88Å; L70-L131 HydrophobicContact CD1-CD1 4.3Å; L70-L131 HydrophobicContact CD2-CD1 4.07Å; L70-I135 HydrophobicContact CD2-CD1 3.97Å; L70-I135 HydrophobicContact CD2-CG1 3.67Å
71	E	87.4	Confident	88.4	Confident	123 Å²	123	66.6 Å²	66.6	58%	0.575	35%	0.346	S	S	*	.	H	α-helix	trans	-72.2	-36	177.3	-162.8	-168.1	146.3	0	0	112.4	T69 R75	T69-E71 PolarHBondContact O-N 3.33Å; E71-R75 WeakPolarHBondContact O-CB 3.44Å; E71-R75 WeakPolarHBondContact O-CG 3.46Å; E71-R75 PolarHBondContact O-N 3.05Å; E71-R75 PolarHBondContact O-NE 2.86Å; E71-R75 VanDerWaalsContact O-NE 3.16Å; E71-R75 IonicContact OE1-CZ 4Å; E71-R75 VanDerWaalsContact OE1-CZ 3.27Å; E71-R75 IonicContact OE1-NE 3.58Å; E71-R75 IonicContact OE1-NH1 3.74Å; E71-R75 IonicContact OE1-NH2 3.27Å; E71-R75 PolarHBondContact OE1-NH2 3.47Å; E71-R75 IonicContact OE2-NH2 2.87Å
72	E	90.3	Very high	88.1	Confident	55 Å²	55	70.1 Å²	70.1	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-65.4	-45.4	171.7	-173.6	-169	169.6	0	0	110.5	K52 S68 T69 R75 N76	K52-E72 IonicContact NZ-OE1 2.69Å; K52-E72 PolarHBondContact NZ-OE1 3.26Å; S68-E72 VanDerWaalsContact CB-OE2 3.29Å; S68-E72 WeakPolarHBondContact CB-OE2 3.27Å; S68-E72 PolarHBondContact OG-OE2 2.95Å; S68-E72 VanDerWaalsContact OG-OE2 3.05Å; T69-E72 WeakPolarHBondContact O-CB 3.39Å; T69-E72 PolarHBondContact O-N 3.14Å; T69-E72 VanDerWaalsContact O-N 3.09Å; T69-E72 WeakPolarHBondContact OG1-CB 3.49Å; T69-E72 PolarHBondContact OG1-N 3.48Å; T69-E72 VanDerWaalsContact OG1-N 3.15Å; E72-R75 PolarHBondContact O-N 2.66Å; E72-N76 PolarHBondContact O-N 2.91Å; E72-N76 PolarHBondContact O-ND2 3.02Å
73	L	90.7	Very high	87.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-64.4	-43.1	179	-64.3	171.5	0	0	0	111.7	L53 A56 V66 T69 L70 R75 N76 V77 I135	L53-L73 HydrophobicContact CD2-CB 4.04Å; L53-L73 HydrophobicContact CD2-CD2 4.04Å; L53-L73 WeakPolarHBondContact CD2-O 3.45Å; A56-L73 HydrophobicContact CB-CD1 3.56Å; A56-L73 HydrophobicContact CB-CD2 3.74Å; A56-L73 HydrophobicContact CB-CG 4.33Å; V66-L73 HydrophobicContact CG1-CD1 3.64Å; T69-L73 WeakPolarHBondContact O-CG 3.47Å; T69-L73 PolarHBondContact O-N 3.4Å; L70-L73 PolarHBondContact O-N 3.46Å; L73-R75 VanDerWaalsContact C-N 3.34Å; L73-R75 PolarHBondContact O-N 3.23Å; L73-N76 WeakPolarHBondContact O-CB 3.35Å; L73-N76 PolarHBondContact O-N 2.89Å; L73-V77 WeakPolarHBondContact O-CG2 3.44Å; L73-V77 PolarHBondContact O-N 3.09Å; L73-I135 HydrophobicContact CB-CG2 3.7Å; L73-I135 HydrophobicContact CD1-CD1 4.13Å; L73-I135 HydrophobicContact CD1-CG1 4.39Å; L73-I135 HydrophobicContact CD1-CG2 4.43Å
74	Y	90.6	Very high	87.7	Confident	64 Å²	64	71.9 Å²	71.9	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-60.7	-42.8	175.4	-178.3	-92.2	0	0	0	111.6	L70 N76 V77 E78 L137 F138	L70-Y74 VanDerWaalsContact O-CB 3.29Å; L70-Y74 WeakPolarHBondContact O-CB 3.34Å; L70-Y74 PolarHBondContact O-N 2.88Å; Y74-N76 PolarHBondContact O-N 2.96Å; Y74-V77 WeakPolarHBondContact O-CB 3.39Å; Y74-V77 PolarHBondContact O-N 3.4Å; Y74-V77 VanDerWaalsContact O-N 3.15Å; Y74-E78 HydrophobicContact CD1-CG 4.27Å; Y74-E78 VanDerWaalsContact CE1-CD 3.43Å; Y74-E78 HydrophobicContact CE1-CG 3.92Å; Y74-E78 WeakPolarHBondContact CE1-OE1 3.45Å; Y74-E78 PolarHBondContact O-N 3.31Å; Y74-E78 PolarHBondContact OH-OE1 3.3Å; Y74-L137 HydrophobicContact CD2-CB 4.49Å; Y74-L137 HydrophobicContact CE2-CB 3.96Å; Y74-F138 HydrophobicContact CE2-CB 3.92Å
75	R	89.9	Confident	87.4	Confident	115 Å²	115	68.3 Å²	68.3	43%	0.434	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-41.9	173	-80.6	-179.5	-82.1	-155.4	-10.2	112.9	E71 E72 L73 V77 E78 D79	E71-R75 WeakPolarHBondContact O-CB 3.44Å; E71-R75 WeakPolarHBondContact O-CG 3.46Å; E71-R75 PolarHBondContact O-N 3.05Å; E71-R75 PolarHBondContact O-NE 2.86Å; E71-R75 VanDerWaalsContact O-NE 3.16Å; E71-R75 IonicContact OE1-CZ 4Å; E71-R75 VanDerWaalsContact OE1-CZ 3.27Å; E71-R75 IonicContact OE1-NE 3.58Å; E71-R75 IonicContact OE1-NH1 3.74Å; E71-R75 IonicContact OE1-NH2 3.27Å; E71-R75 PolarHBondContact OE1-NH2 3.47Å; E71-R75 IonicContact OE2-NH2 2.87Å; E72-R75 PolarHBondContact O-N 2.66Å; L73-R75 VanDerWaalsContact C-N 3.34Å; L73-R75 PolarHBondContact O-N 3.23Å; R75-V77 PolarHBondContact O-N 3.09Å; R75-E78 WeakPolarHBondContact O-CA 3.37Å; R75-E78 WeakPolarHBondContact O-CB 3.38Å; R75-E78 PolarHBondContact O-N 2.67Å; R75-D79 PolarHBondContact O-N 3.47Å
76	N	89.5	Confident	87.5	Confident	14 Å²	14	63.1 Å²	63.1	8%	0.075	32%	0.318	C	S	.	.	H	α-helix	trans	-59.5	-36.2	175	-68.7	-22.2	0	0	0	111.7	L53 E72 L73 Y74 I80	L53-N76 HydrophobicContact CD1-CB 4.15Å; L53-N76 HydrophobicContact CD2-CB 4.45Å; L53-N76 HydrophobicContact CG-CB 4.22Å; E72-N76 PolarHBondContact O-N 2.91Å; E72-N76 PolarHBondContact O-ND2 3.02Å; L73-N76 WeakPolarHBondContact O-CB 3.35Å; L73-N76 PolarHBondContact O-N 2.89Å; Y74-N76 PolarHBondContact O-N 2.96Å; N76-I80 VanDerWaalsContact O-CG1 3.27Å; N76-I80 WeakPolarHBondContact O-CG1 3.3Å; N76-I80 PolarHBondContact O-N 3.38Å; N76-I80 VanDerWaalsContact O-N 3.13Å
77	V	91	Very high	87.6	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-44.4	173.3	177.1	0	0	0	0	110.7	L53 L73 Y74 R75 I80 C81 L89 F136 F138 M139	L53-V77 HydrophobicContact CD1-CG2 3.67Å; L53-V77 HydrophobicContact CD2-CG2 3.6Å; L53-V77 HydrophobicContact CG-CG2 4.31Å; L73-V77 WeakPolarHBondContact O-CG2 3.44Å; L73-V77 PolarHBondContact O-N 3.09Å; Y74-V77 WeakPolarHBondContact O-CB 3.39Å; Y74-V77 PolarHBondContact O-N 3.4Å; Y74-V77 VanDerWaalsContact O-N 3.15Å; R75-V77 PolarHBondContact O-N 3.09Å; V77-I80 PolarHBondContact O-N 2.89Å; V77-C81 WeakPolarHBondContact O-CB 3.43Å; V77-C81 PolarHBondContact O-N 3.33Å; V77-C81 PolarHBondContact O-SG 2.89Å; V77-L89 HydrophobicContact CG1-CD2 4.18Å; V77-L89 HydrophobicContact CG2-CD2 4.46Å; V77-F136 HydrophobicContact CG1-CD1 4.36Å; V77-F136 HydrophobicContact CG2-CD1 3.61Å; V77-F136 HydrophobicContact CG2-CE1 3.97Å; V77-F136 HydrophobicContact CG2-CG 4.19Å; V77-F138 HydrophobicContact CG1-CB 4.24Å; V77-M139 HydrophobicContact CG1-CB 3.7Å
78	E	88.9	Confident	87.8	Confident	64 Å²	64	60.5 Å²	60.5	30%	0.299	30%	0.304	S	S	.	.	H	α-helix	trans	-59	-46.2	176	-66.4	-167.8	150.2	0	0	111.8	Y74 R75 I80 C81 A82 F138	Y74-E78 HydrophobicContact CD1-CG 4.27Å; Y74-E78 VanDerWaalsContact CE1-CD 3.43Å; Y74-E78 HydrophobicContact CE1-CG 3.92Å; Y74-E78 WeakPolarHBondContact CE1-OE1 3.45Å; Y74-E78 PolarHBondContact O-N 3.31Å; Y74-E78 PolarHBondContact OH-OE1 3.3Å; R75-E78 WeakPolarHBondContact O-CA 3.37Å; R75-E78 WeakPolarHBondContact O-CB 3.38Å; R75-E78 PolarHBondContact O-N 2.67Å; E78-I80 PolarHBondContact O-N 3.23Å; E78-C81 PolarHBondContact O-N 2.89Å; E78-A82 WeakPolarHBondContact O-CB 3.07Å; E78-A82 PolarHBondContact O-N 3.47Å; E78-F138 HydrophobicContact CG-CB 3.94Å; E78-F138 HydrophobicContact CG-CD1 4.18Å; E78-F138 HydrophobicContact CG-CD2 3.64Å; E78-F138 HydrophobicContact CG-CE2 4.14Å; E78-F138 HydrophobicContact CG-CG 3.66Å; E78-F138 WeakPolarHBondContact OE1-CD2 3.44Å
79	D	87.5	Confident	88.1	Confident	77 Å²	77	59.5 Å²	59.5	41%	0.412	30%	0.296	S	S	.	.	H	α-helix	trans	-61.8	-44.5	-180	-71.7	-23.3	0	0	0	111.9	R75 C81 A82 Q83	R75-D79 PolarHBondContact O-N 3.47Å; D79-C81 VanDerWaalsContact C-N 3.35Å; D79-A82 PolarHBondContact O-N 3.49Å; D79-Q83 WeakPolarHBondContact O-CG 3.3Å; D79-Q83 PolarHBondContact O-N 2.78Å
80	I	86.3	Confident	88.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-42.4	175.9	-70.2	170.9	0	0	0	111	F46 C50 L53 N76 V77 E78 Q83 M85 L89	F46-I80 HydrophobicContact CD2-CB 4.36Å; F46-I80 HydrophobicContact CD2-CD1 4.31Å; F46-I80 HydrophobicContact CD2-CG1 3.97Å; F46-I80 HydrophobicContact CD2-CG2 3.66Å; F46-I80 HydrophobicContact CE2-CG2 3.62Å; C50-I80 HydrophobicContact CB-CD1 4.21Å; L53-I80 HydrophobicContact CD1-CD1 3.63Å; N76-I80 VanDerWaalsContact O-CG1 3.27Å; N76-I80 WeakPolarHBondContact O-CG1 3.3Å; N76-I80 PolarHBondContact O-N 3.38Å; N76-I80 VanDerWaalsContact O-N 3.13Å; V77-I80 PolarHBondContact O-N 2.89Å; E78-I80 PolarHBondContact O-N 3.23Å; I80-Q83 PolarHBondContact O-N 3.22Å; I80-M85 HydrophobicContact CG2-CB 4.19Å; I80-M85 PolarHBondContact O-N 2.94Å; I80-L89 HydrophobicContact CB-CD2 4.23Å; I80-L89 HydrophobicContact CD1-CD1 4.07Å; I80-L89 HydrophobicContact CD1-CD2 4.16Å; I80-L89 HydrophobicContact CG2-CB 3.92Å; I80-L89 HydrophobicContact CG2-CD2 3.84Å; I80-L89 HydrophobicContact CG2-CG 4.37Å
81	C	86.3	Confident	88.4	Confident	16 Å²	16	54.7 Å²	54.7	11%	0.108	27%	0.272	C	S	.	.	H	α-helix	trans	-68.1	-36.7	178.9	-66.4	0	0	0	0	111.9	V77 E78 D79 Q83 K84 F138	V77-C81 WeakPolarHBondContact O-CB 3.43Å; V77-C81 PolarHBondContact O-N 3.33Å; V77-C81 PolarHBondContact O-SG 2.89Å; E78-C81 PolarHBondContact O-N 2.89Å; D79-C81 VanDerWaalsContact C-N 3.35Å; C81-Q83 PolarHBondContact O-N 3.01Å; C81-K84 PolarHBondContact O-N 2.99Å; C81-F138 HydrophobicContact CB-CD1 3.68Å; C81-F138 HydrophobicContact CB-CE1 3.48Å; C81-F138 VanDerWaalsContact CB-CE1 3.48Å
82	A	85.5	Confident	88.5	Confident	81 Å²	81	49.9 Å²	49.9	67%	0.669	25%	0.252	S	S	*	.	H	α-helix	trans	-62.7	-30	175.5	0	0	0	0	0	112.1	E78 D79 K84	E78-A82 WeakPolarHBondContact O-CB 3.07Å; E78-A82 PolarHBondContact O-N 3.47Å; D79-A82 PolarHBondContact O-N 3.49Å; A82-K84 PolarHBondContact O-N 3.41Å
83	Q	85.7	Confident	88.6	Confident	52 Å²	52	47.4 Å²	47.4	24%	0.243	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	8.8	174	-64.1	176.6	22.4	0	0	113.8	A42 I45 D79 I80 C81 M85	A42-Q83 PolarHBondContact O-OE1 2.8Å; I45-Q83 VanDerWaalsContact CG2-NE2 3.35Å; D79-Q83 WeakPolarHBondContact O-CG 3.3Å; D79-Q83 PolarHBondContact O-N 2.78Å; I80-Q83 PolarHBondContact O-N 3.22Å; C81-Q83 PolarHBondContact O-N 3.01Å; Q83-M85 HydrophobicContact CB-CE 3.74Å; Q83-M85 PolarHBondContact O-N 3.42Å
84	K	83.2	Confident	88.7	Confident	185 Å²	185	52 Å²	52	80%	0.804	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	17.1	-178.2	-55.8	-178.2	177.9	-179.8	0	114.8	C81 A82 I86	C81-K84 PolarHBondContact O-N 2.99Å; A82-K84 PolarHBondContact O-N 3.41Å; K84-I86 VanDerWaalsContact C-N 3.3Å; K84-I86 PolarHBondContact O-N 2.82Å
85	M	86	Confident	88.8	Confident	33 Å²	33	52.8 Å²	52.8	16%	0.163	27%	0.272	C	S	.	.			trans	-95.8	31.5	178.3	-72.4	-174.3	-76.3	0	0	113.6	F46 I80 Q83 M87 E88 L89	F46-M85 HydrophobicContact CB-CE 3.34Å; F46-M85 HydrophobicContact CB-SD 3.99Å; F46-M85 HydrophobicContact CD1-SD 4.19Å; F46-M85 HydrophobicContact CD2-CB 3.73Å; F46-M85 HydrophobicContact CD2-CE 3.59Å; F46-M85 HydrophobicContact CD2-CG 4.33Å; F46-M85 HydrophobicContact CD2-SD 3.65Å; F46-M85 HydrophobicContact CE2-CB 3.68Å; F46-M85 HydrophobicContact CE2-SD 4.16Å; F46-M85 HydrophobicContact CG-CE 3.61Å; F46-M85 HydrophobicContact CG-SD 3.67Å; I80-M85 HydrophobicContact CG2-CB 4.19Å; I80-M85 PolarHBondContact O-N 2.94Å; Q83-M85 HydrophobicContact CB-CE 3.74Å; Q83-M85 PolarHBondContact O-N 3.42Å; M85-M87 VanDerWaalsContact C-N 3.34Å; M85-M87 PolarHBondContact O-N 3.13Å; M85-E88 VanDerWaalsContact C-OE2 3.22Å; M85-E88 WeakPolarHBondContact CA-OE2 3.46Å; M85-E88 WeakPolarHBondContact CB-OE2 3.3Å; M85-L89 PolarHBondContact O-N 3.39Å
86	I	87.8	Confident	89	Confident	11 Å²	11	47.8 Å²	47.8	6%	0.056	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-35.9	-178.6	-177.8	156	0	0	0	112.8	K84 L89 Y90 M139 Q142 L143 L146	K84-I86 VanDerWaalsContact C-N 3.3Å; K84-I86 PolarHBondContact O-N 2.82Å; I86-L89 PolarHBondContact O-N 2.93Å; I86-Y90 WeakPolarHBondContact O-CB 3.49Å; I86-Y90 PolarHBondContact O-N 3.43Å; I86-M139 HydrophobicContact CD1-CB 4.43Å; I86-M139 HydrophobicContact CD1-CG 3.93Å; I86-M139 HydrophobicContact CG1-CG 3.85Å; I86-M139 HydrophobicContact CG1-SD 4.44Å; I86-Q142 HydrophobicContact CD1-CB 3.46Å; I86-Q142 VanDerWaalsContact CD1-CB 3.46Å; I86-Q142 HydrophobicContact CD1-CG 4.49Å; I86-L143 HydrophobicContact CG1-CD2 4.36Å; I86-L146 HydrophobicContact CB-CD1 4.24Å; I86-L146 HydrophobicContact CD1-CD1 3.58Å; I86-L146 HydrophobicContact CG1-CD1 3.99Å; I86-L146 HydrophobicContact CG2-CD1 3.35Å; I86-L146 HydrophobicContact CG2-CD2 4.42Å
87	M	89	Confident	89.2	Confident	76 Å²	76	47.1 Å²	47.1	37%	0.374	25%	0.25	S	C	.	.	H	α-helix	trans	-74	-37.2	-178.7	-68.6	-56.1	-61.4	0	0	111.8	M85 L89 Y90 S91 L143	M85-M87 VanDerWaalsContact C-N 3.34Å; M85-M87 PolarHBondContact O-N 3.13Å; M87-L89 VanDerWaalsContact C-N 3.35Å; M87-Y90 PolarHBondContact O-N 3.01Å; M87-S91 VanDerWaalsContact O-CB 3.3Å; M87-S91 WeakPolarHBondContact O-CB 3.46Å; M87-S91 PolarHBondContact O-N 3.41Å; M87-S91 PolarHBondContact O-OG 2.7Å; M87-L143 HydrophobicContact SD-CD2 4.48Å
88	E	88.2	Confident	89.4	Confident	101 Å²	101	49 Å²	49	47%	0.472	26%	0.263	S	S	.	.	H	α-helix	trans	-62.9	-43.2	172.4	-64.5	92	162.9	0	0	110.9	F46 M85 S91 S92	F46-E88 HydrophobicContact CE2-CB 4.22Å; F46-E88 HydrophobicContact CZ-CB 3.7Å; M85-E88 VanDerWaalsContact C-OE2 3.22Å; M85-E88 WeakPolarHBondContact CA-OE2 3.46Å; M85-E88 WeakPolarHBondContact CB-OE2 3.3Å; E88-S91 PolarHBondContact O-N 3.49Å; E88-S92 WeakPolarHBondContact O-CB 2.95Å; E88-S92 PolarHBondContact O-N 2.89Å
89	L	89.6	Confident	89.5	Confident	3 Å²	3	51 Å²	51	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-46	177.1	-174.7	61.1	0	0	0	112	L53 V77 I80 M85 I86 M87 S91 S92 L93 F136 M139	L53-L89 HydrophobicContact CD1-CD1 4.02Å; L53-L89 HydrophobicContact CD1-CD2 4.27Å; V77-L89 HydrophobicContact CG1-CD2 4.18Å; V77-L89 HydrophobicContact CG2-CD2 4.46Å; I80-L89 HydrophobicContact CB-CD2 4.23Å; I80-L89 HydrophobicContact CD1-CD1 4.07Å; I80-L89 HydrophobicContact CD1-CD2 4.16Å; I80-L89 HydrophobicContact CG2-CB 3.92Å; I80-L89 HydrophobicContact CG2-CD2 3.84Å; I80-L89 HydrophobicContact CG2-CG 4.37Å; M85-L89 PolarHBondContact O-N 3.39Å; I86-L89 PolarHBondContact O-N 2.93Å; M87-L89 VanDerWaalsContact C-N 3.35Å; L89-S91 PolarHBondContact O-N 3.4Å; L89-S92 WeakPolarHBondContact O-CB 3.44Å; L89-S92 PolarHBondContact O-N 3.43Å; L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 PolarHBondContact O-N 2.77Å; L89-F136 HydrophobicContact CD1-CE1 4.11Å; L89-F136 HydrophobicContact CD2-CD1 4.29Å; L89-F136 HydrophobicContact CD2-CE1 4.18Å; L89-F136 HydrophobicContact CG-CE1 4.19Å; L89-M139 HydrophobicContact CB-SD 4.09Å; L89-M139 HydrophobicContact CD2-SD 3.81Å; L89-M139 HydrophobicContact CG-SD 3.81Å
90	Y	91.4	Very high	89.8	Confident	16 Å²	16	49.5 Å²	49.5	6%	0.063	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-42.5	177	-179.6	-106.5	0	0	0	112.1	I86 M87 S92 L93 K94 M139 L143 L151 L156	I86-Y90 WeakPolarHBondContact O-CB 3.49Å; I86-Y90 PolarHBondContact O-N 3.43Å; M87-Y90 PolarHBondContact O-N 3.01Å; Y90-S92 VanDerWaalsContact C-N 3.35Å; Y90-L93 PolarHBondContact O-N 3.09Å; Y90-K94 WeakPolarHBondContact O-CB 3.49Å; Y90-K94 PolarHBondContact O-N 3.26Å; Y90-M139 HydrophobicContact CD2-CE 4.23Å; Y90-L143 HydrophobicContact CD1-CD2 4.32Å; Y90-L143 HydrophobicContact CD2-CD1 3.39Å; Y90-L143 HydrophobicContact CD2-CD2 3.81Å; Y90-L143 HydrophobicContact CD2-CG 4.25Å; Y90-L143 HydrophobicContact CE2-CD1 3.5Å; Y90-L143 HydrophobicContact CE2-CD2 4.33Å; Y90-L143 HydrophobicContact CG-CD1 4.23Å; Y90-L143 HydrophobicContact CG-CD2 3.77Å; Y90-L151 WeakPolarHBondContact CE2-O 3.39Å; Y90-L151 PolarHBondContact OH-O 2.85Å; Y90-L156 HydrophobicContact CE2-CD2 4.1Å
91	S	90.9	Very high	90.2	Very high	62 Å²	62	49.5 Å²	49.5	43%	0.434	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-44.6	176.7	-56.4	0	0	0	0	111.1	M87 E88 L89 L93 K94 V95	M87-S91 VanDerWaalsContact O-CB 3.3Å; M87-S91 WeakPolarHBondContact O-CB 3.46Å; M87-S91 PolarHBondContact O-N 3.41Å; M87-S91 PolarHBondContact O-OG 2.7Å; E88-S91 PolarHBondContact O-N 3.49Å; L89-S91 PolarHBondContact O-N 3.4Å; S91-L93 VanDerWaalsContact C-N 3.34Å; S91-L93 PolarHBondContact O-N 3.09Å; S91-K94 PolarHBondContact O-N 3.4Å; S91-V95 WeakPolarHBondContact O-CG2 3.45Å; S91-V95 PolarHBondContact O-N 2.65Å; S91-V95 VanDerWaalsContact O-N 3.09Å
92	S	90.5	Very high	90.3	Very high	22 Å²	22	50.9 Å²	50.9	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-43.5	174.2	178.8	0	0	0	0	111.9	Q54 E88 L89 Y90 K94 V95 I96	Q54-S92 PolarHBondContact NE2-OG 3.44Å; E88-S92 WeakPolarHBondContact O-CB 2.95Å; E88-S92 PolarHBondContact O-N 2.89Å; L89-S92 WeakPolarHBondContact O-CB 3.44Å; L89-S92 PolarHBondContact O-N 3.43Å; Y90-S92 VanDerWaalsContact C-N 3.35Å; S92-K94 VanDerWaalsContact C-N 3.34Å; S92-V95 PolarHBondContact O-N 2.92Å; S92-I96 WeakPolarHBondContact O-CG1 3.3Å; S92-I96 PolarHBondContact O-N 2.78Å
93	L	92.4	Very high	90.5	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-41.9	178.9	-172.2	63.4	0	0	0	111.1	T57 L89 Y90 S91 V95 I96 F97 I132 F136 M139 I153	T57-L93 HydrophobicContact CG2-CD1 3.79Å; L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 PolarHBondContact O-N 2.77Å; Y90-L93 PolarHBondContact O-N 3.09Å; S91-L93 VanDerWaalsContact C-N 3.34Å; S91-L93 PolarHBondContact O-N 3.09Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 3.37Å; L93-I96 PolarHBondContact O-N 3.38Å; L93-F97 HydrophobicContact CD1-CD1 3.96Å; L93-F97 HydrophobicContact CD1-CE1 3.4Å; L93-F97 VanDerWaalsContact CD1-CE1 3.4Å; L93-F97 HydrophobicContact CD1-CZ 4.18Å; L93-F97 HydrophobicContact CD2-CE1 4.15Å; L93-F97 HydrophobicContact CD2-CZ 4.14Å; L93-F97 HydrophobicContact CG-CD1 3.98Å; L93-F97 HydrophobicContact CG-CE1 3.56Å; L93-F97 HydrophobicContact CG-CZ 4.02Å; L93-F97 WeakPolarHBondContact O-CD1 3.23Å; L93-F97 PolarHBondContact O-N 3.48Å; L93-I132 HydrophobicContact CD1-CG2 4.25Å; L93-F136 HydrophobicContact CD1-CD2 4.4Å; L93-F136 HydrophobicContact CD1-CE1 4.36Å; L93-F136 HydrophobicContact CD1-CE2 3.83Å; L93-F136 HydrophobicContact CD1-CZ 3.79Å; L93-F136 HydrophobicContact CD2-CD1 4.17Å; L93-F136 HydrophobicContact CD2-CD2 4.18Å; L93-F136 HydrophobicContact CD2-CE1 4.33Å; L93-F136 HydrophobicContact CD2-CE2 4.37Å; L93-F136 HydrophobicContact CD2-CG 4.08Å; L93-F136 HydrophobicContact CD2-CZ 4.43Å; L93-M139 HydrophobicContact CD2-CE 3.55Å; L93-I153 HydrophobicContact CD2-CD1 3.98Å; L93-I153 HydrophobicContact CD2-CG1 4.23Å
94	K	92.4	Very high	90.7	Very high	96 Å²	96	47.1 Å²	47.1	42%	0.417	26%	0.255	S	S	.	.	H	α-helix	trans	-60.5	-39.4	177.4	-176.8	175.1	179.4	-173.7	0	112.7	Y90 S91 S92 F97 S98 L156	Y90-K94 WeakPolarHBondContact O-CB 3.49Å; Y90-K94 PolarHBondContact O-N 3.26Å; S91-K94 PolarHBondContact O-N 3.4Å; S92-K94 VanDerWaalsContact C-N 3.34Å; K94-F97 PolarHBondContact O-N 2.89Å; K94-S98 WeakPolarHBondContact O-CB 3.48Å; K94-S98 PolarHBondContact O-N 3.2Å; K94-S98 PolarHBondContact O-OG 2.88Å; K94-L156 HydrophobicContact CB-CD2 4.02Å; K94-L156 HydrophobicContact CD-CD1 4.27Å; K94-L156 HydrophobicContact CG-CD1 4.18Å; K94-L156 HydrophobicContact CG-CD2 4.05Å
95	V	93.5	Very high	90.8	Very high	81 Å²	81	41 Å²	41	49%	0.491	23%	0.229	S	C	.	.	H	α-helix	trans	-61.3	-48.8	174.5	172.5	0	0	0	0	110.5	S91 S92 L93 F97 S98 E99	S91-V95 WeakPolarHBondContact O-CG2 3.45Å; S91-V95 PolarHBondContact O-N 2.65Å; S91-V95 VanDerWaalsContact O-N 3.09Å; S92-V95 PolarHBondContact O-N 2.92Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 3.37Å; V95-F97 VanDerWaalsContact C-N 3.29Å; V95-F97 PolarHBondContact O-N 3.05Å; V95-S98 PolarHBondContact O-N 3.38Å; V95-S98 VanDerWaalsContact O-N 3.16Å; V95-E99 HydrophobicContact CG1-CG 4.45Å; V95-E99 WeakPolarHBondContact O-CG 3.36Å; V95-E99 PolarHBondContact O-N 3.18Å
96	I	93.9	Very high	90.8	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.046	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-39	179.6	-59.8	174.1	0	0	0	111.1	Q54 T57 K58 F61 S92 L93 E99 Y100	Q54-I96 HydrophobicContact CB-CD1 3.78Å; Q54-I96 HydrophobicContact CG-CD1 3.7Å; T57-I96 HydrophobicContact CG2-CG2 4Å; K58-I96 HydrophobicContact CG-CG2 3.97Å; F61-I96 HydrophobicContact CD2-CG2 3.86Å; F61-I96 HydrophobicContact CE2-CG2 3.74Å; S92-I96 WeakPolarHBondContact O-CG1 3.3Å; S92-I96 PolarHBondContact O-N 2.78Å; L93-I96 PolarHBondContact O-N 3.38Å; I96-E99 PolarHBondContact O-N 3.01Å; I96-Y100 WeakPolarHBondContact O-CB 3.17Å; I96-Y100 PolarHBondContact O-N 3.33Å
97	F	94.4	Very high	90.7	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-45.4	176.9	-79.9	29.4	0	0	0	111	T57 F61 L93 K94 V95 Y100 V101 M129 I132 I153 L156 A157 L160	T57-F97 HydrophobicContact CG2-CE1 4.23Å; F61-F97 AromaticContact CE2-CD1 3.75Å; F61-F97 HydrophobicContact CE2-CD1 3.75Å; F61-F97 HydrophobicContact CE2-CE1 4.01Å; F61-F97 AromaticContact CZ-CD1 3.54Å; F61-F97 HydrophobicContact CZ-CD1 3.54Å; F61-F97 AromaticContact CZ-CE1 3.6Å; F61-F97 HydrophobicContact CZ-CE1 3.6Å; F61-F97 HydrophobicContact CZ-CG 4.23Å; F61-F97 HydrophobicContact CZ-CZ 4.35Å; L93-F97 HydrophobicContact CD1-CD1 3.96Å; L93-F97 HydrophobicContact CD1-CE1 3.4Å; L93-F97 VanDerWaalsContact CD1-CE1 3.4Å; L93-F97 HydrophobicContact CD1-CZ 4.18Å; L93-F97 HydrophobicContact CD2-CE1 4.15Å; L93-F97 HydrophobicContact CD2-CZ 4.14Å; L93-F97 HydrophobicContact CG-CD1 3.98Å; L93-F97 HydrophobicContact CG-CE1 3.56Å; L93-F97 HydrophobicContact CG-CZ 4.02Å; L93-F97 WeakPolarHBondContact O-CD1 3.23Å; L93-F97 PolarHBondContact O-N 3.48Å; K94-F97 PolarHBondContact O-N 2.89Å; V95-F97 VanDerWaalsContact C-N 3.29Å; V95-F97 PolarHBondContact O-N 3.05Å; F97-Y100 PolarHBondContact O-N 2.96Å; F97-V101 WeakPolarHBondContact O-CB 3.41Å; F97-V101 VanDerWaalsContact O-CG2 3.26Å; F97-V101 WeakPolarHBondContact O-CG2 3.31Å; F97-V101 PolarHBondContact O-N 3.37Å; F97-M129 HydrophobicContact CD2-CE 3.91Å; F97-M129 HydrophobicContact CD2-SD 4.06Å; F97-M129 HydrophobicContact CE1-SD 4.32Å; F97-M129 HydrophobicContact CE2-CE 4.01Å; F97-M129 HydrophobicContact CE2-SD 3.51Å; F97-M129 VanDerWaalsContact CE2-SD 3.51Å; F97-M129 HydrophobicContact CG-CE 4.2Å; F97-M129 HydrophobicContact CZ-CE 4.36Å; F97-M129 HydrophobicContact CZ-SD 3.65Å; F97-I132 HydrophobicContact CE1-CD1 4.13Å; F97-I132 HydrophobicContact CE1-CG2 3.84Å; F97-I132 HydrophobicContact CZ-CB 4.45Å; F97-I132 HydrophobicContact CZ-CD1 4.4Å; F97-I132 HydrophobicContact CZ-CG2 3.69Å; F97-I153 HydrophobicContact CE2-CG2 3.8Å; F97-I153 HydrophobicContact CZ-CG2 3.74Å; F97-L156 HydrophobicContact CD2-CD2 4.18Å; F97-L156 HydrophobicContact CD2-CG 4.35Å; F97-A157 HydrophobicContact CD2-CB 4.47Å; F97-A157 HydrophobicContact CE2-CB 4.22Å; F97-L160 HydrophobicContact CB-CD1 3.49Å; F97-L160 VanDerWaalsContact CB-CD1 3.49Å; F97-L160 HydrophobicContact CD2-CD1 4.32Å; F97-L160 HydrophobicContact CG-CD1 4.44Å
98	S	93.2	Very high	90.6	Very high	40 Å²	40	43.4 Å²	43.4	28%	0.28	25%	0.246	S	C	.	.	H	α-helix	trans	-64	-43.1	-179.8	-51.1	0	0	0	0	111.1	K94 V95 Y100 V101 A102	K94-S98 WeakPolarHBondContact O-CB 3.48Å; K94-S98 PolarHBondContact O-N 3.2Å; K94-S98 PolarHBondContact O-OG 2.88Å; V95-S98 PolarHBondContact O-N 3.38Å; V95-S98 VanDerWaalsContact O-N 3.16Å; S98-Y100 PolarHBondContact O-N 3.43Å; S98-V101 PolarHBondContact O-N 3Å; S98-A102 VanDerWaalsContact O-CB 3.26Å; S98-A102 WeakPolarHBondContact O-CB 3.38Å; S98-A102 PolarHBondContact O-N 2.98Å
99	E	93	Very high	90.3	Very high	107 Å²	107	42.7 Å²	42.7	50%	0.5	25%	0.245	S	C	.	.	H	α-helix	trans	-58.8	-46.2	174.2	-73.8	175.8	-179.2	0	0	111.9	V95 I96 G103	V95-E99 HydrophobicContact CG1-CG 4.45Å; V95-E99 WeakPolarHBondContact O-CG 3.36Å; V95-E99 PolarHBondContact O-N 3.18Å; I96-E99 PolarHBondContact O-N 3.01Å; E99-G103 PolarHBondContact O-N 3.47Å
100	Y	93.6	Very high	90	Very high	44 Å²	44	49.1 Å²	49.1	17%	0.173	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-46.6	179.5	177.2	-110.3	0	0	0	112	F61 I96 F97 S98 G103 L104 Y125 K128	F61-Y100 HydrophobicContact CB-CD2 3.54Å; F61-Y100 HydrophobicContact CB-CE2 3.73Å; F61-Y100 HydrophobicContact CB-CG 4.01Å; F61-Y100 AromaticContact CD1-CD1 3.47Å; F61-Y100 HydrophobicContact CD1-CD1 3.47Å; F61-Y100 VanDerWaalsContact CD1-CD1 3.47Å; F61-Y100 AromaticContact CD1-CD2 3.98Å; F61-Y100 HydrophobicContact CD1-CD2 3.98Å; F61-Y100 AromaticContact CD1-CE1 3.58Å; F61-Y100 HydrophobicContact CD1-CE1 3.58Å; F61-Y100 HydrophobicContact CD1-CE2 4.07Å; F61-Y100 AromaticContact CD1-CG 3.67Å; F61-Y100 HydrophobicContact CD1-CG 3.67Å; F61-Y100 AromaticContact CD1-CZ 3.88Å; F61-Y100 HydrophobicContact CD2-CD1 4.46Å; F61-Y100 HydrophobicContact CD2-CD2 4.34Å; F61-Y100 AromaticContact CD2-CG 3.98Å; F61-Y100 HydrophobicContact CD2-CG 3.98Å; F61-Y100 AromaticContact CE1-CD1 3.61Å; F61-Y100 HydrophobicContact CE1-CD1 3.61Å; F61-Y100 AromaticContact CE1-CE1 3.92Å; F61-Y100 HydrophobicContact CE1-CE1 3.92Å; F61-Y100 HydrophobicContact CE1-CG 4.1Å; F61-Y100 HydrophobicContact CE2-CG 4.36Å; F61-Y100 AromaticContact CG-CD1 3.95Å; F61-Y100 HydrophobicContact CG-CD1 3.95Å; F61-Y100 AromaticContact CG-CD2 3.72Å; F61-Y100 HydrophobicContact CG-CD2 3.72Å; F61-Y100 HydrophobicContact CG-CE1 4.32Å; F61-Y100 HydrophobicContact CG-CE2 4.1Å; F61-Y100 AromaticContact CG-CG 3.62Å; F61-Y100 HydrophobicContact CG-CG 3.62Å; F61-Y100 HydrophobicContact CZ-CD1 4.16Å; F61-Y100 HydrophobicContact CZ-CG 4.42Å; F61-Y100 WeakPolarHBondContact O-CE2 3.26Å; I96-Y100 WeakPolarHBondContact O-CB 3.17Å; I96-Y100 PolarHBondContact O-N 3.33Å; F97-Y100 PolarHBondContact O-N 2.96Å; S98-Y100 PolarHBondContact O-N 3.43Å; Y100-G103 WeakPolarHBondContact O-CA 3.26Å; Y100-G103 PolarHBondContact O-N 2.86Å; Y100-G103 VanDerWaalsContact O-N 3.12Å; Y100-L104 HydrophobicContact CD1-CD1 4.47Å; Y100-L104 HydrophobicContact CE1-CD1 4.02Å; Y100-L104 HydrophobicContact CE1-CG 4.45Å; Y100-L104 HydrophobicContact CE2-CD2 4.47Å; Y100-L104 PolarHBondContact O-N 3.5Å; Y100-Y125 HydrophobicContact CD1-CE2 4.29Å; Y100-Y125 AromaticContact CE1-CD2 3.89Å; Y100-Y125 HydrophobicContact CE1-CD2 3.89Å; Y100-Y125 HydrophobicContact CE1-CE2 4.12Å; Y100-K128 WeakPolarHBondContact OH-CD 3.49Å; Y100-K128 PolarHBondContact OH-NZ 3.28Å
101	V	92.9	Very high	89.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-41	180	175.8	0	0	0	0	111.2	F97 S98 G103 L104 Y125 L160 D164 V165	F97-V101 WeakPolarHBondContact O-CB 3.41Å; F97-V101 VanDerWaalsContact O-CG2 3.26Å; F97-V101 WeakPolarHBondContact O-CG2 3.31Å; F97-V101 PolarHBondContact O-N 3.37Å; S98-V101 PolarHBondContact O-N 3Å; V101-G103 PolarHBondContact O-N 3.49Å; V101-L104 WeakPolarHBondContact O-CB 3.3Å; V101-L104 PolarHBondContact O-N 3.37Å; V101-Y125 HydrophobicContact CG2-CE2 3.84Å; V101-L160 HydrophobicContact CG1-CB 4.41Å; V101-L160 HydrophobicContact CG2-CB 4.06Å; V101-D164 HydrophobicContact CG1-CB 3.69Å; V101-V165 HydrophobicContact CG1-CG2 3.51Å
102	A	89.6	Confident	88.5	Confident	46 Å²	46	55.2 Å²	55.2	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-58.4	-38.5	172.3	0	0	0	0	0	111.7	S98 L104 Q105 P106	S98-A102 VanDerWaalsContact O-CB 3.26Å; S98-A102 WeakPolarHBondContact O-CB 3.38Å; S98-A102 PolarHBondContact O-N 2.98Å; A102-L104 PolarHBondContact O-N 3.37Å; A102-Q105 WeakPolarHBondContact O-CB 3.42Å; A102-Q105 PolarHBondContact O-N 3.03Å; A102-P106 WeakPolarHBondContact O-CD 3.46Å
103	G	89.8	Confident	87.9	Confident	45 Å²	45	55.5 Å²	55.5	46%	0.464	32%	0.318	S	S	.	.	H	α-helix	trans	-65.2	-18.5	173.8	0	0	0	0	0	115	E99 Y100 V101	E99-G103 PolarHBondContact O-N 3.47Å; Y100-G103 WeakPolarHBondContact O-CA 3.26Å; Y100-G103 PolarHBondContact O-N 2.86Å; Y100-G103 VanDerWaalsContact O-N 3.12Å; V101-G103 PolarHBondContact O-N 3.49Å
104	L	89.2	Confident	87.7	Confident	8 Å²	8	61.2 Å²	61.2	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-79.8	-31.6	174.5	-60.8	177.9	0	0	0	112.2	Y100 V101 A102 P106 Q107 F108 Y125 F161	Y100-L104 HydrophobicContact CD1-CD1 4.47Å; Y100-L104 HydrophobicContact CE1-CD1 4.02Å; Y100-L104 HydrophobicContact CE1-CG 4.45Å; Y100-L104 HydrophobicContact CE2-CD2 4.47Å; Y100-L104 PolarHBondContact O-N 3.5Å; V101-L104 WeakPolarHBondContact O-CB 3.3Å; V101-L104 PolarHBondContact O-N 3.37Å; A102-L104 PolarHBondContact O-N 3.37Å; L104-P106 VanDerWaalsContact C-CD 3.45Å; L104-Q107 WeakPolarHBondContact O-CB 3.47Å; L104-Q107 PolarHBondContact O-N 3.32Å; L104-F108 HydrophobicContact CB-CD2 4.48Å; L104-F108 HydrophobicContact CB-CE2 4.27Å; L104-F108 WeakPolarHBondContact O-CD2 3.37Å; L104-Y125 HydrophobicContact CD1-CD2 4.05Å; L104-Y125 HydrophobicContact CD1-CE2 4.41Å; L104-F161 HydrophobicContact CD1-CE2 4.24Å
105	Q	85.2	Confident	87.7	Confident	57 Å²	57	57.1 Å²	57.1	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-51	-46	-173.7	-66.4	178.5	-7.4	0	0	114.5	A102 Q107 F108 L109 D164	A102-Q105 WeakPolarHBondContact O-CB 3.42Å; A102-Q105 PolarHBondContact O-N 3.03Å; Q105-Q107 PolarHBondContact O-N 2.9Å; Q105-Q107 VanDerWaalsContact O-N 3.13Å; Q105-F108 PolarHBondContact O-N 3.48Å; Q105-F108 VanDerWaalsContact O-N 3.11Å; Q105-L109 WeakPolarHBondContact O-CG 3.38Å; Q105-L109 PolarHBondContact O-N 2.82Å; Q105-D164 WeakPolarHBondContact CG-O 3.37Å; Q105-D164 PolarHBondContact NE2-O 3.09Å
106	P	86.1	Confident	87.7	Confident	80 Å²	80	55.9 Å²	55.9	52%	0.519	32%	0.323	S	S	.	.	H	α-helix	trans	-60.4	-29.2	-178	-23.8	35.3	0	0	0	113	A102 L104 L109 K110	A102-P106 WeakPolarHBondContact O-CD 3.46Å; L104-P106 VanDerWaalsContact C-CD 3.45Å; P106-L109 PolarHBondContact O-N 3.37Å; P106-K110 WeakPolarHBondContact O-CG 3.37Å; P106-K110 PolarHBondContact O-N 2.85Å
107	Q	85.6	Confident	87.5	Confident	90 Å²	90	56.8 Å²	56.8	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-70.3	-43.3	178.6	-56.2	-179.1	44.4	0	0	110.9	L104 Q105 L109 K110 F113	L104-Q107 WeakPolarHBondContact O-CB 3.47Å; L104-Q107 PolarHBondContact O-N 3.32Å; Q105-Q107 PolarHBondContact O-N 2.9Å; Q105-Q107 VanDerWaalsContact O-N 3.13Å; Q107-L109 VanDerWaalsContact C-N 3.3Å; Q107-L109 PolarHBondContact O-N 3.15Å; Q107-K110 PolarHBondContact O-N 3.3Å; Q107-F113 WeakPolarHBondContact O-CD2 3.38Å
108	F	86.1	Confident	87.4	Confident	1 Å²	1	57 Å²	57	0%	0.004	33%	0.332	C	S	.	.	H	α-helix	trans	-68.2	-29.3	175.2	-73.5	-93.8	0	0	0	112	L104 Q105 K110 F113 V118 C121 F161 V165 I166 V171 R174	L104-F108 HydrophobicContact CB-CD2 4.48Å; L104-F108 HydrophobicContact CB-CE2 4.27Å; L104-F108 WeakPolarHBondContact O-CD2 3.37Å; Q105-F108 PolarHBondContact O-N 3.48Å; Q105-F108 VanDerWaalsContact O-N 3.11Å; F108-K110 VanDerWaalsContact C-N 3.31Å; F108-K110 PolarHBondContact O-N 3.44Å; F108-F113 HydrophobicContact CD1-CD1 4.19Å; F108-F113 AromaticContact CD1-CE1 3.42Å; F108-F113 HydrophobicContact CD1-CE1 3.42Å; F108-F113 VanDerWaalsContact CD1-CE1 3.42Å; F108-F113 AromaticContact CD1-CZ 3.89Å; F108-F113 HydrophobicContact CD1-CZ 3.89Å; F108-F113 AromaticContact CE1-CE1 3.63Å; F108-F113 HydrophobicContact CE1-CE1 3.63Å; F108-F113 AromaticContact CE1-CZ 3.93Å; F108-F113 HydrophobicContact CE1-CZ 3.93Å; F108-F113 HydrophobicContact CG-CE1 4.06Å; F108-F113 HydrophobicContact CG-CZ 4.21Å; F108-F113 HydrophobicContact CZ-CE1 4.41Å; F108-F113 HydrophobicContact CZ-CZ 4.27Å; F108-V118 HydrophobicContact CE1-CB 4.48Å; F108-V118 HydrophobicContact CE1-CG1 4.33Å; F108-V118 HydrophobicContact CE1-CG2 4.21Å; F108-C121 HydrophobicContact CE2-CB 4.29Å; F108-C121 VanDerWaalsContact CE2-SG 3.52Å; F108-C121 HydrophobicContact CZ-CB 3.82Å; F108-C121 VanDerWaalsContact CZ-SG 3.58Å; F108-F161 HydrophobicContact CZ-CE2 4.45Å; F108-F161 HydrophobicContact CZ-CZ 4Å; F108-V165 HydrophobicContact CB-CG1 4.4Å; F108-V165 HydrophobicContact CD1-CG1 3.95Å; F108-V165 HydrophobicContact CD2-CG1 3.44Å; F108-V165 VanDerWaalsContact CD2-CG1 3.44Å; F108-V165 HydrophobicContact CE1-CG1 4.03Å; F108-V165 HydrophobicContact CE2-CG1 3.54Å; F108-V165 HydrophobicContact CG-CG1 3.67Å; F108-V165 HydrophobicContact CZ-CG1 3.84Å; F108-I166 HydrophobicContact CE1-CD1 4.44Å; F108-V171 HydrophobicContact CB-CG1 4.13Å; F108-V171 HydrophobicContact CB-CG2 3.81Å; F108-V171 HydrophobicContact CD1-CG1 3.94Å; F108-V171 HydrophobicContact CG-CG1 4.39Å; F108-R174 PolarHBondContact O-NH1 2.87Å; F108-R174 PolarHBondContact O-NH2 2.91Å
109	L	83.1	Confident	87.5	Confident	86 Å²	86	55.8 Å²	55.8	45%	0.45	33%	0.325	S	S	.	.	H	α-helix	trans	-79.1	-10	178.8	-68	171.2	0	0	0	114.1	Q105 P106 Q107 V111 K170 V171	Q105-L109 WeakPolarHBondContact O-CG 3.38Å; Q105-L109 PolarHBondContact O-N 2.82Å; P106-L109 PolarHBondContact O-N 3.37Å; Q107-L109 VanDerWaalsContact C-N 3.3Å; Q107-L109 PolarHBondContact O-N 3.15Å; L109-V111 PolarHBondContact O-N 3.07Å; L109-K170 HydrophobicContact CD2-CB 4.1Å; L109-K170 HydrophobicContact CD2-CD 4.42Å; L109-V171 HydrophobicContact CD2-CG2 3.97Å
110	K	83.1	Confident	87.5	Confident	137 Å²	137	57 Å²	57	60%	0.596	33%	0.33	S	S	*	.	S	Bend	trans	-60.1	130.6	176.3	-69.4	-176.1	-178.4	-180	0	110.8	P106 Q107 F108 G112 F113 R174	P106-K110 WeakPolarHBondContact O-CG 3.37Å; P106-K110 PolarHBondContact O-N 2.85Å; Q107-K110 PolarHBondContact O-N 3.3Å; F108-K110 VanDerWaalsContact C-N 3.31Å; F108-K110 PolarHBondContact O-N 3.44Å; K110-G112 PolarHBondContact O-N 3.1Å; K110-F113 WeakPolarHBondContact O-CB 3.29Å; K110-F113 PolarHBondContact O-N 3.2Å; K110-R174 PolarHBondContact O-NH1 3.36Å
111	V	74.3	Confident	87.4	Confident	151 Å²	151	55.8 Å²	55.8	92%	0.915	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	133.8	173.1	-179	0	0	0	0	108.9	L109	L109-V111 PolarHBondContact O-N 3.07Å
112	G	76	Confident	87.5	Confident	56 Å²	56	56.5 Å²	56.5	58%	0.577	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	5	-178.3	0	0	0	0	0	115.8	K110 Q114	K110-G112 PolarHBondContact O-N 3.1Å; G112-Q114 WeakPolarHBondContact O-CG 3.29Å; G112-Q114 PolarHBondContact O-N 3.24Å
113	F	79.5	Confident	87.7	Confident	28 Å²	28	55.7 Å²	55.7	12%	0.123	33%	0.327	C	S	.	.			trans	-63.7	124.7	174.2	-173	-92.7	0	0	0	110.9	Q107 F108 K110 A117 V118 R174 Q178	Q107-F113 WeakPolarHBondContact O-CD2 3.38Å; F108-F113 HydrophobicContact CD1-CD1 4.19Å; F108-F113 AromaticContact CD1-CE1 3.42Å; F108-F113 HydrophobicContact CD1-CE1 3.42Å; F108-F113 VanDerWaalsContact CD1-CE1 3.42Å; F108-F113 AromaticContact CD1-CZ 3.89Å; F108-F113 HydrophobicContact CD1-CZ 3.89Å; F108-F113 AromaticContact CE1-CE1 3.63Å; F108-F113 HydrophobicContact CE1-CE1 3.63Å; F108-F113 AromaticContact CE1-CZ 3.93Å; F108-F113 HydrophobicContact CE1-CZ 3.93Å; F108-F113 HydrophobicContact CG-CE1 4.06Å; F108-F113 HydrophobicContact CG-CZ 4.21Å; F108-F113 HydrophobicContact CZ-CE1 4.41Å; F108-F113 HydrophobicContact CZ-CZ 4.27Å; K110-F113 WeakPolarHBondContact O-CB 3.29Å; K110-F113 PolarHBondContact O-N 3.2Å; F113-A117 HydrophobicContact CD1-CB 4.34Å; F113-A117 HydrophobicContact CD2-CB 3.84Å; F113-A117 HydrophobicContact CE1-CB 3.97Å; F113-A117 HydrophobicContact CE2-CB 3.41Å; F113-A117 VanDerWaalsContact CE2-CB 3.41Å; F113-A117 HydrophobicContact CG-CB 4.29Å; F113-A117 HydrophobicContact CZ-CB 3.49Å; F113-A117 VanDerWaalsContact CZ-CB 3.49Å; F113-V118 HydrophobicContact CD1-CG2 3.98Å; F113-V118 HydrophobicContact CE1-CB 4.33Å; F113-V118 HydrophobicContact CE1-CG2 3.48Å; F113-V118 VanDerWaalsContact CE1-CG2 3.48Å; F113-R174 PolarHBondContact O-NE 3.45Å; F113-Q178 PolarHBondContact O-NE2 3.49Å
114	Q	88.2	Confident	87.9	Confident	124 Å²	124	57.2 Å²	57.2	58%	0.579	32%	0.324	S	S	*	.			trans	-100.3	163.2	-168.9	-61	179.9	-31.7	0	0	112.1	G112 S116 A117 V118	G112-Q114 WeakPolarHBondContact O-CG 3.29Å; G112-Q114 PolarHBondContact O-N 3.24Å; Q114-S116 PolarHBondContact O-N 2.91Å; Q114-A117 WeakPolarHBondContact O-CB 3.41Å; Q114-A117 PolarHBondContact O-N 2.72Å; Q114-V118 PolarHBondContact O-N 3.47Å
115	L	91.3	Very high	88.1	Confident	9 Å²	9	57 Å²	57	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-53.6	-37.8	173.9	-67.5	-179.7	0	0	0	113.4	A117 V118 A119 L175 Q178 I179 E182 L196 L197 V200	L115-A117 VanDerWaalsContact C-N 3.28Å; L115-A117 PolarHBondContact O-N 3.2Å; L115-V118 WeakPolarHBondContact O-CB 3.17Å; L115-V118 PolarHBondContact O-N 3.41Å; L115-V118 VanDerWaalsContact O-N 3.1Å; L115-A119 PolarHBondContact O-N 2.88Å; L115-L175 HydrophobicContact CD2-CD1 3.57Å; L115-Q178 HydrophobicContact CD1-CB 4.03Å; L115-Q178 HydrophobicContact CD2-CB 3.78Å; L115-Q178 HydrophobicContact CG-CB 3.74Å; L115-I179 HydrophobicContact CD1-CG1 4.43Å; L115-I179 HydrophobicContact CD2-CG1 3.89Å; L115-E182 HydrophobicContact CD1-CG 3.79Å; L115-L196 HydrophobicContact CB-CD1 4.4Å; L115-L196 HydrophobicContact CB-CD2 3.92Å; L115-L196 HydrophobicContact CB-CG 4.22Å; L115-L197 HydrophobicContact CD1-CD2 4.12Å; L115-V200 HydrophobicContact CD2-CG1 4.31Å
116	S	92.6	Very high	88.6	Confident	56 Å²	56	55.2 Å²	55.2	39%	0.392	32%	0.316	S	S	.	.	H	α-helix	trans	-57.7	-41.6	177.3	55.1	0	0	0	0	112	Q114 A119 Q120	Q114-S116 PolarHBondContact O-N 2.91Å; S116-A119 PolarHBondContact O-N 3.44Å; S116-Q120 WeakPolarHBondContact O-CB 3.33Å; S116-Q120 PolarHBondContact O-N 3.23Å
117	A	90.9	Very high	88.9	Confident	27 Å²	27	58.6 Å²	58.6	22%	0.223	32%	0.323	C	S	.	.	H	α-helix	trans	-70.1	-36.1	176.3	0	0	0	0	0	111.9	F113 Q114 L115 C121	F113-A117 HydrophobicContact CD1-CB 4.34Å; F113-A117 HydrophobicContact CD2-CB 3.84Å; F113-A117 HydrophobicContact CE1-CB 3.97Å; F113-A117 HydrophobicContact CE2-CB 3.41Å; F113-A117 VanDerWaalsContact CE2-CB 3.41Å; F113-A117 HydrophobicContact CG-CB 4.29Å; F113-A117 HydrophobicContact CZ-CB 3.49Å; F113-A117 VanDerWaalsContact CZ-CB 3.49Å; Q114-A117 WeakPolarHBondContact O-CB 3.41Å; Q114-A117 PolarHBondContact O-N 2.72Å; L115-A117 VanDerWaalsContact C-N 3.28Å; L115-A117 PolarHBondContact O-N 3.2Å; A117-C121 WeakPolarHBondContact O-CB 3.36Å; A117-C121 PolarHBondContact O-N 3.29Å
118	V	92.7	Very high	89.4	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.03	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-51.6	171.8	179.1	0	0	0	0	110.1	F108 F113 Q114 L115 Q120 C121 W122 L175 M203	F108-V118 HydrophobicContact CE1-CB 4.48Å; F108-V118 HydrophobicContact CE1-CG1 4.33Å; F108-V118 HydrophobicContact CE1-CG2 4.21Å; F113-V118 HydrophobicContact CD1-CG2 3.98Å; F113-V118 HydrophobicContact CE1-CB 4.33Å; F113-V118 HydrophobicContact CE1-CG2 3.48Å; F113-V118 VanDerWaalsContact CE1-CG2 3.48Å; Q114-V118 PolarHBondContact O-N 3.47Å; L115-V118 WeakPolarHBondContact O-CB 3.17Å; L115-V118 PolarHBondContact O-N 3.41Å; L115-V118 VanDerWaalsContact O-N 3.1Å; V118-Q120 PolarHBondContact O-N 3.21Å; V118-C121 PolarHBondContact O-N 3.35Å; V118-W122 WeakPolarHBondContact O-CB 3.5Å; V118-W122 PolarHBondContact O-N 3.2Å; V118-L175 HydrophobicContact CG1-CD1 4.14Å; V118-L175 HydrophobicContact CG2-CD1 4.06Å; V118-M203 HydrophobicContact CG1-CE 3.93Å; V118-M203 HydrophobicContact CG1-SD 4.02Å
119	A	94	Very high	89.7	Confident	14 Å²	14	55.6 Å²	55.6	12%	0.116	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-41.4	-178.5	0	0	0	0	0	112.4	L115 S116 W122 G123 L196 T199 V200	L115-A119 PolarHBondContact O-N 2.88Å; S116-A119 PolarHBondContact O-N 3.44Å; A119-W122 PolarHBondContact O-N 3.33Å; A119-G123 PolarHBondContact O-N 2.95Å; A119-L196 HydrophobicContact CB-CD1 3.36Å; A119-T199 HydrophobicContact CB-CG2 3.91Å; A119-V200 HydrophobicContact CB-CG2 4.05Å
120	Q	93	Very high	90.2	Very high	132 Å²	132	55.2 Å²	55.2	62%	0.617	31%	0.307	S	S	*	.	H	α-helix	trans	-63.4	-46.9	175.3	-174.9	-177.5	9.1	0	0	111.3	S116 V118 W122 G123 L124	S116-Q120 WeakPolarHBondContact O-CB 3.33Å; S116-Q120 PolarHBondContact O-N 3.23Å; V118-Q120 PolarHBondContact O-N 3.21Å; Q120-W122 PolarHBondContact O-N 2.73Å; Q120-G123 PolarHBondContact O-N 2.97Å; Q120-L124 HydrophobicContact CG-CD1 4.15Å; Q120-L124 WeakPolarHBondContact O-CB 3.35Å; Q120-L124 WeakPolarHBondContact O-CG 3.18Å; Q120-L124 PolarHBondContact O-N 3.48Å
121	C	92.6	Very high	90.6	Very high	19 Å²	19	51.7 Å²	51.7	13%	0.128	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-45.8	178.3	-171	0	0	0	0	111	F108 A117 V118 L124 Y125	F108-C121 HydrophobicContact CE2-CB 4.29Å; F108-C121 VanDerWaalsContact CE2-SG 3.52Å; F108-C121 HydrophobicContact CZ-CB 3.82Å; F108-C121 VanDerWaalsContact CZ-SG 3.58Å; A117-C121 WeakPolarHBondContact O-CB 3.36Å; A117-C121 PolarHBondContact O-N 3.29Å; V118-C121 PolarHBondContact O-N 3.35Å; C121-L124 PolarHBondContact O-N 2.99Å; C121-Y125 VanDerWaalsContact O-CB 3.24Å; C121-Y125 WeakPolarHBondContact O-CB 3.33Å; C121-Y125 PolarHBondContact O-N 3.28Å
122	W	94.6	Very high	91.6	Very high	16 Å²	16	44.5 Å²	44.5	6%	0.061	25%	0.25	C	S	.	.	H	α-helix	trans	-59	-48.1	175.1	175.3	-117.5	0	0	0	112.5	V118 A119 Q120 L124 Y125 C126 L158 F161 M203 D206 L207	V118-W122 WeakPolarHBondContact O-CB 3.5Å; V118-W122 PolarHBondContact O-N 3.2Å; A119-W122 PolarHBondContact O-N 3.33Å; Q120-W122 PolarHBondContact O-N 2.73Å; W122-L124 VanDerWaalsContact C-N 3.35Å; W122-L124 PolarHBondContact O-N 3.13Å; W122-Y125 HydrophobicContact CE3-CD1 4.15Å; W122-Y125 AromaticContact CZ3-CD1 3.99Å; W122-Y125 HydrophobicContact CZ3-CD1 3.99Å; W122-Y125 HydrophobicContact CZ3-CE1 4.41Å; W122-Y125 WeakPolarHBondContact O-CB 3.47Å; W122-Y125 PolarHBondContact O-N 3.45Å; W122-C126 WeakPolarHBondContact CZ2-SG 3.29Å; W122-C126 WeakPolarHBondContact O-CB 3.49Å; W122-C126 PolarHBondContact O-N 3.46Å; W122-C126 PolarHBondContact O-SG 3.33Å; W122-C126 VanDerWaalsContact O-SG 3.39Å; W122-L158 HydrophobicContact CH2-CD2 3.55Å; W122-L158 HydrophobicContact CZ2-CD2 4.43Å; W122-L158 HydrophobicContact CZ3-CD2 4.35Å; W122-F161 AromaticContact CE3-CD1 3.82Å; W122-F161 HydrophobicContact CE3-CD1 3.82Å; W122-F161 AromaticContact CE3-CE1 3.58Å; W122-F161 HydrophobicContact CE3-CE1 3.58Å; W122-F161 HydrophobicContact CE3-CE2 4.5Å; W122-F161 HydrophobicContact CE3-CG 4.37Å; W122-F161 AromaticContact CE3-CZ 3.96Å; W122-F161 HydrophobicContact CE3-CZ 3.96Å; W122-F161 AromaticContact CZ3-CD1 3.68Å; W122-F161 HydrophobicContact CZ3-CD1 3.68Å; W122-F161 AromaticContact CZ3-CE1 3.95Å; W122-F161 HydrophobicContact CZ3-CE1 3.95Å; W122-F161 HydrophobicContact CZ3-CG 4.1Å; W122-M203 HydrophobicContact CB-SD 3.98Å; W122-M203 HydrophobicContact CD2-CB 3.95Å; W122-M203 HydrophobicContact CD2-CG 3.49Å; W122-M203 VanDerWaalsContact CD2-CG 3.49Å; W122-M203 HydrophobicContact CD2-SD 3.99Å; W122-M203 HydrophobicContact CE3-CG 3.79Å; W122-M203 HydrophobicContact CE3-SD 4.14Å; W122-M203 HydrophobicContact CG-CB 3.98Å; W122-M203 HydrophobicContact CG-CG 3.83Å; W122-M203 HydrophobicContact CG-SD 3.93Å; W122-M203 HydrophobicContact CH2-CG 4.23Å; W122-M203 HydrophobicContact CZ2-CB 4.21Å; W122-M203 HydrophobicContact CZ2-CG 3.99Å; W122-M203 HydrophobicContact CZ3-CG 4.15Å; W122-D206 HydrophobicContact CZ2-CB 4.13Å; W122-L207 HydrophobicContact CH2-CD2 3.93Å; W122-L207 HydrophobicContact CH2-CG 4.25Å; W122-L207 HydrophobicContact CZ3-CD2 4.01Å; W122-L207 HydrophobicContact CZ3-CG 4.45Å
123	G	94.2	Very high	92.4	Very high	28 Å²	28	45.3 Å²	45.3	29%	0.289	24%	0.236	S	C	.	.	H	α-helix	trans	-61.6	-41.8	178.7	0	0	0	0	0	112.7	A119 Q120 K127	A119-G123 PolarHBondContact O-N 2.95Å; Q120-G123 PolarHBondContact O-N 2.97Å; G123-K127 VanDerWaalsContact O-CG 3.32Å; G123-K127 WeakPolarHBondContact O-CG 3.35Å; G123-K127 PolarHBondContact O-N 3.21Å; G123-K127 VanDerWaalsContact O-N 3.13Å
124	L	93.1	Very high	92.9	Very high	78 Å²	78	48.7 Å²	48.7	41%	0.408	26%	0.255	S	S	.	.	H	α-helix	trans	-66.8	-42	174.7	-71.4	173	0	0	0	111.7	Q120 C121 W122 K127 K128	Q120-L124 HydrophobicContact CG-CD1 4.15Å; Q120-L124 WeakPolarHBondContact O-CB 3.35Å; Q120-L124 WeakPolarHBondContact O-CG 3.18Å; Q120-L124 PolarHBondContact O-N 3.48Å; C121-L124 PolarHBondContact O-N 2.99Å; W122-L124 VanDerWaalsContact C-N 3.35Å; W122-L124 PolarHBondContact O-N 3.13Å; L124-K127 PolarHBondContact O-N 2.85Å; L124-K128 VanDerWaalsContact O-CG 3.29Å; L124-K128 WeakPolarHBondContact O-CG 3.34Å; L124-K128 PolarHBondContact O-N 3.44Å
125	Y	94.6	Very high	93.1	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-51.4	176.8	-175.9	-103.6	0	0	0	111.2	Y100 V101 L104 C121 W122 K127 K128 M129 A157 F161	Y100-Y125 HydrophobicContact CD1-CE2 4.29Å; Y100-Y125 AromaticContact CE1-CD2 3.89Å; Y100-Y125 HydrophobicContact CE1-CD2 3.89Å; Y100-Y125 HydrophobicContact CE1-CE2 4.12Å; V101-Y125 HydrophobicContact CG2-CE2 3.84Å; L104-Y125 HydrophobicContact CD1-CD2 4.05Å; L104-Y125 HydrophobicContact CD1-CE2 4.41Å; C121-Y125 VanDerWaalsContact O-CB 3.24Å; C121-Y125 WeakPolarHBondContact O-CB 3.33Å; C121-Y125 PolarHBondContact O-N 3.28Å; W122-Y125 HydrophobicContact CE3-CD1 4.15Å; W122-Y125 AromaticContact CZ3-CD1 3.99Å; W122-Y125 HydrophobicContact CZ3-CD1 3.99Å; W122-Y125 HydrophobicContact CZ3-CE1 4.41Å; W122-Y125 WeakPolarHBondContact O-CB 3.47Å; W122-Y125 PolarHBondContact O-N 3.45Å; Y125-K127 PolarHBondContact O-N 3.39Å; Y125-K128 PolarHBondContact O-N 3.42Å; Y125-M129 HydrophobicContact CD1-CG 4.23Å; Y125-M129 HydrophobicContact CD2-CE 4.19Å; Y125-M129 HydrophobicContact CD2-CG 4.45Å; Y125-M129 HydrophobicContact CE1-CE 4.38Å; Y125-M129 HydrophobicContact CE1-CG 3.96Å; Y125-M129 HydrophobicContact CE2-CE 3.3Å; Y125-M129 HydrophobicContact CE2-CG 4.18Å; Y125-M129 HydrophobicContact CG-CG 4.47Å; Y125-M129 VanDerWaalsContact CZ-CE 3.44Å; Y125-M129 WeakPolarHBondContact O-CB 3.05Å; Y125-M129 VanDerWaalsContact O-CG 3.28Å; Y125-M129 WeakPolarHBondContact O-CG 2.95Å; Y125-M129 PolarHBondContact O-N 2.96Å; Y125-M129 WeakPolarHBondContact OH-CE 3.1Å; Y125-A157 HydrophobicContact CE1-CB 4.24Å; Y125-A157 WeakPolarHBondContact OH-CA 3.29Å; Y125-A157 PolarHBondContact OH-O 3.25Å; Y125-F161 HydrophobicContact CD1-CB 4.41Å; Y125-F161 AromaticContact CD1-CD2 3.76Å; Y125-F161 HydrophobicContact CD1-CD2 3.76Å; Y125-F161 HydrophobicContact CD1-CE2 4.27Å; Y125-F161 HydrophobicContact CD1-CG 4.16Å; Y125-F161 AromaticContact CD2-CD2 3.95Å; Y125-F161 HydrophobicContact CD2-CD2 3.95Å; Y125-F161 HydrophobicContact CD2-CE2 4.3Å; Y125-F161 HydrophobicContact CE1-CB 3.68Å; Y125-F161 AromaticContact CE1-CD2 3.74Å; Y125-F161 HydrophobicContact CE1-CD2 3.74Å; Y125-F161 AromaticContact CE1-CG 3.9Å; Y125-F161 HydrophobicContact CE1-CG 3.9Å; Y125-F161 AromaticContact CE2-CD2 3.96Å; Y125-F161 HydrophobicContact CE2-CD2 3.96Å; Y125-F161 AromaticContact CG-CD2 3.86Å; Y125-F161 HydrophobicContact CG-CD2 3.86Å; Y125-F161 HydrophobicContact CG-CE2 4.07Å; Y125-F161 AromaticContact CZ-CD2 3.83Å
126	C	94.9	Very high	93.2	Very high	21 Å²	21	42.6 Å²	42.6	14%	0.142	23%	0.226	C	C	.	.	H	α-helix	trans	-58.5	-44.8	177.1	-73.1	0	0	0	0	112.5	W122 K128 M129 L130 W154	W122-C126 WeakPolarHBondContact CZ2-SG 3.29Å; W122-C126 WeakPolarHBondContact O-CB 3.49Å; W122-C126 PolarHBondContact O-N 3.46Å; W122-C126 PolarHBondContact O-SG 3.33Å; W122-C126 VanDerWaalsContact O-SG 3.39Å; C126-K128 PolarHBondContact O-N 2.89Å; C126-M129 PolarHBondContact O-N 3.49Å; C126-L130 WeakPolarHBondContact O-CB 3.35Å; C126-L130 WeakPolarHBondContact O-CG 3.34Å; C126-L130 PolarHBondContact O-N 2.86Å; C126-W154 HydrophobicContact CB-CH2 4.09Å
127	K	93.7	Very high	93.2	Very high	150 Å²	150	42.1 Å²	42.1	65%	0.652	22%	0.219	S	C	*	.	H	α-helix	trans	-60	-45.9	177.1	-75.3	175.8	-178.1	-178.6	0	111.9	G123 L124 Y125 L131	G123-K127 VanDerWaalsContact O-CG 3.32Å; G123-K127 WeakPolarHBondContact O-CG 3.35Å; G123-K127 PolarHBondContact O-N 3.21Å; G123-K127 VanDerWaalsContact O-N 3.13Å; L124-K127 PolarHBondContact O-N 2.85Å; Y125-K127 PolarHBondContact O-N 3.39Å; K127-L131 PolarHBondContact O-N 2.89Å; K127-L131 VanDerWaalsContact O-N 3.13Å
128	K	94.4	Very high	93.2	Very high	27 Å²	27	43.5 Å²	43.5	12%	0.117	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-45.1	177.6	-71.3	173.8	176.4	-167.6	0	111.2	V60 F61 S63 Y100 L124 Y125 C126 L131 I132	V60-K128 HydrophobicContact CG1-CB 4.12Å; V60-K128 HydrophobicContact CG1-CG 4.28Å; F61-K128 HydrophobicContact CD1-CB 4.38Å; F61-K128 HydrophobicContact CD1-CD 4.45Å; F61-K128 PolarHBondContact O-NZ 3.25Å; S63-K128 WeakPolarHBondContact OG-CE 3.35Å; S63-K128 PolarHBondContact OG-NZ 3.05Å; S63-K128 VanDerWaalsContact OG-NZ 3.15Å; Y100-K128 WeakPolarHBondContact OH-CD 3.49Å; Y100-K128 PolarHBondContact OH-NZ 3.28Å; L124-K128 VanDerWaalsContact O-CG 3.29Å; L124-K128 WeakPolarHBondContact O-CG 3.34Å; L124-K128 PolarHBondContact O-N 3.44Å; Y125-K128 PolarHBondContact O-N 3.42Å; C126-K128 PolarHBondContact O-N 2.89Å; K128-L131 PolarHBondContact O-N 3.29Å; K128-I132 WeakPolarHBondContact O-CG1 3.27Å; K128-I132 PolarHBondContact O-N 3.15Å
129	M	93.9	Very high	93.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-68.4	-36.1	-179.3	-68.6	-59.9	-179.3	0	0	113.3	F61 F97 Y125 C126 I132 R133 W154 A157	F61-M129 HydrophobicContact CE1-CE 3.45Å; F61-M129 VanDerWaalsContact CE1-CE 3.45Å; F61-M129 HydrophobicContact CE1-SD 3.92Å; F61-M129 HydrophobicContact CZ-CE 3.55Å; F61-M129 HydrophobicContact CZ-SD 4.05Å; F97-M129 HydrophobicContact CD2-CE 3.91Å; F97-M129 HydrophobicContact CD2-SD 4.06Å; F97-M129 HydrophobicContact CE1-SD 4.32Å; F97-M129 HydrophobicContact CE2-CE 4.01Å; F97-M129 HydrophobicContact CE2-SD 3.51Å; F97-M129 VanDerWaalsContact CE2-SD 3.51Å; F97-M129 HydrophobicContact CG-CE 4.2Å; F97-M129 HydrophobicContact CZ-CE 4.36Å; F97-M129 HydrophobicContact CZ-SD 3.65Å; Y125-M129 HydrophobicContact CD1-CG 4.23Å; Y125-M129 HydrophobicContact CD2-CE 4.19Å; Y125-M129 HydrophobicContact CD2-CG 4.45Å; Y125-M129 HydrophobicContact CE1-CE 4.38Å; Y125-M129 HydrophobicContact CE1-CG 3.96Å; Y125-M129 HydrophobicContact CE2-CE 3.3Å; Y125-M129 HydrophobicContact CE2-CG 4.18Å; Y125-M129 HydrophobicContact CG-CG 4.47Å; Y125-M129 VanDerWaalsContact CZ-CE 3.44Å; Y125-M129 WeakPolarHBondContact O-CB 3.05Å; Y125-M129 VanDerWaalsContact O-CG 3.28Å; Y125-M129 WeakPolarHBondContact O-CG 2.95Å; Y125-M129 PolarHBondContact O-N 2.96Å; Y125-M129 WeakPolarHBondContact OH-CE 3.1Å; C126-M129 PolarHBondContact O-N 3.49Å; M129-I132 PolarHBondContact O-N 3.22Å; M129-I132 HydrophobicContact SD-CD1 4.33Å; M129-R133 VanDerWaalsContact O-CB 3.31Å; M129-R133 WeakPolarHBondContact O-CB 3.27Å; M129-R133 PolarHBondContact O-N 2.97Å; M129-W154 HydrophobicContact CB-CE3 4.31Å; M129-W154 HydrophobicContact CB-CZ3 3.99Å; M129-A157 HydrophobicContact CB-CB 4.19Å; M129-A157 HydrophobicContact CE-CB 4.09Å; M129-A157 HydrophobicContact CG-CB 3.7Å; M129-A157 HydrophobicContact SD-CB 3.67Å
130	L	92.9	Very high	92.9	Very high	79 Å²	79	42.6 Å²	42.6	41%	0.414	21%	0.214	S	C	.	.	H	α-helix	trans	-65.2	-40.8	172.7	-73.5	173.6	0	0	0	112	C126 R133 N134 W154	C126-L130 WeakPolarHBondContact O-CB 3.35Å; C126-L130 WeakPolarHBondContact O-CG 3.34Å; C126-L130 PolarHBondContact O-N 2.86Å; L130-R133 PolarHBondContact O-N 3.16Å; L130-N134 VanDerWaalsContact O-CG 3.24Å; L130-N134 PolarHBondContact O-N 2.97Å; L130-N134 PolarHBondContact O-ND2 3.04Å; L130-N134 PolarHBondContact O-OD1 2.9Å; L130-W154 HydrophobicContact CD2-CE3 3.97Å; L130-W154 HydrophobicContact CD2-CH2 4.23Å; L130-W154 HydrophobicContact CD2-CZ3 3.66Å; L130-W154 HydrophobicContact CG-CE3 4.41Å; L130-W154 HydrophobicContact CG-CH2 4.19Å; L130-W154 HydrophobicContact CG-CZ3 3.67Å
131	L	92.4	Very high	92.7	Very high	63 Å²	63	43.7 Å²	43.7	33%	0.33	21%	0.212	S	C	.	.	H	α-helix	trans	-64.3	-44	176.7	-179.2	57.6	0	0	0	111.4	V60 L70 K127 K128 N134 I135	V60-L131 HydrophobicContact CB-CD2 4.49Å; V60-L131 HydrophobicContact CG1-CB 4.35Å; V60-L131 HydrophobicContact CG1-CD2 3.91Å; V60-L131 HydrophobicContact CG1-CG 4.33Å; V60-L131 HydrophobicContact CG2-CD2 3.75Å; V60-L131 HydrophobicContact CG2-CG 4.21Å; L70-L131 HydrophobicContact CD1-CD1 4.3Å; L70-L131 HydrophobicContact CD2-CD1 4.07Å; K127-L131 PolarHBondContact O-N 2.89Å; K127-L131 VanDerWaalsContact O-N 3.13Å; K128-L131 PolarHBondContact O-N 3.29Å; L131-N134 WeakPolarHBondContact O-CB 3.37Å; L131-N134 PolarHBondContact O-N 3.22Å; L131-I135 PolarHBondContact O-N 3.46Å; L131-I135 VanDerWaalsContact O-N 3.14Å
132	I	93.4	Very high	92.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-45.3	175.2	-66.2	164.2	0	0	0	110.1	T57 V60 F61 L93 F97 K128 M129 N134 I135 F136	T57-I132 HydrophobicContact CG2-CD1 3.86Å; T57-I132 HydrophobicContact CG2-CG1 4.25Å; T57-I132 HydrophobicContact CG2-CG2 4.39Å; V60-I132 HydrophobicContact CB-CG1 4.24Å; V60-I132 HydrophobicContact CG1-CD1 4.08Å; V60-I132 HydrophobicContact CG1-CG1 3.85Å; F61-I132 HydrophobicContact CD1-CD1 3.86Å; F61-I132 HydrophobicContact CD2-CD1 4.43Å; F61-I132 HydrophobicContact CE1-CD1 3.21Å; F61-I132 HydrophobicContact CE2-CD1 3.88Å; F61-I132 HydrophobicContact CG-CD1 4.42Å; F61-I132 HydrophobicContact CZ-CD1 3.22Å; L93-I132 HydrophobicContact CD1-CG2 4.25Å; F97-I132 HydrophobicContact CE1-CD1 4.13Å; F97-I132 HydrophobicContact CE1-CG2 3.84Å; F97-I132 HydrophobicContact CZ-CB 4.45Å; F97-I132 HydrophobicContact CZ-CD1 4.4Å; F97-I132 HydrophobicContact CZ-CG2 3.69Å; K128-I132 WeakPolarHBondContact O-CG1 3.27Å; K128-I132 PolarHBondContact O-N 3.15Å; M129-I132 PolarHBondContact O-N 3.22Å; M129-I132 HydrophobicContact SD-CD1 4.33Å; I132-N134 PolarHBondContact O-N 3.05Å; I132-I135 WeakPolarHBondContact O-CB 3.4Å; I132-I135 PolarHBondContact O-N 2.88Å; I132-F136 HydrophobicContact CG2-CD2 3.61Å; I132-F136 HydrophobicContact CG2-CE2 3.85Å; I132-F136 VanDerWaalsContact O-CD2 3.3Å; I132-F136 WeakPolarHBondContact O-CD2 3.27Å; I132-F136 PolarHBondContact O-N 2.92Å
133	R	92.7	Very high	92.1	Very high	73 Å²	73	45 Å²	45	28%	0.275	22%	0.217	S	C	.	.	H	α-helix	trans	-55.7	-39	175.5	-173.6	-177.2	-176.8	-166.4	0.4	112.2	M129 L130 F136 L137 D140 I153	M129-R133 VanDerWaalsContact O-CB 3.31Å; M129-R133 WeakPolarHBondContact O-CB 3.27Å; M129-R133 PolarHBondContact O-N 2.97Å; L130-R133 PolarHBondContact O-N 3.16Å; R133-F136 CarbonylContact O-C 3.54Å; R133-F136 PolarHBondContact O-N 3.5Å; R133-L137 VanDerWaalsContact O-CA 3.29Å; R133-L137 WeakPolarHBondContact O-CA 3.46Å; R133-L137 WeakPolarHBondContact O-CB 3.44Å; R133-L137 PolarHBondContact O-N 3.09Å; R133-D140 IonicContact CZ-OD2 3.91Å; R133-D140 IonicContact NE-OD2 2.71Å; R133-D140 PolarHBondContact NE-OD2 3.34Å; R133-D140 IonicContact NH2-OD2 3.14Å; R133-D140 PolarHBondContact NH2-OD2 2.99Å; R133-I153 HydrophobicContact CB-CG2 4.38Å
134	N	91.5	Very high	91.5	Very high	99 Å²	99	47.3 Å²	47.3	53%	0.529	22%	0.222	S	C	.	.	H	α-helix	trans	-64.8	-40.4	176.6	-69.5	-18	0	0	0	112.3	L130 L131 I132 F136	L130-N134 VanDerWaalsContact O-CG 3.24Å; L130-N134 PolarHBondContact O-N 2.97Å; L130-N134 PolarHBondContact O-ND2 3.04Å; L130-N134 PolarHBondContact O-OD1 2.9Å; L131-N134 WeakPolarHBondContact O-CB 3.37Å; L131-N134 PolarHBondContact O-N 3.22Å; I132-N134 PolarHBondContact O-N 3.05Å; N134-F136 VanDerWaalsContact C-N 3.32Å
135	I	91.6	Very high	91	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-43.2	175.1	-66.9	164.8	0	0	0	110.6	L53 V60 L70 L73 L131 I132	L53-I135 HydrophobicContact CD2-CG2 3.89Å; V60-I135 HydrophobicContact CG2-CD1 4.43Å; L70-I135 HydrophobicContact CD2-CD1 3.97Å; L70-I135 HydrophobicContact CD2-CG1 3.67Å; L73-I135 HydrophobicContact CB-CG2 3.7Å; L73-I135 HydrophobicContact CD1-CD1 4.13Å; L73-I135 HydrophobicContact CD1-CG1 4.39Å; L73-I135 HydrophobicContact CD1-CG2 4.43Å; L131-I135 PolarHBondContact O-N 3.46Å; L131-I135 VanDerWaalsContact O-N 3.14Å; I132-I135 WeakPolarHBondContact O-CB 3.4Å; I132-I135 PolarHBondContact O-N 2.88Å
136	F	94.1	Very high	90.4	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.009	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	19.1	-174	-69.2	-90.4	0	0	0	114	L53 T57 V77 L89 L93 I132 R133 N134 F138 M139 D140 I153	L53-F136 HydrophobicContact CB-CE1 4.29Å; L53-F136 HydrophobicContact CB-CZ 3.97Å; L53-F136 HydrophobicContact CD1-CE1 4.21Å; L53-F136 HydrophobicContact CD2-CE1 4.2Å; L53-F136 HydrophobicContact CD2-CZ 4.05Å; L53-F136 HydrophobicContact CG-CE1 4.48Å; L53-F136 HydrophobicContact CG-CZ 4.46Å; T57-F136 WeakPolarHBondContact OG1-CE2 3.45Å; V77-F136 HydrophobicContact CG1-CD1 4.36Å; V77-F136 HydrophobicContact CG2-CD1 3.61Å; V77-F136 HydrophobicContact CG2-CE1 3.97Å; V77-F136 HydrophobicContact CG2-CG 4.19Å; L89-F136 HydrophobicContact CD1-CE1 4.11Å; L89-F136 HydrophobicContact CD2-CD1 4.29Å; L89-F136 HydrophobicContact CD2-CE1 4.18Å; L89-F136 HydrophobicContact CG-CE1 4.19Å; L93-F136 HydrophobicContact CD1-CD2 4.4Å; L93-F136 HydrophobicContact CD1-CE1 4.36Å; L93-F136 HydrophobicContact CD1-CE2 3.83Å; L93-F136 HydrophobicContact CD1-CZ 3.79Å; L93-F136 HydrophobicContact CD2-CD1 4.17Å; L93-F136 HydrophobicContact CD2-CD2 4.18Å; L93-F136 HydrophobicContact CD2-CE1 4.33Å; L93-F136 HydrophobicContact CD2-CE2 4.37Å; L93-F136 HydrophobicContact CD2-CG 4.08Å; L93-F136 HydrophobicContact CD2-CZ 4.43Å; I132-F136 HydrophobicContact CG2-CD2 3.61Å; I132-F136 HydrophobicContact CG2-CE2 3.85Å; I132-F136 VanDerWaalsContact O-CD2 3.3Å; I132-F136 WeakPolarHBondContact O-CD2 3.27Å; I132-F136 PolarHBondContact O-N 2.92Å; R133-F136 CarbonylContact O-C 3.54Å; R133-F136 PolarHBondContact O-N 3.5Å; N134-F136 VanDerWaalsContact C-N 3.32Å; F136-F138 PolarHBondContact O-N 3Å; F136-M139 HydrophobicContact CB-CE 4.07Å; F136-M139 HydrophobicContact CD1-CE 3.61Å; F136-M139 HydrophobicContact CD1-SD 4.46Å; F136-M139 HydrophobicContact CE1-CE 4.38Å; F136-M139 HydrophobicContact CG-CE 4.12Å; F136-M139 WeakPolarHBondContact O-CB 3.39Å; F136-M139 PolarHBondContact O-N 3.28Å; F136-M139 VanDerWaalsContact O-N 3.08Å; F136-D140 PolarHBondContact O-N 2.89Å; F136-I153 HydrophobicContact CB-CD1 3.28Å; F136-I153 HydrophobicContact CG-CD1 4.21Å
137	L	91.3	Very high	89.7	Confident	46 Å²	46	56.9 Å²	56.9	24%	0.241	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-32.9	-171.3	176.7	68	0	0	0	112.9	Y74 R133 D140 R141	Y74-L137 HydrophobicContact CD2-CB 4.49Å; Y74-L137 HydrophobicContact CE2-CB 3.96Å; R133-L137 VanDerWaalsContact O-CA 3.29Å; R133-L137 WeakPolarHBondContact O-CA 3.46Å; R133-L137 WeakPolarHBondContact O-CB 3.44Å; R133-L137 PolarHBondContact O-N 3.09Å; L137-D140 PolarHBondContact O-N 3.47Å; L137-R141 WeakPolarHBondContact O-CG 3.49Å; L137-R141 PolarHBondContact O-N 3.3Å
138	F	90.9	Very high	89.1	Confident	56 Å²	56	55 Å²	55	25%	0.246	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-50.4	175.2	-171.5	-90.7	0	0	0	111.1	Y74 V77 E78 C81 F136 D140 R141 Q142	Y74-F138 HydrophobicContact CE2-CB 3.92Å; V77-F138 HydrophobicContact CG1-CB 4.24Å; E78-F138 HydrophobicContact CG-CB 3.94Å; E78-F138 HydrophobicContact CG-CD1 4.18Å; E78-F138 HydrophobicContact CG-CD2 3.64Å; E78-F138 HydrophobicContact CG-CE2 4.14Å; E78-F138 HydrophobicContact CG-CG 3.66Å; E78-F138 WeakPolarHBondContact OE1-CD2 3.44Å; C81-F138 HydrophobicContact CB-CD1 3.68Å; C81-F138 HydrophobicContact CB-CE1 3.48Å; C81-F138 VanDerWaalsContact CB-CE1 3.48Å; F136-F138 PolarHBondContact O-N 3Å; F138-D140 PolarHBondContact O-N 3.15Å; F138-R141 PolarHBondContact O-N 2.89Å; F138-Q142 HydrophobicContact CD1-CG 4.19Å; F138-Q142 HydrophobicContact CE1-CG 3.94Å; F138-Q142 HydrophobicContact CZ-CG 4.43Å; F138-Q142 VanDerWaalsContact O-CG 3.32Å; F138-Q142 WeakPolarHBondContact O-CG 3.44Å; F138-Q142 PolarHBondContact O-N 2.9Å
139	M	90.6	Very high	88.6	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-47	175	176.7	174.8	77.7	0	0	111.2	V77 I86 L89 Y90 L93 F136 R141 Q142 L143 I153	V77-M139 HydrophobicContact CG1-CB 3.7Å; I86-M139 HydrophobicContact CD1-CB 4.43Å; I86-M139 HydrophobicContact CD1-CG 3.93Å; I86-M139 HydrophobicContact CG1-CG 3.85Å; I86-M139 HydrophobicContact CG1-SD 4.44Å; L89-M139 HydrophobicContact CB-SD 4.09Å; L89-M139 HydrophobicContact CD2-SD 3.81Å; L89-M139 HydrophobicContact CG-SD 3.81Å; Y90-M139 HydrophobicContact CD2-CE 4.23Å; L93-M139 HydrophobicContact CD2-CE 3.55Å; F136-M139 HydrophobicContact CB-CE 4.07Å; F136-M139 HydrophobicContact CD1-CE 3.61Å; F136-M139 HydrophobicContact CD1-SD 4.46Å; F136-M139 HydrophobicContact CE1-CE 4.38Å; F136-M139 HydrophobicContact CG-CE 4.12Å; F136-M139 WeakPolarHBondContact O-CB 3.39Å; F136-M139 PolarHBondContact O-N 3.28Å; F136-M139 VanDerWaalsContact O-N 3.08Å; M139-R141 PolarHBondContact O-N 3.24Å; M139-R141 VanDerWaalsContact O-N 3.16Å; M139-Q142 PolarHBondContact O-N 3.4Å; M139-L143 HydrophobicContact CG-CD1 4.09Å; M139-L143 HydrophobicContact CG-CD2 4.45Å; M139-L143 HydrophobicContact CG-CG 4.05Å; M139-L143 WeakPolarHBondContact O-CG 3.43Å; M139-L143 PolarHBondContact O-N 3.13Å; M139-I153 HydrophobicContact CE-CD1 3.9Å; M139-I153 HydrophobicContact CE-CG1 4.41Å
140	D	90.9	Very high	88.2	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-54.5	-36.2	-178.4	-162.9	43.7	0	0	0	113.1	R133 F136 L137 F138 Q152 I153	R133-D140 IonicContact CZ-OD2 3.91Å; R133-D140 IonicContact NE-OD2 2.71Å; R133-D140 PolarHBondContact NE-OD2 3.34Å; R133-D140 IonicContact NH2-OD2 3.14Å; R133-D140 PolarHBondContact NH2-OD2 2.99Å; F136-D140 PolarHBondContact O-N 2.89Å; L137-D140 PolarHBondContact O-N 3.47Å; F138-D140 PolarHBondContact O-N 3.15Å; D140-Q152 PolarHBondContact O-NE2 3.36Å; D140-Q152 WeakPolarHBondContact OD1-CA 3.38Å; D140-Q152 VanDerWaalsContact OD1-CB 3.26Å; D140-Q152 WeakPolarHBondContact OD1-CB 3.45Å; D140-I153 HydrophobicContact CB-CD1 3.99Å; D140-I153 HydrophobicContact CB-CG1 4.28Å; D140-I153 WeakPolarHBondContact OD1-CG1 3.3Å; D140-I153 PolarHBondContact OD1-N 2.89Å
141	R	88.7	Confident	87.9	Confident	155 Å²	155	62 Å²	62	59%	0.585	30%	0.304	S	S	*	.	H	α-helix	trans	-76.5	-34.9	176.9	-71.3	177.4	176.9	-176.9	0.4	113.3	L137 F138 M139	L137-R141 WeakPolarHBondContact O-CG 3.49Å; L137-R141 PolarHBondContact O-N 3.3Å; F138-R141 PolarHBondContact O-N 2.89Å; M139-R141 PolarHBondContact O-N 3.24Å; M139-R141 VanDerWaalsContact O-N 3.16Å
142	Q	89.2	Confident	87.9	Confident	61 Å²	61	61 Å²	61	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-79.8	-28.3	-177.3	-66.7	-65.9	-31.8	0	0	112.3	I86 F138 M139 L144 Q145 L146	I86-Q142 HydrophobicContact CD1-CB 3.46Å; I86-Q142 VanDerWaalsContact CD1-CB 3.46Å; I86-Q142 HydrophobicContact CD1-CG 4.49Å; F138-Q142 HydrophobicContact CD1-CG 4.19Å; F138-Q142 HydrophobicContact CE1-CG 3.94Å; F138-Q142 HydrophobicContact CZ-CG 4.43Å; F138-Q142 VanDerWaalsContact O-CG 3.32Å; F138-Q142 WeakPolarHBondContact O-CG 3.44Å; F138-Q142 PolarHBondContact O-N 2.9Å; M139-Q142 PolarHBondContact O-N 3.4Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 3.47Å; Q142-Q145 WeakPolarHBondContact O-CB 3.07Å; Q142-Q145 PolarHBondContact O-N 2.88Å; Q142-L146 WeakPolarHBondContact O-CD1 3.26Å; Q142-L146 PolarHBondContact O-N 3.35Å; Q142-L146 VanDerWaalsContact O-N 3.14Å
143	L	85.8	Confident	87.9	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-54.5	-44.3	-178	-78.5	169.2	0	0	0	113.7	I86 M87 Y90 M139 Q145 L146 N147 N150	I86-L143 HydrophobicContact CG1-CD2 4.36Å; M87-L143 HydrophobicContact SD-CD2 4.48Å; Y90-L143 HydrophobicContact CD1-CD2 4.32Å; Y90-L143 HydrophobicContact CD2-CD1 3.39Å; Y90-L143 HydrophobicContact CD2-CD2 3.81Å; Y90-L143 HydrophobicContact CD2-CG 4.25Å; Y90-L143 HydrophobicContact CE2-CD1 3.5Å; Y90-L143 HydrophobicContact CE2-CD2 4.33Å; Y90-L143 HydrophobicContact CG-CD1 4.23Å; Y90-L143 HydrophobicContact CG-CD2 3.77Å; M139-L143 HydrophobicContact CG-CD1 4.09Å; M139-L143 HydrophobicContact CG-CD2 4.45Å; M139-L143 HydrophobicContact CG-CG 4.05Å; M139-L143 WeakPolarHBondContact O-CG 3.43Å; M139-L143 PolarHBondContact O-N 3.13Å; L143-Q145 VanDerWaalsContact C-N 3.3Å; L143-Q145 PolarHBondContact O-N 3.2Å; L143-L146 PolarHBondContact O-N 2.99Å; L143-N147 PolarHBondContact O-N 3.28Å; L143-N147 VanDerWaalsContact O-N 3.16Å; L143-N150 HydrophobicContact CB-CB 4.29Å; L143-N150 HydrophobicContact CD2-CB 4.47Å; L143-N150 PolarHBondContact O-ND2 3.13Å
144	L	80.2	Confident	87.9	Confident	77 Å²	77	60.2 Å²	60.2	40%	0.403	30%	0.295	S	S	.	.	H	α-helix	trans	-69.1	-27.8	178.7	-71.1	174.8	0	0	0	112.9	Q142 Q152	Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 3.47Å; L144-Q152 HydrophobicContact CD1-CG 3.84Å; L144-Q152 HydrophobicContact CD2-CG 4.32Å; L144-Q152 HydrophobicContact CG-CG 3.95Å
145	Q	82.7	Confident	88	Confident	142 Å²	142	58.8 Å²	58.8	66%	0.664	29%	0.287	S	S	*	.	H	α-helix	trans	-75.2	-31.2	178	-59.9	-176.7	5.1	0	0	111.6	Q142 L143	Q142-Q145 WeakPolarHBondContact O-CB 3.07Å; Q142-Q145 PolarHBondContact O-N 2.88Å; L143-Q145 VanDerWaalsContact C-N 3.3Å; L143-Q145 PolarHBondContact O-N 3.2Å
146	L	83	Confident	88.1	Confident	96 Å²	96	58.9 Å²	58.9	50%	0.503	29%	0.287	S	S	.	.	H	α-helix	trans	-76.7	-48.2	179	-72.9	153.3	0	0	0	112.2	I86 Q142 L143	I86-L146 HydrophobicContact CB-CD1 4.24Å; I86-L146 HydrophobicContact CD1-CD1 3.58Å; I86-L146 HydrophobicContact CG1-CD1 3.99Å; I86-L146 HydrophobicContact CG2-CD1 3.35Å; I86-L146 HydrophobicContact CG2-CD2 4.42Å; Q142-L146 WeakPolarHBondContact O-CD1 3.26Å; Q142-L146 PolarHBondContact O-N 3.35Å; Q142-L146 VanDerWaalsContact O-N 3.14Å; L143-L146 PolarHBondContact O-N 2.99Å
147	N	80.5	Confident	88.1	Confident	64 Å²	64	58.8 Å²	58.8	34%	0.342	29%	0.287	S	S	.	.			trans	-150.9	119.3	176.3	-172.8	-13.5	0	0	0	109.4	L143 Q149 N150	L143-N147 PolarHBondContact O-N 3.28Å; L143-N147 VanDerWaalsContact O-N 3.16Å; N147-Q149 PolarHBondContact O-N 3.42Å; N147-Q149 WeakPolarHBondContact OD1-CB 3.4Å; N147-Q149 PolarHBondContact OD1-N 3.23Å; N147-N150 WeakPolarHBondContact O-CB 3.41Å; N147-N150 PolarHBondContact O-N 2.95Å
148	P	81.4	Confident	88.3	Confident	111 Å²	111	57.7 Å²	57.7	72%	0.721	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.7	175.2	-25.2	34.2	0	0	0	114.4	N150	P148-N150 VanDerWaalsContact C-N 3.34Å
149	Q	83	Confident	88.5	Confident	169 Å²	169	59.1 Å²	59.1	79%	0.79	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.5	175.9	-60.8	-172.6	-3.4	0	0	113.8	N147	N147-Q149 PolarHBondContact O-N 3.42Å; N147-Q149 WeakPolarHBondContact OD1-CB 3.4Å; N147-Q149 PolarHBondContact OD1-N 3.23Å
150	N	84.9	Confident	88.7	Confident	23 Å²	23	59.8 Å²	59.8	12%	0.123	29%	0.291	C	S	.	.	S	Bend	trans	-71.7	133.2	177.1	-72.1	-22.1	0	0	0	110.1	L143 N147 P148	L143-N150 HydrophobicContact CB-CB 4.29Å; L143-N150 HydrophobicContact CD2-CB 4.47Å; L143-N150 PolarHBondContact O-ND2 3.13Å; N147-N150 WeakPolarHBondContact O-CB 3.41Å; N147-N150 PolarHBondContact O-N 2.95Å; P148-N150 VanDerWaalsContact C-N 3.34Å
151	L	87.4	Confident	88.9	Confident	61 Å²	61	59.7 Å²	59.7	32%	0.319	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-79.8	134.9	174.3	-64.2	174	0	0	0	109.7	Y90 D155 L156 K159	Y90-L151 WeakPolarHBondContact CE2-O 3.39Å; Y90-L151 PolarHBondContact OH-O 2.85Å; L151-D155 HydrophobicContact CB-CB 4.25Å; L151-D155 HydrophobicContact CD2-CB 4.15Å; L151-L156 HydrophobicContact CB-CB 4.21Å; L151-K159 HydrophobicContact CD1-CB 4.41Å; L151-K159 HydrophobicContact CD1-CD 3.6Å
152	Q	92.3	Very high	89.2	Confident	43 Å²	43	56.4 Å²	56.4	20%	0.201	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-59.3	158.9	164.6	-64.9	-162.1	-57.7	0	0	110	D140 L144 W154 D155 L156	D140-Q152 PolarHBondContact O-NE2 3.36Å; D140-Q152 WeakPolarHBondContact OD1-CA 3.38Å; D140-Q152 VanDerWaalsContact OD1-CB 3.26Å; D140-Q152 WeakPolarHBondContact OD1-CB 3.45Å; L144-Q152 HydrophobicContact CD1-CG 3.84Å; L144-Q152 HydrophobicContact CD2-CG 4.32Å; L144-Q152 HydrophobicContact CG-CG 3.95Å; Q152-W154 PolarHBondContact O-N 3Å; Q152-D155 PolarHBondContact O-N 3.42Å; Q152-D155 VanDerWaalsContact O-N 3.09Å; Q152-L156 WeakPolarHBondContact O-CB 3.34Å; Q152-L156 PolarHBondContact O-N 3.06Å
153	I	92.8	Very high	89.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.9	-39.8	-175.5	-64.1	176.7	0	0	0	110.8	L93 F97 R133 F136 M139 D140 A157	L93-I153 HydrophobicContact CD2-CD1 3.98Å; L93-I153 HydrophobicContact CD2-CG1 4.23Å; F97-I153 HydrophobicContact CE2-CG2 3.8Å; F97-I153 HydrophobicContact CZ-CG2 3.74Å; R133-I153 HydrophobicContact CB-CG2 4.38Å; F136-I153 HydrophobicContact CB-CD1 3.28Å; F136-I153 HydrophobicContact CG-CD1 4.21Å; M139-I153 HydrophobicContact CE-CD1 3.9Å; M139-I153 HydrophobicContact CE-CG1 4.41Å; D140-I153 HydrophobicContact CB-CD1 3.99Å; D140-I153 HydrophobicContact CB-CG1 4.28Å; D140-I153 WeakPolarHBondContact OD1-CG1 3.3Å; D140-I153 PolarHBondContact OD1-N 2.89Å; I153-A157 WeakPolarHBondContact O-CB 3.45Å; I153-A157 PolarHBondContact O-N 3.08Å
154	W	93.4	Very high	89.7	Confident	57 Å²	57	60 Å²	60	22%	0.216	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-48.5	176.7	-171.8	-104.2	0	0	0	111.8	C126 M129 L130 Q152 L156 A157 L158	C126-W154 HydrophobicContact CB-CH2 4.09Å; M129-W154 HydrophobicContact CB-CE3 4.31Å; M129-W154 HydrophobicContact CB-CZ3 3.99Å; L130-W154 HydrophobicContact CD2-CE3 3.97Å; L130-W154 HydrophobicContact CD2-CH2 4.23Å; L130-W154 HydrophobicContact CD2-CZ3 3.66Å; L130-W154 HydrophobicContact CG-CE3 4.41Å; L130-W154 HydrophobicContact CG-CH2 4.19Å; L130-W154 HydrophobicContact CG-CZ3 3.67Å; Q152-W154 PolarHBondContact O-N 3Å; W154-L156 VanDerWaalsContact C-N 3.34Å; W154-L156 PolarHBondContact O-N 3.47Å; W154-A157 WeakPolarHBondContact O-CB 3.46Å; W154-A157 PolarHBondContact O-N 3.42Å; W154-A157 VanDerWaalsContact O-N 3.16Å; W154-L158 HydrophobicContact CZ2-CD2 4.34Å; W154-L158 WeakPolarHBondContact O-CG 3.34Å; W154-L158 PolarHBondContact O-N 2.88Å
155	D	93.2	Very high	90.2	Very high	69 Å²	69	56.3 Å²	56.3	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-66.5	-36.5	-179.7	-59.3	-43.6	0	0	0	112.1	L151 Q152 L158 K159	L151-D155 HydrophobicContact CB-CB 4.25Å; L151-D155 HydrophobicContact CD2-CB 4.15Å; Q152-D155 PolarHBondContact O-N 3.42Å; Q152-D155 VanDerWaalsContact O-N 3.09Å; D155-L158 PolarHBondContact O-N 3.39Å; D155-K159 VanDerWaalsContact O-CB 3.27Å; D155-K159 WeakPolarHBondContact O-CB 3.48Å; D155-K159 PolarHBondContact O-N 3.41Å
156	L	93.5	Very high	90.8	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-45.3	171.9	177.5	63.3	0	0	0	110.9	Y90 K94 F97 L151 Q152 W154 K159 L160	Y90-L156 HydrophobicContact CE2-CD2 4.1Å; K94-L156 HydrophobicContact CB-CD2 4.02Å; K94-L156 HydrophobicContact CD-CD1 4.27Å; K94-L156 HydrophobicContact CG-CD1 4.18Å; K94-L156 HydrophobicContact CG-CD2 4.05Å; F97-L156 HydrophobicContact CD2-CD2 4.18Å; F97-L156 HydrophobicContact CD2-CG 4.35Å; L151-L156 HydrophobicContact CB-CB 4.21Å; Q152-L156 WeakPolarHBondContact O-CB 3.34Å; Q152-L156 PolarHBondContact O-N 3.06Å; W154-L156 VanDerWaalsContact C-N 3.34Å; W154-L156 PolarHBondContact O-N 3.47Å; L156-K159 PolarHBondContact O-N 3.06Å; L156-L160 HydrophobicContact CD1-CD1 4.1Å; L156-L160 HydrophobicContact CD1-CG 4.19Å; L156-L160 HydrophobicContact CG-CD1 4.11Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 2.95Å
157	A	94.4	Very high	91.2	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-42.5	177.8	0	0	0	0	0	112.1	F97 Y125 M129 I153 W154 F161	F97-A157 HydrophobicContact CD2-CB 4.47Å; F97-A157 HydrophobicContact CE2-CB 4.22Å; Y125-A157 HydrophobicContact CE1-CB 4.24Å; Y125-A157 WeakPolarHBondContact OH-CA 3.29Å; Y125-A157 PolarHBondContact OH-O 3.25Å; M129-A157 HydrophobicContact CB-CB 4.19Å; M129-A157 HydrophobicContact CE-CB 4.09Å; M129-A157 HydrophobicContact CG-CB 3.7Å; M129-A157 HydrophobicContact SD-CB 3.67Å; I153-A157 WeakPolarHBondContact O-CB 3.45Å; I153-A157 PolarHBondContact O-N 3.08Å; W154-A157 WeakPolarHBondContact O-CB 3.46Å; W154-A157 PolarHBondContact O-N 3.42Å; W154-A157 VanDerWaalsContact O-N 3.16Å; A157-F161 WeakPolarHBondContact O-CB 3.24Å; A157-F161 PolarHBondContact O-N 3.41Å; A157-F161 VanDerWaalsContact O-N 3.09Å
158	L	95.7	Very high	91.8	Very high	23 Å²	23	48.1 Å²	48.1	12%	0.12	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-44.9	174.8	-66.2	-177.6	0	0	0	111.4	W122 W154 D155 F161 R162 L207	W122-L158 HydrophobicContact CH2-CD2 3.55Å; W122-L158 HydrophobicContact CZ2-CD2 4.43Å; W122-L158 HydrophobicContact CZ3-CD2 4.35Å; W154-L158 HydrophobicContact CZ2-CD2 4.34Å; W154-L158 WeakPolarHBondContact O-CG 3.34Å; W154-L158 PolarHBondContact O-N 2.88Å; D155-L158 PolarHBondContact O-N 3.39Å; L158-F161 PolarHBondContact O-N 3.16Å; L158-R162 VanDerWaalsContact O-CB 3.26Å; L158-R162 WeakPolarHBondContact O-CB 3.47Å; L158-R162 PolarHBondContact O-N 3.47Å; L158-L207 HydrophobicContact CB-CD2 4.28Å; L158-L207 HydrophobicContact CD2-CD2 4.07Å; L158-L207 WeakPolarHBondContact O-CD2 3.31Å
159	K	94.8	Very high	92.2	Very high	86 Å²	86	50.6 Å²	50.6	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-58.7	-51.5	178.8	179.5	178.5	176.7	175.4	0	111.6	L151 D155 L156 F161 R162 E163	L151-K159 HydrophobicContact CD1-CB 4.41Å; L151-K159 HydrophobicContact CD1-CD 3.6Å; D155-K159 VanDerWaalsContact O-CB 3.27Å; D155-K159 WeakPolarHBondContact O-CB 3.48Å; D155-K159 PolarHBondContact O-N 3.41Å; L156-K159 PolarHBondContact O-N 3.06Å; K159-F161 PolarHBondContact O-N 2.93Å; K159-R162 WeakPolarHBondContact O-CB 3.24Å; K159-R162 PolarHBondContact O-N 3.36Å; K159-E163 WeakPolarHBondContact CE-OE1 3.28Å; K159-E163 WeakPolarHBondContact CE-OE2 3.45Å; K159-E163 HydrophobicContact CG-CG 4.37Å; K159-E163 IonicContact NZ-OE2 2.72Å; K159-E163 WeakPolarHBondContact O-CB 3.46Å; K159-E163 WeakPolarHBondContact O-CG 3.32Å; K159-E163 PolarHBondContact O-N 2.8Å
160	L	94.5	Very high	92.5	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-44.2	-179.9	-68.8	171.4	0	0	0	111.1	F97 V101 L156 R162 E163 D164	F97-L160 HydrophobicContact CB-CD1 3.49Å; F97-L160 VanDerWaalsContact CB-CD1 3.49Å; F97-L160 HydrophobicContact CD2-CD1 4.32Å; F97-L160 HydrophobicContact CG-CD1 4.44Å; V101-L160 HydrophobicContact CG1-CB 4.41Å; V101-L160 HydrophobicContact CG2-CB 4.06Å; L156-L160 HydrophobicContact CD1-CD1 4.1Å; L156-L160 HydrophobicContact CD1-CG 4.19Å; L156-L160 HydrophobicContact CG-CD1 4.11Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 2.95Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.03Å; L160-E163 PolarHBondContact O-N 2.95Å; L160-D164 WeakPolarHBondContact CD2-OD2 3.35Å; L160-D164 WeakPolarHBondContact O-CB 3.48Å; L160-D164 PolarHBondContact O-N 3.16Å
161	F	95.3	Very high	92.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.232	C	C	.	.	I	π-helix	trans	-64.6	-37.8	178.2	-163	-92.4	0	0	0	112.5	L104 F108 W122 Y125 A157 L158 K159 V165 I166 M203 L207	L104-F161 HydrophobicContact CD1-CE2 4.24Å; F108-F161 HydrophobicContact CZ-CE2 4.45Å; F108-F161 HydrophobicContact CZ-CZ 4Å; W122-F161 AromaticContact CE3-CD1 3.82Å; W122-F161 HydrophobicContact CE3-CD1 3.82Å; W122-F161 AromaticContact CE3-CE1 3.58Å; W122-F161 HydrophobicContact CE3-CE1 3.58Å; W122-F161 HydrophobicContact CE3-CE2 4.5Å; W122-F161 HydrophobicContact CE3-CG 4.37Å; W122-F161 AromaticContact CE3-CZ 3.96Å; W122-F161 HydrophobicContact CE3-CZ 3.96Å; W122-F161 AromaticContact CZ3-CD1 3.68Å; W122-F161 HydrophobicContact CZ3-CD1 3.68Å; W122-F161 AromaticContact CZ3-CE1 3.95Å; W122-F161 HydrophobicContact CZ3-CE1 3.95Å; W122-F161 HydrophobicContact CZ3-CG 4.1Å; Y125-F161 HydrophobicContact CD1-CB 4.41Å; Y125-F161 AromaticContact CD1-CD2 3.76Å; Y125-F161 HydrophobicContact CD1-CD2 3.76Å; Y125-F161 HydrophobicContact CD1-CE2 4.27Å; Y125-F161 HydrophobicContact CD1-CG 4.16Å; Y125-F161 AromaticContact CD2-CD2 3.95Å; Y125-F161 HydrophobicContact CD2-CD2 3.95Å; Y125-F161 HydrophobicContact CD2-CE2 4.3Å; Y125-F161 HydrophobicContact CE1-CB 3.68Å; Y125-F161 AromaticContact CE1-CD2 3.74Å; Y125-F161 HydrophobicContact CE1-CD2 3.74Å; Y125-F161 AromaticContact CE1-CG 3.9Å; Y125-F161 HydrophobicContact CE1-CG 3.9Å; Y125-F161 AromaticContact CE2-CD2 3.96Å; Y125-F161 HydrophobicContact CE2-CD2 3.96Å; Y125-F161 AromaticContact CG-CD2 3.86Å; Y125-F161 HydrophobicContact CG-CD2 3.86Å; Y125-F161 HydrophobicContact CG-CE2 4.07Å; Y125-F161 AromaticContact CZ-CD2 3.83Å; A157-F161 WeakPolarHBondContact O-CB 3.24Å; A157-F161 PolarHBondContact O-N 3.41Å; A157-F161 VanDerWaalsContact O-N 3.09Å; L158-F161 PolarHBondContact O-N 3.16Å; K159-F161 PolarHBondContact O-N 2.93Å; F161-V165 HydrophobicContact CD2-CG2 4.24Å; F161-V165 HydrophobicContact CE2-CG2 4.46Å; F161-V165 HydrophobicContact CZ-CG1 4.46Å; F161-V165 VanDerWaalsContact O-CB 3.31Å; F161-V165 WeakPolarHBondContact O-CB 3.33Å; F161-V165 PolarHBondContact O-N 2.79Å; F161-I166 HydrophobicContact CD1-CD1 4.4Å; F161-I166 HydrophobicContact CD1-CG1 3.75Å; F161-I166 HydrophobicContact CE1-CD1 3.69Å; F161-I166 HydrophobicContact CE1-CG1 3.54Å; F161-I166 HydrophobicContact CZ-CD1 4.33Å; F161-I166 PolarHBondContact O-N 2.85Å; F161-I166 VanDerWaalsContact O-N 3.09Å; F161-M203 HydrophobicContact CE1-SD 3.89Å; F161-L207 HydrophobicContact CB-CD2 4.39Å; F161-L207 HydrophobicContact CD1-CD1 3.83Å; F161-L207 HydrophobicContact CD1-CD2 4.15Å; F161-L207 HydrophobicContact CE1-CD1 4.26Å
162	R	95.1	Very high	93	Very high	86 Å²	86	48.9 Å²	48.9	33%	0.325	23%	0.227	S	C	.	.	I	π-helix	trans	-62.5	-58.4	174.7	-177.1	-168.2	-179.4	169.2	1.9	111.3	L158 K159 L160 I166 T167 L207 K208 L209	L158-R162 VanDerWaalsContact O-CB 3.26Å; L158-R162 WeakPolarHBondContact O-CB 3.47Å; L158-R162 PolarHBondContact O-N 3.47Å; K159-R162 WeakPolarHBondContact O-CB 3.24Å; K159-R162 PolarHBondContact O-N 3.36Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.03Å; R162-I166 PolarHBondContact O-N 3.31Å; R162-T167 HydrophobicContact CG-CG2 4.13Å; R162-T167 WeakPolarHBondContact O-CB 3.4Å; R162-T167 VanDerWaalsContact O-CG2 3.3Å; R162-T167 WeakPolarHBondContact O-CG2 3.45Å; R162-T167 PolarHBondContact O-N 3.42Å; R162-T167 PolarHBondContact O-OG1 3.09Å; R162-L207 HydrophobicContact CB-CB 4.41Å; R162-L207 HydrophobicContact CB-CD2 4.17Å; R162-L207 VanDerWaalsContact CD-O 3.27Å; R162-L207 WeakPolarHBondContact CD-O 3.39Å; R162-L207 HydrophobicContact CG-CB 4.46Å; R162-L207 PolarHBondContact NE-O 3.37Å; R162-K208 PolarHBondContact NH2-O 2.94Å; R162-L209 HydrophobicContact CG-CD1 3.85Å; R162-L209 HydrophobicContact CG-CD2 4.05Å; R162-L209 HydrophobicContact CG-CG 3.94Å
163	E	93.6	Very high	93	Very high	90 Å²	90	50.2 Å²	50.2	42%	0.421	24%	0.241	S	C	.	.	I	π-helix	trans	-73.4	-43.1	-170.6	-68.7	176.6	178.1	0	0	111.7	K159 L160 T167	K159-E163 WeakPolarHBondContact CE-OE1 3.28Å; K159-E163 WeakPolarHBondContact CE-OE2 3.45Å; K159-E163 HydrophobicContact CG-CG 4.37Å; K159-E163 IonicContact NZ-OE2 2.72Å; K159-E163 WeakPolarHBondContact O-CB 3.46Å; K159-E163 WeakPolarHBondContact O-CG 3.32Å; K159-E163 PolarHBondContact O-N 2.8Å; L160-E163 PolarHBondContact O-N 2.95Å; E163-T167 VanDerWaalsContact CA-OG1 3.3Å; E163-T167 WeakPolarHBondContact CA-OG1 3.25Å; E163-T167 PolarHBondContact O-OG1 3Å
164	D	91.4	Very high	92.9	Very high	45 Å²	45	52.9 Å²	52.9	24%	0.241	25%	0.251	C	S	.	.	I	π-helix	trans	-91.6	-20.8	-171	-59	-25.4	0	0	0	113	V101 Q105 L160 Q168	V101-D164 HydrophobicContact CG1-CB 3.69Å; Q105-D164 WeakPolarHBondContact CG-O 3.37Å; Q105-D164 PolarHBondContact NE2-O 3.09Å; L160-D164 WeakPolarHBondContact CD2-OD2 3.35Å; L160-D164 WeakPolarHBondContact O-CB 3.48Å; L160-D164 PolarHBondContact O-N 3.16Å; D164-Q168 VanDerWaalsContact O-CG 3.25Å; D164-Q168 WeakPolarHBondContact O-CG 3.42Å; D164-Q168 PolarHBondContact O-NE2 3.08Å
165	V	92.3	Very high	92.9	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	24%	0.242	C	C	.	.	I	π-helix	trans	-115.8	-63.5	-176.8	-172.3	0	0	0	0	112	V101 F108 F161 Q168 V171	V101-V165 HydrophobicContact CG1-CG2 3.51Å; F108-V165 HydrophobicContact CB-CG1 4.4Å; F108-V165 HydrophobicContact CD1-CG1 3.95Å; F108-V165 HydrophobicContact CD2-CG1 3.44Å; F108-V165 VanDerWaalsContact CD2-CG1 3.44Å; F108-V165 HydrophobicContact CE1-CG1 4.03Å; F108-V165 HydrophobicContact CE2-CG1 3.54Å; F108-V165 HydrophobicContact CG-CG1 3.67Å; F108-V165 HydrophobicContact CZ-CG1 3.84Å; F161-V165 HydrophobicContact CD2-CG2 4.24Å; F161-V165 HydrophobicContact CE2-CG2 4.46Å; F161-V165 HydrophobicContact CZ-CG1 4.46Å; F161-V165 VanDerWaalsContact O-CB 3.31Å; F161-V165 WeakPolarHBondContact O-CB 3.33Å; F161-V165 PolarHBondContact O-N 2.79Å; V165-Q168 WeakPolarHBondContact O-CB 3.47Å; V165-V171 WeakPolarHBondContact O-CB 3.37Å; V165-V171 WeakPolarHBondContact O-CG1 3.48Å
166	I	93.4	Very high	93	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-75.6	-37.7	-166.6	-60.9	-58.5	0	0	0	112.6	F108 F161 R162 Q168 Q172 L175 M203 L204 L207 L209	F108-I166 HydrophobicContact CE1-CD1 4.44Å; F161-I166 HydrophobicContact CD1-CD1 4.4Å; F161-I166 HydrophobicContact CD1-CG1 3.75Å; F161-I166 HydrophobicContact CE1-CD1 3.69Å; F161-I166 HydrophobicContact CE1-CG1 3.54Å; F161-I166 HydrophobicContact CZ-CD1 4.33Å; F161-I166 PolarHBondContact O-N 2.85Å; F161-I166 VanDerWaalsContact O-N 3.09Å; R162-I166 PolarHBondContact O-N 3.31Å; I166-Q168 VanDerWaalsContact C-N 3.25Å; I166-Q168 PolarHBondContact O-N 3.23Å; I166-Q172 WeakPolarHBondContact O-CA 3.35Å; I166-Q172 VanDerWaalsContact O-CB 3.29Å; I166-Q172 WeakPolarHBondContact O-CB 3.33Å; I166-Q172 PolarHBondContact O-N 3.35Å; I166-L175 HydrophobicContact CD1-CD2 4.31Å; I166-L175 HydrophobicContact CG2-CD2 4.02Å; I166-M203 HydrophobicContact CD1-CE 3.91Å; I166-M203 HydrophobicContact CD1-SD 4.2Å; I166-M203 HydrophobicContact CG1-CE 4.35Å; I166-L204 HydrophobicContact CG2-CD2 4.27Å; I166-L207 HydrophobicContact CB-CD1 4.3Å; I166-L207 HydrophobicContact CG1-CD1 3.72Å; I166-L209 HydrophobicContact CB-CD1 4.05Å; I166-L209 HydrophobicContact CG2-CD1 3.47Å; I166-L209 VanDerWaalsContact CG2-CD1 3.47Å
167	T	92.9	Very high	93	Very high	49 Å²	49	50 Å²	50	30%	0.301	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	0.5	-179.5	56.3	0	0	0	0	113.9	R162 E163 E169 L209	R162-T167 HydrophobicContact CG-CG2 4.13Å; R162-T167 WeakPolarHBondContact O-CB 3.4Å; R162-T167 VanDerWaalsContact O-CG2 3.3Å; R162-T167 WeakPolarHBondContact O-CG2 3.45Å; R162-T167 PolarHBondContact O-N 3.42Å; R162-T167 PolarHBondContact O-OG1 3.09Å; E163-T167 VanDerWaalsContact CA-OG1 3.3Å; E163-T167 WeakPolarHBondContact CA-OG1 3.25Å; E163-T167 PolarHBondContact O-OG1 3Å; T167-E169 PolarHBondContact O-N 3.18Å; T167-L209 HydrophobicContact CG2-CD1 4.02Å; T167-L209 HydrophobicContact CG2-CD2 3.81Å
168	Q	91.5	Very high	93	Very high	81 Å²	81	52 Å²	52	38%	0.379	25%	0.253	S	S	.	.	S	Bend	trans	-60.9	124.4	168.3	-68.6	-66.5	-24.2	0	0	109.3	D164 V165 I166 K170 V171 Q172	D164-Q168 VanDerWaalsContact O-CG 3.25Å; D164-Q168 WeakPolarHBondContact O-CG 3.42Å; D164-Q168 PolarHBondContact O-NE2 3.08Å; V165-Q168 WeakPolarHBondContact O-CB 3.47Å; I166-Q168 VanDerWaalsContact C-N 3.25Å; I166-Q168 PolarHBondContact O-N 3.23Å; Q168-K170 VanDerWaalsContact C-N 3.32Å; Q168-K170 PolarHBondContact O-N 2.76Å; Q168-K170 VanDerWaalsContact O-N 3.1Å; Q168-V171 HydrophobicContact CB-CB 4.17Å; Q168-V171 HydrophobicContact CB-CG2 3.98Å; Q168-V171 CarbonylContact O-C 3.6Å; Q168-V171 WeakPolarHBondContact O-CA 3.31Å; Q168-V171 WeakPolarHBondContact O-CB 3.44Å; Q168-V171 PolarHBondContact O-N 2.9Å; Q168-Q172 PolarHBondContact O-N 3.46Å
169	E	89.7	Confident	93	Very high	163 Å²	163	50.9 Å²	50.9	76%	0.762	25%	0.247	S	C	*	.	H	α-helix	trans	-46.2	-50.6	-168.6	-174.1	-175.8	177.2	0	0	113.7	T167 V171 S173	T167-E169 PolarHBondContact O-N 3.18Å; E169-V171 PolarHBondContact O-N 3.01Å; E169-S173 VanDerWaalsContact O-CB 3.27Å; E169-S173 WeakPolarHBondContact O-CB 3.49Å; E169-S173 PolarHBondContact O-N 3Å
170	K	89.6	Confident	93.2	Very high	162 Å²	162	47.6 Å²	47.6	70%	0.704	23%	0.234	S	C	*	.	H	α-helix	trans	-66.4	-36.8	179.6	-67	-175.8	179.9	178.6	0	113.2	L109 Q168 R174	L109-K170 HydrophobicContact CD2-CB 4.1Å; L109-K170 HydrophobicContact CD2-CD 4.42Å; Q168-K170 VanDerWaalsContact C-N 3.32Å; Q168-K170 PolarHBondContact O-N 2.76Å; Q168-K170 VanDerWaalsContact O-N 3.1Å; K170-R174 WeakPolarHBondContact O-CB 3.36Å; K170-R174 PolarHBondContact O-N 3.24Å
171	V	90.9	Very high	93.2	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-72.4	-48.4	179.8	-179.2	0	0	0	0	109.2	F108 L109 V165 Q168 E169 R174 L175	F108-V171 HydrophobicContact CB-CG1 4.13Å; F108-V171 HydrophobicContact CB-CG2 3.81Å; F108-V171 HydrophobicContact CD1-CG1 3.94Å; F108-V171 HydrophobicContact CG-CG1 4.39Å; L109-V171 HydrophobicContact CD2-CG2 3.97Å; V165-V171 WeakPolarHBondContact O-CB 3.37Å; V165-V171 WeakPolarHBondContact O-CG1 3.48Å; Q168-V171 HydrophobicContact CB-CB 4.17Å; Q168-V171 HydrophobicContact CB-CG2 3.98Å; Q168-V171 CarbonylContact O-C 3.6Å; Q168-V171 WeakPolarHBondContact O-CA 3.31Å; Q168-V171 WeakPolarHBondContact O-CB 3.44Å; Q168-V171 PolarHBondContact O-N 2.9Å; E169-V171 PolarHBondContact O-N 3.01Å; V171-R174 PolarHBondContact O-N 3.2Å; V171-L175 WeakPolarHBondContact O-CB 3.37Å; V171-L175 PolarHBondContact O-N 3.11Å
172	Q	92.6	Very high	93.3	Very high	48 Å²	48	53.4 Å²	53.4	22%	0.224	26%	0.264	C	S	.	.	H	α-helix	trans	-57.5	-55.2	178.4	-169.1	-178.5	-70.6	0	0	111.1	I166 Q168 R174 L175 M176 I213	I166-Q172 WeakPolarHBondContact O-CA 3.35Å; I166-Q172 VanDerWaalsContact O-CB 3.29Å; I166-Q172 WeakPolarHBondContact O-CB 3.33Å; I166-Q172 PolarHBondContact O-N 3.35Å; Q168-Q172 PolarHBondContact O-N 3.46Å; Q172-R174 PolarHBondContact O-N 3.39Å; Q172-L175 PolarHBondContact O-N 2.84Å; Q172-M176 HydrophobicContact CG-CG 4.47Å; Q172-M176 WeakPolarHBondContact O-CG 3.38Å; Q172-M176 PolarHBondContact O-N 3.3Å; Q172-I213 HydrophobicContact CG-CD1 3.78Å
173	S	91.7	Very high	93.4	Very high	71 Å²	71	49.3 Å²	49.3	50%	0.497	25%	0.248	S	C	.	.	H	α-helix	trans	-57.2	-48.4	-177.7	172.9	0	0	0	0	111.3	E169 L175 M176 C177	E169-S173 VanDerWaalsContact O-CB 3.27Å; E169-S173 WeakPolarHBondContact O-CB 3.49Å; E169-S173 PolarHBondContact O-N 3Å; S173-L175 PolarHBondContact O-N 3.14Å; S173-M176 PolarHBondContact O-N 2.97Å; S173-C177 PolarHBondContact O-N 2.84Å; S173-C177 PolarHBondContact O-SG 2.87Å
174	R	91.4	Very high	93.5	Very high	57 Å²	57	49.6 Å²	49.6	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-38.2	179.8	-166.9	-174.8	65.9	-151.5	-13.6	112.5	F108 K110 F113 K170 V171 Q172 Q178	F108-R174 PolarHBondContact O-NH1 2.87Å; F108-R174 PolarHBondContact O-NH2 2.91Å; K110-R174 PolarHBondContact O-NH1 3.36Å; F113-R174 PolarHBondContact O-NE 3.45Å; K170-R174 WeakPolarHBondContact O-CB 3.36Å; K170-R174 PolarHBondContact O-N 3.24Å; V171-R174 PolarHBondContact O-N 3.2Å; Q172-R174 PolarHBondContact O-N 3.39Å; R174-Q178 WeakPolarHBondContact O-CG 3.46Å; R174-Q178 PolarHBondContact O-N 3.3Å
175	L	92.9	Very high	93.8	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-47.7	176.2	179.5	63.5	0	0	0	110.7	L115 V118 I166 V171 Q172 S173 Q178 I179 V200 M203 L204	L115-L175 HydrophobicContact CD2-CD1 3.57Å; V118-L175 HydrophobicContact CG1-CD1 4.14Å; V118-L175 HydrophobicContact CG2-CD1 4.06Å; I166-L175 HydrophobicContact CD1-CD2 4.31Å; I166-L175 HydrophobicContact CG2-CD2 4.02Å; V171-L175 WeakPolarHBondContact O-CB 3.37Å; V171-L175 PolarHBondContact O-N 3.11Å; Q172-L175 PolarHBondContact O-N 2.84Å; S173-L175 PolarHBondContact O-N 3.14Å; L175-Q178 PolarHBondContact O-N 3.02Å; L175-I179 HydrophobicContact CD1-CD1 4.05Å; L175-I179 HydrophobicContact CD1-CG1 4.36Å; L175-I179 HydrophobicContact CG-CD1 3.99Å; L175-I179 VanDerWaalsContact O-CG1 3.29Å; L175-I179 WeakPolarHBondContact O-CG1 3.26Å; L175-I179 PolarHBondContact O-N 3.33Å; L175-V200 HydrophobicContact CD1-CG1 3.83Å; L175-M203 HydrophobicContact CD2-CE 3.95Å; L175-L204 HydrophobicContact CD2-CD2 4.11Å
176	M	94.9	Very high	94	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-61.1	-48.5	177.7	-66.2	-53.7	91.8	0	0	111.1	Q172 S173 Q178 I179 L180 L204 I213 F214	Q172-M176 HydrophobicContact CG-CG 4.47Å; Q172-M176 WeakPolarHBondContact O-CG 3.38Å; Q172-M176 PolarHBondContact O-N 3.3Å; S173-M176 PolarHBondContact O-N 2.97Å; M176-Q178 PolarHBondContact O-N 2.92Å; M176-I179 HydrophobicContact CE-CD1 3.9Å; M176-I179 PolarHBondContact O-N 3.21Å; M176-L180 WeakPolarHBondContact O-CB 3.43Å; M176-L180 VanDerWaalsContact O-CG 3.25Å; M176-L180 WeakPolarHBondContact O-CG 3.43Å; M176-L180 PolarHBondContact O-N 3.35Å; M176-L204 HydrophobicContact CE-CD1 3.8Å; M176-L204 HydrophobicContact CE-CD2 4.23Å; M176-I213 HydrophobicContact CE-CD1 3.88Å; M176-I213 HydrophobicContact SD-CB 4.47Å; M176-I213 HydrophobicContact SD-CD1 3.99Å; M176-I213 HydrophobicContact SD-CG1 4.14Å; M176-F214 HydrophobicContact SD-CB 3.85Å; M176-F214 HydrophobicContact SD-CD2 4.24Å
177	C	93.9	Very high	94.1	Very high	62 Å²	62	52.1 Å²	52.1	42%	0.419	26%	0.258	S	S	.	.	H	α-helix	trans	-54.2	-50.1	176.3	-69.1	0	0	0	0	111.8	S173 I179 L180 D181	S173-C177 PolarHBondContact O-N 2.84Å; S173-C177 PolarHBondContact O-SG 2.87Å; C177-I179 PolarHBondContact O-N 3.14Å; C177-L180 PolarHBondContact O-N 3.05Å; C177-D181 WeakPolarHBondContact O-CB 3.43Å; C177-D181 PolarHBondContact O-N 3.16Å
178	Q	94.9	Very high	94.2	Very high	42 Å²	42	53.5 Å²	53.5	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-40.5	-178.3	-71.5	-179.5	18.7	0	0	113.1	F113 L115 R174 L175 M176 D181 E182	F113-Q178 PolarHBondContact O-NE2 3.49Å; L115-Q178 HydrophobicContact CD1-CB 4.03Å; L115-Q178 HydrophobicContact CD2-CB 3.78Å; L115-Q178 HydrophobicContact CG-CB 3.74Å; R174-Q178 WeakPolarHBondContact O-CG 3.46Å; R174-Q178 PolarHBondContact O-N 3.3Å; L175-Q178 PolarHBondContact O-N 3.02Å; M176-Q178 PolarHBondContact O-N 2.92Å; Q178-D181 PolarHBondContact O-N 3.29Å; Q178-E182 WeakPolarHBondContact O-CG 3.33Å; Q178-E182 PolarHBondContact O-N 2.87Å
179	I	96.8	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-46.5	177.1	-65.2	169	0	0	0	110	L115 L175 M176 C177 D181 E182 I183 L197 V200 I201 L204 F214	L115-I179 HydrophobicContact CD1-CG1 4.43Å; L115-I179 HydrophobicContact CD2-CG1 3.89Å; L175-I179 HydrophobicContact CD1-CD1 4.05Å; L175-I179 HydrophobicContact CD1-CG1 4.36Å; L175-I179 HydrophobicContact CG-CD1 3.99Å; L175-I179 VanDerWaalsContact O-CG1 3.29Å; L175-I179 WeakPolarHBondContact O-CG1 3.26Å; L175-I179 PolarHBondContact O-N 3.33Å; M176-I179 HydrophobicContact CE-CD1 3.9Å; M176-I179 PolarHBondContact O-N 3.21Å; C177-I179 PolarHBondContact O-N 3.14Å; I179-D181 VanDerWaalsContact C-N 3.34Å; I179-E182 PolarHBondContact O-N 3.1Å; I179-I183 HydrophobicContact CG2-CD1 3.99Å; I179-I183 WeakPolarHBondContact O-CG1 3.48Å; I179-I183 PolarHBondContact O-N 3.43Å; I179-I183 VanDerWaalsContact O-N 3.08Å; I179-L197 HydrophobicContact CG2-CD2 4.15Å; I179-V200 HydrophobicContact CD1-CG1 3.6Å; I179-V200 HydrophobicContact CG1-CG1 4.01Å; I179-I201 HydrophobicContact CG2-CD1 4.42Å; I179-I201 HydrophobicContact CG2-CG1 4.39Å; I179-L204 HydrophobicContact CD1-CD1 3.77Å; I179-F214 HydrophobicContact CB-CE2 4.45Å; I179-F214 HydrophobicContact CG2-CD2 4.12Å; I179-F214 HydrophobicContact CG2-CE2 3.49Å; I179-F214 VanDerWaalsContact CG2-CE2 3.49Å; I179-F214 HydrophobicContact CG2-CZ 4.24Å
180	L	96.9	Very high	94.5	Very high	17 Å²	17	50.5 Å²	50.5	9%	0.089	27%	0.274	C	S	.	.	H	α-helix	trans	-66.5	-37.1	-179	-65.6	171.7	0	0	0	112	M176 C177 I183 H184 F214 E217 F218 K221	M176-L180 WeakPolarHBondContact O-CB 3.43Å; M176-L180 VanDerWaalsContact O-CG 3.25Å; M176-L180 WeakPolarHBondContact O-CG 3.43Å; M176-L180 PolarHBondContact O-N 3.35Å; C177-L180 PolarHBondContact O-N 3.05Å; L180-I183 PolarHBondContact O-N 2.85Å; L180-H184 WeakPolarHBondContact O-CB 3.37Å; L180-H184 PolarHBondContact O-N 3.22Å; L180-F214 HydrophobicContact CD2-CE2 3.99Å; L180-E217 HydrophobicContact CD1-CB 4.07Å; L180-F218 HydrophobicContact CD2-CB 3.91Å; L180-F218 HydrophobicContact CD2-CD2 4.12Å; L180-K221 HydrophobicContact CD1-CG 4.17Å
181	D	95.6	Very high	94.7	Very high	90 Å²	90	48 Å²	48	48%	0.481	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-43.2	176	-70.3	-18.2	0	0	0	111.4	C177 Q178 I179 H184 K185	C177-D181 WeakPolarHBondContact O-CB 3.43Å; C177-D181 PolarHBondContact O-N 3.16Å; Q178-D181 PolarHBondContact O-N 3.29Å; I179-D181 VanDerWaalsContact C-N 3.34Å; D181-H184 PolarHBondContact O-N 3.16Å; D181-K185 VanDerWaalsContact O-CG 3.31Å; D181-K185 WeakPolarHBondContact O-CG 3.31Å; D181-K185 PolarHBondContact O-N 3.31Å
182	E	96.4	Very high	94.9	Very high	45 Å²	45	49.2 Å²	49.2	21%	0.21	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-41.7	175.8	-71.1	-58.1	124.9	0	0	112	L115 Q178 I179 H184 K185 E186 L197	L115-E182 HydrophobicContact CD1-CG 3.79Å; Q178-E182 WeakPolarHBondContact O-CG 3.33Å; Q178-E182 PolarHBondContact O-N 2.87Å; I179-E182 PolarHBondContact O-N 3.1Å; E182-H184 VanDerWaalsContact C-N 3.3Å; E182-H184 PolarHBondContact O-N 2.88Å; E182-K185 PolarHBondContact O-N 3.22Å; E182-K185 IonicContact OE1-NZ 2.78Å; E182-K185 PolarHBondContact OE1-NZ 2.98Å; E182-E186 PolarHBondContact O-N 3.12Å; E182-L197 HydrophobicContact CB-CD1 4.09Å; E182-L197 HydrophobicContact CB-CD2 3.97Å; E182-L197 HydrophobicContact CB-CG 4.27Å
183	I	97.5	Very high	95.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-39.3	174.7	-64.6	169.1	0	0	0	110.7	I179 L180 E186 R187 L197 F214 F218 Y260	I179-I183 HydrophobicContact CG2-CD1 3.99Å; I179-I183 WeakPolarHBondContact O-CG1 3.48Å; I179-I183 PolarHBondContact O-N 3.43Å; I179-I183 VanDerWaalsContact O-N 3.08Å; L180-I183 PolarHBondContact O-N 2.85Å; I183-E186 PolarHBondContact O-N 3Å; I183-R187 WeakPolarHBondContact O-CG 3.37Å; I183-R187 PolarHBondContact O-N 3.49Å; I183-L197 HydrophobicContact CG1-CD1 3.96Å; I183-F214 HydrophobicContact CD1-CE2 4.19Å; I183-F214 HydrophobicContact CD1-CZ 3.92Å; I183-F218 HydrophobicContact CD1-CD2 4.09Å; I183-F218 HydrophobicContact CD1-CE2 4.12Å; I183-F218 HydrophobicContact CG2-CE2 4.06Å; I183-Y260 HydrophobicContact CD1-CE2 4.18Å; I183-Y260 HydrophobicContact CG1-CE2 4.03Å
184	H	96.6	Very high	95.3	Very high	95 Å²	95	52 Å²	52	44%	0.44	29%	0.293	S	S	.	.	H	α-helix	trans	-64.1	-46.9	177.1	-178.2	58.1	0	0	0	112	L180 D181 E182 E186 R187 C188	L180-H184 WeakPolarHBondContact O-CB 3.37Å; L180-H184 PolarHBondContact O-N 3.22Å; D181-H184 PolarHBondContact O-N 3.16Å; E182-H184 VanDerWaalsContact C-N 3.3Å; E182-H184 PolarHBondContact O-N 2.88Å; H184-E186 VanDerWaalsContact C-N 3.28Å; H184-E186 PolarHBondContact O-N 3.11Å; H184-R187 CarbonylContact O-C 3.58Å; H184-R187 WeakPolarHBondContact O-CB 3.29Å; H184-R187 PolarHBondContact O-N 3.46Å; H184-C188 VanDerWaalsContact CE1-SG 3.57Å; H184-C188 PolarHBondContact O-N 3.39Å; H184-C188 PolarHBondContact O-SG 2.81Å
185	K	96.6	Very high	95.6	Very high	73 Å²	73	54.4 Å²	54.4	32%	0.317	31%	0.307	S	S	.	.	H	α-helix	trans	-52.8	-47.3	173.7	-74.9	176	-168.2	170.6	0	111.5	D181 E182 R187 C188 G189 E190 I192	D181-K185 VanDerWaalsContact O-CG 3.31Å; D181-K185 WeakPolarHBondContact O-CG 3.31Å; D181-K185 PolarHBondContact O-N 3.31Å; E182-K185 PolarHBondContact O-N 3.22Å; E182-K185 IonicContact OE1-NZ 2.78Å; E182-K185 PolarHBondContact OE1-NZ 2.98Å; K185-R187 VanDerWaalsContact C-N 3.35Å; K185-R187 PolarHBondContact O-N 3.44Å; K185-C188 CarbonylContact O-C 3.54Å; K185-C188 WeakPolarHBondContact O-CA 3.5Å; K185-C188 WeakPolarHBondContact O-CB 3.34Å; K185-C188 PolarHBondContact O-N 3.39Å; K185-C188 VanDerWaalsContact O-N 3.1Å; K185-G189 PolarHBondContact O-N 3.23Å; K185-E190 HydrophobicContact CB-CB 4.05Å; K185-E190 WeakPolarHBondContact O-CB 3.24Å; K185-E190 PolarHBondContact O-N 3.02Å; K185-I192 HydrophobicContact CB-CG2 4Å
186	E	97.1	Very high	95.7	Very high	15 Å²	15	55.7 Å²	55.7	7%	0.07	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-41.2	176.9	-169.3	-174.5	-145.5	0	0	112.7	E182 I183 H184 C188 G189 E190 I192 R194 R256 Y260	E182-E186 PolarHBondContact O-N 3.12Å; I183-E186 PolarHBondContact O-N 3Å; H184-E186 VanDerWaalsContact C-N 3.28Å; H184-E186 PolarHBondContact O-N 3.11Å; E186-C188 PolarHBondContact O-N 3.38Å; E186-G189 PolarHBondContact O-N 2.89Å; E186-E190 WeakPolarHBondContact CA-O 3.29Å; E186-I192 HydrophobicContact CB-CD1 3.7Å; E186-I192 HydrophobicContact CB-CG1 3.84Å; E186-I192 HydrophobicContact CB-CG2 4.2Å; E186-I192 HydrophobicContact CG-CD1 4.04Å; E186-I192 HydrophobicContact CG-CG1 3.96Å; E186-R194 IonicContact OE1-CZ 3.75Å; E186-R194 IonicContact OE1-NE 3.7Å; E186-R194 PolarHBondContact OE1-NE 3.39Å; E186-R194 IonicContact OE1-NH2 3.89Å; E186-R194 PolarHBondContact OE1-NH2 3.34Å; E186-R256 PolarHBondContact O-NH2 3.34Å; E186-R256 IonicContact OE2-CZ 3.58Å; E186-R256 IonicContact OE2-NE 3.41Å; E186-R256 PolarHBondContact OE2-NE 2.9Å; E186-R256 IonicContact OE2-NH2 2.7Å; E186-Y260 WeakPolarHBondContact OE2-CE1 3.43Å; E186-Y260 PolarHBondContact OE2-OH 3.3Å
187	R	95.8	Very high	95.8	Very high	12 Å²	12	55.7 Å²	55.7	5%	0.045	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-25.6	175.8	-74.2	174.8	169.2	168	-1.1	112.8	I183 H184 K185 G189 S222 L225 R249 E253	I183-R187 WeakPolarHBondContact O-CG 3.37Å; I183-R187 PolarHBondContact O-N 3.49Å; H184-R187 CarbonylContact O-C 3.58Å; H184-R187 WeakPolarHBondContact O-CB 3.29Å; H184-R187 PolarHBondContact O-N 3.46Å; K185-R187 VanDerWaalsContact C-N 3.35Å; K185-R187 PolarHBondContact O-N 3.44Å; R187-G189 VanDerWaalsContact C-N 3.28Å; R187-S222 PolarHBondContact NH1-OG 2.67Å; R187-S222 PolarHBondContact NH2-OG 2.66Å; R187-L225 HydrophobicContact CB-CD2 4.27Å; R187-L225 VanDerWaalsContact CD-CD2 3.5Å; R187-L225 HydrophobicContact CG-CD2 4.45Å; R187-R249 PolarHBondContact O-NH1 3.03Å; R187-R249 PolarHBondContact O-NH2 2.83Å; R187-E253 IonicContact CZ-OE1 2.67Å; R187-E253 IonicContact CZ-OE2 3.22Å; R187-E253 IonicContact NE-OE1 3.74Å; R187-E253 PolarHBondContact NE-OE1 3.37Å; R187-E253 IonicContact NE-OE2 3.04Å; R187-E253 VanDerWaalsContact NH2-CD 3.34Å; R187-E253 IonicContact NH2-OE1 2.8Å; R187-E253 PolarHBondContact NH2-OE1 2.95Å; R187-E253 IonicContact NH2-OE2 2.67Å; R187-E253 PolarHBondContact NH2-OE2 2.98Å
188	C	94	Very high	95.9	Very high	77 Å²	77	59.3 Å²	59.3	52%	0.52	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-0	171.7	-67.5	0	0	0	0	113.5	H184 K185 E186	H184-C188 VanDerWaalsContact CE1-SG 3.57Å; H184-C188 PolarHBondContact O-N 3.39Å; H184-C188 PolarHBondContact O-SG 2.81Å; K185-C188 CarbonylContact O-C 3.54Å; K185-C188 WeakPolarHBondContact O-CA 3.5Å; K185-C188 WeakPolarHBondContact O-CB 3.34Å; K185-C188 PolarHBondContact O-N 3.39Å; K185-C188 VanDerWaalsContact O-N 3.1Å; E186-C188 PolarHBondContact O-N 3.38Å
189	G	93.1	Very high	96	Very high	70 Å²	70	59.4 Å²	59.4	72%	0.722	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	9	177.5	0	0	0	0	0	114.6	K185 E186 R187	K185-G189 PolarHBondContact O-N 3.23Å; E186-G189 PolarHBondContact O-N 2.89Å; R187-G189 VanDerWaalsContact C-N 3.28Å
190	E	96.2	Very high	96	Very high	112 Å²	112	59.4 Å²	59.4	52%	0.523	32%	0.322	S	S	.	.			trans	-77.3	144.7	173.1	-61.8	179.6	-134.2	0	0	111	K185 E186	K185-E190 HydrophobicContact CB-CB 4.05Å; K185-E190 WeakPolarHBondContact O-CB 3.24Å; K185-E190 PolarHBondContact O-N 3.02Å; E186-E190 WeakPolarHBondContact CA-O 3.29Å
191	A	93.8	Very high	96	Very high	109 Å²	109	58.8 Å²	58.8	90%	0.901	32%	0.319	S	S	*	.			trans	-76.2	127.6	175.5	0	0	0	0	0	110.4
192	I	95.3	Very high	96	Very high	31 Å²	31	60.6 Å²	60.6	16%	0.159	32%	0.319	C	S	.	.			trans	-123.5	162.5	179.5	63.4	152.8	0	0	0	111.7	K185 E186 R194 L197	K185-I192 HydrophobicContact CB-CG2 4Å; E186-I192 HydrophobicContact CB-CD1 3.7Å; E186-I192 HydrophobicContact CB-CG1 3.84Å; E186-I192 HydrophobicContact CB-CG2 4.2Å; E186-I192 HydrophobicContact CG-CD1 4.04Å; E186-I192 HydrophobicContact CG-CG1 3.96Å; I192-R194 HydrophobicContact CD1-CG 4.34Å; I192-R194 HydrophobicContact CG1-CG 4.22Å; I192-R194 PolarHBondContact O-N 2.9Å; I192-R194 VanDerWaalsContact O-N 3.12Å; I192-L197 HydrophobicContact CD1-CD1 3.4Å; I192-L197 HydrophobicContact CD1-CG 4.34Å
193	D	95.9	Very high	96	Very high	90 Å²	90	58.4 Å²	58.4	48%	0.481	31%	0.309	S	S	.	.			trans	-81	89	170.7	-172.3	-14	0	0	0	110.7	Q195 L196 L197	D193-Q195 PolarHBondContact O-N 3.46Å; D193-Q195 PolarHBondContact OD1-N 3.03Å; D193-L196 HydrophobicContact CB-CB 3.77Å; D193-L196 HydrophobicContact CB-CD2 4.44Å; D193-L196 WeakPolarHBondContact O-CB 3.42Å; D193-L196 PolarHBondContact O-N 3.47Å; D193-L196 PolarHBondContact OD1-N 2.81Å; D193-L196 WeakPolarHBondContact OD2-CB 3.3Å; D193-L197 PolarHBondContact O-N 3.01Å; D193-L197 VanDerWaalsContact O-N 3.13Å
194	R	96.8	Very high	96	Very high	87 Å²	87	58.4 Å²	58.4	33%	0.328	31%	0.308	S	S	.	.	H	α-helix	trans	-59.1	-31.4	176.6	-72.6	175.7	164.8	-147.4	-9.1	113.1	E186 I192 R198 D255 V259 Y260	E186-R194 IonicContact OE1-CZ 3.75Å; E186-R194 IonicContact OE1-NE 3.7Å; E186-R194 PolarHBondContact OE1-NE 3.39Å; E186-R194 IonicContact OE1-NH2 3.89Å; E186-R194 PolarHBondContact OE1-NH2 3.34Å; I192-R194 HydrophobicContact CD1-CG 4.34Å; I192-R194 HydrophobicContact CG1-CG 4.22Å; I192-R194 PolarHBondContact O-N 2.9Å; I192-R194 VanDerWaalsContact O-N 3.12Å; R194-R198 WeakPolarHBondContact O-CB 3.35Å; R194-R198 PolarHBondContact O-N 2.86Å; R194-D255 IonicContact CZ-OD2 2.76Å; R194-D255 VanDerWaalsContact CZ-OD2 3.23Å; R194-D255 IonicContact NH1-OD1 3.64Å; R194-D255 IonicContact NH1-OD2 3.53Å; R194-D255 PolarHBondContact NH1-OD2 2.72Å; R194-D255 IonicContact NH2-OD2 3.62Å; R194-D255 PolarHBondContact NH2-OD2 3.29Å; R194-V259 HydrophobicContact CB-CG1 4.03Å; R194-V259 HydrophobicContact CG-CG1 4.42Å; R194-Y260 HydrophobicContact CG-CD1 4.41Å; R194-Y260 HydrophobicContact CG-CE1 4.45Å
195	Q	95.8	Very high	96	Very high	109 Å²	109	55.2 Å²	55.2	51%	0.509	30%	0.296	S	S	.	.	H	α-helix	trans	-75.8	-33.9	-179.1	-178.6	54.9	41.1	0	0	111.4	D193 T199	D193-Q195 PolarHBondContact O-N 3.46Å; D193-Q195 PolarHBondContact OD1-N 3.03Å; Q195-T199 PolarHBondContact O-N 3.13Å; Q195-T199 PolarHBondContact O-OG1 2.9Å
196	L	96.1	Very high	95.9	Very high	32 Å²	32	54 Å²	54	17%	0.168	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-52.7	169.9	175.6	59.2	0	0	0	111.1	L115 A119 D193 R198 T199 V200	L115-L196 HydrophobicContact CB-CD1 4.4Å; L115-L196 HydrophobicContact CB-CD2 3.92Å; L115-L196 HydrophobicContact CB-CG 4.22Å; A119-L196 HydrophobicContact CB-CD1 3.36Å; D193-L196 HydrophobicContact CB-CB 3.77Å; D193-L196 HydrophobicContact CB-CD2 4.44Å; D193-L196 WeakPolarHBondContact O-CB 3.42Å; D193-L196 PolarHBondContact O-N 3.47Å; D193-L196 PolarHBondContact OD1-N 2.81Å; D193-L196 WeakPolarHBondContact OD2-CB 3.3Å; L196-R198 VanDerWaalsContact C-N 3.3Å; L196-R198 PolarHBondContact O-N 3.25Å; L196-T199 WeakPolarHBondContact O-CB 3.41Å; L196-T199 PolarHBondContact O-N 3.45Å; L196-T199 VanDerWaalsContact O-N 3.07Å; L196-V200 HydrophobicContact CD1-CG2 4.2Å; L196-V200 WeakPolarHBondContact O-CG2 3.49Å; L196-V200 PolarHBondContact O-N 3.25Å
197	L	96.5	Very high	95.8	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-56.4	-45.4	176.7	-81.7	-171	0	0	0	111.9	L115 I179 E182 I183 I192 D193 T199 V200 I201 Y260	L115-L197 HydrophobicContact CD1-CD2 4.12Å; I179-L197 HydrophobicContact CG2-CD2 4.15Å; E182-L197 HydrophobicContact CB-CD1 4.09Å; E182-L197 HydrophobicContact CB-CD2 3.97Å; E182-L197 HydrophobicContact CB-CG 4.27Å; I183-L197 HydrophobicContact CG1-CD1 3.96Å; I192-L197 HydrophobicContact CD1-CD1 3.4Å; I192-L197 HydrophobicContact CD1-CG 4.34Å; D193-L197 PolarHBondContact O-N 3.01Å; D193-L197 VanDerWaalsContact O-N 3.13Å; L197-T199 VanDerWaalsContact C-N 3.26Å; L197-T199 PolarHBondContact O-N 3.24Å; L197-V200 PolarHBondContact O-N 3.44Å; L197-I201 WeakPolarHBondContact O-CB 3.47Å; L197-I201 WeakPolarHBondContact O-CG1 3.34Å; L197-I201 PolarHBondContact O-N 3.29Å; L197-Y260 HydrophobicContact CB-CG 4.28Å; L197-Y260 HydrophobicContact CD1-CE1 4.3Å; L197-Y260 HydrophobicContact CD1-CE2 4.28Å
198	R	96.8	Very high	95.8	Very high	138 Å²	138	60 Å²	60	52%	0.521	32%	0.319	S	S	.	.	H	α-helix	trans	-55.8	-42.7	176.6	-176.4	180	-177.7	-173	4.6	112	R194 L196 R202 V259	R194-R198 WeakPolarHBondContact O-CB 3.35Å; R194-R198 PolarHBondContact O-N 2.86Å; L196-R198 VanDerWaalsContact C-N 3.3Å; L196-R198 PolarHBondContact O-N 3.25Å; R198-R202 WeakPolarHBondContact O-CB 3.48Å; R198-R202 PolarHBondContact O-N 3.07Å; R198-V259 WeakPolarHBondContact CD-O 3.25Å
199	T	96.4	Very high	95.9	Very high	43 Å²	43	56.5 Å²	56.5	26%	0.264	30%	0.295	S	S	.	.	H	α-helix	trans	-68	-43.7	-178.6	-60.1	0	0	0	0	111.1	A119 Q195 L196 L197 M203	A119-T199 HydrophobicContact CB-CG2 3.91Å; Q195-T199 PolarHBondContact O-N 3.13Å; Q195-T199 PolarHBondContact O-OG1 2.9Å; L196-T199 WeakPolarHBondContact O-CB 3.41Å; L196-T199 PolarHBondContact O-N 3.45Å; L196-T199 VanDerWaalsContact O-N 3.07Å; L197-T199 VanDerWaalsContact C-N 3.26Å; L197-T199 PolarHBondContact O-N 3.24Å; T199-M203 PolarHBondContact O-N 3.36Å
200	V	96.3	Very high	96.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-69.4	-42.9	178.9	178.5	0	0	0	0	111.5	L115 A119 L175 I179 L196 L197 M203 L204	L115-V200 HydrophobicContact CD2-CG1 4.31Å; A119-V200 HydrophobicContact CB-CG2 4.05Å; L175-V200 HydrophobicContact CD1-CG1 3.83Å; I179-V200 HydrophobicContact CD1-CG1 3.6Å; I179-V200 HydrophobicContact CG1-CG1 4.01Å; L196-V200 HydrophobicContact CD1-CG2 4.2Å; L196-V200 WeakPolarHBondContact O-CG2 3.49Å; L196-V200 PolarHBondContact O-N 3.25Å; L197-V200 PolarHBondContact O-N 3.44Å; V200-M203 HydrophobicContact CG1-CE 4.27Å; V200-M203 VanDerWaalsContact O-CB 3.31Å; V200-M203 WeakPolarHBondContact O-CB 3.3Å; V200-M203 PolarHBondContact O-N 2.96Å; V200-L204 PolarHBondContact O-N 2.86Å; V200-L204 VanDerWaalsContact O-N 3.11Å
201	I	96.7	Very high	96	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-41.8	176.8	-72.4	167.6	0	0	0	110.5	I179 L197 M203 L204 V205 Y210 Y260 L261	I179-I201 HydrophobicContact CG2-CD1 4.42Å; I179-I201 HydrophobicContact CG2-CG1 4.39Å; L197-I201 WeakPolarHBondContact O-CB 3.47Å; L197-I201 WeakPolarHBondContact O-CG1 3.34Å; L197-I201 PolarHBondContact O-N 3.29Å; I201-M203 VanDerWaalsContact C-N 3.27Å; I201-M203 PolarHBondContact O-N 3.13Å; I201-L204 WeakPolarHBondContact O-CA 3.47Å; I201-L204 WeakPolarHBondContact O-CB 3.09Å; I201-L204 PolarHBondContact O-N 3.24Å; I201-V205 WeakPolarHBondContact O-CG2 3.43Å; I201-V205 PolarHBondContact O-N 2.83Å; I201-Y210 HydrophobicContact CG2-CD2 3.78Å; I201-Y210 HydrophobicContact CG2-CE2 3.47Å; I201-Y210 VanDerWaalsContact CG2-CE2 3.47Å; I201-Y260 WeakPolarHBondContact CB-O 3.15Å; I201-Y260 HydrophobicContact CD1-CD2 3.56Å; I201-Y260 HydrophobicContact CD1-CE2 4.28Å; I201-Y260 HydrophobicContact CD1-CG 4.41Å; I201-Y260 WeakPolarHBondContact CD1-O 3.41Å; I201-Y260 WeakPolarHBondContact CG2-O 3.5Å; I201-L261 HydrophobicContact CD1-CD2 4.08Å
202	R	96.1	Very high	95.9	Very high	128 Å²	128	50.4 Å²	50.4	48%	0.483	24%	0.24	S	C	.	.	H	α-helix	trans	-60.9	-38.1	176.1	-170.1	71	-174.2	84.4	16.1	111.8	R198 V205 D206	R198-R202 WeakPolarHBondContact O-CB 3.48Å; R198-R202 PolarHBondContact O-N 3.07Å; R202-V205 VanDerWaalsContact NH1-CG1 3.28Å; R202-V205 PolarHBondContact O-N 3Å; R202-D206 IonicContact CZ-OD1 2.81Å; R202-D206 IonicContact CZ-OD2 2.67Å; R202-D206 VanDerWaalsContact NH1-CG 3.32Å; R202-D206 IonicContact NH1-OD1 3.98Å; R202-D206 PolarHBondContact NH1-OD1 3.07Å; R202-D206 IonicContact NH1-OD2 3.38Å; R202-D206 IonicContact NH2-OD1 3.32Å; R202-D206 PolarHBondContact NH2-OD1 2.9Å; R202-D206 IonicContact NH2-OD2 2.98Å; R202-D206 PolarHBondContact O-N 3.33Å
203	M	96.8	Very high	95.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.4	-48.6	170.1	174.5	-164.5	77.2	0	0	110.9	V118 W122 F161 I166 L175 T199 V200 I201 V205 D206 L207	V118-M203 HydrophobicContact CG1-CE 3.93Å; V118-M203 HydrophobicContact CG1-SD 4.02Å; W122-M203 HydrophobicContact CB-SD 3.98Å; W122-M203 HydrophobicContact CD2-CB 3.95Å; W122-M203 HydrophobicContact CD2-CG 3.49Å; W122-M203 VanDerWaalsContact CD2-CG 3.49Å; W122-M203 HydrophobicContact CD2-SD 3.99Å; W122-M203 HydrophobicContact CE3-CG 3.79Å; W122-M203 HydrophobicContact CE3-SD 4.14Å; W122-M203 HydrophobicContact CG-CB 3.98Å; W122-M203 HydrophobicContact CG-CG 3.83Å; W122-M203 HydrophobicContact CG-SD 3.93Å; W122-M203 HydrophobicContact CH2-CG 4.23Å; W122-M203 HydrophobicContact CZ2-CB 4.21Å; W122-M203 HydrophobicContact CZ2-CG 3.99Å; W122-M203 HydrophobicContact CZ3-CG 4.15Å; F161-M203 HydrophobicContact CE1-SD 3.89Å; I166-M203 HydrophobicContact CD1-CE 3.91Å; I166-M203 HydrophobicContact CD1-SD 4.2Å; I166-M203 HydrophobicContact CG1-CE 4.35Å; L175-M203 HydrophobicContact CD2-CE 3.95Å; T199-M203 PolarHBondContact O-N 3.36Å; V200-M203 HydrophobicContact CG1-CE 4.27Å; V200-M203 VanDerWaalsContact O-CB 3.31Å; V200-M203 WeakPolarHBondContact O-CB 3.3Å; V200-M203 PolarHBondContact O-N 2.96Å; I201-M203 VanDerWaalsContact C-N 3.27Å; I201-M203 PolarHBondContact O-N 3.13Å; M203-V205 VanDerWaalsContact C-N 3.26Å; M203-V205 PolarHBondContact O-N 3.34Å; M203-D206 PolarHBondContact O-N 2.98Å; M203-D206 VanDerWaalsContact O-N 3.16Å; M203-L207 HydrophobicContact CG-CD1 3.66Å; M203-L207 HydrophobicContact CG-CG 4.22Å; M203-L207 WeakPolarHBondContact O-CB 3.4Å; M203-L207 VanDerWaalsContact O-CG 3.24Å; M203-L207 WeakPolarHBondContact O-CG 3.38Å; M203-L207 PolarHBondContact O-N 2.95Å; M203-L207 HydrophobicContact SD-CD1 4.3Å
204	L	96.9	Very high	95.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-36.1	177.8	-62.9	176.8	0	0	0	112.6	I166 L175 M176 I179 V200 I201 K208 L209 Y210 I213 F214	I166-L204 HydrophobicContact CG2-CD2 4.27Å; L175-L204 HydrophobicContact CD2-CD2 4.11Å; M176-L204 HydrophobicContact CE-CD1 3.8Å; M176-L204 HydrophobicContact CE-CD2 4.23Å; I179-L204 HydrophobicContact CD1-CD1 3.77Å; V200-L204 PolarHBondContact O-N 2.86Å; V200-L204 VanDerWaalsContact O-N 3.11Å; I201-L204 WeakPolarHBondContact O-CA 3.47Å; I201-L204 WeakPolarHBondContact O-CB 3.09Å; I201-L204 PolarHBondContact O-N 3.24Å; L204-K208 PolarHBondContact O-N 3.1Å; L204-L209 HydrophobicContact CD2-CB 4.22Å; L204-L209 PolarHBondContact O-N 3.43Å; L204-Y210 PolarHBondContact O-N 3.4Å; L204-Y210 VanDerWaalsContact O-N 3.12Å; L204-I213 HydrophobicContact CD2-CD1 4.29Å; L204-F214 HydrophobicContact CD1-CB 4.06Å; L204-F214 HydrophobicContact CD1-CG 4.37Å
205	V	96.2	Very high	95.8	Very high	29 Å²	29	42.1 Å²	42.1	18%	0.176	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-44.6	174.8	177.9	0	0	0	0	111.1	I201 R202 M203 L207 K208 Y210 D262	I201-V205 WeakPolarHBondContact O-CG2 3.43Å; I201-V205 PolarHBondContact O-N 2.83Å; R202-V205 VanDerWaalsContact NH1-CG1 3.28Å; R202-V205 PolarHBondContact O-N 3Å; M203-V205 VanDerWaalsContact C-N 3.26Å; M203-V205 PolarHBondContact O-N 3.34Å; V205-L207 VanDerWaalsContact C-N 3.3Å; V205-L207 PolarHBondContact O-N 3.35Å; V205-K208 PolarHBondContact O-N 3.05Å; V205-K208 VanDerWaalsContact O-N 3.14Å; V205-Y210 HydrophobicContact CG2-CD2 3.81Å; V205-Y210 HydrophobicContact CG2-CG 3.84Å; V205-D262 HydrophobicContact CG2-CB 4.03Å
206	D	95.3	Very high	95.7	Very high	46 Å²	46	40 Å²	40	25%	0.246	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-36.4	177.7	-73.2	-29.1	0	0	0	111.9	W122 R202 M203 K208	W122-D206 HydrophobicContact CZ2-CB 4.13Å; R202-D206 IonicContact CZ-OD1 2.81Å; R202-D206 IonicContact CZ-OD2 2.67Å; R202-D206 VanDerWaalsContact NH1-CG 3.32Å; R202-D206 IonicContact NH1-OD1 3.98Å; R202-D206 PolarHBondContact NH1-OD1 3.07Å; R202-D206 IonicContact NH1-OD2 3.38Å; R202-D206 IonicContact NH2-OD1 3.32Å; R202-D206 PolarHBondContact NH2-OD1 2.9Å; R202-D206 IonicContact NH2-OD2 2.98Å; R202-D206 PolarHBondContact O-N 3.33Å; M203-D206 PolarHBondContact O-N 2.98Å; M203-D206 VanDerWaalsContact O-N 3.16Å; D206-K208 VanDerWaalsContact C-N 3.25Å; D206-K208 PolarHBondContact O-N 2.99Å
207	L	96.1	Very high	95.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	0.6	176.4	-61.4	175.4	0	0	0	113.8	W122 L158 F161 R162 I166 M203 V205 L209	W122-L207 HydrophobicContact CH2-CD2 3.93Å; W122-L207 HydrophobicContact CH2-CG 4.25Å; W122-L207 HydrophobicContact CZ3-CD2 4.01Å; W122-L207 HydrophobicContact CZ3-CG 4.45Å; L158-L207 HydrophobicContact CB-CD2 4.28Å; L158-L207 HydrophobicContact CD2-CD2 4.07Å; L158-L207 WeakPolarHBondContact O-CD2 3.31Å; F161-L207 HydrophobicContact CB-CD2 4.39Å; F161-L207 HydrophobicContact CD1-CD1 3.83Å; F161-L207 HydrophobicContact CD1-CD2 4.15Å; F161-L207 HydrophobicContact CE1-CD1 4.26Å; R162-L207 HydrophobicContact CB-CB 4.41Å; R162-L207 HydrophobicContact CB-CD2 4.17Å; R162-L207 VanDerWaalsContact CD-O 3.27Å; R162-L207 WeakPolarHBondContact CD-O 3.39Å; R162-L207 HydrophobicContact CG-CB 4.46Å; R162-L207 PolarHBondContact NE-O 3.37Å; I166-L207 HydrophobicContact CB-CD1 4.3Å; I166-L207 HydrophobicContact CG1-CD1 3.72Å; M203-L207 HydrophobicContact CG-CD1 3.66Å; M203-L207 HydrophobicContact CG-CG 4.22Å; M203-L207 WeakPolarHBondContact O-CB 3.4Å; M203-L207 VanDerWaalsContact O-CG 3.24Å; M203-L207 WeakPolarHBondContact O-CG 3.38Å; M203-L207 PolarHBondContact O-N 2.95Å; M203-L207 HydrophobicContact SD-CD1 4.3Å; V205-L207 VanDerWaalsContact C-N 3.3Å; V205-L207 PolarHBondContact O-N 3.35Å; L207-L209 HydrophobicContact CB-CB 4.47Å; L207-L209 HydrophobicContact CB-CD1 4.07Å; L207-L209 HydrophobicContact CB-CG 4.1Å; L207-L209 HydrophobicContact CD1-CD1 4.38Å; L207-L209 PolarHBondContact O-N 3.34Å
208	K	95.5	Very high	95.8	Very high	151 Å²	151	42.6 Å²	42.6	66%	0.657	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	39.2	-176.4	-52.5	-60.1	179.2	-170.9	0	112.8	R162 L204 V205 D206	R162-K208 PolarHBondContact NH2-O 2.94Å; L204-K208 PolarHBondContact O-N 3.1Å; V205-K208 PolarHBondContact O-N 3.05Å; V205-K208 VanDerWaalsContact O-N 3.14Å; D206-K208 VanDerWaalsContact C-N 3.25Å; D206-K208 PolarHBondContact O-N 2.99Å
209	L	95.9	Very high	95.8	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	20%	0.197	C	C	.	.			trans	-110.2	-19.5	178.9	-74.4	-178.2	0	0	0	112.8	R162 I166 T167 L204 L207 D211 S212 I213	R162-L209 HydrophobicContact CG-CD1 3.85Å; R162-L209 HydrophobicContact CG-CD2 4.05Å; R162-L209 HydrophobicContact CG-CG 3.94Å; I166-L209 HydrophobicContact CB-CD1 4.05Å; I166-L209 HydrophobicContact CG2-CD1 3.47Å; I166-L209 VanDerWaalsContact CG2-CD1 3.47Å; T167-L209 HydrophobicContact CG2-CD1 4.02Å; T167-L209 HydrophobicContact CG2-CD2 3.81Å; L204-L209 HydrophobicContact CD2-CB 4.22Å; L204-L209 PolarHBondContact O-N 3.43Å; L207-L209 HydrophobicContact CB-CB 4.47Å; L207-L209 HydrophobicContact CB-CD1 4.07Å; L207-L209 HydrophobicContact CB-CG 4.1Å; L207-L209 HydrophobicContact CD1-CD1 4.38Å; L207-L209 PolarHBondContact O-N 3.34Å; L209-D211 PolarHBondContact O-N 3.25Å; L209-S212 WeakPolarHBondContact CA-OG 3.47Å; L209-S212 PolarHBondContact O-N 2.91Å; L209-S212 PolarHBondContact O-OG 3.02Å; L209-S212 VanDerWaalsContact O-OG 3.11Å; L209-I213 HydrophobicContact CB-CD1 3.98Å; L209-I213 HydrophobicContact CB-CG1 3.91Å; L209-I213 HydrophobicContact CD1-CD1 4.17Å; L209-I213 HydrophobicContact CD2-CD1 4.5Å; L209-I213 HydrophobicContact CG-CD1 4.46Å; L209-I213 WeakPolarHBondContact O-CG1 3.34Å; L209-I213 PolarHBondContact O-N 2.95Å
210	Y	96.9	Very high	95.9	Very high	3 Å²	3	38 Å²	38	1%	0.012	20%	0.203	C	C	.	.	I	π-helix	trans	-49.5	-56.6	-176.1	-174.2	-92.5	0	0	0	113.1	I201 L204 V205 F214 L215 D262 T266	I201-Y210 HydrophobicContact CG2-CD2 3.78Å; I201-Y210 HydrophobicContact CG2-CE2 3.47Å; I201-Y210 VanDerWaalsContact CG2-CE2 3.47Å; L204-Y210 PolarHBondContact O-N 3.4Å; L204-Y210 VanDerWaalsContact O-N 3.12Å; V205-Y210 HydrophobicContact CG2-CD2 3.81Å; V205-Y210 HydrophobicContact CG2-CG 3.84Å; Y210-F214 AromaticContact CD2-CD1 3.64Å; Y210-F214 HydrophobicContact CD2-CD1 3.64Å; Y210-F214 HydrophobicContact CD2-CE1 4.23Å; Y210-F214 HydrophobicContact CD2-CG 4.46Å; Y210-F214 HydrophobicContact CE1-CD1 4.33Å; Y210-F214 AromaticContact CE2-CD1 3.26Å; Y210-F214 HydrophobicContact CE2-CD1 3.26Å; Y210-F214 AromaticContact CE2-CE1 3.4Å; Y210-F214 HydrophobicContact CE2-CE1 3.4Å; Y210-F214 VanDerWaalsContact CE2-CE1 3.4Å; Y210-F214 HydrophobicContact CE2-CG 4.39Å; Y210-F214 HydrophobicContact CG-CD1 4.33Å; Y210-F214 AromaticContact CZ-CD1 3.66Å; Y210-F214 AromaticContact CZ-CE1 3.65Å; Y210-F214 WeakPolarHBondContact O-CA 3.38Å; Y210-F214 WeakPolarHBondContact O-CB 3.47Å; Y210-F214 PolarHBondContact O-N 3Å; Y210-F214 VanDerWaalsContact O-N 3.1Å; Y210-L215 HydrophobicContact CE1-CB 4.34Å; Y210-L215 HydrophobicContact CE1-CD1 4.28Å; Y210-L215 PolarHBondContact O-N 3.22Å; Y210-D262 HydrophobicContact CD1-CB 4.03Å; Y210-D262 HydrophobicContact CE1-CB 3.69Å; Y210-D262 HydrophobicContact CE2-CB 4.22Å; Y210-D262 HydrophobicContact CG-CB 4.44Å; Y210-D262 PolarHBondContact OH-N 3.12Å; Y210-T266 VanDerWaalsContact CE1-OG1 3.26Å; Y210-T266 WeakPolarHBondContact CE1-OG1 3.19Å; Y210-T266 PolarHBondContact OH-OG1 3.01Å
211	D	94.7	Very high	95.9	Very high	86 Å²	86	43.2 Å²	43.2	46%	0.46	23%	0.225	S	C	.	.	I	π-helix	trans	-69.9	-38.8	-178	-55.5	-51	0	0	0	112.6	L209 L215 S265	L209-D211 PolarHBondContact O-N 3.25Å; D211-L215 HydrophobicContact CB-CD2 4.46Å; D211-L215 WeakPolarHBondContact OD1-CD2 3.14Å; D211-S265 WeakPolarHBondContact OD1-CB 3.41Å; D211-S265 PolarHBondContact OD1-OG 3.29Å
212	S	91.6	Very high	95.9	Very high	74 Å²	74	43.1 Å²	43.1	52%	0.517	23%	0.225	S	C	.	.	I	π-helix	trans	-75.8	-32.8	-170.4	56.3	0	0	0	0	114.3	L209	L209-S212 WeakPolarHBondContact CA-OG 3.47Å; L209-S212 PolarHBondContact O-N 2.91Å; L209-S212 PolarHBondContact O-OG 3.02Å; L209-S212 VanDerWaalsContact O-OG 3.11Å
213	I	92.2	Very high	96	Very high	20 Å²	20	41.4 Å²	41.4	10%	0.103	22%	0.222	C	C	.	.	I	π-helix	trans	-121.6	-33.6	-174.7	61.9	160	0	0	0	113.3	Q172 M176 L204 L209	Q172-I213 HydrophobicContact CG-CD1 3.78Å; M176-I213 HydrophobicContact CE-CD1 3.88Å; M176-I213 HydrophobicContact SD-CB 4.47Å; M176-I213 HydrophobicContact SD-CD1 3.99Å; M176-I213 HydrophobicContact SD-CG1 4.14Å; L204-I213 HydrophobicContact CD2-CD1 4.29Å; L209-I213 HydrophobicContact CB-CD1 3.98Å; L209-I213 HydrophobicContact CB-CG1 3.91Å; L209-I213 HydrophobicContact CD1-CD1 4.17Å; L209-I213 HydrophobicContact CD2-CD1 4.5Å; L209-I213 HydrophobicContact CG-CD1 4.46Å; L209-I213 WeakPolarHBondContact O-CG1 3.34Å; L209-I213 PolarHBondContact O-N 2.95Å
214	F	96.4	Very high	96	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-93	-51	-174.1	168.6	-100.1	0	0	0	112	M176 I179 L180 I183 L204 Y210 A216 E217 F218 L261	M176-F214 HydrophobicContact SD-CB 3.85Å; M176-F214 HydrophobicContact SD-CD2 4.24Å; I179-F214 HydrophobicContact CB-CE2 4.45Å; I179-F214 HydrophobicContact CG2-CD2 4.12Å; I179-F214 HydrophobicContact CG2-CE2 3.49Å; I179-F214 VanDerWaalsContact CG2-CE2 3.49Å; I179-F214 HydrophobicContact CG2-CZ 4.24Å; L180-F214 HydrophobicContact CD2-CE2 3.99Å; I183-F214 HydrophobicContact CD1-CE2 4.19Å; I183-F214 HydrophobicContact CD1-CZ 3.92Å; L204-F214 HydrophobicContact CD1-CB 4.06Å; L204-F214 HydrophobicContact CD1-CG 4.37Å; Y210-F214 AromaticContact CD2-CD1 3.64Å; Y210-F214 HydrophobicContact CD2-CD1 3.64Å; Y210-F214 HydrophobicContact CD2-CE1 4.23Å; Y210-F214 HydrophobicContact CD2-CG 4.46Å; Y210-F214 HydrophobicContact CE1-CD1 4.33Å; Y210-F214 AromaticContact CE2-CD1 3.26Å; Y210-F214 HydrophobicContact CE2-CD1 3.26Å; Y210-F214 AromaticContact CE2-CE1 3.4Å; Y210-F214 HydrophobicContact CE2-CE1 3.4Å; Y210-F214 VanDerWaalsContact CE2-CE1 3.4Å; Y210-F214 HydrophobicContact CE2-CG 4.39Å; Y210-F214 HydrophobicContact CG-CD1 4.33Å; Y210-F214 AromaticContact CZ-CD1 3.66Å; Y210-F214 AromaticContact CZ-CE1 3.65Å; Y210-F214 WeakPolarHBondContact O-CA 3.38Å; Y210-F214 WeakPolarHBondContact O-CB 3.47Å; Y210-F214 PolarHBondContact O-N 3Å; Y210-F214 VanDerWaalsContact O-N 3.1Å; F214-A216 VanDerWaalsContact C-N 3.35Å; F214-A216 PolarHBondContact O-N 3.11Å; F214-E217 PolarHBondContact O-N 3.01Å; F214-F218 HydrophobicContact CD1-CB 4.4Å; F214-F218 HydrophobicContact CD2-CB 4.41Å; F214-F218 HydrophobicContact CE1-CB 3.95Å; F214-F218 HydrophobicContact CE1-CD1 4.37Å; F214-F218 HydrophobicContact CE1-CG 4.06Å; F214-F218 HydrophobicContact CE2-CB 3.94Å; F214-F218 HydrophobicContact CE2-CG 4.4Å; F214-F218 HydrophobicContact CZ-CB 3.71Å; F214-F218 HydrophobicContact CZ-CD1 4.46Å; F214-F218 AromaticContact CZ-CD2 3.94Å; F214-F218 HydrophobicContact CZ-CD2 3.94Å; F214-F218 AromaticContact CZ-CG 3.77Å; F214-F218 HydrophobicContact CZ-CG 3.77Å; F214-F218 VanDerWaalsContact O-CB 3.3Å; F214-F218 WeakPolarHBondContact O-CB 3.5Å; F214-F218 PolarHBondContact O-N 3.14Å; F214-L261 HydrophobicContact CE1-CD2 3.91Å; F214-L261 HydrophobicContact CZ-CD2 3.95Å
215	L	96.7	Very high	96	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.068	25%	0.253	C	S	.	.	I	π-helix	trans	-58.6	-44.4	-169.2	-179	59.4	0	0	0	112.5	Y210 D211 F218 L219 T266 L269	Y210-L215 HydrophobicContact CE1-CB 4.34Å; Y210-L215 HydrophobicContact CE1-CD1 4.28Å; Y210-L215 PolarHBondContact O-N 3.22Å; D211-L215 HydrophobicContact CB-CD2 4.46Å; D211-L215 WeakPolarHBondContact OD1-CD2 3.14Å; L215-F218 PolarHBondContact O-N 3.28Å; L215-L219 HydrophobicContact CD1-CD1 3.87Å; L215-L219 HydrophobicContact CD1-CG 4.02Å; L215-L219 HydrophobicContact CG-CD1 3.96Å; L215-L219 HydrophobicContact CG-CG 4.48Å; L215-L219 WeakPolarHBondContact O-CB 3.44Å; L215-L219 VanDerWaalsContact O-CG 3.24Å; L215-L219 WeakPolarHBondContact O-CG 3.47Å; L215-L219 PolarHBondContact O-N 3.27Å; L215-T266 HydrophobicContact CD1-CG2 3.88Å; L215-L269 HydrophobicContact CD2-CD1 4.07Å
216	A	94.6	Very high	96.1	Very high	65 Å²	65	46.4 Å²	46.4	54%	0.537	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-45.4	179.9	0	0	0	0	0	112.4	F214 C220	F214-A216 VanDerWaalsContact C-N 3.35Å; F214-A216 PolarHBondContact O-N 3.11Å; A216-C220 WeakPolarHBondContact O-CB 3.41Å; A216-C220 PolarHBondContact O-N 3.49Å
217	E	95.6	Very high	96.2	Very high	85 Å²	85	45.3 Å²	45.3	40%	0.397	24%	0.242	S	C	.	.	H	α-helix	trans	-67.5	-41.9	177.5	-67.3	-170.8	-168.6	0	0	111.6	L180 F214 L219 C220 K221	L180-E217 HydrophobicContact CD1-CB 4.07Å; F214-E217 PolarHBondContact O-N 3.01Å; E217-L219 PolarHBondContact O-N 3.38Å; E217-C220 WeakPolarHBondContact O-CB 3.34Å; E217-C220 PolarHBondContact O-N 3.31Å; E217-K221 WeakPolarHBondContact O-CG 3.12Å; E217-K221 PolarHBondContact O-N 3.43Å
218	F	97.8	Very high	96.2	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-45.5	176.6	169.2	-108.2	0	0	0	112.3	L180 I183 F214 L215 K221 S222 L261 T266 L270	L180-F218 HydrophobicContact CD2-CB 3.91Å; L180-F218 HydrophobicContact CD2-CD2 4.12Å; I183-F218 HydrophobicContact CD1-CD2 4.09Å; I183-F218 HydrophobicContact CD1-CE2 4.12Å; I183-F218 HydrophobicContact CG2-CE2 4.06Å; F214-F218 HydrophobicContact CD1-CB 4.4Å; F214-F218 HydrophobicContact CD2-CB 4.41Å; F214-F218 HydrophobicContact CE1-CB 3.95Å; F214-F218 HydrophobicContact CE1-CD1 4.37Å; F214-F218 HydrophobicContact CE1-CG 4.06Å; F214-F218 HydrophobicContact CE2-CB 3.94Å; F214-F218 HydrophobicContact CE2-CG 4.4Å; F214-F218 HydrophobicContact CZ-CB 3.71Å; F214-F218 HydrophobicContact CZ-CD1 4.46Å; F214-F218 AromaticContact CZ-CD2 3.94Å; F214-F218 HydrophobicContact CZ-CD2 3.94Å; F214-F218 AromaticContact CZ-CG 3.77Å; F214-F218 HydrophobicContact CZ-CG 3.77Å; F214-F218 VanDerWaalsContact O-CB 3.3Å; F214-F218 WeakPolarHBondContact O-CB 3.5Å; F214-F218 PolarHBondContact O-N 3.14Å; L215-F218 PolarHBondContact O-N 3.28Å; F218-K221 PolarHBondContact O-N 2.91Å; F218-S222 VanDerWaalsContact O-CB 3.3Å; F218-S222 WeakPolarHBondContact O-CB 3.43Å; F218-S222 PolarHBondContact O-N 3.47Å; F218-S222 PolarHBondContact O-OG 2.97Å; F218-L261 HydrophobicContact CE1-CD1 4.24Å; F218-L261 HydrophobicContact CZ-CD1 3.94Å; F218-L261 HydrophobicContact CZ-CD2 4.4Å; F218-T266 HydrophobicContact CD1-CG2 4.21Å; F218-T266 HydrophobicContact CE1-CG2 3.74Å; F218-L270 HydrophobicContact CE1-CD1 3.94Å; F218-L270 HydrophobicContact CE1-CD2 4.02Å; F218-L270 HydrophobicContact CE1-CG 4.42Å; F218-L270 HydrophobicContact CZ-CD1 3.98Å; F218-L270 HydrophobicContact CZ-CD2 4.01Å
219	L	97.8	Very high	96.2	Very high	27 Å²	27	46.5 Å²	46.5	14%	0.141	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-42.1	176.9	-70.2	171.9	0	0	0	111.4	L215 E217 K221 S222 Q223 L269 L270	L215-L219 HydrophobicContact CD1-CD1 3.87Å; L215-L219 HydrophobicContact CD1-CG 4.02Å; L215-L219 HydrophobicContact CG-CD1 3.96Å; L215-L219 HydrophobicContact CG-CG 4.48Å; L215-L219 WeakPolarHBondContact O-CB 3.44Å; L215-L219 VanDerWaalsContact O-CG 3.24Å; L215-L219 WeakPolarHBondContact O-CG 3.47Å; L215-L219 PolarHBondContact O-N 3.27Å; E217-L219 PolarHBondContact O-N 3.38Å; L219-K221 PolarHBondContact O-N 3.21Å; L219-S222 PolarHBondContact O-N 2.86Å; L219-Q223 WeakPolarHBondContact O-CB 3.32Å; L219-Q223 PolarHBondContact O-N 2.82Å; L219-L269 HydrophobicContact CD1-CB 3.71Å; L219-L269 HydrophobicContact CD1-CD1 3.81Å; L219-L269 HydrophobicContact CD1-CG 4.35Å; L219-L269 HydrophobicContact CD2-CB 4Å; L219-L270 HydrophobicContact CD2-CB 4.17Å; L219-L270 HydrophobicContact CD2-CD1 4.5Å
220	C	97	Very high	96.1	Very high	58 Å²	58	46.5 Å²	46.5	39%	0.392	24%	0.244	S	C	.	.	H	α-helix	trans	-58.2	-47.5	175.4	-179.3	0	0	0	0	111.7	A216 E217 Q223 Q224	A216-C220 WeakPolarHBondContact O-CB 3.41Å; A216-C220 PolarHBondContact O-N 3.49Å; E217-C220 WeakPolarHBondContact O-CB 3.34Å; E217-C220 PolarHBondContact O-N 3.31Å; C220-Q223 PolarHBondContact O-N 2.7Å; C220-Q224 WeakPolarHBondContact O-CG 3.26Å; C220-Q224 PolarHBondContact O-N 2.95Å
221	K	97	Very high	96	Very high	111 Å²	111	49.4 Å²	49.4	48%	0.483	26%	0.26	S	S	.	.	H	α-helix	trans	-65.4	-38.5	176.1	-69.6	-60.5	-175.5	-179.3	0	112.9	L180 E217 F218 L219 Q224 L225	L180-K221 HydrophobicContact CD1-CG 4.17Å; E217-K221 WeakPolarHBondContact O-CG 3.12Å; E217-K221 PolarHBondContact O-N 3.43Å; F218-K221 PolarHBondContact O-N 2.91Å; L219-K221 PolarHBondContact O-N 3.21Å; K221-Q224 PolarHBondContact O-N 2.92Å; K221-L225 WeakPolarHBondContact O-CB 2.99Å; K221-L225 PolarHBondContact O-N 3.2Å
222	S	97.6	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-42.7	176.3	-58.7	0	0	0	0	111.3	R187 F218 L219 L225 Y226	R187-S222 PolarHBondContact NH1-OG 2.67Å; R187-S222 PolarHBondContact NH2-OG 2.66Å; F218-S222 VanDerWaalsContact O-CB 3.3Å; F218-S222 WeakPolarHBondContact O-CB 3.43Å; F218-S222 PolarHBondContact O-N 3.47Å; F218-S222 PolarHBondContact O-OG 2.97Å; L219-S222 PolarHBondContact O-N 2.86Å; S222-L225 PolarHBondContact O-N 2.74Å; S222-Y226 WeakPolarHBondContact O-CD2 3.49Å; S222-Y226 PolarHBondContact O-N 2.62Å
223	Q	97.9	Very high	96.1	Very high	93 Å²	93	45 Å²	45	44%	0.435	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-47.1	175.3	-169.4	179.3	17.1	0	0	111.4	L219 C220 L225 Y226 A227 T273 E277	L219-Q223 WeakPolarHBondContact O-CB 3.32Å; L219-Q223 PolarHBondContact O-N 2.82Å; C220-Q223 PolarHBondContact O-N 2.7Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 2.92Å; Q223-Y226 PolarHBondContact O-N 3.41Å; Q223-A227 WeakPolarHBondContact O-CB 3.46Å; Q223-A227 PolarHBondContact O-N 2.98Å; Q223-T273 HydrophobicContact CB-CG2 3.7Å; Q223-T273 HydrophobicContact CG-CG2 4.09Å; Q223-E277 HydrophobicContact CG-CG 3.81Å; Q223-E277 WeakPolarHBondContact CG-OE1 3.36Å; Q223-E277 PolarHBondContact NE2-OE1 3.33Å
224	Q	97.5	Very high	96	Very high	107 Å²	107	44.9 Å²	44.9	50%	0.5	23%	0.232	S	C	.	.	H	α-helix	trans	-57.9	-44	177	-72.5	171.1	3.8	0	0	112	C220 K221 Y228	C220-Q224 WeakPolarHBondContact O-CG 3.26Å; C220-Q224 PolarHBondContact O-N 2.95Å; K221-Q224 PolarHBondContact O-N 2.92Å; Q224-Y228 WeakPolarHBondContact O-CB 3.47Å; Q224-Y228 PolarHBondContact O-N 2.93Å; Q224-Y228 VanDerWaalsContact O-N 3.13Å
225	L	96.8	Very high	95.6	Very high	27 Å²	27	54.3 Å²	54.3	14%	0.141	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-54.1	177.8	176.2	67.2	0	0	0	111.7	R187 K221 S222 Q223 A227 Y228 E229	R187-L225 HydrophobicContact CB-CD2 4.27Å; R187-L225 VanDerWaalsContact CD-CD2 3.5Å; R187-L225 HydrophobicContact CG-CD2 4.45Å; K221-L225 WeakPolarHBondContact O-CB 2.99Å; K221-L225 PolarHBondContact O-N 3.2Å; S222-L225 PolarHBondContact O-N 2.74Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 2.92Å; L225-A227 VanDerWaalsContact C-N 3.31Å; L225-A227 PolarHBondContact O-N 3.26Å; L225-Y228 PolarHBondContact O-N 3.07Å; L225-E229 HydrophobicContact CD1-CG 4.36Å; L225-E229 PolarHBondContact O-N 3.46Å
226	Y	97.8	Very high	95.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-71.9	-28.4	-175.9	-64.8	-53.1	0	0	0	112.9	S222 Q223 A230 R249 E253 L274 L278	S222-Y226 WeakPolarHBondContact O-CD2 3.49Å; S222-Y226 PolarHBondContact O-N 2.62Å; Q223-Y226 PolarHBondContact O-N 3.41Å; Y226-A230 VanDerWaalsContact O-CB 3.26Å; Y226-A230 WeakPolarHBondContact O-CB 3.03Å; Y226-A230 PolarHBondContact O-N 3.47Å; Y226-R249 HydrophobicContact CE1-CB 4.39Å; Y226-R249 HydrophobicContact CE1-CG 4.25Å; Y226-E253 WeakPolarHBondContact OH-CG 3.45Å; Y226-E253 PolarHBondContact OH-OE1 3.33Å; Y226-L274 HydrophobicContact CD2-CD1 3.78Å; Y226-L274 HydrophobicContact CD2-CG 3.8Å; Y226-L274 HydrophobicContact CE1-CG 4.38Å; Y226-L274 HydrophobicContact CE2-CD1 3.3Å; Y226-L274 HydrophobicContact CE2-CD2 4.29Å; Y226-L274 HydrophobicContact CE2-CG 3.56Å; Y226-L274 HydrophobicContact CG-CG 4.33Å; Y226-L278 HydrophobicContact CD1-CD1 3.89Å; Y226-L278 HydrophobicContact CD1-CD2 4.08Å; Y226-L278 HydrophobicContact CD1-CG 4.25Å; Y226-L278 HydrophobicContact CE1-CD1 4.43Å; Y226-L278 HydrophobicContact CG-CD1 4.28Å; Y226-L278 HydrophobicContact CG-CD2 4.36Å; Y226-L278 HydrophobicContact CG-CG 4.31Å
227	A	96.6	Very high	95.5	Very high	23 Å²	23	59.8 Å²	59.8	19%	0.19	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-48.8	170.7	0	0	0	0	0	110.8	Q223 L225 A230 D231 E277 R281	Q223-A227 WeakPolarHBondContact O-CB 3.46Å; Q223-A227 PolarHBondContact O-N 2.98Å; L225-A227 VanDerWaalsContact C-N 3.31Å; L225-A227 PolarHBondContact O-N 3.26Å; A227-A230 PolarHBondContact O-N 2.92Å; A227-D231 PolarHBondContact O-N 2.82Å; A227-E277 HydrophobicContact CB-CG 4.49Å; A227-R281 PolarHBondContact O-NH2 3Å
228	Y	96	Very high	95.4	Very high	159 Å²	159	58.4 Å²	58.4	62%	0.624	28%	0.283	S	S	*	.	H	α-helix	trans	-64.5	-44.1	176.9	177.2	-97.2	0	0	0	112.9	Q224 L225 D231 T232	Q224-Y228 WeakPolarHBondContact O-CB 3.47Å; Q224-Y228 PolarHBondContact O-N 2.93Å; Q224-Y228 VanDerWaalsContact O-N 3.13Å; L225-Y228 PolarHBondContact O-N 3.07Å; Y228-D231 PolarHBondContact O-N 2.76Å; Y228-T232 WeakPolarHBondContact O-CB 3.07Å; Y228-T232 PolarHBondContact O-N 2.84Å; Y228-T232 PolarHBondContact O-OG1 3.13Å
229	E	95.5	Very high	95.2	Very high	21 Å²	21	58.8 Å²	58.8	10%	0.098	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-46.2	176.6	-78.8	-168.4	-167.3	0	0	111.3	L225 D231 T232 L233 H245 R249	L225-E229 HydrophobicContact CD1-CG 4.36Å; L225-E229 PolarHBondContact O-N 3.46Å; E229-D231 PolarHBondContact O-N 3.43Å; E229-T232 PolarHBondContact O-N 2.69Å; E229-L233 HydrophobicContact CB-CD1 4.23Å; E229-L233 HydrophobicContact CG-CD1 4.48Å; E229-L233 WeakPolarHBondContact O-CB 3.28Å; E229-L233 WeakPolarHBondContact O-CG 3.27Å; E229-L233 PolarHBondContact O-N 3.35Å; E229-H245 IonicContact OE2-CE1 2.71Å; E229-H245 IonicContact OE2-NE2 2.91Å; E229-H245 PolarHBondContact OE2-NE2 3.23Å; E229-R249 IonicContact OE1-CZ 2.66Å; E229-R249 IonicContact OE1-NE 3.69Å; E229-R249 PolarHBondContact OE1-NE 2.69Å; E229-R249 IonicContact OE1-NH2 2.82Å; E229-R249 PolarHBondContact OE1-NH2 3.09Å; E229-R249 IonicContact OE2-CZ 3.76Å; E229-R249 IonicContact OE2-NE 2.66Å; E229-R249 PolarHBondContact OE2-NE 3.35Å; E229-R249 VanDerWaalsContact OE2-NE 3.1Å; E229-R249 IonicContact OE2-NH2 3.58Å
230	A	95.1	Very high	95.1	Very high	2 Å²	2	59 Å²	59	2%	0.017	29%	0.289	C	S	.	.	H	α-helix	trans	-59.2	-46.8	176.5	0	0	0	0	0	111.6	Y226 A227 T232 S234 Y242 E277 L278	Y226-A230 VanDerWaalsContact O-CB 3.26Å; Y226-A230 WeakPolarHBondContact O-CB 3.03Å; Y226-A230 PolarHBondContact O-N 3.47Å; A227-A230 PolarHBondContact O-N 2.92Å; A230-T232 VanDerWaalsContact C-N 3.28Å; A230-T232 PolarHBondContact O-N 2.59Å; A230-S234 WeakPolarHBondContact O-CB 3.26Å; A230-S234 PolarHBondContact O-N 3.4Å; A230-S234 VanDerWaalsContact O-N 3.08Å; A230-S234 PolarHBondContact O-OG 3.41Å; A230-Y242 WeakPolarHBondContact CB-OH 3.33Å; A230-E277 WeakPolarHBondContact CB-O 3.5Å; A230-L278 HydrophobicContact CB-CD2 4.12Å
231	D	93.4	Very high	95	Very high	65 Å²	65	61.2 Å²	61.2	35%	0.348	29%	0.294	S	S	.	.	H	α-helix	trans	-66.2	-30.6	-178.5	-72.2	-10.9	0	0	0	113.2	A227 Y228 E229 R235 R281	A227-D231 PolarHBondContact O-N 2.82Å; Y228-D231 PolarHBondContact O-N 2.76Å; E229-D231 PolarHBondContact O-N 3.43Å; D231-R235 WeakPolarHBondContact O-CD 3.33Å; D231-R235 PolarHBondContact O-NE 2.59Å; D231-R235 PolarHBondContact O-NH1 3.08Å; D231-R281 IonicContact OD1-CZ 3.89Å; D231-R281 IonicContact OD1-NH1 3.62Å; D231-R281 PolarHBondContact OD1-NH1 2.93Å; D231-R281 IonicContact OD1-NH2 2.72Å; D231-R281 IonicContact OD2-NH1 3.72Å
232	T	94.6	Very high	95	Very high	33 Å²	33	56 Å²	56	20%	0.202	27%	0.271	C	S	.	.	H	α-helix	trans	-86	-54.6	-178.3	-54.7	0	0	0	0	110.9	Y228 E229 A230 R235 Q236	Y228-T232 WeakPolarHBondContact O-CB 3.07Å; Y228-T232 PolarHBondContact O-N 2.84Å; Y228-T232 PolarHBondContact O-OG1 3.13Å; E229-T232 PolarHBondContact O-N 2.69Å; A230-T232 VanDerWaalsContact C-N 3.28Å; A230-T232 PolarHBondContact O-N 2.59Å; T232-R235 PolarHBondContact O-N 3.16Å; T232-Q236 WeakPolarHBondContact O-CG 3.22Å; T232-Q236 PolarHBondContact O-N 3.25Å
233	L	94.2	Very high	95	Very high	33 Å²	33	56.3 Å²	56.3	17%	0.173	27%	0.272	C	S	.	.	H	α-helix	trans	-75.6	-31	-171.1	-61	178.9	0	0	0	112.5	E229 R235 Q236 L237 Y242 H245	E229-L233 HydrophobicContact CB-CD1 4.23Å; E229-L233 HydrophobicContact CG-CD1 4.48Å; E229-L233 WeakPolarHBondContact O-CB 3.28Å; E229-L233 WeakPolarHBondContact O-CG 3.27Å; E229-L233 PolarHBondContact O-N 3.35Å; L233-R235 PolarHBondContact O-N 3.34Å; L233-R235 VanDerWaalsContact O-N 3.16Å; L233-Q236 PolarHBondContact O-N 2.78Å; L233-L237 HydrophobicContact CB-CD1 4.11Å; L233-L237 HydrophobicContact CB-CG 4.45Å; L233-L237 HydrophobicContact CD2-CD1 4.36Å; L233-L237 WeakPolarHBondContact O-CB 3.38Å; L233-L237 PolarHBondContact O-N 3.32Å; L233-Y242 HydrophobicContact CB-CD2 3.96Å; L233-Y242 HydrophobicContact CB-CE2 4.07Å; L233-H245 VanDerWaalsContact CD1-CD2 3.48Å; L233-H245 WeakPolarHBondContact CD1-CD2 3.36Å; L233-H245 VanDerWaalsContact CD1-NE2 3.26Å; L233-H245 WeakPolarHBondContact CD1-NE2 3.43Å
234	S	89.5	Confident	94.9	Very high	18 Å²	18	57 Å²	57	13%	0.126	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-22.2	175.2	63.7	0	0	0	0	113.3	A230 Y285	A230-S234 WeakPolarHBondContact O-CB 3.26Å; A230-S234 PolarHBondContact O-N 3.4Å; A230-S234 VanDerWaalsContact O-N 3.08Å; A230-S234 PolarHBondContact O-OG 3.41Å; S234-Y285 PolarHBondContact O-OH 3.07Å
235	R	89.6	Confident	94.9	Very high	198 Å²	198	53.8 Å²	53.8	75%	0.747	26%	0.263	S	S	*	.	H	α-helix	trans	-93.8	-25.5	177.7	-61.1	178.9	-174.4	140.4	2.1	113.3	D231 T232 L233	D231-R235 WeakPolarHBondContact O-CD 3.33Å; D231-R235 PolarHBondContact O-NE 2.59Å; D231-R235 PolarHBondContact O-NH1 3.08Å; T232-R235 PolarHBondContact O-N 3.16Å; L233-R235 PolarHBondContact O-N 3.34Å; L233-R235 VanDerWaalsContact O-N 3.16Å
236	Q	93.7	Very high	94.9	Very high	139 Å²	139	52.5 Å²	52.5	65%	0.65	26%	0.257	S	S	*	.	H	α-helix	trans	-94.9	-33.3	-175.2	-71	177.6	-5.3	0	0	112.9	T232 L233	T232-Q236 WeakPolarHBondContact O-CG 3.22Å; T232-Q236 PolarHBondContact O-N 3.25Å; L233-Q236 PolarHBondContact O-N 2.78Å
237	L	94.2	Very high	94.9	Very high	55 Å²	55	54.5 Å²	54.5	29%	0.288	27%	0.267	S	S	.	.	S	Bend	trans	-100	153.4	-176.2	-59.1	-178.7	0	0	0	110.9	L233 E241	L233-L237 HydrophobicContact CB-CD1 4.11Å; L233-L237 HydrophobicContact CB-CG 4.45Å; L233-L237 HydrophobicContact CD2-CD1 4.36Å; L233-L237 WeakPolarHBondContact O-CB 3.38Å; L233-L237 PolarHBondContact O-N 3.32Å; L237-E241 HydrophobicContact CB-CB 4.09Å
238	S	94.1	Very high	95	Very high	55 Å²	55	59.1 Å²	59.1	39%	0.385	28%	0.283	S	S	.	.			trans	-66	156.4	163.4	67.6	0	0	0	0	110.5	E241 Y242	S238-E241 WeakPolarHBondContact CB-OE2 3.4Å; S238-E241 PolarHBondContact N-OE2 2.9Å; S238-E241 PolarHBondContact O-N 3.1Å; S238-E241 VanDerWaalsContact O-N 3.16Å; S238-E241 VanDerWaalsContact OG-CG 3.27Å; S238-E241 WeakPolarHBondContact OG-CG 3.21Å; S238-E241 PolarHBondContact OG-OE2 3.42Å; S238-Y242 WeakPolarHBondContact O-CB 3.07Å; S238-Y242 PolarHBondContact O-N 2.89Å
239	V	94.4	Very high	95	Very high	11 Å²	11	52.7 Å²	52.7	7%	0.067	26%	0.258	C	S	.	.	H	α-helix	trans	-54.9	-44.3	179.3	177.7	0	0	0	0	112.7	E241 Y242 L243 Y285 L286 N289	V239-E241 PolarHBondContact O-N 2.82Å; V239-Y242 PolarHBondContact O-N 2.73Å; V239-L243 HydrophobicContact CG1-CD1 3.99Å; V239-L243 HydrophobicContact CG1-CG 4.22Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.26Å; V239-L243 PolarHBondContact O-N 2.7Å; V239-Y285 HydrophobicContact CG2-CE1 4.21Å; V239-L286 HydrophobicContact CG1-CD2 4Å; V239-N289 HydrophobicContact CG2-CB 3.78Å
240	P	93.9	Very high	95.1	Very high	32 Å²	32	51.8 Å²	51.8	21%	0.208	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-43	176.7	-25.6	36.5	0	0	0	113.7	L243 L244 Q302	P240-L243 PolarHBondContact O-N 2.91Å; P240-L244 WeakPolarHBondContact O-CG 3.35Å; P240-L244 PolarHBondContact O-N 2.69Å; P240-L244 VanDerWaalsContact O-N 3.07Å; P240-Q302 HydrophobicContact CB-CG 4.48Å; P240-Q302 VanDerWaalsContact CG-OE1 3.31Å
241	E	95.5	Very high	95.2	Very high	104 Å²	104	56.6 Å²	56.6	49%	0.486	28%	0.278	S	S	.	.	H	α-helix	trans	-65.9	-40.2	177.3	-69.6	164.9	150.5	0	0	111.5	L237 S238 V239 L244 H245	L237-E241 HydrophobicContact CB-CB 4.09Å; S238-E241 WeakPolarHBondContact CB-OE2 3.4Å; S238-E241 PolarHBondContact N-OE2 2.9Å; S238-E241 PolarHBondContact O-N 3.1Å; S238-E241 VanDerWaalsContact O-N 3.16Å; S238-E241 VanDerWaalsContact OG-CG 3.27Å; S238-E241 WeakPolarHBondContact OG-CG 3.21Å; S238-E241 PolarHBondContact OG-OE2 3.42Å; V239-E241 PolarHBondContact O-N 2.82Å; E241-L244 PolarHBondContact O-N 3.36Å; E241-H245 PolarHBondContact O-N 2.83Å
242	Y	97.4	Very high	95.4	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-45.8	175.5	-179.4	-94.1	0	0	0	111.5	A230 L233 S238 V239 L244 H245 V246 L278 L286	A230-Y242 WeakPolarHBondContact CB-OH 3.33Å; L233-Y242 HydrophobicContact CB-CD2 3.96Å; L233-Y242 HydrophobicContact CB-CE2 4.07Å; S238-Y242 WeakPolarHBondContact O-CB 3.07Å; S238-Y242 PolarHBondContact O-N 2.89Å; V239-Y242 PolarHBondContact O-N 2.73Å; Y242-L244 VanDerWaalsContact C-N 3.33Å; Y242-L244 PolarHBondContact O-N 2.9Å; Y242-H245 WeakPolarHBondContact O-CB 3.34Å; Y242-H245 PolarHBondContact O-N 2.65Å; Y242-H245 VanDerWaalsContact O-N 3.14Å; Y242-V246 HydrophobicContact CD1-CG2 4.03Å; Y242-V246 HydrophobicContact CE1-CG2 3.57Å; Y242-V246 HydrophobicContact CE2-CG2 4.47Å; Y242-V246 WeakPolarHBondContact O-CG2 3.38Å; Y242-V246 PolarHBondContact O-N 3.47Å; Y242-L278 WeakPolarHBondContact CE1-O 3.27Å; Y242-L278 PolarHBondContact OH-O 3.43Å; Y242-L286 HydrophobicContact CD1-CD2 3.61Å; Y242-L286 HydrophobicContact CE1-CD1 4.14Å; Y242-L286 HydrophobicContact CE1-CD2 3.88Å
243	L	96.9	Very high	95.5	Very high	6 Å²	6	54 Å²	54	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-38.7	177.7	-67.6	174.6	0	0	0	112.1	V239 P240 H245 V246 D247 L279 L286 L305 L306 L309	V239-L243 HydrophobicContact CG1-CD1 3.99Å; V239-L243 HydrophobicContact CG1-CG 4.22Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.26Å; V239-L243 PolarHBondContact O-N 2.7Å; P240-L243 PolarHBondContact O-N 2.91Å; L243-H245 VanDerWaalsContact C-N 3.32Å; L243-H245 PolarHBondContact O-N 3.2Å; L243-V246 PolarHBondContact O-N 2.95Å; L243-D247 PolarHBondContact O-N 3.28Å; L243-L279 HydrophobicContact CD2-CD2 4.36Å; L243-L286 HydrophobicContact CD2-CD1 4.26Å; L243-L286 HydrophobicContact CD2-CD2 4.49Å; L243-L305 HydrophobicContact CB-CD2 4Å; L243-L305 HydrophobicContact CB-CG 4.38Å; L243-L306 HydrophobicContact CD1-CB 4.15Å; L243-L306 HydrophobicContact CD1-CD1 3.78Å; L243-L309 HydrophobicContact CB-CD1 3.88Å; L243-L309 HydrophobicContact CD2-CD1 3.81Å; L243-L309 HydrophobicContact CG-CD1 4.4Å; L243-L309 WeakPolarHBondContact O-CD1 3.4Å
244	L	97.1	Very high	95.7	Very high	107 Å²	107	54.5 Å²	54.5	56%	0.56	26%	0.263	S	S	*	.	H	α-helix	trans	-62.2	-40.3	172.9	-74.4	169.1	0	0	0	111.9	P240 E241 Y242 K248 L305	P240-L244 WeakPolarHBondContact O-CG 3.35Å; P240-L244 PolarHBondContact O-N 2.69Å; P240-L244 VanDerWaalsContact O-N 3.07Å; E241-L244 PolarHBondContact O-N 3.36Å; Y242-L244 VanDerWaalsContact C-N 3.33Å; Y242-L244 PolarHBondContact O-N 2.9Å; L244-K248 WeakPolarHBondContact O-CB 3.17Å; L244-K248 PolarHBondContact O-N 3.05Å; L244-L305 HydrophobicContact CD2-CD2 3.65Å; L244-L305 HydrophobicContact CG-CD2 3.9Å
245	H	96.5	Very high	96	Very high	39 Å²	39	56.8 Å²	56.8	18%	0.181	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-44.5	174.2	177.2	77.7	0	0	0	111.9	E229 L233 E241 Y242 L243 K248 R249	E229-H245 IonicContact OE2-CE1 2.71Å; E229-H245 IonicContact OE2-NE2 2.91Å; E229-H245 PolarHBondContact OE2-NE2 3.23Å; L233-H245 VanDerWaalsContact CD1-CD2 3.48Å; L233-H245 WeakPolarHBondContact CD1-CD2 3.36Å; L233-H245 VanDerWaalsContact CD1-NE2 3.26Å; L233-H245 WeakPolarHBondContact CD1-NE2 3.43Å; E241-H245 PolarHBondContact O-N 2.83Å; Y242-H245 WeakPolarHBondContact O-CB 3.34Å; Y242-H245 PolarHBondContact O-N 2.65Å; Y242-H245 VanDerWaalsContact O-N 3.14Å; L243-H245 VanDerWaalsContact C-N 3.32Å; L243-H245 PolarHBondContact O-N 3.2Å; H245-K248 WeakPolarHBondContact O-CB 3.49Å; H245-K248 PolarHBondContact O-N 2.95Å; H245-R249 PolarHBondContact O-N 3.38Å
246	V	97.7	Very high	96.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-45.1	178.2	175.3	0	0	0	0	111.3	Y242 L243 K248 R249 I250 L278 L279 L309	Y242-V246 HydrophobicContact CD1-CG2 4.03Å; Y242-V246 HydrophobicContact CE1-CG2 3.57Å; Y242-V246 HydrophobicContact CE2-CG2 4.47Å; Y242-V246 WeakPolarHBondContact O-CG2 3.38Å; Y242-V246 PolarHBondContact O-N 3.47Å; L243-V246 PolarHBondContact O-N 2.95Å; V246-K248 PolarHBondContact O-N 3.32Å; V246-R249 PolarHBondContact O-N 3.41Å; V246-I250 HydrophobicContact CG1-CD1 4.09Å; V246-I250 WeakPolarHBondContact O-CG1 3.14Å; V246-I250 PolarHBondContact O-N 3.39Å; V246-L278 HydrophobicContact CG1-CB 4Å; V246-L278 HydrophobicContact CG1-CD1 4.1Å; V246-L278 HydrophobicContact CG2-CB 3.95Å; V246-L278 HydrophobicContact CG2-CD1 4.38Å; V246-L279 HydrophobicContact CG1-CD1 4.24Å; V246-L279 HydrophobicContact CG1-CD2 3.87Å; V246-L279 HydrophobicContact CG1-CG 3.95Å; V246-L309 HydrophobicContact CG1-CD2 4.28Å
247	D	97.7	Very high	96.4	Very high	42 Å²	42	41.3 Å²	41.3	23%	0.225	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-45.2	176.9	-171.8	58.7	0	0	0	111.7	L243 R249 I250 I251 L305 L309	L243-D247 PolarHBondContact O-N 3.28Å; D247-R249 PolarHBondContact O-N 3.04Å; D247-I250 PolarHBondContact O-N 2.99Å; D247-I251 WeakPolarHBondContact O-CG1 2.88Å; D247-I251 PolarHBondContact O-N 2.89Å; D247-L305 HydrophobicContact CB-CD1 3.83Å; D247-L309 HydrophobicContact CB-CD1 4.44Å; D247-L309 HydrophobicContact CB-CD2 4.24Å
248	K	97.3	Very high	96.5	Very high	119 Å²	119	44.5 Å²	44.5	52%	0.517	23%	0.231	S	C	.	.	H	α-helix	trans	-55.8	-48.1	172.9	177.6	-179.1	168.3	-177	0	111.7	L244 H245 V246 I250 I251 E252	L244-K248 WeakPolarHBondContact O-CB 3.17Å; L244-K248 PolarHBondContact O-N 3.05Å; H245-K248 WeakPolarHBondContact O-CB 3.49Å; H245-K248 PolarHBondContact O-N 2.95Å; V246-K248 PolarHBondContact O-N 3.32Å; K248-I250 VanDerWaalsContact C-N 3.32Å; K248-I250 PolarHBondContact O-N 3.4Å; K248-I251 PolarHBondContact O-N 3.46Å; K248-E252 WeakPolarHBondContact CE-OE1 3.16Å; K248-E252 HydrophobicContact CG-CG 4.38Å; K248-E252 IonicContact NZ-OE1 3.43Å; K248-E252 WeakPolarHBondContact O-CG 3.47Å; K248-E252 PolarHBondContact O-N 2.86Å
249	R	97.1	Very high	96.6	Very high	25 Å²	25	43.7 Å²	43.7	9%	0.094	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-40.7	178.2	-78	-57.5	-161.7	-163.4	3	112.3	R187 Y226 E229 H245 V246 D247 E252 E253 L274 L278	R187-R249 PolarHBondContact O-NH1 3.03Å; R187-R249 PolarHBondContact O-NH2 2.83Å; Y226-R249 HydrophobicContact CE1-CB 4.39Å; Y226-R249 HydrophobicContact CE1-CG 4.25Å; E229-R249 IonicContact OE1-CZ 2.66Å; E229-R249 IonicContact OE1-NE 3.69Å; E229-R249 PolarHBondContact OE1-NE 2.69Å; E229-R249 IonicContact OE1-NH2 2.82Å; E229-R249 PolarHBondContact OE1-NH2 3.09Å; E229-R249 IonicContact OE2-CZ 3.76Å; E229-R249 IonicContact OE2-NE 2.66Å; E229-R249 PolarHBondContact OE2-NE 3.35Å; E229-R249 VanDerWaalsContact OE2-NE 3.1Å; E229-R249 IonicContact OE2-NH2 3.58Å; H245-R249 PolarHBondContact O-N 3.38Å; V246-R249 PolarHBondContact O-N 3.41Å; D247-R249 PolarHBondContact O-N 3.04Å; R249-E252 WeakPolarHBondContact CD-OE2 3.34Å; R249-E252 IonicContact CZ-OE2 3.04Å; R249-E252 IonicContact NH1-OE2 3.39Å; R249-E252 PolarHBondContact NH1-OE2 3.24Å; R249-E252 PolarHBondContact O-N 3.49Å; R249-E253 WeakPolarHBondContact O-CG 3.38Å; R249-E253 PolarHBondContact O-N 2.89Å; R249-L274 HydrophobicContact CB-CD2 4.49Å; R249-L278 HydrophobicContact CB-CD1 4.37Å
250	I	97.5	Very high	96.7	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-45.6	176	-69.7	169.3	0	0	0	110.8	V246 D247 K248 E253 E254 I271 L274 L309	V246-I250 HydrophobicContact CG1-CD1 4.09Å; V246-I250 WeakPolarHBondContact O-CG1 3.14Å; V246-I250 PolarHBondContact O-N 3.39Å; D247-I250 PolarHBondContact O-N 2.99Å; K248-I250 VanDerWaalsContact C-N 3.32Å; K248-I250 PolarHBondContact O-N 3.4Å; I250-E253 PolarHBondContact O-N 3.33Å; I250-E254 WeakPolarHBondContact O-CG 3.31Å; I250-E254 PolarHBondContact O-N 3.3Å; I250-I271 HydrophobicContact CG2-CD1 4.49Å; I250-L274 HydrophobicContact CG1-CD2 3.94Å; I250-L309 HydrophobicContact CD1-CD2 3.76Å
251	I	97.5	Very high	96.8	Very high	102 Å²	102	42.8 Å²	42.8	52%	0.523	22%	0.216	S	C	.	.	H	α-helix	trans	-62.4	-45	178.6	-66.8	165.6	0	0	0	110.9	D247 K248 E253 E254 D255	D247-I251 WeakPolarHBondContact O-CG1 2.88Å; D247-I251 PolarHBondContact O-N 2.89Å; K248-I251 PolarHBondContact O-N 3.46Å; I251-E253 VanDerWaalsContact C-N 3.34Å; I251-E253 PolarHBondContact O-N 3.28Å; I251-E254 PolarHBondContact O-N 2.82Å; I251-D255 PolarHBondContact O-N 3.44Å
252	E	96.8	Very high	96.7	Very high	45 Å²	45	39.5 Å²	39.5	21%	0.21	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-40.1	178.2	-69.4	176.3	172.6	0	0	112.3	K248 R249 D255 R256	K248-E252 WeakPolarHBondContact CE-OE1 3.16Å; K248-E252 HydrophobicContact CG-CG 4.38Å; K248-E252 IonicContact NZ-OE1 3.43Å; K248-E252 WeakPolarHBondContact O-CG 3.47Å; K248-E252 PolarHBondContact O-N 2.86Å; R249-E252 WeakPolarHBondContact CD-OE2 3.34Å; R249-E252 IonicContact CZ-OE2 3.04Å; R249-E252 IonicContact NH1-OE2 3.39Å; R249-E252 PolarHBondContact NH1-OE2 3.24Å; R249-E252 PolarHBondContact O-N 3.49Å; E252-D255 WeakPolarHBondContact O-CB 3.42Å; E252-D255 PolarHBondContact O-N 2.99Å; E252-R256 WeakPolarHBondContact O-CG 3.25Å; E252-R256 PolarHBondContact O-N 3.32Å; E252-R256 IonicContact OE2-NH1 2.92Å
253	E	97.5	Very high	96.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-71.7	-34.7	177	-68.2	-57.3	130.5	0	0	112.8	R187 Y226 R249 I250 I251 D255 R256 L257 L270 L274	R187-E253 IonicContact CZ-OE1 2.67Å; R187-E253 IonicContact CZ-OE2 3.22Å; R187-E253 IonicContact NE-OE1 3.74Å; R187-E253 PolarHBondContact NE-OE1 3.37Å; R187-E253 IonicContact NE-OE2 3.04Å; R187-E253 VanDerWaalsContact NH2-CD 3.34Å; R187-E253 IonicContact NH2-OE1 2.8Å; R187-E253 PolarHBondContact NH2-OE1 2.95Å; R187-E253 IonicContact NH2-OE2 2.67Å; R187-E253 PolarHBondContact NH2-OE2 2.98Å; Y226-E253 WeakPolarHBondContact OH-CG 3.45Å; Y226-E253 PolarHBondContact OH-OE1 3.33Å; R249-E253 WeakPolarHBondContact O-CG 3.38Å; R249-E253 PolarHBondContact O-N 2.89Å; I250-E253 PolarHBondContact O-N 3.33Å; I251-E253 VanDerWaalsContact C-N 3.34Å; I251-E253 PolarHBondContact O-N 3.28Å; E253-D255 VanDerWaalsContact C-N 3.31Å; E253-R256 PolarHBondContact O-N 2.98Å; E253-R256 IonicContact OE1-CZ 3.6Å; E253-R256 IonicContact OE1-NE 3.53Å; E253-R256 IonicContact OE1-NH1 3.57Å; E253-R256 PolarHBondContact OE1-NH1 3.34Å; E253-L257 WeakPolarHBondContact O-CB 3.45Å; E253-L257 VanDerWaalsContact O-CG 3.26Å; E253-L257 WeakPolarHBondContact O-CG 3.47Å; E253-L257 PolarHBondContact O-N 3.14Å; E253-L270 HydrophobicContact CB-CD2 4.14Å; E253-L270 WeakPolarHBondContact OE2-CD2 3.4Å; E253-L274 HydrophobicContact CB-CD2 4.26Å; E253-L274 HydrophobicContact CG-CD1 4.18Å; E253-L274 HydrophobicContact CG-CD2 3.83Å
254	E	97.3	Very high	96.4	Very high	43 Å²	43	48.5 Å²	48.5	20%	0.201	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-38.3	170.9	-69.5	-83.3	-160.8	0	0	111.4	I250 I251 L257 V258 R267 I271	I250-E254 WeakPolarHBondContact O-CG 3.31Å; I250-E254 PolarHBondContact O-N 3.3Å; I251-E254 PolarHBondContact O-N 2.82Å; E254-L257 WeakPolarHBondContact O-CB 3.07Å; E254-L257 PolarHBondContact O-N 3.32Å; E254-V258 WeakPolarHBondContact O-CG2 3.25Å; E254-V258 PolarHBondContact O-N 2.84Å; E254-V258 VanDerWaalsContact O-N 3.14Å; E254-R267 IonicContact OE1-CZ 3.64Å; E254-R267 IonicContact OE1-NE 3.8Å; E254-R267 PolarHBondContact OE1-NE 2.92Å; E254-R267 IonicContact OE1-NH2 2.69Å; E254-R267 PolarHBondContact OE1-NH2 3.2Å; E254-R267 IonicContact OE2-CZ 2.9Å; E254-R267 IonicContact OE2-NE 3.89Å; E254-R267 PolarHBondContact OE2-NE 2.98Å; E254-R267 IonicContact OE2-NH2 3.8Å; E254-I271 HydrophobicContact CG-CD1 4.16Å
255	D	96.6	Very high	96.2	Very high	66 Å²	66	45.3 Å²	45.3	35%	0.353	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-46.9	172.7	178	66.8	0	0	0	111.5	R194 I251 E252 E253 L257 V258 V259	R194-D255 IonicContact CZ-OD2 2.76Å; R194-D255 VanDerWaalsContact CZ-OD2 3.23Å; R194-D255 IonicContact NH1-OD1 3.64Å; R194-D255 IonicContact NH1-OD2 3.53Å; R194-D255 PolarHBondContact NH1-OD2 2.72Å; R194-D255 IonicContact NH2-OD2 3.62Å; R194-D255 PolarHBondContact NH2-OD2 3.29Å; I251-D255 PolarHBondContact O-N 3.44Å; E252-D255 WeakPolarHBondContact O-CB 3.42Å; E252-D255 PolarHBondContact O-N 2.99Å; E253-D255 VanDerWaalsContact C-N 3.31Å; D255-L257 VanDerWaalsContact C-N 3.29Å; D255-L257 PolarHBondContact O-N 2.93Å; D255-V258 PolarHBondContact O-N 3.09Å; D255-V258 VanDerWaalsContact O-N 3.09Å; D255-V259 VanDerWaalsContact O-CG2 3.25Å; D255-V259 WeakPolarHBondContact O-CG2 3.37Å; D255-V259 PolarHBondContact O-N 3.45Å
256	R	95.8	Very high	96.3	Very high	8 Å²	8	43.4 Å²	43.4	3%	0.03	23%	0.234	C	C	.	.	H	α-helix	trans	-59.5	-39.7	175.7	-68.5	175.5	179.4	100.9	15.2	112.4	E186 E252 E253 V258 V259 Y260 L261	E186-R256 PolarHBondContact O-NH2 3.34Å; E186-R256 IonicContact OE2-CZ 3.58Å; E186-R256 IonicContact OE2-NE 3.41Å; E186-R256 PolarHBondContact OE2-NE 2.9Å; E186-R256 IonicContact OE2-NH2 2.7Å; E252-R256 WeakPolarHBondContact O-CG 3.25Å; E252-R256 PolarHBondContact O-N 3.32Å; E252-R256 IonicContact OE2-NH1 2.92Å; E253-R256 PolarHBondContact O-N 2.98Å; E253-R256 IonicContact OE1-CZ 3.6Å; E253-R256 IonicContact OE1-NE 3.53Å; E253-R256 IonicContact OE1-NH1 3.57Å; E253-R256 PolarHBondContact OE1-NH1 3.34Å; R256-V258 VanDerWaalsContact C-N 3.28Å; R256-V258 PolarHBondContact O-N 3.36Å; R256-V259 PolarHBondContact O-N 3.35Å; R256-Y260 HydrophobicContact CB-CE1 4.23Å; R256-Y260 HydrophobicContact CB-CE2 4.29Å; R256-Y260 WeakPolarHBondContact CD-OH 3.47Å; R256-Y260 HydrophobicContact CG-CE1 4.04Å; R256-Y260 VanDerWaalsContact CG-OH 3.28Å; R256-Y260 WeakPolarHBondContact CG-OH 3.26Å; R256-Y260 PolarHBondContact O-N 2.92Å; R256-Y260 VanDerWaalsContact O-N 3.13Å; R256-L261 HydrophobicContact CB-CD1 4.17Å; R256-L261 PolarHBondContact O-N 3.43Å
257	L	96.5	Very high	96.3	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-59.1	-38.2	175.3	-77.4	165.2	0	0	0	112.6	E253 E254 D255 L261 T266 R267 L270 I271	E253-L257 WeakPolarHBondContact O-CB 3.45Å; E253-L257 VanDerWaalsContact O-CG 3.26Å; E253-L257 WeakPolarHBondContact O-CG 3.47Å; E253-L257 PolarHBondContact O-N 3.14Å; E254-L257 WeakPolarHBondContact O-CB 3.07Å; E254-L257 PolarHBondContact O-N 3.32Å; D255-L257 VanDerWaalsContact C-N 3.29Å; D255-L257 PolarHBondContact O-N 2.93Å; L257-L261 HydrophobicContact CD2-CB 4.22Å; L257-L261 HydrophobicContact CD2-CD1 4Å; L257-L261 HydrophobicContact CG-CD1 4.25Å; L257-T266 HydrophobicContact CD2-CG2 3.78Å; L257-R267 HydrophobicContact CD1-CB 3.91Å; L257-R267 HydrophobicContact CD1-CG 3.82Å; L257-R267 HydrophobicContact CD2-CB 4.14Å; L257-L270 HydrophobicContact CD1-CD2 4.15Å; L257-L270 HydrophobicContact CD2-CD2 4.14Å; L257-L270 HydrophobicContact CG-CD2 4.05Å; L257-I271 HydrophobicContact CD1-CD1 4.48Å; L257-I271 HydrophobicContact CD1-CG1 4.46Å
258	V	95.2	Very high	96.2	Very high	123 Å²	123	51.9 Å²	51.9	75%	0.745	28%	0.277	S	S	*	.	H	α-helix	trans	-77.9	-38.7	178.7	172.8	0	0	0	0	111.9	E254 D255 R256	E254-V258 WeakPolarHBondContact O-CG2 3.25Å; E254-V258 PolarHBondContact O-N 2.84Å; E254-V258 VanDerWaalsContact O-N 3.14Å; D255-V258 PolarHBondContact O-N 3.09Å; D255-V258 VanDerWaalsContact O-N 3.09Å; R256-V258 VanDerWaalsContact C-N 3.28Å; R256-V258 PolarHBondContact O-N 3.36Å
259	V	95.6	Very high	96.2	Very high	38 Å²	38	50.2 Å²	50.2	23%	0.23	27%	0.274	C	S	.	.	H	α-helix	trans	-78.4	-49.2	-169.8	175.6	0	0	0	0	112.7	R194 R198 D255 R256	R194-V259 HydrophobicContact CB-CG1 4.03Å; R194-V259 HydrophobicContact CG-CG1 4.42Å; R198-V259 WeakPolarHBondContact CD-O 3.25Å; D255-V259 VanDerWaalsContact O-CG2 3.25Å; D255-V259 WeakPolarHBondContact O-CG2 3.37Å; D255-V259 PolarHBondContact O-N 3.45Å; R256-V259 PolarHBondContact O-N 3.35Å
260	Y	96.2	Very high	96.3	Very high	8 Å²	8	49 Å²	49	3%	0.031	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141	-14.9	-169.1	60.2	-111.1	0	0	0	116.8	I183 E186 R194 L197 I201 R256	I183-Y260 HydrophobicContact CD1-CE2 4.18Å; I183-Y260 HydrophobicContact CG1-CE2 4.03Å; E186-Y260 WeakPolarHBondContact OE2-CE1 3.43Å; E186-Y260 PolarHBondContact OE2-OH 3.3Å; R194-Y260 HydrophobicContact CG-CD1 4.41Å; R194-Y260 HydrophobicContact CG-CE1 4.45Å; L197-Y260 HydrophobicContact CB-CG 4.28Å; L197-Y260 HydrophobicContact CD1-CE1 4.3Å; L197-Y260 HydrophobicContact CD1-CE2 4.28Å; I201-Y260 WeakPolarHBondContact CB-O 3.15Å; I201-Y260 HydrophobicContact CD1-CD2 3.56Å; I201-Y260 HydrophobicContact CD1-CE2 4.28Å; I201-Y260 HydrophobicContact CD1-CG 4.41Å; I201-Y260 WeakPolarHBondContact CD1-O 3.41Å; I201-Y260 WeakPolarHBondContact CG2-O 3.5Å; R256-Y260 HydrophobicContact CB-CE1 4.23Å; R256-Y260 HydrophobicContact CB-CE2 4.29Å; R256-Y260 WeakPolarHBondContact CD-OH 3.47Å; R256-Y260 HydrophobicContact CG-CE1 4.04Å; R256-Y260 VanDerWaalsContact CG-OH 3.28Å; R256-Y260 WeakPolarHBondContact CG-OH 3.26Å; R256-Y260 PolarHBondContact O-N 2.92Å; R256-Y260 VanDerWaalsContact O-N 3.13Å
261	L	96.6	Very high	96.3	Very high	15 Å²	15	50 Å²	50	8%	0.079	27%	0.274	C	S	.	.	S	Bend	trans	-87.1	163.4	176.6	-58.4	166.6	0	0	0	111.8	I201 F214 F218 R256 L257 A263 T266 L270	I201-L261 HydrophobicContact CD1-CD2 4.08Å; F214-L261 HydrophobicContact CE1-CD2 3.91Å; F214-L261 HydrophobicContact CZ-CD2 3.95Å; F218-L261 HydrophobicContact CE1-CD1 4.24Å; F218-L261 HydrophobicContact CZ-CD1 3.94Å; F218-L261 HydrophobicContact CZ-CD2 4.4Å; R256-L261 HydrophobicContact CB-CD1 4.17Å; R256-L261 PolarHBondContact O-N 3.43Å; L257-L261 HydrophobicContact CD2-CB 4.22Å; L257-L261 HydrophobicContact CD2-CD1 4Å; L257-L261 HydrophobicContact CG-CD1 4.25Å; L261-A263 PolarHBondContact O-N 3.14Å; L261-T266 HydrophobicContact CD1-CG2 4.37Å; L261-L270 HydrophobicContact CD1-CD2 4.33Å
262	D	94.9	Very high	96.3	Very high	36 Å²	36	48.6 Å²	48.6	19%	0.193	27%	0.274	C	S	.	.			trans	-82.2	99.5	168.5	178.3	46.9	0	0	0	110.5	V205 Y210 N264 S265 T266	V205-D262 HydrophobicContact CG2-CB 4.03Å; Y210-D262 HydrophobicContact CD1-CB 4.03Å; Y210-D262 HydrophobicContact CE1-CB 3.69Å; Y210-D262 HydrophobicContact CE2-CB 4.22Å; Y210-D262 HydrophobicContact CG-CB 4.44Å; Y210-D262 PolarHBondContact OH-N 3.12Å; D262-N264 VanDerWaalsContact C-N 3.26Å; D262-N264 PolarHBondContact O-N 3.19Å; D262-S265 PolarHBondContact O-N 3.4Å; D262-S265 VanDerWaalsContact OD2-CB 3.31Å; D262-S265 WeakPolarHBondContact OD2-CB 3.48Å; D262-S265 PolarHBondContact OD2-N 3.22Å; D262-S265 PolarHBondContact OD2-OG 3.41Å; D262-T266 WeakPolarHBondContact O-CB 3.47Å; D262-T266 PolarHBondContact O-N 3.49Å; D262-T266 PolarHBondContact O-OG1 3.41Å
263	A	93.5	Very high	96.3	Very high	42 Å²	42	47.6 Å²	47.6	35%	0.347	27%	0.271	S	S	.	.	H	α-helix	trans	-58.9	-34.9	-174.4	0	0	0	0	0	113.6	L261 S265 R267	L261-A263 PolarHBondContact O-N 3.14Å; A263-S265 PolarHBondContact O-N 2.89Å; A263-R267 WeakPolarHBondContact O-CB 3.2Å; A263-R267 PolarHBondContact O-N 2.99Å
264	N	93.8	Very high	96.3	Very high	154 Å²	154	47.7 Å²	47.7	82%	0.824	27%	0.271	S	S	*	.	H	α-helix	trans	-62.4	-45	-176.1	-70.1	-32.4	0	0	0	112.2	D262	D262-N264 VanDerWaalsContact C-N 3.26Å; D262-N264 PolarHBondContact O-N 3.19Å
265	S	93.5	Very high	96.3	Very high	40 Å²	40	46 Å²	46	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-90.9	-23	-176.1	-44	0	0	0	0	112.2	D211 D262 A263	D211-S265 WeakPolarHBondContact OD1-CB 3.41Å; D211-S265 PolarHBondContact OD1-OG 3.29Å; D262-S265 PolarHBondContact O-N 3.4Å; D262-S265 VanDerWaalsContact OD2-CB 3.31Å; D262-S265 WeakPolarHBondContact OD2-CB 3.48Å; D262-S265 PolarHBondContact OD2-N 3.22Å; D262-S265 PolarHBondContact OD2-OG 3.41Å; A263-S265 PolarHBondContact O-N 2.89Å
266	T	97.4	Very high	96.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-100.2	-39.1	-169.4	-44.7	0	0	0	0	113.8	Y210 L215 F218 L257 L261 D262 S268 L269 L270	Y210-T266 VanDerWaalsContact CE1-OG1 3.26Å; Y210-T266 WeakPolarHBondContact CE1-OG1 3.19Å; Y210-T266 PolarHBondContact OH-OG1 3.01Å; L215-T266 HydrophobicContact CD1-CG2 3.88Å; F218-T266 HydrophobicContact CD1-CG2 4.21Å; F218-T266 HydrophobicContact CE1-CG2 3.74Å; L257-T266 HydrophobicContact CD2-CG2 3.78Å; L261-T266 HydrophobicContact CD1-CG2 4.37Å; D262-T266 WeakPolarHBondContact O-CB 3.47Å; D262-T266 PolarHBondContact O-N 3.49Å; D262-T266 PolarHBondContact O-OG1 3.41Å; T266-S268 PolarHBondContact O-N 3.34Å; T266-L269 PolarHBondContact O-N 3.37Å; T266-L270 HydrophobicContact CG2-CB 4.14Å; T266-L270 HydrophobicContact CG2-CD2 4.35Å; T266-L270 WeakPolarHBondContact O-CB 3.47Å; T266-L270 PolarHBondContact O-N 3.45Å
267	R	97.3	Very high	96.4	Very high	125 Å²	125	45.6 Å²	45.6	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-56.9	-51.2	-164.2	178.2	168.8	-171.6	-91	-4.6	113.1	E254 L257 A263 L269 I271	E254-R267 IonicContact OE1-CZ 3.64Å; E254-R267 IonicContact OE1-NE 3.8Å; E254-R267 PolarHBondContact OE1-NE 2.92Å; E254-R267 IonicContact OE1-NH2 2.69Å; E254-R267 PolarHBondContact OE1-NH2 3.2Å; E254-R267 IonicContact OE2-CZ 2.9Å; E254-R267 IonicContact OE2-NE 3.89Å; E254-R267 PolarHBondContact OE2-NE 2.98Å; E254-R267 IonicContact OE2-NH2 3.8Å; L257-R267 HydrophobicContact CD1-CB 3.91Å; L257-R267 HydrophobicContact CD1-CG 3.82Å; L257-R267 HydrophobicContact CD2-CB 4.14Å; A263-R267 WeakPolarHBondContact O-CB 3.2Å; A263-R267 PolarHBondContact O-N 2.99Å; R267-L269 PolarHBondContact O-N 2.98Å; R267-I271 HydrophobicContact CG-CG1 4.31Å; R267-I271 WeakPolarHBondContact O-CB 3.4Å; R267-I271 VanDerWaalsContact O-CG1 3.25Å; R267-I271 WeakPolarHBondContact O-CG1 3.33Å; R267-I271 PolarHBondContact O-N 3.3Å
268	S	96.8	Very high	96.4	Very high	96 Å²	96	45.5 Å²	45.5	67%	0.671	27%	0.265	S	S	*	.	H	α-helix	trans	-60.8	-46.6	-178.1	-173.6	0	0	0	0	111.8	T266 S272	T266-S268 PolarHBondContact O-N 3.34Å; S268-S272 WeakPolarHBondContact O-CB 3.39Å; S268-S272 PolarHBondContact O-N 3.03Å
269	L	97.7	Very high	96.5	Very high	84 Å²	84	39.7 Å²	39.7	44%	0.44	23%	0.23	S	C	.	.	H	α-helix	trans	-68.4	-43.4	-177.3	-62.3	174.7	0	0	0	112	L215 L219 T266 R267 T273	L215-L269 HydrophobicContact CD2-CD1 4.07Å; L219-L269 HydrophobicContact CD1-CB 3.71Å; L219-L269 HydrophobicContact CD1-CD1 3.81Å; L219-L269 HydrophobicContact CD1-CG 4.35Å; L219-L269 HydrophobicContact CD2-CB 4Å; T266-L269 PolarHBondContact O-N 3.37Å; R267-L269 PolarHBondContact O-N 2.98Å; L269-T273 WeakPolarHBondContact O-CB 3.44Å; L269-T273 PolarHBondContact O-N 2.87Å; L269-T273 PolarHBondContact O-OG1 2.66Å
270	L	97.9	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-52.2	179.4	178	61.1	0	0	0	111	F218 L219 E253 L257 L261 T266 S272 T273 L274	F218-L270 HydrophobicContact CE1-CD1 3.94Å; F218-L270 HydrophobicContact CE1-CD2 4.02Å; F218-L270 HydrophobicContact CE1-CG 4.42Å; F218-L270 HydrophobicContact CZ-CD1 3.98Å; F218-L270 HydrophobicContact CZ-CD2 4.01Å; L219-L270 HydrophobicContact CD2-CB 4.17Å; L219-L270 HydrophobicContact CD2-CD1 4.5Å; E253-L270 HydrophobicContact CB-CD2 4.14Å; E253-L270 WeakPolarHBondContact OE2-CD2 3.4Å; L257-L270 HydrophobicContact CD1-CD2 4.15Å; L257-L270 HydrophobicContact CD2-CD2 4.14Å; L257-L270 HydrophobicContact CG-CD2 4.05Å; L261-L270 HydrophobicContact CD1-CD2 4.33Å; T266-L270 HydrophobicContact CG2-CB 4.14Å; T266-L270 HydrophobicContact CG2-CD2 4.35Å; T266-L270 WeakPolarHBondContact O-CB 3.47Å; T266-L270 PolarHBondContact O-N 3.45Å; L270-S272 VanDerWaalsContact C-N 3.28Å; L270-S272 PolarHBondContact O-N 3.16Å; L270-T273 WeakPolarHBondContact O-CA 3.48Å; L270-T273 VanDerWaalsContact O-CB 3.27Å; L270-T273 WeakPolarHBondContact O-CB 3.39Å; L270-T273 PolarHBondContact O-N 2.97Å; L270-L274 HydrophobicContact CD1-CD1 3.68Å; L270-L274 HydrophobicContact CG-CD1 3.94Å; L270-L274 WeakPolarHBondContact O-CD1 3.45Å; L270-L274 PolarHBondContact O-N 3.02Å
271	I	97.3	Very high	96.4	Very high	21 Å²	21	45.4 Å²	45.4	11%	0.108	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-39	179.3	-62	-59.3	0	0	0	110.7	I250 E254 L257 R267 T273 L274 V275	I250-I271 HydrophobicContact CG2-CD1 4.49Å; E254-I271 HydrophobicContact CG-CD1 4.16Å; L257-I271 HydrophobicContact CD1-CD1 4.48Å; L257-I271 HydrophobicContact CD1-CG1 4.46Å; R267-I271 HydrophobicContact CG-CG1 4.31Å; R267-I271 WeakPolarHBondContact O-CB 3.4Å; R267-I271 VanDerWaalsContact O-CG1 3.25Å; R267-I271 WeakPolarHBondContact O-CG1 3.33Å; R267-I271 PolarHBondContact O-N 3.3Å; I271-T273 VanDerWaalsContact C-N 3.26Å; I271-T273 PolarHBondContact O-N 3.36Å; I271-L274 PolarHBondContact O-N 2.82Å; I271-V275 HydrophobicContact CG2-CG2 4.25Å; I271-V275 WeakPolarHBondContact O-CB 3.34Å; I271-V275 VanDerWaalsContact O-CG2 3.25Å; I271-V275 WeakPolarHBondContact O-CG2 3.2Å; I271-V275 PolarHBondContact O-N 3.09Å
272	S	97.1	Very high	96.2	Very high	74 Å²	74	45.7 Å²	45.7	52%	0.517	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-34.6	172.8	-173.2	0	0	0	0	112.5	S268 L270 S276	S268-S272 WeakPolarHBondContact O-CB 3.39Å; S268-S272 PolarHBondContact O-N 3.03Å; L270-S272 VanDerWaalsContact C-N 3.28Å; L270-S272 PolarHBondContact O-N 3.16Å; S272-S276 VanDerWaalsContact O-CB 3.25Å; S272-S276 WeakPolarHBondContact O-CB 3.49Å; S272-S276 PolarHBondContact O-N 2.81Å
273	T	97.5	Very high	96.2	Very high	24 Å²	24	44.1 Å²	44.1	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-66.4	-46.3	176.2	-58	0	0	0	0	110.5	Q223 L269 L270 I271 V275 S276 E277	Q223-T273 HydrophobicContact CB-CG2 3.7Å; Q223-T273 HydrophobicContact CG-CG2 4.09Å; L269-T273 WeakPolarHBondContact O-CB 3.44Å; L269-T273 PolarHBondContact O-N 2.87Å; L269-T273 PolarHBondContact O-OG1 2.66Å; L270-T273 WeakPolarHBondContact O-CA 3.48Å; L270-T273 VanDerWaalsContact O-CB 3.27Å; L270-T273 WeakPolarHBondContact O-CB 3.39Å; L270-T273 PolarHBondContact O-N 2.97Å; I271-T273 VanDerWaalsContact C-N 3.26Å; I271-T273 PolarHBondContact O-N 3.36Å; T273-V275 PolarHBondContact O-N 2.7Å; T273-S276 PolarHBondContact O-N 2.83Å; T273-E277 WeakPolarHBondContact O-CG 3.45Å; T273-E277 PolarHBondContact O-N 2.89Å
274	L	97.7	Very high	96.2	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-48	174.9	-83.7	77.3	0	0	0	111.1	Y226 R249 I250 E253 L270 I271 S276 E277 L278	Y226-L274 HydrophobicContact CD2-CD1 3.78Å; Y226-L274 HydrophobicContact CD2-CG 3.8Å; Y226-L274 HydrophobicContact CE1-CG 4.38Å; Y226-L274 HydrophobicContact CE2-CD1 3.3Å; Y226-L274 HydrophobicContact CE2-CD2 4.29Å; Y226-L274 HydrophobicContact CE2-CG 3.56Å; Y226-L274 HydrophobicContact CG-CG 4.33Å; R249-L274 HydrophobicContact CB-CD2 4.49Å; I250-L274 HydrophobicContact CG1-CD2 3.94Å; E253-L274 HydrophobicContact CB-CD2 4.26Å; E253-L274 HydrophobicContact CG-CD1 4.18Å; E253-L274 HydrophobicContact CG-CD2 3.83Å; L270-L274 HydrophobicContact CD1-CD1 3.68Å; L270-L274 HydrophobicContact CG-CD1 3.94Å; L270-L274 WeakPolarHBondContact O-CD1 3.45Å; L270-L274 PolarHBondContact O-N 3.02Å; I271-L274 PolarHBondContact O-N 2.82Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-S276 PolarHBondContact O-N 3.28Å; L274-E277 PolarHBondContact O-N 3.26Å; L274-L278 HydrophobicContact CB-CD1 4.25Å; L274-L278 HydrophobicContact CD2-CD1 4.4Å; L274-L278 HydrophobicContact CG-CD1 4.23Å; L274-L278 WeakPolarHBondContact O-CB 3.37Å; L274-L278 WeakPolarHBondContact O-CG 3.5Å; L274-L278 PolarHBondContact O-N 3.27Å
275	V	97.5	Very high	96.2	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.055	23%	0.231	C	C	.	.	I	π-helix	trans	-62.4	-40.4	179.6	170.5	0	0	0	0	111.3	I271 T273 L279 T280 R312 V313	I271-V275 HydrophobicContact CG2-CG2 4.25Å; I271-V275 WeakPolarHBondContact O-CB 3.34Å; I271-V275 VanDerWaalsContact O-CG2 3.25Å; I271-V275 WeakPolarHBondContact O-CG2 3.2Å; I271-V275 PolarHBondContact O-N 3.09Å; T273-V275 PolarHBondContact O-N 2.7Å; V275-L279 HydrophobicContact CG2-CD1 4.49Å; V275-L279 WeakPolarHBondContact O-CB 3.48Å; V275-L279 PolarHBondContact O-N 3.39Å; V275-T280 WeakPolarHBondContact O-CB 3.33Å; V275-T280 PolarHBondContact O-N 3.18Å; V275-T280 PolarHBondContact O-OG1 3.45Å; V275-R312 HydrophobicContact CG1-CB 4.4Å; V275-R312 WeakPolarHBondContact CG1-O 3.33Å; V275-R312 HydrophobicContact CG2-CB 3.82Å; V275-V313 HydrophobicContact CG1-CB 4.43Å; V275-V313 HydrophobicContact CG1-CG2 3.93Å
276	S	97	Very high	96.3	Very high	49 Å²	49	41.6 Å²	41.6	34%	0.343	22%	0.218	S	C	.	.	I	π-helix	trans	-60.8	-55.2	176	-178.6	0	0	0	0	111	S272 T273 L274 T280 R281	S272-S276 VanDerWaalsContact O-CB 3.25Å; S272-S276 WeakPolarHBondContact O-CB 3.49Å; S272-S276 PolarHBondContact O-N 2.81Å; T273-S276 PolarHBondContact O-N 2.83Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-S276 PolarHBondContact O-N 3.28Å; S276-T280 WeakPolarHBondContact O-CB 3.25Å; S276-T280 PolarHBondContact O-N 2.71Å; S276-R281 PolarHBondContact O-N 3.14Å; S276-R281 VanDerWaalsContact O-N 3.09Å
277	E	97.3	Very high	96.2	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.075	22%	0.219	C	C	.	.	I	π-helix	trans	-80	-39	-169.4	-61.4	-50.5	148.2	0	0	114	Q223 A227 A230 T273 L274 R281	Q223-E277 HydrophobicContact CG-CG 3.81Å; Q223-E277 WeakPolarHBondContact CG-OE1 3.36Å; Q223-E277 PolarHBondContact NE2-OE1 3.33Å; A227-E277 HydrophobicContact CB-CG 4.49Å; A230-E277 WeakPolarHBondContact CB-O 3.5Å; T273-E277 WeakPolarHBondContact O-CG 3.45Å; T273-E277 PolarHBondContact O-N 2.89Å; L274-E277 PolarHBondContact O-N 3.26Å; E277-R281 PolarHBondContact O-NH2 2.91Å; E277-R281 IonicContact OE2-CZ 3.82Å; E277-R281 IonicContact OE2-NE 3.43Å; E277-R281 PolarHBondContact OE2-NE 3.21Å; E277-R281 IonicContact OE2-NH2 3.1Å; E277-R281 PolarHBondContact OE2-NH2 2.89Å
278	L	97.5	Very high	95.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-89.6	-26.4	-174.1	-60.6	176.4	0	0	0	113.5	Y226 A230 Y242 V246 R249 L274 P282	Y226-L278 HydrophobicContact CD1-CD1 3.89Å; Y226-L278 HydrophobicContact CD1-CD2 4.08Å; Y226-L278 HydrophobicContact CD1-CG 4.25Å; Y226-L278 HydrophobicContact CE1-CD1 4.43Å; Y226-L278 HydrophobicContact CG-CD1 4.28Å; Y226-L278 HydrophobicContact CG-CD2 4.36Å; Y226-L278 HydrophobicContact CG-CG 4.31Å; A230-L278 HydrophobicContact CB-CD2 4.12Å; Y242-L278 WeakPolarHBondContact CE1-O 3.27Å; Y242-L278 PolarHBondContact OH-O 3.43Å; V246-L278 HydrophobicContact CG1-CB 4Å; V246-L278 HydrophobicContact CG1-CD1 4.1Å; V246-L278 HydrophobicContact CG2-CB 3.95Å; V246-L278 HydrophobicContact CG2-CD1 4.38Å; R249-L278 HydrophobicContact CB-CD1 4.37Å; L274-L278 HydrophobicContact CB-CD1 4.25Å; L274-L278 HydrophobicContact CD2-CD1 4.4Å; L274-L278 HydrophobicContact CG-CD1 4.23Å; L274-L278 WeakPolarHBondContact O-CB 3.37Å; L274-L278 WeakPolarHBondContact O-CG 3.5Å; L274-L278 PolarHBondContact O-N 3.27Å; L278-P282 WeakPolarHBondContact O-CG 3.49Å
279	L	96.9	Very high	95.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.212	C	C	.	.	I	π-helix	trans	-121.3	-51.6	-172.8	-64.1	171.5	0	0	0	113	L243 V246 V275 P282 L283 L286 L309 V313	L243-L279 HydrophobicContact CD2-CD2 4.36Å; V246-L279 HydrophobicContact CG1-CD1 4.24Å; V246-L279 HydrophobicContact CG1-CD2 3.87Å; V246-L279 HydrophobicContact CG1-CG 3.95Å; V275-L279 HydrophobicContact CG2-CD1 4.49Å; V275-L279 WeakPolarHBondContact O-CB 3.48Å; V275-L279 PolarHBondContact O-N 3.39Å; L279-P282 WeakPolarHBondContact O-CD 3.41Å; L279-L283 VanDerWaalsContact O-CA 3.22Å; L279-L283 WeakPolarHBondContact O-CA 3.42Å; L279-L283 VanDerWaalsContact O-CB 3.25Å; L279-L283 WeakPolarHBondContact O-CB 3.38Å; L279-L283 PolarHBondContact O-N 3.42Å; L279-L286 HydrophobicContact CD2-CD1 4.23Å; L279-L309 HydrophobicContact CD1-CB 4.1Å; L279-L309 HydrophobicContact CD1-CD2 4.42Å; L279-L309 WeakPolarHBondContact CD1-O 3.25Å; L279-L309 HydrophobicContact CD2-CB 4.09Å; L279-V313 HydrophobicContact CB-CG2 3.51Å; L279-V313 HydrophobicContact CD1-CG2 4.25Å
280	T	96.4	Very high	95.4	Very high	57 Å²	57	36.4 Å²	36.4	35%	0.35	19%	0.194	S	C	.	.	I	π-helix	trans	-66.1	-47.2	-171.7	-52.6	0	0	0	0	111.3	V275 S276 L283 V313	V275-T280 WeakPolarHBondContact O-CB 3.33Å; V275-T280 PolarHBondContact O-N 3.18Å; V275-T280 PolarHBondContact O-OG1 3.45Å; S276-T280 WeakPolarHBondContact O-CB 3.25Å; S276-T280 PolarHBondContact O-N 2.71Å; T280-L283 WeakPolarHBondContact O-CB 3.39Å; T280-L283 PolarHBondContact O-N 3.03Å; T280-V313 HydrophobicContact CG2-CG1 4Å; T280-V313 WeakPolarHBondContact OG1-CG1 3.17Å
281	R	93.1	Very high	95.1	Very high	110 Å²	110	36.5 Å²	36.5	42%	0.415	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-47.1	-179.6	-176.2	164.4	53.3	92.8	20.8	113.4	A227 D231 S276 E277 L283	A227-R281 PolarHBondContact O-NH2 3Å; D231-R281 IonicContact OD1-CZ 3.89Å; D231-R281 IonicContact OD1-NH1 3.62Å; D231-R281 PolarHBondContact OD1-NH1 2.93Å; D231-R281 IonicContact OD1-NH2 2.72Å; D231-R281 IonicContact OD2-NH1 3.72Å; S276-R281 PolarHBondContact O-N 3.14Å; S276-R281 VanDerWaalsContact O-N 3.09Å; E277-R281 PolarHBondContact O-NH2 2.91Å; E277-R281 IonicContact OE2-CZ 3.82Å; E277-R281 IonicContact OE2-NE 3.43Å; E277-R281 PolarHBondContact OE2-NE 3.21Å; E277-R281 IonicContact OE2-NH2 3.1Å; E277-R281 PolarHBondContact OE2-NH2 2.89Å; R281-L283 VanDerWaalsContact C-N 3.34Å
282	P	93	Very high	94.9	Very high	20 Å²	20	38.1 Å²	38.1	13%	0.13	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	9.3	175.2	34.2	-37.5	0	0	0	114.8	L278 L279 D284 Y285 L286	L278-P282 WeakPolarHBondContact O-CG 3.49Å; L279-P282 WeakPolarHBondContact O-CD 3.41Å; P282-D284 PolarHBondContact O-N 3.5Å; P282-Y285 WeakPolarHBondContact O-CB 3.4Å; P282-Y285 PolarHBondContact O-N 2.93Å; P282-Y285 VanDerWaalsContact O-N 3.14Å; P282-L286 HydrophobicContact CB-CD1 4.38Å; P282-L286 HydrophobicContact CB-CG 4.3Å; P282-L286 HydrophobicContact CG-CD1 4.01Å; P282-L286 HydrophobicContact CG-CG 4.46Å; P282-L286 WeakPolarHBondContact O-CG 3.42Å; P282-L286 PolarHBondContact O-N 2.99Å
283	L	94.4	Very high	94.7	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-54	-47	-166.1	-178.2	57.5	0	0	0	113.9	L279 T280 R281 Y285 L286 L287 V310 V313 K319	L279-L283 VanDerWaalsContact O-CA 3.22Å; L279-L283 WeakPolarHBondContact O-CA 3.42Å; L279-L283 VanDerWaalsContact O-CB 3.25Å; L279-L283 WeakPolarHBondContact O-CB 3.38Å; L279-L283 PolarHBondContact O-N 3.42Å; T280-L283 WeakPolarHBondContact O-CB 3.39Å; T280-L283 PolarHBondContact O-N 3.03Å; R281-L283 VanDerWaalsContact C-N 3.34Å; L283-Y285 VanDerWaalsContact C-N 3.35Å; L283-Y285 PolarHBondContact O-N 3.45Å; L283-L286 PolarHBondContact O-N 3.1Å; L283-L287 HydrophobicContact CD1-CD1 3.93Å; L283-L287 HydrophobicContact CD1-CD2 4.49Å; L283-L287 HydrophobicContact CD1-CG 3.95Å; L283-L287 HydrophobicContact CG-CD1 3.97Å; L283-L287 HydrophobicContact CG-CG 4.36Å; L283-L287 WeakPolarHBondContact O-CG 3.22Å; L283-L287 PolarHBondContact O-N 3.11Å; L283-V310 HydrophobicContact CD1-CG1 4.33Å; L283-V310 HydrophobicContact CD1-CG2 4.01Å; L283-V313 HydrophobicContact CD2-CG1 3.91Å; L283-K319 HydrophobicContact CD2-CD 3.61Å; L283-K319 HydrophobicContact CG-CD 4.26Å
284	D	93.4	Very high	94.5	Very high	77 Å²	77	37.9 Å²	37.9	41%	0.412	20%	0.198	S	C	.	.	H	α-helix	trans	-63.9	-42.7	-176.2	-64.5	-34.2	0	0	0	110.8	P282 L286 L287 D288 K319	P282-D284 PolarHBondContact O-N 3.5Å; D284-L286 PolarHBondContact O-N 2.96Å; D284-L287 PolarHBondContact O-N 3Å; D284-D288 WeakPolarHBondContact O-CB 3.41Å; D284-D288 PolarHBondContact O-N 3.41Å; D284-K319 VanDerWaalsContact CG-NZ 3.3Å; D284-K319 WeakPolarHBondContact OD1-CE 3.5Å; D284-K319 IonicContact OD1-NZ 3.55Å; D284-K319 PolarHBondContact OD1-NZ 3.41Å; D284-K319 IonicContact OD2-NZ 2.84Å; D284-K319 PolarHBondContact OD2-NZ 3.33Å; D284-K319 VanDerWaalsContact OD2-NZ 3.09Å
285	Y	93.4	Very high	94.3	Very high	104 Å²	104	37.9 Å²	37.9	41%	0.408	20%	0.198	S	C	.	.	H	α-helix	trans	-60.6	-42.6	173.6	170.7	-100.9	0	0	0	112.5	S234 V239 P282 L283 L287 N289	S234-Y285 PolarHBondContact O-OH 3.07Å; V239-Y285 HydrophobicContact CG2-CE1 4.21Å; P282-Y285 WeakPolarHBondContact O-CB 3.4Å; P282-Y285 PolarHBondContact O-N 2.93Å; P282-Y285 VanDerWaalsContact O-N 3.14Å; L283-Y285 VanDerWaalsContact C-N 3.35Å; L283-Y285 PolarHBondContact O-N 3.45Å; Y285-L287 VanDerWaalsContact C-N 3.35Å; Y285-N289 WeakPolarHBondContact CD2-ND2 3.46Å; Y285-N289 VanDerWaalsContact CE2-ND2 3.34Å; Y285-N289 WeakPolarHBondContact CE2-ND2 3.31Å; Y285-N289 WeakPolarHBondContact O-CB 3.38Å; Y285-N289 PolarHBondContact O-N 3.35Å; Y285-N289 VanDerWaalsContact O-N 3.11Å; Y285-N289 PolarHBondContact O-ND2 3.18Å
286	L	94.9	Very high	93.9	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-38.9	178.4	-64.4	175.2	0	0	0	111.7	V239 Y242 L243 L279 P282 L283 D284 G290	V239-L286 HydrophobicContact CG1-CD2 4Å; Y242-L286 HydrophobicContact CD1-CD2 3.61Å; Y242-L286 HydrophobicContact CE1-CD1 4.14Å; Y242-L286 HydrophobicContact CE1-CD2 3.88Å; L243-L286 HydrophobicContact CD2-CD1 4.26Å; L243-L286 HydrophobicContact CD2-CD2 4.49Å; L279-L286 HydrophobicContact CD2-CD1 4.23Å; P282-L286 HydrophobicContact CB-CD1 4.38Å; P282-L286 HydrophobicContact CB-CG 4.3Å; P282-L286 HydrophobicContact CG-CD1 4.01Å; P282-L286 HydrophobicContact CG-CG 4.46Å; P282-L286 WeakPolarHBondContact O-CG 3.42Å; P282-L286 PolarHBondContact O-N 2.99Å; L283-L286 PolarHBondContact O-N 3.1Å; D284-L286 PolarHBondContact O-N 2.96Å; L286-G290 WeakPolarHBondContact O-CA 3.41Å; L286-G290 PolarHBondContact O-N 2.89Å
287	L	95.4	Very high	93.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-73.5	-42.4	178.6	-68.2	177.6	0	0	0	112.1	L283 D284 Y285 N289 L291 L306 V310 K319 L320	L283-L287 HydrophobicContact CD1-CD1 3.93Å; L283-L287 HydrophobicContact CD1-CD2 4.49Å; L283-L287 HydrophobicContact CD1-CG 3.95Å; L283-L287 HydrophobicContact CG-CD1 3.97Å; L283-L287 HydrophobicContact CG-CG 4.36Å; L283-L287 WeakPolarHBondContact O-CG 3.22Å; L283-L287 PolarHBondContact O-N 3.11Å; D284-L287 PolarHBondContact O-N 3Å; Y285-L287 VanDerWaalsContact C-N 3.35Å; L287-N289 VanDerWaalsContact C-N 3.32Å; L287-N289 PolarHBondContact O-N 3.24Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 PolarHBondContact O-N 3.18Å; L287-L306 HydrophobicContact CD2-CD1 4.42Å; L287-V310 HydrophobicContact CD2-CG2 4.2Å; L287-K319 HydrophobicContact CD1-CB 3.62Å; L287-L320 HydrophobicContact CD2-CB 4.27Å; L287-L320 HydrophobicContact CD2-CD1 3.73Å
288	D	92.3	Very high	93.3	Very high	98 Å²	98	50 Å²	50	52%	0.524	25%	0.249	S	C	.	.	H	α-helix	trans	-61	-40.3	178.3	-79.1	-30.3	0	0	0	112.5	D284 H323	D284-D288 WeakPolarHBondContact O-CB 3.41Å; D284-D288 PolarHBondContact O-N 3.41Å; D288-H323 IonicContact OD1-CE1 3.1Å; D288-H323 PolarHBondContact OD1-CE1 3.45Å; D288-H323 IonicContact OD1-ND1 3.39Å; D288-H323 PolarHBondContact OD1-ND1 2.95Å
289	N	91.2	Very high	93.1	Very high	91 Å²	91	53 Å²	53	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-103.9	-16.2	-173.1	-61.6	-79.4	0	0	0	113.6	V239 Y285 L287	V239-N289 HydrophobicContact CG2-CB 3.78Å; Y285-N289 WeakPolarHBondContact CD2-ND2 3.46Å; Y285-N289 VanDerWaalsContact CE2-ND2 3.34Å; Y285-N289 WeakPolarHBondContact CE2-ND2 3.31Å; Y285-N289 WeakPolarHBondContact O-CB 3.38Å; Y285-N289 PolarHBondContact O-N 3.35Å; Y285-N289 VanDerWaalsContact O-N 3.11Å; Y285-N289 PolarHBondContact O-ND2 3.18Å; L287-N289 VanDerWaalsContact C-N 3.32Å; L287-N289 PolarHBondContact O-N 3.24Å
290	G	91.6	Very high	92.9	Very high	6 Å²	6	56.2 Å²	56.2	6%	0.062	28%	0.282	C	S	.	.	H	α-helix	trans	-101	-14.7	-174.2	0	0	0	0	0	115.6	L286 P294	L286-G290 WeakPolarHBondContact O-CA 3.41Å; L286-G290 PolarHBondContact O-N 2.89Å; G290-P294 VanDerWaalsContact O-CD 3.26Å; G290-P294 WeakPolarHBondContact O-CD 3.5Å; G290-P294 VanDerWaalsContact O-CG 3.24Å; G290-P294 WeakPolarHBondContact O-CG 3.24Å
291	L	93.3	Very high	92.8	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.295	C	S	.	.	S	Bend	trans	-94.3	-46.8	-173	-174.1	62.4	0	0	0	113.7	L287 P294 L295 L303 L306 L320 H323 F324	L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 PolarHBondContact O-N 3.18Å; L291-P294 WeakPolarHBondContact O-CD 3.14Å; L291-L295 HydrophobicContact CD1-CD1 3.86Å; L291-L295 HydrophobicContact CD1-CG 4.28Å; L291-L295 HydrophobicContact CD2-CD1 4.36Å; L291-L295 HydrophobicContact CG-CD1 3.7Å; L291-L295 HydrophobicContact CG-CG 4.47Å; L291-L295 VanDerWaalsContact O-CG 3.31Å; L291-L295 WeakPolarHBondContact O-CG 3.37Å; L291-L295 PolarHBondContact O-N 3.03Å; L291-L303 HydrophobicContact CD1-CD2 3.98Å; L291-L306 HydrophobicContact CB-CD2 4.4Å; L291-L306 HydrophobicContact CD1-CD2 3.92Å; L291-L320 HydrophobicContact CD1-CD1 3.87Å; L291-L320 HydrophobicContact CD2-CD1 4.07Å; L291-H323 HydrophobicContact CD2-CB 3.63Å; L291-F324 HydrophobicContact CD2-CB 4.3Å
292	V	93.1	Very high	92.8	Very high	55 Å²	55	55 Å²	55	33%	0.333	29%	0.287	S	S	.	.	H	α-helix	trans	-67	-46.8	-167.9	175.6	0	0	0	0	112.4	L295 K296 Y327	V292-L295 PolarHBondContact O-N 3.44Å; V292-K296 HydrophobicContact CG1-CD 4.03Å; V292-K296 HydrophobicContact CG1-CG 4.39Å; V292-K296 WeakPolarHBondContact O-CG 3.31Å; V292-K296 PolarHBondContact O-N 3.09Å; V292-Y327 HydrophobicContact CB-CD2 4.38Å; V292-Y327 HydrophobicContact CG1-CD2 4Å; V292-Y327 HydrophobicContact CG1-CE2 3.98Å; V292-Y327 HydrophobicContact CG2-CD2 4.08Å
293	N	92	Very high	92.9	Very high	90 Å²	90	54 Å²	54	48%	0.481	28%	0.281	S	S	.	.	H	α-helix	trans	-66.1	-45.5	-176.1	-177.3	49.7	0	0	0	112.3	L295 K296 T297	N293-L295 VanDerWaalsContact C-N 3.3Å; N293-L295 PolarHBondContact O-N 2.98Å; N293-K296 PolarHBondContact O-N 2.87Å; N293-T297 WeakPolarHBondContact O-CB 3.33Å; N293-T297 PolarHBondContact O-N 3.47Å; N293-T297 PolarHBondContact O-OG1 3.44Å
294	P	92.4	Very high	93	Very high	4 Å²	4	56 Å²	56	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-34.6	173.8	-29.2	40	0	0	0	113.9	G290 L291 K298 Q299 Q302 L303	G290-P294 VanDerWaalsContact O-CD 3.26Å; G290-P294 WeakPolarHBondContact O-CD 3.5Å; G290-P294 VanDerWaalsContact O-CG 3.24Å; G290-P294 WeakPolarHBondContact O-CG 3.24Å; L291-P294 WeakPolarHBondContact O-CD 3.14Å; P294-K298 WeakPolarHBondContact O-CA 3.19Å; P294-K298 PolarHBondContact O-N 3.04Å; P294-Q299 HydrophobicContact CB-CB 4.14Å; P294-Q299 PolarHBondContact O-N 3.18Å; P294-Q302 HydrophobicContact CB-CB 4.31Å; P294-Q302 HydrophobicContact CG-CB 4.3Å; P294-L303 HydrophobicContact CB-CD1 4.46Å; P294-L303 HydrophobicContact CB-CD2 3.83Å; P294-L303 HydrophobicContact CB-CG 3.82Å
295	L	93.4	Very high	93.2	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-46.2	173.8	-73.9	171.8	0	0	0	111.8	L291 V292 N293 T297 K298 L303 F324 Y327 F359 I363	L291-L295 HydrophobicContact CD1-CD1 3.86Å; L291-L295 HydrophobicContact CD1-CG 4.28Å; L291-L295 HydrophobicContact CD2-CD1 4.36Å; L291-L295 HydrophobicContact CG-CD1 3.7Å; L291-L295 HydrophobicContact CG-CG 4.47Å; L291-L295 VanDerWaalsContact O-CG 3.31Å; L291-L295 WeakPolarHBondContact O-CG 3.37Å; L291-L295 PolarHBondContact O-N 3.03Å; V292-L295 PolarHBondContact O-N 3.44Å; N293-L295 VanDerWaalsContact C-N 3.3Å; N293-L295 PolarHBondContact O-N 2.98Å; L295-T297 PolarHBondContact O-N 3.25Å; L295-K298 PolarHBondContact O-N 3.31Å; L295-L303 HydrophobicContact CD2-CD1 3.89Å; L295-L303 HydrophobicContact CD2-CD2 4.06Å; L295-L303 HydrophobicContact CG-CD1 4.47Å; L295-L303 HydrophobicContact CG-CD2 4.03Å; L295-F324 HydrophobicContact CD1-CD2 4.01Å; L295-F324 HydrophobicContact CD1-CE2 4.27Å; L295-F324 HydrophobicContact CD2-CE2 4.13Å; L295-Y327 HydrophobicContact CB-CD1 4.42Å; L295-Y327 HydrophobicContact CB-CE1 3.83Å; L295-Y327 HydrophobicContact CB-CE2 4.31Å; L295-Y327 HydrophobicContact CD1-CD1 3.46Å; L295-Y327 VanDerWaalsContact CD1-CD1 3.46Å; L295-Y327 HydrophobicContact CD1-CD2 4.41Å; L295-Y327 HydrophobicContact CD1-CE1 3.72Å; L295-Y327 HydrophobicContact CD1-CG 3.83Å; L295-Y327 HydrophobicContact CG-CD1 4.5Å; L295-Y327 HydrophobicContact CG-CE1 4.31Å; L295-F359 VanDerWaalsContact O-CE1 3.29Å; L295-F359 WeakPolarHBondContact O-CE1 2.94Å; L295-F359 VanDerWaalsContact O-CZ 3.24Å; L295-F359 WeakPolarHBondContact O-CZ 3.25Å; L295-I363 HydrophobicContact CD2-CG2 4.08Å
296	K	90.7	Very high	93.3	Very high	132 Å²	132	48.7 Å²	48.7	57%	0.574	26%	0.263	S	S	*	.	H	α-helix	trans	-64.9	-37.9	178.1	-73	-176.5	176.1	-174.1	0	112.9	V292 N293 Y327	V292-K296 HydrophobicContact CG1-CD 4.03Å; V292-K296 HydrophobicContact CG1-CG 4.39Å; V292-K296 WeakPolarHBondContact O-CG 3.31Å; V292-K296 PolarHBondContact O-N 3.09Å; N293-K296 PolarHBondContact O-N 2.87Å; K296-Y327 HydrophobicContact CG-CE2 4.05Å
297	T	91.4	Very high	93.4	Very high	65 Å²	65	49.5 Å²	49.5	40%	0.399	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	5.2	-176.8	57.9	0	0	0	0	113.7	N293 L295 Q299	N293-T297 WeakPolarHBondContact O-CB 3.33Å; N293-T297 PolarHBondContact O-N 3.47Å; N293-T297 PolarHBondContact O-OG1 3.44Å; L295-T297 PolarHBondContact O-N 3.25Å; T297-Q299 VanDerWaalsContact C-N 3.27Å; T297-Q299 PolarHBondContact O-N 2.88Å; T297-Q299 VanDerWaalsContact OG1-CG 3.29Å; T297-Q299 WeakPolarHBondContact OG1-CG 3.41Å; T297-Q299 PolarHBondContact OG1-NE2 3.43Å; T297-Q299 VanDerWaalsContact OG1-NE2 3.08Å
298	K	89.9	Confident	93.5	Very high	131 Å²	131	52 Å²	52	57%	0.57	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	36.2	179.2	-46.8	-164.7	170.8	-176.4	0	113.7	P294 L295 T300 F359	P294-K298 WeakPolarHBondContact O-CA 3.19Å; P294-K298 PolarHBondContact O-N 3.04Å; L295-K298 PolarHBondContact O-N 3.31Å; K298-T300 PolarHBondContact O-N 2.82Å; K298-T300 VanDerWaalsContact O-N 3.07Å; K298-F359 HydrophobicContact CB-CE2 3.72Å; K298-F359 HydrophobicContact CB-CZ 4.03Å; K298-F359 HydrophobicContact CD-CD2 3.76Å; K298-F359 HydrophobicContact CD-CE2 3.51Å; K298-F359 HydrophobicContact CD-CZ 4.19Å; K298-F359 HydrophobicContact CG-CD2 4.11Å; K298-F359 HydrophobicContact CG-CE1 4.48Å; K298-F359 HydrophobicContact CG-CE2 3.37Å; K298-F359 HydrophobicContact CG-CZ 3.59Å
299	Q	92.1	Very high	93.7	Very high	63 Å²	63	47.3 Å²	47.3	29%	0.294	26%	0.259	S	S	.	.			trans	-83.1	82.1	-178.6	-68.3	175.7	14	0	0	111	P294 T297 S301 Q302 L303	P294-Q299 HydrophobicContact CB-CB 4.14Å; P294-Q299 PolarHBondContact O-N 3.18Å; T297-Q299 VanDerWaalsContact C-N 3.27Å; T297-Q299 PolarHBondContact O-N 2.88Å; T297-Q299 VanDerWaalsContact OG1-CG 3.29Å; T297-Q299 WeakPolarHBondContact OG1-CG 3.41Å; T297-Q299 PolarHBondContact OG1-NE2 3.43Å; T297-Q299 VanDerWaalsContact OG1-NE2 3.08Å; Q299-S301 PolarHBondContact O-N 3.42Å; Q299-Q302 HydrophobicContact CB-CB 4.38Å; Q299-Q302 HydrophobicContact CB-CG 4.39Å; Q299-Q302 PolarHBondContact O-N 2.97Å; Q299-L303 PolarHBondContact O-N 3.26Å
300	T	93	Very high	93.9	Very high	68 Å²	68	43 Å²	43	42%	0.417	24%	0.236	S	C	.	.	H	α-helix	trans	-60	-41.8	-174.7	53	0	0	0	0	113.6	K298 Q302 L303 S304 I363	K298-T300 PolarHBondContact O-N 2.82Å; K298-T300 VanDerWaalsContact O-N 3.07Å; T300-Q302 VanDerWaalsContact C-N 3.31Å; T300-Q302 PolarHBondContact O-N 3.43Å; T300-L303 PolarHBondContact O-N 3.41Å; T300-L303 VanDerWaalsContact O-N 3.17Å; T300-S304 PolarHBondContact O-N 3.08Å; T300-S304 PolarHBondContact O-OG 2.94Å; T300-S304 VanDerWaalsContact O-OG 3.14Å; T300-I363 HydrophobicContact CG2-CD1 3.84Å
301	S	94.1	Very high	94.2	Very high	88 Å²	88	45.4 Å²	45.4	62%	0.615	25%	0.251	S	S	*	.	H	α-helix	trans	-59.4	-40.6	179.9	55.2	0	0	0	0	112.9	Q299 L305	Q299-S301 PolarHBondContact O-N 3.42Å; S301-L305 WeakPolarHBondContact O-CB 3.26Å; S301-L305 PolarHBondContact O-N 3.17Å
302	Q	94.3	Very high	94.3	Very high	54 Å²	54	50 Å²	50	25%	0.252	27%	0.269	S	S	.	.	H	α-helix	trans	-70.4	-38.7	177.7	-65.2	-172.5	11.6	0	0	111.7	P240 P294 Q299 T300 L305 L306	P240-Q302 HydrophobicContact CB-CG 4.48Å; P240-Q302 VanDerWaalsContact CG-OE1 3.31Å; P294-Q302 HydrophobicContact CB-CB 4.31Å; P294-Q302 HydrophobicContact CG-CB 4.3Å; Q299-Q302 HydrophobicContact CB-CB 4.38Å; Q299-Q302 HydrophobicContact CB-CG 4.39Å; Q299-Q302 PolarHBondContact O-N 2.97Å; T300-Q302 VanDerWaalsContact C-N 3.31Å; T300-Q302 PolarHBondContact O-N 3.43Å; Q302-L305 PolarHBondContact O-N 2.87Å; Q302-L306 WeakPolarHBondContact O-CB 3.46Å; Q302-L306 PolarHBondContact O-N 2.87Å
303	L	95.6	Very high	94.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-42.7	176.1	-69.4	168.6	0	0	0	111.8	L291 P294 L295 Q299 T300 L305 L306 F307 I363 C367 F368	L291-L303 HydrophobicContact CD1-CD2 3.98Å; P294-L303 HydrophobicContact CB-CD1 4.46Å; P294-L303 HydrophobicContact CB-CD2 3.83Å; P294-L303 HydrophobicContact CB-CG 3.82Å; L295-L303 HydrophobicContact CD2-CD1 3.89Å; L295-L303 HydrophobicContact CD2-CD2 4.06Å; L295-L303 HydrophobicContact CG-CD1 4.47Å; L295-L303 HydrophobicContact CG-CD2 4.03Å; Q299-L303 PolarHBondContact O-N 3.26Å; T300-L303 PolarHBondContact O-N 3.41Å; T300-L303 VanDerWaalsContact O-N 3.17Å; L303-L305 VanDerWaalsContact C-N 3.35Å; L303-L306 PolarHBondContact O-N 3.21Å; L303-F307 WeakPolarHBondContact O-CB 3.32Å; L303-F307 PolarHBondContact O-N 3.39Å; L303-I363 HydrophobicContact CD1-CD1 3.87Å; L303-I363 HydrophobicContact CD1-CG1 4.49Å; L303-I363 HydrophobicContact CD1-CG2 3.99Å; L303-C367 HydrophobicContact CB-CB 3.85Å; L303-F368 HydrophobicContact CB-CE1 4.36Å; L303-F368 HydrophobicContact CD2-CZ 4.45Å
304	S	96.3	Very high	94.4	Very high	44 Å²	44	48 Å²	48	31%	0.308	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-41.2	175.1	-60.3	0	0	0	0	111.9	T300 F307 S308	T300-S304 PolarHBondContact O-N 3.08Å; T300-S304 PolarHBondContact O-OG 2.94Å; T300-S304 VanDerWaalsContact O-OG 3.14Å; S304-F307 PolarHBondContact O-N 3.07Å; S304-S308 WeakPolarHBondContact O-CB 3.42Å; S304-S308 PolarHBondContact O-N 3.26Å
305	L	96.8	Very high	94.5	Very high	27 Å²	27	53.4 Å²	53.4	14%	0.141	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-48.7	176.2	179.6	62	0	0	0	111.5	L243 L244 D247 S301 Q302 L303 F307 S308 L309	L243-L305 HydrophobicContact CB-CD2 4Å; L243-L305 HydrophobicContact CB-CG 4.38Å; L244-L305 HydrophobicContact CD2-CD2 3.65Å; L244-L305 HydrophobicContact CG-CD2 3.9Å; D247-L305 HydrophobicContact CB-CD1 3.83Å; S301-L305 WeakPolarHBondContact O-CB 3.26Å; S301-L305 PolarHBondContact O-N 3.17Å; Q302-L305 PolarHBondContact O-N 2.87Å; L303-L305 VanDerWaalsContact C-N 3.35Å; L305-F307 VanDerWaalsContact C-N 3.31Å; L305-F307 PolarHBondContact O-N 3.47Å; L305-S308 PolarHBondContact O-N 3.43Å; L305-L309 HydrophobicContact CD1-CD1 3.9Å; L305-L309 HydrophobicContact CD1-CG 4.13Å; L305-L309 HydrophobicContact CG-CD1 4Å; L305-L309 WeakPolarHBondContact O-CG 3.46Å; L305-L309 PolarHBondContact O-N 3.3Å
306	L	96.4	Very high	94.6	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-55.5	-48.9	176.2	176.2	65.8	0	0	0	110.4	L243 L287 L291 Q302 L303 L309 V310 L320	L243-L306 HydrophobicContact CD1-CB 4.15Å; L243-L306 HydrophobicContact CD1-CD1 3.78Å; L287-L306 HydrophobicContact CD2-CD1 4.42Å; L291-L306 HydrophobicContact CB-CD2 4.4Å; L291-L306 HydrophobicContact CD1-CD2 3.92Å; Q302-L306 WeakPolarHBondContact O-CB 3.46Å; Q302-L306 PolarHBondContact O-N 2.87Å; L303-L306 PolarHBondContact O-N 3.21Å; L306-L309 PolarHBondContact O-N 3.27Å; L306-V310 HydrophobicContact CD1-CG2 3.72Å; L306-V310 HydrophobicContact CG-CG2 4.28Å; L306-V310 VanDerWaalsContact O-CB 3.24Å; L306-V310 WeakPolarHBondContact O-CB 3.48Å; L306-V310 WeakPolarHBondContact O-CG2 3.46Å; L306-V310 PolarHBondContact O-N 2.96Å; L306-L320 HydrophobicContact CD2-CD1 4.34Å
307	F	96.8	Very high	94.8	Very high	18 Å²	18	48.6 Å²	48.6	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-60.5	-47.3	178.4	-179.7	-97.6	0	0	0	112.1	L303 S304 L305 L309 V310 S311 I317 L320 F368 S369 F374	L303-F307 WeakPolarHBondContact O-CB 3.32Å; L303-F307 PolarHBondContact O-N 3.39Å; S304-F307 PolarHBondContact O-N 3.07Å; L305-F307 VanDerWaalsContact C-N 3.31Å; L305-F307 PolarHBondContact O-N 3.47Å; F307-L309 PolarHBondContact O-N 3.37Å; F307-V310 PolarHBondContact O-N 3.41Å; F307-S311 VanDerWaalsContact O-CB 3.29Å; F307-S311 WeakPolarHBondContact O-CB 3.39Å; F307-S311 PolarHBondContact O-N 3.38Å; F307-S311 PolarHBondContact O-OG 3.38Å; F307-I317 HydrophobicContact CD2-CD1 3.97Å; F307-I317 HydrophobicContact CE2-CD1 3.57Å; F307-I317 HydrophobicContact CZ-CD1 4.12Å; F307-L320 HydrophobicContact CD2-CD2 3.81Å; F307-F368 HydrophobicContact CB-CD1 3.82Å; F307-F368 HydrophobicContact CB-CE1 4.26Å; F307-F368 HydrophobicContact CD2-CB 3.95Å; F307-F368 AromaticContact CD2-CD1 3.6Å; F307-F368 HydrophobicContact CD2-CD1 3.6Å; F307-F368 HydrophobicContact CD2-CE1 4.46Å; F307-F368 HydrophobicContact CD2-CG 4.06Å; F307-F368 HydrophobicContact CE2-CB 3.9Å; F307-F368 HydrophobicContact CE2-CD1 4.4Å; F307-F368 HydrophobicContact CE2-CG 4.44Å; F307-F368 HydrophobicContact CG-CB 4.49Å; F307-F368 AromaticContact CG-CD1 3.86Å; F307-F368 HydrophobicContact CG-CD1 3.86Å; F307-F368 HydrophobicContact CZ-CB 4.41Å; F307-S369 WeakPolarHBondContact CE1-OG 3.24Å; F307-F374 HydrophobicContact CD2-CZ 4.48Å; F307-F374 AromaticContact CE2-CE2 3.89Å; F307-F374 HydrophobicContact CE2-CE2 3.89Å; F307-F374 HydrophobicContact CE2-CZ 4.21Å
308	S	96.3	Very high	95	Very high	53 Å²	53	50.3 Å²	50.3	37%	0.371	27%	0.274	S	S	.	.	H	α-helix	trans	-58.4	-45.6	178.6	178	0	0	0	0	112.4	S304 L305 S311	S304-S308 WeakPolarHBondContact O-CB 3.42Å; S304-S308 PolarHBondContact O-N 3.26Å; L305-S308 PolarHBondContact O-N 3.43Å; S308-S311 WeakPolarHBondContact O-CB 3.46Å
309	L	97.1	Very high	95.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-71.2	-46.5	-179.8	-68.2	174.3	0	0	0	111.7	L243 V246 D247 I250 L279 L305 L306 F307 S311 R312	L243-L309 HydrophobicContact CB-CD1 3.88Å; L243-L309 HydrophobicContact CD2-CD1 3.81Å; L243-L309 HydrophobicContact CG-CD1 4.4Å; L243-L309 WeakPolarHBondContact O-CD1 3.4Å; V246-L309 HydrophobicContact CG1-CD2 4.28Å; D247-L309 HydrophobicContact CB-CD1 4.44Å; D247-L309 HydrophobicContact CB-CD2 4.24Å; I250-L309 HydrophobicContact CD1-CD2 3.76Å; L279-L309 HydrophobicContact CD1-CB 4.1Å; L279-L309 HydrophobicContact CD1-CD2 4.42Å; L279-L309 WeakPolarHBondContact CD1-O 3.25Å; L279-L309 HydrophobicContact CD2-CB 4.09Å; L305-L309 HydrophobicContact CD1-CD1 3.9Å; L305-L309 HydrophobicContact CD1-CG 4.13Å; L305-L309 HydrophobicContact CG-CD1 4Å; L305-L309 WeakPolarHBondContact O-CG 3.46Å; L305-L309 PolarHBondContact O-N 3.3Å; L306-L309 PolarHBondContact O-N 3.27Å; F307-L309 PolarHBondContact O-N 3.37Å; L309-S311 PolarHBondContact O-N 2.98Å; L309-R312 VanDerWaalsContact O-CB 3.31Å; L309-R312 WeakPolarHBondContact O-CB 3.43Å; L309-R312 PolarHBondContact O-N 2.98Å
310	V	96.2	Very high	95.6	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-29.6	179.2	172.7	0	0	0	0	111.7	L283 L287 L306 F307 R312 V313 G316 L320	L283-V310 HydrophobicContact CD1-CG1 4.33Å; L283-V310 HydrophobicContact CD1-CG2 4.01Å; L287-V310 HydrophobicContact CD2-CG2 4.2Å; L306-V310 HydrophobicContact CD1-CG2 3.72Å; L306-V310 HydrophobicContact CG-CG2 4.28Å; L306-V310 VanDerWaalsContact O-CB 3.24Å; L306-V310 WeakPolarHBondContact O-CB 3.48Å; L306-V310 WeakPolarHBondContact O-CG2 3.46Å; L306-V310 PolarHBondContact O-N 2.96Å; F307-V310 PolarHBondContact O-N 3.41Å; V310-R312 PolarHBondContact O-N 3.34Å; V310-V313 PolarHBondContact O-N 3.47Å; V310-G316 WeakPolarHBondContact CG1-O 3.49Å; V310-L320 HydrophobicContact CG1-CB 4.13Å; V310-L320 HydrophobicContact CG1-CD2 4.45Å
311	S	96.3	Very high	95.7	Very high	55 Å²	55	44.1 Å²	44.1	39%	0.385	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.5	172.9	-63.3	0	0	0	0	113.5	F307 S308 L309 V313 I317	F307-S311 VanDerWaalsContact O-CB 3.29Å; F307-S311 WeakPolarHBondContact O-CB 3.39Å; F307-S311 PolarHBondContact O-N 3.38Å; F307-S311 PolarHBondContact O-OG 3.38Å; S308-S311 WeakPolarHBondContact O-CB 3.46Å; L309-S311 PolarHBondContact O-N 2.98Å; S311-V313 VanDerWaalsContact C-N 3.34Å; S311-I317 VanDerWaalsContact OG-CD1 3.3Å; S311-I317 WeakPolarHBondContact OG-CD1 3.29Å
312	R	95.8	Very high	95.8	Very high	97 Å²	97	44.1 Å²	44.1	37%	0.366	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-20.8	177.4	-60.9	172.8	174.1	-109.7	4.5	112.4	V275 L309 V310	V275-R312 HydrophobicContact CG1-CB 4.4Å; V275-R312 WeakPolarHBondContact CG1-O 3.33Å; V275-R312 HydrophobicContact CG2-CB 3.82Å; L309-R312 VanDerWaalsContact O-CB 3.31Å; L309-R312 WeakPolarHBondContact O-CB 3.43Å; L309-R312 PolarHBondContact O-N 2.98Å; V310-R312 PolarHBondContact O-N 3.34Å
313	V	96.4	Very high	95.9	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.042	23%	0.227	C	C	.	.	S	Bend	trans	-83.6	131.3	-178.1	-177.9	0	0	0	0	110	V275 L279 T280 L283 V310 S311 N315 G316	V275-V313 HydrophobicContact CG1-CB 4.43Å; V275-V313 HydrophobicContact CG1-CG2 3.93Å; L279-V313 HydrophobicContact CB-CG2 3.51Å; L279-V313 HydrophobicContact CD1-CG2 4.25Å; T280-V313 HydrophobicContact CG2-CG1 4Å; T280-V313 WeakPolarHBondContact OG1-CG1 3.17Å; L283-V313 HydrophobicContact CD2-CG1 3.91Å; V310-V313 PolarHBondContact O-N 3.47Å; S311-V313 VanDerWaalsContact C-N 3.34Å; V313-N315 PolarHBondContact O-N 3.41Å; V313-G316 PolarHBondContact O-N 3.49Å
314	P	92.2	Very high	95.9	Very high	98 Å²	98	43.2 Å²	43.2	64%	0.636	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	126.6	169.4	-25.1	34.7	0	0	0	111	G316	P314-G316 PolarHBondContact O-N 2.87Å
315	N	92.5	Very high	95.9	Very high	116 Å²	116	44.6 Å²	44.6	62%	0.62	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	10	-173.8	-48.9	-28.6	0	0	0	115.3	V313 I317 E318 K319	V313-N315 PolarHBondContact O-N 3.41Å; N315-I317 PolarHBondContact O-N 2.64Å; N315-E318 WeakPolarHBondContact O-CB 3.4Å; N315-E318 PolarHBondContact O-N 2.89Å; N315-K319 PolarHBondContact O-N 2.91Å; N315-K319 VanDerWaalsContact O-N 3.09Å
316	G	95.6	Very high	95.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-45.7	179.8	0	0	0	0	0	112.5	V310 V313 P314 E318 K319 L320	V310-G316 WeakPolarHBondContact CG1-O 3.49Å; V313-G316 PolarHBondContact O-N 3.49Å; P314-G316 PolarHBondContact O-N 2.87Å; G316-E318 VanDerWaalsContact C-N 3.28Å; G316-E318 PolarHBondContact O-N 3.32Å; G316-K319 PolarHBondContact O-N 3.22Å; G316-L320 WeakPolarHBondContact O-CB 3.29Å; G316-L320 PolarHBondContact O-N 3.04Å
317	I	95.7	Very high	95.8	Very high	33 Å²	33	48.8 Å²	48.8	17%	0.169	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-36.6	176.9	-62.6	-53.6	0	0	0	112	F307 S311 N315 L320 R321 F374	F307-I317 HydrophobicContact CD2-CD1 3.97Å; F307-I317 HydrophobicContact CE2-CD1 3.57Å; F307-I317 HydrophobicContact CZ-CD1 4.12Å; S311-I317 VanDerWaalsContact OG-CD1 3.3Å; S311-I317 WeakPolarHBondContact OG-CD1 3.29Å; N315-I317 PolarHBondContact O-N 2.64Å; I317-L320 PolarHBondContact O-N 3.14Å; I317-R321 WeakPolarHBondContact O-CG 3.3Å; I317-R321 PolarHBondContact O-N 2.96Å; I317-F374 HydrophobicContact CG2-CE2 3.91Å; I317-F374 HydrophobicContact CG2-CZ 4.29Å
318	E	96.1	Very high	95.8	Very high	100 Å²	100	47.9 Å²	47.9	47%	0.467	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-47.9	177.2	-175.8	179.1	-174.2	0	0	111.6	N315 G316 R321 I322	N315-E318 WeakPolarHBondContact O-CB 3.4Å; N315-E318 PolarHBondContact O-N 2.89Å; G316-E318 VanDerWaalsContact C-N 3.28Å; G316-E318 PolarHBondContact O-N 3.32Å; E318-R321 WeakPolarHBondContact O-CB 3.32Å; E318-R321 PolarHBondContact O-N 3.25Å; E318-I322 WeakPolarHBondContact O-CG1 3.42Å; E318-I322 PolarHBondContact O-N 2.89Å
319	K	96	Very high	95.8	Very high	73 Å²	73	45.9 Å²	45.9	32%	0.317	23%	0.227	S	C	.	.	H	α-helix	trans	-60.5	-47.3	174	-73.1	-172.9	165.9	-161.5	0	111.2	L283 D284 L287 N315 G316 R321 I322 H323	L283-K319 HydrophobicContact CD2-CD 3.61Å; L283-K319 HydrophobicContact CG-CD 4.26Å; D284-K319 VanDerWaalsContact CG-NZ 3.3Å; D284-K319 WeakPolarHBondContact OD1-CE 3.5Å; D284-K319 IonicContact OD1-NZ 3.55Å; D284-K319 PolarHBondContact OD1-NZ 3.41Å; D284-K319 IonicContact OD2-NZ 2.84Å; D284-K319 PolarHBondContact OD2-NZ 3.33Å; D284-K319 VanDerWaalsContact OD2-NZ 3.09Å; L287-K319 HydrophobicContact CD1-CB 3.62Å; N315-K319 PolarHBondContact O-N 2.91Å; N315-K319 VanDerWaalsContact O-N 3.09Å; G316-K319 PolarHBondContact O-N 3.22Å; K319-R321 PolarHBondContact O-N 3.36Å; K319-I322 WeakPolarHBondContact O-CA 3.31Å; K319-I322 WeakPolarHBondContact O-CB 3.29Å; K319-I322 PolarHBondContact O-N 3.33Å; K319-H323 PolarHBondContact O-CD2 3.17Å; K319-H323 VanDerWaalsContact O-CD2 3.26Å; K319-H323 PolarHBondContact O-N 3.24Å
320	L	97.1	Very high	95.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-54.9	-41.2	177.5	179.3	59	0	0	0	112.2	L287 L291 L306 F307 V310 G316 I317 I322 H323 F324 F374	L287-L320 HydrophobicContact CD2-CB 4.27Å; L287-L320 HydrophobicContact CD2-CD1 3.73Å; L291-L320 HydrophobicContact CD1-CD1 3.87Å; L291-L320 HydrophobicContact CD2-CD1 4.07Å; L306-L320 HydrophobicContact CD2-CD1 4.34Å; F307-L320 HydrophobicContact CD2-CD2 3.81Å; V310-L320 HydrophobicContact CG1-CB 4.13Å; V310-L320 HydrophobicContact CG1-CD2 4.45Å; G316-L320 WeakPolarHBondContact O-CB 3.29Å; G316-L320 PolarHBondContact O-N 3.04Å; I317-L320 PolarHBondContact O-N 3.14Å; L320-I322 PolarHBondContact O-N 2.72Å; L320-H323 PolarHBondContact O-N 2.92Å; L320-F324 VanDerWaalsContact O-CB 3.29Å; L320-F324 WeakPolarHBondContact O-CB 3.44Å; L320-F324 PolarHBondContact O-N 2.85Å; L320-F374 HydrophobicContact CB-CZ 4.48Å; L320-F374 HydrophobicContact CD2-CE1 4.37Å; L320-F374 HydrophobicContact CD2-CZ 3.93Å; L320-F374 HydrophobicContact CG-CE1 4.09Å; L320-F374 HydrophobicContact CG-CZ 3.97Å
321	R	96.6	Very high	95.7	Very high	60 Å²	60	51.6 Å²	51.6	23%	0.226	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-40.3	174.2	-77	-170.4	-56.7	-109.5	-4.2	113	I317 E318 K319 F324 R325 S373 F374 V377	I317-R321 WeakPolarHBondContact O-CG 3.3Å; I317-R321 PolarHBondContact O-N 2.96Å; E318-R321 WeakPolarHBondContact O-CB 3.32Å; E318-R321 PolarHBondContact O-N 3.25Å; K319-R321 PolarHBondContact O-N 3.36Å; R321-F324 PolarHBondContact O-N 3.07Å; R321-R325 WeakPolarHBondContact O-CB 3.45Å; R321-R325 PolarHBondContact O-N 2.89Å; R321-S373 WeakPolarHBondContact CD-OG 3.48Å; R321-S373 PolarHBondContact NH1-OG 3.47Å; R321-S373 VanDerWaalsContact NH1-OG 3.07Å; R321-F374 HydrophobicContact CG-CD1 4.12Å; R321-F374 HydrophobicContact CG-CD2 4.19Å; R321-F374 HydrophobicContact CG-CE1 3.75Å; R321-F374 HydrophobicContact CG-CE2 3.85Å; R321-F374 HydrophobicContact CG-CG 4.33Å; R321-F374 HydrophobicContact CG-CZ 3.61Å; R321-V377 HydrophobicContact CB-CG2 4.28Å; R321-V377 HydrophobicContact CG-CG2 4.39Å
322	I	96.4	Very high	95.6	Very high	87 Å²	87	49 Å²	49	45%	0.446	24%	0.236	S	C	.	.	H	α-helix	trans	-62.2	-48.4	177.4	-65.2	166.8	0	0	0	110.1	E318 K319 L320 F324 R325 N326	E318-I322 WeakPolarHBondContact O-CG1 3.42Å; E318-I322 PolarHBondContact O-N 2.89Å; K319-I322 WeakPolarHBondContact O-CA 3.31Å; K319-I322 WeakPolarHBondContact O-CB 3.29Å; K319-I322 PolarHBondContact O-N 3.33Å; L320-I322 PolarHBondContact O-N 2.72Å; I322-F324 PolarHBondContact O-N 3.32Å; I322-R325 WeakPolarHBondContact O-CB 3.48Å; I322-R325 PolarHBondContact O-N 2.91Å; I322-N326 PolarHBondContact O-N 2.96Å; I322-N326 PolarHBondContact O-ND2 2.84Å
323	H	95.8	Very high	95.6	Very high	35 Å²	35	48 Å²	48	16%	0.162	23%	0.232	C	C	.	.	H	α-helix	trans	-65.7	-38.7	178.1	-71.3	-106.1	0	0	0	111.9	D288 L291 K319 L320 N326 Y327	D288-H323 IonicContact OD1-CE1 3.1Å; D288-H323 PolarHBondContact OD1-CE1 3.45Å; D288-H323 IonicContact OD1-ND1 3.39Å; D288-H323 PolarHBondContact OD1-ND1 2.95Å; L291-H323 HydrophobicContact CD2-CB 3.63Å; K319-H323 PolarHBondContact O-CD2 3.17Å; K319-H323 VanDerWaalsContact O-CD2 3.26Å; K319-H323 PolarHBondContact O-N 3.24Å; L320-H323 PolarHBondContact O-N 2.92Å; H323-N326 PolarHBondContact O-N 3.07Å; H323-Y327 PolarHBondContact O-N 3.27Å
324	F	96.1	Very high	95.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-44.6	175.4	-175.7	-118.9	0	0	0	111.9	L291 L295 L320 R321 I322 N326 Y327 I328 L360 F368 F374 V377	L291-F324 HydrophobicContact CD2-CB 4.3Å; L295-F324 HydrophobicContact CD1-CD2 4.01Å; L295-F324 HydrophobicContact CD1-CE2 4.27Å; L295-F324 HydrophobicContact CD2-CE2 4.13Å; L320-F324 VanDerWaalsContact O-CB 3.29Å; L320-F324 WeakPolarHBondContact O-CB 3.44Å; L320-F324 PolarHBondContact O-N 2.85Å; R321-F324 PolarHBondContact O-N 3.07Å; I322-F324 PolarHBondContact O-N 3.32Å; F324-N326 PolarHBondContact O-N 2.87Å; F324-Y327 PolarHBondContact O-N 2.59Å; F324-I328 HydrophobicContact CD1-CD1 3.56Å; F324-I328 HydrophobicContact CD2-CD1 4.22Å; F324-I328 HydrophobicContact CE1-CD1 3.26Å; F324-I328 HydrophobicContact CE1-CG1 4.41Å; F324-I328 HydrophobicContact CE2-CD1 3.94Å; F324-I328 HydrophobicContact CE2-CG1 4.29Å; F324-I328 HydrophobicContact CG-CD1 4.06Å; F324-I328 HydrophobicContact CZ-CD1 3.48Å; F324-I328 VanDerWaalsContact CZ-CD1 3.48Å; F324-I328 HydrophobicContact CZ-CG1 4.26Å; F324-I328 VanDerWaalsContact O-CG1 3.31Å; F324-I328 WeakPolarHBondContact O-CG1 3.42Å; F324-I328 PolarHBondContact O-N 3.27Å; F324-L360 HydrophobicContact CE2-CD2 3.91Å; F324-L360 HydrophobicContact CZ-CD2 4.04Å; F324-F368 HydrophobicContact CD2-CE2 4.07Å; F324-F368 AromaticContact CE2-CE2 3.87Å; F324-F368 HydrophobicContact CE2-CE2 3.87Å; F324-F368 HydrophobicContact CG-CE2 4.49Å; F324-F368 HydrophobicContact CZ-CE2 4.09Å; F324-F374 HydrophobicContact CB-CE1 4.35Å; F324-F374 AromaticContact CD1-CD1 3.62Å; F324-F374 HydrophobicContact CD1-CD1 3.62Å; F324-F374 HydrophobicContact CD1-CE1 4.25Å; F324-F374 AromaticContact CE1-CD1 3.97Å; F324-F374 HydrophobicContact CE1-CD1 3.97Å; F324-F374 HydrophobicContact CG-CD1 4.19Å; F324-F374 HydrophobicContact CG-CE1 4.41Å; F324-V377 HydrophobicContact CD1-CG1 4.11Å
325	R	96.7	Very high	95.5	Very high	73 Å²	73	49.8 Å²	49.8	28%	0.275	23%	0.232	S	C	.	.	H	α-helix	trans	-57.5	-50.4	174.3	-169.3	-178.3	-173.6	-72.9	-4.5	111	R321 I322 Y327 I328 T329 V377 A381 E384	R321-R325 WeakPolarHBondContact O-CB 3.45Å; R321-R325 PolarHBondContact O-N 2.89Å; I322-R325 WeakPolarHBondContact O-CB 3.48Å; I322-R325 PolarHBondContact O-N 2.91Å; R325-Y327 VanDerWaalsContact C-N 3.29Å; R325-Y327 PolarHBondContact O-N 3.12Å; R325-I328 PolarHBondContact O-N 3.5Å; R325-T329 WeakPolarHBondContact O-CB 3.32Å; R325-T329 PolarHBondContact O-N 3.19Å; R325-T329 PolarHBondContact O-OG1 3.02Å; R325-T329 VanDerWaalsContact O-OG1 3.12Å; R325-V377 HydrophobicContact CB-CG1 3.56Å; R325-V377 HydrophobicContact CG-CG1 3.93Å; R325-A381 HydrophobicContact CG-CB 4.42Å; R325-E384 IonicContact CZ-OE2 3.82Å; R325-E384 IonicContact NH1-OE2 2.69Å; R325-E384 PolarHBondContact NH1-OE2 3.36Å; R325-E384 IonicContact NH2-OE2 2.77Å; R325-E384 PolarHBondContact NH2-OE2 3.36Å
326	N	95.7	Very high	95.6	Very high	91 Å²	91	44.3 Å²	44.3	49%	0.487	20%	0.203	S	C	.	.	H	α-helix	trans	-59.1	-42.3	-179.4	-68.8	-15	0	0	0	111.6	I322 H323 F324 Q330	I322-N326 PolarHBondContact O-N 2.96Å; I322-N326 PolarHBondContact O-ND2 2.84Å; H323-N326 PolarHBondContact O-N 3.07Å; F324-N326 PolarHBondContact O-N 2.87Å; N326-Q330 WeakPolarHBondContact O-CB 3.46Å; N326-Q330 PolarHBondContact O-N 2.87Å
327	Y	95.2	Very high	95.4	Very high	26 Å²	26	48.6 Å²	48.6	10%	0.102	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-50.2	174.4	170.7	-97.6	0	0	0	112.2	V292 L295 K296 H323 F324 R325 T329 Q330 M331 L360	V292-Y327 HydrophobicContact CB-CD2 4.38Å; V292-Y327 HydrophobicContact CG1-CD2 4Å; V292-Y327 HydrophobicContact CG1-CE2 3.98Å; V292-Y327 HydrophobicContact CG2-CD2 4.08Å; L295-Y327 HydrophobicContact CB-CD1 4.42Å; L295-Y327 HydrophobicContact CB-CE1 3.83Å; L295-Y327 HydrophobicContact CB-CE2 4.31Å; L295-Y327 HydrophobicContact CD1-CD1 3.46Å; L295-Y327 VanDerWaalsContact CD1-CD1 3.46Å; L295-Y327 HydrophobicContact CD1-CD2 4.41Å; L295-Y327 HydrophobicContact CD1-CE1 3.72Å; L295-Y327 HydrophobicContact CD1-CG 3.83Å; L295-Y327 HydrophobicContact CG-CD1 4.5Å; L295-Y327 HydrophobicContact CG-CE1 4.31Å; K296-Y327 HydrophobicContact CG-CE2 4.05Å; H323-Y327 PolarHBondContact O-N 3.27Å; F324-Y327 PolarHBondContact O-N 2.59Å; R325-Y327 VanDerWaalsContact C-N 3.29Å; R325-Y327 PolarHBondContact O-N 3.12Å; Y327-T329 VanDerWaalsContact C-N 3.35Å; Y327-T329 PolarHBondContact O-N 2.98Å; Y327-Q330 PolarHBondContact O-N 2.87Å; Y327-M331 HydrophobicContact CE1-SD 4.24Å; Y327-M331 VanDerWaalsContact O-CB 3.28Å; Y327-M331 WeakPolarHBondContact O-CB 3.42Å; Y327-M331 PolarHBondContact O-N 2.96Å; Y327-L360 HydrophobicContact CE1-CD2 4.33Å
328	I	96.7	Very high	95.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-46.2	-179.4	-65	164.8	0	0	0	110.5	F324 R325 Q330 M331 G332 L360 L378 A381 Y382 F385	F324-I328 HydrophobicContact CD1-CD1 3.56Å; F324-I328 HydrophobicContact CD2-CD1 4.22Å; F324-I328 HydrophobicContact CE1-CD1 3.26Å; F324-I328 HydrophobicContact CE1-CG1 4.41Å; F324-I328 HydrophobicContact CE2-CD1 3.94Å; F324-I328 HydrophobicContact CE2-CG1 4.29Å; F324-I328 HydrophobicContact CG-CD1 4.06Å; F324-I328 HydrophobicContact CZ-CD1 3.48Å; F324-I328 VanDerWaalsContact CZ-CD1 3.48Å; F324-I328 HydrophobicContact CZ-CG1 4.26Å; F324-I328 VanDerWaalsContact O-CG1 3.31Å; F324-I328 WeakPolarHBondContact O-CG1 3.42Å; F324-I328 PolarHBondContact O-N 3.27Å; R325-I328 PolarHBondContact O-N 3.5Å; I328-Q330 VanDerWaalsContact C-N 3.35Å; I328-Q330 PolarHBondContact O-N 3.41Å; I328-M331 PolarHBondContact O-N 3.46Å; I328-G332 PolarHBondContact O-N 3.48Å; I328-L360 HydrophobicContact CD1-CD1 4.41Å; I328-L360 HydrophobicContact CG1-CD1 3.92Å; I328-L360 HydrophobicContact CG1-CD2 4.2Å; I328-L360 HydrophobicContact CG2-CD1 4.21Å; I328-L378 HydrophobicContact CD1-CB 4.46Å; I328-L378 HydrophobicContact CD1-CD1 3.78Å; I328-L378 HydrophobicContact CG1-CD1 4.47Å; I328-L378 HydrophobicContact CG2-CD1 4.19Å; I328-A381 HydrophobicContact CB-CB 4.01Å; I328-A381 HydrophobicContact CG2-CB 3.59Å; I328-Y382 HydrophobicContact CG2-CD2 4.1Å; I328-Y382 HydrophobicContact CG2-CE2 3.98Å; I328-F385 HydrophobicContact CG2-CD1 4.5Å; I328-F385 HydrophobicContact CG2-CE1 3.98Å
329	T	96.1	Very high	94.8	Very high	10 Å²	10	47.7 Å²	47.7	6%	0.061	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-45.8	178.6	-64.1	0	0	0	0	110.8	R325 Y327 G332 R333 E384	R325-T329 WeakPolarHBondContact O-CB 3.32Å; R325-T329 PolarHBondContact O-N 3.19Å; R325-T329 PolarHBondContact O-OG1 3.02Å; R325-T329 VanDerWaalsContact O-OG1 3.12Å; Y327-T329 VanDerWaalsContact C-N 3.35Å; Y327-T329 PolarHBondContact O-N 2.98Å; T329-G332 PolarHBondContact O-N 3.32Å; T329-R333 WeakPolarHBondContact O-CB 3.31Å; T329-R333 WeakPolarHBondContact O-CG 3.38Å; T329-R333 PolarHBondContact O-N 3.01Å; T329-E384 WeakPolarHBondContact CG2-OE1 3.45Å
330	Q	95	Very high	94.3	Very high	99 Å²	99	49.5 Å²	49.5	46%	0.463	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-47	178.4	-178.3	57.1	35.6	0	0	112.3	N326 Y327 I328 G332 R333 E334	N326-Q330 WeakPolarHBondContact O-CB 3.46Å; N326-Q330 PolarHBondContact O-N 2.87Å; Y327-Q330 PolarHBondContact O-N 2.87Å; I328-Q330 VanDerWaalsContact C-N 3.35Å; I328-Q330 PolarHBondContact O-N 3.41Å; Q330-G332 VanDerWaalsContact C-N 3.33Å; Q330-G332 PolarHBondContact O-N 3.43Å; Q330-R333 WeakPolarHBondContact O-CB 3.34Å; Q330-R333 PolarHBondContact O-N 3.3Å; Q330-E334 PolarHBondContact NE2-OE1 3.31Å; Q330-E334 WeakPolarHBondContact O-CG 3.17Å; Q330-E334 PolarHBondContact O-N 3.06Å
331	M	95.2	Very high	93.7	Very high	23 Å²	23	56.8 Å²	56.8	11%	0.113	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-45.1	176.7	-179.5	-154.1	73.6	0	0	111.3	Y327 I328 E334 M335 L360	Y327-M331 HydrophobicContact CE1-SD 4.24Å; Y327-M331 VanDerWaalsContact O-CB 3.28Å; Y327-M331 WeakPolarHBondContact O-CB 3.42Å; Y327-M331 PolarHBondContact O-N 2.96Å; I328-M331 PolarHBondContact O-N 3.46Å; M331-E334 PolarHBondContact O-N 3.46Å; M331-M335 HydrophobicContact CE-CE 4Å; M331-M335 HydrophobicContact CE-SD 4.28Å; M331-M335 HydrophobicContact CG-CE 3.71Å; M331-M335 WeakPolarHBondContact O-CG 3.26Å; M331-M335 PolarHBondContact O-N 3.41Å; M331-M335 HydrophobicContact SD-CE 3.87Å; M331-L360 HydrophobicContact CE-CD1 3.82Å; M331-L360 HydrophobicContact SD-CD1 4.45Å
332	G	95.2	Very high	93.3	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.8	-38	179.1	0	0	0	0	0	113	I328 T329 Q330 M335 V336 F385	I328-G332 PolarHBondContact O-N 3.48Å; T329-G332 PolarHBondContact O-N 3.32Å; Q330-G332 VanDerWaalsContact C-N 3.33Å; Q330-G332 PolarHBondContact O-N 3.43Å; G332-M335 PolarHBondContact O-N 2.94Å; G332-V336 WeakPolarHBondContact O-CG2 3.41Å; G332-V336 PolarHBondContact O-N 3.47Å; G332-F385 VanDerWaalsContact C-CD2 3.47Å; G332-F385 VanDerWaalsContact CA-CD2 3.47Å
333	R	94.9	Very high	92.9	Very high	76 Å²	76	57.2 Å²	57.2	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-57.3	-49.3	171.6	-77.2	178.7	-168.1	-109.4	7.1	111.4	T329 Q330 M335 V336 E337 E384 F385	T329-R333 WeakPolarHBondContact O-CB 3.31Å; T329-R333 WeakPolarHBondContact O-CG 3.38Å; T329-R333 PolarHBondContact O-N 3.01Å; Q330-R333 WeakPolarHBondContact O-CB 3.34Å; Q330-R333 PolarHBondContact O-N 3.3Å; R333-M335 PolarHBondContact O-N 2.81Å; R333-V336 PolarHBondContact O-N 3.37Å; R333-E337 VanDerWaalsContact O-CB 3.28Å; R333-E337 WeakPolarHBondContact O-CB 3.43Å; R333-E337 WeakPolarHBondContact O-CG 3.29Å; R333-E337 PolarHBondContact O-N 3.46Å; R333-E384 IonicContact CZ-OE1 2.82Å; R333-E384 IonicContact NH2-OE1 3.36Å; R333-E384 PolarHBondContact NH2-OE1 3.43Å; R333-F385 HydrophobicContact CG-CB 4.18Å
334	E	93.2	Very high	92.6	Very high	101 Å²	101	61 Å²	61	47%	0.472	31%	0.309	S	S	.	.	H	α-helix	trans	-60.5	-30.2	178	-71.9	169.7	-163.1	0	0	112.9	Q330 M331 K345	Q330-E334 PolarHBondContact NE2-OE1 3.31Å; Q330-E334 WeakPolarHBondContact O-CG 3.17Å; Q330-E334 PolarHBondContact O-N 3.06Å; M331-E334 PolarHBondContact O-N 3.46Å; E334-K345 WeakPolarHBondContact O-CE 3.28Å; E334-K345 PolarHBondContact O-NZ 3.45Å
335	M	93.4	Very high	92.3	Very high	42 Å²	42	63.9 Å²	63.9	21%	0.207	32%	0.321	C	S	.	.	H	α-helix	trans	-76.7	-40.1	176	-69.5	177.5	-174.7	0	0	113.1	M331 G332 R333 N352 L353	M331-M335 HydrophobicContact CE-CE 4Å; M331-M335 HydrophobicContact CE-SD 4.28Å; M331-M335 HydrophobicContact CG-CE 3.71Å; M331-M335 WeakPolarHBondContact O-CG 3.26Å; M331-M335 PolarHBondContact O-N 3.41Å; M331-M335 HydrophobicContact SD-CE 3.87Å; G332-M335 PolarHBondContact O-N 2.94Å; R333-M335 PolarHBondContact O-N 2.81Å; M335-N352 HydrophobicContact SD-CB 4.27Å; M335-L353 HydrophobicContact CB-CD2 4.32Å; M335-L353 HydrophobicContact SD-CD2 4.29Å
336	V	94.4	Very high	92	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-87.7	-39.6	-171.7	173.1	0	0	0	0	112.4	G332 R333 M349 L353 F385 R389 P393	G332-V336 WeakPolarHBondContact O-CG2 3.41Å; G332-V336 PolarHBondContact O-N 3.47Å; R333-V336 PolarHBondContact O-N 3.37Å; V336-M349 HydrophobicContact CG1-SD 4.5Å; V336-M349 HydrophobicContact CG2-SD 4.48Å; V336-L353 HydrophobicContact CG2-CD1 4.29Å; V336-L353 HydrophobicContact CG2-CD2 4.12Å; V336-F385 HydrophobicContact CG2-CD2 3.88Å; V336-F385 HydrophobicContact CG2-CE2 4.06Å; V336-R389 HydrophobicContact CG1-CB 3.44Å; V336-R389 VanDerWaalsContact CG1-CB 3.44Å; V336-R389 WeakPolarHBondContact O-CD 3.45Å; V336-R389 PolarHBondContact O-NH1 2.99Å; V336-P393 HydrophobicContact CG1-CG 4.4Å
337	E	91.2	Very high	91.7	Very high	91 Å²	91	66 Å²	66	43%	0.425	33%	0.325	S	S	.	.			trans	-67.2	134.5	177.6	-68.7	-178.2	173.4	0	0	110.6	R333 K345	R333-E337 VanDerWaalsContact O-CB 3.28Å; R333-E337 WeakPolarHBondContact O-CB 3.43Å; R333-E337 WeakPolarHBondContact O-CG 3.29Å; R333-E337 PolarHBondContact O-N 3.46Å; E337-K345 WeakPolarHBondContact O-CE 3.24Å; E337-K345 PolarHBondContact O-NZ 3.04Å
338	N	91	Very high	91.7	Very high	11 Å²	11	67.8 Å²	67.8	6%	0.059	34%	0.336	C	S	.	.			trans	-134.7	67.7	175.8	-171.3	7.6	0	0	0	110.6	T340 H341 D342 K345 D346	N338-T340 PolarHBondContact O-N 3.48Å; N338-T340 PolarHBondContact OD1-OG1 3.01Å; N338-H341 PolarHBondContact O-N 3.27Å; N338-H341 VanDerWaalsContact O-N 3.12Å; N338-H341 PolarHBondContact OD1-N 3.07Å; N338-D342 PolarHBondContact ND2-N 3.28Å; N338-D342 PolarHBondContact ND2-O 3.14Å; N338-D342 PolarHBondContact OD1-N 3.39Å; N338-K345 HydrophobicContact CB-CD 4.18Å; N338-D346 PolarHBondContact ND2-OD1 3.23Å
339	P	88.5	Confident	91.6	Very high	103 Å²	103	67.9 Å²	67.9	67%	0.669	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-24	-176.5	27.4	-34.8	0	0	0	112.8	H341	P339-H341 VanDerWaalsContact C-N 3.29Å
340	T	87.1	Confident	91.7	Very high	110 Å²	110	67.5 Å²	67.5	68%	0.675	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-3	177.5	52.7	0	0	0	0	113.4	N338 D342	N338-T340 PolarHBondContact O-N 3.48Å; N338-T340 PolarHBondContact OD1-OG1 3.01Å; T340-D342 PolarHBondContact O-N 2.68Å
341	H	84.2	Confident	91.7	Very high	154 Å²	154	66 Å²	66	71%	0.713	33%	0.327	S	S	*	.			trans	51.5	38.2	-174.5	-63.9	-79.2	0	0	0	113.5	N338 P339 P343	N338-H341 PolarHBondContact O-N 3.27Å; N338-H341 VanDerWaalsContact O-N 3.12Å; N338-H341 PolarHBondContact OD1-N 3.07Å; P339-H341 VanDerWaalsContact C-N 3.29Å; H341-P343 VanDerWaalsContact O-CD 3.29Å; H341-P343 WeakPolarHBondContact O-CD 3.4Å
342	D	88.3	Confident	91.8	Very high	65 Å²	65	68.1 Å²	68.1	35%	0.348	34%	0.339	S	S	.	.			trans	-73.2	117.5	178.9	174.8	13.8	0	0	0	110.9	N338 T340 E344 K345 D346	N338-D342 PolarHBondContact ND2-N 3.28Å; N338-D342 PolarHBondContact ND2-O 3.14Å; N338-D342 PolarHBondContact OD1-N 3.39Å; T340-D342 PolarHBondContact O-N 2.68Å; D342-E344 PolarHBondContact O-N 3.35Å; D342-E344 PolarHBondContact OD1-N 3.11Å; D342-K345 HydrophobicContact CB-CB 4.07Å; D342-K345 PolarHBondContact O-N 2.92Å; D342-K345 PolarHBondContact OD2-N 3.47Å; D342-D346 PolarHBondContact O-N 3.35Å
343	P	87.5	Confident	91.9	Very high	91 Å²	91	68.1 Å²	68.1	59%	0.591	34%	0.339	S	S	*	.	H	α-helix	trans	-63.6	-26.1	179	-21.2	33.7	0	0	0	114.2	H341 R347	H341-P343 VanDerWaalsContact O-CD 3.29Å; H341-P343 WeakPolarHBondContact O-CD 3.4Å; P343-R347 WeakPolarHBondContact O-CB 3.39Å; P343-R347 PolarHBondContact O-N 2.94Å; P343-R347 VanDerWaalsContact O-N 3.08Å
344	E	88.5	Confident	92	Very high	115 Å²	115	64.8 Å²	64.8	54%	0.537	33%	0.327	S	S	.	.	H	α-helix	trans	-74.6	-40	-179.9	-173.9	160.4	-163.4	0	0	111.4	D342 D346 R347 N348	D342-E344 PolarHBondContact O-N 3.35Å; D342-E344 PolarHBondContact OD1-N 3.11Å; E344-D346 VanDerWaalsContact C-N 3.33Å; E344-D346 PolarHBondContact O-N 2.95Å; E344-R347 PolarHBondContact O-N 3.34Å; E344-N348 PolarHBondContact O-N 3.49Å; E344-N348 PolarHBondContact O-ND2 3.08Å
345	K	90.8	Very high	92.1	Very high	59 Å²	59	63.9 Å²	63.9	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-56.6	-46.6	171.2	-169.1	172.8	-170.5	176.5	0	112	E334 E337 N338 D342 R347 N348 M349	E334-K345 WeakPolarHBondContact O-CE 3.28Å; E334-K345 PolarHBondContact O-NZ 3.45Å; E337-K345 WeakPolarHBondContact O-CE 3.24Å; E337-K345 PolarHBondContact O-NZ 3.04Å; N338-K345 HydrophobicContact CB-CD 4.18Å; D342-K345 HydrophobicContact CB-CB 4.07Å; D342-K345 PolarHBondContact O-N 2.92Å; D342-K345 PolarHBondContact OD2-N 3.47Å; K345-R347 PolarHBondContact O-N 2.81Å; K345-N348 PolarHBondContact O-N 3.3Å; K345-M349 PolarHBondContact O-N 3.26Å
346	D	90.9	Very high	92.2	Very high	32 Å²	32	62.4 Å²	62.4	17%	0.171	32%	0.319	C	S	.	.	H	α-helix	trans	-64.5	-39.6	178.2	-80.8	1	0	0	0	112.2	N338 D342 E344 N348 M349 R389 F396	N338-D346 PolarHBondContact ND2-OD1 3.23Å; D342-D346 PolarHBondContact O-N 3.35Å; E344-D346 VanDerWaalsContact C-N 3.33Å; E344-D346 PolarHBondContact O-N 2.95Å; D346-N348 VanDerWaalsContact C-N 3.34Å; D346-N348 PolarHBondContact O-N 2.9Å; D346-M349 PolarHBondContact O-N 2.99Å; D346-R389 VanDerWaalsContact CG-NH2 3.33Å; D346-R389 IonicContact OD1-CZ 3.77Å; D346-R389 VanDerWaalsContact OD1-CZ 3.31Å; D346-R389 IonicContact OD1-NH1 3.07Å; D346-R389 PolarHBondContact OD1-NH1 2.95Å; D346-R389 IonicContact OD1-NH2 2.73Å; D346-R389 PolarHBondContact OD1-NH2 3.43Å; D346-R389 IonicContact OD2-CZ 3.97Å; D346-R389 IonicContact OD2-NH1 2.9Å; D346-R389 IonicContact OD2-NH2 2.89Å; D346-R389 PolarHBondContact OD2-NH2 3.36Å; D346-F396 HydrophobicContact CB-CD2 4.37Å; D346-F396 HydrophobicContact CB-CE2 3.55Å; D346-F396 HydrophobicContact CB-CZ 3.66Å; D346-F396 VanDerWaalsContact CG-CZ 3.48Å; D346-F396 VanDerWaalsContact OD2-CZ 3.29Å; D346-F396 WeakPolarHBondContact OD2-CZ 3.45Å
347	R	89.2	Confident	92.3	Very high	178 Å²	178	63.8 Å²	63.8	67%	0.672	32%	0.324	S	S	*	.	H	α-helix	trans	-62.1	-40.8	176.9	-175.3	-176.5	-63.2	138.3	6.5	112.3	P343 E344 K345	P343-R347 WeakPolarHBondContact O-CB 3.39Å; P343-R347 PolarHBondContact O-N 2.94Å; P343-R347 VanDerWaalsContact O-N 3.08Å; E344-R347 PolarHBondContact O-N 3.34Å; K345-R347 PolarHBondContact O-N 2.81Å
348	N	93.8	Very high	92.4	Very high	63 Å²	63	61.7 Å²	61.7	34%	0.337	32%	0.316	S	S	.	.	H	α-helix	trans	-90.9	-7.5	-174.6	-64.7	-26.9	0	0	0	113.3	E344 K345 D346 I350 Q351 N352	E344-N348 PolarHBondContact O-N 3.49Å; E344-N348 PolarHBondContact O-ND2 3.08Å; K345-N348 PolarHBondContact O-N 3.3Å; D346-N348 VanDerWaalsContact C-N 3.34Å; D346-N348 PolarHBondContact O-N 2.9Å; N348-I350 PolarHBondContact O-N 3.41Å; N348-Q351 PolarHBondContact O-N 3.45Å; N348-N352 WeakPolarHBondContact O-CB 3.43Å; N348-N352 PolarHBondContact O-N 3.34Å; N348-N352 PolarHBondContact O-ND2 2.81Å
349	M	96	Very high	92.6	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-52.6	-53	-173.2	-172.3	-174	81.1	0	0	112.8	V336 K345 D346 Q351 N352 L353 P393 F396	V336-M349 HydrophobicContact CG1-SD 4.5Å; V336-M349 HydrophobicContact CG2-SD 4.48Å; K345-M349 PolarHBondContact O-N 3.26Å; D346-M349 PolarHBondContact O-N 2.99Å; M349-Q351 PolarHBondContact O-N 3.18Å; M349-N352 PolarHBondContact O-N 2.82Å; M349-L353 HydrophobicContact CE-CD1 4.47Å; M349-L353 HydrophobicContact CG-CD1 4.18Å; M349-L353 VanDerWaalsContact O-CG 3.26Å; M349-L353 WeakPolarHBondContact O-CG 3.36Å; M349-L353 PolarHBondContact O-N 3.25Å; M349-P393 HydrophobicContact CE-CB 4.07Å; M349-P393 HydrophobicContact CE-CG 4.27Å; M349-F396 HydrophobicContact CE-CB 3.96Å; M349-F396 HydrophobicContact CE-CD2 3.52Å; M349-F396 HydrophobicContact CE-CE2 4.48Å; M349-F396 HydrophobicContact CE-CG 4.22Å; M349-F396 HydrophobicContact SD-CD2 3.98Å; M349-F396 HydrophobicContact SD-CE2 4.48Å
350	I	97	Very high	93	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-42.4	-177.5	-58.6	-58.8	0	0	0	111.4	N348 N352 L353 L354 F396 L397 Y400 L427	N348-I350 PolarHBondContact O-N 3.41Å; I350-N352 PolarHBondContact O-N 2.88Å; I350-L353 HydrophobicContact CD1-CD1 4.39Å; I350-L353 PolarHBondContact O-N 3.02Å; I350-L354 HydrophobicContact CG2-CD1 4.08Å; I350-L354 HydrophobicContact CG2-CG 4.41Å; I350-L354 VanDerWaalsContact O-CG 3.27Å; I350-L354 WeakPolarHBondContact O-CG 3.48Å; I350-L354 PolarHBondContact O-N 3.08Å; I350-F396 HydrophobicContact CD1-CB 4.17Å; I350-F396 HydrophobicContact CG1-CB 3.94Å; I350-L397 HydrophobicContact CD1-CB 4.01Å; I350-L397 HydrophobicContact CD1-CD1 4.37Å; I350-L397 HydrophobicContact CG2-CD1 3.76Å; I350-Y400 HydrophobicContact CB-CD2 3.97Å; I350-Y400 HydrophobicContact CB-CG 3.96Å; I350-Y400 HydrophobicContact CG2-CD1 3.67Å; I350-Y400 HydrophobicContact CG2-CD2 3.97Å; I350-Y400 HydrophobicContact CG2-CE1 4.07Å; I350-Y400 HydrophobicContact CG2-CE2 4.34Å; I350-Y400 HydrophobicContact CG2-CG 3.62Å; I350-L427 HydrophobicContact CG2-CD1 4.23Å
351	Q	95.7	Very high	93.3	Very high	66 Å²	66	52.9 Å²	52.9	31%	0.308	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-46.4	176.9	-172.6	62.4	54.9	0	0	111.2	N348 M349 L353 L354 D355 Y400	N348-Q351 PolarHBondContact O-N 3.45Å; M349-Q351 PolarHBondContact O-N 3.18Å; Q351-L353 VanDerWaalsContact C-N 3.3Å; Q351-L353 PolarHBondContact O-N 3.43Å; Q351-L354 PolarHBondContact O-N 3.46Å; Q351-D355 PolarHBondContact NE2-OD1 3.12Å; Q351-D355 PolarHBondContact NE2-OD2 3.28Å; Q351-D355 VanDerWaalsContact O-CG 3.24Å; Q351-D355 PolarHBondContact O-N 3.29Å; Q351-Y400 HydrophobicContact CB-CE2 4.32Å; Q351-Y400 PolarHBondContact OE1-OH 3.39Å
352	N	96.3	Very high	93.8	Very high	69 Å²	69	51.5 Å²	51.5	37%	0.369	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-37.8	177.9	-66.8	-16.1	0	0	0	112.1	M335 N348 M349 I350 S356	M335-N352 HydrophobicContact SD-CB 4.27Å; N348-N352 WeakPolarHBondContact O-CB 3.43Å; N348-N352 PolarHBondContact O-N 3.34Å; N348-N352 PolarHBondContact O-ND2 2.81Å; M349-N352 PolarHBondContact O-N 2.82Å; I350-N352 PolarHBondContact O-N 2.88Å; N352-S356 VanDerWaalsContact O-CB 3.23Å; N352-S356 WeakPolarHBondContact O-CB 3.21Å; N352-S356 PolarHBondContact O-N 2.65Å; N352-S356 PolarHBondContact O-OG 3.19Å
353	L	97.5	Very high	94	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-39.9	175.5	-71.7	175.3	0	0	0	112.4	M335 V336 M349 I350 Q351 S356 R357 Y382 F385 I386 L427	M335-L353 HydrophobicContact CB-CD2 4.32Å; M335-L353 HydrophobicContact SD-CD2 4.29Å; V336-L353 HydrophobicContact CG2-CD1 4.29Å; V336-L353 HydrophobicContact CG2-CD2 4.12Å; M349-L353 HydrophobicContact CE-CD1 4.47Å; M349-L353 HydrophobicContact CG-CD1 4.18Å; M349-L353 VanDerWaalsContact O-CG 3.26Å; M349-L353 WeakPolarHBondContact O-CG 3.36Å; M349-L353 PolarHBondContact O-N 3.25Å; I350-L353 HydrophobicContact CD1-CD1 4.39Å; I350-L353 PolarHBondContact O-N 3.02Å; Q351-L353 VanDerWaalsContact C-N 3.3Å; Q351-L353 PolarHBondContact O-N 3.43Å; L353-S356 WeakPolarHBondContact CA-OG 3.32Å; L353-S356 PolarHBondContact O-OG 3.22Å; L353-S356 VanDerWaalsContact O-OG 3.06Å; L353-R357 VanDerWaalsContact O-CB 3.28Å; L353-R357 WeakPolarHBondContact O-CB 3.42Å; L353-R357 PolarHBondContact O-N 3.18Å; L353-R357 VanDerWaalsContact O-N 3.15Å; L353-Y382 PolarHBondContact O-OH 3.34Å; L353-F385 HydrophobicContact CD2-CE2 3.52Å; L353-F385 HydrophobicContact CD2-CZ 3.97Å; L353-I386 HydrophobicContact CD1-CD1 4.17Å; L353-I386 HydrophobicContact CD1-CG1 4.44Å; L353-L427 HydrophobicContact CB-CD1 3.9Å; L353-L427 HydrophobicContact CB-CD2 4.35Å
354	L	96.7	Very high	94.3	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-50.6	176.2	-66.8	170.7	0	0	0	110.9	I350 Q351 S356 R357 D358 Y400 K423 L427	I350-L354 HydrophobicContact CG2-CD1 4.08Å; I350-L354 HydrophobicContact CG2-CG 4.41Å; I350-L354 VanDerWaalsContact O-CG 3.27Å; I350-L354 WeakPolarHBondContact O-CG 3.48Å; I350-L354 PolarHBondContact O-N 3.08Å; Q351-L354 PolarHBondContact O-N 3.46Å; L354-S356 PolarHBondContact O-N 2.72Å; L354-R357 PolarHBondContact O-N 3.36Å; L354-D358 PolarHBondContact O-N 3.08Å; L354-Y400 HydrophobicContact CD1-CE1 3.81Å; L354-K423 HydrophobicContact CD2-CB 3.67Å; L354-L427 HydrophobicContact CD2-CD1 3.42Å; L354-L427 VanDerWaalsContact CD2-CD1 3.42Å; L354-L427 HydrophobicContact CD2-CG 3.78Å; L354-L427 HydrophobicContact CG-CD1 3.69Å
355	D	96	Very high	94.6	Very high	82 Å²	82	42.6 Å²	42.6	44%	0.439	21%	0.207	S	C	.	.	H	α-helix	trans	-64	-41.4	-176.7	-66.1	-17	0	0	0	111.9	Q351 F359	Q351-D355 PolarHBondContact NE2-OD1 3.12Å; Q351-D355 PolarHBondContact NE2-OD2 3.28Å; Q351-D355 VanDerWaalsContact O-CG 3.24Å; Q351-D355 PolarHBondContact O-N 3.29Å; D355-F359 WeakPolarHBondContact O-CB 3.42Å; D355-F359 PolarHBondContact O-N 2.92Å
356	S	95.4	Very high	94.7	Very high	11 Å²	11	42.8 Å²	42.8	8%	0.077	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-37.6	176	56.8	0	0	0	0	112.2	N352 L353 L354 F359 L360 Y382	N352-S356 VanDerWaalsContact O-CB 3.23Å; N352-S356 WeakPolarHBondContact O-CB 3.21Å; N352-S356 PolarHBondContact O-N 2.65Å; N352-S356 PolarHBondContact O-OG 3.19Å; L353-S356 WeakPolarHBondContact CA-OG 3.32Å; L353-S356 PolarHBondContact O-OG 3.22Å; L353-S356 VanDerWaalsContact O-OG 3.06Å; L354-S356 PolarHBondContact O-N 2.72Å; S356-F359 PolarHBondContact O-N 2.86Å; S356-L360 WeakPolarHBondContact O-CB 3.48Å; S356-L360 VanDerWaalsContact O-CG 3.24Å; S356-L360 WeakPolarHBondContact O-CG 3.48Å; S356-L360 PolarHBondContact O-N 3.22Å; S356-Y382 PolarHBondContact OG-OH 3.48Å
357	R	95.8	Very high	94.9	Very high	31 Å²	31	41.4 Å²	41.4	12%	0.117	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-45.3	178.2	-173.1	-169.8	169.6	-76.5	-9	110.9	L353 L354 F359 L360 S361 Y382 I426	L353-R357 VanDerWaalsContact O-CB 3.28Å; L353-R357 WeakPolarHBondContact O-CB 3.42Å; L353-R357 PolarHBondContact O-N 3.18Å; L353-R357 VanDerWaalsContact O-N 3.15Å; L354-R357 PolarHBondContact O-N 3.36Å; R357-F359 VanDerWaalsContact C-N 3.31Å; R357-L360 PolarHBondContact O-N 3.46Å; R357-S361 WeakPolarHBondContact O-CB 3.44Å; R357-S361 PolarHBondContact O-N 2.7Å; R357-S361 PolarHBondContact O-OG 3.36Å; R357-Y382 WeakPolarHBondContact CA-OH 3.39Å; R357-Y382 HydrophobicContact CB-CE1 3.89Å; R357-Y382 WeakPolarHBondContact CB-OH 3.19Å; R357-Y382 HydrophobicContact CG-CE1 4.25Å; R357-Y382 PolarHBondContact N-OH 3.42Å; R357-I426 VanDerWaalsContact NE-CG2 3.3Å
358	D	95	Very high	95.2	Very high	46 Å²	46	33 Å²	33	25%	0.246	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-45.8	178.7	-73.8	-11.4	0	0	0	110.3	L354 S361 E362 K423	L354-D358 PolarHBondContact O-N 3.08Å; D358-S361 PolarHBondContact O-N 2.86Å; D358-E362 WeakPolarHBondContact O-CB 3.42Å; D358-E362 PolarHBondContact O-N 3.25Å; D358-K423 VanDerWaalsContact OD2-CE 3.3Å; D358-K423 WeakPolarHBondContact OD2-CE 3.35Å; D358-K423 IonicContact OD2-NZ 3.23Å; D358-K423 PolarHBondContact OD2-NZ 2.87Å
359	F	95.1	Very high	95.1	Very high	20 Å²	20	34.5 Å²	34.5	9%	0.088	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-49.4	175	171	-111.1	0	0	0	112.8	L295 K298 D355 S356 R357 S361 E362 I363	L295-F359 VanDerWaalsContact O-CE1 3.29Å; L295-F359 WeakPolarHBondContact O-CE1 2.94Å; L295-F359 VanDerWaalsContact O-CZ 3.24Å; L295-F359 WeakPolarHBondContact O-CZ 3.25Å; K298-F359 HydrophobicContact CB-CE2 3.72Å; K298-F359 HydrophobicContact CB-CZ 4.03Å; K298-F359 HydrophobicContact CD-CD2 3.76Å; K298-F359 HydrophobicContact CD-CE2 3.51Å; K298-F359 HydrophobicContact CD-CZ 4.19Å; K298-F359 HydrophobicContact CG-CD2 4.11Å; K298-F359 HydrophobicContact CG-CE1 4.48Å; K298-F359 HydrophobicContact CG-CE2 3.37Å; K298-F359 HydrophobicContact CG-CZ 3.59Å; D355-F359 WeakPolarHBondContact O-CB 3.42Å; D355-F359 PolarHBondContact O-N 2.92Å; S356-F359 PolarHBondContact O-N 2.86Å; R357-F359 VanDerWaalsContact C-N 3.31Å; F359-S361 VanDerWaalsContact C-N 3.29Å; F359-S361 PolarHBondContact O-N 2.93Å; F359-E362 WeakPolarHBondContact O-CB 3.48Å; F359-E362 PolarHBondContact O-N 3.36Å; F359-I363 HydrophobicContact CD2-CG1 4.12Å; F359-I363 HydrophobicContact CE1-CG1 4.12Å; F359-I363 HydrophobicContact CE2-CD1 3.72Å; F359-I363 HydrophobicContact CE2-CG1 3.53Å; F359-I363 HydrophobicContact CZ-CD1 3.91Å; F359-I363 HydrophobicContact CZ-CG1 3.54Å; F359-I363 WeakPolarHBondContact O-CG1 3.28Å; F359-I363 PolarHBondContact O-N 2.94Å
360	L	95.6	Very high	94.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.4	-33.9	-179.8	-70.7	167.4	0	0	0	112.4	F324 Y327 I328 M331 S356 R357 T364 L378 Y382	F324-L360 HydrophobicContact CE2-CD2 3.91Å; F324-L360 HydrophobicContact CZ-CD2 4.04Å; Y327-L360 HydrophobicContact CE1-CD2 4.33Å; I328-L360 HydrophobicContact CD1-CD1 4.41Å; I328-L360 HydrophobicContact CG1-CD1 3.92Å; I328-L360 HydrophobicContact CG1-CD2 4.2Å; I328-L360 HydrophobicContact CG2-CD1 4.21Å; M331-L360 HydrophobicContact CE-CD1 3.82Å; M331-L360 HydrophobicContact SD-CD1 4.45Å; S356-L360 WeakPolarHBondContact O-CB 3.48Å; S356-L360 VanDerWaalsContact O-CG 3.24Å; S356-L360 WeakPolarHBondContact O-CG 3.48Å; S356-L360 PolarHBondContact O-N 3.22Å; R357-L360 PolarHBondContact O-N 3.46Å; L360-T364 PolarHBondContact O-N 3.4Å; L360-T364 PolarHBondContact O-OG1 3.16Å; L360-L378 HydrophobicContact CB-CD1 3.81Å; L360-L378 HydrophobicContact CB-CD2 4.15Å; L360-L378 HydrophobicContact CD1-CD1 3.67Å; L360-L378 HydrophobicContact CG-CD1 4.37Å; L360-Y382 HydrophobicContact CD1-CE2 4.17Å
361	S	94	Very high	94.6	Very high	19 Å²	19	40.7 Å²	40.7	13%	0.133	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-44	174.2	-56.4	0	0	0	0	110.8	R357 D358 F359 T364 V365	R357-S361 WeakPolarHBondContact O-CB 3.44Å; R357-S361 PolarHBondContact O-N 2.7Å; R357-S361 PolarHBondContact O-OG 3.36Å; D358-S361 PolarHBondContact O-N 2.86Å; F359-S361 VanDerWaalsContact C-N 3.29Å; F359-S361 PolarHBondContact O-N 2.93Å; S361-T364 PolarHBondContact O-N 2.77Å; S361-V365 WeakPolarHBondContact O-CG2 3.37Å; S361-V365 PolarHBondContact O-N 3.25Å; S361-V365 VanDerWaalsContact O-N 3.08Å
362	E	94.7	Very high	94.5	Very high	125 Å²	125	42.4 Å²	42.4	58%	0.584	24%	0.243	S	C	*	.	H	α-helix	trans	-61.7	-44.2	175.8	-175.3	-175.8	-178.6	0	0	112	D358 F359 T364 V365 S366	D358-E362 WeakPolarHBondContact O-CB 3.42Å; D358-E362 PolarHBondContact O-N 3.25Å; F359-E362 WeakPolarHBondContact O-CB 3.48Å; F359-E362 PolarHBondContact O-N 3.36Å; E362-T364 VanDerWaalsContact C-N 3.3Å; E362-T364 PolarHBondContact O-N 2.93Å; E362-V365 PolarHBondContact O-N 3.03Å; E362-S366 VanDerWaalsContact O-CB 3.32Å; E362-S366 WeakPolarHBondContact O-CB 3.43Å; E362-S366 PolarHBondContact O-N 2.95Å; E362-S366 PolarHBondContact O-OG 3.47Å
363	I	93.7	Very high	94.4	Very high	2 Å²	2	40 Å²	40	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-41.6	175.1	-69.3	-59	0	0	0	111.1	L295 T300 L303 F359 V365 S366 C367 F368	L295-I363 HydrophobicContact CD2-CG2 4.08Å; T300-I363 HydrophobicContact CG2-CD1 3.84Å; L303-I363 HydrophobicContact CD1-CD1 3.87Å; L303-I363 HydrophobicContact CD1-CG1 4.49Å; L303-I363 HydrophobicContact CD1-CG2 3.99Å; F359-I363 HydrophobicContact CD2-CG1 4.12Å; F359-I363 HydrophobicContact CE1-CG1 4.12Å; F359-I363 HydrophobicContact CE2-CD1 3.72Å; F359-I363 HydrophobicContact CE2-CG1 3.53Å; F359-I363 HydrophobicContact CZ-CD1 3.91Å; F359-I363 HydrophobicContact CZ-CG1 3.54Å; F359-I363 WeakPolarHBondContact O-CG1 3.28Å; F359-I363 PolarHBondContact O-N 2.94Å; I363-V365 VanDerWaalsContact C-N 3.33Å; I363-V365 PolarHBondContact O-N 3.33Å; I363-S366 PolarHBondContact O-N 3.26Å; I363-C367 HydrophobicContact CG2-CB 4.19Å; I363-C367 WeakPolarHBondContact O-CA 3.41Å; I363-C367 VanDerWaalsContact O-CB 3.26Å; I363-C367 WeakPolarHBondContact O-CB 3.04Å; I363-C367 PolarHBondContact O-N 3.35Å; I363-F368 HydrophobicContact CG2-CD2 4.39Å; I363-F368 HydrophobicContact CG2-CE2 3.88Å; I363-F368 HydrophobicContact CG2-CZ 4Å; I363-F368 PolarHBondContact O-N 3.01Å
364	T	93.6	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-42.6	178.9	-57.9	0	0	0	0	111.5	L360 S361 E362 F368 N370 F374 M375	L360-T364 PolarHBondContact O-N 3.4Å; L360-T364 PolarHBondContact O-OG1 3.16Å; S361-T364 PolarHBondContact O-N 2.77Å; E362-T364 VanDerWaalsContact C-N 3.3Å; E362-T364 PolarHBondContact O-N 2.93Å; T364-F368 CarbonylContact O-C 3.58Å; T364-F368 PolarHBondContact O-N 3.07Å; T364-N370 WeakPolarHBondContact O-CA 3.09Å; T364-N370 PolarHBondContact O-N 3.36Å; T364-N370 VanDerWaalsContact O-N 3.08Å; T364-F374 HydrophobicContact CG2-CB 3.58Å; T364-M375 HydrophobicContact CG2-CG 3.8Å; T364-M375 HydrophobicContact CG2-SD 3.75Å
365	V	93.8	Very high	94.2	Very high	83 Å²	83	41.8 Å²	41.8	50%	0.503	24%	0.24	S	C	.	.	H	α-helix	trans	-69.1	-47.9	177.9	175.1	0	0	0	0	111.6	S361 E362 I363 N370	S361-V365 WeakPolarHBondContact O-CG2 3.37Å; S361-V365 PolarHBondContact O-N 3.25Å; S361-V365 VanDerWaalsContact O-N 3.08Å; E362-V365 PolarHBondContact O-N 3.03Å; I363-V365 VanDerWaalsContact C-N 3.33Å; I363-V365 PolarHBondContact O-N 3.33Å; V365-N370 PolarHBondContact O-N 2.73Å
366	S	93.8	Very high	94.2	Very high	63 Å²	63	44.7 Å²	44.7	44%	0.441	25%	0.245	S	C	.	.	H	α-helix	trans	-82.3	-38.1	-170.5	59.1	0	0	0	0	114.2	E362 I363	E362-S366 VanDerWaalsContact O-CB 3.32Å; E362-S366 WeakPolarHBondContact O-CB 3.43Å; E362-S366 PolarHBondContact O-N 2.95Å; E362-S366 PolarHBondContact O-OG 3.47Å; I363-S366 PolarHBondContact O-N 3.26Å
367	C	94.9	Very high	94.3	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.02	24%	0.244	C	C	.	.	H	α-helix	trans	-105.8	-31.6	-170.4	-56	0	0	0	0	112.9	L303 I363	L303-C367 HydrophobicContact CB-CB 3.85Å; I363-C367 HydrophobicContact CG2-CB 4.19Å; I363-C367 WeakPolarHBondContact O-CA 3.41Å; I363-C367 VanDerWaalsContact O-CB 3.26Å; I363-C367 WeakPolarHBondContact O-CB 3.04Å; I363-C367 PolarHBondContact O-N 3.35Å
368	F	94.8	Very high	94.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-106.7	29.7	-176.1	-53.3	-27.9	0	0	0	112.7	L303 F307 F324 I363 T364 N370 D371 F374	L303-F368 HydrophobicContact CB-CE1 4.36Å; L303-F368 HydrophobicContact CD2-CZ 4.45Å; F307-F368 HydrophobicContact CB-CD1 3.82Å; F307-F368 HydrophobicContact CB-CE1 4.26Å; F307-F368 HydrophobicContact CD2-CB 3.95Å; F307-F368 AromaticContact CD2-CD1 3.6Å; F307-F368 HydrophobicContact CD2-CD1 3.6Å; F307-F368 HydrophobicContact CD2-CE1 4.46Å; F307-F368 HydrophobicContact CD2-CG 4.06Å; F307-F368 HydrophobicContact CE2-CB 3.9Å; F307-F368 HydrophobicContact CE2-CD1 4.4Å; F307-F368 HydrophobicContact CE2-CG 4.44Å; F307-F368 HydrophobicContact CG-CB 4.49Å; F307-F368 AromaticContact CG-CD1 3.86Å; F307-F368 HydrophobicContact CG-CD1 3.86Å; F307-F368 HydrophobicContact CZ-CB 4.41Å; F324-F368 HydrophobicContact CD2-CE2 4.07Å; F324-F368 AromaticContact CE2-CE2 3.87Å; F324-F368 HydrophobicContact CE2-CE2 3.87Å; F324-F368 HydrophobicContact CG-CE2 4.49Å; F324-F368 HydrophobicContact CZ-CE2 4.09Å; I363-F368 HydrophobicContact CG2-CD2 4.39Å; I363-F368 HydrophobicContact CG2-CE2 3.88Å; I363-F368 HydrophobicContact CG2-CZ 4Å; I363-F368 PolarHBondContact O-N 3.01Å; T364-F368 CarbonylContact O-C 3.58Å; T364-F368 PolarHBondContact O-N 3.07Å; F368-N370 PolarHBondContact O-N 2.99Å; F368-D371 WeakPolarHBondContact O-CB 3.42Å; F368-D371 PolarHBondContact O-N 2.94Å; F368-F374 HydrophobicContact CB-CD2 4.31Å; F368-F374 HydrophobicContact CB-CE2 4.48Å; F368-F374 HydrophobicContact CB-CG 4.4Å; F368-F374 HydrophobicContact CD2-CB 4.49Å; F368-F374 AromaticContact CD2-CD1 3.58Å; F368-F374 HydrophobicContact CD2-CD1 3.58Å; F368-F374 AromaticContact CD2-CE1 3.87Å; F368-F374 HydrophobicContact CD2-CE1 3.87Å; F368-F374 AromaticContact CD2-CG 3.99Å; F368-F374 HydrophobicContact CD2-CG 3.99Å; F368-F374 HydrophobicContact CD2-CZ 4.5Å; F368-F374 AromaticContact CE2-CD1 3.98Å; F368-F374 HydrophobicContact CE2-CD1 3.98Å; F368-F374 HydrophobicContact CE2-CE1 4.09Å; F368-F374 HydrophobicContact CG-CD1 4.33Å; F368-F374 HydrophobicContact CG-CE1 4.36Å
369	S	91.6	Very high	94.3	Very high	95 Å²	95	45.2 Å²	45.2	66%	0.664	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	29	176.9	-59.5	0	0	0	0	114.7	F307 D371	F307-S369 WeakPolarHBondContact CE1-OG 3.24Å; S369-D371 PolarHBondContact O-N 2.87Å
370	N	91.5	Very high	94.3	Very high	92 Å²	92	47.9 Å²	47.9	49%	0.492	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	36.5	-175.6	-166.6	37.5	0	0	0	113.3	T364 V365 F368 P372	T364-N370 WeakPolarHBondContact O-CA 3.09Å; T364-N370 PolarHBondContact O-N 3.36Å; T364-N370 VanDerWaalsContact O-N 3.08Å; V365-N370 PolarHBondContact O-N 2.73Å; F368-N370 PolarHBondContact O-N 2.99Å; N370-P372 WeakPolarHBondContact O-CD 3.23Å
371	D	91.1	Very high	94.4	Very high	43 Å²	43	47.9 Å²	47.9	23%	0.23	26%	0.259	C	S	.	.			trans	-65.8	118.3	177.6	179.7	-24.9	0	0	0	109.9	F368 S369 S373 F374	F368-D371 WeakPolarHBondContact O-CB 3.42Å; F368-D371 PolarHBondContact O-N 2.94Å; S369-D371 PolarHBondContact O-N 2.87Å; D371-S373 PolarHBondContact O-N 2.95Å; D371-S373 VanDerWaalsContact O-N 3.11Å; D371-S373 WeakPolarHBondContact OD1-CB 3.24Å; D371-S373 PolarHBondContact OD1-N 3.25Å; D371-S373 PolarHBondContact OD1-OG 3.32Å; D371-S373 PolarHBondContact OD2-OG 3.19Å; D371-F374 HydrophobicContact CB-CD2 3.84Å; D371-F374 HydrophobicContact CB-CE2 4.38Å; D371-F374 PolarHBondContact O-N 3.15Å; D371-F374 VanDerWaalsContact O-N 3.08Å
372	P	93.2	Very high	94.5	Very high	101 Å²	101	47 Å²	47	66%	0.656	25%	0.253	S	S	*	.	H	α-helix	trans	-63.4	-21.1	-175.8	26.5	-35.3	0	0	0	113.1	N370 F374 M375 R376	N370-P372 WeakPolarHBondContact O-CD 3.23Å; P372-F374 VanDerWaalsContact C-N 3.3Å; P372-F374 PolarHBondContact O-N 3.03Å; P372-M375 PolarHBondContact O-N 3.2Å; P372-R376 PolarHBondContact O-N 2.69Å
373	S	94.5	Very high	94.5	Very high	18 Å²	18	45.5 Å²	45.5	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-32	176.4	70	0	0	0	0	112.3	R321 D371 R376 V377	R321-S373 WeakPolarHBondContact CD-OG 3.48Å; R321-S373 PolarHBondContact NH1-OG 3.47Å; R321-S373 VanDerWaalsContact NH1-OG 3.07Å; D371-S373 PolarHBondContact O-N 2.95Å; D371-S373 VanDerWaalsContact O-N 3.11Å; D371-S373 WeakPolarHBondContact OD1-CB 3.24Å; D371-S373 PolarHBondContact OD1-N 3.25Å; D371-S373 PolarHBondContact OD1-OG 3.32Å; D371-S373 PolarHBondContact OD2-OG 3.19Å; S373-R376 PolarHBondContact O-N 3.37Å; S373-V377 WeakPolarHBondContact O-CG2 3.4Å; S373-V377 PolarHBondContact O-N 3.18Å; S373-V377 VanDerWaalsContact O-N 3.07Å
374	F	96.2	Very high	94.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-72.5	-36.8	173.9	-76.8	-94.4	0	0	0	112	F307 I317 L320 R321 F324 T364 F368 D371 P372 R376 V377 L378	F307-F374 HydrophobicContact CD2-CZ 4.48Å; F307-F374 AromaticContact CE2-CE2 3.89Å; F307-F374 HydrophobicContact CE2-CE2 3.89Å; F307-F374 HydrophobicContact CE2-CZ 4.21Å; I317-F374 HydrophobicContact CG2-CE2 3.91Å; I317-F374 HydrophobicContact CG2-CZ 4.29Å; L320-F374 HydrophobicContact CB-CZ 4.48Å; L320-F374 HydrophobicContact CD2-CE1 4.37Å; L320-F374 HydrophobicContact CD2-CZ 3.93Å; L320-F374 HydrophobicContact CG-CE1 4.09Å; L320-F374 HydrophobicContact CG-CZ 3.97Å; R321-F374 HydrophobicContact CG-CD1 4.12Å; R321-F374 HydrophobicContact CG-CD2 4.19Å; R321-F374 HydrophobicContact CG-CE1 3.75Å; R321-F374 HydrophobicContact CG-CE2 3.85Å; R321-F374 HydrophobicContact CG-CG 4.33Å; R321-F374 HydrophobicContact CG-CZ 3.61Å; F324-F374 HydrophobicContact CB-CE1 4.35Å; F324-F374 AromaticContact CD1-CD1 3.62Å; F324-F374 HydrophobicContact CD1-CD1 3.62Å; F324-F374 HydrophobicContact CD1-CE1 4.25Å; F324-F374 AromaticContact CE1-CD1 3.97Å; F324-F374 HydrophobicContact CE1-CD1 3.97Å; F324-F374 HydrophobicContact CG-CD1 4.19Å; F324-F374 HydrophobicContact CG-CE1 4.41Å; T364-F374 HydrophobicContact CG2-CB 3.58Å; F368-F374 HydrophobicContact CB-CD2 4.31Å; F368-F374 HydrophobicContact CB-CE2 4.48Å; F368-F374 HydrophobicContact CB-CG 4.4Å; F368-F374 HydrophobicContact CD2-CB 4.49Å; F368-F374 AromaticContact CD2-CD1 3.58Å; F368-F374 HydrophobicContact CD2-CD1 3.58Å; F368-F374 AromaticContact CD2-CE1 3.87Å; F368-F374 HydrophobicContact CD2-CE1 3.87Å; F368-F374 AromaticContact CD2-CG 3.99Å; F368-F374 HydrophobicContact CD2-CG 3.99Å; F368-F374 HydrophobicContact CD2-CZ 4.5Å; F368-F374 AromaticContact CE2-CD1 3.98Å; F368-F374 HydrophobicContact CE2-CD1 3.98Å; F368-F374 HydrophobicContact CE2-CE1 4.09Å; F368-F374 HydrophobicContact CG-CD1 4.33Å; F368-F374 HydrophobicContact CG-CE1 4.36Å; D371-F374 HydrophobicContact CB-CD2 3.84Å; D371-F374 HydrophobicContact CB-CE2 4.38Å; D371-F374 PolarHBondContact O-N 3.15Å; D371-F374 VanDerWaalsContact O-N 3.08Å; P372-F374 VanDerWaalsContact C-N 3.3Å; P372-F374 PolarHBondContact O-N 3.03Å; F374-R376 VanDerWaalsContact C-N 3.3Å; F374-R376 PolarHBondContact O-N 3.06Å; F374-V377 PolarHBondContact O-N 2.99Å; F374-L378 WeakPolarHBondContact O-CB 3.32Å; F374-L378 PolarHBondContact O-N 3.05Å
375	M	94.2	Very high	94.6	Very high	44 Å²	44	48.4 Å²	48.4	22%	0.217	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-37.6	173.2	-70	-59.6	-69	0	0	111.9	T364 P372 L378 Q379	T364-M375 HydrophobicContact CG2-CG 3.8Å; T364-M375 HydrophobicContact CG2-SD 3.75Å; P372-M375 PolarHBondContact O-N 3.2Å; M375-L378 WeakPolarHBondContact O-CB 3.47Å; M375-L378 PolarHBondContact O-N 3.23Å; M375-L378 HydrophobicContact SD-CD2 4.41Å; M375-Q379 WeakPolarHBondContact O-CG 3.07Å; M375-Q379 PolarHBondContact O-N 2.8Å; M375-Q379 VanDerWaalsContact O-N 3.07Å
376	R	95.8	Very high	94.7	Very high	143 Å²	143	44.4 Å²	44.4	54%	0.54	24%	0.236	S	C	.	.	H	α-helix	trans	-65.2	-45.8	173.8	-170	-178.3	67.2	-162	-3.2	111.6	P372 S373 F374 L378 Q379 E380	P372-R376 PolarHBondContact O-N 2.69Å; S373-R376 PolarHBondContact O-N 3.37Å; F374-R376 VanDerWaalsContact C-N 3.3Å; F374-R376 PolarHBondContact O-N 3.06Å; R376-L378 VanDerWaalsContact C-N 3.26Å; R376-L378 PolarHBondContact O-N 2.7Å; R376-Q379 PolarHBondContact O-N 3.44Å; R376-Q379 VanDerWaalsContact O-N 3.14Å; R376-E380 WeakPolarHBondContact CD-OE1 3.25Å; R376-E380 HydrophobicContact CG-CG 4.39Å; R376-E380 WeakPolarHBondContact CG-OE1 3.43Å; R376-E380 IonicContact NE-OE1 3.85Å; R376-E380 PolarHBondContact NE-OE1 2.98Å; R376-E380 WeakPolarHBondContact O-CG 3.18Å; R376-E380 PolarHBondContact O-N 2.99Å
377	V	96.8	Very high	94.6	Very high	10 Å²	10	43.4 Å²	43.4	6%	0.061	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-40.7	175.3	166.8	0	0	0	0	111.5	R321 F324 R325 S373 F374 A381	R321-V377 HydrophobicContact CB-CG2 4.28Å; R321-V377 HydrophobicContact CG-CG2 4.39Å; F324-V377 HydrophobicContact CD1-CG1 4.11Å; R325-V377 HydrophobicContact CB-CG1 3.56Å; R325-V377 HydrophobicContact CG-CG1 3.93Å; S373-V377 WeakPolarHBondContact O-CG2 3.4Å; S373-V377 PolarHBondContact O-N 3.18Å; S373-V377 VanDerWaalsContact O-N 3.07Å; F374-V377 PolarHBondContact O-N 2.99Å; V377-A381 VanDerWaalsContact O-CB 3.25Å; V377-A381 WeakPolarHBondContact O-CB 3.35Å; V377-A381 PolarHBondContact O-N 3.44Å
378	L	95.9	Very high	94.4	Very high	3 Å²	3	46 Å²	46	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-46.3	175.3	179.1	63.2	0	0	0	111.7	I328 L360 F374 M375 R376 A381 Y382	I328-L378 HydrophobicContact CD1-CB 4.46Å; I328-L378 HydrophobicContact CD1-CD1 3.78Å; I328-L378 HydrophobicContact CG1-CD1 4.47Å; I328-L378 HydrophobicContact CG2-CD1 4.19Å; L360-L378 HydrophobicContact CB-CD1 3.81Å; L360-L378 HydrophobicContact CB-CD2 4.15Å; L360-L378 HydrophobicContact CD1-CD1 3.67Å; L360-L378 HydrophobicContact CG-CD1 4.37Å; F374-L378 WeakPolarHBondContact O-CB 3.32Å; F374-L378 PolarHBondContact O-N 3.05Å; M375-L378 WeakPolarHBondContact O-CB 3.47Å; M375-L378 PolarHBondContact O-N 3.23Å; M375-L378 HydrophobicContact SD-CD2 4.41Å; R376-L378 VanDerWaalsContact C-N 3.26Å; R376-L378 PolarHBondContact O-N 2.7Å; L378-A381 PolarHBondContact O-N 2.81Å; L378-Y382 HydrophobicContact CD1-CD2 3.68Å; L378-Y382 HydrophobicContact CD1-CE2 3.42Å; L378-Y382 VanDerWaalsContact CD1-CE2 3.42Å; L378-Y382 HydrophobicContact CG-CD2 4.29Å; L378-Y382 HydrophobicContact CG-CE2 4.34Å; L378-Y382 VanDerWaalsContact O-CD2 3.25Å; L378-Y382 WeakPolarHBondContact O-CD2 3.38Å; L378-Y382 PolarHBondContact O-N 3.01Å
379	Q	95.1	Very high	94.2	Very high	85 Å²	85	47.9 Å²	47.9	40%	0.397	24%	0.244	S	C	.	.	H	α-helix	trans	-62.2	-51.3	177.7	-70.1	170.6	-0.7	0	0	111.7	M375 R376 A381 Y382 E383 F430	M375-Q379 WeakPolarHBondContact O-CG 3.07Å; M375-Q379 PolarHBondContact O-N 2.8Å; M375-Q379 VanDerWaalsContact O-N 3.07Å; R376-Q379 PolarHBondContact O-N 3.44Å; R376-Q379 VanDerWaalsContact O-N 3.14Å; Q379-A381 VanDerWaalsContact C-N 3.3Å; Q379-A381 PolarHBondContact O-N 3.37Å; Q379-Y382 PolarHBondContact O-N 3.49Å; Q379-Y382 VanDerWaalsContact O-N 3.16Å; Q379-E383 WeakPolarHBondContact O-CG 3.33Å; Q379-E383 PolarHBondContact O-N 2.91Å; Q379-F430 HydrophobicContact CB-CE1 4.09Å; Q379-F430 HydrophobicContact CG-CE1 4.06Å; Q379-F430 HydrophobicContact CG-CZ 4.18Å
380	E	95.5	Very high	93.8	Very high	76 Å²	76	48 Å²	48	36%	0.355	24%	0.242	S	C	.	.	H	α-helix	trans	-59.1	-40.2	179.1	-70.1	170.7	-170	0	0	111.9	R376 E384	R376-E380 WeakPolarHBondContact CD-OE1 3.25Å; R376-E380 HydrophobicContact CG-CG 4.39Å; R376-E380 WeakPolarHBondContact CG-OE1 3.43Å; R376-E380 IonicContact NE-OE1 3.85Å; R376-E380 PolarHBondContact NE-OE1 2.98Å; R376-E380 WeakPolarHBondContact O-CG 3.18Å; R376-E380 PolarHBondContact O-N 2.99Å; E380-E384 WeakPolarHBondContact O-CB 3.38Å; E380-E384 PolarHBondContact O-N 3.34Å
381	A	97.1	Very high	93.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67	-42.1	177.3	0	0	0	0	0	111.7	R325 I328 V377 L378 Q379 E384 F385	R325-A381 HydrophobicContact CG-CB 4.42Å; I328-A381 HydrophobicContact CB-CB 4.01Å; I328-A381 HydrophobicContact CG2-CB 3.59Å; V377-A381 VanDerWaalsContact O-CB 3.25Å; V377-A381 WeakPolarHBondContact O-CB 3.35Å; V377-A381 PolarHBondContact O-N 3.44Å; L378-A381 PolarHBondContact O-N 2.81Å; Q379-A381 VanDerWaalsContact C-N 3.3Å; Q379-A381 PolarHBondContact O-N 3.37Å; A381-E384 PolarHBondContact O-N 3.29Å; A381-F385 WeakPolarHBondContact O-CD1 3.09Å; A381-F385 PolarHBondContact O-N 2.83Å
382	Y	97.4	Very high	93.6	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-62.5	-44.6	175.6	-92.9	-109.9	0	0	0	112.1	I328 L353 S356 R357 L360 L378 Q379 E384 F385 I386 L427 F430	I328-Y382 HydrophobicContact CG2-CD2 4.1Å; I328-Y382 HydrophobicContact CG2-CE2 3.98Å; L353-Y382 PolarHBondContact O-OH 3.34Å; S356-Y382 PolarHBondContact OG-OH 3.48Å; R357-Y382 WeakPolarHBondContact CA-OH 3.39Å; R357-Y382 HydrophobicContact CB-CE1 3.89Å; R357-Y382 WeakPolarHBondContact CB-OH 3.19Å; R357-Y382 HydrophobicContact CG-CE1 4.25Å; R357-Y382 PolarHBondContact N-OH 3.42Å; L360-Y382 HydrophobicContact CD1-CE2 4.17Å; L378-Y382 HydrophobicContact CD1-CD2 3.68Å; L378-Y382 HydrophobicContact CD1-CE2 3.42Å; L378-Y382 VanDerWaalsContact CD1-CE2 3.42Å; L378-Y382 HydrophobicContact CG-CD2 4.29Å; L378-Y382 HydrophobicContact CG-CE2 4.34Å; L378-Y382 VanDerWaalsContact O-CD2 3.25Å; L378-Y382 WeakPolarHBondContact O-CD2 3.38Å; L378-Y382 PolarHBondContact O-N 3.01Å; Q379-Y382 PolarHBondContact O-N 3.49Å; Q379-Y382 VanDerWaalsContact O-N 3.16Å; Y382-E384 VanDerWaalsContact C-N 3.27Å; Y382-E384 PolarHBondContact O-N 3.33Å; Y382-F385 VanDerWaalsContact CA-CE1 3.47Å; Y382-F385 HydrophobicContact CD1-CE1 4.15Å; Y382-F385 HydrophobicContact CD1-CE2 4.38Å; Y382-F385 AromaticContact CD1-CZ 3.53Å; Y382-F385 HydrophobicContact CD1-CZ 3.53Å; Y382-F385 AromaticContact CD2-CE1 3.54Å; Y382-F385 HydrophobicContact CD2-CE1 3.54Å; Y382-F385 AromaticContact CD2-CZ 3.76Å; Y382-F385 HydrophobicContact CD2-CZ 3.76Å; Y382-F385 HydrophobicContact CE1-CE1 4.42Å; Y382-F385 AromaticContact CE1-CZ 3.66Å; Y382-F385 HydrophobicContact CE1-CZ 3.66Å; Y382-F385 AromaticContact CE2-CE1 3.83Å; Y382-F385 HydrophobicContact CE2-CE1 3.83Å; Y382-F385 AromaticContact CE2-CZ 3.86Å; Y382-F385 HydrophobicContact CE2-CZ 3.86Å; Y382-F385 AromaticContact CG-CE1 3.71Å; Y382-F385 HydrophobicContact CG-CE1 3.71Å; Y382-F385 AromaticContact CG-CZ 3.59Å; Y382-F385 HydrophobicContact CG-CZ 3.59Å; Y382-F385 AromaticContact CZ-CZ 3.81Å; Y382-I386 WeakPolarHBondContact O-CB 3.2Å; Y382-I386 WeakPolarHBondContact O-CG2 3.47Å; Y382-I386 PolarHBondContact O-N 2.9Å; Y382-L427 HydrophobicContact CD1-CD2 4.02Å; Y382-L427 HydrophobicContact CE1-CD2 4.03Å; Y382-F430 AromaticContact CD1-CD2 3.89Å; Y382-F430 HydrophobicContact CD1-CD2 3.89Å; Y382-F430 AromaticContact CD1-CE2 3.86Å; Y382-F430 HydrophobicContact CD1-CE2 3.86Å; Y382-F430 HydrophobicContact CG-CD2 4.13Å; Y382-F430 AromaticContact CG-CE2 3.97Å; Y382-F430 HydrophobicContact CG-CE2 3.97Å
383	E	94.1	Very high	93.7	Very high	94 Å²	94	40.9 Å²	40.9	44%	0.439	20%	0.197	S	C	.	.	H	α-helix	trans	-59.3	-38.5	173.8	-71.4	173.8	-172.5	0	0	111.7	Q379 N387 F430	Q379-E383 WeakPolarHBondContact O-CG 3.33Å; Q379-E383 PolarHBondContact O-N 2.91Å; E383-N387 PolarHBondContact O-ND2 3.21Å; E383-F430 HydrophobicContact CG-CB 4.03Å; E383-F430 HydrophobicContact CG-CD1 3.59Å; E383-F430 HydrophobicContact CG-CE1 4.44Å; E383-F430 HydrophobicContact CG-CG 4.17Å
384	E	94	Very high	93.7	Very high	62 Å²	62	40.1 Å²	40.1	29%	0.29	19%	0.192	S	C	.	.	H	α-helix	trans	-68.5	-54.3	178.1	-171	-165.7	138.7	0	0	112.3	R325 T329 R333 E380 A381 Y382 Q388	R325-E384 IonicContact CZ-OE2 3.82Å; R325-E384 IonicContact NH1-OE2 2.69Å; R325-E384 PolarHBondContact NH1-OE2 3.36Å; R325-E384 IonicContact NH2-OE2 2.77Å; R325-E384 PolarHBondContact NH2-OE2 3.36Å; T329-E384 WeakPolarHBondContact CG2-OE1 3.45Å; R333-E384 IonicContact CZ-OE1 2.82Å; R333-E384 IonicContact NH2-OE1 3.36Å; R333-E384 PolarHBondContact NH2-OE1 3.43Å; E380-E384 WeakPolarHBondContact O-CB 3.38Å; E380-E384 PolarHBondContact O-N 3.34Å; A381-E384 PolarHBondContact O-N 3.29Å; Y382-E384 VanDerWaalsContact C-N 3.27Å; Y382-E384 PolarHBondContact O-N 3.33Å; E384-Q388 WeakPolarHBondContact O-CG 3.46Å; E384-Q388 PolarHBondContact O-NE2 3Å
385	F	95.8	Very high	93.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-79.4	-31.9	-170.5	76.1	-112.9	0	0	0	113.2	I328 G332 R333 V336 L353 A381 Y382 N387 Q388	I328-F385 HydrophobicContact CG2-CD1 4.5Å; I328-F385 HydrophobicContact CG2-CE1 3.98Å; G332-F385 VanDerWaalsContact C-CD2 3.47Å; G332-F385 VanDerWaalsContact CA-CD2 3.47Å; R333-F385 HydrophobicContact CG-CB 4.18Å; V336-F385 HydrophobicContact CG2-CD2 3.88Å; V336-F385 HydrophobicContact CG2-CE2 4.06Å; L353-F385 HydrophobicContact CD2-CE2 3.52Å; L353-F385 HydrophobicContact CD2-CZ 3.97Å; A381-F385 WeakPolarHBondContact O-CD1 3.09Å; A381-F385 PolarHBondContact O-N 2.83Å; Y382-F385 VanDerWaalsContact CA-CE1 3.47Å; Y382-F385 HydrophobicContact CD1-CE1 4.15Å; Y382-F385 HydrophobicContact CD1-CE2 4.38Å; Y382-F385 AromaticContact CD1-CZ 3.53Å; Y382-F385 HydrophobicContact CD1-CZ 3.53Å; Y382-F385 AromaticContact CD2-CE1 3.54Å; Y382-F385 HydrophobicContact CD2-CE1 3.54Å; Y382-F385 AromaticContact CD2-CZ 3.76Å; Y382-F385 HydrophobicContact CD2-CZ 3.76Å; Y382-F385 HydrophobicContact CE1-CE1 4.42Å; Y382-F385 AromaticContact CE1-CZ 3.66Å; Y382-F385 HydrophobicContact CE1-CZ 3.66Å; Y382-F385 AromaticContact CE2-CE1 3.83Å; Y382-F385 HydrophobicContact CE2-CE1 3.83Å; Y382-F385 AromaticContact CE2-CZ 3.86Å; Y382-F385 HydrophobicContact CE2-CZ 3.86Å; Y382-F385 AromaticContact CG-CE1 3.71Å; Y382-F385 HydrophobicContact CG-CE1 3.71Å; Y382-F385 AromaticContact CG-CZ 3.59Å; Y382-F385 HydrophobicContact CG-CZ 3.59Å; Y382-F385 AromaticContact CZ-CZ 3.81Å; F385-N387 PolarHBondContact O-N 2.93Å; F385-Q388 WeakPolarHBondContact O-CB 3.29Å; F385-Q388 PolarHBondContact O-N 3.39Å
386	I	95.8	Very high	93.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-37.5	-177.4	-156.9	165.8	0	0	0	110.1	L353 Y382 Q388 P393 F430 I431	L353-I386 HydrophobicContact CD1-CD1 4.17Å; L353-I386 HydrophobicContact CD1-CG1 4.44Å; Y382-I386 WeakPolarHBondContact O-CB 3.2Å; Y382-I386 WeakPolarHBondContact O-CG2 3.47Å; Y382-I386 PolarHBondContact O-N 2.9Å; I386-Q388 VanDerWaalsContact C-N 3.27Å; I386-Q388 PolarHBondContact O-N 3.4Å; I386-P393 HydrophobicContact CD1-CB 4.33Å; I386-P393 HydrophobicContact CG1-CB 3.77Å; I386-P393 HydrophobicContact CG1-CG 4.05Å; I386-P393 WeakPolarHBondContact O-CG 3.26Å; I386-F430 HydrophobicContact CG2-CB 4Å; I386-F430 WeakPolarHBondContact CG2-O 3.28Å; I386-I431 HydrophobicContact CD1-CD1 4.2Å; I386-I431 HydrophobicContact CD1-CG1 3.75Å; I386-I431 HydrophobicContact CG1-CG1 4.23Å; I386-I431 HydrophobicContact CG2-CG1 4.48Å
387	N	92.1	Very high	93.6	Very high	41 Å²	41	32.5 Å²	32.5	22%	0.219	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	1.7	-176.7	-65.4	-54.3	0	0	0	114	E383 F385 F430 D432	E383-N387 PolarHBondContact O-ND2 3.21Å; F385-N387 PolarHBondContact O-N 2.93Å; N387-F430 PolarHBondContact ND2-O 2.87Å; N387-D432 PolarHBondContact OD1-N 3.41Å
388	Q	90.6	Very high	93.6	Very high	58 Å²	58	32 Å²	32	27%	0.271	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-28.4	176.7	-73.2	171.7	29.3	0	0	113.5	E384 F385 I386 P390	E384-Q388 WeakPolarHBondContact O-CG 3.46Å; E384-Q388 PolarHBondContact O-NE2 3Å; F385-Q388 WeakPolarHBondContact O-CB 3.29Å; F385-Q388 PolarHBondContact O-N 3.39Å; I386-Q388 VanDerWaalsContact C-N 3.27Å; I386-Q388 PolarHBondContact O-N 3.4Å; Q388-P390 WeakPolarHBondContact O-CD 3.41Å
389	R	90	Very high	93.4	Very high	40 Å²	40	34.7 Å²	34.7	15%	0.151	17%	0.17	C	C	.	.	S	Bend	trans	-98.7	103.3	169.9	-169.7	175.3	177.5	-164	-4.1	108.3	V336 D346 K392 P393	V336-R389 HydrophobicContact CG1-CB 3.44Å; V336-R389 VanDerWaalsContact CG1-CB 3.44Å; V336-R389 WeakPolarHBondContact O-CD 3.45Å; V336-R389 PolarHBondContact O-NH1 2.99Å; D346-R389 VanDerWaalsContact CG-NH2 3.33Å; D346-R389 IonicContact OD1-CZ 3.77Å; D346-R389 VanDerWaalsContact OD1-CZ 3.31Å; D346-R389 IonicContact OD1-NH1 3.07Å; D346-R389 PolarHBondContact OD1-NH1 2.95Å; D346-R389 IonicContact OD1-NH2 2.73Å; D346-R389 PolarHBondContact OD1-NH2 3.43Å; D346-R389 IonicContact OD2-CZ 3.97Å; D346-R389 IonicContact OD2-NH1 2.9Å; D346-R389 IonicContact OD2-NH2 2.89Å; D346-R389 PolarHBondContact OD2-NH2 3.36Å; R389-K392 HydrophobicContact CG-CB 3.92Å; R389-K392 HydrophobicContact CG-CG 4.05Å; R389-P393 WeakPolarHBondContact O-CD 3.36Å
390	P	83.4	Confident	93.4	Very high	96 Å²	96	31.9 Å²	31.9	62%	0.623	16%	0.156	S	C	*	.	S	Bend	trans	-63.9	145.3	-175.6	26.8	-34.5	0	0	0	110.8	Q388 K392	Q388-P390 WeakPolarHBondContact O-CD 3.41Å; P390-K392 PolarHBondContact O-N 3.48Å
391	N	86.2	Confident	93.3	Very high	43 Å²	43	28.3 Å²	28.3	23%	0.23	14%	0.139	C	C	.	.	S	Bend	trans	63.2	-37	175.8	-55	-17.9	0	0	0	116.6	A394 E395 I436 E676	N391-A394 WeakPolarHBondContact O-CB 3.35Å; N391-A394 PolarHBondContact O-N 3.05Å; N391-E395 WeakPolarHBondContact O-CB 3.33Å; N391-E395 PolarHBondContact O-N 3.18Å; N391-I436 HydrophobicContact CB-CD1 4.45Å; N391-I436 HydrophobicContact CB-CG1 4.43Å; N391-I436 HydrophobicContact CB-CG2 4.11Å; N391-E676 PolarHBondContact ND2-OE2 2.92Å
392	K	91.8	Very high	93	Very high	42 Å²	42	29.1 Å²	29.1	18%	0.183	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-42	-169.9	-62.8	-73.8	162.4	-139.9	0	114.4	R389 P390 A394 E395 F396 E676	R389-K392 HydrophobicContact CG-CB 3.92Å; R389-K392 HydrophobicContact CG-CG 4.05Å; P390-K392 PolarHBondContact O-N 3.48Å; K392-A394 VanDerWaalsContact C-N 3.34Å; K392-A394 PolarHBondContact O-N 2.91Å; K392-E395 IonicContact NZ-OE2 2.65Å; K392-E395 PolarHBondContact NZ-OE2 3.11Å; K392-E395 PolarHBondContact O-N 3.4Å; K392-F396 HydrophobicContact CB-CD2 4.4Å; K392-F396 HydrophobicContact CB-CE2 4.06Å; K392-F396 HydrophobicContact CB-CZ 4.37Å; K392-F396 HydrophobicContact CD-CE1 4.27Å; K392-F396 HydrophobicContact CD-CE2 4.39Å; K392-F396 HydrophobicContact CD-CZ 3.86Å; K392-F396 VanDerWaalsContact O-CB 3.31Å; K392-F396 WeakPolarHBondContact O-CB 3.5Å; K392-F396 VanDerWaalsContact O-CG 3.22Å; K392-F396 WeakPolarHBondContact O-CG 3.44Å; K392-F396 PolarHBondContact O-N 3.38Å; K392-E676 IonicContact NZ-OE1 3.65Å; K392-E676 PolarHBondContact NZ-OE1 3.39Å
393	P	94.8	Very high	92.6	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.019	17%	0.167	C	C	.	.	H	α-helix	trans	-59	-43	172.3	-21.5	30.4	0	0	0	113.3	V336 M349 I386 R389 L397 I431	V336-P393 HydrophobicContact CG1-CG 4.4Å; M349-P393 HydrophobicContact CE-CB 4.07Å; M349-P393 HydrophobicContact CE-CG 4.27Å; I386-P393 HydrophobicContact CD1-CB 4.33Å; I386-P393 HydrophobicContact CG1-CB 3.77Å; I386-P393 HydrophobicContact CG1-CG 4.05Å; I386-P393 WeakPolarHBondContact O-CG 3.26Å; R389-P393 WeakPolarHBondContact O-CD 3.36Å; P393-L397 WeakPolarHBondContact O-CB 3.37Å; P393-L397 PolarHBondContact O-N 3.23Å; P393-I431 HydrophobicContact CB-CD1 4.05Å; P393-I431 HydrophobicContact CB-CG1 4.23Å
394	A	94.6	Very high	92.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-47.5	177.6	0	0	0	0	0	111.2	N391 K392 A398 I431 G433 I436 F437	N391-A394 WeakPolarHBondContact O-CB 3.35Å; N391-A394 PolarHBondContact O-N 3.05Å; K392-A394 VanDerWaalsContact C-N 3.34Å; K392-A394 PolarHBondContact O-N 2.91Å; A394-A398 PolarHBondContact O-N 2.89Å; A394-A398 VanDerWaalsContact O-N 3.15Å; A394-I431 HydrophobicContact CB-CG2 3.74Å; A394-G433 VanDerWaalsContact CB-O 3.28Å; A394-G433 WeakPolarHBondContact CB-O 3.45Å; A394-I436 HydrophobicContact CB-CB 3.97Å; A394-I436 HydrophobicContact CB-CG2 3.87Å; A394-F437 HydrophobicContact CB-CB 4Å; A394-F437 WeakPolarHBondContact O-CD2 3.08Å
395	E	93.4	Very high	92.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.1	-52.1	176.7	-177.3	-159.6	144.2	0	0	112.2	N391 K392 L397 A398 K399 F440 Q672	N391-E395 WeakPolarHBondContact O-CB 3.33Å; N391-E395 PolarHBondContact O-N 3.18Å; K392-E395 IonicContact NZ-OE2 2.65Å; K392-E395 PolarHBondContact NZ-OE2 3.11Å; K392-E395 PolarHBondContact O-N 3.4Å; E395-L397 VanDerWaalsContact C-N 3.31Å; E395-L397 PolarHBondContact O-N 3.09Å; E395-A398 WeakPolarHBondContact O-CB 3.45Å; E395-A398 PolarHBondContact O-N 3.23Å; E395-K399 HydrophobicContact CG-CD 4.21Å; E395-K399 WeakPolarHBondContact O-CG 3.4Å; E395-K399 PolarHBondContact O-N 3.22Å; E395-K399 WeakPolarHBondContact OE1-CE 3.45Å; E395-K399 IonicContact OE1-NZ 2.82Å; E395-K399 PolarHBondContact OE1-NZ 3.37Å; E395-F440 HydrophobicContact CB-CD2 3.85Å; E395-F440 HydrophobicContact CB-CE2 3.89Å; E395-F440 HydrophobicContact CB-CG 4.39Å; E395-F440 HydrophobicContact CB-CZ 4.45Å; E395-F440 HydrophobicContact CG-CD1 4Å; E395-F440 HydrophobicContact CG-CD2 3.76Å; E395-F440 HydrophobicContact CG-CE1 3.93Å; E395-F440 HydrophobicContact CG-CE2 3.69Å; E395-F440 HydrophobicContact CG-CG 3.93Å; E395-F440 HydrophobicContact CG-CZ 3.78Å; E395-Q672 VanDerWaalsContact OE1-CD 3.23Å; E395-Q672 PolarHBondContact OE1-NE2 3.37Å; E395-Q672 PolarHBondContact OE2-NE2 2.86Å
396	F	94.8	Very high	91.7	Very high	27 Å²	27	29.5 Å²	29.5	12%	0.118	15%	0.151	C	C	.	.	H	α-helix	trans	-68.3	-31.9	-176.5	-65	-17.3	0	0	0	111.8	D346 M349 I350 K392 K399 Y400	D346-F396 HydrophobicContact CB-CD2 4.37Å; D346-F396 HydrophobicContact CB-CE2 3.55Å; D346-F396 HydrophobicContact CB-CZ 3.66Å; D346-F396 VanDerWaalsContact CG-CZ 3.48Å; D346-F396 VanDerWaalsContact OD2-CZ 3.29Å; D346-F396 WeakPolarHBondContact OD2-CZ 3.45Å; M349-F396 HydrophobicContact CE-CB 3.96Å; M349-F396 HydrophobicContact CE-CD2 3.52Å; M349-F396 HydrophobicContact CE-CE2 4.48Å; M349-F396 HydrophobicContact CE-CG 4.22Å; M349-F396 HydrophobicContact SD-CD2 3.98Å; M349-F396 HydrophobicContact SD-CE2 4.48Å; I350-F396 HydrophobicContact CD1-CB 4.17Å; I350-F396 HydrophobicContact CG1-CB 3.94Å; K392-F396 HydrophobicContact CB-CD2 4.4Å; K392-F396 HydrophobicContact CB-CE2 4.06Å; K392-F396 HydrophobicContact CB-CZ 4.37Å; K392-F396 HydrophobicContact CD-CE1 4.27Å; K392-F396 HydrophobicContact CD-CE2 4.39Å; K392-F396 HydrophobicContact CD-CZ 3.86Å; K392-F396 VanDerWaalsContact O-CB 3.31Å; K392-F396 WeakPolarHBondContact O-CB 3.5Å; K392-F396 VanDerWaalsContact O-CG 3.22Å; K392-F396 WeakPolarHBondContact O-CG 3.44Å; K392-F396 PolarHBondContact O-N 3.38Å; F396-K399 HydrophobicContact CD1-CD 4.49Å; F396-K399 PolarHBondContact O-N 2.78Å; F396-Y400 WeakPolarHBondContact O-CB 2.98Å; F396-Y400 PolarHBondContact O-N 3.4Å
397	L	97.2	Very high	90.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.1	-42.7	171.9	-173.6	63.1	0	0	0	111.4	I350 P393 E395 Y400 L401 A424 L427 F428 I431 F437	I350-L397 HydrophobicContact CD1-CB 4.01Å; I350-L397 HydrophobicContact CD1-CD1 4.37Å; I350-L397 HydrophobicContact CG2-CD1 3.76Å; P393-L397 WeakPolarHBondContact O-CB 3.37Å; P393-L397 PolarHBondContact O-N 3.23Å; E395-L397 VanDerWaalsContact C-N 3.31Å; E395-L397 PolarHBondContact O-N 3.09Å; L397-Y400 PolarHBondContact O-N 2.76Å; L397-L401 WeakPolarHBondContact O-CG 3.5Å; L397-L401 PolarHBondContact O-N 3.24Å; L397-A424 HydrophobicContact CD1-CB 3.97Å; L397-L427 HydrophobicContact CD2-CB 4.45Å; L397-F428 HydrophobicContact CD2-CB 3.8Å; L397-F428 HydrophobicContact CD2-CD2 4.46Å; L397-I431 HydrophobicContact CB-CD1 4.35Å; L397-I431 HydrophobicContact CD2-CD1 3.71Å; L397-F437 HydrophobicContact CB-CD2 4.13Å; L397-F437 HydrophobicContact CB-CE2 4.19Å; L397-F437 HydrophobicContact CD2-CD2 4.15Å; L397-F437 HydrophobicContact CD2-CE2 4.05Å; L397-F437 HydrophobicContact CG-CD2 4.18Å; L397-F437 HydrophobicContact CG-CE2 3.85Å
398	A	95.3	Very high	89.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-43.6	175.1	0	0	0	0	0	111.8	A394 E395 D402 F437 F440	A394-A398 PolarHBondContact O-N 2.89Å; A394-A398 VanDerWaalsContact O-N 3.15Å; E395-A398 WeakPolarHBondContact O-CB 3.45Å; E395-A398 PolarHBondContact O-N 3.23Å; A398-D402 WeakPolarHBondContact O-CB 3.29Å; A398-D402 PolarHBondContact O-N 3.47Å; A398-F437 HydrophobicContact CB-CD2 3.84Å; A398-F437 HydrophobicContact CB-CE2 3.91Å; A398-F437 HydrophobicContact CB-CG 4.48Å; A398-F440 HydrophobicContact CB-CB 3.79Å
399	K	92.3	Very high	87.7	Confident	59 Å²	59	31.8 Å²	31.8	26%	0.257	17%	0.169	S	C	.	.	H	α-helix	trans	-66.6	-37.4	176.6	-71.5	179.8	175.4	178.4	0	112.7	E395 F396 D402 S403 E667	E395-K399 HydrophobicContact CG-CD 4.21Å; E395-K399 WeakPolarHBondContact O-CG 3.4Å; E395-K399 PolarHBondContact O-N 3.22Å; E395-K399 WeakPolarHBondContact OE1-CE 3.45Å; E395-K399 IonicContact OE1-NZ 2.82Å; E395-K399 PolarHBondContact OE1-NZ 3.37Å; F396-K399 HydrophobicContact CD1-CD 4.49Å; F396-K399 PolarHBondContact O-N 2.78Å; K399-D402 PolarHBondContact O-N 2.78Å; K399-S403 PolarHBondContact O-N 2.81Å; K399-E667 WeakPolarHBondContact CE-OE2 3.09Å; K399-E667 IonicContact NZ-OE2 3.43Å; K399-E667 PolarHBondContact NZ-OE2 3.17Å
400	Y	94.2	Very high	86.6	Confident	26 Å²	26	39.4 Å²	39.4	10%	0.102	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-52.3	175.6	179.5	-95.7	0	0	0	110.2	I350 Q351 L354 F396 L397 D402 S403 H404 L420	I350-Y400 HydrophobicContact CB-CD2 3.97Å; I350-Y400 HydrophobicContact CB-CG 3.96Å; I350-Y400 HydrophobicContact CG2-CD1 3.67Å; I350-Y400 HydrophobicContact CG2-CD2 3.97Å; I350-Y400 HydrophobicContact CG2-CE1 4.07Å; I350-Y400 HydrophobicContact CG2-CE2 4.34Å; I350-Y400 HydrophobicContact CG2-CG 3.62Å; Q351-Y400 HydrophobicContact CB-CE2 4.32Å; Q351-Y400 PolarHBondContact OE1-OH 3.39Å; L354-Y400 HydrophobicContact CD1-CE1 3.81Å; F396-Y400 WeakPolarHBondContact O-CB 2.98Å; F396-Y400 PolarHBondContact O-N 3.4Å; L397-Y400 PolarHBondContact O-N 2.76Å; Y400-D402 VanDerWaalsContact C-N 3.34Å; Y400-D402 PolarHBondContact O-N 3.47Å; Y400-S403 WeakPolarHBondContact O-CB 3.22Å; Y400-S403 PolarHBondContact O-N 3.45Å; Y400-H404 AromaticContact CE1-CD2 3.89Å; Y400-H404 AromaticContact CE2-CD2 3.93Å; Y400-H404 AromaticContact CE2-NE2 3.5Å; Y400-H404 WeakPolarHBondContact CE2-NE2 3.31Å; Y400-H404 AromaticContact CZ-CD2 3.77Å; Y400-H404 AromaticContact CZ-NE2 3.43Å; Y400-H404 PolarHBondContact O-CD2 2.87Å; Y400-H404 VanDerWaalsContact O-CD2 3.29Å; Y400-H404 PolarHBondContact O-N 3.03Å; Y400-L420 HydrophobicContact CE1-CD1 4.12Å; Y400-L420 HydrophobicContact CE1-CD2 3.85Å; Y400-L420 HydrophobicContact CE1-CG 4.1Å
401	L	94	Very high	85.9	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-59.5	-42.7	175.8	-73	169.9	0	0	0	112.4	L397 S403 H404 L405 L420 M421 A424 F437 Y441 M463	L397-L401 WeakPolarHBondContact O-CG 3.5Å; L397-L401 PolarHBondContact O-N 3.24Å; L401-S403 PolarHBondContact O-N 2.73Å; L401-H404 PolarHBondContact O-N 3.24Å; L401-L405 WeakPolarHBondContact O-CB 3.27Å; L401-L405 VanDerWaalsContact O-CG 3.3Å; L401-L405 WeakPolarHBondContact O-CG 3.39Å; L401-L405 PolarHBondContact O-N 2.61Å; L401-L420 HydrophobicContact CD2-CD2 4.14Å; L401-M421 HydrophobicContact CD2-CG 4.31Å; L401-A424 HydrophobicContact CD1-CB 4.48Å; L401-A424 HydrophobicContact CD2-CB 3.79Å; L401-A424 HydrophobicContact CG-CB 4.32Å; L401-F437 HydrophobicContact CD1-CE2 3.84Å; L401-F437 HydrophobicContact CD1-CZ 3.7Å; L401-Y441 HydrophobicContact CB-CE2 4.23Å; L401-Y441 HydrophobicContact CD1-CD2 4.46Å; L401-Y441 HydrophobicContact CD1-CE2 4.29Å; L401-M463 HydrophobicContact CD1-CE 3.56Å; L401-M463 HydrophobicContact CD1-SD 4.24Å; L401-M463 HydrophobicContact CD2-SD 4.25Å
402	D	91.6	Very high	85.5	Confident	16 Å²	16	38.7 Å²	38.7	9%	0.086	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-46.4	175.9	174.9	69.3	0	0	0	112.2	A398 K399 Y400 H404 L405 R406 E444 R448	A398-D402 WeakPolarHBondContact O-CB 3.29Å; A398-D402 PolarHBondContact O-N 3.47Å; K399-D402 PolarHBondContact O-N 2.78Å; Y400-D402 VanDerWaalsContact C-N 3.34Å; Y400-D402 PolarHBondContact O-N 3.47Å; D402-H404 VanDerWaalsContact C-N 3.34Å; D402-H404 PolarHBondContact O-N 3.08Å; D402-L405 PolarHBondContact O-N 3.3Å; D402-R406 WeakPolarHBondContact O-CB 3.3Å; D402-R406 VanDerWaalsContact O-CG 3.26Å; D402-R406 WeakPolarHBondContact O-CG 3.44Å; D402-R406 PolarHBondContact O-N 2.68Å; D402-R406 IonicContact OD1-CZ 2.65Å; D402-R406 IonicContact OD1-NE 2.71Å; D402-R406 PolarHBondContact OD1-NE 2.65Å; D402-R406 IonicContact OD1-NH2 3.79Å; D402-R406 PolarHBondContact OD1-NH2 3.12Å; D402-R406 VanDerWaalsContact OD1-NH2 3.1Å; D402-R406 WeakPolarHBondContact OD2-CD 3.41Å; D402-R406 IonicContact OD2-CZ 2.76Å; D402-R406 IonicContact OD2-NE 3.22Å; D402-R406 PolarHBondContact OD2-NE 3.41Å; D402-R406 IonicContact OD2-NH2 3.64Å; D402-E444 HydrophobicContact CB-CB 3.96Å; D402-E444 HydrophobicContact CB-CG 4.3Å; D402-R448 VanDerWaalsContact OD1-CD 3.29Å; D402-R448 WeakPolarHBondContact OD1-CD 3.42Å; D402-R448 WeakPolarHBondContact OD1-CG 3.33Å; D402-R448 IonicContact OD1-CZ 3.96Å; D402-R448 IonicContact OD1-NE 2.76Å; D402-R448 IonicContact OD1-NH1 3.72Å; D402-R448 PolarHBondContact OD1-NH1 2.98Å
403	S	88.7	Confident	85.1	Confident	73 Å²	73	40.2 Å²	40.2	51%	0.51	22%	0.215	S	C	.	.	H	α-helix	trans	-57.3	-47.8	178.4	-177.5	0	0	0	0	111.6	K399 Y400 L401 R406 S407	K399-S403 PolarHBondContact O-N 2.81Å; Y400-S403 WeakPolarHBondContact O-CB 3.22Å; Y400-S403 PolarHBondContact O-N 3.45Å; L401-S403 PolarHBondContact O-N 2.73Å; S403-R406 PolarHBondContact O-N 3.12Å; S403-S407 PolarHBondContact O-N 2.63Å; S403-S407 PolarHBondContact O-OG 2.84Å; S403-S407 VanDerWaalsContact O-OG 3.11Å
404	H	89.4	Confident	84.6	Confident	30 Å²	30	44.8 Å²	44.8	14%	0.139	24%	0.236	C	C	.	.	H	α-helix	trans	-67.5	-39.8	179.6	-78.3	-87.8	0	0	0	112.7	Y400 L401 D402 R406 S407 G408 Q412 L417 L420	Y400-H404 AromaticContact CE1-CD2 3.89Å; Y400-H404 AromaticContact CE2-CD2 3.93Å; Y400-H404 AromaticContact CE2-NE2 3.5Å; Y400-H404 WeakPolarHBondContact CE2-NE2 3.31Å; Y400-H404 AromaticContact CZ-CD2 3.77Å; Y400-H404 AromaticContact CZ-NE2 3.43Å; Y400-H404 PolarHBondContact O-CD2 2.87Å; Y400-H404 VanDerWaalsContact O-CD2 3.29Å; Y400-H404 PolarHBondContact O-N 3.03Å; L401-H404 PolarHBondContact O-N 3.24Å; D402-H404 VanDerWaalsContact C-N 3.34Å; D402-H404 PolarHBondContact O-N 3.08Å; H404-R406 VanDerWaalsContact C-N 3.34Å; H404-R406 PolarHBondContact O-N 2.87Å; H404-S407 PolarHBondContact O-N 2.91Å; H404-S407 PolarHBondContact O-OG 2.7Å; H404-S407 VanDerWaalsContact O-OG 3.08Å; H404-G408 PolarHBondContact O-N 2.79Å; H404-Q412 PolarHBondContact ND1-OE1 2.96Å; H404-L417 HydrophobicContact CB-CD1 4.05Å; H404-L420 HydrophobicContact CB-CD2 4.38Å; H404-L420 WeakPolarHBondContact ND1-CD1 3.28Å
405	L	89.5	Confident	84.3	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-70.6	-27.7	177.1	-72.2	166.2	0	0	0	113.1	L401 D402 L417 Y441 A455 A459	L401-L405 WeakPolarHBondContact O-CB 3.27Å; L401-L405 VanDerWaalsContact O-CG 3.3Å; L401-L405 WeakPolarHBondContact O-CG 3.39Å; L401-L405 PolarHBondContact O-N 2.61Å; D402-L405 PolarHBondContact O-N 3.3Å; L405-L417 HydrophobicContact CD2-CD2 4.23Å; L405-Y441 HydrophobicContact CD1-CE2 4.35Å; L405-A455 WeakPolarHBondContact O-CB 3.43Å; L405-A455 PolarHBondContact O-N 2.95Å; L405-A455 VanDerWaalsContact O-N 3.1Å; L405-A459 HydrophobicContact CD2-CB 4.03Å
406	R	85	Confident	84.1	Confident	59 Å²	59	55.2 Å²	55.2	22%	0.223	29%	0.285	C	S	.	.	H	α-helix	trans	-75.9	-37.6	172.6	-73.8	-177.2	-167.2	-70.5	-4.7	112.5	D402 S403 H404 E444 R448	D402-R406 WeakPolarHBondContact O-CB 3.3Å; D402-R406 VanDerWaalsContact O-CG 3.26Å; D402-R406 WeakPolarHBondContact O-CG 3.44Å; D402-R406 PolarHBondContact O-N 2.68Å; D402-R406 IonicContact OD1-CZ 2.65Å; D402-R406 IonicContact OD1-NE 2.71Å; D402-R406 PolarHBondContact OD1-NE 2.65Å; D402-R406 IonicContact OD1-NH2 3.79Å; D402-R406 PolarHBondContact OD1-NH2 3.12Å; D402-R406 VanDerWaalsContact OD1-NH2 3.1Å; D402-R406 WeakPolarHBondContact OD2-CD 3.41Å; D402-R406 IonicContact OD2-CZ 2.76Å; D402-R406 IonicContact OD2-NE 3.22Å; D402-R406 PolarHBondContact OD2-NE 3.41Å; D402-R406 IonicContact OD2-NH2 3.64Å; S403-R406 PolarHBondContact O-N 3.12Å; H404-R406 VanDerWaalsContact C-N 3.34Å; H404-R406 PolarHBondContact O-N 2.87Å; R406-E444 IonicContact CZ-OE2 3.28Å; R406-E444 PolarHBondContact NH2-O 2.67Å; R406-E444 IonicContact NH2-OE2 3.15Å; R406-E444 PolarHBondContact NH2-OE2 3.24Å; R406-R448 HydrophobicContact CG-CG 3.85Å; R406-R448 VanDerWaalsContact CZ-CG 3.48Å; R406-R448 VanDerWaalsContact NH1-CG 3.31Å
407	S	74.2	Confident	83.9	Confident	42 Å²	42	54.2 Å²	54.2	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-77.5	-36.7	179.6	55.4	0	0	0	0	112.9	S403 H404 K410	S403-S407 PolarHBondContact O-N 2.63Å; S403-S407 PolarHBondContact O-OG 2.84Å; S403-S407 VanDerWaalsContact O-OG 3.11Å; H404-S407 PolarHBondContact O-N 2.91Å; H404-S407 PolarHBondContact O-OG 2.7Å; H404-S407 VanDerWaalsContact O-OG 3.08Å; S407-K410 PolarHBondContact O-N 2.94Å
408	G	62.5	Low	83.6	Confident	3 Å²	3	57 Å²	57	3%	0.031	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	32.2	-128.2	-173	0	0	0	0	0	115.3	H404 K410 A411 Q412	H404-G408 PolarHBondContact O-N 2.79Å; G408-K410 PolarHBondContact O-N 2.83Å; G408-A411 PolarHBondContact O-N 3.36Å; G408-Q412 PolarHBondContact O-N 3.36Å
409	N	58.9	Low	83.5	Confident	102 Å²	102	62.1 Å²	62.1	55%	0.545	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-60.5	-6	-169.3	-63.2	2.9	0	0	0	115.9	A411 Q412	N409-A411 VanDerWaalsContact C-N 3.31Å; N409-Q412 VanDerWaalsContact CA-O 3.32Å; N409-Q412 WeakPolarHBondContact CA-O 3.4Å
410	K	67	Low	83.5	Confident	201 Å²	201	60 Å²	60	87%	0.874	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-74.5	-24.8	173.3	-67	-174.6	179.1	-179.2	0	112.8	S407 G408	S407-K410 PolarHBondContact O-N 2.94Å; G408-K410 PolarHBondContact O-N 2.83Å
411	A	67.5	Low	83.5	Confident	72 Å²	72	58.9 Å²	58.9	60%	0.595	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-35.2	-174.1	0	0	0	0	0	113	G408 N409	G408-A411 PolarHBondContact O-N 3.36Å; N409-A411 VanDerWaalsContact C-N 3.31Å
412	Q	77.9	Confident	83.6	Confident	52 Å²	52	62.2 Å²	62.2	24%	0.243	32%	0.323	C	S	.	.	S	Bend	trans	-142.4	148.1	-172.5	-67.3	175.4	-47.8	0	0	110.5	H404 G408 N409 E416	H404-Q412 PolarHBondContact ND1-OE1 2.96Å; G408-Q412 PolarHBondContact O-N 3.36Å; N409-Q412 VanDerWaalsContact CA-O 3.32Å; N409-Q412 WeakPolarHBondContact CA-O 3.4Å; Q412-E416 VanDerWaalsContact CA-OE2 3.31Å; Q412-E416 WeakPolarHBondContact CA-OE2 3.48Å; Q412-E416 HydrophobicContact CB-CB 4.08Å
413	T	85	Confident	83.8	Confident	73 Å²	73	65.5 Å²	65.5	45%	0.448	34%	0.336	S	S	.	.			trans	-69.4	161.5	172.3	63.9	0	0	0	0	111.2	E415 E416 L417	T413-E415 PolarHBondContact O-N 3.37Å; T413-E416 PolarHBondContact N-OE2 3.27Å; T413-E416 PolarHBondContact O-N 2.95Å; T413-E416 WeakPolarHBondContact OG1-CB 3.38Å; T413-E416 VanDerWaalsContact OG1-CG 3.23Å; T413-E416 WeakPolarHBondContact OG1-CG 3.14Å; T413-E416 PolarHBondContact OG1-N 3.01Å; T413-E416 PolarHBondContact OG1-OE2 2.9Å; T413-L417 WeakPolarHBondContact O-CB 3.49Å; T413-L417 PolarHBondContact O-N 3.38Å
414	E	83.7	Confident	84.1	Confident	99 Å²	99	62 Å²	62	46%	0.463	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-32.8	176.4	-69.1	-169.8	152.2	0	0	112.3	L417 D418 S456	E414-L417 PolarHBondContact O-N 2.89Å; E414-D418 WeakPolarHBondContact O-CB 3.4Å; E414-D418 PolarHBondContact O-N 3.19Å; E414-S456 PolarHBondContact OE1-OG 2.93Å
415	E	87.9	Confident	84.5	Confident	125 Å²	125	60.9 Å²	60.9	58%	0.584	31%	0.307	S	S	*	.	H	α-helix	trans	-69	-42	175.5	-169.2	-170.7	155.7	0	0	112.1	T413 L417 D418 K419	T413-E415 PolarHBondContact O-N 3.37Å; E415-L417 VanDerWaalsContact C-N 3.31Å; E415-D418 PolarHBondContact O-N 3.07Å; E415-K419 WeakPolarHBondContact O-CG 3.47Å; E415-K419 PolarHBondContact O-N 2.9Å; E415-K419 VanDerWaalsContact OE1-CE 3.3Å; E415-K419 WeakPolarHBondContact OE1-CE 3.37Å; E415-K419 IonicContact OE1-NZ 3.97Å; E415-K419 PolarHBondContact OE1-NZ 3.34Å
416	E	89.7	Confident	84.7	Confident	96 Å²	96	62.5 Å²	62.5	45%	0.449	32%	0.315	S	S	.	.	H	α-helix	trans	-64.5	-38.7	174.5	-74.2	167.3	162.5	0	0	111.5	Q412 T413 K419 L420	Q412-E416 VanDerWaalsContact CA-OE2 3.31Å; Q412-E416 WeakPolarHBondContact CA-OE2 3.48Å; Q412-E416 HydrophobicContact CB-CB 4.08Å; T413-E416 PolarHBondContact N-OE2 3.27Å; T413-E416 PolarHBondContact O-N 2.95Å; T413-E416 WeakPolarHBondContact OG1-CB 3.38Å; T413-E416 VanDerWaalsContact OG1-CG 3.23Å; T413-E416 WeakPolarHBondContact OG1-CG 3.14Å; T413-E416 PolarHBondContact OG1-N 3.01Å; T413-E416 PolarHBondContact OG1-OE2 2.9Å; E416-K419 PolarHBondContact O-N 3.4Å; E416-L420 WeakPolarHBondContact O-CB 3.01Å; E416-L420 PolarHBondContact O-N 3Å
417	L	89.6	Confident	85.2	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-65.6	-41.8	175.5	-176.3	61.4	0	0	0	111.3	H404 L405 T413 E414 E415 L420 M421 A459	H404-L417 HydrophobicContact CB-CD1 4.05Å; L405-L417 HydrophobicContact CD2-CD2 4.23Å; T413-L417 WeakPolarHBondContact O-CB 3.49Å; T413-L417 PolarHBondContact O-N 3.38Å; E414-L417 PolarHBondContact O-N 2.89Å; E415-L417 VanDerWaalsContact C-N 3.31Å; L417-L420 WeakPolarHBondContact O-CB 3.49Å; L417-L420 PolarHBondContact O-N 3.1Å; L417-M421 HydrophobicContact CG-CE 4.46Å; L417-M421 WeakPolarHBondContact O-CG 3.45Å; L417-M421 PolarHBondContact O-N 3.24Å; L417-A459 HydrophobicContact CD2-CB 3.66Å
418	D	91.4	Very high	86.3	Confident	58 Å²	58	57.7 Å²	57.7	31%	0.31	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-43	176.4	-168.1	56.9	0	0	0	112.3	E414 E415 L420 M421 D422 K466	E414-D418 WeakPolarHBondContact O-CB 3.4Å; E414-D418 PolarHBondContact O-N 3.19Å; E415-D418 PolarHBondContact O-N 3.07Å; D418-L420 VanDerWaalsContact C-N 3.32Å; D418-L420 PolarHBondContact O-N 3.18Å; D418-M421 HydrophobicContact CB-CE 4.19Å; D418-M421 WeakPolarHBondContact O-CB 3.3Å; D418-M421 PolarHBondContact O-N 3.47Å; D418-D422 PolarHBondContact O-N 3.32Å; D418-K466 WeakPolarHBondContact OD1-CE 3.5Å; D418-K466 IonicContact OD1-NZ 3.85Å; D418-K466 PolarHBondContact OD1-NZ 3.22Å; D418-K466 IonicContact OD2-NZ 2.87Å
419	K	92.8	Very high	87.8	Confident	108 Å²	108	63.4 Å²	63.4	47%	0.47	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-39.9	172.8	-72	173.8	-173.7	166.5	0	112.1	E415 E416 M421 D422 K423	E415-K419 WeakPolarHBondContact O-CG 3.47Å; E415-K419 PolarHBondContact O-N 2.9Å; E415-K419 VanDerWaalsContact OE1-CE 3.3Å; E415-K419 WeakPolarHBondContact OE1-CE 3.37Å; E415-K419 IonicContact OE1-NZ 3.97Å; E415-K419 PolarHBondContact OE1-NZ 3.34Å; E416-K419 PolarHBondContact O-N 3.4Å; K419-M421 VanDerWaalsContact C-N 3.35Å; K419-D422 PolarHBondContact O-N 3.26Å; K419-K423 WeakPolarHBondContact O-CG 3.5Å; K419-K423 PolarHBondContact O-N 2.66Å; K419-K423 VanDerWaalsContact O-N 3.12Å
420	L	93	Very high	89.5	Confident	15 Å²	15	59.1 Å²	59.1	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-42.5	175.3	179.6	151	0	0	0	111	Y400 L401 H404 E416 L417 D418 K423 A424	Y400-L420 HydrophobicContact CE1-CD1 4.12Å; Y400-L420 HydrophobicContact CE1-CD2 3.85Å; Y400-L420 HydrophobicContact CE1-CG 4.1Å; L401-L420 HydrophobicContact CD2-CD2 4.14Å; H404-L420 HydrophobicContact CB-CD2 4.38Å; H404-L420 WeakPolarHBondContact ND1-CD1 3.28Å; E416-L420 WeakPolarHBondContact O-CB 3.01Å; E416-L420 PolarHBondContact O-N 3Å; L417-L420 WeakPolarHBondContact O-CB 3.49Å; L417-L420 PolarHBondContact O-N 3.1Å; D418-L420 VanDerWaalsContact C-N 3.32Å; D418-L420 PolarHBondContact O-N 3.18Å; L420-K423 PolarHBondContact O-N 3.06Å; L420-A424 WeakPolarHBondContact O-CB 3.45Å; L420-A424 PolarHBondContact O-N 2.77Å
421	M	94.2	Very high	90.8	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-43.4	175.3	-70.5	-173.5	-65.1	0	0	111.3	L401 L417 D418 K419 K423 A424 M425 A462 M463 K466	L401-M421 HydrophobicContact CD2-CG 4.31Å; L417-M421 HydrophobicContact CG-CE 4.46Å; L417-M421 WeakPolarHBondContact O-CG 3.45Å; L417-M421 PolarHBondContact O-N 3.24Å; D418-M421 HydrophobicContact CB-CE 4.19Å; D418-M421 WeakPolarHBondContact O-CB 3.3Å; D418-M421 PolarHBondContact O-N 3.47Å; K419-M421 VanDerWaalsContact C-N 3.35Å; M421-K423 PolarHBondContact O-N 3.44Å; M421-A424 PolarHBondContact O-N 3.26Å; M421-M425 VanDerWaalsContact O-CG 3.27Å; M421-M425 WeakPolarHBondContact O-CG 3.39Å; M421-M425 PolarHBondContact O-N 3.06Å; M421-A462 HydrophobicContact CE-CB 4.12Å; M421-M463 HydrophobicContact CB-SD 4.01Å; M421-M463 HydrophobicContact CG-SD 3.77Å; M421-M463 HydrophobicContact SD-CB 3.65Å; M421-M463 HydrophobicContact SD-CG 4.13Å; M421-M463 HydrophobicContact SD-SD 3.69Å; M421-M463 VanDerWaalsContact SD-SD 3.69Å; M421-K466 HydrophobicContact CB-CD 4.14Å
422	D	95.8	Very high	91.8	Very high	72 Å²	72	50.2 Å²	50.2	39%	0.385	24%	0.24	S	C	.	.	H	α-helix	trans	-59.8	-44.8	176.8	-75.6	-24.4	0	0	0	112.5	D418 K419 M425 I426 K466	D418-D422 PolarHBondContact O-N 3.32Å; K419-D422 PolarHBondContact O-N 3.26Å; D422-M425 PolarHBondContact O-N 2.7Å; D422-I426 WeakPolarHBondContact O-CG1 3.32Å; D422-I426 PolarHBondContact O-N 3.2Å; D422-I426 VanDerWaalsContact O-N 3.14Å; D422-K466 WeakPolarHBondContact OD1-CE 3.44Å; D422-K466 IonicContact OD1-NZ 2.68Å; D422-K466 PolarHBondContact OD1-NZ 3.31Å; D422-K466 IonicContact OD2-NZ 3.31Å
423	K	95.5	Very high	92.2	Very high	84 Å²	84	48.2 Å²	48.2	37%	0.365	23%	0.233	S	C	.	.	H	α-helix	trans	-66.2	-40.8	177.1	-60.7	177.6	-179	-174.1	0	111.8	L354 D358 K419 L420 M421 M425 I426 L427	L354-K423 HydrophobicContact CD2-CB 3.67Å; D358-K423 VanDerWaalsContact OD2-CE 3.3Å; D358-K423 WeakPolarHBondContact OD2-CE 3.35Å; D358-K423 IonicContact OD2-NZ 3.23Å; D358-K423 PolarHBondContact OD2-NZ 2.87Å; K419-K423 WeakPolarHBondContact O-CG 3.5Å; K419-K423 PolarHBondContact O-N 2.66Å; K419-K423 VanDerWaalsContact O-N 3.12Å; L420-K423 PolarHBondContact O-N 3.06Å; M421-K423 PolarHBondContact O-N 3.44Å; K423-M425 VanDerWaalsContact C-N 3.27Å; K423-M425 PolarHBondContact O-N 3.46Å; K423-I426 WeakPolarHBondContact O-CB 3.43Å; K423-I426 PolarHBondContact O-N 3.2Å; K423-I426 VanDerWaalsContact O-N 3.15Å; K423-L427 PolarHBondContact O-N 3.31Å
424	A	96.1	Very high	92.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-37.2	174.4	0	0	0	0	0	111.8	L397 L401 L420 M421 I426 L427 F428	L397-A424 HydrophobicContact CD1-CB 3.97Å; L401-A424 HydrophobicContact CD1-CB 4.48Å; L401-A424 HydrophobicContact CD2-CB 3.79Å; L401-A424 HydrophobicContact CG-CB 4.32Å; L420-A424 WeakPolarHBondContact O-CB 3.45Å; L420-A424 PolarHBondContact O-N 2.77Å; M421-A424 PolarHBondContact O-N 3.26Å; A424-I426 VanDerWaalsContact C-N 3.31Å; A424-I426 PolarHBondContact O-N 3.07Å; A424-L427 PolarHBondContact O-N 2.67Å; A424-F428 WeakPolarHBondContact O-CB 3.45Å; A424-F428 PolarHBondContact O-N 3.27Å
425	M	96.4	Very high	92.8	Very high	7 Å²	7	44.5 Å²	44.5	3%	0.034	21%	0.21	C	C	.	.	H	α-helix	trans	-67.1	-31.2	175.6	-72.3	-49.5	-56.1	0	0	112.9	M421 D422 K423 F428 R429 M463 K466 L467 E470	M421-M425 VanDerWaalsContact O-CG 3.27Å; M421-M425 WeakPolarHBondContact O-CG 3.39Å; M421-M425 PolarHBondContact O-N 3.06Å; D422-M425 PolarHBondContact O-N 2.7Å; K423-M425 VanDerWaalsContact C-N 3.27Å; K423-M425 PolarHBondContact O-N 3.46Å; M425-F428 HydrophobicContact CE-CB 4.21Å; M425-F428 HydrophobicContact CE-CD1 3.44Å; M425-F428 VanDerWaalsContact CE-CD1 3.44Å; M425-F428 HydrophobicContact CE-CE1 4.05Å; M425-F428 HydrophobicContact CE-CG 4.01Å; M425-F428 WeakPolarHBondContact O-CB 3.47Å; M425-F428 PolarHBondContact O-N 2.77Å; M425-F428 HydrophobicContact SD-CB 4.43Å; M425-R429 WeakPolarHBondContact O-CG 3.4Å; M425-R429 PolarHBondContact O-N 2.8Å; M425-M463 HydrophobicContact CG-CE 4.3Å; M425-M463 HydrophobicContact SD-CE 3.31Å; M425-M463 WeakPolarHBondContact SD-CE 3.28Å; M425-K466 HydrophobicContact CG-CB 4.03Å; M425-K466 HydrophobicContact CG-CD 4.27Å; M425-K466 HydrophobicContact SD-CB 4.42Å; M425-L467 HydrophobicContact CE-CD2 3.99Å; M425-L467 HydrophobicContact SD-CD2 3.97Å; M425-E470 HydrophobicContact CE-CB 4.02Å; M425-E470 HydrophobicContact CE-CG 3.29Å
426	I	94.9	Very high	93	Very high	37 Å²	37	38.7 Å²	38.7	19%	0.19	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-43.8	172.4	-60.5	165.8	0	0	0	110.6	R357 D422 K423 A424 F428 R429 F430	R357-I426 VanDerWaalsContact NE-CG2 3.3Å; D422-I426 WeakPolarHBondContact O-CG1 3.32Å; D422-I426 PolarHBondContact O-N 3.2Å; D422-I426 VanDerWaalsContact O-N 3.14Å; K423-I426 WeakPolarHBondContact O-CB 3.43Å; K423-I426 PolarHBondContact O-N 3.2Å; K423-I426 VanDerWaalsContact O-N 3.15Å; A424-I426 VanDerWaalsContact C-N 3.31Å; A424-I426 PolarHBondContact O-N 3.07Å; I426-F428 VanDerWaalsContact C-N 3.31Å; I426-F428 PolarHBondContact O-N 3.26Å; I426-R429 WeakPolarHBondContact O-CB 3.49Å; I426-R429 PolarHBondContact O-N 2.96Å; I426-F430 HydrophobicContact CG2-CE2 3.81Å; I426-F430 HydrophobicContact CG2-CZ 3.75Å; I426-F430 WeakPolarHBondContact O-CD2 3.44Å
427	L	96.1	Very high	93.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-40.2	173.2	-67.8	-173.9	0	0	0	111.9	I350 L353 L354 Y382 L397 K423 A424 R429 F430 I431	I350-L427 HydrophobicContact CG2-CD1 4.23Å; L353-L427 HydrophobicContact CB-CD1 3.9Å; L353-L427 HydrophobicContact CB-CD2 4.35Å; L354-L427 HydrophobicContact CD2-CD1 3.42Å; L354-L427 VanDerWaalsContact CD2-CD1 3.42Å; L354-L427 HydrophobicContact CD2-CG 3.78Å; L354-L427 HydrophobicContact CG-CD1 3.69Å; Y382-L427 HydrophobicContact CD1-CD2 4.02Å; Y382-L427 HydrophobicContact CE1-CD2 4.03Å; L397-L427 HydrophobicContact CD2-CB 4.45Å; K423-L427 PolarHBondContact O-N 3.31Å; A424-L427 PolarHBondContact O-N 2.67Å; L427-R429 VanDerWaalsContact C-N 3.25Å; L427-R429 PolarHBondContact O-N 3.23Å; L427-F430 HydrophobicContact CD2-CD2 4.13Å; L427-F430 HydrophobicContact CD2-CE2 4.38Å; L427-F430 WeakPolarHBondContact O-CB 3.17Å; L427-F430 PolarHBondContact O-N 2.89Å; L427-F430 VanDerWaalsContact O-N 3.09Å; L427-I431 WeakPolarHBondContact O-CG1 3.5Å; L427-I431 PolarHBondContact O-N 3.46Å
428	F	96.2	Very high	93.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.3	-37.2	176.2	175.3	-99.5	0	0	0	112.6	L397 A424 M425 I426 F430 I431 K434 F437 L467 E470 C471 Y475	L397-F428 HydrophobicContact CD2-CB 3.8Å; L397-F428 HydrophobicContact CD2-CD2 4.46Å; A424-F428 WeakPolarHBondContact O-CB 3.45Å; A424-F428 PolarHBondContact O-N 3.27Å; M425-F428 HydrophobicContact CE-CB 4.21Å; M425-F428 HydrophobicContact CE-CD1 3.44Å; M425-F428 VanDerWaalsContact CE-CD1 3.44Å; M425-F428 HydrophobicContact CE-CE1 4.05Å; M425-F428 HydrophobicContact CE-CG 4.01Å; M425-F428 WeakPolarHBondContact O-CB 3.47Å; M425-F428 PolarHBondContact O-N 2.77Å; M425-F428 HydrophobicContact SD-CB 4.43Å; I426-F428 VanDerWaalsContact C-N 3.31Å; I426-F428 PolarHBondContact O-N 3.26Å; F428-F430 VanDerWaalsContact C-N 3.29Å; F428-F430 PolarHBondContact O-N 3.35Å; F428-I431 PolarHBondContact O-N 3.15Å; F428-K434 HydrophobicContact CE1-CD 4.1Å; F428-K434 HydrophobicContact CE1-CG 4.36Å; F428-K434 HydrophobicContact CE2-CB 4.12Å; F428-K434 HydrophobicContact CE2-CG 3.95Å; F428-K434 HydrophobicContact CZ-CB 3.96Å; F428-K434 HydrophobicContact CZ-CD 3.87Å; F428-K434 HydrophobicContact CZ-CG 3.73Å; F428-F437 HydrophobicContact CD2-CB 4.37Å; F428-F437 AromaticContact CD2-CD1 3.91Å; F428-F437 HydrophobicContact CD2-CD1 3.91Å; F428-F437 HydrophobicContact CD2-CD2 4.1Å; F428-F437 HydrophobicContact CD2-CE1 4.23Å; F428-F437 HydrophobicContact CD2-CE2 4.4Å; F428-F437 AromaticContact CD2-CG 3.85Å; F428-F437 HydrophobicContact CD2-CG 3.85Å; F428-F437 HydrophobicContact CD2-CZ 4.46Å; F428-F437 HydrophobicContact CE2-CB 4.03Å; F428-F437 AromaticContact CE2-CD1 3.5Å; F428-F437 HydrophobicContact CE2-CD1 3.5Å; F428-F437 HydrophobicContact CE2-CD2 4.43Å; F428-F437 HydrophobicContact CE2-CE1 4.07Å; F428-F437 AromaticContact CE2-CG 3.72Å; F428-F437 HydrophobicContact CE2-CG 3.72Å; F428-F437 HydrophobicContact CZ-CD1 4.48Å; F428-L467 HydrophobicContact CZ-CD2 4.39Å; F428-E470 HydrophobicContact CD1-CB 4.47Å; F428-E470 HydrophobicContact CE1-CB 4.11Å; F428-C471 WeakPolarHBondContact CE1-SG 3.34Å; F428-C471 VanDerWaalsContact CZ-SG 3.55Å; F428-Y475 HydrophobicContact CZ-CE1 4.38Å
429	R	94.2	Very high	93.5	Very high	123 Å²	123	34 Å²	34	46%	0.464	16%	0.163	S	C	.	.	H	α-helix	trans	-60.2	-39.9	176.1	-72.9	174.2	-175.6	148.6	4.9	112.1	M425 I426 L427 I431 K434 E470	M425-R429 WeakPolarHBondContact O-CG 3.4Å; M425-R429 PolarHBondContact O-N 2.8Å; I426-R429 WeakPolarHBondContact O-CB 3.49Å; I426-R429 PolarHBondContact O-N 2.96Å; L427-R429 VanDerWaalsContact C-N 3.25Å; L427-R429 PolarHBondContact O-N 3.23Å; R429-I431 VanDerWaalsContact C-N 3.28Å; R429-I431 PolarHBondContact O-N 3.14Å; R429-K434 PolarHBondContact O-NZ 3.18Å; R429-E470 VanDerWaalsContact CG-OE2 3.32Å; R429-E470 WeakPolarHBondContact CG-OE2 3.38Å; R429-E470 IonicContact CZ-OE1 2.89Å; R429-E470 IonicContact CZ-OE2 3.26Å; R429-E470 VanDerWaalsContact NE-CD 3.25Å; R429-E470 IonicContact NE-OE1 3.18Å; R429-E470 PolarHBondContact NE-OE1 3.37Å; R429-E470 IonicContact NE-OE2 2.85Å; R429-E470 PolarHBondContact NE-OE2 3.15Å; R429-E470 IonicContact NH2-OE1 2.98Å; R429-E470 PolarHBondContact NH2-OE1 3.45Å; R429-E470 IonicContact NH2-OE2 3.25Å
430	F	94.2	Very high	93.5	Very high	11 Å²	11	28.9 Å²	28.9	5%	0.048	14%	0.141	C	C	.	.	H	α-helix	trans	-72.1	-18.4	-179.9	-53.6	-38.9	0	0	0	113.9	Q379 Y382 E383 I386 N387 I426 L427 F428	Q379-F430 HydrophobicContact CB-CE1 4.09Å; Q379-F430 HydrophobicContact CG-CE1 4.06Å; Q379-F430 HydrophobicContact CG-CZ 4.18Å; Y382-F430 AromaticContact CD1-CD2 3.89Å; Y382-F430 HydrophobicContact CD1-CD2 3.89Å; Y382-F430 AromaticContact CD1-CE2 3.86Å; Y382-F430 HydrophobicContact CD1-CE2 3.86Å; Y382-F430 HydrophobicContact CG-CD2 4.13Å; Y382-F430 AromaticContact CG-CE2 3.97Å; Y382-F430 HydrophobicContact CG-CE2 3.97Å; E383-F430 HydrophobicContact CG-CB 4.03Å; E383-F430 HydrophobicContact CG-CD1 3.59Å; E383-F430 HydrophobicContact CG-CE1 4.44Å; E383-F430 HydrophobicContact CG-CG 4.17Å; I386-F430 HydrophobicContact CG2-CB 4Å; I386-F430 WeakPolarHBondContact CG2-O 3.28Å; N387-F430 PolarHBondContact ND2-O 2.87Å; I426-F430 HydrophobicContact CG2-CE2 3.81Å; I426-F430 HydrophobicContact CG2-CZ 3.75Å; I426-F430 WeakPolarHBondContact O-CD2 3.44Å; L427-F430 HydrophobicContact CD2-CD2 4.13Å; L427-F430 HydrophobicContact CD2-CE2 4.38Å; L427-F430 WeakPolarHBondContact O-CB 3.17Å; L427-F430 PolarHBondContact O-N 2.89Å; L427-F430 VanDerWaalsContact O-N 3.09Å; F428-F430 VanDerWaalsContact C-N 3.29Å; F428-F430 PolarHBondContact O-N 3.35Å
431	I	93.8	Very high	93.6	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	14%	0.137	C	C	.	.			trans	-84	127.4	-176.8	-67.8	169.5	0	0	0	110.3	I386 P393 A394 L397 L427 F428 R429 K434	I386-I431 HydrophobicContact CD1-CD1 4.2Å; I386-I431 HydrophobicContact CD1-CG1 3.75Å; I386-I431 HydrophobicContact CG1-CG1 4.23Å; I386-I431 HydrophobicContact CG2-CG1 4.48Å; P393-I431 HydrophobicContact CB-CD1 4.05Å; P393-I431 HydrophobicContact CB-CG1 4.23Å; A394-I431 HydrophobicContact CB-CG2 3.74Å; L397-I431 HydrophobicContact CB-CD1 4.35Å; L397-I431 HydrophobicContact CD2-CD1 3.71Å; L427-I431 WeakPolarHBondContact O-CG1 3.5Å; L427-I431 PolarHBondContact O-N 3.46Å; F428-I431 PolarHBondContact O-N 3.15Å; R429-I431 VanDerWaalsContact C-N 3.28Å; R429-I431 PolarHBondContact O-N 3.14Å; I431-K434 WeakPolarHBondContact O-CG 3.33Å; I431-K434 PolarHBondContact O-NZ 3.42Å
432	D	88.5	Confident	93.5	Very high	83 Å²	83	28.7 Å²	28.7	44%	0.444	14%	0.141	S	C	.	.	S	Bend	trans	-74.6	-39.4	176.3	-71.1	-21.3	0	0	0	112.3	N387 K434 P717	N387-D432 PolarHBondContact OD1-N 3.41Å; D432-K434 PolarHBondContact O-N 2.84Å; D432-P717 HydrophobicContact CB-CG 3.96Å
433	G	88.1	Confident	93.2	Very high	9 Å²	9	26.4 Å²	26.4	9%	0.093	13%	0.127	C	C	.	.			trans	-76	54.8	-177.7	0	0	0	0	0	114.2	A394 D435 I436 F437	A394-G433 VanDerWaalsContact CB-O 3.28Å; A394-G433 WeakPolarHBondContact CB-O 3.45Å; G433-D435 PolarHBondContact O-N 3.26Å; G433-I436 WeakPolarHBondContact O-CB 3.45Å; G433-I436 PolarHBondContact O-N 2.94Å; G433-F437 PolarHBondContact O-N 3.28Å
434	K	91	Very high	93	Very high	63 Å²	63	23 Å²	23	27%	0.274	11%	0.112	S	C	.	.	H	α-helix	trans	-63.2	-38.6	-177.3	-65.9	-179.4	171.2	65.9	0	112.5	F428 R429 I431 D432 I436 F437 E438 Y475	F428-K434 HydrophobicContact CE1-CD 4.1Å; F428-K434 HydrophobicContact CE1-CG 4.36Å; F428-K434 HydrophobicContact CE2-CB 4.12Å; F428-K434 HydrophobicContact CE2-CG 3.95Å; F428-K434 HydrophobicContact CZ-CB 3.96Å; F428-K434 HydrophobicContact CZ-CD 3.87Å; F428-K434 HydrophobicContact CZ-CG 3.73Å; R429-K434 PolarHBondContact O-NZ 3.18Å; I431-K434 WeakPolarHBondContact O-CG 3.33Å; I431-K434 PolarHBondContact O-NZ 3.42Å; D432-K434 PolarHBondContact O-N 2.84Å; K434-I436 VanDerWaalsContact C-N 3.32Å; K434-I436 PolarHBondContact O-N 3.02Å; K434-F437 CarbonylContact O-C 3.6Å; K434-F437 WeakPolarHBondContact O-CA 3.36Å; K434-F437 WeakPolarHBondContact O-CB 3.46Å; K434-F437 PolarHBondContact O-N 2.74Å; K434-F437 VanDerWaalsContact O-N 3.13Å; K434-E438 PolarHBondContact O-N 2.7Å; K434-Y475 HydrophobicContact CB-CE2 4.38Å; K434-Y475 PolarHBondContact O-OH 2.69Å
435	D	90	Very high	92.8	Very high	31 Å²	31	23 Å²	23	17%	0.166	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-32.9	173.7	59.6	-20.8	0	0	0	114.1	G433 E438 A439 V679 R683	G433-D435 PolarHBondContact O-N 3.26Å; D435-E438 WeakPolarHBondContact O-CB 3.16Å; D435-E438 PolarHBondContact O-N 3.39Å; D435-A439 WeakPolarHBondContact O-CB 3.46Å; D435-A439 PolarHBondContact O-N 2.77Å; D435-V679 HydrophobicContact CB-CG1 4.22Å; D435-V679 WeakPolarHBondContact OD2-CG1 3.48Å; D435-R683 VanDerWaalsContact CG-NH2 3.35Å; D435-R683 IonicContact OD1-CZ 2.71Å; D435-R683 IonicContact OD1-NE 3.7Å; D435-R683 IonicContact OD1-NH2 3.35Å; D435-R683 PolarHBondContact OD1-NH2 2.77Å; D435-R683 WeakPolarHBondContact OD2-CG 3.42Å; D435-R683 IonicContact OD2-CZ 2.7Å; D435-R683 IonicContact OD2-NE 3.62Å; D435-R683 PolarHBondContact OD2-NE 2.96Å; D435-R683 IonicContact OD2-NH2 3.85Å; D435-R683 PolarHBondContact OD2-NH2 2.94Å
436	I	92.1	Very high	92.5	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.015	11%	0.111	C	C	.	.	H	α-helix	trans	-64.2	-48	171	-62.8	-76	0	0	0	109.3	N391 A394 G433 K434 E438 A439 F440 V679	N391-I436 HydrophobicContact CB-CD1 4.45Å; N391-I436 HydrophobicContact CB-CG1 4.43Å; N391-I436 HydrophobicContact CB-CG2 4.11Å; A394-I436 HydrophobicContact CB-CB 3.97Å; A394-I436 HydrophobicContact CB-CG2 3.87Å; G433-I436 WeakPolarHBondContact O-CB 3.45Å; G433-I436 PolarHBondContact O-N 2.94Å; K434-I436 VanDerWaalsContact C-N 3.32Å; K434-I436 PolarHBondContact O-N 3.02Å; I436-E438 VanDerWaalsContact C-N 3.31Å; I436-E438 PolarHBondContact O-N 3.39Å; I436-A439 PolarHBondContact O-N 3.25Å; I436-F440 HydrophobicContact CG2-CD2 3.73Å; I436-F440 HydrophobicContact CG2-CE2 3.75Å; I436-F440 VanDerWaalsContact O-CD2 3.26Å; I436-F440 WeakPolarHBondContact O-CD2 3.5Å; I436-F440 PolarHBondContact O-N 3.12Å; I436-F440 VanDerWaalsContact O-N 3.11Å; I436-V679 HydrophobicContact CD1-CB 3.76Å; I436-V679 HydrophobicContact CD1-CG1 3.52Å; I436-V679 HydrophobicContact CD1-CG2 4.17Å; I436-V679 HydrophobicContact CG1-CG1 4.08Å
437	F	95	Very high	92.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.9	-47.1	173.8	173.7	-81.7	0	0	0	110.6	A394 L397 A398 L401 F428 G433 K434 A439 F440 Y441 L467	A394-F437 HydrophobicContact CB-CB 4Å; A394-F437 WeakPolarHBondContact O-CD2 3.08Å; L397-F437 HydrophobicContact CB-CD2 4.13Å; L397-F437 HydrophobicContact CB-CE2 4.19Å; L397-F437 HydrophobicContact CD2-CD2 4.15Å; L397-F437 HydrophobicContact CD2-CE2 4.05Å; L397-F437 HydrophobicContact CG-CD2 4.18Å; L397-F437 HydrophobicContact CG-CE2 3.85Å; A398-F437 HydrophobicContact CB-CD2 3.84Å; A398-F437 HydrophobicContact CB-CE2 3.91Å; A398-F437 HydrophobicContact CB-CG 4.48Å; L401-F437 HydrophobicContact CD1-CE2 3.84Å; L401-F437 HydrophobicContact CD1-CZ 3.7Å; F428-F437 HydrophobicContact CD2-CB 4.37Å; F428-F437 AromaticContact CD2-CD1 3.91Å; F428-F437 HydrophobicContact CD2-CD1 3.91Å; F428-F437 HydrophobicContact CD2-CD2 4.1Å; F428-F437 HydrophobicContact CD2-CE1 4.23Å; F428-F437 HydrophobicContact CD2-CE2 4.4Å; F428-F437 AromaticContact CD2-CG 3.85Å; F428-F437 HydrophobicContact CD2-CG 3.85Å; F428-F437 HydrophobicContact CD2-CZ 4.46Å; F428-F437 HydrophobicContact CE2-CB 4.03Å; F428-F437 AromaticContact CE2-CD1 3.5Å; F428-F437 HydrophobicContact CE2-CD1 3.5Å; F428-F437 HydrophobicContact CE2-CD2 4.43Å; F428-F437 HydrophobicContact CE2-CE1 4.07Å; F428-F437 AromaticContact CE2-CG 3.72Å; F428-F437 HydrophobicContact CE2-CG 3.72Å; F428-F437 HydrophobicContact CZ-CD1 4.48Å; G433-F437 PolarHBondContact O-N 3.28Å; K434-F437 CarbonylContact O-C 3.6Å; K434-F437 WeakPolarHBondContact O-CA 3.36Å; K434-F437 WeakPolarHBondContact O-CB 3.46Å; K434-F437 PolarHBondContact O-N 2.74Å; K434-F437 VanDerWaalsContact O-N 3.13Å; F437-A439 VanDerWaalsContact C-N 3.32Å; F437-A439 PolarHBondContact O-N 3.43Å; F437-F440 PolarHBondContact O-N 3.37Å; F437-Y441 HydrophobicContact CE1-CD2 4.1Å; F437-Y441 AromaticContact CE1-CG 3.93Å; F437-Y441 HydrophobicContact CE1-CG 3.93Å; F437-Y441 HydrophobicContact CE2-CD2 4.46Å; F437-Y441 AromaticContact CZ-CD2 3.71Å; F437-Y441 HydrophobicContact CZ-CD2 3.71Å; F437-Y441 HydrophobicContact CZ-CE2 4.46Å; F437-Y441 HydrophobicContact CZ-CG 4.02Å; F437-Y441 WeakPolarHBondContact O-CB 3.48Å; F437-Y441 PolarHBondContact O-N 2.92Å; F437-L467 HydrophobicContact CE1-CD1 4.26Å; F437-L467 HydrophobicContact CE1-CD2 3.65Å; F437-L467 HydrophobicContact CZ-CD2 4.25Å
438	E	93.7	Very high	91.8	Very high	38 Å²	38	22.1 Å²	22.1	18%	0.178	11%	0.107	C	C	.	.	H	α-helix	trans	-53.8	-48.8	178.1	-165	-164.3	148	0	0	111.2	K434 D435 I436 T442 Y475 M479	K434-E438 PolarHBondContact O-N 2.7Å; D435-E438 WeakPolarHBondContact O-CB 3.16Å; D435-E438 PolarHBondContact O-N 3.39Å; I436-E438 VanDerWaalsContact C-N 3.31Å; I436-E438 PolarHBondContact O-N 3.39Å; E438-T442 WeakPolarHBondContact O-CB 3.3Å; E438-T442 PolarHBondContact O-N 2.93Å; E438-T442 PolarHBondContact O-OG1 3.29Å; E438-Y475 HydrophobicContact CB-CE1 4.33Å; E438-Y475 HydrophobicContact CB-CE2 3.78Å; E438-Y475 WeakPolarHBondContact CB-OH 3.41Å; E438-Y475 HydrophobicContact CG-CD2 4.39Å; E438-Y475 HydrophobicContact CG-CE1 4.17Å; E438-Y475 HydrophobicContact CG-CE2 3.96Å; E438-Y475 PolarHBondContact N-OH 3.5Å; E438-Y475 WeakPolarHBondContact OE2-CE2 3.5Å; E438-M479 HydrophobicContact CG-CE 3.74Å
439	A	91.5	Very high	91.4	Very high	23 Å²	23	23 Å²	23	19%	0.19	11%	0.112	C	C	.	.	H	α-helix	trans	-64	-48.4	-176.9	0	0	0	0	0	112.2	D435 I436 F437 K443 T675 V679	D435-A439 WeakPolarHBondContact O-CB 3.46Å; D435-A439 PolarHBondContact O-N 2.77Å; I436-A439 PolarHBondContact O-N 3.25Å; F437-A439 VanDerWaalsContact C-N 3.32Å; F437-A439 PolarHBondContact O-N 3.43Å; A439-K443 WeakPolarHBondContact O-CB 3.35Å; A439-K443 PolarHBondContact O-N 3.36Å; A439-T675 HydrophobicContact CB-CG2 3.97Å; A439-V679 HydrophobicContact CB-CG2 3.36Å
440	F	92.8	Very high	91	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-66.7	-44.3	177.8	-78.1	-71.5	0	0	0	111.7	E395 A398 I436 F437 K443 E444 Q672 T675 E676	E395-F440 HydrophobicContact CB-CD2 3.85Å; E395-F440 HydrophobicContact CB-CE2 3.89Å; E395-F440 HydrophobicContact CB-CG 4.39Å; E395-F440 HydrophobicContact CB-CZ 4.45Å; E395-F440 HydrophobicContact CG-CD1 4Å; E395-F440 HydrophobicContact CG-CD2 3.76Å; E395-F440 HydrophobicContact CG-CE1 3.93Å; E395-F440 HydrophobicContact CG-CE2 3.69Å; E395-F440 HydrophobicContact CG-CG 3.93Å; E395-F440 HydrophobicContact CG-CZ 3.78Å; A398-F440 HydrophobicContact CB-CB 3.79Å; I436-F440 HydrophobicContact CG2-CD2 3.73Å; I436-F440 HydrophobicContact CG2-CE2 3.75Å; I436-F440 VanDerWaalsContact O-CD2 3.26Å; I436-F440 WeakPolarHBondContact O-CD2 3.5Å; I436-F440 PolarHBondContact O-N 3.12Å; I436-F440 VanDerWaalsContact O-N 3.11Å; F437-F440 PolarHBondContact O-N 3.37Å; F440-K443 PolarHBondContact O-N 3.21Å; F440-E444 WeakPolarHBondContact O-CG 3.5Å; F440-E444 PolarHBondContact O-N 3.25Å; F440-Q672 HydrophobicContact CE1-CB 4.48Å; F440-Q672 HydrophobicContact CE1-CG 4Å; F440-Q672 HydrophobicContact CZ-CG 3.92Å; F440-T675 HydrophobicContact CD1-CG2 4.19Å; F440-T675 HydrophobicContact CE1-CG2 4Å; F440-T675 HydrophobicContact CE2-CG2 4.34Å; F440-T675 HydrophobicContact CG-CG2 4.44Å; F440-T675 HydrophobicContact CZ-CG2 4.07Å; F440-E676 HydrophobicContact CE2-CG 4.07Å; F440-E676 HydrophobicContact CZ-CG 3.95Å
441	Y	95.1	Very high	90.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.8	-44.8	179.1	-172.8	-89.4	0	0	0	111.6	L401 L405 F437 K443 E444 L445 R448 M463 L467 M479	L401-Y441 HydrophobicContact CB-CE2 4.23Å; L401-Y441 HydrophobicContact CD1-CD2 4.46Å; L401-Y441 HydrophobicContact CD1-CE2 4.29Å; L405-Y441 HydrophobicContact CD1-CE2 4.35Å; F437-Y441 HydrophobicContact CE1-CD2 4.1Å; F437-Y441 AromaticContact CE1-CG 3.93Å; F437-Y441 HydrophobicContact CE1-CG 3.93Å; F437-Y441 HydrophobicContact CE2-CD2 4.46Å; F437-Y441 AromaticContact CZ-CD2 3.71Å; F437-Y441 HydrophobicContact CZ-CD2 3.71Å; F437-Y441 HydrophobicContact CZ-CE2 4.46Å; F437-Y441 HydrophobicContact CZ-CG 4.02Å; F437-Y441 WeakPolarHBondContact O-CB 3.48Å; F437-Y441 PolarHBondContact O-N 2.92Å; Y441-K443 VanDerWaalsContact C-N 3.34Å; Y441-K443 PolarHBondContact O-N 3.39Å; Y441-E444 PolarHBondContact O-N 3.5Å; Y441-L445 HydrophobicContact CE1-CB 4.36Å; Y441-L445 HydrophobicContact CE1-CD2 4.19Å; Y441-L445 WeakPolarHBondContact O-CB 3.38Å; Y441-L445 PolarHBondContact O-N 2.98Å; Y441-R448 PolarHBondContact OH-NH2 3.24Å; Y441-M463 HydrophobicContact CE2-CG 4.18Å; Y441-M463 WeakPolarHBondContact OH-CG 3.48Å; Y441-L467 HydrophobicContact CD1-CD1 4.09Å; Y441-L467 HydrophobicContact CE1-CD1 3.87Å; Y441-M479 HydrophobicContact CD1-CE 4.26Å; Y441-M479 HydrophobicContact CD1-SD 3.67Å; Y441-M479 HydrophobicContact CE1-SD 3.85Å
442	T	93.1	Very high	89.5	Confident	13 Å²	13	25.1 Å²	25.1	8%	0.08	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-44.5	176.3	-62.7	0	0	0	0	111	E438 A446 M482 P519	E438-T442 WeakPolarHBondContact O-CB 3.3Å; E438-T442 PolarHBondContact O-N 2.93Å; E438-T442 PolarHBondContact O-OG1 3.29Å; T442-A446 VanDerWaalsContact O-CB 3.3Å; T442-A446 WeakPolarHBondContact O-CB 3.41Å; T442-A446 PolarHBondContact O-N 3.38Å; T442-M482 HydrophobicContact CG2-CE 3.56Å; T442-M482 HydrophobicContact CG2-SD 4.42Å; T442-P519 HydrophobicContact CG2-CG 4.45Å
443	K	89.4	Confident	89.1	Confident	25 Å²	25	22.7 Å²	22.7	11%	0.109	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-45.8	178	-174.1	-179.8	-177.4	-177.9	0	111.9	A439 F440 Y441 A446 K447 P519 E667 E671 T675	A439-K443 WeakPolarHBondContact O-CB 3.35Å; A439-K443 PolarHBondContact O-N 3.36Å; F440-K443 PolarHBondContact O-N 3.21Å; Y441-K443 VanDerWaalsContact C-N 3.34Å; Y441-K443 PolarHBondContact O-N 3.39Å; K443-A446 PolarHBondContact O-N 3.19Å; K443-K447 PolarHBondContact O-N 2.94Å; K443-P519 HydrophobicContact CB-CG 4.35Å; K443-E667 WeakPolarHBondContact CE-OE1 3.23Å; K443-E667 IonicContact NZ-OE1 3.54Å; K443-E667 PolarHBondContact NZ-OE1 3.25Å; K443-E671 PolarHBondContact NZ-O 3.17Å; K443-E671 IonicContact NZ-OE2 3.93Å; K443-T675 PolarHBondContact NZ-OG1 3.34Å
444	E	90	Very high	88.6	Confident	11 Å²	11	23.5 Å²	23.5	5%	0.051	12%	0.123	C	C	.	.	H	α-helix	trans	-72.5	-38.6	-179.4	-71	-52.8	129.9	0	0	112.7	D402 R406 F440 Y441 K447 R448	D402-E444 HydrophobicContact CB-CB 3.96Å; D402-E444 HydrophobicContact CB-CG 4.3Å; R406-E444 IonicContact CZ-OE2 3.28Å; R406-E444 PolarHBondContact NH2-O 2.67Å; R406-E444 IonicContact NH2-OE2 3.15Å; R406-E444 PolarHBondContact NH2-OE2 3.24Å; F440-E444 WeakPolarHBondContact O-CG 3.5Å; F440-E444 PolarHBondContact O-N 3.25Å; Y441-E444 PolarHBondContact O-N 3.5Å; E444-K447 WeakPolarHBondContact O-CB 3.38Å; E444-K447 PolarHBondContact O-N 2.85Å; E444-K447 IonicContact OE1-NZ 2.65Å; E444-K447 PolarHBondContact OE1-NZ 2.83Å; E444-R448 WeakPolarHBondContact O-CG 3.33Å; E444-R448 PolarHBondContact O-N 2.81Å
445	L	92.9	Very high	87.8	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.6	-47.5	171.4	174.4	61.8	0	0	0	111.1	Y441 K447 R448 L449 E460 L464 M479 M482 F483	Y441-L445 HydrophobicContact CE1-CB 4.36Å; Y441-L445 HydrophobicContact CE1-CD2 4.19Å; Y441-L445 WeakPolarHBondContact O-CB 3.38Å; Y441-L445 PolarHBondContact O-N 2.98Å; L445-K447 VanDerWaalsContact C-N 3.29Å; L445-K447 PolarHBondContact O-N 2.78Å; L445-R448 WeakPolarHBondContact O-CB 3.3Å; L445-R448 PolarHBondContact O-N 2.71Å; L445-L449 HydrophobicContact CD1-CD1 4.03Å; L445-L449 HydrophobicContact CD1-CD2 4.39Å; L445-L449 HydrophobicContact CD1-CG 3.91Å; L445-L449 HydrophobicContact CG-CD1 4.03Å; L445-L449 HydrophobicContact CG-CG 4.31Å; L445-L449 WeakPolarHBondContact O-CB 3.31Å; L445-L449 WeakPolarHBondContact O-CG 3.46Å; L445-L449 PolarHBondContact O-N 2.95Å; L445-E460 WeakPolarHBondContact CD1-OE2 3.23Å; L445-L464 HydrophobicContact CD2-CD2 4.42Å; L445-M479 HydrophobicContact CD2-CB 3.74Å; L445-M479 HydrophobicContact CD2-CG 3.93Å; L445-M479 HydrophobicContact CD2-SD 4.2Å; L445-M482 HydrophobicContact CD2-CE 3.84Å; L445-M482 HydrophobicContact CG-CE 4.19Å; L445-F483 HydrophobicContact CD1-CE2 3.99Å; L445-F483 HydrophobicContact CD1-CZ 4.1Å; L445-F483 HydrophobicContact CD2-CE2 4.13Å
446	A	90.5	Very high	87.6	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.2	-45.1	177.7	0	0	0	0	0	111.6	T442 K443 L449 L450 M482 W518 P519 Y521	T442-A446 VanDerWaalsContact O-CB 3.3Å; T442-A446 WeakPolarHBondContact O-CB 3.41Å; T442-A446 PolarHBondContact O-N 3.38Å; K443-A446 PolarHBondContact O-N 3.19Å; A446-L449 PolarHBondContact O-N 3.38Å; A446-L450 WeakPolarHBondContact O-CB 3.23Å; A446-L450 WeakPolarHBondContact O-CG 3.41Å; A446-L450 PolarHBondContact O-N 2.96Å; A446-M482 HydrophobicContact CB-SD 3.73Å; A446-W518 HydrophobicContact CB-CE3 3.75Å; A446-W518 HydrophobicContact CB-CZ3 3.82Å; A446-P519 HydrophobicContact CB-CG 3.66Å; A446-Y521 WeakPolarHBondContact CB-OH 3.36Å
447	K	85.9	Confident	87.2	Confident	26 Å²	26	25 Å²	25	11%	0.113	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-42.8	173.5	-69.4	174.7	-175.8	169.6	0	112	K443 E444 L445 L449 L451	K443-K447 PolarHBondContact O-N 2.94Å; E444-K447 WeakPolarHBondContact O-CB 3.38Å; E444-K447 PolarHBondContact O-N 2.85Å; E444-K447 IonicContact OE1-NZ 2.65Å; E444-K447 PolarHBondContact OE1-NZ 2.83Å; L445-K447 VanDerWaalsContact C-N 3.29Å; L445-K447 PolarHBondContact O-N 2.78Å; K447-L449 VanDerWaalsContact C-N 3.33Å; K447-L449 PolarHBondContact O-N 3.18Å; K447-L451 HydrophobicContact CB-CD1 4.41Å; K447-L451 VanDerWaalsContact O-CB 3.22Å; K447-L451 WeakPolarHBondContact O-CB 3.35Å; K447-L451 WeakPolarHBondContact O-CD1 3.29Å; K447-L451 WeakPolarHBondContact O-CG 3.36Å; K447-L451 PolarHBondContact O-N 3.06Å; K447-L451 VanDerWaalsContact O-N 3.12Å
448	R	89.2	Confident	86.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-41.7	178.3	-74.1	-167.2	-51.5	-88.4	7.5	111.6	D402 R406 Y441 E444 L445 N452 K453 E460	D402-R448 VanDerWaalsContact OD1-CD 3.29Å; D402-R448 WeakPolarHBondContact OD1-CD 3.42Å; D402-R448 WeakPolarHBondContact OD1-CG 3.33Å; D402-R448 IonicContact OD1-CZ 3.96Å; D402-R448 IonicContact OD1-NE 2.76Å; D402-R448 IonicContact OD1-NH1 3.72Å; D402-R448 PolarHBondContact OD1-NH1 2.98Å; R406-R448 HydrophobicContact CG-CG 3.85Å; R406-R448 VanDerWaalsContact CZ-CG 3.48Å; R406-R448 VanDerWaalsContact NH1-CG 3.31Å; Y441-R448 PolarHBondContact OH-NH2 3.24Å; E444-R448 WeakPolarHBondContact O-CG 3.33Å; E444-R448 PolarHBondContact O-N 2.81Å; L445-R448 WeakPolarHBondContact O-CB 3.3Å; L445-R448 PolarHBondContact O-N 2.71Å; R448-N452 PolarHBondContact O-N 2.81Å; R448-K453 PolarHBondContact O-N 2.91Å; R448-E460 WeakPolarHBondContact CD-OE1 3.5Å; R448-E460 IonicContact CZ-OE1 2.67Å; R448-E460 IonicContact CZ-OE2 3.61Å; R448-E460 IonicContact NE-OE1 3.7Å; R448-E460 PolarHBondContact NE-OE1 2.9Å; R448-E460 IonicContact NE-OE2 3.34Å; R448-E460 PolarHBondContact NE-OE2 3.22Å; R448-E460 IonicContact NH2-OE1 2.78Å; R448-E460 IonicContact NH2-OE2 2.69Å; R448-E460 PolarHBondContact NH2-OE2 3.13Å
449	L	89.1	Confident	86.7	Confident	19 Å²	19	28.9 Å²	28.9	10%	0.099	17%	0.166	C	C	.	.	H	α-helix	trans	-68.3	-53.7	179.3	-71.6	-179.1	0	0	0	112.3	L445 A446 K447 L451 N452 M482 F483 I486 W518	L445-L449 HydrophobicContact CD1-CD1 4.03Å; L445-L449 HydrophobicContact CD1-CD2 4.39Å; L445-L449 HydrophobicContact CD1-CG 3.91Å; L445-L449 HydrophobicContact CG-CD1 4.03Å; L445-L449 HydrophobicContact CG-CG 4.31Å; L445-L449 WeakPolarHBondContact O-CB 3.31Å; L445-L449 WeakPolarHBondContact O-CG 3.46Å; L445-L449 PolarHBondContact O-N 2.95Å; A446-L449 PolarHBondContact O-N 3.38Å; K447-L449 VanDerWaalsContact C-N 3.33Å; K447-L449 PolarHBondContact O-N 3.18Å; L449-L451 VanDerWaalsContact C-N 3.32Å; L449-L451 PolarHBondContact O-N 3.4Å; L449-N452 PolarHBondContact O-N 3.11Å; L449-M482 HydrophobicContact CD1-CB 3.8Å; L449-F483 HydrophobicContact CD1-CD2 4.39Å; L449-F483 HydrophobicContact CD1-CE2 4.25Å; L449-F483 HydrophobicContact CD1-CZ 4.41Å; L449-F483 HydrophobicContact CD2-CD1 4.27Å; L449-F483 HydrophobicContact CD2-CE1 3.74Å; L449-F483 HydrophobicContact CD2-CE2 4.46Å; L449-F483 HydrophobicContact CD2-CZ 3.81Å; L449-I486 HydrophobicContact CB-CD1 4.32Å; L449-I486 HydrophobicContact CB-CG1 4.08Å; L449-I486 HydrophobicContact CD1-CG1 4.44Å; L449-W518 HydrophobicContact CB-CH2 4.22Å; L449-W518 HydrophobicContact CD1-CH2 4.33Å
450	L	85.4	Confident	86.7	Confident	15 Å²	15	27.8 Å²	27.8	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-36.9	-176.8	-71.8	167.4	0	0	0	112.8	A446 N452 I486 N511 I513 W518 L558	A446-L450 WeakPolarHBondContact O-CB 3.23Å; A446-L450 WeakPolarHBondContact O-CG 3.41Å; A446-L450 PolarHBondContact O-N 2.96Å; L450-N452 VanDerWaalsContact C-N 3.3Å; L450-I486 HydrophobicContact CD2-CD1 4.27Å; L450-N511 HydrophobicContact CD2-CB 4.04Å; L450-I513 HydrophobicContact CD2-CG2 4.29Å; L450-W518 HydrophobicContact CD1-CE3 3.94Å; L450-W518 HydrophobicContact CD1-CZ3 3.64Å; L450-W518 HydrophobicContact CD2-CH2 4.04Å; L450-W518 HydrophobicContact CD2-CZ3 3.91Å; L450-W518 HydrophobicContact CG-CE3 4.26Å; L450-W518 HydrophobicContact CG-CH2 4Å; L450-W518 HydrophobicContact CG-CZ3 3.48Å; L450-W518 VanDerWaalsContact CG-CZ3 3.48Å; L450-L558 HydrophobicContact CD1-CD1 4.03Å; L450-L558 HydrophobicContact CD1-CD2 4.03Å; L450-L558 HydrophobicContact CD1-CG 4.46Å
451	L	78.7	Confident	86.7	Confident	26 Å²	26	33.3 Å²	33.3	14%	0.136	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4.8	-177.5	-55.5	172.2	0	0	0	112.9	K447 L449 K453 T560 L665	K447-L451 HydrophobicContact CB-CD1 4.41Å; K447-L451 VanDerWaalsContact O-CB 3.22Å; K447-L451 WeakPolarHBondContact O-CB 3.35Å; K447-L451 WeakPolarHBondContact O-CD1 3.29Å; K447-L451 WeakPolarHBondContact O-CG 3.36Å; K447-L451 PolarHBondContact O-N 3.06Å; K447-L451 VanDerWaalsContact O-N 3.12Å; L449-L451 VanDerWaalsContact C-N 3.32Å; L449-L451 PolarHBondContact O-N 3.4Å; L451-K453 HydrophobicContact CB-CD 4.22Å; L451-K453 HydrophobicContact CB-CG 3.84Å; L451-K453 WeakPolarHBondContact O-CG 3.4Å; L451-K453 PolarHBondContact O-N 3.3Å; L451-T560 HydrophobicContact CD2-CG2 3.55Å; L451-L665 HydrophobicContact CD1-CD1 4.01Å; L451-L665 HydrophobicContact CD1-CD2 3.17Å; L451-L665 HydrophobicContact CD1-CG 4.25Å
452	N	78.5	Confident	86.6	Confident	141 Å²	141	34.8 Å²	34.8	75%	0.754	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.3	49.5	-175.8	-164.2	30.6	0	0	0	112.1	R448 L449 L450	R448-N452 PolarHBondContact O-N 2.81Å; L449-N452 PolarHBondContact O-N 3.11Å; L450-N452 VanDerWaalsContact C-N 3.3Å
453	K	78.4	Confident	86.6	Confident	33 Å²	33	34.1 Å²	34.1	14%	0.143	19%	0.19	C	C	.	.			trans	-108.6	2.2	-177.1	-69.1	-162	-179.2	-157.6	0	113.9	R448 L451 L665	R448-K453 PolarHBondContact O-N 2.91Å; L451-K453 HydrophobicContact CB-CD 4.22Å; L451-K453 HydrophobicContact CB-CG 3.84Å; L451-K453 WeakPolarHBondContact O-CG 3.4Å; L451-K453 PolarHBondContact O-N 3.3Å; K453-L665 HydrophobicContact CD-CD1 4.07Å; K453-L665 VanDerWaalsContact CE-CD1 3.46Å
454	S	78.6	Confident	86.8	Confident	26 Å²	26	33.4 Å²	33.4	18%	0.182	19%	0.187	C	C	.	.			trans	-68.9	136.5	170.6	-173.3	0	0	0	0	109.5	S456 E460	S454-S456 PolarHBondContact OG-O 3.36Å; S454-E460 VanDerWaalsContact CB-OE1 3.27Å; S454-E460 WeakPolarHBondContact CB-OE1 3.33Å; S454-E460 VanDerWaalsContact OG-CD 3.28Å; S454-E460 WeakPolarHBondContact OG-CG 3.42Å; S454-E460 PolarHBondContact OG-OE1 3.49Å
455	A	74.9	Confident	87.1	Confident	44 Å²	44	36.6 Å²	36.6	36%	0.364	21%	0.21	S	C	.	.	S	Bend	trans	-82.2	-28.8	-179.5	0	0	0	0	0	113.2	L405	L405-A455 WeakPolarHBondContact O-CB 3.43Å; L405-A455 PolarHBondContact O-N 2.95Å; L405-A455 VanDerWaalsContact O-N 3.1Å
456	S	83.9	Confident	87.2	Confident	14 Å²	14	38 Å²	38	10%	0.098	22%	0.216	C	C	.	.			trans	-147.9	120.7	177.1	175.3	0	0	0	0	109.5	E414 S454 D458 A459 E460	E414-S456 PolarHBondContact OE1-OG 2.93Å; S454-S456 PolarHBondContact OG-O 3.36Å; S456-D458 PolarHBondContact O-N 3.2Å; S456-D458 PolarHBondContact OG-N 3.26Å; S456-A459 PolarHBondContact O-N 3.49Å; S456-A459 PolarHBondContact OG-N 3.1Å; S456-E460 WeakPolarHBondContact O-CG 3.47Å; S456-E460 PolarHBondContact O-N 3.47Å
457	V	85.1	Confident	87.5	Confident	71 Å²	71	38 Å²	38	43%	0.43	22%	0.216	S	C	.	.	H	α-helix	trans	-64.1	-33	175.2	176	0	0	0	0	110.4	E460 K461 F483	V457-E460 PolarHBondContact O-N 3.02Å; V457-K461 HydrophobicContact CG1-CD 4.42Å; V457-K461 WeakPolarHBondContact O-CG 3.38Å; V457-K461 PolarHBondContact O-N 3.47Å; V457-F483 HydrophobicContact CG1-CE1 4.42Å
458	D	88.3	Confident	87.9	Confident	108 Å²	108	40.6 Å²	40.6	58%	0.578	23%	0.228	S	C	*	.	H	α-helix	trans	-70	-40.3	179.2	-64.7	-30.1	0	0	0	110.9	S456 E460 K461 A462	S456-D458 PolarHBondContact O-N 3.2Å; S456-D458 PolarHBondContact OG-N 3.26Å; D458-E460 VanDerWaalsContact C-N 3.34Å; D458-E460 PolarHBondContact O-N 2.89Å; D458-K461 PolarHBondContact O-N 2.91Å; D458-A462 WeakPolarHBondContact O-CB 3.49Å; D458-A462 PolarHBondContact O-N 3.1Å
459	A	90.1	Very high	88.1	Confident	10 Å²	10	47.9 Å²	47.9	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-41	172.2	0	0	0	0	0	112.4	L405 L417 S456 A462 M463	L405-A459 HydrophobicContact CD2-CB 4.03Å; L417-A459 HydrophobicContact CD2-CB 3.66Å; S456-A459 PolarHBondContact O-N 3.49Å; S456-A459 PolarHBondContact OG-N 3.1Å; A459-A462 PolarHBondContact O-N 2.72Å; A459-M463 PolarHBondContact O-N 3.28Å
460	E	90.8	Very high	88.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-41.2	177.3	-58.6	-84	-173.6	0	0	112.3	L445 R448 S454 S456 V457 D458 A462 M463 L464 F483	L445-E460 WeakPolarHBondContact CD1-OE2 3.23Å; R448-E460 WeakPolarHBondContact CD-OE1 3.5Å; R448-E460 IonicContact CZ-OE1 2.67Å; R448-E460 IonicContact CZ-OE2 3.61Å; R448-E460 IonicContact NE-OE1 3.7Å; R448-E460 PolarHBondContact NE-OE1 2.9Å; R448-E460 IonicContact NE-OE2 3.34Å; R448-E460 PolarHBondContact NE-OE2 3.22Å; R448-E460 IonicContact NH2-OE1 2.78Å; R448-E460 IonicContact NH2-OE2 2.69Å; R448-E460 PolarHBondContact NH2-OE2 3.13Å; S454-E460 VanDerWaalsContact CB-OE1 3.27Å; S454-E460 WeakPolarHBondContact CB-OE1 3.33Å; S454-E460 VanDerWaalsContact OG-CD 3.28Å; S454-E460 WeakPolarHBondContact OG-CG 3.42Å; S454-E460 PolarHBondContact OG-OE1 3.49Å; S456-E460 WeakPolarHBondContact O-CG 3.47Å; S456-E460 PolarHBondContact O-N 3.47Å; V457-E460 PolarHBondContact O-N 3.02Å; D458-E460 VanDerWaalsContact C-N 3.34Å; D458-E460 PolarHBondContact O-N 2.89Å; E460-A462 VanDerWaalsContact C-N 3.33Å; E460-M463 PolarHBondContact O-N 2.93Å; E460-L464 PolarHBondContact O-N 3.29Å; E460-F483 HydrophobicContact CB-CE1 4.2Å; E460-F483 HydrophobicContact CB-CE2 4.43Å; E460-F483 HydrophobicContact CB-CZ 3.51Å; E460-F483 HydrophobicContact CG-CZ 4.26Å
461	K	91.8	Very high	88.4	Confident	117 Å²	117	51 Å²	51	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-64.7	-39.2	175.3	-75.3	177.8	179.7	174.3	0	111.5	V457 D458 L464 S465	V457-K461 HydrophobicContact CG1-CD 4.42Å; V457-K461 WeakPolarHBondContact O-CG 3.38Å; V457-K461 PolarHBondContact O-N 3.47Å; D458-K461 PolarHBondContact O-N 2.91Å; K461-L464 PolarHBondContact O-N 2.98Å; K461-S465 WeakPolarHBondContact O-CB 3.21Å; K461-S465 PolarHBondContact O-N 3.33Å
462	A	93	Very high	89	Confident	31 Å²	31	50.8 Å²	50.8	26%	0.256	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-47	174.5	0	0	0	0	0	110.9	M421 D458 A459 E460 L464 S465 K466	M421-A462 HydrophobicContact CE-CB 4.12Å; D458-A462 WeakPolarHBondContact O-CB 3.49Å; D458-A462 PolarHBondContact O-N 3.1Å; A459-A462 PolarHBondContact O-N 2.72Å; E460-A462 VanDerWaalsContact C-N 3.33Å; A462-L464 VanDerWaalsContact C-N 3.34Å; A462-L464 PolarHBondContact O-N 3.44Å; A462-S465 WeakPolarHBondContact O-CB 3.37Å; A462-S465 PolarHBondContact O-N 2.88Å; A462-S465 VanDerWaalsContact O-N 3.15Å; A462-K466 WeakPolarHBondContact O-CG 3.33Å; A462-K466 PolarHBondContact O-N 2.88Å
463	M	94.5	Very high	89.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-43.5	176.1	-168.1	60.7	-149.5	0	0	112.1	L401 M421 M425 Y441 A459 E460 S465 K466 L467	L401-M463 HydrophobicContact CD1-CE 3.56Å; L401-M463 HydrophobicContact CD1-SD 4.24Å; L401-M463 HydrophobicContact CD2-SD 4.25Å; M421-M463 HydrophobicContact CB-SD 4.01Å; M421-M463 HydrophobicContact CG-SD 3.77Å; M421-M463 HydrophobicContact SD-CB 3.65Å; M421-M463 HydrophobicContact SD-CG 4.13Å; M421-M463 HydrophobicContact SD-SD 3.69Å; M421-M463 VanDerWaalsContact SD-SD 3.69Å; M425-M463 HydrophobicContact CG-CE 4.3Å; M425-M463 HydrophobicContact SD-CE 3.31Å; M425-M463 WeakPolarHBondContact SD-CE 3.28Å; Y441-M463 HydrophobicContact CE2-CG 4.18Å; Y441-M463 WeakPolarHBondContact OH-CG 3.48Å; A459-M463 PolarHBondContact O-N 3.28Å; E460-M463 PolarHBondContact O-N 2.93Å; M463-S465 PolarHBondContact O-N 3.14Å; M463-K466 PolarHBondContact O-N 3.45Å; M463-L467 HydrophobicContact CE-CD1 4.19Å; M463-L467 HydrophobicContact CE-CD2 3.97Å; M463-L467 HydrophobicContact CE-CG 3.88Å; M463-L467 WeakPolarHBondContact O-CG 3.27Å; M463-L467 PolarHBondContact O-N 2.96Å
464	L	93.8	Very high	90	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.052	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-40.3	174.9	-76.4	-175.9	0	0	0	112.9	L445 E460 K461 A462 K466 L467 K468 M479 F483	L445-L464 HydrophobicContact CD2-CD2 4.42Å; E460-L464 PolarHBondContact O-N 3.29Å; K461-L464 PolarHBondContact O-N 2.98Å; A462-L464 VanDerWaalsContact C-N 3.34Å; A462-L464 PolarHBondContact O-N 3.44Å; L464-K466 VanDerWaalsContact C-N 3.32Å; L464-K466 PolarHBondContact O-N 3.26Å; L464-L467 HydrophobicContact CD2-CD1 4.49Å; L464-L467 PolarHBondContact O-N 3.37Å; L464-K468 VanDerWaalsContact O-CB 3.31Å; L464-K468 WeakPolarHBondContact O-CB 3.36Å; L464-K468 PolarHBondContact O-N 3.23Å; L464-M479 HydrophobicContact CD1-CB 4.25Å; L464-M479 HydrophobicContact CD2-CB 3.45Å; L464-M479 VanDerWaalsContact CD2-CB 3.45Å; L464-M479 HydrophobicContact CD2-CG 4.06Å; L464-M479 HydrophobicContact CD2-SD 3.41Å; L464-M479 WeakPolarHBondContact CD2-SD 3.47Å; L464-F483 HydrophobicContact CD1-CD2 3.38Å; L464-F483 HydrophobicContact CD1-CE2 3.28Å; L464-F483 HydrophobicContact CD1-CZ 4.36Å; L464-F483 HydrophobicContact CG-CE2 4.24Å
465	S	95.5	Very high	90.6	Very high	77 Å²	77	52.6 Å²	52.6	54%	0.538	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-44.2	176	-168.8	0	0	0	0	111.3	K461 A462 M463 K468 Q469	K461-S465 WeakPolarHBondContact O-CB 3.21Å; K461-S465 PolarHBondContact O-N 3.33Å; A462-S465 WeakPolarHBondContact O-CB 3.37Å; A462-S465 PolarHBondContact O-N 2.88Å; A462-S465 VanDerWaalsContact O-N 3.15Å; M463-S465 PolarHBondContact O-N 3.14Å; S465-K468 WeakPolarHBondContact O-CB 3.46Å; S465-K468 PolarHBondContact O-N 3.13Å; S465-Q469 PolarHBondContact O-N 3.4Å
466	K	96	Very high	91.5	Very high	30 Å²	30	50.5 Å²	50.5	13%	0.13	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-44.5	176.4	-64	177.5	-158.5	-83.6	0	111.7	D418 M421 D422 M425 A462 M463 L464 K468 Q469 E470	D418-K466 WeakPolarHBondContact OD1-CE 3.5Å; D418-K466 IonicContact OD1-NZ 3.85Å; D418-K466 PolarHBondContact OD1-NZ 3.22Å; D418-K466 IonicContact OD2-NZ 2.87Å; M421-K466 HydrophobicContact CB-CD 4.14Å; D422-K466 WeakPolarHBondContact OD1-CE 3.44Å; D422-K466 IonicContact OD1-NZ 2.68Å; D422-K466 PolarHBondContact OD1-NZ 3.31Å; D422-K466 IonicContact OD2-NZ 3.31Å; M425-K466 HydrophobicContact CG-CB 4.03Å; M425-K466 HydrophobicContact CG-CD 4.27Å; M425-K466 HydrophobicContact SD-CB 4.42Å; A462-K466 WeakPolarHBondContact O-CG 3.33Å; A462-K466 PolarHBondContact O-N 2.88Å; M463-K466 PolarHBondContact O-N 3.45Å; L464-K466 VanDerWaalsContact C-N 3.32Å; L464-K466 PolarHBondContact O-N 3.26Å; K466-K468 VanDerWaalsContact C-N 3.31Å; K466-K468 PolarHBondContact O-N 3.49Å; K466-Q469 WeakPolarHBondContact O-CB 3.32Å; K466-Q469 PolarHBondContact O-N 3.33Å; K466-E470 PolarHBondContact O-N 3.39Å; K466-E470 VanDerWaalsContact O-N 3.15Å
467	L	95.5	Very high	91.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-38.3	175	-70.3	171.3	0	0	0	112.6	M425 F428 F437 Y441 M463 L464 Q469 E470 C471 Y475 T476 M479	M425-L467 HydrophobicContact CE-CD2 3.99Å; M425-L467 HydrophobicContact SD-CD2 3.97Å; F428-L467 HydrophobicContact CZ-CD2 4.39Å; F437-L467 HydrophobicContact CE1-CD1 4.26Å; F437-L467 HydrophobicContact CE1-CD2 3.65Å; F437-L467 HydrophobicContact CZ-CD2 4.25Å; Y441-L467 HydrophobicContact CD1-CD1 4.09Å; Y441-L467 HydrophobicContact CE1-CD1 3.87Å; M463-L467 HydrophobicContact CE-CD1 4.19Å; M463-L467 HydrophobicContact CE-CD2 3.97Å; M463-L467 HydrophobicContact CE-CG 3.88Å; M463-L467 WeakPolarHBondContact O-CG 3.27Å; M463-L467 PolarHBondContact O-N 2.96Å; L464-L467 HydrophobicContact CD2-CD1 4.49Å; L464-L467 PolarHBondContact O-N 3.37Å; L467-Q469 VanDerWaalsContact C-N 3.34Å; L467-E470 PolarHBondContact O-N 3.16Å; L467-C471 PolarHBondContact O-N 3.4Å; L467-Y475 HydrophobicContact CD2-CE1 4.32Å; L467-T476 HydrophobicContact CB-CG2 3.78Å; L467-M479 HydrophobicContact CD1-SD 4.29Å
468	K	95.1	Very high	92.2	Very high	80 Å²	80	57.8 Å²	57.8	35%	0.348	30%	0.298	S	S	.	.	H	α-helix	trans	-66.4	-36.5	176.7	-172.7	177	-165.3	154.8	0	112	L464 S465 K466 G472 T476 E480	L464-K468 VanDerWaalsContact O-CB 3.31Å; L464-K468 WeakPolarHBondContact O-CB 3.36Å; L464-K468 PolarHBondContact O-N 3.23Å; S465-K468 WeakPolarHBondContact O-CB 3.46Å; S465-K468 PolarHBondContact O-N 3.13Å; K466-K468 VanDerWaalsContact C-N 3.31Å; K466-K468 PolarHBondContact O-N 3.49Å; K468-G472 CarbonylContact O-C 3.6Å; K468-G472 WeakPolarHBondContact O-CA 3.46Å; K468-G472 PolarHBondContact O-N 2.96Å; K468-T476 HydrophobicContact CB-CG2 3.83Å; K468-E480 WeakPolarHBondContact CD-OE1 3.49Å; K468-E480 WeakPolarHBondContact CE-OE1 3.41Å; K468-E480 IonicContact NZ-OE1 3.25Å; K468-E480 PolarHBondContact NZ-OE1 3.12Å; K468-E480 IonicContact NZ-OE2 2.67Å
469	Q	93.9	Very high	92.5	Very high	153 Å²	153	52.6 Å²	52.6	72%	0.715	27%	0.27	S	S	*	.	H	α-helix	trans	-66.1	-39.8	175.8	-175.2	175.5	9.3	0	0	111.6	S465 K466 L467	S465-Q469 PolarHBondContact O-N 3.4Å; K466-Q469 WeakPolarHBondContact O-CB 3.32Å; K466-Q469 PolarHBondContact O-N 3.33Å; L467-Q469 VanDerWaalsContact C-N 3.34Å
470	E	90.8	Very high	92.7	Very high	62 Å²	62	54.8 Å²	54.8	29%	0.29	28%	0.278	S	S	.	.	H	α-helix	trans	-78.3	-41.5	-178.3	-66.2	-53.6	131.8	0	0	114.1	M425 F428 R429 K466 L467	M425-E470 HydrophobicContact CE-CB 4.02Å; M425-E470 HydrophobicContact CE-CG 3.29Å; F428-E470 HydrophobicContact CD1-CB 4.47Å; F428-E470 HydrophobicContact CE1-CB 4.11Å; R429-E470 VanDerWaalsContact CG-OE2 3.32Å; R429-E470 WeakPolarHBondContact CG-OE2 3.38Å; R429-E470 IonicContact CZ-OE1 2.89Å; R429-E470 IonicContact CZ-OE2 3.26Å; R429-E470 VanDerWaalsContact NE-CD 3.25Å; R429-E470 IonicContact NE-OE1 3.18Å; R429-E470 PolarHBondContact NE-OE1 3.37Å; R429-E470 IonicContact NE-OE2 2.85Å; R429-E470 PolarHBondContact NE-OE2 3.15Å; R429-E470 IonicContact NH2-OE1 2.98Å; R429-E470 PolarHBondContact NH2-OE1 3.45Å; R429-E470 IonicContact NH2-OE2 3.25Å; K466-E470 PolarHBondContact O-N 3.39Å; K466-E470 VanDerWaalsContact O-N 3.15Å; L467-E470 PolarHBondContact O-N 3.16Å
471	C	89.1	Confident	92.9	Very high	38 Å²	38	56.2 Å²	56.2	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-117	-1.7	-171.5	-63	0	0	0	0	114	F428 L467 Y475	F428-C471 WeakPolarHBondContact CE1-SG 3.34Å; F428-C471 VanDerWaalsContact CZ-SG 3.55Å; L467-C471 PolarHBondContact O-N 3.4Å; C471-Y475 VanDerWaalsContact CB-CB 3.49Å; C471-Y475 HydrophobicContact CB-CD1 3.61Å; C471-Y475 HydrophobicContact CB-CD2 3.73Å; C471-Y475 HydrophobicContact CB-CE1 4.2Å; C471-Y475 HydrophobicContact CB-CE2 4.3Å; C471-Y475 HydrophobicContact CB-CG 3.32Å
472	G	90.5	Very high	93	Very high	22 Å²	22	50.6 Å²	50.6	23%	0.227	26%	0.263	C	S	.	.			trans	81.8	173.4	-179.8	0	0	0	0	0	114.5	K468 N474 Y475	K468-G472 CarbonylContact O-C 3.6Å; K468-G472 WeakPolarHBondContact O-CA 3.46Å; K468-G472 PolarHBondContact O-N 2.96Å; G472-N474 VanDerWaalsContact C-N 3.31Å; G472-N474 PolarHBondContact O-N 3.37Å; G472-Y475 WeakPolarHBondContact O-CB 3.34Å; G472-Y475 PolarHBondContact O-N 3.13Å
473	P	91.3	Very high	93	Very high	78 Å²	78	50.8 Å²	50.8	51%	0.506	26%	0.258	S	S	.	.	H	α-helix	trans	-66.2	-28.2	-173.6	25.8	-35.1	0	0	0	114.2	Y475 T476 R477	P473-Y475 VanDerWaalsContact C-N 3.27Å; P473-Y475 PolarHBondContact O-N 2.77Å; P473-T476 PolarHBondContact O-N 2.96Å; P473-T476 PolarHBondContact O-OG1 2.8Å; P473-R477 PolarHBondContact O-N 3.22Å
474	N	88.5	Confident	92.9	Very high	135 Å²	135	56.3 Å²	56.3	72%	0.722	28%	0.284	S	S	*	.	H	α-helix	trans	-66.2	-34.5	180	-72.2	-30.9	0	0	0	111.8	G472	G472-N474 VanDerWaalsContact C-N 3.31Å; G472-N474 PolarHBondContact O-N 3.37Å
475	Y	90.1	Very high	92.9	Very high	25 Å²	25	56.8 Å²	56.8	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-69.2	-36.9	179.6	-170.8	-94.2	0	0	0	112.1	F428 K434 E438 L467 C471 G472 P473 M479	F428-Y475 HydrophobicContact CZ-CE1 4.38Å; K434-Y475 HydrophobicContact CB-CE2 4.38Å; K434-Y475 PolarHBondContact O-OH 2.69Å; E438-Y475 HydrophobicContact CB-CE1 4.33Å; E438-Y475 HydrophobicContact CB-CE2 3.78Å; E438-Y475 WeakPolarHBondContact CB-OH 3.41Å; E438-Y475 HydrophobicContact CG-CD2 4.39Å; E438-Y475 HydrophobicContact CG-CE1 4.17Å; E438-Y475 HydrophobicContact CG-CE2 3.96Å; E438-Y475 PolarHBondContact N-OH 3.5Å; E438-Y475 WeakPolarHBondContact OE2-CE2 3.5Å; L467-Y475 HydrophobicContact CD2-CE1 4.32Å; C471-Y475 VanDerWaalsContact CB-CB 3.49Å; C471-Y475 HydrophobicContact CB-CD1 3.61Å; C471-Y475 HydrophobicContact CB-CD2 3.73Å; C471-Y475 HydrophobicContact CB-CE1 4.2Å; C471-Y475 HydrophobicContact CB-CE2 4.3Å; C471-Y475 HydrophobicContact CB-CG 3.32Å; G472-Y475 WeakPolarHBondContact O-CB 3.34Å; G472-Y475 PolarHBondContact O-N 3.13Å; P473-Y475 VanDerWaalsContact C-N 3.27Å; P473-Y475 PolarHBondContact O-N 2.77Å; Y475-M479 HydrophobicContact CE1-CE 4.38Å
476	T	93.5	Very high	92.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-91.6	-7.5	-179.7	59.4	0	0	0	0	114.2	L467 K468 P473 K478 M479 E480	L467-T476 HydrophobicContact CB-CG2 3.78Å; K468-T476 HydrophobicContact CB-CG2 3.83Å; P473-T476 PolarHBondContact O-N 2.96Å; P473-T476 PolarHBondContact O-OG1 2.8Å; T476-K478 PolarHBondContact O-N 2.84Å; T476-M479 WeakPolarHBondContact O-CA 3.49Å; T476-M479 WeakPolarHBondContact O-CB 3.43Å; T476-M479 PolarHBondContact O-N 3.15Å; T476-E480 WeakPolarHBondContact O-CG 3.33Å; T476-E480 PolarHBondContact O-N 3.37Å; T476-E480 PolarHBondContact OG1-OE1 3.11Å
477	R	92.5	Very high	92.5	Very high	155 Å²	155	56.7 Å²	56.7	59%	0.585	28%	0.278	S	S	*	.	H	α-helix	trans	-50.9	-49.9	-171.7	-168.1	-177.4	86	-172	5.5	113.6	P473 M479 E480 T481	P473-R477 PolarHBondContact O-N 3.22Å; R477-M479 VanDerWaalsContact C-N 3.33Å; R477-M479 PolarHBondContact O-N 3.39Å; R477-E480 PolarHBondContact O-N 2.94Å; R477-T481 PolarHBondContact O-N 3.41Å; R477-T481 PolarHBondContact O-OG1 2.8Å; R477-T481 VanDerWaalsContact O-OG1 3.06Å
478	K	91.6	Very high	92.4	Very high	82 Å²	82	61.8 Å²	61.8	36%	0.357	31%	0.305	S	S	.	.	H	α-helix	trans	-59.9	-46	179.7	-70.7	178.5	-178	167.7	0	110.7	T476 T481 M482	T476-K478 PolarHBondContact O-N 2.84Å; K478-T481 WeakPolarHBondContact O-CB 3.31Å; K478-T481 PolarHBondContact O-N 3.08Å; K478-M482 WeakPolarHBondContact O-CG 3.26Å; K478-M482 PolarHBondContact O-N 3.49Å
479	M	94.2	Very high	92.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-42.1	180	-52.9	179.2	-141	0	0	112.4	E438 Y441 L445 L464 L467 Y475 T476 R477 T481 M482 F483	E438-M479 HydrophobicContact CG-CE 3.74Å; Y441-M479 HydrophobicContact CD1-CE 4.26Å; Y441-M479 HydrophobicContact CD1-SD 3.67Å; Y441-M479 HydrophobicContact CE1-SD 3.85Å; L445-M479 HydrophobicContact CD2-CB 3.74Å; L445-M479 HydrophobicContact CD2-CG 3.93Å; L445-M479 HydrophobicContact CD2-SD 4.2Å; L464-M479 HydrophobicContact CD1-CB 4.25Å; L464-M479 HydrophobicContact CD2-CB 3.45Å; L464-M479 VanDerWaalsContact CD2-CB 3.45Å; L464-M479 HydrophobicContact CD2-CG 4.06Å; L464-M479 HydrophobicContact CD2-SD 3.41Å; L464-M479 WeakPolarHBondContact CD2-SD 3.47Å; L467-M479 HydrophobicContact CD1-SD 4.29Å; Y475-M479 HydrophobicContact CE1-CE 4.38Å; T476-M479 WeakPolarHBondContact O-CA 3.49Å; T476-M479 WeakPolarHBondContact O-CB 3.43Å; T476-M479 PolarHBondContact O-N 3.15Å; R477-M479 VanDerWaalsContact C-N 3.33Å; R477-M479 PolarHBondContact O-N 3.39Å; M479-T481 VanDerWaalsContact C-N 3.34Å; M479-T481 PolarHBondContact O-N 3.39Å; M479-M482 HydrophobicContact CB-CE 4.09Å; M479-M482 HydrophobicContact CG-CE 3.97Å; M479-M482 WeakPolarHBondContact O-CB 3.47Å; M479-M482 PolarHBondContact O-N 3.27Å; M479-M482 VanDerWaalsContact O-N 3.16Å; M479-F483 WeakPolarHBondContact O-CD2 3.48Å; M479-F483 PolarHBondContact O-N 3.21Å
480	E	94.1	Very high	92.2	Very high	55 Å²	55	55.7 Å²	55.7	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-61.1	-41.7	173.7	-69.3	178.9	173.2	0	0	111.6	K468 T476 R477 M482 F483 Q484	K468-E480 WeakPolarHBondContact CD-OE1 3.49Å; K468-E480 WeakPolarHBondContact CE-OE1 3.41Å; K468-E480 IonicContact NZ-OE1 3.25Å; K468-E480 PolarHBondContact NZ-OE1 3.12Å; K468-E480 IonicContact NZ-OE2 2.67Å; T476-E480 WeakPolarHBondContact O-CG 3.33Å; T476-E480 PolarHBondContact O-N 3.37Å; T476-E480 PolarHBondContact OG1-OE1 3.11Å; R477-E480 PolarHBondContact O-N 2.94Å; E480-M482 VanDerWaalsContact C-N 3.34Å; E480-M482 PolarHBondContact O-N 3.01Å; E480-F483 PolarHBondContact O-N 3.04Å; E480-Q484 WeakPolarHBondContact O-CG 3.5Å; E480-Q484 PolarHBondContact O-N 3.04Å; E480-Q484 VanDerWaalsContact O-N 3.13Å
481	T	94.9	Very high	92.2	Very high	30 Å²	30	57.4 Å²	57.4	18%	0.184	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-39.9	173.1	-55.4	0	0	0	0	111.8	R477 K478 M479 F483 Q484 D485 S517	R477-T481 PolarHBondContact O-N 3.41Å; R477-T481 PolarHBondContact O-OG1 2.8Å; R477-T481 VanDerWaalsContact O-OG1 3.06Å; K478-T481 WeakPolarHBondContact O-CB 3.31Å; K478-T481 PolarHBondContact O-N 3.08Å; M479-T481 VanDerWaalsContact C-N 3.34Å; M479-T481 PolarHBondContact O-N 3.39Å; T481-F483 VanDerWaalsContact C-N 3.28Å; T481-F483 PolarHBondContact O-N 3.29Å; T481-Q484 PolarHBondContact O-N 3.43Å; T481-Q484 VanDerWaalsContact O-N 3.12Å; T481-D485 PolarHBondContact O-N 3.36Å; T481-S517 WeakPolarHBondContact CG2-OG 3.39Å
482	M	94.3	Very high	92.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-38.7	176.1	-65.6	-167.2	-78.1	0	0	112.1	T442 L445 A446 L449 K478 M479 E480 I486 W518	T442-M482 HydrophobicContact CG2-CE 3.56Å; T442-M482 HydrophobicContact CG2-SD 4.42Å; L445-M482 HydrophobicContact CD2-CE 3.84Å; L445-M482 HydrophobicContact CG-CE 4.19Å; A446-M482 HydrophobicContact CB-SD 3.73Å; L449-M482 HydrophobicContact CD1-CB 3.8Å; K478-M482 WeakPolarHBondContact O-CG 3.26Å; K478-M482 PolarHBondContact O-N 3.49Å; M479-M482 HydrophobicContact CB-CE 4.09Å; M479-M482 HydrophobicContact CG-CE 3.97Å; M479-M482 WeakPolarHBondContact O-CB 3.47Å; M479-M482 PolarHBondContact O-N 3.27Å; M479-M482 VanDerWaalsContact O-N 3.16Å; E480-M482 VanDerWaalsContact C-N 3.34Å; E480-M482 PolarHBondContact O-N 3.01Å; M482-I486 VanDerWaalsContact O-CG1 3.3Å; M482-I486 WeakPolarHBondContact O-CG1 3.4Å; M482-I486 PolarHBondContact O-N 3.47Å; M482-W518 HydrophobicContact CB-CD2 4.44Å; M482-W518 HydrophobicContact CB-CH2 3.94Å; M482-W518 HydrophobicContact CB-CZ2 3.59Å; M482-W518 HydrophobicContact CB-CZ3 4.49Å; M482-W518 HydrophobicContact CG-CD2 3.71Å; M482-W518 VanDerWaalsContact CG-CE2 3.49Å; M482-W518 HydrophobicContact CG-CE3 4.16Å; M482-W518 HydrophobicContact CG-CG 4.1Å; M482-W518 HydrophobicContact CG-CH2 4.2Å; M482-W518 HydrophobicContact CG-CZ2 3.8Å; M482-W518 HydrophobicContact CG-CZ3 4.35Å; M482-W518 HydrophobicContact SD-CD2 3.83Å; M482-W518 HydrophobicContact SD-CE3 3.74Å; M482-W518 HydrophobicContact SD-CG 4.31Å; M482-W518 HydrophobicContact SD-CH2 4.37Å; M482-W518 HydrophobicContact SD-CZ2 4.49Å; M482-W518 HydrophobicContact SD-CZ3 3.98Å
483	F	92.6	Very high	92.4	Very high	34 Å²	34	56 Å²	56	15%	0.149	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-43.4	173.7	-86.8	-82.2	0	0	0	112.7	L445 L449 V457 E460 L464 M479 E480 T481 I486 E487	L445-F483 HydrophobicContact CD1-CE2 3.99Å; L445-F483 HydrophobicContact CD1-CZ 4.1Å; L445-F483 HydrophobicContact CD2-CE2 4.13Å; L449-F483 HydrophobicContact CD1-CD2 4.39Å; L449-F483 HydrophobicContact CD1-CE2 4.25Å; L449-F483 HydrophobicContact CD1-CZ 4.41Å; L449-F483 HydrophobicContact CD2-CD1 4.27Å; L449-F483 HydrophobicContact CD2-CE1 3.74Å; L449-F483 HydrophobicContact CD2-CE2 4.46Å; L449-F483 HydrophobicContact CD2-CZ 3.81Å; V457-F483 HydrophobicContact CG1-CE1 4.42Å; E460-F483 HydrophobicContact CB-CE1 4.2Å; E460-F483 HydrophobicContact CB-CE2 4.43Å; E460-F483 HydrophobicContact CB-CZ 3.51Å; E460-F483 HydrophobicContact CG-CZ 4.26Å; L464-F483 HydrophobicContact CD1-CD2 3.38Å; L464-F483 HydrophobicContact CD1-CE2 3.28Å; L464-F483 HydrophobicContact CD1-CZ 4.36Å; L464-F483 HydrophobicContact CG-CE2 4.24Å; M479-F483 WeakPolarHBondContact O-CD2 3.48Å; M479-F483 PolarHBondContact O-N 3.21Å; E480-F483 PolarHBondContact O-N 3.04Å; T481-F483 VanDerWaalsContact C-N 3.28Å; T481-F483 PolarHBondContact O-N 3.29Å; F483-I486 PolarHBondContact O-N 3.33Å; F483-E487 PolarHBondContact O-N 2.95Å
484	Q	93.1	Very high	92.4	Very high	116 Å²	116	58.5 Å²	58.5	54%	0.542	27%	0.272	S	S	.	.	H	α-helix	trans	-62.7	-44.9	177.9	-67.4	169.7	12.1	0	0	111.2	E480 T481 I486 E487 L488	E480-Q484 WeakPolarHBondContact O-CG 3.5Å; E480-Q484 PolarHBondContact O-N 3.04Å; E480-Q484 VanDerWaalsContact O-N 3.13Å; T481-Q484 PolarHBondContact O-N 3.43Å; T481-Q484 VanDerWaalsContact O-N 3.12Å; Q484-I486 VanDerWaalsContact C-N 3.32Å; Q484-I486 PolarHBondContact O-N 2.67Å; Q484-E487 PolarHBondContact O-N 2.67Å; Q484-L488 WeakPolarHBondContact O-CB 3.12Å; Q484-L488 VanDerWaalsContact O-CG 3.28Å; Q484-L488 WeakPolarHBondContact O-CG 3.31Å; Q484-L488 PolarHBondContact O-N 2.72Å
485	D	94.1	Very high	92.5	Very high	21 Å²	21	56.2 Å²	56.2	11%	0.112	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-43	178.3	-75.3	-5.7	0	0	0	111.5	T481 S489 I513 C514 W518	T481-D485 PolarHBondContact O-N 3.36Å; D485-S489 WeakPolarHBondContact O-CB 3.27Å; D485-S489 PolarHBondContact O-N 3.25Å; D485-S489 PolarHBondContact O-OG 2.71Å; D485-I513 HydrophobicContact CB-CG2 4.27Å; D485-C514 PolarHBondContact OD2-N 2.69Å; D485-C514 VanDerWaalsContact OD2-N 3.15Å; D485-W518 HydrophobicContact CB-CZ2 4.06Å; D485-W518 PolarHBondContact OD2-NE1 3Å
486	I	91.9	Very high	92.6	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.077	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-41.5	177.7	-67.2	-68.8	0	0	0	111.8	L449 L450 M482 F483 Q484 S489 K490 N511 W518	L449-I486 HydrophobicContact CB-CD1 4.32Å; L449-I486 HydrophobicContact CB-CG1 4.08Å; L449-I486 HydrophobicContact CD1-CG1 4.44Å; L450-I486 HydrophobicContact CD2-CD1 4.27Å; M482-I486 VanDerWaalsContact O-CG1 3.3Å; M482-I486 WeakPolarHBondContact O-CG1 3.4Å; M482-I486 PolarHBondContact O-N 3.47Å; F483-I486 PolarHBondContact O-N 3.33Å; Q484-I486 VanDerWaalsContact C-N 3.32Å; Q484-I486 PolarHBondContact O-N 2.67Å; I486-S489 WeakPolarHBondContact O-CB 3.39Å; I486-S489 PolarHBondContact O-N 3.42Å; I486-K490 WeakPolarHBondContact O-CG 3.44Å; I486-K490 PolarHBondContact O-N 3.04Å; I486-N511 HydrophobicContact CD1-CB 4.45Å; I486-W518 HydrophobicContact CD1-CH2 3.9Å; I486-W518 HydrophobicContact CD1-CZ2 4.34Å; I486-W518 HydrophobicContact CG1-CH2 3.9Å; I486-W518 HydrophobicContact CG1-CZ2 4.14Å
487	E	91.4	Very high	92.2	Very high	90 Å²	90	60.2 Å²	60.2	42%	0.421	28%	0.275	S	S	.	.	H	α-helix	trans	-67.7	-44.3	179.6	-172.4	53.6	-146.1	0	0	111.8	F483 Q484 S489 K490 Q491	F483-E487 PolarHBondContact O-N 2.95Å; Q484-E487 PolarHBondContact O-N 2.67Å; E487-S489 VanDerWaalsContact C-N 3.27Å; E487-S489 PolarHBondContact O-N 3.19Å; E487-K490 PolarHBondContact O-N 3.42Å; E487-K490 IonicContact OE2-NZ 2.77Å; E487-Q491 PolarHBondContact O-N 3.45Å
488	L	93.3	Very high	92	Very high	107 Å²	107	59.3 Å²	59.3	56%	0.56	28%	0.281	S	S	*	.	H	α-helix	trans	-60.5	-39.1	173.2	-69.3	172.3	0	0	0	111.4	Q484 K490 Q491 L492	Q484-L488 WeakPolarHBondContact O-CB 3.12Å; Q484-L488 VanDerWaalsContact O-CG 3.28Å; Q484-L488 WeakPolarHBondContact O-CG 3.31Å; Q484-L488 PolarHBondContact O-N 2.72Å; L488-K490 PolarHBondContact O-N 2.8Å; L488-Q491 PolarHBondContact O-N 3.17Å; L488-L492 WeakPolarHBondContact O-CB 3.42Å; L488-L492 PolarHBondContact O-N 2.9Å
489	S	93.8	Very high	91.7	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.014	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-37.2	177.2	-67.6	0	0	0	0	113.5	D485 I486 E487 L492 S493 N511 V512	D485-S489 WeakPolarHBondContact O-CB 3.27Å; D485-S489 PolarHBondContact O-N 3.25Å; D485-S489 PolarHBondContact O-OG 2.71Å; I486-S489 WeakPolarHBondContact O-CB 3.39Å; I486-S489 PolarHBondContact O-N 3.42Å; E487-S489 VanDerWaalsContact C-N 3.27Å; E487-S489 PolarHBondContact O-N 3.19Å; S489-L492 PolarHBondContact O-N 3.15Å; S489-S493 WeakPolarHBondContact O-CB 3.41Å; S489-S493 PolarHBondContact O-N 3.45Å; S489-S493 PolarHBondContact O-OG 3.18Å; S489-N511 WeakPolarHBondContact OG-CA 3.42Å; S489-V512 PolarHBondContact OG-N 2.98Å; S489-V512 PolarHBondContact OG-O 2.7Å
490	K	90.7	Very high	91.2	Very high	102 Å²	102	60.1 Å²	60.1	44%	0.443	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-44	174.7	-72.8	173.2	-173.8	169.9	0	111.4	I486 E487 L488 S493 K494	I486-K490 WeakPolarHBondContact O-CG 3.44Å; I486-K490 PolarHBondContact O-N 3.04Å; E487-K490 PolarHBondContact O-N 3.42Å; E487-K490 IonicContact OE2-NZ 2.77Å; L488-K490 PolarHBondContact O-N 2.8Å; K490-S493 PolarHBondContact O-N 3.32Å; K490-K494 WeakPolarHBondContact O-CB 3.13Å; K490-K494 PolarHBondContact O-N 2.9Å
491	Q	91.7	Very high	90.3	Very high	99 Å²	99	61.3 Å²	61.3	46%	0.463	31%	0.307	S	S	.	.	H	α-helix	trans	-65.2	-44.5	177.3	-64.9	176.5	16.1	0	0	111	E487 L488 S493 K494 N495	E487-Q491 PolarHBondContact O-N 3.45Å; L488-Q491 PolarHBondContact O-N 3.17Å; Q491-S493 PolarHBondContact O-N 3.36Å; Q491-K494 WeakPolarHBondContact O-CB 3.32Å; Q491-K494 PolarHBondContact O-N 2.88Å; Q491-N495 VanDerWaalsContact O-CG 3.26Å; Q491-N495 PolarHBondContact O-N 3.41Å; Q491-N495 PolarHBondContact O-OD1 3.11Å
492	L	92.7	Very high	89.1	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.141	34%	0.343	C	S	.	.	H	α-helix	trans	-59.8	-45.9	176.3	-176.1	69.1	0	0	0	112	L488 S489 K494 N495 F496 V512 F539 F542 Y543	L488-L492 WeakPolarHBondContact O-CB 3.42Å; L488-L492 PolarHBondContact O-N 2.9Å; S489-L492 PolarHBondContact O-N 3.15Å; L492-K494 VanDerWaalsContact C-N 3.32Å; L492-K494 PolarHBondContact O-N 3.33Å; L492-N495 PolarHBondContact O-N 3.01Å; L492-F496 WeakPolarHBondContact O-CB 3.45Å; L492-F496 PolarHBondContact O-N 2.9Å; L492-V512 HydrophobicContact CD2-CB 4.21Å; L492-V512 HydrophobicContact CD2-CG2 3.54Å; L492-F539 HydrophobicContact CD2-CE2 4.38Å; L492-F539 HydrophobicContact CD2-CZ 3.71Å; L492-F539 HydrophobicContact CG-CE2 4.37Å; L492-F539 HydrophobicContact CG-CZ 4.18Å; L492-F542 HydrophobicContact CD1-CE1 3.63Å; L492-F542 HydrophobicContact CD1-CZ 4.34Å; L492-F542 HydrophobicContact CG-CE1 4.3Å; L492-Y543 HydrophobicContact CD1-CD2 4.2Å; L492-Y543 HydrophobicContact CD2-CD2 3.69Å; L492-Y543 HydrophobicContact CD2-CE2 3.81Å
493	S	91.2	Very high	88.2	Confident	3 Å²	3	74 Å²	74	2%	0.021	38%	0.378	C	S	.	.	H	α-helix	trans	-65	-35.2	177.7	-64.8	0	0	0	0	112.1	S489 K490 Q491 R497 S509 V510	S489-S493 WeakPolarHBondContact O-CB 3.41Å; S489-S493 PolarHBondContact O-N 3.45Å; S489-S493 PolarHBondContact O-OG 3.18Å; K490-S493 PolarHBondContact O-N 3.32Å; Q491-S493 PolarHBondContact O-N 3.36Å; S493-R497 WeakPolarHBondContact O-CB 3.01Å; S493-R497 PolarHBondContact O-N 3.06Å; S493-R497 VanDerWaalsContact O-N 3.08Å; S493-S509 PolarHBondContact OG-OG 3.16Å; S493-V510 PolarHBondContact OG-N 3.25Å; S493-V510 PolarHBondContact OG-O 2.73Å; S493-V510 VanDerWaalsContact OG-O 3.11Å
494	K	89.8	Confident	87.6	Confident	131 Å²	131	76 Å²	76	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-64.2	-47.4	172.9	-175.1	-178	177.4	-176.2	0	111.3	K490 Q491 L492 R497 L498	K490-K494 WeakPolarHBondContact O-CB 3.13Å; K490-K494 PolarHBondContact O-N 2.9Å; Q491-K494 WeakPolarHBondContact O-CB 3.32Å; Q491-K494 PolarHBondContact O-N 2.88Å; L492-K494 VanDerWaalsContact C-N 3.32Å; L492-K494 PolarHBondContact O-N 3.33Å; K494-R497 PolarHBondContact O-N 3.4Å; K494-L498 WeakPolarHBondContact O-CG 3.5Å; K494-L498 PolarHBondContact O-N 3.45Å; K494-L498 VanDerWaalsContact O-N 3.16Å
495	N	91	Very high	87.1	Confident	87 Å²	87	75 Å²	75	47%	0.465	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-41.2	179.9	-66.2	-11.2	0	0	0	111.7	Q491 L492 R497 L498 S499 F542	Q491-N495 VanDerWaalsContact O-CG 3.26Å; Q491-N495 PolarHBondContact O-N 3.41Å; Q491-N495 PolarHBondContact O-OD1 3.11Å; L492-N495 PolarHBondContact O-N 3.01Å; N495-R497 PolarHBondContact O-N 2.91Å; N495-L498 PolarHBondContact O-N 2.92Å; N495-S499 PolarHBondContact O-N 3.39Å; N495-S499 VanDerWaalsContact O-N 3.13Å; N495-F542 HydrophobicContact CB-CZ 4.01Å
496	F	91.4	Very high	86.8	Confident	4 Å²	4	77.1 Å²	77.1	2%	0.018	41%	0.407	C	S	.	.	H	α-helix	trans	-59.2	-46.7	174.6	178.7	-115.6	0	0	0	111.7	L492 L498 S499 L500 L508 E538 F539 F542	L492-F496 WeakPolarHBondContact O-CB 3.45Å; L492-F496 PolarHBondContact O-N 2.9Å; F496-L498 VanDerWaalsContact C-N 3.26Å; F496-L498 PolarHBondContact O-N 3.08Å; F496-S499 PolarHBondContact O-N 3.48Å; F496-S499 PolarHBondContact O-OG 3.21Å; F496-L500 HydrophobicContact CD1-CD1 4.31Å; F496-L500 HydrophobicContact CD2-CD1 4.08Å; F496-L500 HydrophobicContact CE1-CD1 3.64Å; F496-L500 HydrophobicContact CE1-CD2 4.48Å; F496-L500 HydrophobicContact CE2-CD1 3.38Å; F496-L500 HydrophobicContact CZ-CD1 3.15Å; F496-L500 HydrophobicContact CZ-CG 4.48Å; F496-L500 PolarHBondContact O-N 3.3Å; F496-L500 VanDerWaalsContact O-N 3.08Å; F496-L508 HydrophobicContact CE1-CB 4.43Å; F496-L508 HydrophobicContact CE1-CD2 3.94Å; F496-E538 HydrophobicContact CE2-CB 4.44Å; F496-E538 HydrophobicContact CE2-CG 4.13Å; F496-E538 HydrophobicContact CZ-CB 4.29Å; F496-E538 HydrophobicContact CZ-CG 4.3Å; F496-F539 HydrophobicContact CB-CD2 4.24Å; F496-F539 HydrophobicContact CB-CE2 4.29Å; F496-F539 AromaticContact CD1-CD2 3.74Å; F496-F539 HydrophobicContact CD1-CD2 3.74Å; F496-F539 HydrophobicContact CD1-CE2 4.45Å; F496-F539 AromaticContact CD2-CD2 3.91Å; F496-F539 HydrophobicContact CD2-CD2 3.91Å; F496-F539 HydrophobicContact CE1-CB 4.18Å; F496-F539 AromaticContact CE1-CD2 3.97Å; F496-F539 HydrophobicContact CE1-CD2 3.97Å; F496-F539 VanDerWaalsContact CE2-CA 3.42Å; F496-F539 HydrophobicContact CE2-CB 3.96Å; F496-F539 HydrophobicContact CE2-CD2 4.12Å; F496-F539 AromaticContact CG-CD2 3.68Å; F496-F539 HydrophobicContact CG-CD2 3.68Å; F496-F539 HydrophobicContact CG-CE2 4.23Å; F496-F539 HydrophobicContact CZ-CB 3.71Å; F496-F539 HydrophobicContact CZ-CD2 4.12Å; F496-F539 HydrophobicContact CZ-CG 4.44Å; F496-F542 HydrophobicContact CB-CD1 3.93Å; F496-F542 HydrophobicContact CB-CE1 3.7Å; F496-F542 HydrophobicContact CB-CZ 4.16Å; F496-F542 HydrophobicContact CD2-CB 3.76Å; F496-F542 AromaticContact CD2-CD1 3.58Å; F496-F542 HydrophobicContact CD2-CD1 3.58Å; F496-F542 HydrophobicContact CD2-CD2 4.22Å; F496-F542 HydrophobicContact CD2-CE1 4.22Å; F496-F542 AromaticContact CD2-CG 3.58Å; F496-F542 HydrophobicContact CD2-CG 3.58Å; F496-F542 HydrophobicContact CE2-CB 3.97Å; F496-F542 HydrophobicContact CE2-CG 4.3Å; F496-F542 HydrophobicContact CG-CD1 4.16Å; F496-F542 HydrophobicContact CG-CE1 4.42Å
497	R	86.6	Confident	86.7	Confident	104 Å²	104	83.5 Å²	83.5	39%	0.392	44%	0.436	S	S	.	.	H	α-helix	trans	-59.5	-36.7	178.4	-166.3	-172	-70	96.4	-8.4	112.4	S493 K494 N495 S499 L500 E507	S493-R497 WeakPolarHBondContact O-CB 3.01Å; S493-R497 PolarHBondContact O-N 3.06Å; S493-R497 VanDerWaalsContact O-N 3.08Å; K494-R497 PolarHBondContact O-N 3.4Å; N495-R497 PolarHBondContact O-N 2.91Å; R497-S499 VanDerWaalsContact C-N 3.31Å; R497-L500 PolarHBondContact O-N 3.21Å; R497-E507 IonicContact CZ-OE1 2.63Å; R497-E507 IonicContact NE-OE1 3.44Å; R497-E507 PolarHBondContact NE-OE1 2.88Å; R497-E507 IonicContact NH2-OE1 3.39Å; R497-E507 PolarHBondContact NH2-OE1 3.36Å
498	L	87	Confident	86.6	Confident	137 Å²	137	81.2 Å²	81.2	72%	0.717	43%	0.427	S	S	*	.	H	α-helix	trans	-72.2	-24.4	176.3	-67	172	0	0	0	113.3	K494 N495 F496	K494-L498 WeakPolarHBondContact O-CG 3.5Å; K494-L498 PolarHBondContact O-N 3.45Å; K494-L498 VanDerWaalsContact O-N 3.16Å; N495-L498 PolarHBondContact O-N 2.92Å; F496-L498 VanDerWaalsContact C-N 3.26Å; F496-L498 PolarHBondContact O-N 3.08Å
499	S	85.9	Confident	86.5	Confident	65 Å²	65	79.7 Å²	79.7	46%	0.455	43%	0.425	S	S	.	.	H	α-helix	trans	-85.9	-16.3	176.6	69.9	0	0	0	0	113.7	N495 F496 R497	N495-S499 PolarHBondContact O-N 3.39Å; N495-S499 VanDerWaalsContact O-N 3.13Å; F496-S499 PolarHBondContact O-N 3.48Å; F496-S499 PolarHBondContact O-OG 3.21Å; R497-S499 VanDerWaalsContact C-N 3.31Å
500	L	83	Confident	86.4	Confident	33 Å²	33	80.5 Å²	80.5	17%	0.173	43%	0.43	C	S	.	.	S	Bend	trans	-80.3	135.5	-176.5	-132.9	80.2	0	0	0	110.8	F496 R497 Y504 L535 E538	F496-L500 HydrophobicContact CD1-CD1 4.31Å; F496-L500 HydrophobicContact CD2-CD1 4.08Å; F496-L500 HydrophobicContact CE1-CD1 3.64Å; F496-L500 HydrophobicContact CE1-CD2 4.48Å; F496-L500 HydrophobicContact CE2-CD1 3.38Å; F496-L500 HydrophobicContact CZ-CD1 3.15Å; F496-L500 HydrophobicContact CZ-CG 4.48Å; F496-L500 PolarHBondContact O-N 3.3Å; F496-L500 VanDerWaalsContact O-N 3.08Å; R497-L500 PolarHBondContact O-N 3.21Å; L500-Y504 HydrophobicContact CD2-CD2 3.59Å; L500-Y504 HydrophobicContact CD2-CE2 4.28Å; L500-Y504 HydrophobicContact CD2-CG 4.28Å; L500-Y504 HydrophobicContact CG-CD2 4.14Å; L500-Y504 HydrophobicContact CG-CE2 4.46Å; L500-L535 HydrophobicContact CD2-CD2 3.79Å; L500-E538 HydrophobicContact CD1-CG 3.9Å
501	P	74.9	Confident	86.4	Confident	81 Å²	81	78.5 Å²	78.5	53%	0.526	42%	0.424	S	S	.	.			trans	-61.3	148.1	164.7	-19.8	32.2	0	0	0	111.1	T503	P501-T503 WeakPolarHBondContact CB-OG1 3.28Å; P501-T503 PolarHBondContact O-N 3.06Å
502	D	71.4	Confident	86.5	Confident	178 Å²	178	75 Å²	75	95%	0.952	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	23.3	176.6	-75.9	-32.4	0	0	0	114.2
503	T	74	Confident	86.4	Confident	117 Å²	117	75.7 Å²	75.7	72%	0.718	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-24.8	-171.6	-38.6	0	0	0	0	113.4	P501	P501-T503 WeakPolarHBondContact CB-OG1 3.28Å; P501-T503 PolarHBondContact O-N 3.06Å
504	Y	79.7	Confident	86.3	Confident	78 Å²	78	78.7 Å²	78.7	31%	0.306	43%	0.433	S	S	.	.			trans	-92.6	134.5	-176.2	-64.7	-82.9	0	0	0	111.9	L500 I506 E531 A534 L535	L500-Y504 HydrophobicContact CD2-CD2 3.59Å; L500-Y504 HydrophobicContact CD2-CE2 4.28Å; L500-Y504 HydrophobicContact CD2-CG 4.28Å; L500-Y504 HydrophobicContact CG-CD2 4.14Å; L500-Y504 HydrophobicContact CG-CE2 4.46Å; Y504-I506 VanDerWaalsContact C-N 3.34Å; Y504-E531 HydrophobicContact CD1-CG 4.45Å; Y504-A534 HydrophobicContact CE1-CB 4.35Å; Y504-L535 HydrophobicContact CD1-CD1 4.2Å; Y504-L535 HydrophobicContact CD1-CD2 3.74Å; Y504-L535 HydrophobicContact CD1-CG 3.74Å; Y504-L535 HydrophobicContact CD2-CD2 3.89Å; Y504-L535 HydrophobicContact CE1-CD2 4.17Å; Y504-L535 HydrophobicContact CE1-CG 4.09Å; Y504-L535 HydrophobicContact CE2-CD2 4.29Å; Y504-L535 HydrophobicContact CG-CD1 4.49Å; Y504-L535 HydrophobicContact CG-CD2 3.58Å; Y504-L535 HydrophobicContact CG-CG 4.1Å
505	A	82.6	Confident	86.1	Confident	95 Å²	95	77.7 Å²	77.7	79%	0.785	44%	0.44	S	S	*	.	S	Bend	trans	-81.1	-17.2	179.1	0	0	0	0	0	113.1	E531	A505-E531 PolarHBondContact N-OE1 3.35Å
506	I	88.8	Confident	85.9	Confident	64 Å²	64	77.5 Å²	77.5	33%	0.328	45%	0.451	S	S	.	.	S	Bend	trans	-92.6	123.5	-177.4	-57.7	173.3	0	0	0	110.2	Y504 L508 E531 M532 L535	Y504-I506 VanDerWaalsContact C-N 3.34Å; I506-L508 PolarHBondContact O-N 3.02Å; I506-E531 HydrophobicContact CD1-CB 4.35Å; I506-E531 HydrophobicContact CD1-CG 3.85Å; I506-E531 HydrophobicContact CG1-CG 4.49Å; I506-M532 HydrophobicContact CD1-CG 3.84Å; I506-L535 HydrophobicContact CB-CD1 3.61Å; I506-L535 HydrophobicContact CD1-CD1 4.13Å; I506-L535 HydrophobicContact CG1-CD1 4.35Å; I506-L535 HydrophobicContact CG2-CD1 4Å
507	E	88.9	Confident	85.8	Confident	149 Å²	149	78.1 Å²	78.1	70%	0.696	46%	0.455	S	S	*	.			trans	-80.7	105.6	169.7	-171.8	-176.4	171.3	0	0	110.3	R497	R497-E507 IonicContact CZ-OE1 2.63Å; R497-E507 IonicContact NE-OE1 3.44Å; R497-E507 PolarHBondContact NE-OE1 2.88Å; R497-E507 IonicContact NH2-OE1 3.39Å; R497-E507 PolarHBondContact NH2-OE1 3.36Å
508	L	90.6	Very high	86	Confident	43 Å²	43	73.8 Å²	73.8	23%	0.225	44%	0.439	C	S	.	.			trans	-92.1	130.9	178.7	-176.3	66.1	0	0	0	111.7	F496 I506 V510 L535 F539	F496-L508 HydrophobicContact CE1-CB 4.43Å; F496-L508 HydrophobicContact CE1-CD2 3.94Å; I506-L508 PolarHBondContact O-N 3.02Å; L508-V510 HydrophobicContact CD1-CG2 4.07Å; L508-V510 HydrophobicContact CD2-CG2 3.84Å; L508-V510 HydrophobicContact CG-CG2 3.78Å; L508-L535 HydrophobicContact CD2-CB 4.27Å; L508-F539 HydrophobicContact CD2-CB 4.14Å
509	S	90.2	Very high	86	Confident	74 Å²	74	68.1 Å²	68.1	52%	0.517	41%	0.41	S	S	.	.			trans	-128	131.4	166.6	-170.9	0	0	0	0	108.4	S493	S493-S509 PolarHBondContact OG-OG 3.16Å
510	V	91.8	Very high	85.9	Confident	19 Å²	19	68.9 Å²	68.9	12%	0.115	41%	0.414	C	S	.	.			trans	-121	127.8	-175.2	-173.8	0	0	0	0	110	S493 L508 V512 F539	S493-V510 PolarHBondContact OG-N 3.25Å; S493-V510 PolarHBondContact OG-O 2.73Å; S493-V510 VanDerWaalsContact OG-O 3.11Å; L508-V510 HydrophobicContact CD1-CG2 4.07Å; L508-V510 HydrophobicContact CD2-CG2 3.84Å; L508-V510 HydrophobicContact CG-CG2 3.78Å; V510-V512 HydrophobicContact CG1-CG2 4.06Å; V510-F539 HydrophobicContact CB-CD1 4.35Å; V510-F539 HydrophobicContact CB-CD2 4.25Å; V510-F539 HydrophobicContact CB-CE1 3.83Å; V510-F539 HydrophobicContact CB-CE2 3.72Å; V510-F539 HydrophobicContact CB-CZ 3.48Å; V510-F539 VanDerWaalsContact CB-CZ 3.48Å; V510-F539 HydrophobicContact CG1-CD1 4.23Å; V510-F539 HydrophobicContact CG1-CE1 3.63Å; V510-F539 HydrophobicContact CG1-CE2 4.44Å; V510-F539 HydrophobicContact CG1-CZ 3.74Å; V510-F539 HydrophobicContact CG2-CD1 4.01Å; V510-F539 HydrophobicContact CG2-CD2 3.71Å; V510-F539 HydrophobicContact CG2-CE1 4.01Å; V510-F539 HydrophobicContact CG2-CE2 3.71Å; V510-F539 HydrophobicContact CG2-CG 3.85Å; V510-F539 HydrophobicContact CG2-CZ 3.85Å
511	N	91.7	Very high	85.8	Confident	60 Å²	60	70.2 Å²	70.2	32%	0.321	42%	0.417	S	S	.	.			trans	-91.3	107.6	169.3	-67	-36.3	0	0	0	109	L450 I486 S489	L450-N511 HydrophobicContact CD2-CB 4.04Å; I486-N511 HydrophobicContact CD1-CB 4.45Å; S489-N511 WeakPolarHBondContact OG-CA 3.42Å
512	V	93.2	Very high	85.9	Confident	26 Å²	26	71.1 Å²	71.1	16%	0.158	42%	0.423	C	S	.	.			trans	-93.9	112.4	175.8	-177.6	0	0	0	0	108.4	S489 L492 V510 F539 Y543 L552	S489-V512 PolarHBondContact OG-N 2.98Å; S489-V512 PolarHBondContact OG-O 2.7Å; L492-V512 HydrophobicContact CD2-CB 4.21Å; L492-V512 HydrophobicContact CD2-CG2 3.54Å; V510-V512 HydrophobicContact CG1-CG2 4.06Å; V512-F539 HydrophobicContact CG2-CE1 3.98Å; V512-F539 HydrophobicContact CG2-CZ 3.89Å; V512-Y543 HydrophobicContact CB-CE2 4.43Å; V512-Y543 HydrophobicContact CG1-CE2 3.88Å; V512-Y543 HydrophobicContact CG2-CD2 4.42Å; V512-Y543 HydrophobicContact CG2-CE2 4.17Å; V512-L552 HydrophobicContact CG1-CD2 4.23Å
513	I	91.5	Very high	86.3	Confident	42 Å²	42	70.5 Å²	70.5	22%	0.215	41%	0.414	C	S	.	.			trans	-119.5	149.7	-173.9	61.6	172.3	0	0	0	111.3	L450 D485 P515 W518	L450-I513 HydrophobicContact CD2-CG2 4.29Å; D485-I513 HydrophobicContact CB-CG2 4.27Å; I513-P515 WeakPolarHBondContact O-CD 3.44Å; I513-W518 HydrophobicContact CB-CD2 4.1Å; I513-W518 HydrophobicContact CB-CG 4.22Å; I513-W518 HydrophobicContact CB-CZ2 4.2Å; I513-W518 HydrophobicContact CD1-CB 4.34Å; I513-W518 HydrophobicContact CD1-CD2 3.85Å; I513-W518 HydrophobicContact CD1-CE3 4.12Å; I513-W518 HydrophobicContact CD1-CG 3.95Å; I513-W518 HydrophobicContact CG2-CD2 4.1Å; I513-W518 VanDerWaalsContact CG2-CE2 3.47Å; I513-W518 HydrophobicContact CG2-CH2 4.09Å; I513-W518 HydrophobicContact CG2-CZ2 3.45Å; I513-W518 VanDerWaalsContact CG2-CZ2 3.45Å
514	C	87.7	Confident	86.8	Confident	65 Å²	65	66.2 Å²	66.2	44%	0.439	39%	0.388	S	S	.	.			trans	-90.8	113.2	173	-176.9	0	0	0	0	110.4	D485 A516 S517	D485-C514 PolarHBondContact OD2-N 2.69Å; D485-C514 VanDerWaalsContact OD2-N 3.15Å; C514-A516 PolarHBondContact O-N 3.15Å; C514-S517 PolarHBondContact O-N 2.86Å; C514-S517 VanDerWaalsContact O-N 3.11Å
515	P	86.4	Confident	87.2	Confident	110 Å²	110	67.8 Å²	67.8	71%	0.714	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-54.8	-26.3	-172.2	-27.9	35	0	0	0	115.4	I513 S517 W518	I513-P515 WeakPolarHBondContact O-CD 3.44Å; P515-S517 VanDerWaalsContact C-N 3.27Å; P515-S517 PolarHBondContact O-N 3.36Å; P515-W518 PolarHBondContact O-N 3.18Å; P515-W518 VanDerWaalsContact O-O 3.13Å
516	A	87.4	Confident	87.7	Confident	84 Å²	84	64 Å²	64	69%	0.694	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-65.9	-23.9	-178.3	0	0	0	0	0	114.7	C514	C514-A516 PolarHBondContact O-N 3.15Å
517	S	89	Confident	88	Confident	16 Å²	16	65.1 Å²	65.1	11%	0.112	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-101.8	-5.1	179.6	-65.6	0	0	0	0	113.4	T481 C514 P515	T481-S517 WeakPolarHBondContact CG2-OG 3.39Å; C514-S517 PolarHBondContact O-N 2.86Å; C514-S517 VanDerWaalsContact O-N 3.11Å; P515-S517 VanDerWaalsContact C-N 3.27Å; P515-S517 PolarHBondContact O-N 3.36Å
518	W	91.4	Very high	88.2	Confident	14 Å²	14	59.9 Å²	59.9	5%	0.053	36%	0.355	C	S	.	.	S	Bend	trans	-111.8	155.4	-175.2	-69.9	72.4	0	0	0	110.6	A446 L449 L450 M482 D485 I486 I513 P515 Y521	A446-W518 HydrophobicContact CB-CE3 3.75Å; A446-W518 HydrophobicContact CB-CZ3 3.82Å; L449-W518 HydrophobicContact CB-CH2 4.22Å; L449-W518 HydrophobicContact CD1-CH2 4.33Å; L450-W518 HydrophobicContact CD1-CE3 3.94Å; L450-W518 HydrophobicContact CD1-CZ3 3.64Å; L450-W518 HydrophobicContact CD2-CH2 4.04Å; L450-W518 HydrophobicContact CD2-CZ3 3.91Å; L450-W518 HydrophobicContact CG-CE3 4.26Å; L450-W518 HydrophobicContact CG-CH2 4Å; L450-W518 HydrophobicContact CG-CZ3 3.48Å; L450-W518 VanDerWaalsContact CG-CZ3 3.48Å; M482-W518 HydrophobicContact CB-CD2 4.44Å; M482-W518 HydrophobicContact CB-CH2 3.94Å; M482-W518 HydrophobicContact CB-CZ2 3.59Å; M482-W518 HydrophobicContact CB-CZ3 4.49Å; M482-W518 HydrophobicContact CG-CD2 3.71Å; M482-W518 VanDerWaalsContact CG-CE2 3.49Å; M482-W518 HydrophobicContact CG-CE3 4.16Å; M482-W518 HydrophobicContact CG-CG 4.1Å; M482-W518 HydrophobicContact CG-CH2 4.2Å; M482-W518 HydrophobicContact CG-CZ2 3.8Å; M482-W518 HydrophobicContact CG-CZ3 4.35Å; M482-W518 HydrophobicContact SD-CD2 3.83Å; M482-W518 HydrophobicContact SD-CE3 3.74Å; M482-W518 HydrophobicContact SD-CG 4.31Å; M482-W518 HydrophobicContact SD-CH2 4.37Å; M482-W518 HydrophobicContact SD-CZ2 4.49Å; M482-W518 HydrophobicContact SD-CZ3 3.98Å; D485-W518 HydrophobicContact CB-CZ2 4.06Å; D485-W518 PolarHBondContact OD2-NE1 3Å; I486-W518 HydrophobicContact CD1-CH2 3.9Å; I486-W518 HydrophobicContact CD1-CZ2 4.34Å; I486-W518 HydrophobicContact CG1-CH2 3.9Å; I486-W518 HydrophobicContact CG1-CZ2 4.14Å; I513-W518 HydrophobicContact CB-CD2 4.1Å; I513-W518 HydrophobicContact CB-CG 4.22Å; I513-W518 HydrophobicContact CB-CZ2 4.2Å; I513-W518 HydrophobicContact CD1-CB 4.34Å; I513-W518 HydrophobicContact CD1-CD2 3.85Å; I513-W518 HydrophobicContact CD1-CE3 4.12Å; I513-W518 HydrophobicContact CD1-CG 3.95Å; I513-W518 HydrophobicContact CG2-CD2 4.1Å; I513-W518 VanDerWaalsContact CG2-CE2 3.47Å; I513-W518 HydrophobicContact CG2-CH2 4.09Å; I513-W518 HydrophobicContact CG2-CZ2 3.45Å; I513-W518 VanDerWaalsContact CG2-CZ2 3.45Å; P515-W518 PolarHBondContact O-N 3.18Å; P515-W518 VanDerWaalsContact O-O 3.13Å; W518-Y521 HydrophobicContact CB-CE2 4.48Å
519	P	86.9	Confident	88.3	Confident	17 Å²	17	59.8 Å²	59.8	11%	0.11	36%	0.357	C	S	.	.			trans	-57.6	148.9	171.8	-20.1	30.4	0	0	0	111.2	T442 K443 A446 Y521	T442-P519 HydrophobicContact CG2-CG 4.45Å; K443-P519 HydrophobicContact CB-CG 4.35Å; A446-P519 HydrophobicContact CB-CG 3.66Å; P519-Y521 WeakPolarHBondContact O-CD2 3.26Å; P519-Y521 WeakPolarHBondContact O-CE2 3.3Å
520	P	82.4	Confident	88.3	Confident	82 Å²	82	61.7 Å²	61.7	53%	0.532	37%	0.368	S	S	.	.			trans	-68.9	138.9	172.9	29.6	-34.1	0	0	0	110.1	R678	P520-R678 VanDerWaalsContact CG-NH2 3.31Å
521	Y	80.8	Confident	88.3	Confident	60 Å²	60	64.8 Å²	64.8	24%	0.235	38%	0.381	C	S	.	.			trans	-116.4	137.7	175.5	-58.5	-77.7	0	0	0	109.3	A446 W518 P519 Q523 L558	A446-Y521 WeakPolarHBondContact CB-OH 3.36Å; W518-Y521 HydrophobicContact CB-CE2 4.48Å; P519-Y521 WeakPolarHBondContact O-CD2 3.26Å; P519-Y521 WeakPolarHBondContact O-CE2 3.3Å; Y521-Q523 PolarHBondContact O-N 3.07Å; Y521-L558 HydrophobicContact CD1-CD1 4.06Å; Y521-L558 HydrophobicContact CD1-CD2 3.6Å; Y521-L558 HydrophobicContact CD1-CG 4.2Å; Y521-L558 HydrophobicContact CD2-CD1 3.66Å; Y521-L558 HydrophobicContact CE1-CD1 4.19Å; Y521-L558 HydrophobicContact CE1-CD2 3.47Å; Y521-L558 VanDerWaalsContact CE1-CD2 3.47Å; Y521-L558 HydrophobicContact CE1-CG 4.39Å; Y521-L558 HydrophobicContact CE2-CD1 3.79Å; Y521-L558 HydrophobicContact CG-CD1 3.8Å; Y521-L558 HydrophobicContact CG-CD2 4.22Å; Y521-L558 HydrophobicContact CG-CG 4.34Å
522	P	77.9	Confident	88.3	Confident	100 Å²	100	63.2 Å²	63.2	65%	0.649	37%	0.372	S	S	*	.			trans	-63.3	131.8	173.6	27.5	-32.3	0	0	0	109.1	T524	P522-T524 PolarHBondContact O-N 3.3Å; P522-T524 VanDerWaalsContact O-N 3.17Å; P522-T524 PolarHBondContact O-OG1 2.81Å
523	Q	79.8	Confident	88.3	Confident	166 Å²	166	64.5 Å²	64.5	78%	0.776	38%	0.38	S	S	*	.			trans	-64.2	118.9	178.1	-73	-172	-17.7	0	0	109.5	Y521 E555	Y521-Q523 PolarHBondContact O-N 3.07Å; Q523-E555 WeakPolarHBondContact CA-OE2 3.48Å
524	T	84.7	Confident	88.4	Confident	27 Å²	27	64 Å²	64	17%	0.166	38%	0.382	C	S	.	.			trans	-108.3	136.4	176.5	-49.7	0	0	0	0	109.3	P522 E555 P556 L582	P522-T524 PolarHBondContact O-N 3.3Å; P522-T524 VanDerWaalsContact O-N 3.17Å; P522-T524 PolarHBondContact O-OG1 2.81Å; T524-E555 WeakPolarHBondContact CB-OE1 3.45Å; T524-E555 PolarHBondContact N-OE1 3.41Å; T524-E555 PolarHBondContact N-OE2 3.21Å; T524-E555 PolarHBondContact OG1-OE1 3.31Å; T524-E555 VanDerWaalsContact OG1-OE1 3.08Å; T524-P556 HydrophobicContact CG2-CB 4.44Å; T524-P556 WeakPolarHBondContact O-CD 3.42Å; T524-P556 VanDerWaalsContact O-CG 3.27Å; T524-P556 WeakPolarHBondContact O-CG 3.47Å; T524-L582 HydrophobicContact CG2-CD2 4.49Å
525	T	87.2	Confident	88.6	Confident	110 Å²	110	61 Å²	61	68%	0.675	36%	0.362	S	S	*	.			trans	-103.2	146.9	169.2	53.1	0	0	0	0	109.7
526	A	93	Very high	88.8	Confident	15 Å²	15	57.4 Å²	57.4	12%	0.124	33%	0.334	C	S	.	.			trans	-150.9	151	170.4	0	0	0	0	0	109.5	Y528 P556 L582 L585 T607 I609	A526-Y528 HydrophobicContact CB-CE2 3.98Å; A526-Y528 WeakPolarHBondContact O-CD2 3.34Å; A526-Y528 WeakPolarHBondContact O-CE2 3.5Å; A526-P556 HydrophobicContact CB-CB 4.18Å; A526-P556 HydrophobicContact CB-CG 4.16Å; A526-L582 HydrophobicContact CB-CD2 4.18Å; A526-L585 HydrophobicContact CB-CD1 3.5Å; A526-L585 VanDerWaalsContact CB-CD1 3.5Å; A526-T607 CarbonylContact C-O 3.59Å; A526-T607 WeakPolarHBondContact CA-O 3.32Å; A526-I609 HydrophobicContact CB-CG1 4.37Å
527	N	95.1	Very high	89.1	Confident	88 Å²	88	58.8 Å²	58.8	47%	0.471	33%	0.326	S	S	.	.			trans	-89.9	135	174.4	-64.9	-23.3	0	0	0	109.1	E605 N606 T607	N527-E605 PolarHBondContact ND2-O 2.81Å; N527-N606 WeakPolarHBondContact CB-O 3.43Å; N527-N606 PolarHBondContact ND2-O 3.5Å; N527-T607 PolarHBondContact N-O 2.78Å
528	Y	93.3	Very high	89.3	Confident	39 Å²	39	60.7 Å²	60.7	15%	0.153	33%	0.333	C	S	.	.			trans	-115.3	144.8	-172.9	-69.9	-85	0	0	0	111.3	A526 M532 R536 P556 E581 L585	A526-Y528 HydrophobicContact CB-CE2 3.98Å; A526-Y528 WeakPolarHBondContact O-CD2 3.34Å; A526-Y528 WeakPolarHBondContact O-CE2 3.5Å; Y528-M532 HydrophobicContact CD1-CB 4.23Å; Y528-M532 HydrophobicContact CD1-CE 3.83Å; Y528-M532 HydrophobicContact CD1-SD 4.13Å; Y528-M532 HydrophobicContact CE1-CE 4.02Å; Y528-R536 VanDerWaalsContact CE1-CZ 3.44Å; Y528-R536 PolarHBondContact OH-NH1 2.84Å; Y528-R536 PolarHBondContact OH-NH2 3Å; Y528-P556 WeakPolarHBondContact OH-CB 3.33Å; Y528-P556 WeakPolarHBondContact OH-CG 3.2Å; Y528-E581 HydrophobicContact CE1-CG 4.1Å; Y528-E581 VanDerWaalsContact CE1-OE1 3.26Å; Y528-E581 WeakPolarHBondContact CE1-OE1 3.36Å; Y528-L585 HydrophobicContact CD1-CD1 4.25Å; Y528-L585 HydrophobicContact CD1-CD2 3.77Å; Y528-L585 HydrophobicContact CE1-CD1 3.81Å; Y528-L585 HydrophobicContact CE1-CD2 4.04Å; Y528-L585 HydrophobicContact CE1-CG 4.36Å
529	P	92.1	Very high	89.4	Confident	42 Å²	42	60 Å²	60	27%	0.273	33%	0.331	S	S	.	.			trans	-57.9	149.8	166.6	-19.6	29.5	0	0	0	111.3	E531 M532 V533 L588	P529-E531 PolarHBondContact O-N 2.85Å; P529-E531 VanDerWaalsContact O-N 3.11Å; P529-M532 HydrophobicContact CG-SD 4.37Å; P529-M532 PolarHBondContact O-N 3.38Å; P529-V533 PolarHBondContact O-N 3.42Å; P529-L588 HydrophobicContact CG-CD1 3.85Å
530	P	91.4	Very high	89.7	Confident	114 Å²	114	61 Å²	61	74%	0.74	34%	0.336	S	S	*	.	H	α-helix	trans	-52.4	-37.5	-177.5	-29.3	35.4	0	0	0	114.7	M532 V533 A534	P530-M532 PolarHBondContact O-N 2.84Å; P530-V533 PolarHBondContact O-N 3.47Å; P530-A534 WeakPolarHBondContact O-CB 3.49Å; P530-A534 PolarHBondContact O-N 2.94Å
531	E	90.7	Very high	90.2	Very high	84 Å²	84	64 Å²	64	39%	0.393	34%	0.337	S	S	.	.	H	α-helix	trans	-62.8	-40.8	178.8	-169.7	-177.5	-174.2	0	0	112.5	Y504 A505 I506 P529 L535	Y504-E531 HydrophobicContact CD1-CG 4.45Å; A505-E531 PolarHBondContact N-OE1 3.35Å; I506-E531 HydrophobicContact CD1-CB 4.35Å; I506-E531 HydrophobicContact CD1-CG 3.85Å; I506-E531 HydrophobicContact CG1-CG 4.49Å; P529-E531 PolarHBondContact O-N 2.85Å; P529-E531 VanDerWaalsContact O-N 3.11Å; E531-L535 PolarHBondContact O-N 3.39Å
532	M	93	Very high	90.8	Very high	27 Å²	27	62.5 Å²	62.5	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-71.4	-35.4	177.6	-69.3	-175.8	72.2	0	0	111.9	I506 Y528 P529 P530 R536 E581 L585 L588	I506-M532 HydrophobicContact CD1-CG 3.84Å; Y528-M532 HydrophobicContact CD1-CB 4.23Å; Y528-M532 HydrophobicContact CD1-CE 3.83Å; Y528-M532 HydrophobicContact CD1-SD 4.13Å; Y528-M532 HydrophobicContact CE1-CE 4.02Å; P529-M532 HydrophobicContact CG-SD 4.37Å; P529-M532 PolarHBondContact O-N 3.38Å; P530-M532 PolarHBondContact O-N 2.84Å; M532-R536 VanDerWaalsContact O-CG 3.32Å; M532-R536 WeakPolarHBondContact O-CG 3.25Å; M532-R536 PolarHBondContact O-N 3.09Å; M532-R536 VanDerWaalsContact O-N 3.13Å; M532-E581 HydrophobicContact CE-CG 4.37Å; M532-E581 WeakPolarHBondContact CE-OE1 3.46Å; M532-L585 HydrophobicContact SD-CD2 4.22Å; M532-L588 HydrophobicContact SD-CD1 4.49Å
533	V	93.1	Very high	91.6	Very high	53 Å²	53	58.3 Å²	58.3	32%	0.321	30%	0.303	S	S	.	.	H	α-helix	trans	-63.2	-50.3	174.9	177.9	0	0	0	0	110.2	P529 P530 L535 R536 E537	P529-V533 PolarHBondContact O-N 3.42Å; P530-V533 PolarHBondContact O-N 3.47Å; V533-L535 VanDerWaalsContact C-N 3.3Å; V533-L535 PolarHBondContact O-N 2.84Å; V533-R536 WeakPolarHBondContact O-CB 3.32Å; V533-R536 PolarHBondContact O-N 3.16Å; V533-R536 VanDerWaalsContact O-N 3.09Å; V533-E537 HydrophobicContact CG1-CG 4.44Å; V533-E537 WeakPolarHBondContact O-CG 2.79Å; V533-E537 PolarHBondContact O-N 3.13Å
534	A	92.6	Very high	92.2	Very high	31 Å²	31	53.2 Å²	53.2	26%	0.256	28%	0.281	S	S	.	.	H	α-helix	trans	-56.8	-43.2	179.2	0	0	0	0	0	112.2	Y504 P530 R536 E537 E538	Y504-A534 HydrophobicContact CE1-CB 4.35Å; P530-A534 WeakPolarHBondContact O-CB 3.49Å; P530-A534 PolarHBondContact O-N 2.94Å; A534-R536 PolarHBondContact O-N 2.9Å; A534-E537 PolarHBondContact O-N 3.19Å; A534-E538 WeakPolarHBondContact O-CB 3.16Å; A534-E538 PolarHBondContact O-N 3.34Å
535	L	91.5	Very high	92.6	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-37.8	176.8	-81.2	168.7	0	0	0	113.5	L500 Y504 I506 L508 E531 V533 F539	L500-L535 HydrophobicContact CD2-CD2 3.79Å; Y504-L535 HydrophobicContact CD1-CD1 4.2Å; Y504-L535 HydrophobicContact CD1-CD2 3.74Å; Y504-L535 HydrophobicContact CD1-CG 3.74Å; Y504-L535 HydrophobicContact CD2-CD2 3.89Å; Y504-L535 HydrophobicContact CE1-CD2 4.17Å; Y504-L535 HydrophobicContact CE1-CG 4.09Å; Y504-L535 HydrophobicContact CE2-CD2 4.29Å; Y504-L535 HydrophobicContact CG-CD1 4.49Å; Y504-L535 HydrophobicContact CG-CD2 3.58Å; Y504-L535 HydrophobicContact CG-CG 4.1Å; I506-L535 HydrophobicContact CB-CD1 3.61Å; I506-L535 HydrophobicContact CD1-CD1 4.13Å; I506-L535 HydrophobicContact CG1-CD1 4.35Å; I506-L535 HydrophobicContact CG2-CD1 4Å; L508-L535 HydrophobicContact CD2-CB 4.27Å; E531-L535 PolarHBondContact O-N 3.39Å; V533-L535 VanDerWaalsContact C-N 3.3Å; V533-L535 PolarHBondContact O-N 2.84Å; L535-F539 WeakPolarHBondContact O-CB 3.24Å; L535-F539 PolarHBondContact O-N 2.66Å
536	R	92.4	Very high	92.7	Very high	34 Å²	34	56.5 Å²	56.5	13%	0.128	29%	0.294	C	S	.	.	H	α-helix	trans	-67.4	-41.5	175.5	-74.1	171.2	171.8	-146.8	-9.1	111.6	Y528 M532 V533 A534 F539 T540 Y554 E581	Y528-R536 VanDerWaalsContact CE1-CZ 3.44Å; Y528-R536 PolarHBondContact OH-NH1 2.84Å; Y528-R536 PolarHBondContact OH-NH2 3Å; M532-R536 VanDerWaalsContact O-CG 3.32Å; M532-R536 WeakPolarHBondContact O-CG 3.25Å; M532-R536 PolarHBondContact O-N 3.09Å; M532-R536 VanDerWaalsContact O-N 3.13Å; V533-R536 WeakPolarHBondContact O-CB 3.32Å; V533-R536 PolarHBondContact O-N 3.16Å; V533-R536 VanDerWaalsContact O-N 3.09Å; A534-R536 PolarHBondContact O-N 2.9Å; R536-F539 PolarHBondContact O-N 3.49Å; R536-T540 WeakPolarHBondContact O-CB 3.24Å; R536-T540 PolarHBondContact O-N 3.33Å; R536-T540 PolarHBondContact O-OG1 2.94Å; R536-Y554 HydrophobicContact CB-CE1 4.31Å; R536-Y554 HydrophobicContact CB-CE2 4.18Å; R536-Y554 HydrophobicContact CG-CD1 4.22Å; R536-Y554 HydrophobicContact CG-CE1 3.9Å; R536-Y554 PolarHBondContact O-OH 3.15Å; R536-E581 IonicContact CZ-OE1 3.17Å; R536-E581 VanDerWaalsContact NH2-CD 3.29Å; R536-E581 IonicContact NH2-OE1 3.71Å; R536-E581 PolarHBondContact NH2-OE1 3.17Å; R536-E581 IonicContact NH2-OE2 2.68Å; R536-E581 PolarHBondContact NH2-OE2 2.71Å
537	E	92.8	Very high	92.6	Very high	113 Å²	113	58.8 Å²	58.8	53%	0.528	30%	0.302	S	S	.	.	H	α-helix	trans	-64.1	-41.9	176	-70.5	178.6	174.9	0	0	111.5	V533 A534 T540 R541	V533-E537 HydrophobicContact CG1-CG 4.44Å; V533-E537 WeakPolarHBondContact O-CG 2.79Å; V533-E537 PolarHBondContact O-N 3.13Å; A534-E537 PolarHBondContact O-N 3.19Å; E537-T540 PolarHBondContact O-N 2.88Å; E537-R541 PolarHBondContact O-N 2.87Å
538	E	92.3	Very high	92.3	Very high	56 Å²	56	62.8 Å²	62.8	26%	0.262	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-46.9	175.6	-164.3	60.3	-122.5	0	0	111.5	F496 L500 A534 T540 R541 F542	F496-E538 HydrophobicContact CE2-CB 4.44Å; F496-E538 HydrophobicContact CE2-CG 4.13Å; F496-E538 HydrophobicContact CZ-CB 4.29Å; F496-E538 HydrophobicContact CZ-CG 4.3Å; L500-E538 HydrophobicContact CD1-CG 3.9Å; A534-E538 WeakPolarHBondContact O-CB 3.16Å; A534-E538 PolarHBondContact O-N 3.34Å; E538-T540 VanDerWaalsContact C-N 3.3Å; E538-T540 PolarHBondContact O-N 2.85Å; E538-R541 PolarHBondContact O-N 3.42Å; E538-R541 IonicContact OE1-NH1 3.79Å; E538-R541 PolarHBondContact OE1-NH1 3.24Å; E538-R541 IonicContact OE2-CZ 2.8Å; E538-R541 IonicContact OE2-NH1 2.89Å; E538-R541 PolarHBondContact OE2-NH1 2.94Å; E538-F542 WeakPolarHBondContact O-CB 3.27Å; E538-F542 PolarHBondContact O-N 2.94Å
539	F	93.6	Very high	92.2	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.6	-41.7	175.2	-176.7	-89.3	0	0	0	111.9	L492 F496 L508 V510 V512 L535 R536 R541 F542 Y543 L552 Y554	L492-F539 HydrophobicContact CD2-CE2 4.38Å; L492-F539 HydrophobicContact CD2-CZ 3.71Å; L492-F539 HydrophobicContact CG-CE2 4.37Å; L492-F539 HydrophobicContact CG-CZ 4.18Å; F496-F539 HydrophobicContact CB-CD2 4.24Å; F496-F539 HydrophobicContact CB-CE2 4.29Å; F496-F539 AromaticContact CD1-CD2 3.74Å; F496-F539 HydrophobicContact CD1-CD2 3.74Å; F496-F539 HydrophobicContact CD1-CE2 4.45Å; F496-F539 AromaticContact CD2-CD2 3.91Å; F496-F539 HydrophobicContact CD2-CD2 3.91Å; F496-F539 HydrophobicContact CE1-CB 4.18Å; F496-F539 AromaticContact CE1-CD2 3.97Å; F496-F539 HydrophobicContact CE1-CD2 3.97Å; F496-F539 VanDerWaalsContact CE2-CA 3.42Å; F496-F539 HydrophobicContact CE2-CB 3.96Å; F496-F539 HydrophobicContact CE2-CD2 4.12Å; F496-F539 AromaticContact CG-CD2 3.68Å; F496-F539 HydrophobicContact CG-CD2 3.68Å; F496-F539 HydrophobicContact CG-CE2 4.23Å; F496-F539 HydrophobicContact CZ-CB 3.71Å; F496-F539 HydrophobicContact CZ-CD2 4.12Å; F496-F539 HydrophobicContact CZ-CG 4.44Å; L508-F539 HydrophobicContact CD2-CB 4.14Å; V510-F539 HydrophobicContact CB-CD1 4.35Å; V510-F539 HydrophobicContact CB-CD2 4.25Å; V510-F539 HydrophobicContact CB-CE1 3.83Å; V510-F539 HydrophobicContact CB-CE2 3.72Å; V510-F539 HydrophobicContact CB-CZ 3.48Å; V510-F539 VanDerWaalsContact CB-CZ 3.48Å; V510-F539 HydrophobicContact CG1-CD1 4.23Å; V510-F539 HydrophobicContact CG1-CE1 3.63Å; V510-F539 HydrophobicContact CG1-CE2 4.44Å; V510-F539 HydrophobicContact CG1-CZ 3.74Å; V510-F539 HydrophobicContact CG2-CD1 4.01Å; V510-F539 HydrophobicContact CG2-CD2 3.71Å; V510-F539 HydrophobicContact CG2-CE1 4.01Å; V510-F539 HydrophobicContact CG2-CE2 3.71Å; V510-F539 HydrophobicContact CG2-CG 3.85Å; V510-F539 HydrophobicContact CG2-CZ 3.85Å; V512-F539 HydrophobicContact CG2-CE1 3.98Å; V512-F539 HydrophobicContact CG2-CZ 3.89Å; L535-F539 WeakPolarHBondContact O-CB 3.24Å; L535-F539 PolarHBondContact O-N 2.66Å; R536-F539 PolarHBondContact O-N 3.49Å; F539-R541 VanDerWaalsContact C-N 3.34Å; F539-R541 PolarHBondContact O-N 3.32Å; F539-F542 PolarHBondContact O-N 2.92Å; F539-Y543 WeakPolarHBondContact O-CB 3.29Å; F539-Y543 PolarHBondContact O-N 3.48Å; F539-L552 HydrophobicContact CD1-CD1 4.16Å; F539-L552 HydrophobicContact CE1-CD1 4.07Å; F539-Y554 WeakPolarHBondContact CD1-OH 3.31Å
540	T	93.8	Very high	92.2	Very high	37 Å²	37	70.1 Å²	70.1	23%	0.227	37%	0.368	C	S	.	.	H	α-helix	trans	-61.5	-44.6	178.1	-61.8	0	0	0	0	110.8	R536 E537 E538 Y543 L544 L552 Y554	R536-T540 WeakPolarHBondContact O-CB 3.24Å; R536-T540 PolarHBondContact O-N 3.33Å; R536-T540 PolarHBondContact O-OG1 2.94Å; E537-T540 PolarHBondContact O-N 2.88Å; E538-T540 VanDerWaalsContact C-N 3.3Å; E538-T540 PolarHBondContact O-N 2.85Å; T540-Y543 PolarHBondContact O-N 3.17Å; T540-L544 HydrophobicContact CG2-CD1 3.74Å; T540-L544 HydrophobicContact CG2-CG 4.31Å; T540-L544 WeakPolarHBondContact O-CB 3.41Å; T540-L544 VanDerWaalsContact O-CG 3.24Å; T540-L544 WeakPolarHBondContact O-CG 3.29Å; T540-L544 PolarHBondContact O-N 3.3Å; T540-L552 HydrophobicContact CG2-CD1 4.46Å; T540-Y554 PolarHBondContact OG1-OH 3.48Å; T540-Y554 VanDerWaalsContact OG1-OH 3.09Å
541	R	92.8	Very high	92.1	Very high	144 Å²	144	73.3 Å²	73.3	54%	0.543	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-46.1	176.3	-165.6	-175.3	-55.5	118.8	3.4	111.7	E537 E538 F539 Y543 L544 S545	E537-R541 PolarHBondContact O-N 2.87Å; E538-R541 PolarHBondContact O-N 3.42Å; E538-R541 IonicContact OE1-NH1 3.79Å; E538-R541 PolarHBondContact OE1-NH1 3.24Å; E538-R541 IonicContact OE2-CZ 2.8Å; E538-R541 IonicContact OE2-NH1 2.89Å; E538-R541 PolarHBondContact OE2-NH1 2.94Å; F539-R541 VanDerWaalsContact C-N 3.34Å; F539-R541 PolarHBondContact O-N 3.32Å; R541-Y543 VanDerWaalsContact C-N 3.35Å; R541-Y543 PolarHBondContact O-N 3.3Å; R541-L544 PolarHBondContact O-N 2.86Å; R541-S545 PolarHBondContact O-N 2.89Å; R541-S545 VanDerWaalsContact O-N 3.1Å
542	F	93.1	Very high	92.2	Very high	30 Å²	30	71.2 Å²	71.2	13%	0.132	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-42.9	176.5	167.3	-99.2	0	0	0	112.6	L492 N495 F496 E538 F539 S545 H546	L492-F542 HydrophobicContact CD1-CE1 3.63Å; L492-F542 HydrophobicContact CD1-CZ 4.34Å; L492-F542 HydrophobicContact CG-CE1 4.3Å; N495-F542 HydrophobicContact CB-CZ 4.01Å; F496-F542 HydrophobicContact CB-CD1 3.93Å; F496-F542 HydrophobicContact CB-CE1 3.7Å; F496-F542 HydrophobicContact CB-CZ 4.16Å; F496-F542 HydrophobicContact CD2-CB 3.76Å; F496-F542 AromaticContact CD2-CD1 3.58Å; F496-F542 HydrophobicContact CD2-CD1 3.58Å; F496-F542 HydrophobicContact CD2-CD2 4.22Å; F496-F542 HydrophobicContact CD2-CE1 4.22Å; F496-F542 AromaticContact CD2-CG 3.58Å; F496-F542 HydrophobicContact CD2-CG 3.58Å; F496-F542 HydrophobicContact CE2-CB 3.97Å; F496-F542 HydrophobicContact CE2-CG 4.3Å; F496-F542 HydrophobicContact CG-CD1 4.16Å; F496-F542 HydrophobicContact CG-CE1 4.42Å; E538-F542 WeakPolarHBondContact O-CB 3.27Å; E538-F542 PolarHBondContact O-N 2.94Å; F539-F542 PolarHBondContact O-N 2.92Å; F542-S545 PolarHBondContact O-OG 3.04Å; F542-H546 PolarHBondContact O-ND1 3.32Å; F542-H546 VanDerWaalsContact O-ND1 3.1Å
543	Y	94.4	Very high	92.1	Very high	11 Å²	11	75.6 Å²	75.6	4%	0.043	38%	0.384	C	S	.	.	H	α-helix	trans	-68.6	-46.2	179.9	-175.5	-97.9	0	0	0	111.8	L492 V512 F539 T540 R541 S545 H546 H547 R550 L552	L492-Y543 HydrophobicContact CD1-CD2 4.2Å; L492-Y543 HydrophobicContact CD2-CD2 3.69Å; L492-Y543 HydrophobicContact CD2-CE2 3.81Å; V512-Y543 HydrophobicContact CB-CE2 4.43Å; V512-Y543 HydrophobicContact CG1-CE2 3.88Å; V512-Y543 HydrophobicContact CG2-CD2 4.42Å; V512-Y543 HydrophobicContact CG2-CE2 4.17Å; F539-Y543 WeakPolarHBondContact O-CB 3.29Å; F539-Y543 PolarHBondContact O-N 3.48Å; T540-Y543 PolarHBondContact O-N 3.17Å; R541-Y543 VanDerWaalsContact C-N 3.35Å; R541-Y543 PolarHBondContact O-N 3.3Å; Y543-S545 VanDerWaalsContact C-N 3.3Å; Y543-S545 PolarHBondContact O-N 3.28Å; Y543-H546 PolarHBondContact O-N 2.66Å; Y543-H547 HydrophobicContact CD1-CB 4.14Å; Y543-H547 AromaticContact CD2-CD2 3.6Å; Y543-H547 HydrophobicContact CE1-CB 3.74Å; Y543-H547 AromaticContact CE2-CD2 3.31Å; Y543-H547 WeakPolarHBondContact CE2-CD2 3.11Å; Y543-H547 AromaticContact CE2-NE2 3.87Å; Y543-H547 AromaticContact CZ-CD2 3.54Å; Y543-H547 AromaticContact CZ-CG 3.85Å; Y543-H547 WeakPolarHBondContact O-CB 3.41Å; Y543-H547 PolarHBondContact O-CD2 3.34Å; Y543-H547 PolarHBondContact O-N 2.81Å; Y543-R550 HydrophobicContact CE1-CB 4.12Å; Y543-R550 WeakPolarHBondContact OH-CD 3.32Å; Y543-R550 PolarHBondContact OH-NH1 2.91Å; Y543-L552 HydrophobicContact CD1-CD1 3.69Å; Y543-L552 HydrophobicContact CD1-CD2 3.81Å; Y543-L552 HydrophobicContact CD1-CG 3.83Å; Y543-L552 HydrophobicContact CE1-CD1 4.46Å; Y543-L552 HydrophobicContact CE1-CD2 3.72Å; Y543-L552 HydrophobicContact CE1-CG 4.2Å; Y543-L552 HydrophobicContact CG-CD1 3.86Å; Y543-L552 HydrophobicContact CG-CD2 4.42Å; Y543-L552 HydrophobicContact CG-CG 4.46Å
544	L	94.3	Very high	92	Very high	60 Å²	60	76 Å²	76	31%	0.314	38%	0.381	S	S	.	.	H	α-helix	trans	-71	-22.9	-176.4	-66.7	177.6	0	0	0	113.4	T540 R541 H546 H547 R550	T540-L544 HydrophobicContact CG2-CD1 3.74Å; T540-L544 HydrophobicContact CG2-CG 4.31Å; T540-L544 WeakPolarHBondContact O-CB 3.41Å; T540-L544 VanDerWaalsContact O-CG 3.24Å; T540-L544 WeakPolarHBondContact O-CG 3.29Å; T540-L544 PolarHBondContact O-N 3.3Å; R541-L544 PolarHBondContact O-N 2.86Å; L544-H546 PolarHBondContact O-N 2.96Å; L544-H547 CarbonylContact O-C 3.59Å; L544-R550 HydrophobicContact CD2-CB 4.34Å; L544-R550 WeakPolarHBondContact CD2-O 3.43Å
545	S	92.5	Very high	91.9	Very high	74 Å²	74	76.4 Å²	76.4	52%	0.517	38%	0.377	S	S	.	.	H	α-helix	trans	-65.2	-28.7	173.1	68.9	0	0	0	0	112.7	R541 F542 Y543	R541-S545 PolarHBondContact O-N 2.89Å; R541-S545 VanDerWaalsContact O-N 3.1Å; F542-S545 PolarHBondContact O-OG 3.04Å; Y543-S545 VanDerWaalsContact C-N 3.3Å; Y543-S545 PolarHBondContact O-N 3.28Å
546	H	89.9	Confident	91.7	Very high	131 Å²	131	76.4 Å²	76.4	61%	0.606	38%	0.378	S	S	*	.	H	α-helix	trans	-100.9	-21.2	177.2	-61.7	85.9	0	0	0	113.2	F542 Y543 L544	F542-H546 PolarHBondContact O-ND1 3.32Å; F542-H546 VanDerWaalsContact O-ND1 3.1Å; Y543-H546 PolarHBondContact O-N 2.66Å; L544-H546 PolarHBondContact O-N 2.96Å
547	H	90.8	Very high	91.3	Very high	63 Å²	63	77 Å²	77	29%	0.292	39%	0.386	S	S	.	.	S	Bend	trans	-129	68.6	-175.5	-59.9	-67.8	0	0	0	112	Y543 L544 R550	Y543-H547 HydrophobicContact CD1-CB 4.14Å; Y543-H547 AromaticContact CD2-CD2 3.6Å; Y543-H547 HydrophobicContact CE1-CB 3.74Å; Y543-H547 AromaticContact CE2-CD2 3.31Å; Y543-H547 WeakPolarHBondContact CE2-CD2 3.11Å; Y543-H547 AromaticContact CE2-NE2 3.87Å; Y543-H547 AromaticContact CZ-CD2 3.54Å; Y543-H547 AromaticContact CZ-CG 3.85Å; Y543-H547 WeakPolarHBondContact O-CB 3.41Å; Y543-H547 PolarHBondContact O-CD2 3.34Å; Y543-H547 PolarHBondContact O-N 2.81Å; L544-H547 CarbonylContact O-C 3.59Å; H547-R550 HydrophobicContact CB-CG 4.26Å; H547-R550 PolarHBondContact O-N 3.48Å
548	Q	88.4	Confident	90.9	Very high	172 Å²	172	73.5 Å²	73.5	80%	0.804	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	144.8	178.5	-61.3	-178.5	5.9	0	0	111.8	R550	Q548-R550 VanDerWaalsContact C-N 3.31Å; Q548-R550 PolarHBondContact O-N 2.97Å
549	G	90.1	Very high	90.7	Very high	90 Å²	90	71.7 Å²	71.7	93%	0.928	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	1.3	178.5	0	0	0	0	0	115.7
550	R	91.7	Very high	90.5	Very high	145 Å²	145	75.1 Å²	75.1	55%	0.547	39%	0.389	S	S	.	.			trans	-90.9	156.7	174.3	-60.1	-165	-177.4	-173.8	-4.1	111.5	Y543 L544 H547 Q548	Y543-R550 HydrophobicContact CE1-CB 4.12Å; Y543-R550 WeakPolarHBondContact OH-CD 3.32Å; Y543-R550 PolarHBondContact OH-NH1 2.91Å; L544-R550 HydrophobicContact CD2-CB 4.34Å; L544-R550 WeakPolarHBondContact CD2-O 3.43Å; H547-R550 HydrophobicContact CB-CG 4.26Å; H547-R550 PolarHBondContact O-N 3.48Å; Q548-R550 VanDerWaalsContact C-N 3.31Å; Q548-R550 PolarHBondContact O-N 2.97Å
551	K	90.9	Very high	90.4	Very high	181 Å²	181	74.9 Å²	74.9	79%	0.787	39%	0.388	S	S	*	.			trans	-121.7	127.3	170.3	-178.1	178.2	178.9	179.9	0	108.7
552	L	92.1	Very high	90.4	Very high	40 Å²	40	72 Å²	72	21%	0.209	39%	0.386	C	S	.	.			trans	-92.1	137.6	172.7	-66	-179.4	0	0	0	110	V512 F539 T540 Y543	V512-L552 HydrophobicContact CG1-CD2 4.23Å; F539-L552 HydrophobicContact CD1-CD1 4.16Å; F539-L552 HydrophobicContact CE1-CD1 4.07Å; T540-L552 HydrophobicContact CG2-CD1 4.46Å; Y543-L552 HydrophobicContact CD1-CD1 3.69Å; Y543-L552 HydrophobicContact CD1-CD2 3.81Å; Y543-L552 HydrophobicContact CD1-CG 3.83Å; Y543-L552 HydrophobicContact CE1-CD1 4.46Å; Y543-L552 HydrophobicContact CE1-CD2 3.72Å; Y543-L552 HydrophobicContact CE1-CG 4.2Å; Y543-L552 HydrophobicContact CG-CD1 3.86Å; Y543-L552 HydrophobicContact CG-CD2 4.42Å; Y543-L552 HydrophobicContact CG-CG 4.46Å
553	I	90.7	Very high	90.4	Very high	119 Å²	119	72.1 Å²	72.1	61%	0.61	39%	0.389	S	S	*	.			trans	-126.8	122.4	172.5	-58	175.1	0	0	0	105.8
554	Y	90.8	Very high	90.4	Very high	62 Å²	62	78 Å²	78	24%	0.243	42%	0.415	C	S	.	.			trans	-86.9	131.9	177.3	-69.4	-91.4	0	0	0	109.1	R536 F539 T540 P556	R536-Y554 HydrophobicContact CB-CE1 4.31Å; R536-Y554 HydrophobicContact CB-CE2 4.18Å; R536-Y554 HydrophobicContact CG-CD1 4.22Å; R536-Y554 HydrophobicContact CG-CE1 3.9Å; R536-Y554 PolarHBondContact O-OH 3.15Å; F539-Y554 WeakPolarHBondContact CD1-OH 3.31Å; T540-Y554 PolarHBondContact OG1-OH 3.48Å; T540-Y554 VanDerWaalsContact OG1-OH 3.09Å; Y554-P556 WeakPolarHBondContact O-CD 3.49Å
555	E	90	Very high	90.3	Very high	40 Å²	40	76 Å²	76	19%	0.187	41%	0.407	C	S	.	.			trans	-111.2	100.1	179.1	-178.1	48.3	-117.5	0	0	110.1	Q523 T524 S557 L558	Q523-E555 WeakPolarHBondContact CA-OE2 3.48Å; T524-E555 WeakPolarHBondContact CB-OE1 3.45Å; T524-E555 PolarHBondContact N-OE1 3.41Å; T524-E555 PolarHBondContact N-OE2 3.21Å; T524-E555 PolarHBondContact OG1-OE1 3.31Å; T524-E555 VanDerWaalsContact OG1-OE1 3.08Å; E555-S557 WeakPolarHBondContact CG-OG 3.38Å; E555-S557 PolarHBondContact O-N 3.37Å; E555-S557 WeakPolarHBondContact OE1-CB 3.06Å; E555-S557 PolarHBondContact OE1-N 3Å; E555-S557 PolarHBondContact OE1-OG 3.49Å; E555-L558 HydrophobicContact CB-CD1 4.17Å; E555-L558 HydrophobicContact CG-CB 4.49Å; E555-L558 HydrophobicContact CG-CD1 3.85Å; E555-L558 HydrophobicContact CG-CG 3.93Å; E555-L558 PolarHBondContact O-N 2.98Å
556	P	87.9	Confident	90.1	Very high	3 Å²	3	79.1 Å²	79.1	2%	0.019	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-57.9	-33.4	-175.9	-22	31.1	0	0	0	113.8	T524 A526 Y528 Y554 L558 G559 E581 L582	T524-P556 HydrophobicContact CG2-CB 4.44Å; T524-P556 WeakPolarHBondContact O-CD 3.42Å; T524-P556 VanDerWaalsContact O-CG 3.27Å; T524-P556 WeakPolarHBondContact O-CG 3.47Å; A526-P556 HydrophobicContact CB-CB 4.18Å; A526-P556 HydrophobicContact CB-CG 4.16Å; Y528-P556 WeakPolarHBondContact OH-CB 3.33Å; Y528-P556 WeakPolarHBondContact OH-CG 3.2Å; Y554-P556 WeakPolarHBondContact O-CD 3.49Å; P556-L558 PolarHBondContact O-N 3.45Å; P556-G559 PolarHBondContact O-N 3.33Å; P556-G559 VanDerWaalsContact O-N 3.15Å; P556-E581 WeakPolarHBondContact CA-OE2 3.25Å; P556-L582 HydrophobicContact CB-CD2 3.75Å
557	S	84.2	Confident	90.1	Very high	45 Å²	45	73.1 Å²	73.1	32%	0.315	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-66.5	-20.4	-176.1	63.3	0	0	0	0	113.6	E555	E555-S557 WeakPolarHBondContact CG-OG 3.38Å; E555-S557 PolarHBondContact O-N 3.37Å; E555-S557 WeakPolarHBondContact OE1-CB 3.06Å; E555-S557 PolarHBondContact OE1-N 3Å; E555-S557 PolarHBondContact OE1-OG 3.49Å
558	L	84.5	Confident	90	Very high	41 Å²	41	74.2 Å²	74.2	22%	0.215	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-97.5	-8.1	178.3	-61.3	173	0	0	0	113.1	L450 Y521 E555 P556	L450-L558 HydrophobicContact CD1-CD1 4.03Å; L450-L558 HydrophobicContact CD1-CD2 4.03Å; L450-L558 HydrophobicContact CD1-CG 4.46Å; Y521-L558 HydrophobicContact CD1-CD1 4.06Å; Y521-L558 HydrophobicContact CD1-CD2 3.6Å; Y521-L558 HydrophobicContact CD1-CG 4.2Å; Y521-L558 HydrophobicContact CD2-CD1 3.66Å; Y521-L558 HydrophobicContact CE1-CD1 4.19Å; Y521-L558 HydrophobicContact CE1-CD2 3.47Å; Y521-L558 VanDerWaalsContact CE1-CD2 3.47Å; Y521-L558 HydrophobicContact CE1-CG 4.39Å; Y521-L558 HydrophobicContact CE2-CD1 3.79Å; Y521-L558 HydrophobicContact CG-CD1 3.8Å; Y521-L558 HydrophobicContact CG-CD2 4.22Å; Y521-L558 HydrophobicContact CG-CG 4.34Å; E555-L558 HydrophobicContact CB-CD1 4.17Å; E555-L558 HydrophobicContact CG-CB 4.49Å; E555-L558 HydrophobicContact CG-CD1 3.85Å; E555-L558 HydrophobicContact CG-CG 3.93Å; E555-L558 PolarHBondContact O-N 2.98Å; P556-L558 PolarHBondContact O-N 3.45Å
559	G	88.1	Confident	90	Very high	17 Å²	17	68.8 Å²	68.8	18%	0.175	38%	0.375	C	S	.	.			trans	-73	147.8	-179	0	0	0	0	0	112.7	P556 S580 E581	P556-G559 PolarHBondContact O-N 3.33Å; P556-G559 VanDerWaalsContact O-N 3.15Å; G559-S580 WeakPolarHBondContact O-CA 3.31Å; G559-E581 PolarHBondContact O-N 2.81Å
560	T	89.6	Confident	89.8	Confident	73 Å²	73	65.5 Å²	65.5	45%	0.448	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	149.2	170.4	66.3	0	0	0	0	110.3	L451 V579	L451-T560 HydrophobicContact CD2-CG2 3.55Å; T560-V579 WeakPolarHBondContact CA-O 3.22Å
561	C	91.9	Very high	89.4	Confident	31 Å²	31	63.3 Å²	63.3	21%	0.209	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151.1	178.8	-56.7	0	0	0	0	110.8	V563 V579 A584	C561-V563 HydrophobicContact CB-CG2 4.26Å; C561-V579 HydrophobicContact CB-CG2 4.11Å; C561-V579 PolarHBondContact N-O 2.76Å; C561-V579 PolarHBondContact O-N 2.91Å; C561-A584 HydrophobicContact CB-CB 3.75Å
562	V	92.8	Very high	89.2	Confident	84 Å²	84	62.6 Å²	62.6	51%	0.509	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	100.9	166.2	-176.5	0	0	0	0	107.8	E576 L577 Q578	V562-E576 HydrophobicContact CG1-CB 4.01Å; V562-E576 HydrophobicContact CG1-CG 4.31Å; V562-L577 CarbonylContact C-O 3.49Å; V562-L577 WeakPolarHBondContact CA-O 3.49Å; V562-Q578 HydrophobicContact CG2-CG 4.33Å
563	V	93.5	Very high	89	Confident	33 Å²	33	64.4 Å²	64.4	20%	0.2	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.2	-177.9	-178.7	0	0	0	0	109.4	C561 A565 L577 V579 A584	C561-V563 HydrophobicContact CB-CG2 4.26Å; V563-A565 PolarHBondContact O-N 3.31Å; V563-L577 HydrophobicContact CB-CB 4.35Å; V563-L577 PolarHBondContact N-O 3.29Å; V563-L577 PolarHBondContact O-N 2.9Å; V563-V579 HydrophobicContact CG2-CG2 3.71Å; V563-A584 HydrophobicContact CG2-CB 3.92Å
564	K	92.9	Very high	88.9	Confident	135 Å²	135	65.5 Å²	65.5	59%	0.587	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	95.4	174.4	-72.5	175.4	-178	172.8	0	109.8	K575 E576	K564-K575 CarbonylContact C-O 3.53Å; K564-K575 WeakPolarHBondContact CA-O 3.41Å; K564-E576 WeakPolarHBondContact CE-OE1 3.39Å; K564-E576 HydrophobicContact CG-CG 4.04Å
565	A	91.9	Very high	89	Confident	16 Å²	16	62.9 Å²	62.9	13%	0.132	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	144.8	-177.4	0	0	0	0	0	112.5	V563 F567 R574 K575 L577	V563-A565 PolarHBondContact O-N 3.31Å; A565-F567 HydrophobicContact CB-CD2 4.34Å; A565-F567 HydrophobicContact CB-CE2 3.63Å; A565-F567 HydrophobicContact CB-CZ 4.09Å; A565-R574 CarbonylContact O-C 3.53Å; A565-R574 WeakPolarHBondContact O-CA 3.32Å; A565-K575 PolarHBondContact N-O 2.71Å; A565-K575 PolarHBondContact O-N 2.82Å; A565-L577 HydrophobicContact CB-CD1 3.77Å; A565-L577 HydrophobicContact CB-CG 4.11Å
566	K	89.6	Confident	89.2	Confident	141 Å²	141	62.7 Å²	62.7	61%	0.613	34%	0.341	S	S	*	.			trans	-103.6	128.3	171.3	-69.9	178.1	-177.7	177.7	0	108.8	R574	K566-R574 HydrophobicContact CG-CG 4.03Å
567	F	89.8	Confident	89.4	Confident	5 Å²	5	62.7 Å²	62.7	2%	0.022	34%	0.341	C	S	.	.			trans	-116.6	138.6	175.6	-67.8	-84.3	0	0	0	109.9	A565 T569 T570 K575 L577 V629 F647 F651	A565-F567 HydrophobicContact CB-CD2 4.34Å; A565-F567 HydrophobicContact CB-CE2 3.63Å; A565-F567 HydrophobicContact CB-CZ 4.09Å; F567-T569 PolarHBondContact O-N 2.99Å; F567-T570 CarbonylContact O-C 3.54Å; F567-T570 VanDerWaalsContact O-C 3.23Å; F567-T570 PolarHBondContact O-N 3.41Å; F567-K575 HydrophobicContact CD2-CB 4.04Å; F567-K575 HydrophobicContact CD2-CG 3.74Å; F567-K575 HydrophobicContact CE2-CB 3.91Å; F567-K575 HydrophobicContact CE2-CG 4.04Å; F567-L577 HydrophobicContact CE2-CD2 4.34Å; F567-L577 HydrophobicContact CZ-CD1 4.4Å; F567-V629 HydrophobicContact CE1-CG1 4.46Å; F567-V629 HydrophobicContact CZ-CG1 3.97Å; F567-F647 HydrophobicContact CD1-CE1 4.43Å; F567-F647 AromaticContact CD1-CE2 3.86Å; F567-F647 HydrophobicContact CD1-CE2 3.86Å; F567-F647 AromaticContact CD1-CZ 3.45Å; F567-F647 HydrophobicContact CD1-CZ 3.45Å; F567-F647 VanDerWaalsContact CD1-CZ 3.45Å; F567-F647 AromaticContact CE1-CE2 3.41Å; F567-F647 HydrophobicContact CE1-CE2 3.41Å; F567-F647 VanDerWaalsContact CE1-CE2 3.41Å; F567-F647 AromaticContact CE1-CZ 3.54Å; F567-F647 HydrophobicContact CE1-CZ 3.54Å; F567-F647 HydrophobicContact CG-CZ 4.37Å; F567-F647 HydrophobicContact CZ-CE2 4.19Å; F567-F651 HydrophobicContact CD1-CB 3.64Å; F567-F651 AromaticContact CD1-CD1 3.76Å; F567-F651 HydrophobicContact CD1-CD1 3.76Å; F567-F651 HydrophobicContact CD1-CG 4.09Å; F567-F651 AromaticContact CD2-CD1 3.94Å; F567-F651 HydrophobicContact CD2-CD1 3.94Å; F567-F651 HydrophobicContact CD2-CE1 4.46Å; F567-F651 HydrophobicContact CE1-CB 3.64Å; F567-F651 AromaticContact CE1-CD1 3.52Å; F567-F651 HydrophobicContact CE1-CD1 3.52Å; F567-F651 HydrophobicContact CE1-CE1 4.4Å; F567-F651 AromaticContact CE1-CG 3.78Å; F567-F651 HydrophobicContact CE1-CG 3.78Å; F567-F651 AromaticContact CE2-CD1 3.72Å; F567-F651 HydrophobicContact CE2-CD1 3.72Å; F567-F651 AromaticContact CE2-CE1 3.98Å; F567-F651 HydrophobicContact CE2-CE1 3.98Å; F567-F651 HydrophobicContact CG-CB 4.46Å; F567-F651 AromaticContact CG-CD1 3.96Å; F567-F651 HydrophobicContact CG-CD1 3.96Å; F567-F651 HydrophobicContact CZ-CB 4.47Å; F567-F651 AromaticContact CZ-CD1 3.5Å; F567-F651 HydrophobicContact CZ-CD1 3.5Å; F567-F651 AromaticContact CZ-CE1 3.94Å; F567-F651 HydrophobicContact CZ-CE1 3.94Å; F567-F651 HydrophobicContact CZ-CG 4.14Å
568	P	88.4	Confident	89.7	Confident	85 Å²	85	63.8 Å²	63.8	55%	0.552	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-31.2	177.5	-27.5	35.6	0	0	0	114.2	T570 P571 T649	P568-T570 VanDerWaalsContact C-N 3.25Å; P568-T570 PolarHBondContact O-N 2.77Å; P568-P571 WeakPolarHBondContact O-CD 3.45Å; P568-T649 WeakPolarHBondContact CD-O 3.48Å; P568-T649 HydrophobicContact CG-CG2 4.33Å
569	T	88.2	Confident	90	Very high	59 Å²	59	61.9 Å²	61.9	36%	0.362	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20	176	54.2	0	0	0	0	113.7	F567 F651	F567-T569 PolarHBondContact O-N 2.99Å; T569-F651 PolarHBondContact OG1-O 3.07Å
570	T	86.2	Confident	90.1	Very high	20 Å²	20	61.4 Å²	61.4	12%	0.123	33%	0.325	C	S	.	.	S	Bend	trans	-135.6	65.9	179	62.6	0	0	0	0	110.6	F567 P568 N572 L573	F567-T570 CarbonylContact O-C 3.54Å; F567-T570 VanDerWaalsContact O-C 3.23Å; F567-T570 PolarHBondContact O-N 3.41Å; P568-T570 VanDerWaalsContact C-N 3.25Å; P568-T570 PolarHBondContact O-N 2.77Å; T570-N572 VanDerWaalsContact C-N 3.27Å; T570-N572 PolarHBondContact O-N 2.95Å; T570-L573 CarbonylContact O-C 3.42Å; T570-L573 PolarHBondContact O-N 3.36Å; T570-L573 VanDerWaalsContact O-N 3.11Å; T570-L573 PolarHBondContact OG1-O 3.36Å
571	P	82.7	Confident	90.2	Very high	99 Å²	99	58.9 Å²	58.9	64%	0.643	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-32.4	-169.5	25.4	-33.3	0	0	0	112.9	P568	P568-P571 WeakPolarHBondContact O-CD 3.45Å
572	N	86.8	Confident	90.3	Very high	166 Å²	166	57.5 Å²	57.5	89%	0.888	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	2.8	-178.8	-61.5	-27.4	0	0	0	113.6	T570	T570-N572 VanDerWaalsContact C-N 3.27Å; T570-N572 PolarHBondContact O-N 2.95Å
573	L	88.3	Confident	90.3	Very high	78 Å²	78	53.5 Å²	53.5	41%	0.408	27%	0.274	S	S	.	.			trans	-138.7	108.4	-176.9	-176.6	65.5	0	0	0	110.8	T570 T656	T570-L573 CarbonylContact O-C 3.42Å; T570-L573 PolarHBondContact O-N 3.36Å; T570-L573 VanDerWaalsContact O-N 3.11Å; T570-L573 PolarHBondContact OG1-O 3.36Å; L573-T656 HydrophobicContact CD1-CG2 3.98Å; L573-T656 HydrophobicContact CD2-CG2 4.37Å; L573-T656 HydrophobicContact CG-CG2 4.22Å
574	R	89.7	Confident	90.3	Very high	142 Å²	142	52.1 Å²	52.1	54%	0.536	27%	0.266	S	S	.	.			trans	-67.9	133.8	170.5	-60.7	-171.3	-170.4	-171	4.3	109.4	A565 K566 T656	A565-R574 CarbonylContact O-C 3.53Å; A565-R574 WeakPolarHBondContact O-CA 3.32Å; K566-R574 HydrophobicContact CG-CG 4.03Å; R574-T656 WeakPolarHBondContact O-CG2 3.43Å
575	K	92.1	Very high	90.4	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	141.2	172	-61.9	-62.2	-168.9	170.3	0	109	K564 A565 F567 L577 H653 L655 T656 I658	K564-K575 CarbonylContact C-O 3.53Å; K564-K575 WeakPolarHBondContact CA-O 3.41Å; A565-K575 PolarHBondContact N-O 2.71Å; A565-K575 PolarHBondContact O-N 2.82Å; F567-K575 HydrophobicContact CD2-CB 4.04Å; F567-K575 HydrophobicContact CD2-CG 3.74Å; F567-K575 HydrophobicContact CE2-CB 3.91Å; F567-K575 HydrophobicContact CE2-CG 4.04Å; K575-L577 HydrophobicContact CB-CD2 4.21Å; K575-H653 PolarHBondContact NZ-O 2.64Å; K575-L655 PolarHBondContact NZ-O 3.46Å; K575-T656 WeakPolarHBondContact CA-O 3.09Å; K575-I658 HydrophobicContact CB-CD1 4.37Å; K575-I658 HydrophobicContact CD-CD1 4.34Å; K575-I658 HydrophobicContact CG-CD1 4.46Å
576	E	93.5	Very high	90.6	Very high	36 Å²	36	45 Å²	45	17%	0.168	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	107.5	175.2	-72.8	-174.2	172.3	0	0	108.8	V562 K564 T656 R657 I658	V562-E576 HydrophobicContact CG1-CB 4.01Å; V562-E576 HydrophobicContact CG1-CG 4.31Å; K564-E576 WeakPolarHBondContact CE-OE1 3.39Å; K564-E576 HydrophobicContact CG-CG 4.04Å; E576-T656 PolarHBondContact N-O 2.69Å; E576-R657 HydrophobicContact CB-CG 3.83Å; E576-R657 CarbonylContact O-C 3.52Å; E576-R657 WeakPolarHBondContact O-CA 3.43Å; E576-R657 WeakPolarHBondContact OE2-CG 3.32Å; E576-R657 IonicContact OE2-CZ 3.73Å; E576-R657 IonicContact OE2-NE 3.27Å; E576-R657 PolarHBondContact OE2-NE 3.31Å; E576-R657 IonicContact OE2-NH2 2.74Å; E576-R657 PolarHBondContact OE2-NH2 3.4Å; E576-R657 VanDerWaalsContact OE2-NH2 3.17Å; E576-I658 PolarHBondContact O-N 3.3Å
577	L	93	Very high	90.8	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	110.5	179.9	-45	180	0	0	0	108.4	V562 V563 A565 F567 K575 V579 L587 V629 I658 F660	V562-L577 CarbonylContact C-O 3.49Å; V562-L577 WeakPolarHBondContact CA-O 3.49Å; V563-L577 HydrophobicContact CB-CB 4.35Å; V563-L577 PolarHBondContact N-O 3.29Å; V563-L577 PolarHBondContact O-N 2.9Å; A565-L577 HydrophobicContact CB-CD1 3.77Å; A565-L577 HydrophobicContact CB-CG 4.11Å; F567-L577 HydrophobicContact CE2-CD2 4.34Å; F567-L577 HydrophobicContact CZ-CD1 4.4Å; K575-L577 HydrophobicContact CB-CD2 4.21Å; L577-V579 HydrophobicContact CB-CG1 3.95Å; L577-V579 PolarHBondContact O-N 3.43Å; L577-L587 HydrophobicContact CD1-CD1 4.09Å; L577-V629 HydrophobicContact CD1-CG1 4.36Å; L577-I658 CarbonylContact C-O 3.23Å; L577-I658 HydrophobicContact CD2-CB 4.3Å; L577-I658 HydrophobicContact CD2-CD1 4.08Å; L577-F660 HydrophobicContact CB-CD2 4.4Å; L577-F660 HydrophobicContact CB-CE2 4.11Å; L577-F660 HydrophobicContact CD2-CE2 3.76Å; L577-F660 HydrophobicContact CD2-CZ 4.25Å; L577-F660 HydrophobicContact CG-CE2 4.39Å
578	Q	90.2	Very high	91	Very high	68 Å²	68	41.6 Å²	41.6	32%	0.318	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	104.5	169.9	-65.2	-173.7	-14.8	0	0	108.6	V562 I658 K659 F660	V562-Q578 HydrophobicContact CG2-CG 4.33Å; Q578-I658 PolarHBondContact N-O 3.1Å; Q578-K659 HydrophobicContact CB-CB 4.33Å; Q578-K659 HydrophobicContact CB-CG 4.22Å; Q578-F660 PolarHBondContact O-N 3.11Å
579	V	91.5	Very high	91.2	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	162	-171.2	-66.7	0	0	0	0	110.6	T560 C561 V563 L577 Q583 A584 L587 F660 N661	T560-V579 WeakPolarHBondContact CA-O 3.22Å; C561-V579 HydrophobicContact CB-CG2 4.11Å; C561-V579 PolarHBondContact N-O 2.76Å; C561-V579 PolarHBondContact O-N 2.91Å; V563-V579 HydrophobicContact CG2-CG2 3.71Å; L577-V579 HydrophobicContact CB-CG1 3.95Å; L577-V579 PolarHBondContact O-N 3.43Å; V579-Q583 HydrophobicContact CB-CB 3.75Å; V579-Q583 VanDerWaalsContact CB-OE1 3.24Å; V579-Q583 HydrophobicContact CG1-CB 4.31Å; V579-Q583 HydrophobicContact CG2-CB 4.49Å; V579-A584 HydrophobicContact CG2-CB 3.85Å; V579-L587 HydrophobicContact CG1-CD1 4.04Å; V579-F660 HydrophobicContact CG1-CB 4.15Å; V579-F660 HydrophobicContact CG1-CD2 3.94Å; V579-F660 HydrophobicContact CG1-CG 4.23Å; V579-N661 WeakPolarHBondContact CA-OD1 3.35Å; V579-N661 PolarHBondContact O-ND2 2.94Å
580	S	90.3	Very high	91.5	Very high	7 Å²	7	37 Å²	37	5%	0.049	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	160.7	164.4	60.3	0	0	0	0	109.8	G559 L582 Q583 A584 N661 Q664	G559-S580 WeakPolarHBondContact O-CA 3.31Å; S580-L582 PolarHBondContact O-N 2.79Å; S580-Q583 WeakPolarHBondContact O-CB 3.45Å; S580-Q583 PolarHBondContact O-N 3.28Å; S580-Q583 VanDerWaalsContact OG-CG 3.26Å; S580-Q583 WeakPolarHBondContact OG-CG 3.15Å; S580-Q583 PolarHBondContact OG-N 2.89Å; S580-A584 PolarHBondContact O-N 2.66Å; S580-N661 PolarHBondContact N-ND2 3.48Å; S580-N661 PolarHBondContact N-OD1 3.16Å; S580-Q664 VanDerWaalsContact CB-OE1 3.25Å; S580-Q664 PolarHBondContact OG-OE1 3.24Å
581	E	91.6	Very high	91.6	Very high	20 Å²	20	42 Å²	42	9%	0.093	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-39.9	177.6	-175.4	170	-148.6	0	0	110.8	Y528 M532 R536 P556 G559 Q583 A584 L585	Y528-E581 HydrophobicContact CE1-CG 4.1Å; Y528-E581 VanDerWaalsContact CE1-OE1 3.26Å; Y528-E581 WeakPolarHBondContact CE1-OE1 3.36Å; M532-E581 HydrophobicContact CE-CG 4.37Å; M532-E581 WeakPolarHBondContact CE-OE1 3.46Å; R536-E581 IonicContact CZ-OE1 3.17Å; R536-E581 VanDerWaalsContact NH2-CD 3.29Å; R536-E581 IonicContact NH2-OE1 3.71Å; R536-E581 PolarHBondContact NH2-OE1 3.17Å; R536-E581 IonicContact NH2-OE2 2.68Å; R536-E581 PolarHBondContact NH2-OE2 2.71Å; P556-E581 WeakPolarHBondContact CA-OE2 3.25Å; G559-E581 PolarHBondContact O-N 2.81Å; E581-Q583 PolarHBondContact O-N 3.1Å; E581-A584 WeakPolarHBondContact O-CB 3.38Å; E581-A584 PolarHBondContact O-N 3.21Å; E581-A584 VanDerWaalsContact O-N 3.1Å; E581-L585 WeakPolarHBondContact O-CG 3.44Å; E581-L585 PolarHBondContact O-N 3.32Å
582	L	92.9	Very high	91.4	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-44.1	174.1	-59.2	-173.6	0	0	0	112.9	T524 A526 P556 S580 A584 L585 V586 I609 E613 T617	T524-L582 HydrophobicContact CG2-CD2 4.49Å; A526-L582 HydrophobicContact CB-CD2 4.18Å; P556-L582 HydrophobicContact CB-CD2 3.75Å; S580-L582 PolarHBondContact O-N 2.79Å; L582-A584 VanDerWaalsContact C-N 3.33Å; L582-A584 PolarHBondContact O-N 3.35Å; L582-L585 PolarHBondContact O-N 3.28Å; L582-V586 WeakPolarHBondContact O-CG2 3.5Å; L582-V586 PolarHBondContact O-N 3.15Å; L582-V586 VanDerWaalsContact O-N 3.09Å; L582-I609 HydrophobicContact CB-CD1 4.06Å; L582-I609 HydrophobicContact CD1-CG2 4.4Å; L582-I609 HydrophobicContact CD2-CD1 4.01Å; L582-I609 HydrophobicContact CD2-CG1 4.08Å; L582-E613 HydrophobicContact CD1-CG 3.35Å; L582-T617 HydrophobicContact CB-CG2 4.46Å
583	Q	93.4	Very high	90.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-39.6	173.7	-77	172.3	-14.1	0	0	111.8	V579 S580 E581 V586 L587 T617 S620 L621 F660 N661	V579-Q583 HydrophobicContact CB-CB 3.75Å; V579-Q583 VanDerWaalsContact CB-OE1 3.24Å; V579-Q583 HydrophobicContact CG1-CB 4.31Å; V579-Q583 HydrophobicContact CG2-CB 4.49Å; S580-Q583 WeakPolarHBondContact O-CB 3.45Å; S580-Q583 PolarHBondContact O-N 3.28Å; S580-Q583 VanDerWaalsContact OG-CG 3.26Å; S580-Q583 WeakPolarHBondContact OG-CG 3.15Å; S580-Q583 PolarHBondContact OG-N 2.89Å; E581-Q583 PolarHBondContact O-N 3.1Å; Q583-V586 PolarHBondContact O-N 3.3Å; Q583-L587 VanDerWaalsContact O-CG 3.28Å; Q583-L587 WeakPolarHBondContact O-CG 3.29Å; Q583-L587 PolarHBondContact O-N 3.39Å; Q583-T617 HydrophobicContact CB-CG2 4.21Å; Q583-T617 HydrophobicContact CG-CG2 3.67Å; Q583-S620 PolarHBondContact NE2-OG 3.2Å; Q583-L621 HydrophobicContact CB-CD1 4.25Å; Q583-L621 HydrophobicContact CB-CD2 4.26Å; Q583-L621 HydrophobicContact CG-CD1 4.25Å; Q583-L621 HydrophobicContact CG-CD2 4.12Å; Q583-L621 HydrophobicContact CG-CG 4.17Å; Q583-F660 PolarHBondContact NE2-O 2.92Å; Q583-N661 PolarHBondContact OE1-OD1 2.87Å
584	A	94.3	Very high	89.7	Confident	3 Å²	3	43.5 Å²	43.5	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-44.4	176.3	0	0	0	0	0	111.3	C561 V563 V579 S580 E581 L582 V586 L587 L588	C561-A584 HydrophobicContact CB-CB 3.75Å; V563-A584 HydrophobicContact CG2-CB 3.92Å; V579-A584 HydrophobicContact CG2-CB 3.85Å; S580-A584 PolarHBondContact O-N 2.66Å; E581-A584 WeakPolarHBondContact O-CB 3.38Å; E581-A584 PolarHBondContact O-N 3.21Å; E581-A584 VanDerWaalsContact O-N 3.1Å; L582-A584 VanDerWaalsContact C-N 3.33Å; L582-A584 PolarHBondContact O-N 3.35Å; A584-V586 VanDerWaalsContact C-N 3.31Å; A584-V586 PolarHBondContact O-N 3.36Å; A584-L587 PolarHBondContact O-N 3.41Å; A584-L587 VanDerWaalsContact O-N 3.15Å; A584-L588 VanDerWaalsContact O-CG 3.24Å; A584-L588 WeakPolarHBondContact O-CG 3.48Å; A584-L588 PolarHBondContact O-N 2.65Å
585	L	95	Very high	89.1	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-40.7	176.6	-66.9	178.2	0	0	0	112.4	A526 Y528 M532 E581 L582 T607	A526-L585 HydrophobicContact CB-CD1 3.5Å; A526-L585 VanDerWaalsContact CB-CD1 3.5Å; Y528-L585 HydrophobicContact CD1-CD1 4.25Å; Y528-L585 HydrophobicContact CD1-CD2 3.77Å; Y528-L585 HydrophobicContact CE1-CD1 3.81Å; Y528-L585 HydrophobicContact CE1-CD2 4.04Å; Y528-L585 HydrophobicContact CE1-CG 4.36Å; M532-L585 HydrophobicContact SD-CD2 4.22Å; E581-L585 WeakPolarHBondContact O-CG 3.44Å; E581-L585 PolarHBondContact O-N 3.32Å; L582-L585 PolarHBondContact O-N 3.28Å; L585-T607 HydrophobicContact CB-CG2 4.5Å
586	V	95.1	Very high	88.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-46	173.4	171	0	0	0	0	111.2	L582 Q583 A584 L588 Q589 F590 I603 T607 I609 L614 T617 L618 L621 L630	L582-V586 WeakPolarHBondContact O-CG2 3.5Å; L582-V586 PolarHBondContact O-N 3.15Å; L582-V586 VanDerWaalsContact O-N 3.09Å; Q583-V586 PolarHBondContact O-N 3.3Å; A584-V586 VanDerWaalsContact C-N 3.31Å; A584-V586 PolarHBondContact O-N 3.36Å; V586-L588 VanDerWaalsContact C-N 3.3Å; V586-L588 PolarHBondContact O-N 2.92Å; V586-Q589 WeakPolarHBondContact O-CB 3.48Å; V586-Q589 PolarHBondContact O-N 3.42Å; V586-F590 HydrophobicContact CG1-CE2 4.34Å; V586-F590 WeakPolarHBondContact O-CD2 3.27Å; V586-F590 WeakPolarHBondContact O-CE2 3.37Å; V586-I603 HydrophobicContact CG1-CG2 4.31Å; V586-I603 HydrophobicContact CG2-CG2 4.1Å; V586-T607 HydrophobicContact CG2-CG2 4.36Å; V586-I609 HydrophobicContact CG2-CD1 4.14Å; V586-L614 HydrophobicContact CG2-CD1 3.79Å; V586-T617 HydrophobicContact CB-CG2 4.4Å; V586-T617 HydrophobicContact CG2-CG2 3.81Å; V586-L618 HydrophobicContact CG1-CD2 3.69Å; V586-L621 HydrophobicContact CB-CD1 4.24Å; V586-L621 HydrophobicContact CG1-CD1 3.9Å; V586-L630 HydrophobicContact CG1-CD1 4.22Å
587	L	94.7	Very high	88.9	Confident	20 Å²	20	44 Å²	44	11%	0.105	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-36.6	179.9	-72.2	172.3	0	0	0	112.5	L577 V579 Q583 A584 Q589 F590 L621 V629 L630	L577-L587 HydrophobicContact CD1-CD1 4.09Å; V579-L587 HydrophobicContact CG1-CD1 4.04Å; Q583-L587 VanDerWaalsContact O-CG 3.28Å; Q583-L587 WeakPolarHBondContact O-CG 3.29Å; Q583-L587 PolarHBondContact O-N 3.39Å; A584-L587 PolarHBondContact O-N 3.41Å; A584-L587 VanDerWaalsContact O-N 3.15Å; L587-Q589 PolarHBondContact O-N 2.98Å; L587-F590 PolarHBondContact O-N 3.46Å; L587-F590 VanDerWaalsContact O-N 3.17Å; L587-L621 HydrophobicContact CD1-CD2 4.37Å; L587-L621 HydrophobicContact CD2-CD1 4.19Å; L587-L621 HydrophobicContact CD2-CD2 4.41Å; L587-L621 HydrophobicContact CG-CD1 4.14Å; L587-L621 HydrophobicContact CG-CD2 4.46Å; L587-V629 HydrophobicContact CD2-CG2 3.89Å; L587-L630 HydrophobicContact CD2-CD2 4.44Å
588	L	93.5	Very high	89	Confident	53 Å²	53	44.9 Å²	44.9	28%	0.277	24%	0.243	S	C	.	.	H	α-helix	trans	-65.8	-22	179.4	-70.5	171.4	0	0	0	113.2	P529 M532 A584 V586 F590 N591	P529-L588 HydrophobicContact CG-CD1 3.85Å; M532-L588 HydrophobicContact SD-CD1 4.49Å; A584-L588 VanDerWaalsContact O-CG 3.24Å; A584-L588 WeakPolarHBondContact O-CG 3.48Å; A584-L588 PolarHBondContact O-N 2.65Å; V586-L588 VanDerWaalsContact C-N 3.3Å; V586-L588 PolarHBondContact O-N 2.92Å; L588-F590 PolarHBondContact O-N 3.18Å; L588-N591 WeakPolarHBondContact CD2-ND2 3.31Å; L588-N591 PolarHBondContact O-N 2.86Å
589	Q	93.3	Very high	89.2	Confident	32 Å²	32	43.5 Å²	43.5	15%	0.15	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-61.3	-27.6	174.3	-60.7	-55.5	-54.2	0	0	112.4	V586 L587 N591 I598 N606 T607	V586-Q589 WeakPolarHBondContact O-CB 3.48Å; V586-Q589 PolarHBondContact O-N 3.42Å; L587-Q589 PolarHBondContact O-N 2.98Å; Q589-N591 VanDerWaalsContact C-N 3.29Å; Q589-N591 PolarHBondContact O-N 3.49Å; Q589-I598 HydrophobicContact CB-CD1 4.16Å; Q589-I598 WeakPolarHBondContact O-CD1 3.26Å; Q589-N606 PolarHBondContact OE1-ND2 2.91Å; Q589-T607 HydrophobicContact CG-CG2 3.94Å
590	F	92.9	Very high	89.4	Confident	16 Å²	16	43.9 Å²	43.9	7%	0.07	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-85.3	2.9	-177	-63.3	-85.7	0	0	0	113.8	V586 L587 L588 I598 I603 L630 F645 F647	V586-F590 HydrophobicContact CG1-CE2 4.34Å; V586-F590 WeakPolarHBondContact O-CD2 3.27Å; V586-F590 WeakPolarHBondContact O-CE2 3.37Å; L587-F590 PolarHBondContact O-N 3.46Å; L587-F590 VanDerWaalsContact O-N 3.17Å; L588-F590 PolarHBondContact O-N 3.18Å; F590-I598 HydrophobicContact CD1-CD1 3.7Å; F590-I598 HydrophobicContact CD1-CG1 4.19Å; F590-I598 HydrophobicContact CE1-CB 4.16Å; F590-I598 HydrophobicContact CE1-CD1 3.7Å; F590-I598 HydrophobicContact CE1-CG1 3.87Å; F590-I598 HydrophobicContact CG-CD1 4.19Å; F590-I598 HydrophobicContact CZ-CB 4.46Å; F590-I598 HydrophobicContact CZ-CD1 4.2Å; F590-I603 HydrophobicContact CE2-CD1 4.43Å; F590-I603 HydrophobicContact CZ-CD1 4.03Å; F590-L630 HydrophobicContact CD1-CD2 4.31Å; F590-L630 HydrophobicContact CD2-CD2 3.77Å; F590-L630 HydrophobicContact CE1-CD2 4.14Å; F590-L630 HydrophobicContact CE2-CD1 3.76Å; F590-L630 HydrophobicContact CE2-CD2 3.57Å; F590-L630 HydrophobicContact CE2-CG 4.33Å; F590-L630 HydrophobicContact CG-CD2 4.14Å; F590-L630 HydrophobicContact CZ-CD1 4.06Å; F590-L630 HydrophobicContact CZ-CD2 3.77Å; F590-F645 HydrophobicContact CE1-CB 4.27Å; F590-F645 WeakPolarHBondContact CE1-O 3.33Å; F590-F645 HydrophobicContact CZ-CB 3.8Å; F590-F647 HydrophobicContact CB-CB 4.47Å; F590-F647 HydrophobicContact CD1-CB 4.44Å
591	N	89.3	Confident	89.7	Confident	126 Å²	126	46 Å²	46	67%	0.674	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-83.6	-19.4	176.7	-73.1	-19	0	0	0	113.7	L588 Q589	L588-N591 WeakPolarHBondContact CD2-ND2 3.31Å; L588-N591 PolarHBondContact O-N 2.86Å; Q589-N591 VanDerWaalsContact C-N 3.29Å; Q589-N591 PolarHBondContact O-N 3.49Å
592	Q	77.7	Confident	89.9	Confident	174 Å²	174	47.5 Å²	47.5	81%	0.813	26%	0.264	S	S	*	.	S	Bend	trans	-91.4	-23.2	-174.4	-64.9	-177.2	1.3	0	0	113.5
593	S	65.4	Low	90	Very high	33 Å²	33	47.4 Å²	47.4	23%	0.231	26%	0.264	C	S	.	.	S	Bend	trans	-101.9	136.7	-172.5	46	0	0	0	0	111.3	N595	S593-N595 PolarHBondContact O-N 3.02Å
594	D	74.8	Confident	90.1	Very high	167 Å²	167	48.6 Å²	48.6	89%	0.893	27%	0.274	S	S	*	.	S	Bend	trans	-64.9	59.3	172.4	-75.2	-31.9	0	0	0	112.2	A596	D594-A596 PolarHBondContact O-N 3.09Å; D594-A596 VanDerWaalsContact O-N 3.09Å
595	N	77.4	Confident	90.1	Very high	79 Å²	79	54.7 Å²	54.7	42%	0.422	30%	0.302	S	S	.	.	S	Bend	trans	52.2	23.6	-170	-65	-46	0	0	0	114.6	S593 I646 F647	S593-N595 PolarHBondContact O-N 3.02Å; N595-I646 WeakPolarHBondContact O-CD1 3.26Å; N595-I646 WeakPolarHBondContact O-CG1 3.3Å; N595-F647 WeakPolarHBondContact OD1-CD1 3.15Å
596	A	88	Confident	90.1	Very high	48 Å²	48	58.2 Å²	58.2	40%	0.397	32%	0.32	S	S	.	.			trans	-66.2	142	174.8	0	0	0	0	0	110.9	D594	D594-A596 PolarHBondContact O-N 3.09Å; D594-A596 VanDerWaalsContact O-N 3.09Å
597	P	92.2	Very high	90.1	Very high	70 Å²	70	58.2 Å²	58.2	46%	0.455	32%	0.32	S	S	.	.			trans	-62.3	135.2	172.4	-19.4	30.6	0	0	0	111.8	Q644 F645 I646	P597-Q644 HydrophobicContact CB-CB 4.05Å; P597-Q644 HydrophobicContact CB-CG 4.38Å; P597-F645 CarbonylContact C-O 3.56Å; P597-F645 WeakPolarHBondContact CA-O 3.48Å; P597-I646 HydrophobicContact CG-CD1 4.35Å
598	I	94.9	Very high	90.1	Very high	21 Å²	21	58.5 Å²	58.5	11%	0.108	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.8	175.6	-49	-179.8	0	0	0	108.4	Q589 F590 T602 I603 Q644 F645	Q589-I598 HydrophobicContact CB-CD1 4.16Å; Q589-I598 WeakPolarHBondContact O-CD1 3.26Å; F590-I598 HydrophobicContact CD1-CD1 3.7Å; F590-I598 HydrophobicContact CD1-CG1 4.19Å; F590-I598 HydrophobicContact CE1-CB 4.16Å; F590-I598 HydrophobicContact CE1-CD1 3.7Å; F590-I598 HydrophobicContact CE1-CG1 3.87Å; F590-I598 HydrophobicContact CG-CD1 4.19Å; F590-I598 HydrophobicContact CZ-CB 4.46Å; F590-I598 HydrophobicContact CZ-CD1 4.2Å; I598-T602 HydrophobicContact CG2-CG2 3.88Å; I598-I603 HydrophobicContact CB-CD1 4.42Å; I598-I603 HydrophobicContact CB-CG1 4.29Å; I598-I603 HydrophobicContact CG2-CD1 4.27Å; I598-I603 HydrophobicContact CG2-CG1 3.63Å; I598-Q644 WeakPolarHBondContact O-CA 3.39Å; I598-F645 PolarHBondContact N-O 2.81Å; I598-F645 PolarHBondContact O-N 3.37Å
599	T	95.1	Very high	90.1	Very high	38 Å²	38	56.3 Å²	56.3	23%	0.233	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	155.5	178	71.6	0	0	0	0	111.6	T601 T602 I603 H643 Q644	T599-T601 PolarHBondContact O-N 3.13Å; T599-T602 PolarHBondContact O-N 3.12Å; T599-T602 PolarHBondContact OG1-N 3.28Å; T599-T602 PolarHBondContact OG1-OG1 2.6Å; T599-I603 WeakPolarHBondContact O-CG1 3.32Å; T599-I603 PolarHBondContact O-N 2.76Å; T599-I603 VanDerWaalsContact O-N 3.11Å; T599-H643 CarbonylContact C-O 3.5Å; T599-H643 WeakPolarHBondContact CA-O 3.02Å; T599-Q644 HydrophobicContact CG2-CG 4.12Å
600	Y	96.3	Very high	90.1	Very high	10 Å²	10	60 Å²	60	4%	0.039	33%	0.333	C	S	.	.	H	α-helix	trans	-50.6	-46.3	170.2	170.8	-91.4	0	0	0	111.8	T602 I603 A604 E611 L614 K615 L618 I639 E640 N641 H643	Y600-T602 VanDerWaalsContact C-N 3.34Å; Y600-T602 PolarHBondContact O-N 3.41Å; Y600-I603 PolarHBondContact O-N 3.22Å; Y600-I603 VanDerWaalsContact O-N 3.15Å; Y600-A604 HydrophobicContact CE1-CB 4.34Å; Y600-A604 WeakPolarHBondContact O-CB 3.16Å; Y600-A604 PolarHBondContact O-N 3.04Å; Y600-E611 WeakPolarHBondContact OH-CA 3.32Å; Y600-E611 WeakPolarHBondContact OH-CG 3.43Å; Y600-L614 HydrophobicContact CD2-CD2 4.26Å; Y600-L614 HydrophobicContact CE2-CB 4.47Å; Y600-L614 HydrophobicContact CE2-CD2 3.66Å; Y600-L614 HydrophobicContact CE2-CG 3.87Å; Y600-K615 HydrophobicContact CE2-CG 3.83Å; Y600-L618 HydrophobicContact CD2-CD1 3.65Å; Y600-L618 HydrophobicContact CE2-CD1 4.11Å; Y600-I639 HydrophobicContact CD2-CG2 3.32Å; Y600-I639 HydrophobicContact CE2-CG2 3.76Å; Y600-I639 HydrophobicContact CG-CG2 3.91Å; Y600-E640 WeakPolarHBondContact CB-O 3.48Å; Y600-N641 WeakPolarHBondContact CE1-OD1 3.38Å; Y600-H643 PolarHBondContact N-O 2.83Å
601	T	95.9	Very high	90	Very high	51 Å²	51	64.1 Å²	64.1	31%	0.313	35%	0.353	S	S	.	.	H	α-helix	trans	-57.2	-47.3	-178.4	-54.4	0	0	0	0	111.3	T599 I603 A604 E605 N641	T599-T601 PolarHBondContact O-N 3.13Å; T601-I603 PolarHBondContact O-N 3.43Å; T601-A604 WeakPolarHBondContact O-CB 3.28Å; T601-A604 PolarHBondContact O-N 3.25Å; T601-E605 WeakPolarHBondContact O-CG 3.41Å; T601-E605 PolarHBondContact O-N 3.24Å; T601-N641 PolarHBondContact N-O 2.87Å; T601-N641 PolarHBondContact OG1-O 3.15Å
602	T	95	Very high	89.9	Confident	52 Å²	52	63.8 Å²	63.8	32%	0.319	35%	0.345	S	S	.	.	H	α-helix	trans	-63.7	-40.3	177.7	-50.5	0	0	0	0	112.3	I598 T599 Y600 A604 N606	I598-T602 HydrophobicContact CG2-CG2 3.88Å; T599-T602 PolarHBondContact O-N 3.12Å; T599-T602 PolarHBondContact OG1-N 3.28Å; T599-T602 PolarHBondContact OG1-OG1 2.6Å; Y600-T602 VanDerWaalsContact C-N 3.34Å; Y600-T602 PolarHBondContact O-N 3.41Å; T602-A604 VanDerWaalsContact C-N 3.33Å; T602-N606 WeakPolarHBondContact O-CB 3.35Å; T602-N606 VanDerWaalsContact O-CG 3.25Å; T602-N606 PolarHBondContact O-N 3.31Å
603	I	95.5	Very high	90.4	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-41.5	176.7	-61.3	171.5	0	0	0	110.1	V586 F590 I598 T599 Y600 T601 T607 L614 L618 F645	V586-I603 HydrophobicContact CG1-CG2 4.31Å; V586-I603 HydrophobicContact CG2-CG2 4.1Å; F590-I603 HydrophobicContact CE2-CD1 4.43Å; F590-I603 HydrophobicContact CZ-CD1 4.03Å; I598-I603 HydrophobicContact CB-CD1 4.42Å; I598-I603 HydrophobicContact CB-CG1 4.29Å; I598-I603 HydrophobicContact CG2-CD1 4.27Å; I598-I603 HydrophobicContact CG2-CG1 3.63Å; T599-I603 WeakPolarHBondContact O-CG1 3.32Å; T599-I603 PolarHBondContact O-N 2.76Å; T599-I603 VanDerWaalsContact O-N 3.11Å; Y600-I603 PolarHBondContact O-N 3.22Å; Y600-I603 VanDerWaalsContact O-N 3.15Å; T601-I603 PolarHBondContact O-N 3.43Å; I603-T607 HydrophobicContact CG2-CG2 4.08Å; I603-T607 WeakPolarHBondContact O-CB 3.36Å; I603-T607 WeakPolarHBondContact O-CG2 3.49Å; I603-T607 PolarHBondContact O-N 3.49Å; I603-T607 PolarHBondContact O-OG1 2.86Å; I603-L614 HydrophobicContact CG2-CD1 3.89Å; I603-L614 HydrophobicContact CG2-CD2 4.48Å; I603-L618 HydrophobicContact CD1-CD2 3.94Å; I603-F645 HydrophobicContact CD1-CB 4.23Å; I603-F645 HydrophobicContact CD1-CD2 4.04Å; I603-F645 HydrophobicContact CD1-CG 4.33Å
604	A	95.7	Very high	91.7	Very high	25 Å²	25	55.4 Å²	55.4	21%	0.207	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-48.7	178.3	0	0	0	0	0	111.9	Y600 T601 T602 G608 L614	Y600-A604 HydrophobicContact CE1-CB 4.34Å; Y600-A604 WeakPolarHBondContact O-CB 3.16Å; Y600-A604 PolarHBondContact O-N 3.04Å; T601-A604 WeakPolarHBondContact O-CB 3.28Å; T601-A604 PolarHBondContact O-N 3.25Å; T602-A604 VanDerWaalsContact C-N 3.33Å; A604-G608 WeakPolarHBondContact O-CA 3.45Å; A604-G608 PolarHBondContact O-N 3.39Å; A604-L614 VanDerWaalsContact CA-CD2 3.45Å; A604-L614 HydrophobicContact CB-CD2 3.51Å
605	E	95	Very high	92.5	Very high	131 Å²	131	50 Å²	50	61%	0.612	27%	0.272	S	S	*	.	H	α-helix	trans	-60.6	-48.7	177.2	-71.7	171.2	176.8	0	0	111.7	N527 T601 T607	N527-E605 PolarHBondContact ND2-O 2.81Å; T601-E605 WeakPolarHBondContact O-CG 3.41Å; T601-E605 PolarHBondContact O-N 3.24Å; E605-T607 PolarHBondContact O-N 3.47Å
606	N	94.6	Very high	93	Very high	77 Å²	77	49.4 Å²	49.4	41%	0.412	26%	0.263	S	S	.	.	H	α-helix	trans	-70.3	-36.3	-175.3	-71.8	-4.4	0	0	0	113	N527 Q589 T602	N527-N606 WeakPolarHBondContact CB-O 3.43Å; N527-N606 PolarHBondContact ND2-O 3.5Å; Q589-N606 PolarHBondContact OE1-ND2 2.91Å; T602-N606 WeakPolarHBondContact O-CB 3.35Å; T602-N606 VanDerWaalsContact O-CG 3.25Å; T602-N606 PolarHBondContact O-N 3.31Å
607	T	95.1	Very high	93.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-91.6	-20.9	-177.1	63.8	0	0	0	0	113.3	A526 N527 L585 V586 Q589 I603 E605 I609	A526-T607 CarbonylContact C-O 3.59Å; A526-T607 WeakPolarHBondContact CA-O 3.32Å; N527-T607 PolarHBondContact N-O 2.78Å; L585-T607 HydrophobicContact CB-CG2 4.5Å; V586-T607 HydrophobicContact CG2-CG2 4.36Å; Q589-T607 HydrophobicContact CG-CG2 3.94Å; I603-T607 HydrophobicContact CG2-CG2 4.08Å; I603-T607 WeakPolarHBondContact O-CB 3.36Å; I603-T607 WeakPolarHBondContact O-CG2 3.49Å; I603-T607 PolarHBondContact O-N 3.49Å; I603-T607 PolarHBondContact O-OG1 2.86Å; E605-T607 PolarHBondContact O-N 3.47Å; T607-I609 HydrophobicContact CG2-CD1 4.38Å; T607-I609 PolarHBondContact O-N 3.01Å
608	G	94.6	Very high	93.2	Very high	25 Å²	25	43.8 Å²	43.8	26%	0.258	22%	0.223	S	C	.	.			trans	63.5	16.2	-178.3	0	0	0	0	0	114.4	A604	A604-G608 WeakPolarHBondContact O-CA 3.45Å; A604-G608 PolarHBondContact O-N 3.39Å
609	I	93.8	Very high	92.9	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.041	23%	0.23	C	C	.	.			trans	-79.3	135.8	-178.3	-59	170.8	0	0	0	109.1	A526 L582 V586 T607 E613 L614	A526-I609 HydrophobicContact CB-CG1 4.37Å; L582-I609 HydrophobicContact CB-CD1 4.06Å; L582-I609 HydrophobicContact CD1-CG2 4.4Å; L582-I609 HydrophobicContact CD2-CD1 4.01Å; L582-I609 HydrophobicContact CD2-CG1 4.08Å; V586-I609 HydrophobicContact CG2-CD1 4.14Å; T607-I609 HydrophobicContact CG2-CD1 4.38Å; T607-I609 PolarHBondContact O-N 3.01Å; I609-E613 HydrophobicContact CG2-CB 3.98Å; I609-E613 HydrophobicContact CG2-CG 4.15Å; I609-L614 HydrophobicContact CB-CB 4.13Å; I609-L614 HydrophobicContact CB-CD1 4.43Å; I609-L614 HydrophobicContact CD1-CD1 4.36Å; I609-L614 HydrophobicContact CG2-CB 3.85Å
610	E	92.4	Very high	92.6	Very high	108 Å²	108	43.7 Å²	43.7	51%	0.505	22%	0.221	S	C	.	.			trans	-57.4	143.6	176.4	-177.2	-82.1	141.9	0	0	111.8	K612 E613 L614	E610-K612 VanDerWaalsContact CD-N 3.27Å; E610-K612 PolarHBondContact O-N 2.77Å; E610-K612 VanDerWaalsContact OE1-CB 3.31Å; E610-K612 WeakPolarHBondContact OE1-CB 3.26Å; E610-K612 PolarHBondContact OE1-N 3.46Å; E610-K612 WeakPolarHBondContact OE2-CB 3.48Å; E610-K612 PolarHBondContact OE2-N 3.1Å; E610-E613 PolarHBondContact O-N 2.88Å; E610-E613 VanDerWaalsContact O-N 3.15Å; E610-E613 PolarHBondContact OE2-N 3.17Å; E610-L614 WeakPolarHBondContact O-CB 3.48Å; E610-L614 PolarHBondContact O-N 3.31Å
611	E	91.6	Very high	92.4	Very high	103 Å²	103	43.2 Å²	43.2	48%	0.481	22%	0.22	S	C	.	.	H	α-helix	trans	-53.9	-49.3	-169	164.8	169.2	-172.8	0	0	113.9	Y600 E613 L614 K615	Y600-E611 WeakPolarHBondContact OH-CA 3.32Å; Y600-E611 WeakPolarHBondContact OH-CG 3.43Å; E611-E613 VanDerWaalsContact C-N 3.33Å; E611-E613 PolarHBondContact O-N 3.18Å; E611-L614 PolarHBondContact O-N 3.05Å; E611-K615 HydrophobicContact CG-CD 4.04Å; E611-K615 WeakPolarHBondContact O-CB 3.42Å; E611-K615 VanDerWaalsContact O-CG 3.28Å; E611-K615 WeakPolarHBondContact O-CG 3.31Å; E611-K615 PolarHBondContact O-N 2.95Å; E611-K615 WeakPolarHBondContact OE1-CE 3.09Å; E611-K615 IonicContact OE1-NZ 2.7Å; E611-K615 PolarHBondContact OE1-NZ 3.49Å
612	K	87.3	Confident	92.1	Very high	119 Å²	119	41.1 Å²	41.1	52%	0.517	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-43.6	-179.1	-174.5	-175.7	-179.7	-176.9	0	110.6	E610 R616	E610-K612 VanDerWaalsContact CD-N 3.27Å; E610-K612 PolarHBondContact O-N 2.77Å; E610-K612 VanDerWaalsContact OE1-CB 3.31Å; E610-K612 WeakPolarHBondContact OE1-CB 3.26Å; E610-K612 PolarHBondContact OE1-N 3.46Å; E610-K612 WeakPolarHBondContact OE2-CB 3.48Å; E610-K612 PolarHBondContact OE2-N 3.1Å; K612-R616 WeakPolarHBondContact O-CB 3.31Å; K612-R616 PolarHBondContact O-N 2.71Å
613	E	87.7	Confident	91.5	Very high	31 Å²	31	40.4 Å²	40.4	15%	0.145	21%	0.207	C	C	.	.	H	α-helix	trans	-68.9	-39.3	178.3	-167.2	57.2	-137.8	0	0	112.7	L582 I609 E610 E611 R616 T617 Q664	L582-E613 HydrophobicContact CD1-CG 3.35Å; I609-E613 HydrophobicContact CG2-CB 3.98Å; I609-E613 HydrophobicContact CG2-CG 4.15Å; E610-E613 PolarHBondContact O-N 2.88Å; E610-E613 VanDerWaalsContact O-N 3.15Å; E610-E613 PolarHBondContact OE2-N 3.17Å; E611-E613 VanDerWaalsContact C-N 3.33Å; E611-E613 PolarHBondContact O-N 3.18Å; E613-R616 PolarHBondContact O-N 2.76Å; E613-R616 IonicContact OE1-CZ 2.7Å; E613-R616 IonicContact OE1-NE 3.71Å; E613-R616 PolarHBondContact OE1-NE 2.85Å; E613-R616 VanDerWaalsContact OE1-NE 3.15Å; E613-R616 IonicContact OE1-NH2 3.61Å; E613-R616 PolarHBondContact OE1-NH2 3.5Å; E613-R616 IonicContact OE2-CZ 2.84Å; E613-R616 IonicContact OE2-NE 2.66Å; E613-R616 PolarHBondContact OE2-NE 3.43Å; E613-R616 IonicContact OE2-NH2 3.35Å; E613-R616 PolarHBondContact OE2-NH2 3.4Å; E613-T617 VanDerWaalsContact O-CB 3.3Å; E613-T617 WeakPolarHBondContact O-CB 3.4Å; E613-T617 PolarHBondContact O-N 2.87Å; E613-T617 PolarHBondContact O-OG1 3.16Å; E613-Q664 PolarHBondContact OE1-NE2 3.23Å
614	L	93	Very high	90.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-44.8	178.3	179.4	58.1	0	0	0	111.4	V586 Y600 I603 A604 I609 E610 E611 R616 T617 L618	V586-L614 HydrophobicContact CG2-CD1 3.79Å; Y600-L614 HydrophobicContact CD2-CD2 4.26Å; Y600-L614 HydrophobicContact CE2-CB 4.47Å; Y600-L614 HydrophobicContact CE2-CD2 3.66Å; Y600-L614 HydrophobicContact CE2-CG 3.87Å; I603-L614 HydrophobicContact CG2-CD1 3.89Å; I603-L614 HydrophobicContact CG2-CD2 4.48Å; A604-L614 VanDerWaalsContact CA-CD2 3.45Å; A604-L614 HydrophobicContact CB-CD2 3.51Å; I609-L614 HydrophobicContact CB-CB 4.13Å; I609-L614 HydrophobicContact CB-CD1 4.43Å; I609-L614 HydrophobicContact CD1-CD1 4.36Å; I609-L614 HydrophobicContact CG2-CB 3.85Å; E610-L614 WeakPolarHBondContact O-CB 3.48Å; E610-L614 PolarHBondContact O-N 3.31Å; E611-L614 PolarHBondContact O-N 3.05Å; L614-R616 VanDerWaalsContact C-N 3.32Å; L614-R616 PolarHBondContact O-N 2.9Å; L614-T617 WeakPolarHBondContact O-CB 3.21Å; L614-T617 PolarHBondContact O-N 3.24Å; L614-L618 HydrophobicContact CD1-CD1 3.94Å; L614-L618 HydrophobicContact CD1-CG 4.07Å; L614-L618 HydrophobicContact CG-CD1 3.89Å; L614-L618 HydrophobicContact CG-CG 4.47Å; L614-L618 WeakPolarHBondContact O-CB 3.26Å; L614-L618 WeakPolarHBondContact O-CG 3.4Å; L614-L618 PolarHBondContact O-N 3.06Å
615	K	91.8	Very high	89.4	Confident	55 Å²	55	50.2 Å²	50.2	24%	0.239	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-46.2	175.3	-73.5	179.1	171.6	177.4	0	110.9	Y600 E611 T617 L618 L619 I639	Y600-K615 HydrophobicContact CE2-CG 3.83Å; E611-K615 HydrophobicContact CG-CD 4.04Å; E611-K615 WeakPolarHBondContact O-CB 3.42Å; E611-K615 VanDerWaalsContact O-CG 3.28Å; E611-K615 WeakPolarHBondContact O-CG 3.31Å; E611-K615 PolarHBondContact O-N 2.95Å; E611-K615 WeakPolarHBondContact OE1-CE 3.09Å; E611-K615 IonicContact OE1-NZ 2.7Å; E611-K615 PolarHBondContact OE1-NZ 3.49Å; K615-T617 VanDerWaalsContact C-N 3.35Å; K615-T617 PolarHBondContact O-N 2.88Å; K615-L618 PolarHBondContact O-N 3.01Å; K615-L619 WeakPolarHBondContact O-CG 3.4Å; K615-L619 PolarHBondContact O-N 3.41Å; K615-I639 HydrophobicContact CB-CD1 4.22Å; K615-I639 HydrophobicContact CD-CB 4.33Å; K615-I639 WeakPolarHBondContact CE-O 3.26Å; K615-I639 HydrophobicContact CG-CB 3.96Å; K615-I639 HydrophobicContact CG-CD1 4.39Å; K615-I639 HydrophobicContact CG-CG2 3.99Å; K615-I639 PolarHBondContact NZ-O 3.21Å; K615-I639 WeakPolarHBondContact O-CD1 3.28Å
616	R	87.6	Confident	88.3	Confident	66 Å²	66	46.9 Å²	46.9	25%	0.249	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-43.5	175.7	-172.8	170.4	73.4	158.3	5.2	112.1	K612 E613 L614 S620 Q664	K612-R616 WeakPolarHBondContact O-CB 3.31Å; K612-R616 PolarHBondContact O-N 2.71Å; E613-R616 PolarHBondContact O-N 2.76Å; E613-R616 IonicContact OE1-CZ 2.7Å; E613-R616 IonicContact OE1-NE 3.71Å; E613-R616 PolarHBondContact OE1-NE 2.85Å; E613-R616 VanDerWaalsContact OE1-NE 3.15Å; E613-R616 IonicContact OE1-NH2 3.61Å; E613-R616 PolarHBondContact OE1-NH2 3.5Å; E613-R616 IonicContact OE2-CZ 2.84Å; E613-R616 IonicContact OE2-NE 2.66Å; E613-R616 PolarHBondContact OE2-NE 3.43Å; E613-R616 IonicContact OE2-NH2 3.35Å; E613-R616 PolarHBondContact OE2-NH2 3.4Å; L614-R616 VanDerWaalsContact C-N 3.32Å; L614-R616 PolarHBondContact O-N 2.9Å; R616-S620 WeakPolarHBondContact O-CB 3.45Å; R616-S620 PolarHBondContact O-N 3.03Å; R616-S620 PolarHBondContact O-OG 3.29Å; R616-Q664 HydrophobicContact CG-CG 4.16Å; R616-Q664 PolarHBondContact NH1-O 3.33Å
617	T	90.7	Very high	87.7	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-50.2	177.3	-62.5	0	0	0	0	111.2	L582 Q583 V586 E613 L614 K615 L619 S620 L621 Q664	L582-T617 HydrophobicContact CB-CG2 4.46Å; Q583-T617 HydrophobicContact CB-CG2 4.21Å; Q583-T617 HydrophobicContact CG-CG2 3.67Å; V586-T617 HydrophobicContact CB-CG2 4.4Å; V586-T617 HydrophobicContact CG2-CG2 3.81Å; E613-T617 VanDerWaalsContact O-CB 3.3Å; E613-T617 WeakPolarHBondContact O-CB 3.4Å; E613-T617 PolarHBondContact O-N 2.87Å; E613-T617 PolarHBondContact O-OG1 3.16Å; L614-T617 WeakPolarHBondContact O-CB 3.21Å; L614-T617 PolarHBondContact O-N 3.24Å; K615-T617 VanDerWaalsContact C-N 3.35Å; K615-T617 PolarHBondContact O-N 2.88Å; T617-L619 PolarHBondContact O-N 3.02Å; T617-S620 PolarHBondContact O-N 3.41Å; T617-S620 PolarHBondContact O-OG 3.36Å; T617-L621 HydrophobicContact CG2-CD1 4.49Å; T617-L621 WeakPolarHBondContact O-CG 3.5Å; T617-L621 PolarHBondContact O-N 3.42Å; T617-Q664 PolarHBondContact OG1-NE2 3.33Å
618	L	93.2	Very high	87.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-43.6	179.3	-76.2	165.8	0	0	0	112.5	V586 Y600 I603 L614 K615 S620 L621 A622 L630 I639 F645	V586-L618 HydrophobicContact CG1-CD2 3.69Å; Y600-L618 HydrophobicContact CD2-CD1 3.65Å; Y600-L618 HydrophobicContact CE2-CD1 4.11Å; I603-L618 HydrophobicContact CD1-CD2 3.94Å; L614-L618 HydrophobicContact CD1-CD1 3.94Å; L614-L618 HydrophobicContact CD1-CG 4.07Å; L614-L618 HydrophobicContact CG-CD1 3.89Å; L614-L618 HydrophobicContact CG-CG 4.47Å; L614-L618 WeakPolarHBondContact O-CB 3.26Å; L614-L618 WeakPolarHBondContact O-CG 3.4Å; L614-L618 PolarHBondContact O-N 3.06Å; K615-L618 PolarHBondContact O-N 3.01Å; L618-S620 VanDerWaalsContact C-N 3.29Å; L618-S620 PolarHBondContact O-N 3.38Å; L618-L621 PolarHBondContact O-N 3.25Å; L618-L621 VanDerWaalsContact O-N 3.12Å; L618-A622 VanDerWaalsContact O-CB 3.31Å; L618-A622 WeakPolarHBondContact O-CB 3.05Å; L618-A622 PolarHBondContact O-N 2.87Å; L618-L630 HydrophobicContact CD2-CD1 4.27Å; L618-I639 HydrophobicContact CB-CD1 3.76Å; L618-I639 HydrophobicContact CD1-CD1 4.45Å; L618-F645 HydrophobicContact CB-CE1 3.83Å; L618-F645 HydrophobicContact CB-CZ 3.86Å; L618-F645 HydrophobicContact CD1-CD2 4.47Å; L618-F645 HydrophobicContact CD1-CE1 4.41Å; L618-F645 HydrophobicContact CD1-CE2 3.83Å; L618-F645 HydrophobicContact CD1-CZ 3.79Å; L618-F645 HydrophobicContact CD2-CD1 3.9Å; L618-F645 HydrophobicContact CD2-CD2 4.22Å; L618-F645 HydrophobicContact CD2-CE1 3.87Å; L618-F645 HydrophobicContact CD2-CE2 4.23Å; L618-F645 HydrophobicContact CD2-CG 4.07Å; L618-F645 HydrophobicContact CD2-CZ 4.05Å; L618-F645 HydrophobicContact CG-CE1 4.26Å; L618-F645 HydrophobicContact CG-CE2 4.48Å; L618-F645 HydrophobicContact CG-CZ 4.13Å
619	L	89.4	Confident	87.3	Confident	48 Å²	48	51 Å²	51	25%	0.251	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-38.9	175.6	-71.5	177.3	0	0	0	111.9	K615 T617 L621 A622 A623 L637 I639	K615-L619 WeakPolarHBondContact O-CG 3.4Å; K615-L619 PolarHBondContact O-N 3.41Å; T617-L619 PolarHBondContact O-N 3.02Å; L619-L621 PolarHBondContact O-N 3.43Å; L619-A622 PolarHBondContact O-N 3.12Å; L619-A623 HydrophobicContact CD2-CB 4.31Å; L619-A623 WeakPolarHBondContact O-CA 3.27Å; L619-A623 VanDerWaalsContact O-CB 3.26Å; L619-A623 WeakPolarHBondContact O-CB 3.31Å; L619-A623 PolarHBondContact O-N 2.96Å; L619-L637 WeakPolarHBondContact CD1-O 3.22Å; L619-L637 WeakPolarHBondContact CD2-O 3.44Å; L619-I639 HydrophobicContact CD1-CD1 4.47Å; L619-I639 HydrophobicContact CD2-CD1 3.86Å; L619-I639 HydrophobicContact CD2-CG1 4.08Å; L619-I639 HydrophobicContact CG-CD1 3.66Å; L619-I639 HydrophobicContact CG-CG1 4.29Å
620	S	87.9	Confident	87.3	Confident	9 Å²	9	50.7 Å²	50.7	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-25.1	177.2	73.3	0	0	0	0	113.6	Q583 R616 T617 L618	Q583-S620 PolarHBondContact NE2-OG 3.2Å; R616-S620 WeakPolarHBondContact O-CB 3.45Å; R616-S620 PolarHBondContact O-N 3.03Å; R616-S620 PolarHBondContact O-OG 3.29Å; T617-S620 PolarHBondContact O-N 3.41Å; T617-S620 PolarHBondContact O-OG 3.36Å; L618-S620 VanDerWaalsContact C-N 3.29Å; L618-S620 PolarHBondContact O-N 3.38Å
621	L	91.9	Very high	87.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-93.2	-25.3	177.7	-63.5	173.3	0	0	0	113.3	Q583 V586 L587 T617 L618 L619 V629 L630 F660	Q583-L621 HydrophobicContact CB-CD1 4.25Å; Q583-L621 HydrophobicContact CB-CD2 4.26Å; Q583-L621 HydrophobicContact CG-CD1 4.25Å; Q583-L621 HydrophobicContact CG-CD2 4.12Å; Q583-L621 HydrophobicContact CG-CG 4.17Å; V586-L621 HydrophobicContact CB-CD1 4.24Å; V586-L621 HydrophobicContact CG1-CD1 3.9Å; L587-L621 HydrophobicContact CD1-CD2 4.37Å; L587-L621 HydrophobicContact CD2-CD1 4.19Å; L587-L621 HydrophobicContact CD2-CD2 4.41Å; L587-L621 HydrophobicContact CG-CD1 4.14Å; L587-L621 HydrophobicContact CG-CD2 4.46Å; T617-L621 HydrophobicContact CG2-CD1 4.49Å; T617-L621 WeakPolarHBondContact O-CG 3.5Å; T617-L621 PolarHBondContact O-N 3.42Å; L618-L621 PolarHBondContact O-N 3.25Å; L618-L621 VanDerWaalsContact O-N 3.12Å; L619-L621 PolarHBondContact O-N 3.43Å; L621-V629 HydrophobicContact CB-CG2 3.98Å; L621-V629 HydrophobicContact CD2-CG2 3.79Å; L621-V629 HydrophobicContact CG-CG2 4.45Å; L621-V629 PolarHBondContact O-N 2.91Å; L621-L630 HydrophobicContact CB-CD1 3.97Å; L621-L630 HydrophobicContact CB-CG 4.26Å; L621-L630 HydrophobicContact CD1-CD1 4.12Å; L621-L630 PolarHBondContact O-N 3.06Å; L621-F660 HydrophobicContact CD2-CD1 4.03Å; L621-F660 HydrophobicContact CD2-CG 4.36Å
622	A	90.6	Very high	87.3	Confident	7 Å²	7	45.4 Å²	45.4	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-110.4	-26	-172.2	0	0	0	0	0	115.3	L618 L619 R628 L630 K632 F645	L618-A622 VanDerWaalsContact O-CB 3.31Å; L618-A622 WeakPolarHBondContact O-CB 3.05Å; L618-A622 PolarHBondContact O-N 2.87Å; L619-A622 PolarHBondContact O-N 3.12Å; A622-R628 WeakPolarHBondContact O-CD 3.48Å; A622-R628 VanDerWaalsContact O-CG 3.26Å; A622-R628 WeakPolarHBondContact O-CG 3.5Å; A622-L630 WeakPolarHBondContact CA-O 3.46Å; A622-L630 HydrophobicContact CB-CB 4.27Å; A622-K632 HydrophobicContact CB-CB 4.16Å; A622-F645 HydrophobicContact CB-CD1 4.33Å; A622-F645 HydrophobicContact CB-CE1 4.16Å
623	A	81.5	Confident	87.5	Confident	37 Å²	37	43.9 Å²	43.9	31%	0.306	23%	0.23	S	C	.	.	S	Bend	trans	-103.8	-6.2	-172.7	0	0	0	0	0	114.3	L619 K625 L637	L619-A623 HydrophobicContact CD2-CB 4.31Å; L619-A623 WeakPolarHBondContact O-CA 3.27Å; L619-A623 VanDerWaalsContact O-CB 3.26Å; L619-A623 WeakPolarHBondContact O-CB 3.31Å; L619-A623 PolarHBondContact O-N 2.96Å; A623-K625 PolarHBondContact O-N 3.15Å; A623-L637 HydrophobicContact CB-CD2 3.93Å
624	G	75.6	Confident	87.6	Confident	23 Å²	23	45.2 Å²	45.2	24%	0.237	24%	0.241	C	C	.	.	S	Bend	trans	-58.6	127.7	-179.6	0	0	0	0	0	112.9	G626 Q627 R628	G624-G626 PolarHBondContact O-N 3.45Å; G624-Q627 PolarHBondContact O-N 2.8Å; G624-R628 WeakPolarHBondContact O-CG 3.43Å
625	K	71.9	Confident	87.1	Confident	207 Å²	207	48.9 Å²	48.9	90%	0.9	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	112.5	174.5	-75.5	-173.4	179	-178.8	0	109.4	A623 Q627	A623-K625 PolarHBondContact O-N 3.15Å; K625-Q627 PolarHBondContact O-N 3.31Å
626	G	72.2	Confident	86.9	Confident	62 Å²	62	49.5 Å²	49.5	64%	0.639	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	9.4	-179.4	0	0	0	0	0	115.6	G624	G624-G626 PolarHBondContact O-N 3.45Å
627	Q	82.5	Confident	86.8	Confident	58 Å²	58	52.5 Å²	52.5	27%	0.271	31%	0.305	S	S	.	.			trans	-136.4	49.9	-177.1	-71	-174.8	-23.9	0	0	111.9	G624 K625 H653 F660	G624-Q627 PolarHBondContact O-N 2.8Å; K625-Q627 PolarHBondContact O-N 3.31Å; Q627-H653 PolarHBondContact NE2-NE2 3.24Å; Q627-F660 HydrophobicContact CB-CE1 4.31Å; Q627-F660 WeakPolarHBondContact O-CE1 3Å
628	R	88.7	Confident	86.7	Confident	129 Å²	129	58.6 Å²	58.6	49%	0.487	33%	0.334	S	S	.	.			trans	-98.6	94.5	-177	-55.2	-176.7	-178.6	176.9	-3.2	110.7	A622 G624 L630 N648 F651	A622-R628 WeakPolarHBondContact O-CD 3.48Å; A622-R628 VanDerWaalsContact O-CG 3.26Å; A622-R628 WeakPolarHBondContact O-CG 3.5Å; G624-R628 WeakPolarHBondContact O-CG 3.43Å; R628-L630 VanDerWaalsContact C-N 3.27Å; R628-N648 VanDerWaalsContact O-CB 3.31Å; R628-N648 WeakPolarHBondContact O-CB 3.11Å; R628-N648 PolarHBondContact O-ND2 2.8Å; R628-F651 VanDerWaalsContact O-CD2 3.28Å; R628-F651 WeakPolarHBondContact O-CD2 3.41Å
629	V	92	Very high	86.6	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	34%	0.337	C	S	.	.	S	Bend	trans	-77.4	-20.4	175.2	-68.8	0	0	0	0	112	F567 L577 L587 L621 N648 F651 F660	F567-V629 HydrophobicContact CE1-CG1 4.46Å; F567-V629 HydrophobicContact CZ-CG1 3.97Å; L577-V629 HydrophobicContact CD1-CG1 4.36Å; L587-V629 HydrophobicContact CD2-CG2 3.89Å; L621-V629 HydrophobicContact CB-CG2 3.98Å; L621-V629 HydrophobicContact CD2-CG2 3.79Å; L621-V629 HydrophobicContact CG-CG2 4.45Å; L621-V629 PolarHBondContact O-N 2.91Å; V629-N648 WeakPolarHBondContact O-CB 3.21Å; V629-N648 PolarHBondContact O-N 2.99Å; V629-F651 HydrophobicContact CG1-CD1 4.39Å; V629-F651 HydrophobicContact CG1-CD2 3.96Å; V629-F651 HydrophobicContact CG1-CE1 4.16Å; V629-F651 HydrophobicContact CG1-CE2 3.68Å; V629-F651 HydrophobicContact CG1-CG 4.29Å; V629-F651 HydrophobicContact CG1-CZ 3.78Å; V629-F660 HydrophobicContact CB-CE1 4.48Å; V629-F660 HydrophobicContact CG1-CE1 3.78Å; V629-F660 HydrophobicContact CG1-CE2 4.43Å; V629-F660 HydrophobicContact CG1-CZ 3.44Å; V629-F660 VanDerWaalsContact CG1-CZ 3.44Å; V629-F660 HydrophobicContact CG2-CE1 3.92Å; V629-F660 HydrophobicContact CG2-CZ 4.32Å
630	L	93.6	Very high	86.7	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.9	169.9	-57.7	178.2	0	0	0	109.9	V586 L587 F590 L618 L621 A622 R628 I646	V586-L630 HydrophobicContact CG1-CD1 4.22Å; L587-L630 HydrophobicContact CD2-CD2 4.44Å; F590-L630 HydrophobicContact CD1-CD2 4.31Å; F590-L630 HydrophobicContact CD2-CD2 3.77Å; F590-L630 HydrophobicContact CE1-CD2 4.14Å; F590-L630 HydrophobicContact CE2-CD1 3.76Å; F590-L630 HydrophobicContact CE2-CD2 3.57Å; F590-L630 HydrophobicContact CE2-CG 4.33Å; F590-L630 HydrophobicContact CG-CD2 4.14Å; F590-L630 HydrophobicContact CZ-CD1 4.06Å; F590-L630 HydrophobicContact CZ-CD2 3.77Å; L618-L630 HydrophobicContact CD2-CD1 4.27Å; L621-L630 HydrophobicContact CB-CD1 3.97Å; L621-L630 HydrophobicContact CB-CG 4.26Å; L621-L630 HydrophobicContact CD1-CD1 4.12Å; L621-L630 PolarHBondContact O-N 3.06Å; A622-L630 WeakPolarHBondContact CA-O 3.46Å; A622-L630 HydrophobicContact CB-CB 4.27Å; R628-L630 VanDerWaalsContact C-N 3.27Å; L630-I646 CarbonylContact C-O 3.53Å; L630-I646 WeakPolarHBondContact CA-O 3.42Å
631	K	91.4	Very high	86.9	Confident	77 Å²	77	65.9 Å²	65.9	34%	0.335	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.9	165.1	-65.7	-179.5	179.1	178	0	108.2	F645 I646 N648 E650	K631-F645 CarbonylContact O-C 3.57Å; K631-F645 WeakPolarHBondContact O-CA 3.48Å; K631-I646 HydrophobicContact CB-CG2 3.71Å; K631-I646 PolarHBondContact N-O 2.84Å; K631-I646 PolarHBondContact O-N 2.93Å; K631-N648 WeakPolarHBondContact CE-OD1 3.3Å; K631-N648 HydrophobicContact CG-CB 4.03Å; K631-E650 IonicContact NZ-OE1 3.67Å; K631-E650 IonicContact NZ-OE2 3.37Å; K631-E650 PolarHBondContact NZ-OE2 2.83Å
632	K	93.1	Very high	86.9	Confident	23 Å²	23	71 Å²	71	10%	0.1	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.6	177.2	-171.1	178.1	78	80.9	0	110.3	A622 P634 N636 E638 I639 Q644 F645	A622-K632 HydrophobicContact CB-CB 4.16Å; K632-P634 VanDerWaalsContact CE-O 3.25Å; K632-P634 WeakPolarHBondContact CE-O 3.35Å; K632-P634 PolarHBondContact NZ-O 2.98Å; K632-P634 CarbonylContact O-C 3.59Å; K632-N636 WeakPolarHBondContact CE-O 3.48Å; K632-N636 PolarHBondContact NZ-O 2.74Å; K632-N636 PolarHBondContact NZ-OD1 3.34Å; K632-E638 PolarHBondContact NZ-O 2.88Å; K632-I639 HydrophobicContact CD-CG1 4.19Å; K632-Q644 CarbonylContact C-O 3.47Å; K632-Q644 WeakPolarHBondContact CA-O 3.37Å; K632-F645 HydrophobicContact CB-CD1 4.04Å; K632-F645 HydrophobicContact CB-CE1 3.85Å; K632-F645 HydrophobicContact CD-CD1 4.47Å; K632-F645 HydrophobicContact CD-CE1 3.51Å; K632-F645 HydrophobicContact CD-CZ 3.53Å; K632-F645 HydrophobicContact CG-CD1 4.04Å; K632-F645 HydrophobicContact CG-CE1 3.54Å; K632-F645 HydrophobicContact CG-CE2 4.43Å; K632-F645 HydrophobicContact CG-CZ 3.76Å
633	T	91.7	Very high	87.1	Confident	88 Å²	88	71 Å²	71	54%	0.54	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.4	172	-57.1	0	0	0	0	109	Q644	T633-Q644 PolarHBondContact N-O 2.87Å; T633-Q644 PolarHBondContact O-N 2.85Å
634	P	89.8	Confident	87.7	Confident	58 Å²	58	73.1 Å²	73.1	38%	0.377	40%	0.398	S	S	.	.	S	Bend	cis	-71.2	159.7	-3.7	30.7	-33.7	0	0	0	112.7	K632 N636 H643	K632-P634 VanDerWaalsContact CE-O 3.25Å; K632-P634 WeakPolarHBondContact CE-O 3.35Å; K632-P634 PolarHBondContact NZ-O 2.98Å; K632-P634 CarbonylContact O-C 3.59Å; P634-N636 PolarHBondContact O-N 2.76Å; P634-N636 VanDerWaalsContact O-N 3.15Å; P634-H643 WeakPolarHBondContact CD-CD2 3.44Å; P634-H643 WeakPolarHBondContact CD-NE2 3.49Å; P634-H643 WeakPolarHBondContact CG-NE2 3.41Å
635	G	83	Confident	88.7	Confident	77 Å²	77	72 Å²	72	79%	0.794	39%	0.387	S	S	*	.			trans	-78.2	15.5	-175	0	0	0	0	0	116.8
636	N	86.9	Confident	89.8	Confident	68 Å²	68	64.4 Å²	64.4	36%	0.364	36%	0.356	S	S	.	.	S	Bend	trans	-78.2	176.8	177.6	63.7	4.6	0	0	0	112.3	K632 P634 E638	K632-N636 WeakPolarHBondContact CE-O 3.48Å; K632-N636 PolarHBondContact NZ-O 2.74Å; K632-N636 PolarHBondContact NZ-OD1 3.34Å; P634-N636 PolarHBondContact O-N 2.76Å; P634-N636 VanDerWaalsContact O-N 3.15Å; N636-E638 PolarHBondContact OD1-O 2.85Å
637	L	85.7	Confident	90.7	Very high	129 Å²	129	63.5 Å²	63.5	68%	0.675	34%	0.335	S	S	*	.	S	Bend	trans	-84.2	-9.4	179.1	-71	172.6	0	0	0	114.1	L619 A623	L619-L637 WeakPolarHBondContact CD1-O 3.22Å; L619-L637 WeakPolarHBondContact CD2-O 3.44Å; A623-L637 HydrophobicContact CB-CD2 3.93Å
638	E	88.5	Confident	91.2	Very high	129 Å²	129	61.5 Å²	61.5	60%	0.603	33%	0.326	S	S	*	.			trans	-85.3	149	-179.4	-67	177.1	166.2	0	0	111.5	K632 N636 H643	K632-E638 PolarHBondContact NZ-O 2.88Å; N636-E638 PolarHBondContact OD1-O 2.85Å; E638-H643 PolarHBondContact O-CE1 3.33Å; E638-H643 PolarHBondContact O-ND1 3.49Å
639	I	90.2	Very high	91.3	Very high	13 Å²	13	57.9 Å²	57.9	7%	0.067	32%	0.318	C	S	.	.			trans	-124.1	114.7	177.3	-63.5	-179	0	0	0	108.9	Y600 K615 L618 L619 K632 H643 F645	Y600-I639 HydrophobicContact CD2-CG2 3.32Å; Y600-I639 HydrophobicContact CE2-CG2 3.76Å; Y600-I639 HydrophobicContact CG-CG2 3.91Å; K615-I639 HydrophobicContact CB-CD1 4.22Å; K615-I639 HydrophobicContact CD-CB 4.33Å; K615-I639 WeakPolarHBondContact CE-O 3.26Å; K615-I639 HydrophobicContact CG-CB 3.96Å; K615-I639 HydrophobicContact CG-CD1 4.39Å; K615-I639 HydrophobicContact CG-CG2 3.99Å; K615-I639 PolarHBondContact NZ-O 3.21Å; K615-I639 WeakPolarHBondContact O-CD1 3.28Å; L618-I639 HydrophobicContact CB-CD1 3.76Å; L618-I639 HydrophobicContact CD1-CD1 4.45Å; L619-I639 HydrophobicContact CD1-CD1 4.47Å; L619-I639 HydrophobicContact CD2-CD1 3.86Å; L619-I639 HydrophobicContact CD2-CG1 4.08Å; L619-I639 HydrophobicContact CG-CD1 3.66Å; L619-I639 HydrophobicContact CG-CG1 4.29Å; K632-I639 HydrophobicContact CD-CG1 4.19Å; I639-H643 WeakPolarHBondContact CA-ND1 3.22Å; I639-F645 HydrophobicContact CD1-CZ 3.98Å; I639-F645 HydrophobicContact CG1-CZ 4.29Å; I639-F645 HydrophobicContact CG2-CZ 4.45Å
640	E	92.2	Very high	91.1	Very high	101 Å²	101	64.1 Å²	64.1	47%	0.472	35%	0.347	S	S	.	.			trans	-110.3	165.7	172	-60.1	-175.4	-177.1	0	0	110.6	Y600 N642 H643	Y600-E640 WeakPolarHBondContact CB-O 3.48Å; E640-N642 VanDerWaalsContact C-N 3.25Å; E640-N642 WeakPolarHBondContact CB-OD1 3.41Å; E640-N642 PolarHBondContact O-N 3.4Å; E640-H643 PolarHBondContact N-CE1 3.37Å; E640-H643 PolarHBondContact N-ND1 2.81Å; E640-H643 VanDerWaalsContact N-ND1 3.13Å; E640-H643 VanDerWaalsContact O-CB 3.32Å; E640-H643 WeakPolarHBondContact O-CB 3.5Å; E640-H643 PolarHBondContact O-N 3.32Å
641	N	91.4	Very high	91	Very high	96 Å²	96	64.2 Å²	64.2	51%	0.513	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-30.3	-171.3	-68.3	-9.9	0	0	0	114.2	Y600 T601	Y600-N641 WeakPolarHBondContact CE1-OD1 3.38Å; T601-N641 PolarHBondContact N-O 2.87Å; T601-N641 PolarHBondContact OG1-O 3.15Å
642	N	91.6	Very high	90.7	Very high	106 Å²	106	66.8 Å²	66.8	57%	0.567	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.4	178.5	63.8	-19	0	0	0	113.5	E640 Q644	E640-N642 VanDerWaalsContact C-N 3.25Å; E640-N642 WeakPolarHBondContact CB-OD1 3.41Å; E640-N642 PolarHBondContact O-N 3.4Å; N642-Q644 PolarHBondContact O-N 2.98Å
643	H	95.7	Very high	90.4	Very high	8 Å²	8	66.7 Å²	66.7	4%	0.037	36%	0.36	C	S	.	.			trans	-63.8	137.4	-180	-72	-173.8	0	0	0	110.5	T599 Y600 P634 E638 I639 E640 F645	T599-H643 CarbonylContact C-O 3.5Å; T599-H643 WeakPolarHBondContact CA-O 3.02Å; Y600-H643 PolarHBondContact N-O 2.83Å; P634-H643 WeakPolarHBondContact CD-CD2 3.44Å; P634-H643 WeakPolarHBondContact CD-NE2 3.49Å; P634-H643 WeakPolarHBondContact CG-NE2 3.41Å; E638-H643 PolarHBondContact O-CE1 3.33Å; E638-H643 PolarHBondContact O-ND1 3.49Å; I639-H643 WeakPolarHBondContact CA-ND1 3.22Å; E640-H643 PolarHBondContact N-CE1 3.37Å; E640-H643 PolarHBondContact N-ND1 2.81Å; E640-H643 VanDerWaalsContact N-ND1 3.13Å; E640-H643 VanDerWaalsContact O-CB 3.32Å; E640-H643 WeakPolarHBondContact O-CB 3.5Å; E640-H643 PolarHBondContact O-N 3.32Å; H643-F645 HydrophobicContact CB-CE2 4.46Å
644	Q	94.9	Very high	90.2	Very high	81 Å²	81	72.9 Å²	72.9	38%	0.379	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.3	-175.6	-69.7	-177.9	-13.1	0	0	111.1	P597 I598 T599 K632 T633 N642	P597-Q644 HydrophobicContact CB-CB 4.05Å; P597-Q644 HydrophobicContact CB-CG 4.38Å; I598-Q644 WeakPolarHBondContact O-CA 3.39Å; T599-Q644 HydrophobicContact CG2-CG 4.12Å; K632-Q644 CarbonylContact C-O 3.47Å; K632-Q644 WeakPolarHBondContact CA-O 3.37Å; T633-Q644 PolarHBondContact N-O 2.87Å; T633-Q644 PolarHBondContact O-N 2.85Å; N642-Q644 PolarHBondContact O-N 2.98Å
645	F	95.5	Very high	90.2	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.8	175.9	-63.2	-95	0	0	0	108.9	F590 P597 I598 I603 L618 A622 K631 K632 I639 H643	F590-F645 HydrophobicContact CE1-CB 4.27Å; F590-F645 WeakPolarHBondContact CE1-O 3.33Å; F590-F645 HydrophobicContact CZ-CB 3.8Å; P597-F645 CarbonylContact C-O 3.56Å; P597-F645 WeakPolarHBondContact CA-O 3.48Å; I598-F645 PolarHBondContact N-O 2.81Å; I598-F645 PolarHBondContact O-N 3.37Å; I603-F645 HydrophobicContact CD1-CB 4.23Å; I603-F645 HydrophobicContact CD1-CD2 4.04Å; I603-F645 HydrophobicContact CD1-CG 4.33Å; L618-F645 HydrophobicContact CB-CE1 3.83Å; L618-F645 HydrophobicContact CB-CZ 3.86Å; L618-F645 HydrophobicContact CD1-CD2 4.47Å; L618-F645 HydrophobicContact CD1-CE1 4.41Å; L618-F645 HydrophobicContact CD1-CE2 3.83Å; L618-F645 HydrophobicContact CD1-CZ 3.79Å; L618-F645 HydrophobicContact CD2-CD1 3.9Å; L618-F645 HydrophobicContact CD2-CD2 4.22Å; L618-F645 HydrophobicContact CD2-CE1 3.87Å; L618-F645 HydrophobicContact CD2-CE2 4.23Å; L618-F645 HydrophobicContact CD2-CG 4.07Å; L618-F645 HydrophobicContact CD2-CZ 4.05Å; L618-F645 HydrophobicContact CG-CE1 4.26Å; L618-F645 HydrophobicContact CG-CE2 4.48Å; L618-F645 HydrophobicContact CG-CZ 4.13Å; A622-F645 HydrophobicContact CB-CD1 4.33Å; A622-F645 HydrophobicContact CB-CE1 4.16Å; K631-F645 CarbonylContact O-C 3.57Å; K631-F645 WeakPolarHBondContact O-CA 3.48Å; K632-F645 HydrophobicContact CB-CD1 4.04Å; K632-F645 HydrophobicContact CB-CE1 3.85Å; K632-F645 HydrophobicContact CD-CD1 4.47Å; K632-F645 HydrophobicContact CD-CE1 3.51Å; K632-F645 HydrophobicContact CD-CZ 3.53Å; K632-F645 HydrophobicContact CG-CD1 4.04Å; K632-F645 HydrophobicContact CG-CE1 3.54Å; K632-F645 HydrophobicContact CG-CE2 4.43Å; K632-F645 HydrophobicContact CG-CZ 3.76Å; I639-F645 HydrophobicContact CD1-CZ 3.98Å; I639-F645 HydrophobicContact CG1-CZ 4.29Å; I639-F645 HydrophobicContact CG2-CZ 4.45Å; H643-F645 HydrophobicContact CB-CE2 4.46Å
646	I	94.4	Very high	90.5	Very high	48 Å²	48	73.4 Å²	73.4	25%	0.246	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.3	176.6	-173.3	173.7	0	0	0	109.5	N595 P597 L630 K631 N648	N595-I646 WeakPolarHBondContact O-CD1 3.26Å; N595-I646 WeakPolarHBondContact O-CG1 3.3Å; P597-I646 HydrophobicContact CG-CD1 4.35Å; L630-I646 CarbonylContact C-O 3.53Å; L630-I646 WeakPolarHBondContact CA-O 3.42Å; K631-I646 HydrophobicContact CB-CG2 3.71Å; K631-I646 PolarHBondContact N-O 2.84Å; K631-I646 PolarHBondContact O-N 2.93Å; I646-N648 PolarHBondContact O-N 2.95Å
647	F	92.9	Very high	90.6	Very high	43 Å²	43	77.8 Å²	77.8	19%	0.189	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	128.9	173.1	174.7	-111.2	0	0	0	111	F567 F590 N595 T649	F567-F647 HydrophobicContact CD1-CE1 4.43Å; F567-F647 AromaticContact CD1-CE2 3.86Å; F567-F647 HydrophobicContact CD1-CE2 3.86Å; F567-F647 AromaticContact CD1-CZ 3.45Å; F567-F647 HydrophobicContact CD1-CZ 3.45Å; F567-F647 VanDerWaalsContact CD1-CZ 3.45Å; F567-F647 AromaticContact CE1-CE2 3.41Å; F567-F647 HydrophobicContact CE1-CE2 3.41Å; F567-F647 VanDerWaalsContact CE1-CE2 3.41Å; F567-F647 AromaticContact CE1-CZ 3.54Å; F567-F647 HydrophobicContact CE1-CZ 3.54Å; F567-F647 HydrophobicContact CG-CZ 4.37Å; F567-F647 HydrophobicContact CZ-CE2 4.19Å; F590-F647 HydrophobicContact CB-CB 4.47Å; F590-F647 HydrophobicContact CD1-CB 4.44Å; N595-F647 WeakPolarHBondContact OD1-CD1 3.15Å; F647-T649 HydrophobicContact CD1-CG2 3.78Å; F647-T649 HydrophobicContact CE1-CG2 4.04Å; F647-T649 PolarHBondContact O-N 3.21Å; F647-T649 VanDerWaalsContact O-N 3.09Å
648	N	92.2	Very high	90.6	Very high	16 Å²	16	71.8 Å²	71.8	9%	0.086	34%	0.337	C	S	.	.			trans	-81.2	91	179.2	-175.2	5.1	0	0	0	111.1	R628 V629 K631 I646 E650 F651	R628-N648 VanDerWaalsContact O-CB 3.31Å; R628-N648 WeakPolarHBondContact O-CB 3.11Å; R628-N648 PolarHBondContact O-ND2 2.8Å; V629-N648 WeakPolarHBondContact O-CB 3.21Å; V629-N648 PolarHBondContact O-N 2.99Å; K631-N648 WeakPolarHBondContact CE-OD1 3.3Å; K631-N648 HydrophobicContact CG-CB 4.03Å; I646-N648 PolarHBondContact O-N 2.95Å; N648-E650 PolarHBondContact O-N 3.09Å; N648-E650 PolarHBondContact OD1-N 3.26Å; N648-E650 VanDerWaalsContact OD1-N 3.08Å; N648-F651 HydrophobicContact CB-CB 4.18Å; N648-F651 VanDerWaalsContact O-CB 3.23Å; N648-F651 WeakPolarHBondContact O-CB 3.48Å; N648-F651 PolarHBondContact O-N 3.37Å; N648-F651 VanDerWaalsContact O-N 3.07Å; N648-F651 PolarHBondContact OD1-N 3.08Å
649	T	89.8	Confident	90.4	Very high	52 Å²	52	69.5 Å²	69.5	32%	0.319	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.1	176.2	52.1	0	0	0	0	113.9	P568 F647	P568-T649 WeakPolarHBondContact CD-O 3.48Å; P568-T649 HydrophobicContact CG-CG2 4.33Å; F647-T649 HydrophobicContact CD1-CG2 3.78Å; F647-T649 HydrophobicContact CE1-CG2 4.04Å; F647-T649 PolarHBondContact O-N 3.21Å; F647-T649 VanDerWaalsContact O-N 3.09Å
650	E	89.4	Confident	89.8	Confident	132 Å²	132	69.3 Å²	69.3	62%	0.617	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	6.9	178.4	-63	168.4	174.4	0	0	112.6	K631 N648 H652	K631-E650 IonicContact NZ-OE1 3.67Å; K631-E650 IonicContact NZ-OE2 3.37Å; K631-E650 PolarHBondContact NZ-OE2 2.83Å; N648-E650 PolarHBondContact O-N 3.09Å; N648-E650 PolarHBondContact OD1-N 3.26Å; N648-E650 VanDerWaalsContact OD1-N 3.08Å; E650-H652 PolarHBondContact O-N 3.17Å
651	F	89.8	Confident	88.4	Confident	4 Å²	4	65 Å²	65	2%	0.018	30%	0.304	C	S	.	.			trans	-57.7	124.6	-179.6	176.2	-101	0	0	0	110.6	F567 T569 R628 V629 N648 H653 I658 F660	F567-F651 HydrophobicContact CD1-CB 3.64Å; F567-F651 AromaticContact CD1-CD1 3.76Å; F567-F651 HydrophobicContact CD1-CD1 3.76Å; F567-F651 HydrophobicContact CD1-CG 4.09Å; F567-F651 AromaticContact CD2-CD1 3.94Å; F567-F651 HydrophobicContact CD2-CD1 3.94Å; F567-F651 HydrophobicContact CD2-CE1 4.46Å; F567-F651 HydrophobicContact CE1-CB 3.64Å; F567-F651 AromaticContact CE1-CD1 3.52Å; F567-F651 HydrophobicContact CE1-CD1 3.52Å; F567-F651 HydrophobicContact CE1-CE1 4.4Å; F567-F651 AromaticContact CE1-CG 3.78Å; F567-F651 HydrophobicContact CE1-CG 3.78Å; F567-F651 AromaticContact CE2-CD1 3.72Å; F567-F651 HydrophobicContact CE2-CD1 3.72Å; F567-F651 AromaticContact CE2-CE1 3.98Å; F567-F651 HydrophobicContact CE2-CE1 3.98Å; F567-F651 HydrophobicContact CG-CB 4.46Å; F567-F651 AromaticContact CG-CD1 3.96Å; F567-F651 HydrophobicContact CG-CD1 3.96Å; F567-F651 HydrophobicContact CZ-CB 4.47Å; F567-F651 AromaticContact CZ-CD1 3.5Å; F567-F651 HydrophobicContact CZ-CD1 3.5Å; F567-F651 AromaticContact CZ-CE1 3.94Å; F567-F651 HydrophobicContact CZ-CE1 3.94Å; F567-F651 HydrophobicContact CZ-CG 4.14Å; T569-F651 PolarHBondContact OG1-O 3.07Å; R628-F651 VanDerWaalsContact O-CD2 3.28Å; R628-F651 WeakPolarHBondContact O-CD2 3.41Å; V629-F651 HydrophobicContact CG1-CD1 4.39Å; V629-F651 HydrophobicContact CG1-CD2 3.96Å; V629-F651 HydrophobicContact CG1-CE1 4.16Å; V629-F651 HydrophobicContact CG1-CE2 3.68Å; V629-F651 HydrophobicContact CG1-CG 4.29Å; V629-F651 HydrophobicContact CG1-CZ 3.78Å; N648-F651 HydrophobicContact CB-CB 4.18Å; N648-F651 VanDerWaalsContact O-CB 3.23Å; N648-F651 WeakPolarHBondContact O-CB 3.48Å; N648-F651 PolarHBondContact O-N 3.37Å; N648-F651 VanDerWaalsContact O-N 3.07Å; N648-F651 PolarHBondContact OD1-N 3.08Å; F651-H653 HydrophobicContact CE1-CB 3.97Å; F651-H653 HydrophobicContact CZ-CB 3.82Å; F651-I658 HydrophobicContact CE1-CD1 3.66Å; F651-I658 HydrophobicContact CZ-CD1 3.72Å; F651-F660 HydrophobicContact CZ-CZ 4.34Å
652	H	85.7	Confident	86.6	Confident	130 Å²	130	67.7 Å²	67.7	60%	0.602	31%	0.313	S	S	*	.			trans	-130.7	137	174.8	-178.1	79.9	0	0	0	109.6	E650	E650-H652 PolarHBondContact O-N 3.17Å
653	H	87.5	Confident	84.7	Confident	22 Å²	22	66.8 Å²	66.8	10%	0.102	31%	0.312	C	S	.	.			trans	-150.3	137.1	176.8	-168.4	-89.7	0	0	0	110.4	K575 Q627 F651 L655 I658	K575-H653 PolarHBondContact NZ-O 2.64Å; Q627-H653 PolarHBondContact NE2-NE2 3.24Å; F651-H653 HydrophobicContact CE1-CB 3.97Å; F651-H653 HydrophobicContact CZ-CB 3.82Å; H653-L655 VanDerWaalsContact C-N 3.33Å; H653-L655 PolarHBondContact ND1-N 3.06Å; H653-L655 VanDerWaalsContact ND1-N 3.1Å; H653-L655 PolarHBondContact ND1-O 2.97Å; H653-L655 PolarHBondContact O-N 3.38Å; H653-I658 HydrophobicContact CB-CD1 3.61Å; H653-I658 HydrophobicContact CB-CG1 4.49Å
654	R	88	Confident	82.7	Confident	218 Å²	218	67.6 Å²	67.6	82%	0.823	32%	0.315	S	S	*	.	S	Bend	trans	-61.8	-37.3	-177	68	-178.4	179.9	146.8	-1.6	113.5
655	L	88	Confident	80.9	Confident	85 Å²	85	65.7 Å²	65.7	45%	0.445	31%	0.307	S	S	.	.			trans	-84.1	146.7	-179.6	-53.4	179.9	0	0	0	111.2	K575 H653 R657	K575-L655 PolarHBondContact NZ-O 3.46Å; H653-L655 VanDerWaalsContact C-N 3.33Å; H653-L655 PolarHBondContact ND1-N 3.06Å; H653-L655 VanDerWaalsContact ND1-N 3.1Å; H653-L655 PolarHBondContact ND1-O 2.97Å; H653-L655 PolarHBondContact O-N 3.38Å; L655-R657 WeakPolarHBondContact CB-O 3.33Å
656	T	89.3	Confident	79.3	Confident	61 Å²	61	73.5 Å²	73.5	37%	0.374	34%	0.341	S	S	.	.	S	Bend	trans	-78.2	-40.4	170.8	-51.4	0	0	0	0	111.5	L573 R574 K575 E576	L573-T656 HydrophobicContact CD1-CG2 3.98Å; L573-T656 HydrophobicContact CD2-CG2 4.37Å; L573-T656 HydrophobicContact CG-CG2 4.22Å; R574-T656 WeakPolarHBondContact O-CG2 3.43Å; K575-T656 WeakPolarHBondContact CA-O 3.09Å; E576-T656 PolarHBondContact N-O 2.69Å
657	R	89.1	Confident	78	Confident	160 Å²	160	72.8 Å²	72.8	60%	0.604	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.4	171.8	-76.6	174.9	176.8	-179.1	-2	109.9	E576 L655	E576-R657 HydrophobicContact CB-CG 3.83Å; E576-R657 CarbonylContact O-C 3.52Å; E576-R657 WeakPolarHBondContact O-CA 3.43Å; E576-R657 WeakPolarHBondContact OE2-CG 3.32Å; E576-R657 IonicContact OE2-CZ 3.73Å; E576-R657 IonicContact OE2-NE 3.27Å; E576-R657 PolarHBondContact OE2-NE 3.31Å; E576-R657 IonicContact OE2-NH2 2.74Å; E576-R657 PolarHBondContact OE2-NH2 3.4Å; E576-R657 VanDerWaalsContact OE2-NH2 3.17Å; L655-R657 WeakPolarHBondContact CB-O 3.33Å
658	I	87.5	Confident	77	Confident	2 Å²	2	72.8 Å²	72.8	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.7	-170.8	-45.7	174.7	0	0	0	108.3	K575 E576 L577 Q578 F651 H653 F660	K575-I658 HydrophobicContact CB-CD1 4.37Å; K575-I658 HydrophobicContact CD-CD1 4.34Å; K575-I658 HydrophobicContact CG-CD1 4.46Å; E576-I658 PolarHBondContact O-N 3.3Å; L577-I658 CarbonylContact C-O 3.23Å; L577-I658 HydrophobicContact CD2-CB 4.3Å; L577-I658 HydrophobicContact CD2-CD1 4.08Å; Q578-I658 PolarHBondContact N-O 3.1Å; F651-I658 HydrophobicContact CE1-CD1 3.66Å; F651-I658 HydrophobicContact CZ-CD1 3.72Å; H653-I658 HydrophobicContact CB-CD1 3.61Å; H653-I658 HydrophobicContact CB-CG1 4.49Å; I658-F660 HydrophobicContact CB-CE2 3.85Å; I658-F660 HydrophobicContact CG2-CD2 4.31Å; I658-F660 HydrophobicContact CG2-CE2 3.5Å; I658-F660 HydrophobicContact CG2-CZ 3.81Å
659	K	83.2	Confident	76.2	Confident	82 Å²	82	79.8 Å²	79.8	36%	0.357	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.3	-172.3	-169.4	171.4	-168.8	164.9	0	111.3	Q578	Q578-K659 HydrophobicContact CB-CB 4.33Å; Q578-K659 HydrophobicContact CB-CG 4.22Å
660	F	77.9	Confident	75.5	Confident	9 Å²	9	83.5 Å²	83.5	4%	0.039	39%	0.386	C	S	.	.			trans	-105.1	-9.1	-173.6	-69.3	-99.3	0	0	0	114.2	L577 Q578 V579 Q583 L621 Q627 V629 F651 I658 Q662	L577-F660 HydrophobicContact CB-CD2 4.4Å; L577-F660 HydrophobicContact CB-CE2 4.11Å; L577-F660 HydrophobicContact CD2-CE2 3.76Å; L577-F660 HydrophobicContact CD2-CZ 4.25Å; L577-F660 HydrophobicContact CG-CE2 4.39Å; Q578-F660 PolarHBondContact O-N 3.11Å; V579-F660 HydrophobicContact CG1-CB 4.15Å; V579-F660 HydrophobicContact CG1-CD2 3.94Å; V579-F660 HydrophobicContact CG1-CG 4.23Å; Q583-F660 PolarHBondContact NE2-O 2.92Å; L621-F660 HydrophobicContact CD2-CD1 4.03Å; L621-F660 HydrophobicContact CD2-CG 4.36Å; Q627-F660 HydrophobicContact CB-CE1 4.31Å; Q627-F660 WeakPolarHBondContact O-CE1 3Å; V629-F660 HydrophobicContact CB-CE1 4.48Å; V629-F660 HydrophobicContact CG1-CE1 3.78Å; V629-F660 HydrophobicContact CG1-CE2 4.43Å; V629-F660 HydrophobicContact CG1-CZ 3.44Å; V629-F660 VanDerWaalsContact CG1-CZ 3.44Å; V629-F660 HydrophobicContact CG2-CE1 3.92Å; V629-F660 HydrophobicContact CG2-CZ 4.32Å; F651-F660 HydrophobicContact CZ-CZ 4.34Å; I658-F660 HydrophobicContact CB-CE2 3.85Å; I658-F660 HydrophobicContact CG2-CD2 4.31Å; I658-F660 HydrophobicContact CG2-CE2 3.5Å; I658-F660 HydrophobicContact CG2-CZ 3.81Å; F660-Q662 VanDerWaalsContact C-N 3.29Å; F660-Q662 PolarHBondContact O-N 3.12Å; F660-Q662 VanDerWaalsContact O-N 3.09Å
661	N	61.9	Low	75	Confident	11 Å²	11	80.3 Å²	80.3	6%	0.059	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	16.8	-167.3	-61.6	3	0	0	0	115.6	V579 S580 Q583 L665	V579-N661 WeakPolarHBondContact CA-OD1 3.35Å; V579-N661 PolarHBondContact O-ND2 2.94Å; S580-N661 PolarHBondContact N-ND2 3.48Å; S580-N661 PolarHBondContact N-OD1 3.16Å; Q583-N661 PolarHBondContact OE1-OD1 2.87Å; N661-L665 HydrophobicContact CB-CD1 4.4Å; N661-L665 WeakPolarHBondContact O-CD1 3.37Å; N661-L665 VanDerWaalsContact O-CG 3.26Å; N661-L665 WeakPolarHBondContact O-CG 3.4Å
662	Q	54.8	Low	74.6	Confident	151 Å²	151	81.7 Å²	81.7	71%	0.706	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-33.2	-174.4	-73.9	-170.2	1.7	0	0	113.4	F660	F660-Q662 VanDerWaalsContact C-N 3.29Å; F660-Q662 PolarHBondContact O-N 3.12Å; F660-Q662 VanDerWaalsContact O-N 3.09Å
663	V	52.1	Low	74.5	Confident	88 Å²	88	79 Å²	79	53%	0.533	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-39.7	-174.5	-177.7	0	0	0	0	112	L665	V663-L665 PolarHBondContact O-N 3.48Å
664	Q	54	Low	74.4	Confident	24 Å²	24	79.7 Å²	79.7	11%	0.112	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.7	-177.3	-73.7	177.7	-25.3	0	0	114.1	S580 E613 R616 T617	S580-Q664 VanDerWaalsContact CB-OE1 3.25Å; S580-Q664 PolarHBondContact OG-OE1 3.24Å; E613-Q664 PolarHBondContact OE1-NE2 3.23Å; R616-Q664 HydrophobicContact CG-CG 4.16Å; R616-Q664 PolarHBondContact NH1-O 3.33Å; T617-Q664 PolarHBondContact OG1-NE2 3.33Å
665	L	56.7	Low	74.3	Confident	41 Å²	41	69.3 Å²	69.3	22%	0.215	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-14.3	-173.4	-65.3	173.9	0	0	0	114.6	L451 K453 N661 V663 E667	L451-L665 HydrophobicContact CD1-CD1 4.01Å; L451-L665 HydrophobicContact CD1-CD2 3.17Å; L451-L665 HydrophobicContact CD1-CG 4.25Å; K453-L665 HydrophobicContact CD-CD1 4.07Å; K453-L665 VanDerWaalsContact CE-CD1 3.46Å; N661-L665 HydrophobicContact CB-CD1 4.4Å; N661-L665 WeakPolarHBondContact O-CD1 3.37Å; N661-L665 VanDerWaalsContact O-CG 3.26Å; N661-L665 WeakPolarHBondContact O-CG 3.4Å; V663-L665 PolarHBondContact O-N 3.48Å; L665-E667 PolarHBondContact O-N 3.13Å
666	K	61.9	Low	74.2	Confident	165 Å²	165	67.2 Å²	67.2	72%	0.717	33%	0.329	S	S	*	.	S	Bend	trans	-67.1	117.4	171	-74.8	-171	174.6	-173.9	0	107.6	T668	K666-T668 PolarHBondContact O-N 3.41Å
667	E	67	Low	74	Confident	33 Å²	33	70.2 Å²	70.2	15%	0.154	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-54.7	133.3	171.2	-175.5	175.3	-132.9	0	0	109.3	K399 K443 L665 E671 Q672	K399-E667 WeakPolarHBondContact CE-OE2 3.09Å; K399-E667 IonicContact NZ-OE2 3.43Å; K399-E667 PolarHBondContact NZ-OE2 3.17Å; K443-E667 WeakPolarHBondContact CE-OE1 3.23Å; K443-E667 IonicContact NZ-OE1 3.54Å; K443-E667 PolarHBondContact NZ-OE1 3.25Å; L665-E667 PolarHBondContact O-N 3.13Å; E667-E671 HydrophobicContact CG-CB 3.79Å; E667-Q672 HydrophobicContact CG-CB 4.43Å
668	T	72.3	Confident	73.9	Confident	43 Å²	43	66.9 Å²	66.9	26%	0.264	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-81.2	153.8	175.3	58.9	0	0	0	0	110.3	K666 Q670 E671 Q672	K666-T668 PolarHBondContact O-N 3.41Å; T668-Q670 PolarHBondContact O-N 3.08Å; T668-E671 WeakPolarHBondContact O-CB 3.4Å; T668-E671 PolarHBondContact O-N 3.28Å; T668-E671 WeakPolarHBondContact OG1-CB 3.36Å; T668-E671 VanDerWaalsContact OG1-CG 3.28Å; T668-E671 WeakPolarHBondContact OG1-CG 3.36Å; T668-E671 PolarHBondContact OG1-N 3.36Å; T668-E671 PolarHBondContact OG1-OE1 3.17Å; T668-Q672 PolarHBondContact O-N 3.22Å
669	E	74.3	Confident	73.8	Confident	163 Å²	163	67.1 Å²	67.1	76%	0.762	33%	0.328	S	S	*	.	H	α-helix	trans	-55.6	-35.9	174.9	-69	178.8	177.4	0	0	111.7	Q672 V673	E669-Q672 WeakPolarHBondContact O-CB 3.5Å; E669-Q672 PolarHBondContact O-N 2.64Å; E669-V673 WeakPolarHBondContact O-CG2 3.47Å; E669-V673 PolarHBondContact O-N 3.31Å
670	Q	75.4	Confident	73.9	Confident	129 Å²	129	69.1 Å²	69.1	60%	0.603	34%	0.337	S	S	*	.	H	α-helix	trans	-61.9	-44.4	174.7	-68.1	177.8	-21.7	0	0	112.3	T668 Q672 V673 A674	T668-Q670 PolarHBondContact O-N 3.08Å; Q670-Q672 VanDerWaalsContact C-N 3.3Å; Q670-Q672 PolarHBondContact O-N 3.25Å; Q670-V673 PolarHBondContact O-N 3.15Å; Q670-A674 VanDerWaalsContact O-CB 3.31Å; Q670-A674 WeakPolarHBondContact O-CB 3.43Å; Q670-A674 PolarHBondContact O-N 3.19Å
671	E	78.3	Confident	74.3	Confident	65 Å²	65	71.2 Å²	71.2	30%	0.304	36%	0.356	S	S	.	.	H	α-helix	trans	-66.2	-33.4	176.6	-84.4	171.8	-128	0	0	113	K443 E667 T668 T675	K443-E671 PolarHBondContact NZ-O 3.17Å; K443-E671 IonicContact NZ-OE2 3.93Å; E667-E671 HydrophobicContact CG-CB 3.79Å; T668-E671 WeakPolarHBondContact O-CB 3.4Å; T668-E671 PolarHBondContact O-N 3.28Å; T668-E671 WeakPolarHBondContact OG1-CB 3.36Å; T668-E671 VanDerWaalsContact OG1-CG 3.28Å; T668-E671 WeakPolarHBondContact OG1-CG 3.36Å; T668-E671 PolarHBondContact OG1-N 3.36Å; T668-E671 PolarHBondContact OG1-OE1 3.17Å; E671-T675 PolarHBondContact O-N 3.44Å; E671-T675 VanDerWaalsContact O-N 3.12Å; E671-T675 PolarHBondContact O-OG1 3.09Å
672	Q	82.2	Confident	75.5	Confident	33 Å²	33	74.5 Å²	74.5	15%	0.154	37%	0.374	C	S	.	.	H	α-helix	trans	-67.7	-51.1	175.9	176	179.5	-12.4	0	0	110.4	E395 F440 E667 T668 E669 Q670 A674 T675 E676	E395-Q672 VanDerWaalsContact OE1-CD 3.23Å; E395-Q672 PolarHBondContact OE1-NE2 3.37Å; E395-Q672 PolarHBondContact OE2-NE2 2.86Å; F440-Q672 HydrophobicContact CE1-CB 4.48Å; F440-Q672 HydrophobicContact CE1-CG 4Å; F440-Q672 HydrophobicContact CZ-CG 3.92Å; E667-Q672 HydrophobicContact CG-CB 4.43Å; T668-Q672 PolarHBondContact O-N 3.22Å; E669-Q672 WeakPolarHBondContact O-CB 3.5Å; E669-Q672 PolarHBondContact O-N 2.64Å; Q670-Q672 VanDerWaalsContact C-N 3.3Å; Q670-Q672 PolarHBondContact O-N 3.25Å; Q672-A674 VanDerWaalsContact C-N 3.33Å; Q672-A674 PolarHBondContact O-N 2.66Å; Q672-T675 WeakPolarHBondContact O-CB 3.36Å; Q672-T675 PolarHBondContact O-N 3.2Å; Q672-E676 PolarHBondContact O-N 3.48Å
673	V	84	Confident	77.1	Confident	73 Å²	73	68.9 Å²	68.9	44%	0.442	35%	0.346	S	S	.	.	H	α-helix	trans	-58.4	-45.1	176	173.3	0	0	0	0	110.9	E669 Q670 T675 E676 E677	E669-V673 WeakPolarHBondContact O-CG2 3.47Å; E669-V673 PolarHBondContact O-N 3.31Å; Q670-V673 PolarHBondContact O-N 3.15Å; V673-T675 PolarHBondContact O-N 3.22Å; V673-E676 PolarHBondContact O-N 2.98Å; V673-E676 VanDerWaalsContact O-N 3.08Å; V673-E677 HydrophobicContact CG1-CG 4.16Å; V673-E677 WeakPolarHBondContact O-CG 3.44Å; V673-E677 PolarHBondContact O-N 2.87Å
674	A	85.2	Confident	78.7	Confident	38 Å²	38	66.3 Å²	66.3	31%	0.314	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-28.8	177.3	0	0	0	0	0	113.2	Q670 Q672 R678	Q670-A674 VanDerWaalsContact O-CB 3.31Å; Q670-A674 WeakPolarHBondContact O-CB 3.43Å; Q670-A674 PolarHBondContact O-N 3.19Å; Q672-A674 VanDerWaalsContact C-N 3.33Å; Q672-A674 PolarHBondContact O-N 2.66Å; A674-R678 WeakPolarHBondContact O-CB 3.3Å; A674-R678 PolarHBondContact O-N 3.1Å; A674-R678 VanDerWaalsContact O-N 3.16Å
675	T	85.1	Confident	80.4	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-73.4	-43.4	174.7	-55	0	0	0	0	110.3	A439 F440 K443 E671 Q672 V673 R678 V679	A439-T675 HydrophobicContact CB-CG2 3.97Å; F440-T675 HydrophobicContact CD1-CG2 4.19Å; F440-T675 HydrophobicContact CE1-CG2 4Å; F440-T675 HydrophobicContact CE2-CG2 4.34Å; F440-T675 HydrophobicContact CG-CG2 4.44Å; F440-T675 HydrophobicContact CZ-CG2 4.07Å; K443-T675 PolarHBondContact NZ-OG1 3.34Å; E671-T675 PolarHBondContact O-N 3.44Å; E671-T675 VanDerWaalsContact O-N 3.12Å; E671-T675 PolarHBondContact O-OG1 3.09Å; Q672-T675 WeakPolarHBondContact O-CB 3.36Å; Q672-T675 PolarHBondContact O-N 3.2Å; V673-T675 PolarHBondContact O-N 3.22Å; T675-R678 PolarHBondContact O-N 2.92Å; T675-V679 WeakPolarHBondContact O-CG2 3.38Å; T675-V679 PolarHBondContact O-N 3.2Å; T675-V679 VanDerWaalsContact O-N 3.13Å
676	E	85.4	Confident	81.9	Confident	40 Å²	40	70.8 Å²	70.8	19%	0.187	36%	0.358	C	S	.	.	H	α-helix	trans	-62.1	-45.8	174.7	-64.9	-169.2	-146.3	0	0	112.1	N391 K392 F440 Q672 V673 R678 V679 F680	N391-E676 PolarHBondContact ND2-OE2 2.92Å; K392-E676 IonicContact NZ-OE1 3.65Å; K392-E676 PolarHBondContact NZ-OE1 3.39Å; F440-E676 HydrophobicContact CE2-CG 4.07Å; F440-E676 HydrophobicContact CZ-CG 3.95Å; Q672-E676 PolarHBondContact O-N 3.48Å; V673-E676 PolarHBondContact O-N 2.98Å; V673-E676 VanDerWaalsContact O-N 3.08Å; E676-R678 VanDerWaalsContact C-N 3.31Å; E676-R678 PolarHBondContact O-N 2.89Å; E676-V679 PolarHBondContact O-N 3.26Å; E676-F680 PolarHBondContact O-N 3.45Å
677	E	86.5	Confident	83.3	Confident	125 Å²	125	63 Å²	63	58%	0.584	32%	0.324	S	S	*	.	H	α-helix	trans	-61.1	-38.9	177.8	-73.9	179.1	168.1	0	0	112.2	V673 F680 A681	V673-E677 HydrophobicContact CG1-CG 4.16Å; V673-E677 WeakPolarHBondContact O-CG 3.44Å; V673-E677 PolarHBondContact O-N 2.87Å; E677-F680 WeakPolarHBondContact O-CB 3.42Å; E677-F680 PolarHBondContact O-N 2.92Å; E677-A681 PolarHBondContact O-N 3.38Å
678	R	86.2	Confident	84.6	Confident	89 Å²	89	62.4 Å²	62.4	34%	0.336	32%	0.322	S	S	.	.	H	α-helix	trans	-63.6	-46.7	175.5	-173.3	-172.1	-53.5	126.4	10.3	111.4	P520 A674 T675 E676 F680 A681 D682	P520-R678 VanDerWaalsContact CG-NH2 3.31Å; A674-R678 WeakPolarHBondContact O-CB 3.3Å; A674-R678 PolarHBondContact O-N 3.1Å; A674-R678 VanDerWaalsContact O-N 3.16Å; T675-R678 PolarHBondContact O-N 2.92Å; E676-R678 VanDerWaalsContact C-N 3.31Å; E676-R678 PolarHBondContact O-N 2.89Å; R678-F680 PolarHBondContact O-N 3.11Å; R678-A681 PolarHBondContact O-N 2.92Å; R678-A681 VanDerWaalsContact O-N 3.14Å; R678-D682 PolarHBondContact O-N 3.15Å
679	V	86.2	Confident	85.5	Confident	8 Å²	8	64.4 Å²	64.4	5%	0.048	34%	0.337	C	S	.	.	H	α-helix	trans	-60.7	-39.9	177.3	176.6	0	0	0	0	110.1	D435 I436 A439 T675 E676 D682 R683	D435-V679 HydrophobicContact CB-CG1 4.22Å; D435-V679 WeakPolarHBondContact OD2-CG1 3.48Å; I436-V679 HydrophobicContact CD1-CB 3.76Å; I436-V679 HydrophobicContact CD1-CG1 3.52Å; I436-V679 HydrophobicContact CD1-CG2 4.17Å; I436-V679 HydrophobicContact CG1-CG1 4.08Å; A439-V679 HydrophobicContact CB-CG2 3.36Å; T675-V679 WeakPolarHBondContact O-CG2 3.38Å; T675-V679 PolarHBondContact O-N 3.2Å; T675-V679 VanDerWaalsContact O-N 3.13Å; E676-V679 PolarHBondContact O-N 3.26Å; V679-D682 PolarHBondContact O-N 3.23Å; V679-R683 WeakPolarHBondContact O-CG 3.38Å; V679-R683 PolarHBondContact O-N 3.35Å
680	F	85.5	Confident	86.4	Confident	123 Å²	123	56.8 Å²	56.8	54%	0.539	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-43.3	174.6	-176.5	-97.8	0	0	0	112.7	E676 E677 R678 D682 R683 V684	E676-F680 PolarHBondContact O-N 3.45Å; E677-F680 WeakPolarHBondContact O-CB 3.42Å; E677-F680 PolarHBondContact O-N 2.92Å; R678-F680 PolarHBondContact O-N 3.11Å; F680-D682 VanDerWaalsContact C-N 3.34Å; F680-D682 PolarHBondContact O-N 3.21Å; F680-R683 WeakPolarHBondContact O-CB 3.17Å; F680-R683 PolarHBondContact O-N 3.39Å; F680-V684 HydrophobicContact CD1-CG2 4.28Å; F680-V684 HydrophobicContact CE1-CG2 3.87Å; F680-V684 HydrophobicContact CZ-CG2 4.1Å; F680-V684 WeakPolarHBondContact O-CG2 3.48Å; F680-V684 PolarHBondContact O-N 2.86Å
681	A	86.4	Confident	87.3	Confident	54 Å²	54	50.7 Å²	50.7	45%	0.446	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-41	175.1	0	0	0	0	0	112.1	E677 R678 V684 A685	E677-A681 PolarHBondContact O-N 3.38Å; R678-A681 PolarHBondContact O-N 2.92Å; R678-A681 VanDerWaalsContact O-N 3.14Å; A681-V684 WeakPolarHBondContact O-CB 3.15Å; A681-V684 PolarHBondContact O-N 2.91Å; A681-A685 PolarHBondContact O-N 2.84Å
682	D	86	Confident	88.1	Confident	79 Å²	79	48.5 Å²	48.5	42%	0.422	26%	0.264	S	S	.	.	H	α-helix	trans	-64.8	-41.9	176	-73.9	-9.8	0	0	0	111.3	R678 V679 F680 V684 A685 H686	R678-D682 PolarHBondContact O-N 3.15Å; V679-D682 PolarHBondContact O-N 3.23Å; F680-D682 VanDerWaalsContact C-N 3.34Å; F680-D682 PolarHBondContact O-N 3.21Å; D682-V684 VanDerWaalsContact C-N 3.32Å; D682-V684 PolarHBondContact O-N 2.82Å; D682-A685 PolarHBondContact O-N 2.67Å; D682-H686 WeakPolarHBondContact O-CB 3.5Å; D682-H686 PolarHBondContact O-N 3.09Å
683	R	87.8	Confident	88.7	Confident	34 Å²	34	53.9 Å²	53.9	13%	0.128	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-46.2	172.1	-75.1	180	-178.7	176.6	4	111.2	D435 V679 F680 H686 V687 F716	D435-R683 VanDerWaalsContact CG-NH2 3.35Å; D435-R683 IonicContact OD1-CZ 2.71Å; D435-R683 IonicContact OD1-NE 3.7Å; D435-R683 IonicContact OD1-NH2 3.35Å; D435-R683 PolarHBondContact OD1-NH2 2.77Å; D435-R683 WeakPolarHBondContact OD2-CG 3.42Å; D435-R683 IonicContact OD2-CZ 2.7Å; D435-R683 IonicContact OD2-NE 3.62Å; D435-R683 PolarHBondContact OD2-NE 2.96Å; D435-R683 IonicContact OD2-NH2 3.85Å; D435-R683 PolarHBondContact OD2-NH2 2.94Å; V679-R683 WeakPolarHBondContact O-CG 3.38Å; V679-R683 PolarHBondContact O-N 3.35Å; F680-R683 WeakPolarHBondContact O-CB 3.17Å; F680-R683 PolarHBondContact O-N 3.39Å; R683-H686 PolarHBondContact O-N 3.39Å; R683-V687 VanDerWaalsContact O-CG2 3.27Å; R683-V687 WeakPolarHBondContact O-CG2 3.41Å; R683-V687 PolarHBondContact O-N 3.17Å; R683-F716 HydrophobicContact CB-CD2 4.24Å; R683-F716 HydrophobicContact CB-CE2 3.6Å; R683-F716 HydrophobicContact CB-CZ 3.85Å; R683-F716 HydrophobicContact CG-CD1 4.44Å; R683-F716 HydrophobicContact CG-CD2 3.69Å; R683-F716 HydrophobicContact CG-CE1 4.36Å; R683-F716 HydrophobicContact CG-CE2 3.56Å; R683-F716 HydrophobicContact CG-CG 4.13Å; R683-F716 HydrophobicContact CG-CZ 3.93Å
684	V	87.6	Confident	89.2	Confident	33 Å²	33	50.6 Å²	50.6	20%	0.2	26%	0.263	C	S	.	.	H	α-helix	trans	-59.5	-48.1	177.6	165.5	0	0	0	0	111.1	F680 A681 D682 H686 V687 D688	F680-V684 HydrophobicContact CD1-CG2 4.28Å; F680-V684 HydrophobicContact CE1-CG2 3.87Å; F680-V684 HydrophobicContact CZ-CG2 4.1Å; F680-V684 WeakPolarHBondContact O-CG2 3.48Å; F680-V684 PolarHBondContact O-N 2.86Å; A681-V684 WeakPolarHBondContact O-CB 3.15Å; A681-V684 PolarHBondContact O-N 2.91Å; D682-V684 VanDerWaalsContact C-N 3.32Å; D682-V684 PolarHBondContact O-N 2.82Å; V684-H686 VanDerWaalsContact C-N 3.34Å; V684-H686 PolarHBondContact O-N 2.82Å; V684-V687 PolarHBondContact O-N 3.23Å; V684-D688 PolarHBondContact O-N 3.21Å
685	A	88.4	Confident	89.7	Confident	47 Å²	47	48.8 Å²	48.8	39%	0.388	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-37.2	177.7	0	0	0	0	0	112.5	A681 D682 D688 C689	A681-A685 PolarHBondContact O-N 2.84Å; D682-A685 PolarHBondContact O-N 2.67Å; A685-D688 PolarHBondContact O-N 3.15Å; A685-C689 WeakPolarHBondContact O-CB 3.48Å; A685-C689 PolarHBondContact O-N 3.39Å; A685-C689 PolarHBondContact O-SG 2.87Å
686	H	88.5	Confident	90.1	Very high	112 Å²	112	53.6 Å²	53.6	52%	0.519	27%	0.269	S	S	.	.	H	α-helix	trans	-65.5	-41.4	174.4	-79.7	167.6	0	0	0	112.6	D682 R683 V684 C689 C690 L714 F716	D682-H686 WeakPolarHBondContact O-CB 3.5Å; D682-H686 PolarHBondContact O-N 3.09Å; R683-H686 PolarHBondContact O-N 3.39Å; V684-H686 VanDerWaalsContact C-N 3.34Å; V684-H686 PolarHBondContact O-N 2.82Å; H686-C689 PolarHBondContact O-N 3.41Å; H686-C690 WeakPolarHBondContact O-CB 3.47Å; H686-C690 PolarHBondContact O-N 2.91Å; H686-L714 HydrophobicContact CB-CD2 4.45Å; H686-F716 HydrophobicContact CB-CE1 4.1Å; H686-F716 HydrophobicContact CB-CZ 4.16Å
687	V	92.2	Very high	90.6	Very high	3 Å²	3	57 Å²	57	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-47.8	175	176.5	0	0	0	0	110.1	R683 V684 C689 C690 I691 L714 F716 L718 R726	R683-V687 VanDerWaalsContact O-CG2 3.27Å; R683-V687 WeakPolarHBondContact O-CG2 3.41Å; R683-V687 PolarHBondContact O-N 3.17Å; V684-V687 PolarHBondContact O-N 3.23Å; V687-C689 PolarHBondContact O-N 3.11Å; V687-C690 PolarHBondContact O-N 2.98Å; V687-I691 HydrophobicContact CG1-CD1 3.64Å; V687-I691 HydrophobicContact CG1-CG1 4.3Å; V687-I691 WeakPolarHBondContact O-CG1 3.33Å; V687-I691 PolarHBondContact O-N 3.39Å; V687-L714 HydrophobicContact CB-CD1 4.21Å; V687-L714 HydrophobicContact CG2-CD1 3.65Å; V687-F716 HydrophobicContact CG2-CE2 4.22Å; V687-F716 HydrophobicContact CG2-CZ 4.04Å; V687-L718 HydrophobicContact CG2-CD1 4.02Å; V687-L718 HydrophobicContact CG2-CD2 3.51Å; V687-L718 HydrophobicContact CG2-CG 4.4Å; V687-R726 HydrophobicContact CB-CG 4.11Å; V687-R726 HydrophobicContact CG1-CB 3.82Å; V687-R726 HydrophobicContact CG1-CG 3.58Å
688	D	92.6	Very high	90.9	Very high	19 Å²	19	58 Å²	58	10%	0.102	29%	0.291	C	S	.	.	H	α-helix	trans	-58.6	-50.8	177.9	-74.7	0.8	0	0	0	111.6	V684 A685 C690 I691 V692 R726 L730 R733	V684-D688 PolarHBondContact O-N 3.21Å; A685-D688 PolarHBondContact O-N 3.15Å; D688-C690 VanDerWaalsContact C-N 3.27Å; D688-C690 PolarHBondContact O-N 2.78Å; D688-I691 PolarHBondContact O-N 3.06Å; D688-V692 WeakPolarHBondContact O-CB 3.45Å; D688-V692 VanDerWaalsContact O-CG2 3.31Å; D688-V692 WeakPolarHBondContact O-CG2 3.35Å; D688-V692 PolarHBondContact O-N 3.23Å; D688-R726 VanDerWaalsContact CG-NH2 3.26Å; D688-R726 IonicContact OD1-CZ 3.18Å; D688-R726 VanDerWaalsContact OD1-CZ 3.32Å; D688-R726 IonicContact OD1-NE 3.64Å; D688-R726 PolarHBondContact OD1-NE 3.22Å; D688-R726 IonicContact OD1-NH2 2.91Å; D688-R726 PolarHBondContact OD1-NH2 2.69Å; D688-R726 VanDerWaalsContact OD1-NH2 3.1Å; D688-R726 IonicContact OD2-CZ 3.39Å; D688-R726 IonicContact OD2-NE 2.79Å; D688-R726 IonicContact OD2-NH2 2.71Å; D688-R726 PolarHBondContact OD2-NH2 2.85Å; D688-L730 HydrophobicContact CB-CD2 4.29Å; D688-R733 IonicContact OD2-NH1 3.03Å
689	C	91.7	Very high	91.3	Very high	85 Å²	85	59.2 Å²	59.2	57%	0.574	30%	0.299	S	S	*	.	H	α-helix	trans	-58.1	-40.8	177.7	-73.5	0	0	0	0	111.9	A685 H686 V687 R693	A685-C689 WeakPolarHBondContact O-CB 3.48Å; A685-C689 PolarHBondContact O-N 3.39Å; A685-C689 PolarHBondContact O-SG 2.87Å; H686-C689 PolarHBondContact O-N 3.41Å; V687-C689 PolarHBondContact O-N 3.11Å; C689-R693 VanDerWaalsContact O-CB 3.25Å; C689-R693 WeakPolarHBondContact O-CB 3.37Å; C689-R693 PolarHBondContact O-N 2.79Å
690	C	93.3	Very high	91.7	Very high	4 Å²	4	62.2 Å²	62.2	3%	0.027	32%	0.317	C	S	.	.	H	α-helix	trans	-66	-49.3	178.9	-179	0	0	0	0	111.5	H686 V687 D688 V692 R693 I694 Q713 L714	H686-C690 WeakPolarHBondContact O-CB 3.47Å; H686-C690 PolarHBondContact O-N 2.91Å; V687-C690 PolarHBondContact O-N 2.98Å; D688-C690 VanDerWaalsContact C-N 3.27Å; D688-C690 PolarHBondContact O-N 2.78Å; C690-V692 PolarHBondContact O-N 3.04Å; C690-R693 PolarHBondContact O-N 3.34Å; C690-I694 WeakPolarHBondContact O-CG1 3.46Å; C690-I694 PolarHBondContact O-N 2.84Å; C690-Q713 PolarHBondContact SG-OE1 3.22Å; C690-L714 HydrophobicContact CB-CD1 4.19Å; C690-L714 HydrophobicContact CB-CD2 3.97Å; C690-L714 HydrophobicContact CB-CG 4.21Å
691	I	95.3	Very high	92.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-50	177.2	-66.3	165.3	0	0	0	110	V687 D688 R693 I694 M695 L706 V710 V723 R726 I727 L730 M736	V687-I691 HydrophobicContact CG1-CD1 3.64Å; V687-I691 HydrophobicContact CG1-CG1 4.3Å; V687-I691 WeakPolarHBondContact O-CG1 3.33Å; V687-I691 PolarHBondContact O-N 3.39Å; D688-I691 PolarHBondContact O-N 3.06Å; I691-R693 VanDerWaalsContact C-N 3.3Å; I691-R693 PolarHBondContact O-N 2.9Å; I691-I694 PolarHBondContact O-N 3.23Å; I691-M695 HydrophobicContact CG2-CG 4.11Å; I691-M695 WeakPolarHBondContact O-CB 3.42Å; I691-M695 VanDerWaalsContact O-CG 3.29Å; I691-M695 WeakPolarHBondContact O-CG 3.33Å; I691-M695 PolarHBondContact O-N 2.68Å; I691-L706 HydrophobicContact CG2-CD1 4.4Å; I691-L706 HydrophobicContact CG2-CD2 4.3Å; I691-V710 HydrophobicContact CG1-CG2 3.78Å; I691-V723 HydrophobicContact CD1-CG1 4.22Å; I691-R726 HydrophobicContact CD1-CB 3.94Å; I691-I727 HydrophobicContact CD1-CG1 3.93Å; I691-L730 HydrophobicContact CB-CD1 3.67Å; I691-L730 HydrophobicContact CD1-CD1 3.93Å; I691-L730 HydrophobicContact CG1-CD1 4.43Å; I691-L730 HydrophobicContact CG2-CD1 3.47Å; I691-L730 VanDerWaalsContact CG2-CD1 3.47Å; I691-M736 HydrophobicContact CG2-SD 3.84Å
692	V	94.5	Very high	92.7	Very high	20 Å²	20	57.3 Å²	57.3	12%	0.121	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-40	179.6	172	0	0	0	0	111.2	D688 C690 M695 K696 L730 Y735	D688-V692 WeakPolarHBondContact O-CB 3.45Å; D688-V692 VanDerWaalsContact O-CG2 3.31Å; D688-V692 WeakPolarHBondContact O-CG2 3.35Å; D688-V692 PolarHBondContact O-N 3.23Å; C690-V692 PolarHBondContact O-N 3.04Å; V692-M695 PolarHBondContact O-N 3.5Å; V692-K696 HydrophobicContact CG1-CD 4.01Å; V692-K696 HydrophobicContact CG1-CG 4.34Å; V692-K696 VanDerWaalsContact O-CB 3.31Å; V692-K696 WeakPolarHBondContact O-CB 3.34Å; V692-K696 VanDerWaalsContact O-CG 3.27Å; V692-K696 WeakPolarHBondContact O-CG 3.35Å; V692-K696 PolarHBondContact O-N 3.24Å; V692-L730 HydrophobicContact CG2-CD1 4.2Å; V692-L730 HydrophobicContact CG2-CD2 3.82Å; V692-Y735 HydrophobicContact CG1-CD1 4.43Å; V692-Y735 HydrophobicContact CG2-CD1 4.14Å; V692-Y735 HydrophobicContact CG2-CG 4.22Å
693	R	94.4	Very high	93.2	Very high	146 Å²	146	55.4 Å²	55.4	55%	0.551	28%	0.277	S	S	*	.	H	α-helix	trans	-62.2	-47.7	175.6	-178.9	173.1	65.6	-169.8	-1.8	111.7	C689 C690 I691 K696 T697	C689-R693 VanDerWaalsContact O-CB 3.25Å; C689-R693 WeakPolarHBondContact O-CB 3.37Å; C689-R693 PolarHBondContact O-N 2.79Å; C690-R693 PolarHBondContact O-N 3.34Å; I691-R693 VanDerWaalsContact C-N 3.3Å; I691-R693 PolarHBondContact O-N 2.9Å; R693-K696 PolarHBondContact O-N 2.99Å; R693-T697 PolarHBondContact O-N 2.97Å; R693-T697 VanDerWaalsContact O-N 3.16Å; R693-T697 PolarHBondContact O-OG1 2.92Å
694	I	95.5	Very high	93.5	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-59.7	-49.5	177.1	-68.4	161.4	0	0	0	110.1	C690 I691 K696 T697 R698 I701 L706 E709 V710	C690-I694 WeakPolarHBondContact O-CG1 3.46Å; C690-I694 PolarHBondContact O-N 2.84Å; I691-I694 PolarHBondContact O-N 3.23Å; I694-K696 PolarHBondContact O-N 3.38Å; I694-T697 PolarHBondContact O-N 3.25Å; I694-T697 VanDerWaalsContact O-N 3.16Å; I694-R698 HydrophobicContact CG2-CG 4.18Å; I694-R698 WeakPolarHBondContact O-CB 3.47Å; I694-R698 PolarHBondContact O-N 3.41Å; I694-I701 HydrophobicContact CG2-CD1 4.08Å; I694-L706 HydrophobicContact CB-CD1 4.17Å; I694-L706 HydrophobicContact CD1-CD1 4.24Å; I694-L706 HydrophobicContact CG2-CD1 3.71Å; I694-E709 HydrophobicContact CD1-CB 3.72Å; I694-E709 HydrophobicContact CG1-CB 4.3Å; I694-E709 HydrophobicContact CG2-CB 4.37Å; I694-E709 WeakPolarHBondContact CG2-OE2 3.4Å; I694-V710 HydrophobicContact CD1-CG2 3.72Å
695	M	95	Very high	93.8	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-41.9	179.5	-71.2	-54.1	-58.2	0	0	112.1	I691 V692 T697 K699 I701 L706 M736 Y748	I691-M695 HydrophobicContact CG2-CG 4.11Å; I691-M695 WeakPolarHBondContact O-CB 3.42Å; I691-M695 VanDerWaalsContact O-CG 3.29Å; I691-M695 WeakPolarHBondContact O-CG 3.33Å; I691-M695 PolarHBondContact O-N 2.68Å; V692-M695 PolarHBondContact O-N 3.5Å; M695-T697 VanDerWaalsContact C-N 3.28Å; M695-T697 PolarHBondContact O-N 2.94Å; M695-K699 VanDerWaalsContact O-CA 3.27Å; M695-K699 WeakPolarHBondContact O-CA 3.35Å; M695-K699 PolarHBondContact O-N 3.26Å; M695-I701 HydrophobicContact CE-CG2 4.22Å; M695-I701 HydrophobicContact SD-CG2 3.33Å; M695-I701 WeakPolarHBondContact SD-CG2 3.48Å; M695-L706 HydrophobicContact SD-CD2 4.48Å; M695-M736 HydrophobicContact CE-CB 4.36Å; M695-M736 HydrophobicContact CE-CE 4.29Å; M695-M736 HydrophobicContact CG-CE 4.16Å; M695-M736 HydrophobicContact CG-SD 4.15Å; M695-M736 HydrophobicContact SD-CE 4Å; M695-Y748 HydrophobicContact CB-CD2 3.9Å; M695-Y748 HydrophobicContact CB-CG 4.39Å; M695-Y748 VanDerWaalsContact CE-N 3.25Å; M695-Y748 WeakPolarHBondContact O-CB 3.49Å
696	K	94.3	Very high	94.1	Very high	101 Å²	101	58 Å²	58	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-59.1	-39	175.6	-83.3	177.8	175.8	-179.4	0	112.6	V692 R693 I694 K699 Y748	V692-K696 HydrophobicContact CG1-CD 4.01Å; V692-K696 HydrophobicContact CG1-CG 4.34Å; V692-K696 VanDerWaalsContact O-CB 3.31Å; V692-K696 WeakPolarHBondContact O-CB 3.34Å; V692-K696 VanDerWaalsContact O-CG 3.27Å; V692-K696 WeakPolarHBondContact O-CG 3.35Å; V692-K696 PolarHBondContact O-N 3.24Å; R693-K696 PolarHBondContact O-N 2.99Å; I694-K696 PolarHBondContact O-N 3.38Å; K696-K699 WeakPolarHBondContact O-CD 3.28Å; K696-K699 VanDerWaalsContact O-CE 3.26Å; K696-K699 WeakPolarHBondContact O-CE 3.4Å; K696-K699 PolarHBondContact O-NZ 3.25Å; K696-Y748 HydrophobicContact CD-CE2 4.34Å; K696-Y748 WeakPolarHBondContact CE-OH 3.41Å; K696-Y748 HydrophobicContact CG-CD1 4.45Å; K696-Y748 HydrophobicContact CG-CD2 4.01Å; K696-Y748 HydrophobicContact CG-CE1 3.92Å; K696-Y748 HydrophobicContact CG-CE2 3.43Å; K696-Y748 VanDerWaalsContact CG-CE2 3.43Å; K696-Y748 VanDerWaalsContact CG-CZ 3.43Å
697	T	94.1	Very high	94.3	Very high	111 Å²	111	53.7 Å²	53.7	68%	0.681	27%	0.271	S	S	*	.	H	α-helix	trans	-78.6	-47.3	-179.5	-58.8	0	0	0	0	112.3	R693 I694 M695	R693-T697 PolarHBondContact O-N 2.97Å; R693-T697 VanDerWaalsContact O-N 3.16Å; R693-T697 PolarHBondContact O-OG1 2.92Å; I694-T697 PolarHBondContact O-N 3.25Å; I694-T697 VanDerWaalsContact O-N 3.16Å; M695-T697 VanDerWaalsContact C-N 3.28Å; M695-T697 PolarHBondContact O-N 2.94Å
698	R	94	Very high	94.4	Very high	145 Å²	145	57.2 Å²	57.2	55%	0.547	30%	0.295	S	S	.	.	H	α-helix	trans	-81	-26.1	-174.7	-67	-68.8	-165.8	175.5	4.4	113.5	I694 T700 I701 E709	I694-R698 HydrophobicContact CG2-CG 4.18Å; I694-R698 WeakPolarHBondContact O-CB 3.47Å; I694-R698 PolarHBondContact O-N 3.41Å; R698-T700 PolarHBondContact O-N 3.17Å; R698-I701 HydrophobicContact CB-CB 4.4Å; R698-I701 HydrophobicContact CG-CD1 4.23Å; R698-E709 IonicContact CZ-OE1 2.71Å; R698-E709 IonicContact NE-OE1 3.1Å; R698-E709 PolarHBondContact NE-OE1 3.34Å; R698-E709 IonicContact NE-OE2 3.78Å; R698-E709 IonicContact NH2-OE1 2.69Å; R698-E709 PolarHBondContact NH2-OE1 2.74Å
699	K	94	Very high	94.4	Very high	116 Å²	116	58 Å²	58	50%	0.504	30%	0.299	S	S	.	.	S	Bend	trans	62.4	-46.3	-170.8	-54.9	-57.3	-172.7	-164.2	0	114.5	M695 K696 H747 Y748	M695-K699 VanDerWaalsContact O-CA 3.27Å; M695-K699 WeakPolarHBondContact O-CA 3.35Å; M695-K699 PolarHBondContact O-N 3.26Å; K696-K699 WeakPolarHBondContact O-CD 3.28Å; K696-K699 VanDerWaalsContact O-CE 3.26Å; K696-K699 WeakPolarHBondContact O-CE 3.4Å; K696-K699 PolarHBondContact O-NZ 3.25Å; K699-H747 CarbonylContact O-C 3.59Å; K699-H747 WeakPolarHBondContact O-CA 3.46Å; K699-Y748 HydrophobicContact CD-CD1 4.36Å; K699-Y748 PolarHBondContact O-N 3.29Å
700	T	95.4	Very high	94.5	Very high	70 Å²	70	54 Å²	54	43%	0.429	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.5	176.5	-56.1	0	0	0	0	109.1	R698 T745 Y746 H747	R698-T700 PolarHBondContact O-N 3.17Å; T700-T745 HydrophobicContact CG2-CG2 3.51Å; T700-Y746 VanDerWaalsContact CA-O 3.29Å; T700-Y746 WeakPolarHBondContact CA-O 3.48Å; T700-H747 WeakPolarHBondContact CG2-ND1 3.24Å; T700-H747 PolarHBondContact OG1-ND1 2.7Å
701	I	96.7	Very high	94.3	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.062	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	144.9	178.9	-167.2	166.3	0	0	0	110	I694 M695 R698 L706 Y746	I694-I701 HydrophobicContact CG2-CD1 4.08Å; M695-I701 HydrophobicContact CE-CG2 4.22Å; M695-I701 HydrophobicContact SD-CG2 3.33Å; M695-I701 WeakPolarHBondContact SD-CG2 3.48Å; R698-I701 HydrophobicContact CB-CB 4.4Å; R698-I701 HydrophobicContact CG-CD1 4.23Å; I701-L706 HydrophobicContact CD1-CB 4.19Å; I701-L706 HydrophobicContact CG1-CB 4.36Å; I701-L706 HydrophobicContact CG2-CB 3.99Å; I701-L706 HydrophobicContact CG2-CD1 4.39Å; I701-Y746 PolarHBondContact N-O 2.93Å; I701-Y746 PolarHBondContact O-N 3.28Å
702	D	96.3	Very high	94	Very high	63 Å²	63	67 Å²	67	34%	0.337	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	160.5	171.3	71.3	90.2	0	0	0	111.8	N704 S705 L706 A744	D702-N704 PolarHBondContact O-N 3.33Å; D702-N704 PolarHBondContact OD1-N 3.29Å; D702-N704 VanDerWaalsContact OD1-N 3.12Å; D702-S705 VanDerWaalsContact CG-OG 3.3Å; D702-S705 PolarHBondContact O-N 3.48Å; D702-S705 PolarHBondContact OD1-N 3.17Å; D702-S705 PolarHBondContact OD1-OG 2.69Å; D702-S705 WeakPolarHBondContact OD2-CB 3.43Å; D702-S705 PolarHBondContact OD2-OG 2.86Å; D702-L706 WeakPolarHBondContact O-CB 3.33Å; D702-L706 PolarHBondContact O-N 2.95Å; D702-A744 CarbonylContact C-O 3.53Å; D702-A744 WeakPolarHBondContact CA-O 3.47Å
703	H	95.1	Very high	93.7	Very high	38 Å²	38	69.5 Å²	69.5	18%	0.176	34%	0.336	C	S	.	.	H	α-helix	trans	-58.2	-43.9	-174.8	-174.9	83.3	0	0	0	113.6	L706 L707 A744 Y746	H703-L706 PolarHBondContact O-N 3.45Å; H703-L707 WeakPolarHBondContact NE2-CD1 3.45Å; H703-L707 WeakPolarHBondContact O-CG 3.36Å; H703-L707 PolarHBondContact O-N 3.39Å; H703-A744 PolarHBondContact N-O 2.9Å; H703-Y746 HydrophobicContact CB-CE2 3.83Å; H703-Y746 AromaticContact ND1-CE2 3.48Å; H703-Y746 WeakPolarHBondContact ND1-CE2 3.48Å; H703-Y746 AromaticContact ND1-CZ 3.59Å; H703-Y746 PolarHBondContact ND1-OH 3.08Å
704	N	94.2	Very high	93.2	Very high	119 Å²	119	63.8 Å²	63.8	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-70.7	-40.7	-176.4	-70	-26	0	0	0	110.9	D702 L706 L707 S708	D702-N704 PolarHBondContact O-N 3.33Å; D702-N704 PolarHBondContact OD1-N 3.29Å; D702-N704 VanDerWaalsContact OD1-N 3.12Å; N704-L706 VanDerWaalsContact C-N 3.35Å; N704-L707 PolarHBondContact O-N 2.88Å; N704-S708 WeakPolarHBondContact O-CB 3.39Å; N704-S708 PolarHBondContact O-N 3.3Å
705	S	95.1	Very high	92.1	Very high	50 Å²	50	72.8 Å²	72.8	35%	0.35	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-40.7	173.4	-63.2	0	0	0	0	112	D702 S708 E709	D702-S705 VanDerWaalsContact CG-OG 3.3Å; D702-S705 PolarHBondContact O-N 3.48Å; D702-S705 PolarHBondContact OD1-N 3.17Å; D702-S705 PolarHBondContact OD1-OG 2.69Å; D702-S705 WeakPolarHBondContact OD2-CB 3.43Å; D702-S705 PolarHBondContact OD2-OG 2.86Å; S705-S708 PolarHBondContact O-N 3.11Å; S705-E709 PolarHBondContact O-N 2.87Å
706	L	94.6	Very high	91.4	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.6	-48.8	175.9	177.8	59.2	0	0	0	111.5	I691 I694 M695 I701 D702 H703 N704 S708 E709 V710 I727 M736 Y746	I691-L706 HydrophobicContact CG2-CD1 4.4Å; I691-L706 HydrophobicContact CG2-CD2 4.3Å; I694-L706 HydrophobicContact CB-CD1 4.17Å; I694-L706 HydrophobicContact CD1-CD1 4.24Å; I694-L706 HydrophobicContact CG2-CD1 3.71Å; M695-L706 HydrophobicContact SD-CD2 4.48Å; I701-L706 HydrophobicContact CD1-CB 4.19Å; I701-L706 HydrophobicContact CG1-CB 4.36Å; I701-L706 HydrophobicContact CG2-CB 3.99Å; I701-L706 HydrophobicContact CG2-CD1 4.39Å; D702-L706 WeakPolarHBondContact O-CB 3.33Å; D702-L706 PolarHBondContact O-N 2.95Å; H703-L706 PolarHBondContact O-N 3.45Å; N704-L706 VanDerWaalsContact C-N 3.35Å; L706-S708 VanDerWaalsContact C-N 3.3Å; L706-S708 PolarHBondContact O-N 3.33Å; L706-E709 PolarHBondContact O-N 3.25Å; L706-V710 HydrophobicContact CD1-CG2 4.02Å; L706-V710 HydrophobicContact CG-CG2 4.36Å; L706-V710 VanDerWaalsContact O-CG2 3.28Å; L706-V710 WeakPolarHBondContact O-CG2 3.46Å; L706-V710 PolarHBondContact O-N 3Å; L706-I727 HydrophobicContact CD2-CD1 3.73Å; L706-I727 HydrophobicContact CD2-CG1 4.07Å; L706-M736 HydrophobicContact CD2-CE 4.24Å; L706-Y746 HydrophobicContact CD2-CD2 3.87Å; L706-Y746 HydrophobicContact CD2-CE2 4.14Å
707	L	93	Very high	90.4	Very high	21 Å²	21	72.4 Å²	72.4	11%	0.11	36%	0.363	C	S	.	.	H	α-helix	trans	-57	-46.2	176.1	-72.9	-174.2	0	0	0	111.1	H703 N704 E709 V710 Y711 V723	H703-L707 WeakPolarHBondContact NE2-CD1 3.45Å; H703-L707 WeakPolarHBondContact O-CG 3.36Å; H703-L707 PolarHBondContact O-N 3.39Å; N704-L707 PolarHBondContact O-N 2.88Å; L707-E709 VanDerWaalsContact C-N 3.32Å; L707-E709 PolarHBondContact O-N 3.48Å; L707-V710 PolarHBondContact O-N 3.24Å; L707-Y711 HydrophobicContact CB-CD2 4.3Å; L707-Y711 HydrophobicContact CB-CE2 4.01Å; L707-Y711 WeakPolarHBondContact O-CB 3.47Å; L707-Y711 WeakPolarHBondContact O-CD2 3.49Å; L707-Y711 PolarHBondContact O-N 2.99Å; L707-V723 HydrophobicContact CD2-CB 3.82Å; L707-V723 HydrophobicContact CD2-CG1 3.47Å; L707-V723 VanDerWaalsContact CD2-CG1 3.47Å
708	S	92.7	Very high	89.7	Confident	77 Å²	77	68.7 Å²	68.7	54%	0.538	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-40	177.9	-174.5	0	0	0	0	112.6	N704 S705 L706 K712	N704-S708 WeakPolarHBondContact O-CB 3.39Å; N704-S708 PolarHBondContact O-N 3.3Å; S705-S708 PolarHBondContact O-N 3.11Å; L706-S708 VanDerWaalsContact C-N 3.3Å; L706-S708 PolarHBondContact O-N 3.33Å; S708-K712 VanDerWaalsContact O-CB 3.3Å; S708-K712 WeakPolarHBondContact O-CB 3.21Å; S708-K712 PolarHBondContact O-N 3.19Å; S708-K712 VanDerWaalsContact O-N 3.07Å
709	E	93.5	Very high	89.2	Confident	37 Å²	37	68.9 Å²	68.9	17%	0.173	34%	0.344	C	S	.	.	H	α-helix	trans	-71.5	-38.1	176.9	-75.6	-161.5	-156.9	0	0	112.8	I694 R698 S705 L706 L707 K712 Q713	I694-E709 HydrophobicContact CD1-CB 3.72Å; I694-E709 HydrophobicContact CG1-CB 4.3Å; I694-E709 HydrophobicContact CG2-CB 4.37Å; I694-E709 WeakPolarHBondContact CG2-OE2 3.4Å; R698-E709 IonicContact CZ-OE1 2.71Å; R698-E709 IonicContact NE-OE1 3.1Å; R698-E709 PolarHBondContact NE-OE1 3.34Å; R698-E709 IonicContact NE-OE2 3.78Å; R698-E709 IonicContact NH2-OE1 2.69Å; R698-E709 PolarHBondContact NH2-OE1 2.74Å; S705-E709 PolarHBondContact O-N 2.87Å; L706-E709 PolarHBondContact O-N 3.25Å; L707-E709 VanDerWaalsContact C-N 3.32Å; L707-E709 PolarHBondContact O-N 3.48Å; E709-K712 PolarHBondContact O-N 3.01Å; E709-Q713 WeakPolarHBondContact O-CG 3.45Å; E709-Q713 PolarHBondContact O-N 3.11Å; E709-Q713 VanDerWaalsContact O-N 3.11Å
710	V	93.5	Very high	88.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.3	-49.1	175.4	171.2	0	0	0	0	110.1	I691 I694 L706 L707 K712 Q713 L714 V723	I691-V710 HydrophobicContact CG1-CG2 3.78Å; I694-V710 HydrophobicContact CD1-CG2 3.72Å; L706-V710 HydrophobicContact CD1-CG2 4.02Å; L706-V710 HydrophobicContact CG-CG2 4.36Å; L706-V710 VanDerWaalsContact O-CG2 3.28Å; L706-V710 WeakPolarHBondContact O-CG2 3.46Å; L706-V710 PolarHBondContact O-N 3Å; L707-V710 PolarHBondContact O-N 3.24Å; V710-K712 PolarHBondContact O-N 3.39Å; V710-Q713 PolarHBondContact O-N 3.5Å; V710-Q713 VanDerWaalsContact O-N 3.1Å; V710-L714 HydrophobicContact CG1-CD1 3.58Å; V710-L714 HydrophobicContact CG1-CG 4.31Å; V710-L714 WeakPolarHBondContact O-CB 3.49Å; V710-L714 PolarHBondContact O-N 3.46Å; V710-V723 HydrophobicContact CG1-CG1 4.16Å; V710-V723 HydrophobicContact CG1-CG2 4.29Å
711	Y	89.9	Confident	88.4	Confident	94 Å²	94	65.4 Å²	65.4	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-28.9	176.9	-67.6	-47.7	0	0	0	113.3	L707 Q713 L718 A720 V723	L707-Y711 HydrophobicContact CB-CD2 4.3Å; L707-Y711 HydrophobicContact CB-CE2 4.01Å; L707-Y711 WeakPolarHBondContact O-CB 3.47Å; L707-Y711 WeakPolarHBondContact O-CD2 3.49Å; L707-Y711 PolarHBondContact O-N 2.99Å; Y711-Q713 VanDerWaalsContact C-N 3.35Å; Y711-L718 HydrophobicContact CD1-CB 4.5Å; Y711-L718 HydrophobicContact CE1-CB 3.98Å; Y711-A720 WeakPolarHBondContact OH-CA 3.41Å; Y711-A720 WeakPolarHBondContact OH-CB 3.46Å; Y711-A720 PolarHBondContact OH-N 2.86Å; Y711-A720 VanDerWaalsContact OH-N 3.11Å; Y711-V723 HydrophobicContact CE1-CG2 4.37Å
712	K	88	Confident	87.9	Confident	184 Å²	184	67.4 Å²	67.4	80%	0.8	35%	0.351	S	S	*	.	H	α-helix	trans	-72.7	-27.9	174.9	-171.6	175.4	-179.5	178.6	0	112.8	S708 E709 V710	S708-K712 VanDerWaalsContact O-CB 3.3Å; S708-K712 WeakPolarHBondContact O-CB 3.21Å; S708-K712 PolarHBondContact O-N 3.19Å; S708-K712 VanDerWaalsContact O-N 3.07Å; E709-K712 PolarHBondContact O-N 3.01Å; V710-K712 PolarHBondContact O-N 3.39Å
713	Q	87.7	Confident	87.7	Confident	71 Å²	71	64.4 Å²	64.4	33%	0.332	34%	0.335	S	S	.	.	H	α-helix	trans	-98.3	-27.5	-175.9	-69.7	-177.4	36.6	0	0	113.9	C690 E709 V710 Y711	C690-Q713 PolarHBondContact SG-OE1 3.22Å; E709-Q713 WeakPolarHBondContact O-CG 3.45Å; E709-Q713 PolarHBondContact O-N 3.11Å; E709-Q713 VanDerWaalsContact O-N 3.11Å; V710-Q713 PolarHBondContact O-N 3.5Å; V710-Q713 VanDerWaalsContact O-N 3.1Å; Y711-Q713 VanDerWaalsContact C-N 3.35Å
714	L	85.3	Confident	87.5	Confident	26 Å²	26	68 Å²	68	14%	0.136	35%	0.35	C	S	.	.			trans	-100.1	128	-179.1	-60.5	178.7	0	0	0	110.4	H686 V687 C690 V710 F716 L718	H686-L714 HydrophobicContact CB-CD2 4.45Å; V687-L714 HydrophobicContact CB-CD1 4.21Å; V687-L714 HydrophobicContact CG2-CD1 3.65Å; C690-L714 HydrophobicContact CB-CD1 4.19Å; C690-L714 HydrophobicContact CB-CD2 3.97Å; C690-L714 HydrophobicContact CB-CG 4.21Å; V710-L714 HydrophobicContact CG1-CD1 3.58Å; V710-L714 HydrophobicContact CG1-CG 4.31Å; V710-L714 WeakPolarHBondContact O-CB 3.49Å; V710-L714 PolarHBondContact O-N 3.46Å; L714-F716 HydrophobicContact CB-CE1 4.35Å; L714-F716 HydrophobicContact CD1-CZ 4.24Å; L714-F716 HydrophobicContact CD2-CE1 4.05Å; L714-F716 HydrophobicContact CD2-CZ 4.32Å; L714-L718 HydrophobicContact CB-CD1 3.63Å; L714-L718 HydrophobicContact CD1-CD1 3.4Å; L714-L718 HydrophobicContact CG-CD1 4.15Å
715	Q	72.6	Confident	87.4	Confident	193 Å²	193	69 Å²	69	90%	0.902	35%	0.349	S	S	*	.			trans	-98.7	-6.9	-172.9	-65.6	-175.2	-12.7	0	0	114.3
716	F	79.7	Confident	87.3	Confident	28 Å²	28	68.7 Å²	68.7	12%	0.123	34%	0.34	C	S	.	.	S	Bend	trans	-95.1	152.9	178.3	56.6	-97.1	0	0	0	111.1	R683 H686 V687 L714 L718	R683-F716 HydrophobicContact CB-CD2 4.24Å; R683-F716 HydrophobicContact CB-CE2 3.6Å; R683-F716 HydrophobicContact CB-CZ 3.85Å; R683-F716 HydrophobicContact CG-CD1 4.44Å; R683-F716 HydrophobicContact CG-CD2 3.69Å; R683-F716 HydrophobicContact CG-CE1 4.36Å; R683-F716 HydrophobicContact CG-CE2 3.56Å; R683-F716 HydrophobicContact CG-CG 4.13Å; R683-F716 HydrophobicContact CG-CZ 3.93Å; H686-F716 HydrophobicContact CB-CE1 4.1Å; H686-F716 HydrophobicContact CB-CZ 4.16Å; V687-F716 HydrophobicContact CG2-CE2 4.22Å; V687-F716 HydrophobicContact CG2-CZ 4.04Å; L714-F716 HydrophobicContact CB-CE1 4.35Å; L714-F716 HydrophobicContact CD1-CZ 4.24Å; L714-F716 HydrophobicContact CD2-CE1 4.05Å; L714-F716 HydrophobicContact CD2-CZ 4.32Å; F716-L718 HydrophobicContact CD2-CD1 3.94Å; F716-L718 HydrophobicContact CD2-CD2 4.36Å; F716-L718 HydrophobicContact CD2-CG 3.75Å; F716-L718 HydrophobicContact CE2-CD1 3.51Å; F716-L718 HydrophobicContact CE2-CD2 3.72Å; F716-L718 HydrophobicContact CE2-CG 3.49Å; F716-L718 VanDerWaalsContact CE2-CG 3.49Å; F716-L718 HydrophobicContact CZ-CD1 4Å; F716-L718 HydrophobicContact CZ-CG 4.44Å; F716-L718 PolarHBondContact O-N 3.09Å
717	P	72.8	Confident	87.3	Confident	66 Å²	66	68.7 Å²	68.7	43%	0.429	34%	0.34	S	S	.	.			trans	-61.1	124.1	-177.2	21.6	-32.4	0	0	0	111.8	D432	D432-P717 HydrophobicContact CB-CG 3.96Å
718	L	80	Confident	87.4	Confident	33 Å²	33	70.1 Å²	70.1	17%	0.173	35%	0.346	C	S	.	.			trans	-133	125.4	-175.7	-86.5	158.8	0	0	0	111.1	V687 Y711 L714 F716 V723	V687-L718 HydrophobicContact CG2-CD1 4.02Å; V687-L718 HydrophobicContact CG2-CD2 3.51Å; V687-L718 HydrophobicContact CG2-CG 4.4Å; Y711-L718 HydrophobicContact CD1-CB 4.5Å; Y711-L718 HydrophobicContact CE1-CB 3.98Å; L714-L718 HydrophobicContact CB-CD1 3.63Å; L714-L718 HydrophobicContact CD1-CD1 3.4Å; L714-L718 HydrophobicContact CG-CD1 4.15Å; F716-L718 HydrophobicContact CD2-CD1 3.94Å; F716-L718 HydrophobicContact CD2-CD2 4.36Å; F716-L718 HydrophobicContact CD2-CG 3.75Å; F716-L718 HydrophobicContact CE2-CD1 3.51Å; F716-L718 HydrophobicContact CE2-CD2 3.72Å; F716-L718 HydrophobicContact CE2-CG 3.49Å; F716-L718 VanDerWaalsContact CE2-CG 3.49Å; F716-L718 HydrophobicContact CZ-CD1 4Å; F716-L718 HydrophobicContact CZ-CG 4.44Å; F716-L718 PolarHBondContact O-N 3.09Å; L718-V723 HydrophobicContact CB-CG2 4.44Å; L718-V723 HydrophobicContact CD2-CG2 4.27Å
719	K	83.1	Confident	87.4	Confident	148 Å²	148	68 Å²	68	64%	0.643	33%	0.329	S	S	*	.			trans	-82.1	144.2	172.7	-58.8	178.2	178.4	177.8	0	110.1	S721 D722 V723	K719-S721 WeakPolarHBondContact CB-OG 3.27Å; K719-S721 PolarHBondContact O-N 2.84Å; K719-D722 WeakPolarHBondContact CB-OD2 3.43Å; K719-D722 WeakPolarHBondContact O-CB 3.28Å; K719-D722 PolarHBondContact O-N 2.99Å; K719-V723 PolarHBondContact O-N 2.81Å
720	A	84.8	Confident	87.5	Confident	52 Å²	52	66.4 Å²	66.4	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-56.5	-33.6	175.3	0	0	0	0	0	112.5	Y711 D722 V723 K724	Y711-A720 WeakPolarHBondContact OH-CA 3.41Å; Y711-A720 WeakPolarHBondContact OH-CB 3.46Å; Y711-A720 PolarHBondContact OH-N 2.86Å; Y711-A720 VanDerWaalsContact OH-N 3.11Å; A720-D722 VanDerWaalsContact C-N 3.27Å; A720-D722 PolarHBondContact O-N 3.4Å; A720-V723 PolarHBondContact O-N 3.27Å; A720-K724 WeakPolarHBondContact O-CB 3.08Å; A720-K724 PolarHBondContact O-N 3.42Å
721	S	88	Confident	87.6	Confident	61 Å²	61	68 Å²	68	43%	0.427	33%	0.33	S	S	.	.	H	α-helix	trans	-59.7	-36.6	173.3	55.7	0	0	0	0	113.1	K719 K725	K719-S721 WeakPolarHBondContact CB-OG 3.27Å; K719-S721 PolarHBondContact O-N 2.84Å; S721-K725 WeakPolarHBondContact O-CG 3.08Å; S721-K725 PolarHBondContact O-N 3.32Å
722	D	87.2	Confident	87.7	Confident	55 Å²	55	70.6 Å²	70.6	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-76	-44	-176.6	-57.9	-27.1	0	0	0	109.7	K719 A720 K724 K725 R726	K719-D722 WeakPolarHBondContact CB-OD2 3.43Å; K719-D722 WeakPolarHBondContact O-CB 3.28Å; K719-D722 PolarHBondContact O-N 2.99Å; A720-D722 VanDerWaalsContact C-N 3.27Å; A720-D722 PolarHBondContact O-N 3.4Å; D722-K724 VanDerWaalsContact C-N 3.32Å; D722-K724 PolarHBondContact O-N 3.47Å; D722-K725 WeakPolarHBondContact O-CB 3.34Å; D722-K725 PolarHBondContact O-N 3.48Å; D722-R726 WeakPolarHBondContact O-CG 3.46Å; D722-R726 PolarHBondContact O-N 3.44Å
723	V	90.4	Very high	88	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.1	-42.4	173.8	-173.9	0	0	0	0	110.8	I691 L707 V710 Y711 L718 K719 A720 K725 R726 I727	I691-V723 HydrophobicContact CD1-CG1 4.22Å; L707-V723 HydrophobicContact CD2-CB 3.82Å; L707-V723 HydrophobicContact CD2-CG1 3.47Å; L707-V723 VanDerWaalsContact CD2-CG1 3.47Å; V710-V723 HydrophobicContact CG1-CG1 4.16Å; V710-V723 HydrophobicContact CG1-CG2 4.29Å; Y711-V723 HydrophobicContact CE1-CG2 4.37Å; L718-V723 HydrophobicContact CB-CG2 4.44Å; L718-V723 HydrophobicContact CD2-CG2 4.27Å; K719-V723 PolarHBondContact O-N 2.81Å; A720-V723 PolarHBondContact O-N 3.27Å; V723-K725 PolarHBondContact O-N 2.88Å; V723-R726 WeakPolarHBondContact O-CB 3.16Å; V723-R726 PolarHBondContact O-N 3.47Å; V723-R726 VanDerWaalsContact O-N 3.1Å; V723-I727 HydrophobicContact CG1-CD1 4.17Å; V723-I727 WeakPolarHBondContact O-CG1 3.26Å; V723-I727 PolarHBondContact O-N 3.23Å
724	K	91.3	Very high	88.2	Confident	112 Å²	112	71 Å²	71	49%	0.487	35%	0.348	S	S	.	.	H	α-helix	trans	-59.5	-46.3	175.4	-174.1	175.8	-179.7	177.5	0	112	A720 D722 R726 I727 E728	A720-K724 WeakPolarHBondContact O-CB 3.08Å; A720-K724 PolarHBondContact O-N 3.42Å; D722-K724 VanDerWaalsContact C-N 3.32Å; D722-K724 PolarHBondContact O-N 3.47Å; K724-R726 VanDerWaalsContact C-N 3.25Å; K724-R726 PolarHBondContact O-N 2.96Å; K724-I727 PolarHBondContact O-N 3.31Å; K724-E728 WeakPolarHBondContact O-CG 3.38Å; K724-E728 PolarHBondContact O-N 2.98Å
725	K	92.7	Very high	88.6	Confident	140 Å²	140	74.9 Å²	74.9	61%	0.609	36%	0.361	S	S	*	.	H	α-helix	trans	-58.4	-38.2	174.4	-75.2	173.1	-178.3	177.3	0	112	S721 D722 V723 N729	S721-K725 WeakPolarHBondContact O-CG 3.08Å; S721-K725 PolarHBondContact O-N 3.32Å; D722-K725 WeakPolarHBondContact O-CB 3.34Å; D722-K725 PolarHBondContact O-N 3.48Å; V723-K725 PolarHBondContact O-N 2.88Å; K725-N729 WeakPolarHBondContact O-CB 3.15Å; K725-N729 PolarHBondContact O-N 3.27Å
726	R	93.6	Very high	89.6	Confident	44 Å²	44	65.8 Å²	65.8	17%	0.166	32%	0.319	C	S	.	.	H	α-helix	trans	-66.7	-41.8	175.8	-61.6	-37.1	-57.7	164.3	5.5	112.2	V687 D688 I691 D722 V723 K724 N729 L730	V687-R726 HydrophobicContact CB-CG 4.11Å; V687-R726 HydrophobicContact CG1-CB 3.82Å; V687-R726 HydrophobicContact CG1-CG 3.58Å; D688-R726 VanDerWaalsContact CG-NH2 3.26Å; D688-R726 IonicContact OD1-CZ 3.18Å; D688-R726 VanDerWaalsContact OD1-CZ 3.32Å; D688-R726 IonicContact OD1-NE 3.64Å; D688-R726 PolarHBondContact OD1-NE 3.22Å; D688-R726 IonicContact OD1-NH2 2.91Å; D688-R726 PolarHBondContact OD1-NH2 2.69Å; D688-R726 VanDerWaalsContact OD1-NH2 3.1Å; D688-R726 IonicContact OD2-CZ 3.39Å; D688-R726 IonicContact OD2-NE 2.79Å; D688-R726 IonicContact OD2-NH2 2.71Å; D688-R726 PolarHBondContact OD2-NH2 2.85Å; I691-R726 HydrophobicContact CD1-CB 3.94Å; D722-R726 WeakPolarHBondContact O-CG 3.46Å; D722-R726 PolarHBondContact O-N 3.44Å; V723-R726 WeakPolarHBondContact O-CB 3.16Å; V723-R726 PolarHBondContact O-N 3.47Å; V723-R726 VanDerWaalsContact O-N 3.1Å; K724-R726 VanDerWaalsContact C-N 3.25Å; K724-R726 PolarHBondContact O-N 2.96Å; R726-N729 PolarHBondContact NH2-OD1 3.13Å; R726-N729 PolarHBondContact O-N 3.47Å; R726-L730 WeakPolarHBondContact O-CB 3.48Å; R726-L730 VanDerWaalsContact O-CG 3.32Å; R726-L730 WeakPolarHBondContact O-CG 3.4Å; R726-L730 PolarHBondContact O-N 3.16Å
727	I	94	Very high	90.3	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-58.8	-48.7	175.1	-67.1	165.3	0	0	0	110.7	I691 L706 V723 K724 N729 L730 I731 M736 Y746	I691-I727 HydrophobicContact CD1-CG1 3.93Å; L706-I727 HydrophobicContact CD2-CD1 3.73Å; L706-I727 HydrophobicContact CD2-CG1 4.07Å; V723-I727 HydrophobicContact CG1-CD1 4.17Å; V723-I727 WeakPolarHBondContact O-CG1 3.26Å; V723-I727 PolarHBondContact O-N 3.23Å; K724-I727 PolarHBondContact O-N 3.31Å; I727-N729 VanDerWaalsContact C-N 3.32Å; I727-N729 PolarHBondContact O-N 2.96Å; I727-L730 PolarHBondContact O-N 3.09Å; I727-I731 HydrophobicContact CG2-CD1 3.91Å; I727-I731 WeakPolarHBondContact O-CG1 3.32Å; I727-I731 PolarHBondContact O-N 2.95Å; I727-M736 HydrophobicContact CG2-CE 3.84Å; I727-M736 HydrophobicContact CG2-SD 4.34Å; I727-Y746 HydrophobicContact CD1-CE2 4.35Å; I727-Y746 HydrophobicContact CG2-CD1 4.39Å; I727-Y746 HydrophobicContact CG2-CE1 3.86Å; I727-Y746 HydrophobicContact CG2-CE2 4.1Å
728	E	94.1	Very high	91.4	Very high	52 Å²	52	72.6 Å²	72.6	24%	0.243	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-43.1	177.3	-60.3	-51.1	144.2	0	0	111.6	K724 L730 I731 E732 R738	K724-E728 WeakPolarHBondContact O-CG 3.38Å; K724-E728 PolarHBondContact O-N 2.98Å; E728-L730 VanDerWaalsContact C-N 3.31Å; E728-L730 PolarHBondContact O-N 3.34Å; E728-I731 WeakPolarHBondContact O-CB 3.47Å; E728-I731 PolarHBondContact O-N 3.3Å; E728-I731 VanDerWaalsContact O-N 3.13Å; E728-E732 WeakPolarHBondContact O-CG 3.32Å; E728-E732 PolarHBondContact O-N 3.4Å; E728-R738 IonicContact OE1-CZ 2.7Å; E728-R738 IonicContact OE1-NH2 3.09Å; E728-R738 PolarHBondContact OE1-NH2 3.21Å; E728-R738 IonicContact OE2-CZ 3.88Å; E728-R738 IonicContact OE2-NH2 3.84Å; E728-R738 PolarHBondContact OE2-NH2 2.84Å
729	N	94	Very high	92	Very high	33 Å²	33	72.7 Å²	72.7	18%	0.176	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-34.2	177.6	-170.4	-115.9	0	0	0	113.1	K725 R726 I727 R733	K725-N729 WeakPolarHBondContact O-CB 3.15Å; K725-N729 PolarHBondContact O-N 3.27Å; R726-N729 PolarHBondContact NH2-OD1 3.13Å; R726-N729 PolarHBondContact O-N 3.47Å; I727-N729 VanDerWaalsContact C-N 3.32Å; I727-N729 PolarHBondContact O-N 2.96Å; N729-R733 WeakPolarHBondContact O-CB 3.19Å; N729-R733 WeakPolarHBondContact O-CD 3.45Å; N729-R733 WeakPolarHBondContact O-CG 3.24Å; N729-R733 PolarHBondContact O-N 3.42Å; N729-R733 VanDerWaalsContact O-N 3.09Å; N729-R733 PolarHBondContact OD1-NE 3.08Å; N729-R733 PolarHBondContact OD1-NH1 3.48Å; N729-R733 PolarHBondContact OD1-NH2 3.31Å
730	L	95.2	Very high	92.4	Very high	3 Å²	3	72 Å²	72	2%	0.016	35%	0.353	C	S	.	.	H	α-helix	trans	-72.9	-29.1	174.5	-72	171.7	0	0	0	112.4	D688 I691 V692 R726 I727 E728 D734 Y735 M736	D688-L730 HydrophobicContact CB-CD2 4.29Å; I691-L730 HydrophobicContact CB-CD1 3.67Å; I691-L730 HydrophobicContact CD1-CD1 3.93Å; I691-L730 HydrophobicContact CG1-CD1 4.43Å; I691-L730 HydrophobicContact CG2-CD1 3.47Å; I691-L730 VanDerWaalsContact CG2-CD1 3.47Å; V692-L730 HydrophobicContact CG2-CD1 4.2Å; V692-L730 HydrophobicContact CG2-CD2 3.82Å; R726-L730 WeakPolarHBondContact O-CB 3.48Å; R726-L730 VanDerWaalsContact O-CG 3.32Å; R726-L730 WeakPolarHBondContact O-CG 3.4Å; R726-L730 PolarHBondContact O-N 3.16Å; I727-L730 PolarHBondContact O-N 3.09Å; E728-L730 VanDerWaalsContact C-N 3.31Å; E728-L730 PolarHBondContact O-N 3.34Å; L730-D734 PolarHBondContact O-N 2.91Å; L730-Y735 HydrophobicContact CD2-CD2 3.82Å; L730-Y735 HydrophobicContact CD2-CE2 4.5Å; L730-Y735 HydrophobicContact CD2-CG 4.19Å; L730-Y735 PolarHBondContact O-N 3.39Å; L730-M736 HydrophobicContact CB-CG 4.07Å; L730-M736 HydrophobicContact CB-SD 3.92Å; L730-M736 HydrophobicContact CD1-SD 4.33Å
731	I	94.5	Very high	92.7	Very high	33 Å²	33	74.7 Å²	74.7	17%	0.169	37%	0.369	C	S	.	.	H	α-helix	trans	-69	-47.4	171.3	-66	164.2	0	0	0	110.3	I727 E728 R733 D734 M736 R738 Y746	I727-I731 HydrophobicContact CG2-CD1 3.91Å; I727-I731 WeakPolarHBondContact O-CG1 3.32Å; I727-I731 PolarHBondContact O-N 2.95Å; E728-I731 WeakPolarHBondContact O-CB 3.47Å; E728-I731 PolarHBondContact O-N 3.3Å; E728-I731 VanDerWaalsContact O-N 3.13Å; I731-R733 PolarHBondContact O-N 3.46Å; I731-D734 PolarHBondContact O-N 3.17Å; I731-M736 VanDerWaalsContact CA-O 3.3Å; I731-M736 WeakPolarHBondContact CA-O 3.45Å; I731-M736 HydrophobicContact CG1-CG 3.73Å; I731-R738 HydrophobicContact CD1-CG 4.06Å; I731-Y746 HydrophobicContact CD1-CD1 4.18Å; I731-Y746 HydrophobicContact CD1-CE1 4.02Å
732	E	93.6	Very high	92.8	Very high	148 Å²	148	75.5 Å²	75.5	69%	0.692	37%	0.368	S	S	*	.	H	α-helix	trans	-60.1	-28.6	175.8	-72.2	172.6	174.4	0	0	113	E728 D734	E728-E732 WeakPolarHBondContact O-CG 3.32Å; E728-E732 PolarHBondContact O-N 3.4Å; E732-D734 VanDerWaalsContact C-N 3.31Å
733	R	93.3	Very high	92.9	Very high	139 Å²	139	75.8 Å²	75.8	53%	0.525	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	11.3	176.3	-70.1	173.6	175.3	-179	1.6	113.4	D688 N729 I731 Y735	D688-R733 IonicContact OD2-NH1 3.03Å; N729-R733 WeakPolarHBondContact O-CB 3.19Å; N729-R733 WeakPolarHBondContact O-CD 3.45Å; N729-R733 WeakPolarHBondContact O-CG 3.24Å; N729-R733 PolarHBondContact O-N 3.42Å; N729-R733 VanDerWaalsContact O-N 3.09Å; N729-R733 PolarHBondContact OD1-NE 3.08Å; N729-R733 PolarHBondContact OD1-NH1 3.48Å; N729-R733 PolarHBondContact OD1-NH2 3.31Å; I731-R733 PolarHBondContact O-N 3.46Å; R733-Y735 HydrophobicContact CB-CD2 3.68Å; R733-Y735 HydrophobicContact CB-CE2 3.91Å; R733-Y735 PolarHBondContact O-N 3.37Å; R733-Y735 VanDerWaalsContact O-N 3.13Å
734	D	92.9	Very high	93	Very high	124 Å²	124	78 Å²	78	66%	0.663	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	26.5	177.9	-63.7	-51	0	0	0	114.9	L730 I731 E732 V749	L730-D734 PolarHBondContact O-N 2.91Å; I731-D734 PolarHBondContact O-N 3.17Å; E732-D734 VanDerWaalsContact C-N 3.31Å; D734-V749 VanDerWaalsContact O-CB 3.24Å; D734-V749 WeakPolarHBondContact O-CB 3.48Å; D734-V749 VanDerWaalsContact O-CG1 3.24Å; D734-V749 WeakPolarHBondContact O-CG1 3.32Å
735	Y	92.6	Very high	93.2	Very high	108 Å²	108	73.6 Å²	73.6	42%	0.424	38%	0.379	S	S	.	.	S	Bend	trans	-80.5	-22.8	170.7	-76.1	-78.7	0	0	0	112.3	V692 L730 R733 Y748 V749	V692-Y735 HydrophobicContact CG1-CD1 4.43Å; V692-Y735 HydrophobicContact CG2-CD1 4.14Å; V692-Y735 HydrophobicContact CG2-CG 4.22Å; L730-Y735 HydrophobicContact CD2-CD2 3.82Å; L730-Y735 HydrophobicContact CD2-CE2 4.5Å; L730-Y735 HydrophobicContact CD2-CG 4.19Å; L730-Y735 PolarHBondContact O-N 3.39Å; R733-Y735 HydrophobicContact CB-CD2 3.68Å; R733-Y735 HydrophobicContact CB-CE2 3.91Å; R733-Y735 PolarHBondContact O-N 3.37Å; R733-Y735 VanDerWaalsContact O-N 3.13Å; Y735-Y748 WeakPolarHBondContact O-CD2 3.12Å; Y735-V749 PolarHBondContact O-N 3.25Å
736	M	94.2	Very high	93.4	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.015	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	161.7	-179.6	56	-169.7	-66.9	0	0	110.3	I691 M695 L706 I727 L730 I731 Y746 H747	I691-M736 HydrophobicContact CG2-SD 3.84Å; M695-M736 HydrophobicContact CE-CB 4.36Å; M695-M736 HydrophobicContact CE-CE 4.29Å; M695-M736 HydrophobicContact CG-CE 4.16Å; M695-M736 HydrophobicContact CG-SD 4.15Å; M695-M736 HydrophobicContact SD-CE 4Å; L706-M736 HydrophobicContact CD2-CE 4.24Å; I727-M736 HydrophobicContact CG2-CE 3.84Å; I727-M736 HydrophobicContact CG2-SD 4.34Å; L730-M736 HydrophobicContact CB-CG 4.07Å; L730-M736 HydrophobicContact CB-SD 3.92Å; L730-M736 HydrophobicContact CD1-SD 4.33Å; I731-M736 VanDerWaalsContact CA-O 3.3Å; I731-M736 WeakPolarHBondContact CA-O 3.45Å; I731-M736 HydrophobicContact CG1-CG 3.73Å; M736-Y746 VanDerWaalsContact CE-CB 3.41Å; M736-Y746 HydrophobicContact CE-CD1 3.87Å; M736-Y746 HydrophobicContact CE-CD2 3.88Å; M736-Y746 HydrophobicContact CE-CG 3.44Å; M736-Y746 VanDerWaalsContact CE-CG 3.44Å; M736-H747 CarbonylContact C-O 3.5Å; M736-H747 WeakPolarHBondContact CA-O 3.45Å; M736-H747 VanDerWaalsContact CB-O 3.29Å; M736-H747 WeakPolarHBondContact CB-O 3.49Å
737	K	94.5	Very high	93.4	Very high	122 Å²	122	67.1 Å²	67.1	53%	0.53	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	157.6	177	65.3	-178.6	179.9	-179.5	0	110.8	Y746 H747 V749	K737-Y746 CarbonylContact O-C 3.41Å; K737-Y746 WeakPolarHBondContact O-CA 3.46Å; K737-H747 HydrophobicContact CG-CB 4.1Å; K737-H747 PolarHBondContact N-O 2.98Å; K737-H747 PolarHBondContact O-N 3.47Å; K737-V749 HydrophobicContact CB-CG2 4Å; K737-V749 HydrophobicContact CD-CG2 3.93Å; K737-V749 HydrophobicContact CG-CG2 3.76Å
738	R	95.2	Very high	93.5	Very high	114 Å²	114	68.9 Å²	68.9	43%	0.43	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	148.2	172.1	-64.7	-177.9	-175.5	173.2	-0.1	110.5	E728 I731 T745 Y746	E728-R738 IonicContact OE1-CZ 2.7Å; E728-R738 IonicContact OE1-NH2 3.09Å; E728-R738 PolarHBondContact OE1-NH2 3.21Å; E728-R738 IonicContact OE2-CZ 3.88Å; E728-R738 IonicContact OE2-NH2 3.84Å; E728-R738 PolarHBondContact OE2-NH2 2.84Å; I731-R738 HydrophobicContact CD1-CG 4.06Å; R738-T745 WeakPolarHBondContact CA-O 3.44Å; R738-Y746 HydrophobicContact CG-CD1 3.98Å; R738-Y746 HydrophobicContact CG-CE1 3.91Å
739	D	94	Very high	93.4	Very high	36 Å²	36	68.6 Å²	68.6	19%	0.193	36%	0.361	C	S	.	.			trans	-63	142.8	169.5	-174.6	115.1	0	0	0	109.8	S741 N742 T745 H747	D739-S741 VanDerWaalsContact C-N 3.28Å; D739-S741 PolarHBondContact O-N 3.39Å; D739-S741 WeakPolarHBondContact OD2-CA 3.31Å; D739-S741 WeakPolarHBondContact OD2-CB 3.36Å; D739-S741 PolarHBondContact OD2-N 3.1Å; D739-S741 PolarHBondContact OD2-OG 3.46Å; D739-N742 WeakPolarHBondContact CB-O 3.37Å; D739-N742 PolarHBondContact OD2-N 3.1Å; D739-N742 VanDerWaalsContact OD2-N 3.12Å; D739-T745 HydrophobicContact CB-CG2 4.08Å; D739-T745 PolarHBondContact N-O 2.89Å; D739-H747 WeakPolarHBondContact CA-NE2 3.4Å; D739-H747 WeakPolarHBondContact CB-NE2 3.41Å; D739-H747 IonicContact OD1-CE1 3.39Å; D739-H747 PolarHBondContact OD1-CE1 3Å; D739-H747 IonicContact OD1-NE2 2.89Å; D739-H747 PolarHBondContact OD1-NE2 3.13Å
740	S	90.7	Very high	92.6	Very high	133 Å²	133	74.4 Å²	74.4	93%	0.93	40%	0.404	S	S	*	.	S	Bend	trans	-67.7	-27	-178	46.6	0	0	0	0	113.8
741	S	90.2	Very high	92.5	Very high	108 Å²	108	78 Å²	78	76%	0.755	42%	0.424	S	S	*	.	S	Bend	trans	-99.2	-33.5	-178.9	67.8	0	0	0	0	112.8	D739	D739-S741 VanDerWaalsContact C-N 3.28Å; D739-S741 PolarHBondContact O-N 3.39Å; D739-S741 WeakPolarHBondContact OD2-CA 3.31Å; D739-S741 WeakPolarHBondContact OD2-CB 3.36Å; D739-S741 PolarHBondContact OD2-N 3.1Å; D739-S741 PolarHBondContact OD2-OG 3.46Å
742	N	91.5	Very high	92.3	Very high	78 Å²	78	80.3 Å²	80.3	42%	0.417	44%	0.437	S	S	.	.			trans	-130.7	102.9	-178.3	-175.2	-1.8	0	0	0	112.2	D739 A744 T745	D739-N742 WeakPolarHBondContact CB-O 3.37Å; D739-N742 PolarHBondContact OD2-N 3.1Å; D739-N742 VanDerWaalsContact OD2-N 3.12Å; N742-A744 PolarHBondContact O-N 3.25Å; N742-A744 WeakPolarHBondContact OD1-CB 3.36Å; N742-A744 PolarHBondContact OD1-N 2.9Å; N742-T745 PolarHBondContact ND2-OG1 3.47Å; N742-T745 PolarHBondContact O-N 2.63Å
743	A	88.9	Confident	92.3	Very high	61 Å²	61	76.6 Å²	76.6	50%	0.504	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-15.4	179.5	0	0	0	0	0	114.8	T745	A743-T745 VanDerWaalsContact C-N 3.32Å
744	A	91.8	Very high	92.2	Very high	46 Å²	46	72.9 Å²	72.9	38%	0.38	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.6	174.7	0	0	0	0	0	113.5	D702 H703 N742	D702-A744 CarbonylContact C-O 3.53Å; D702-A744 WeakPolarHBondContact CA-O 3.47Å; H703-A744 PolarHBondContact N-O 2.9Å; N742-A744 PolarHBondContact O-N 3.25Å; N742-A744 WeakPolarHBondContact OD1-CB 3.36Å; N742-A744 PolarHBondContact OD1-N 2.9Å
745	T	95	Very high	92.2	Very high	21 Å²	21	69.7 Å²	69.7	13%	0.129	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.6	175.9	-59	0	0	0	0	109.9	T700 R738 D739 N742 A743	T700-T745 HydrophobicContact CG2-CG2 3.51Å; R738-T745 WeakPolarHBondContact CA-O 3.44Å; D739-T745 HydrophobicContact CB-CG2 4.08Å; D739-T745 PolarHBondContact N-O 2.89Å; N742-T745 PolarHBondContact ND2-OG1 3.47Å; N742-T745 PolarHBondContact O-N 2.63Å; A743-T745 VanDerWaalsContact C-N 3.32Å
746	Y	96.8	Very high	92.1	Very high	8 Å²	8	67.1 Å²	67.1	3%	0.031	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.2	177.5	-52.4	-64.1	0	0	0	111.3	T700 I701 H703 L706 I727 I731 M736 K737 R738	T700-Y746 VanDerWaalsContact CA-O 3.29Å; T700-Y746 WeakPolarHBondContact CA-O 3.48Å; I701-Y746 PolarHBondContact N-O 2.93Å; I701-Y746 PolarHBondContact O-N 3.28Å; H703-Y746 HydrophobicContact CB-CE2 3.83Å; H703-Y746 AromaticContact ND1-CE2 3.48Å; H703-Y746 WeakPolarHBondContact ND1-CE2 3.48Å; H703-Y746 AromaticContact ND1-CZ 3.59Å; H703-Y746 PolarHBondContact ND1-OH 3.08Å; L706-Y746 HydrophobicContact CD2-CD2 3.87Å; L706-Y746 HydrophobicContact CD2-CE2 4.14Å; I727-Y746 HydrophobicContact CD1-CE2 4.35Å; I727-Y746 HydrophobicContact CG2-CD1 4.39Å; I727-Y746 HydrophobicContact CG2-CE1 3.86Å; I727-Y746 HydrophobicContact CG2-CE2 4.1Å; I731-Y746 HydrophobicContact CD1-CD1 4.18Å; I731-Y746 HydrophobicContact CD1-CE1 4.02Å; M736-Y746 VanDerWaalsContact CE-CB 3.41Å; M736-Y746 HydrophobicContact CE-CD1 3.87Å; M736-Y746 HydrophobicContact CE-CD2 3.88Å; M736-Y746 HydrophobicContact CE-CG 3.44Å; M736-Y746 VanDerWaalsContact CE-CG 3.44Å; K737-Y746 CarbonylContact O-C 3.41Å; K737-Y746 WeakPolarHBondContact O-CA 3.46Å; R738-Y746 HydrophobicContact CG-CD1 3.98Å; R738-Y746 HydrophobicContact CG-CE1 3.91Å
747	H	95.3	Very high	92	Very high	39 Å²	39	71.7 Å²	71.7	18%	0.181	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.9	171.8	-55.7	-71.6	0	0	0	110.7	K699 T700 M736 K737 D739	K699-H747 CarbonylContact O-C 3.59Å; K699-H747 WeakPolarHBondContact O-CA 3.46Å; T700-H747 WeakPolarHBondContact CG2-ND1 3.24Å; T700-H747 PolarHBondContact OG1-ND1 2.7Å; M736-H747 CarbonylContact C-O 3.5Å; M736-H747 WeakPolarHBondContact CA-O 3.45Å; M736-H747 VanDerWaalsContact CB-O 3.29Å; M736-H747 WeakPolarHBondContact CB-O 3.49Å; K737-H747 HydrophobicContact CG-CB 4.1Å; K737-H747 PolarHBondContact N-O 2.98Å; K737-H747 PolarHBondContact O-N 3.47Å; D739-H747 WeakPolarHBondContact CA-NE2 3.4Å; D739-H747 WeakPolarHBondContact CB-NE2 3.41Å; D739-H747 IonicContact OD1-CE1 3.39Å; D739-H747 PolarHBondContact OD1-CE1 3Å; D739-H747 IonicContact OD1-NE2 2.89Å; D739-H747 PolarHBondContact OD1-NE2 3.13Å
748	Y	95.9	Very high	91.8	Very high	38 Å²	38	67.8 Å²	67.8	15%	0.149	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	135.8	171	178.6	-110.7	0	0	0	110.2	M695 K696 K699 Y735 S750	M695-Y748 HydrophobicContact CB-CD2 3.9Å; M695-Y748 HydrophobicContact CB-CG 4.39Å; M695-Y748 VanDerWaalsContact CE-N 3.25Å; M695-Y748 WeakPolarHBondContact O-CB 3.49Å; K696-Y748 HydrophobicContact CD-CE2 4.34Å; K696-Y748 WeakPolarHBondContact CE-OH 3.41Å; K696-Y748 HydrophobicContact CG-CD1 4.45Å; K696-Y748 HydrophobicContact CG-CD2 4.01Å; K696-Y748 HydrophobicContact CG-CE1 3.92Å; K696-Y748 HydrophobicContact CG-CE2 3.43Å; K696-Y748 VanDerWaalsContact CG-CE2 3.43Å; K696-Y748 VanDerWaalsContact CG-CZ 3.43Å; K699-Y748 HydrophobicContact CD-CD1 4.36Å; K699-Y748 PolarHBondContact O-N 3.29Å; Y735-Y748 WeakPolarHBondContact O-CD2 3.12Å; Y748-S750 PolarHBondContact OH-OXT 2.75Å
749	V	90.6	Very high	91.5	Very high	46 Å²	46	64 Å²	64	28%	0.279	42%	0.419	S	S	.	.			trans	-107.5	122.7	173.6	177	0	0	0	0	106.8	D734 Y735 K737	D734-V749 VanDerWaalsContact O-CB 3.24Å; D734-V749 WeakPolarHBondContact O-CB 3.48Å; D734-V749 VanDerWaalsContact O-CG1 3.24Å; D734-V749 WeakPolarHBondContact O-CG1 3.32Å; Y735-V749 PolarHBondContact O-N 3.25Å; K737-V749 HydrophobicContact CB-CG2 4Å; K737-V749 HydrophobicContact CD-CG2 3.93Å; K737-V749 HydrophobicContact CG-CG2 3.76Å
750	S	77.6	Confident	91.3	Very high	154 Å²	154	66.5 Å²	66.5	100%	1.077	44%	0.439	S	S	*	.			trans	-71.4	0	-164.7	56.9	0	0	0	0	114.2	Y748	Y748-S750 PolarHBondContact OH-OXT 2.75Å

Retrieved 750 of 750 residues in 305.1 ms (Link to these results)

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