A0A087XUL6_POEFO Loading...

Transmembrane protein 63A

AlphaFold DB , UniProt , Accession A0A087XUL6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 782 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.4	Very low	24.4	Very low	242 Å²	242	151.7 Å²	151.7	100%	1.192	81%	0.81	S	S	*	*				0	127.7	0	-146.8	160.2	156.3	0	0	106.3
2	S	26.5	Very low	24.5	Very low	98 Å²	98	144.9 Å²	144.9	69%	0.685	78%	0.784	S	S	*	*			trans	-34.6	158.4	-169.4	50.2	0	0	0	0	121.2
3	T	26	Very low	24.7	Very low	122 Å²	122	141.5 Å²	141.5	75%	0.748	77%	0.771	S	S	*	*			trans	84.3	139.3	156.3	73.8	0	0	0	0	116.5
4	L	23.9	Very low	25.5	Very low	151 Å²	151	139.3 Å²	139.3	79%	0.791	77%	0.767	S	S	*	*			cis	-151.4	137.6	18.4	-88.3	102.3	0	0	0	109.6
5	W	22.3	Very low	25.9	Very low	257 Å²	257	140.7 Å²	140.7	97%	0.973	77%	0.766	S	S	*	*			trans	-128.9	132.9	150.4	-98.6	56.1	0	0	0	107.7
6	P	24.3	Very low	26.3	Very low	109 Å²	109	139.3 Å²	139.3	71%	0.708	76%	0.756	S	S	*	*			trans	-81	135.7	-168	29.4	-27	0	0	0	111.8	V8	P6-V8 PolarHBondContact O-N 3.47Å
7	M	20.9	Very low	27	Very low	175 Å²	175	135.5 Å²	135.5	86%	0.862	74%	0.743	S	S	*	*			trans	-64.4	111.9	162.4	-84.8	-179.2	-178.5	0	0	109.3	I9	M7-I9 HydrophobicContact CB-CG1 4.49Å; M7-I9 PolarHBondContact O-N 3.09Å
8	V	22.7	Very low	27.8	Very low	128 Å²	128	130.2 Å²	130.2	78%	0.776	72%	0.716	S	S	*	*			trans	-86.1	101.7	157.9	176.4	0	0	0	0	106.9	P6 S10	P6-V8 PolarHBondContact O-N 3.47Å; V8-S10 PolarHBondContact O-N 3.04Å
9	I	24.1	Very low	28.2	Very low	139 Å²	139	130.4 Å²	130.4	71%	0.713	71%	0.71	S	S	*	*			trans	-78	95	168.3	-62	169.9	0	0	0	106.4	M7	M7-I9 HydrophobicContact CB-CG1 4.49Å; M7-I9 PolarHBondContact O-N 3.09Å
10	S	23.3	Very low	28.2	Very low	85 Å²	85	129.7 Å²	129.7	59%	0.594	71%	0.714	S	S	*	*			trans	-86.2	106.2	165.2	66.5	0	0	0	0	108.9	V8 S12	V8-S10 PolarHBondContact O-N 3.04Å; S10-S12 VanDerWaalsContact C-N 3.28Å; S10-S12 PolarHBondContact O-N 3.46Å
11	N	27.1	Very low	28.4	Very low	163 Å²	163	127.6 Å²	127.6	87%	0.872	71%	0.709	S	S	*	*			trans	-58.2	93.9	160.7	-88.2	-14.5	0	0	0	108.4
12	S	25	Very low	28.8	Very low	70 Å²	70	123.5 Å²	123.5	49%	0.49	69%	0.692	S	S	.	*			trans	-112.5	130.9	169.7	50	0	0	0	0	108.2	S10	S10-S12 VanDerWaalsContact C-N 3.28Å; S10-S12 PolarHBondContact O-N 3.46Å
13	T	28.2	Very low	29.2	Very low	100 Å²	100	126.5 Å²	126.5	61%	0.613	70%	0.695	S	S	*	*			trans	-49.8	146.9	173.9	45.2	0	0	0	0	111.6	H15 L16	T13-H15 PolarHBondContact O-N 3.42Å; T13-L16 PolarHBondContact O-N 3.11Å; T13-L16 VanDerWaalsContact O-N 3.11Å
14	P	35.1	Very low	29.9	Very low	111 Å²	111	124.6 Å²	124.6	72%	0.721	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-11.1	-174.4	21.8	-32.5	0	0	0	115.3	S17	P14-S17 PolarHBondContact O-OG 3.49Å
15	H	32.3	Very low	30.5	Very low	161 Å²	161	124 Å²	124	75%	0.745	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-18.1	175.7	-79.6	-76.4	0	0	0	115.1	T13	T13-H15 PolarHBondContact O-N 3.42Å
16	L	32.3	Very low	31.4	Very low	118 Å²	118	114.4 Å²	114.4	62%	0.618	65%	0.654	S	S	*	*	S	Bend	trans	-88.3	-14.7	-175.5	-147.9	77.3	0	0	0	113.6	T13 F19	T13-L16 PolarHBondContact O-N 3.11Å; T13-L16 VanDerWaalsContact O-N 3.11Å; L16-F19 PolarHBondContact O-N 2.9Å
17	S	38.3	Very low	32.2	Very low	75 Å²	75	113.3 Å²	113.3	52%	0.524	65%	0.648	S	S	.	*	G	3₁₀ helix	trans	-79	-17.9	-177.7	60	0	0	0	0	114.1	P14 F19	P14-S17 PolarHBondContact O-OG 3.49Å; S17-F19 VanDerWaalsContact C-N 3.29Å; S17-F19 PolarHBondContact O-N 3.11Å
18	C	41.2	Very low	33.7	Very low	40 Å²	40	108.7 Å²	108.7	27%	0.27	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-72.9	-20.2	173	-76.1	0	0	0	0	113.2	C532 L535	C18-C532 WeakPolarHBondContact CA-SG 3.5Å; C18-C532 HydrophobicContact CB-CB 3.88Å; C18-C532 WeakPolarHBondContact CB-SG 3.23Å; C18-C532 WeakPolarHBondContact SG-CB 3.4Å; C18-C532 CovalentContact SG-SG 2.04Å; C18-C532 PolarHBondContact SG-SG 2.83Å; C18-L535 HydrophobicContact CB-CD1 4.18Å
19	F	35.3	Very low	35.5	Very low	134 Å²	134	106.4 Å²	106.4	59%	0.588	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-95.7	11.6	-170.2	-90.7	-80.4	0	0	0	115.2	L16 S17 S21	L16-F19 PolarHBondContact O-N 2.9Å; S17-F19 VanDerWaalsContact C-N 3.29Å; S17-F19 PolarHBondContact O-N 3.11Å; F19-S21 PolarHBondContact O-N 3.49Å
20	S	28.6	Very low	37.8	Very low	115 Å²	115	105 Å²	105	80%	0.804	62%	0.623	S	S	*	*			trans	-82.7	42.3	177.1	83.9	0	0	0	0	113.7
21	S	32.5	Very low	40.4	Very low	87 Å²	87	103.2 Å²	103.2	61%	0.608	60%	0.604	S	S	*	*			trans	-143.7	88.8	165.8	-166.3	0	0	0	0	110.2	F19 Q23	F19-S21 PolarHBondContact O-N 3.49Å; S21-Q23 PolarHBondContact O-N 3.47Å
22	N	34.4	Very low	42.5	Very low	156 Å²	156	96.2 Å²	96.2	83%	0.834	57%	0.571	S	S	*	*			trans	-66	54.3	167.7	-83.5	-13.7	0	0	0	112
23	Q	36.2	Very low	45	Very low	160 Å²	160	92.9 Å²	92.9	75%	0.748	55%	0.547	S	S	*	.			trans	-147	59.6	-177.3	-70	-165.9	-17.3	0	0	113.8	S21	S21-Q23 PolarHBondContact O-N 3.47Å
24	T	39.5	Very low	47.7	Very low	83 Å²	83	88.4 Å²	88.4	51%	0.509	52%	0.52	S	S	.	.			trans	-131.6	133	140.2	62	0	0	0	0	108.2	L26 S27	T24-L26 PolarHBondContact O-N 2.9Å; T24-S27 PolarHBondContact O-N 2.74Å; T24-S27 PolarHBondContact O-OG 2.99Å
25	V	37.6	Very low	50.2	Low	138 Å²	138	86.9 Å²	86.9	84%	0.836	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-8.4	179.8	178.5	0	0	0	0	112.4
26	L	41.2	Very low	52.6	Low	56 Å²	56	83.1 Å²	83.1	29%	0.293	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-9.9	-178	-61.4	169.1	0	0	0	113.7	T24 G28 L29 V37	T24-L26 PolarHBondContact O-N 2.9Å; L26-G28 PolarHBondContact O-N 3.25Å; L26-L29 HydrophobicContact CD2-CD1 4.03Å; L26-L29 PolarHBondContact O-N 3.41Å; L26-V37 HydrophobicContact CD2-CG2 4.3Å
27	S	41.5	Very low	55	Low	85 Å²	85	78.7 Å²	78.7	59%	0.594	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	88.3	177.8	61.4	0	0	0	0	109.9	T24	T24-S27 PolarHBondContact O-N 2.74Å; T24-S27 PolarHBondContact O-OG 2.99Å
28	G	52.2	Low	57.4	Low	79 Å²	79	77.8 Å²	77.8	81%	0.814	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	150.7	-9.3	-177.3	0	0	0	0	0	114.4	L26	L26-G28 PolarHBondContact O-N 3.25Å
29	L	60.6	Low	59.7	Low	80 Å²	80	81.4 Å²	81.4	42%	0.419	48%	0.481	S	S	.	.	S	Bend	trans	-94.6	140.3	174.6	-66	171.4	0	0	0	111.1	L26 F31 G32	L26-L29 HydrophobicContact CD2-CD1 4.03Å; L26-L29 PolarHBondContact O-N 3.41Å; L29-F31 PolarHBondContact O-N 2.83Å; L29-G32 PolarHBondContact O-N 3.22Å
30	D	71.4	Confident	62.1	Low	108 Å²	108	80 Å²	80	58%	0.578	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-53.5	139.4	176	-68.1	-21.4	0	0	0	111.5	G32 G33 H161	D30-G32 PolarHBondContact O-N 3.35Å; D30-G33 PolarHBondContact O-N 3.48Å; D30-G33 VanDerWaalsContact O-N 3.07Å; D30-H161 HydrophobicContact CB-CB 4.41Å; D30-H161 IonicContact OD2-ND1 3.41Å
31	F	78.1	Confident	65	Low	48 Å²	48	75.3 Å²	75.3	21%	0.211	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	54	37.5	177.1	-157.7	-101.3	0	0	0	113.9	L29 G33 V34 H161 F163 T166 I616	L29-F31 PolarHBondContact O-N 2.83Å; F31-G33 PolarHBondContact O-N 3.4Å; F31-V34 HydrophobicContact CD1-CB 4.18Å; F31-V34 HydrophobicContact CD1-CG2 4.45Å; F31-V34 PolarHBondContact O-N 2.99Å; F31-H161 VanDerWaalsContact CA-O 3.23Å; F31-H161 WeakPolarHBondContact CA-O 3.43Å; F31-H161 PolarHBondContact N-O 3.42Å; F31-F163 AromaticContact CD1-CD2 3.83Å; F31-F163 HydrophobicContact CD1-CD2 3.83Å; F31-F163 HydrophobicContact CD2-CB 4.33Å; F31-F163 HydrophobicContact CD2-CD2 4.42Å; F31-F163 AromaticContact CE1-CD2 3.58Å; F31-F163 HydrophobicContact CE1-CD2 3.58Å; F31-F163 AromaticContact CE1-CE2 3.98Å; F31-F163 HydrophobicContact CE1-CE2 3.98Å; F31-F163 HydrophobicContact CE2-CD2 4.2Å; F31-F163 HydrophobicContact CG-CD2 4.25Å; F31-F163 AromaticContact CZ-CD2 3.78Å; F31-F163 HydrophobicContact CZ-CD2 3.78Å; F31-F163 HydrophobicContact CZ-CE2 4.29Å; F31-T166 HydrophobicContact CE2-CG2 3.92Å; F31-T166 HydrophobicContact CZ-CG2 3.89Å; F31-I616 HydrophobicContact CE1-CD1 4.29Å; F31-I616 HydrophobicContact CZ-CD1 3.77Å
32	G	71.4	Confident	67.9	Low	16 Å²	16	76.3 Å²	76.3	17%	0.165	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	65.6	19.7	179.1	0	0	0	0	0	114.1	L29 D30 V34 N544	L29-G32 PolarHBondContact O-N 3.22Å; D30-G32 PolarHBondContact O-N 3.35Å; G32-V34 VanDerWaalsContact C-N 3.27Å; G32-V34 PolarHBondContact O-N 2.88Å; G32-N544 PolarHBondContact O-ND2 3.43Å
33	G	76.8	Confident	70.6	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	75.4	4.1	178.5	0	0	0	0	0	115.6	D30 F31 V36 V37	D30-G33 PolarHBondContact O-N 3.48Å; D30-G33 VanDerWaalsContact O-N 3.07Å; F31-G33 PolarHBondContact O-N 3.4Å; G33-V36 PolarHBondContact O-N 3.12Å; G33-V37 WeakPolarHBondContact O-CB 3.47Å; G33-V37 VanDerWaalsContact O-CG2 3.29Å; G33-V37 WeakPolarHBondContact O-CG2 3.47Å; G33-V37 PolarHBondContact O-N 3.46Å
34	V	84.8	Confident	73.2	Confident	6 Å²	6	67.2 Å²	67.2	4%	0.036	40%	0.402	C	S	.	.	H	α-helix	trans	-55.4	-47.6	-174.3	177.5	0	0	0	0	113.6	F31 G32 V36 V37 L38 F163 V543 N544 I547 F620	F31-V34 HydrophobicContact CD1-CB 4.18Å; F31-V34 HydrophobicContact CD1-CG2 4.45Å; F31-V34 PolarHBondContact O-N 2.99Å; G32-V34 VanDerWaalsContact C-N 3.27Å; G32-V34 PolarHBondContact O-N 2.88Å; V34-V36 PolarHBondContact O-N 2.68Å; V34-V37 PolarHBondContact O-N 2.81Å; V34-L38 VanDerWaalsContact O-CB 3.3Å; V34-L38 WeakPolarHBondContact O-CB 3.42Å; V34-L38 PolarHBondContact O-N 2.84Å; V34-F163 HydrophobicContact CG2-CD2 4.42Å; V34-F163 HydrophobicContact CG2-CE2 4.13Å; V34-V543 HydrophobicContact CG1-CG1 3.89Å; V34-V543 HydrophobicContact CG2-CB 4.44Å; V34-V543 HydrophobicContact CG2-CG1 4.02Å; V34-N544 VanDerWaalsContact CA-OD1 3.32Å; V34-N544 WeakPolarHBondContact CA-OD1 3.41Å; V34-I547 HydrophobicContact CG1-CD1 3.75Å; V34-F620 HydrophobicContact CG1-CE2 4.4Å
35	P	88.1	Confident	75.7	Confident	79 Å²	79	64.4 Å²	64.4	51%	0.513	38%	0.383	S	S	.	.	H	α-helix	trans	-64.1	-39.2	180	-22.4	34.9	0	0	0	113.1	L38 L39	P35-L38 PolarHBondContact O-N 3.15Å; P35-L39 PolarHBondContact O-N 3.29Å
36	V	82.9	Confident	78.3	Confident	82 Å²	82	61.2 Å²	61.2	50%	0.497	36%	0.36	S	S	.	.	H	α-helix	trans	-67.2	-46.7	179.4	-179.9	0	0	0	0	110.3	G33 V34 L38 L39 L40	G33-V36 PolarHBondContact O-N 3.12Å; V34-V36 PolarHBondContact O-N 2.68Å; V36-L38 VanDerWaalsContact C-N 3.34Å; V36-L38 PolarHBondContact O-N 3.11Å; V36-L39 PolarHBondContact O-N 3.04Å; V36-L40 WeakPolarHBondContact O-CB 3.49Å; V36-L40 PolarHBondContact O-N 3.44Å
37	V	83.1	Confident	80.8	Confident	25 Å²	25	64.8 Å²	64.8	15%	0.152	37%	0.373	C	S	.	.	H	α-helix	trans	-61.9	-42.9	177.1	172.5	0	0	0	0	110.5	L26 G33 V34 L40 N41 N544	L26-V37 HydrophobicContact CD2-CG2 4.3Å; G33-V37 WeakPolarHBondContact O-CB 3.47Å; G33-V37 VanDerWaalsContact O-CG2 3.29Å; G33-V37 WeakPolarHBondContact O-CG2 3.47Å; G33-V37 PolarHBondContact O-N 3.46Å; V34-V37 PolarHBondContact O-N 2.81Å; V37-L40 PolarHBondContact O-N 3.31Å; V37-N41 WeakPolarHBondContact CG1-ND2 3.46Å; V37-N41 WeakPolarHBondContact O-CB 3.09Å; V37-N41 PolarHBondContact O-N 3.32Å; V37-N41 PolarHBondContact O-ND2 3.5Å; V37-N544 WeakPolarHBondContact CB-OD1 3.45Å; V37-N544 HydrophobicContact CG1-CB 4.06Å
38	L	88.4	Confident	83.1	Confident	56 Å²	56	61.5 Å²	61.5	29%	0.293	35%	0.349	S	S	.	.	H	α-helix	trans	-59.6	-49.1	176.4	-179.5	64.2	0	0	0	112	V34 P35 V36 L40 N41 F42 I547 L551 F620	V34-L38 VanDerWaalsContact O-CB 3.3Å; V34-L38 WeakPolarHBondContact O-CB 3.42Å; V34-L38 PolarHBondContact O-N 2.84Å; P35-L38 PolarHBondContact O-N 3.15Å; V36-L38 VanDerWaalsContact C-N 3.34Å; V36-L38 PolarHBondContact O-N 3.11Å; L38-L40 PolarHBondContact O-N 2.89Å; L38-N41 PolarHBondContact O-N 3Å; L38-F42 VanDerWaalsContact O-CB 3.26Å; L38-F42 WeakPolarHBondContact O-CB 3.42Å; L38-F42 PolarHBondContact O-N 2.7Å; L38-I547 HydrophobicContact CB-CD1 4.42Å; L38-I547 HydrophobicContact CB-CG2 4.36Å; L38-I547 HydrophobicContact CD1-CD1 4.43Å; L38-I547 HydrophobicContact CD1-CG1 4.47Å; L38-I547 HydrophobicContact CD1-CG2 3.75Å; L38-L551 HydrophobicContact CD1-CD1 4.05Å; L38-F620 HydrophobicContact CD1-CE1 4.07Å; L38-F620 HydrophobicContact CD2-CE1 4.05Å; L38-F620 HydrophobicContact CD2-CZ 4.4Å
39	L	89.1	Confident	84.9	Confident	117 Å²	117	59.6 Å²	59.6	61%	0.613	32%	0.32	S	S	*	.	H	α-helix	trans	-60.2	-47.3	178.9	-177.7	67.9	0	0	0	111.3	P35 V36 F42 C43	P35-L39 PolarHBondContact O-N 3.29Å; V36-L39 PolarHBondContact O-N 3.04Å; L39-F42 PolarHBondContact O-N 3.29Å; L39-C43 PolarHBondContact O-N 3.27Å; L39-C43 PolarHBondContact O-SG 2.9Å
40	L	86.9	Confident	86.2	Confident	105 Å²	105	61.1 Å²	61.1	55%	0.55	33%	0.328	S	S	.	.	H	α-helix	trans	-61.5	-49.2	179.5	-173	154.4	0	0	0	111.3	V36 V37 L38 F42 C43 V44	V36-L40 WeakPolarHBondContact O-CB 3.49Å; V36-L40 PolarHBondContact O-N 3.44Å; V37-L40 PolarHBondContact O-N 3.31Å; L38-L40 PolarHBondContact O-N 2.89Å; L40-F42 VanDerWaalsContact C-N 3.28Å; L40-F42 PolarHBondContact O-N 3.15Å; L40-C43 PolarHBondContact O-N 3.25Å; L40-V44 HydrophobicContact CD2-CG2 4.05Å; L40-V44 WeakPolarHBondContact O-CG2 3.42Å; L40-V44 PolarHBondContact O-N 3.11Å
41	N	88.4	Confident	87	Confident	16 Å²	16	58.1 Å²	58.1	9%	0.086	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-34	179.2	-78.9	-79.6	0	0	0	112	V37 L38 V44 F45 I547 A548 L551 V552	V37-N41 WeakPolarHBondContact CG1-ND2 3.46Å; V37-N41 WeakPolarHBondContact O-CB 3.09Å; V37-N41 PolarHBondContact O-N 3.32Å; V37-N41 PolarHBondContact O-ND2 3.5Å; L38-N41 PolarHBondContact O-N 3Å; N41-V44 PolarHBondContact O-N 3.44Å; N41-F45 VanDerWaalsContact O-CB 3.3Å; N41-F45 WeakPolarHBondContact O-CB 3.45Å; N41-F45 PolarHBondContact O-N 3.21Å; N41-I547 HydrophobicContact CB-CG2 4.24Å; N41-A548 WeakPolarHBondContact OD1-CA 3.25Å; N41-L551 HydrophobicContact CB-CB 4.11Å; N41-L551 HydrophobicContact CB-CD1 3.78Å; N41-V552 HydrophobicContact CB-CG2 4.3Å; N41-V552 WeakPolarHBondContact OD1-CG2 3.36Å
42	F	92.8	Very high	87.4	Confident	107 Å²	107	56.4 Å²	56.4	47%	0.469	31%	0.306	S	S	.	.	H	α-helix	trans	-65.9	-46.2	174.7	-177	-99.2	0	0	0	111.5	L38 L39 L40 V44 F45 I46 L551	L38-F42 VanDerWaalsContact O-CB 3.26Å; L38-F42 WeakPolarHBondContact O-CB 3.42Å; L38-F42 PolarHBondContact O-N 2.7Å; L39-F42 PolarHBondContact O-N 3.29Å; L40-F42 VanDerWaalsContact C-N 3.28Å; L40-F42 PolarHBondContact O-N 3.15Å; F42-V44 VanDerWaalsContact C-N 3.34Å; F42-V44 PolarHBondContact O-N 2.81Å; F42-F45 WeakPolarHBondContact O-CB 3.39Å; F42-F45 PolarHBondContact O-N 2.94Å; F42-F45 VanDerWaalsContact O-N 3.17Å; F42-I46 HydrophobicContact CD1-CG1 4.3Å; F42-I46 HydrophobicContact CE1-CD1 4.37Å; F42-I46 HydrophobicContact CE1-CG1 3.91Å; F42-I46 HydrophobicContact CE2-CD1 4.41Å; F42-I46 HydrophobicContact CZ-CD1 4Å; F42-I46 HydrophobicContact CZ-CG1 4.04Å; F42-I46 WeakPolarHBondContact O-CG1 3.46Å; F42-I46 PolarHBondContact O-N 3.22Å; F42-L551 HydrophobicContact CB-CD1 4.25Å
43	C	92.3	Very high	88	Confident	74 Å²	74	56 Å²	56	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-58.3	-45.2	174.3	-69.5	0	0	0	0	112	L39 L40 F45 I46 F47	L39-C43 PolarHBondContact O-N 3.27Å; L39-C43 PolarHBondContact O-SG 2.9Å; L40-C43 PolarHBondContact O-N 3.25Å; C43-F45 VanDerWaalsContact C-N 3.34Å; C43-F45 PolarHBondContact O-N 3.33Å; C43-I46 PolarHBondContact O-N 3.43Å; C43-F47 PolarHBondContact O-N 3.44Å
44	V	90.2	Very high	88.3	Confident	52 Å²	52	61.3 Å²	61.3	32%	0.315	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-42.3	175.6	174.9	0	0	0	0	110.9	L40 N41 F42 F47 L48 V552	L40-V44 HydrophobicContact CD2-CG2 4.05Å; L40-V44 WeakPolarHBondContact O-CG2 3.42Å; L40-V44 PolarHBondContact O-N 3.11Å; N41-V44 PolarHBondContact O-N 3.44Å; F42-V44 VanDerWaalsContact C-N 3.34Å; F42-V44 PolarHBondContact O-N 2.81Å; V44-F47 WeakPolarHBondContact O-CB 3.39Å; V44-F47 PolarHBondContact O-N 3.16Å; V44-L48 HydrophobicContact CG1-CD1 4.12Å; V44-L48 HydrophobicContact CG1-CG 4.29Å; V44-L48 WeakPolarHBondContact O-CG 3.46Å; V44-L48 PolarHBondContact O-N 2.92Å; V44-V552 HydrophobicContact CB-CG2 4.12Å; V44-V552 HydrophobicContact CG1-CG2 3.77Å
45	F	92.4	Very high	88	Confident	24 Å²	24	63.6 Å²	63.6	11%	0.105	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-44.4	178.1	177.5	-113.6	0	0	0	112.7	N41 F42 C43 F47 L48 L49 L551 L627	N41-F45 VanDerWaalsContact O-CB 3.3Å; N41-F45 WeakPolarHBondContact O-CB 3.45Å; N41-F45 PolarHBondContact O-N 3.21Å; F42-F45 WeakPolarHBondContact O-CB 3.39Å; F42-F45 PolarHBondContact O-N 2.94Å; F42-F45 VanDerWaalsContact O-N 3.17Å; C43-F45 VanDerWaalsContact C-N 3.34Å; C43-F45 PolarHBondContact O-N 3.33Å; F45-F47 VanDerWaalsContact C-N 3.3Å; F45-F47 PolarHBondContact O-N 3.22Å; F45-L48 PolarHBondContact O-N 3.22Å; F45-L49 HydrophobicContact CD1-CD1 4.04Å; F45-L49 HydrophobicContact CE1-CD1 3.51Å; F45-L49 HydrophobicContact CE1-CG 4.18Å; F45-L49 HydrophobicContact CE2-CD1 4.36Å; F45-L49 HydrophobicContact CE2-CD2 4.25Å; F45-L49 HydrophobicContact CE2-CG 4.17Å; F45-L49 HydrophobicContact CZ-CD1 3.7Å; F45-L49 HydrophobicContact CZ-CD2 4.12Å; F45-L49 HydrophobicContact CZ-CG 3.99Å; F45-L49 WeakPolarHBondContact O-CG 3.47Å; F45-L49 PolarHBondContact O-N 3.42Å; F45-L551 HydrophobicContact CB-CB 4.02Å; F45-L551 HydrophobicContact CB-CD2 4.37Å; F45-L551 HydrophobicContact CD1-CD2 4.08Å; F45-L551 WeakPolarHBondContact CD2-O 3.45Å; F45-L551 HydrophobicContact CG-CB 4.39Å; F45-L551 HydrophobicContact CG-CD2 4.18Å; F45-L627 HydrophobicContact CZ-CD2 4.15Å
46	I	92.4	Very high	87.5	Confident	70 Å²	70	61 Å²	61	36%	0.359	32%	0.316	S	S	.	.	H	α-helix	trans	-59.9	-43.6	174.2	-64.8	-60.8	0	0	0	110.7	F42 C43 L48 L49 L50	F42-I46 HydrophobicContact CD1-CG1 4.3Å; F42-I46 HydrophobicContact CE1-CD1 4.37Å; F42-I46 HydrophobicContact CE1-CG1 3.91Å; F42-I46 HydrophobicContact CE2-CD1 4.41Å; F42-I46 HydrophobicContact CZ-CD1 4Å; F42-I46 HydrophobicContact CZ-CG1 4.04Å; F42-I46 WeakPolarHBondContact O-CG1 3.46Å; F42-I46 PolarHBondContact O-N 3.22Å; C43-I46 PolarHBondContact O-N 3.43Å; I46-L48 PolarHBondContact O-N 3.09Å; I46-L49 PolarHBondContact O-N 3.38Å; I46-L50 HydrophobicContact CG2-CD1 4.3Å; I46-L50 WeakPolarHBondContact O-CG 3.43Å; I46-L50 PolarHBondContact O-N 3.49Å
47	F	92.8	Very high	87.1	Confident	131 Å²	131	64 Å²	64	58%	0.575	32%	0.322	S	S	*	.	H	α-helix	trans	-58.9	-46.3	174.4	174.1	-98.6	0	0	0	112.1	C43 V44 F45 L49 L50 V51	C43-F47 PolarHBondContact O-N 3.44Å; V44-F47 WeakPolarHBondContact O-CB 3.39Å; V44-F47 PolarHBondContact O-N 3.16Å; F45-F47 VanDerWaalsContact C-N 3.3Å; F45-F47 PolarHBondContact O-N 3.22Å; F47-L49 VanDerWaalsContact C-N 3.32Å; F47-L49 PolarHBondContact O-N 2.92Å; F47-L50 PolarHBondContact O-N 3.32Å; F47-V51 HydrophobicContact CD1-CG2 4.24Å; F47-V51 HydrophobicContact CD2-CG2 4.47Å; F47-V51 HydrophobicContact CE1-CG2 3.79Å; F47-V51 HydrophobicContact CE2-CG2 4.04Å; F47-V51 HydrophobicContact CZ-CG2 3.68Å; F47-V51 WeakPolarHBondContact O-CG2 3.45Å; F47-V51 PolarHBondContact O-N 3.46Å
48	L	90.1	Very high	86.6	Confident	17 Å²	17	69.2 Å²	69.2	9%	0.089	34%	0.342	C	S	.	.	H	α-helix	trans	-61.8	-38.4	177	-66.7	174.1	0	0	0	112.1	V44 F45 I46 V51 F52 V552 M556 L559	V44-L48 HydrophobicContact CG1-CD1 4.12Å; V44-L48 HydrophobicContact CG1-CG 4.29Å; V44-L48 WeakPolarHBondContact O-CG 3.46Å; V44-L48 PolarHBondContact O-N 2.92Å; F45-L48 PolarHBondContact O-N 3.22Å; I46-L48 PolarHBondContact O-N 3.09Å; L48-V51 PolarHBondContact O-N 3.28Å; L48-F52 WeakPolarHBondContact O-CB 3.28Å; L48-F52 PolarHBondContact O-N 2.8Å; L48-V552 HydrophobicContact CD1-CG1 4.44Å; L48-M556 HydrophobicContact CD1-CG 4.17Å; L48-M556 HydrophobicContact CD1-SD 4.26Å; L48-M556 HydrophobicContact CD2-SD 4.07Å; L48-L559 HydrophobicContact CB-CD1 4.01Å; L48-L559 HydrophobicContact CD2-CD1 3.6Å; L48-L559 HydrophobicContact CG-CD1 4.33Å
49	L	89.1	Confident	85.5	Confident	39 Å²	39	70.6 Å²	70.6	20%	0.204	35%	0.346	C	S	.	.	H	α-helix	trans	-65.5	-38.7	174.7	-72.6	-179.1	0	0	0	112.6	F45 I46 F47 F52 S53 W101 L558	F45-L49 HydrophobicContact CD1-CD1 4.04Å; F45-L49 HydrophobicContact CE1-CD1 3.51Å; F45-L49 HydrophobicContact CE1-CG 4.18Å; F45-L49 HydrophobicContact CE2-CD1 4.36Å; F45-L49 HydrophobicContact CE2-CD2 4.25Å; F45-L49 HydrophobicContact CE2-CG 4.17Å; F45-L49 HydrophobicContact CZ-CD1 3.7Å; F45-L49 HydrophobicContact CZ-CD2 4.12Å; F45-L49 HydrophobicContact CZ-CG 3.99Å; F45-L49 WeakPolarHBondContact O-CG 3.47Å; F45-L49 PolarHBondContact O-N 3.42Å; I46-L49 PolarHBondContact O-N 3.38Å; F47-L49 VanDerWaalsContact C-N 3.32Å; F47-L49 PolarHBondContact O-N 2.92Å; L49-F52 PolarHBondContact O-N 3.28Å; L49-S53 WeakPolarHBondContact O-CB 3.44Å; L49-S53 PolarHBondContact O-N 3.24Å; L49-S53 PolarHBondContact O-OG 3.01Å; L49-W101 HydrophobicContact CD2-CH2 4.4Å; L49-W101 HydrophobicContact CD2-CZ2 4.23Å; L49-L558 HydrophobicContact CD2-CD2 3.65Å
50	L	89	Confident	84.1	Confident	112 Å²	112	67.4 Å²	67.4	59%	0.586	33%	0.326	S	S	*	.	H	α-helix	trans	-65.5	-45.5	174.7	-70.1	173.6	0	0	0	111.1	I46 F47 F52 S53 F54	I46-L50 HydrophobicContact CG2-CD1 4.3Å; I46-L50 WeakPolarHBondContact O-CG 3.43Å; I46-L50 PolarHBondContact O-N 3.49Å; F47-L50 PolarHBondContact O-N 3.32Å; L50-F52 VanDerWaalsContact C-N 3.32Å; L50-F52 PolarHBondContact O-N 3.14Å; L50-S53 PolarHBondContact O-N 2.71Å; L50-F54 WeakPolarHBondContact O-CB 3.42Å; L50-F54 PolarHBondContact O-N 3.3Å
51	V	88.1	Confident	82.4	Confident	45 Å²	45	67.5 Å²	67.5	27%	0.273	33%	0.327	S	S	.	.	H	α-helix	trans	-59.2	-45	174.6	172.4	0	0	0	0	110.5	F47 L48 S53 F54 I55 L559	F47-V51 HydrophobicContact CD1-CG2 4.24Å; F47-V51 HydrophobicContact CD2-CG2 4.47Å; F47-V51 HydrophobicContact CE1-CG2 3.79Å; F47-V51 HydrophobicContact CE2-CG2 4.04Å; F47-V51 HydrophobicContact CZ-CG2 3.68Å; F47-V51 WeakPolarHBondContact O-CG2 3.45Å; F47-V51 PolarHBondContact O-N 3.46Å; L48-V51 PolarHBondContact O-N 3.28Å; V51-S53 PolarHBondContact O-N 3.22Å; V51-F54 PolarHBondContact O-N 3.23Å; V51-I55 HydrophobicContact CG1-CD1 3.61Å; V51-I55 HydrophobicContact CG1-CG1 4.25Å; V51-I55 WeakPolarHBondContact O-CB 3.49Å; V51-I55 VanDerWaalsContact O-CG1 3.29Å; V51-I55 WeakPolarHBondContact O-CG1 3.39Å; V51-I55 PolarHBondContact O-N 3.36Å; V51-L559 HydrophobicContact CG1-CD2 4.01Å
52	F	86.6	Confident	80.7	Confident	12 Å²	12	70.9 Å²	70.9	5%	0.053	34%	0.34	C	S	.	.	H	α-helix	trans	-60	-47	176.9	170.9	-101.4	0	0	0	111.8	L48 L49 L50 F54 I55 R56 W101 L558 L559 H634	L48-F52 WeakPolarHBondContact O-CB 3.28Å; L48-F52 PolarHBondContact O-N 2.8Å; L49-F52 PolarHBondContact O-N 3.28Å; L50-F52 VanDerWaalsContact C-N 3.32Å; L50-F52 PolarHBondContact O-N 3.14Å; F52-F54 VanDerWaalsContact C-N 3.3Å; F52-F54 PolarHBondContact O-N 3.23Å; F52-I55 PolarHBondContact O-N 3.48Å; F52-R56 VanDerWaalsContact O-CB 3.26Å; F52-R56 WeakPolarHBondContact O-CB 3.47Å; F52-R56 PolarHBondContact O-N 3.26Å; F52-W101 HydrophobicContact CD1-CZ2 4.03Å; F52-W101 HydrophobicContact CE1-CD2 4.01Å; F52-W101 AromaticContact CE1-CE2 3.68Å; F52-W101 HydrophobicContact CE1-CE3 4.34Å; F52-W101 HydrophobicContact CE1-CH2 4.28Å; F52-W101 AromaticContact CE1-CZ2 3.83Å; F52-W101 HydrophobicContact CE1-CZ2 3.83Å; F52-W101 HydrophobicContact CE1-CZ3 4.5Å; F52-W101 AromaticContact CE1-NE1 3.94Å; F52-L558 HydrophobicContact CB-CD2 4.33Å; F52-L558 HydrophobicContact CD1-CD2 3.71Å; F52-L558 HydrophobicContact CD1-CG 4.21Å; F52-L558 HydrophobicContact CD2-CD2 4.13Å; F52-L558 HydrophobicContact CD2-CG 3.81Å; F52-L558 HydrophobicContact CE1-CD1 4.41Å; F52-L558 HydrophobicContact CE1-CD2 4.01Å; F52-L558 HydrophobicContact CE1-CG 4.24Å; F52-L558 HydrophobicContact CE2-CD1 4.19Å; F52-L558 HydrophobicContact CE2-CD2 4.4Å; F52-L558 HydrophobicContact CE2-CG 3.84Å; F52-L558 HydrophobicContact CG-CD2 3.78Å; F52-L558 HydrophobicContact CG-CG 4Å; F52-L558 HydrophobicContact CZ-CD1 4.08Å; F52-L558 HydrophobicContact CZ-CD2 4.35Å; F52-L558 HydrophobicContact CZ-CG 4.06Å; F52-L559 HydrophobicContact CB-CD2 3.66Å; F52-L559 HydrophobicContact CB-CG 4.16Å; F52-L559 HydrophobicContact CD2-CD2 4.25Å; F52-L559 HydrophobicContact CG-CD2 4.48Å; F52-H634 AromaticContact CZ-NE2 3.46Å; F52-H634 WeakPolarHBondContact CZ-NE2 3.48Å
53	S	83.3	Confident	78.7	Confident	8 Å²	8	67 Å²	67	6%	0.056	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-37.5	-179.2	-54.3	0	0	0	0	111.6	L49 L50 V51 K57 F98	L49-S53 WeakPolarHBondContact O-CB 3.44Å; L49-S53 PolarHBondContact O-N 3.24Å; L49-S53 PolarHBondContact O-OG 3.01Å; L50-S53 PolarHBondContact O-N 2.71Å; V51-S53 PolarHBondContact O-N 3.22Å; S53-K57 PolarHBondContact O-N 3.25Å; S53-F98 PolarHBondContact OG-O 2.71Å
54	F	83.2	Confident	76.9	Confident	111 Å²	111	68 Å²	68	49%	0.487	32%	0.323	S	S	.	.	H	α-helix	trans	-67.6	-48.8	173.9	-179.1	-96.1	0	0	0	112.6	L50 V51 F52 R56 K57 K58	L50-F54 WeakPolarHBondContact O-CB 3.42Å; L50-F54 PolarHBondContact O-N 3.3Å; V51-F54 PolarHBondContact O-N 3.23Å; F52-F54 VanDerWaalsContact C-N 3.3Å; F52-F54 PolarHBondContact O-N 3.23Å; F54-R56 VanDerWaalsContact C-N 3.29Å; F54-R56 PolarHBondContact O-N 3Å; F54-K57 PolarHBondContact O-N 3.16Å; F54-K58 HydrophobicContact CE1-CD 4.05Å; F54-K58 HydrophobicContact CZ-CD 3.76Å; F54-K58 WeakPolarHBondContact O-CB 3.33Å; F54-K58 PolarHBondContact O-N 2.85Å
55	I	79.6	Confident	74.9	Confident	53 Å²	53	70.7 Å²	70.7	27%	0.272	34%	0.335	S	S	.	.	H	α-helix	trans	-60.3	-43.6	178.7	-71.4	172	0	0	0	110	V51 F52 K58 F59 L559	V51-I55 HydrophobicContact CG1-CD1 3.61Å; V51-I55 HydrophobicContact CG1-CG1 4.25Å; V51-I55 WeakPolarHBondContact O-CB 3.49Å; V51-I55 VanDerWaalsContact O-CG1 3.29Å; V51-I55 WeakPolarHBondContact O-CG1 3.39Å; V51-I55 PolarHBondContact O-N 3.36Å; F52-I55 PolarHBondContact O-N 3.48Å; I55-K58 PolarHBondContact O-N 2.85Å; I55-F59 HydrophobicContact CG2-CB 4.4Å; I55-F59 HydrophobicContact CG2-CD2 4.5Å; I55-F59 CarbonylContact O-C 3.5Å; I55-F59 VanDerWaalsContact O-CA 3.32Å; I55-F59 WeakPolarHBondContact O-CA 3.38Å; I55-F59 WeakPolarHBondContact O-CB 2.84Å; I55-F59 PolarHBondContact O-N 3.19Å; I55-L559 HydrophobicContact CD1-CD2 3.98Å
56	R	77	Confident	72.9	Confident	25 Å²	25	69.8 Å²	69.8	9%	0.094	33%	0.331	C	S	.	.	H	α-helix	trans	-57.4	-57.3	174.1	174.5	168	175.3	168.3	-3.6	110.4	F52 F54 K58 F59 W60 W101 H634	F52-R56 VanDerWaalsContact O-CB 3.26Å; F52-R56 WeakPolarHBondContact O-CB 3.47Å; F52-R56 PolarHBondContact O-N 3.26Å; F54-R56 VanDerWaalsContact C-N 3.29Å; F54-R56 PolarHBondContact O-N 3Å; R56-K58 PolarHBondContact O-N 3.24Å; R56-K58 VanDerWaalsContact O-N 3.11Å; R56-F59 PolarHBondContact O-N 2.86Å; R56-W60 HydrophobicContact CB-CE3 4.05Å; R56-W60 HydrophobicContact CB-CZ3 4.46Å; R56-W60 HydrophobicContact CG-CB 4.36Å; R56-W60 HydrophobicContact CG-CD2 3.93Å; R56-W60 HydrophobicContact CG-CE3 3.56Å; R56-W60 HydrophobicContact CG-CG 4.32Å; R56-W60 HydrophobicContact CG-CZ3 4.04Å; R56-W60 WeakPolarHBondContact O-CB 3.22Å; R56-W60 PolarHBondContact O-N 2.92Å; R56-W101 VanDerWaalsContact NH1-CG 3.31Å; R56-H634 PolarHBondContact NH1-CE1 3.23Å
57	K	74.7	Confident	71	Confident	146 Å²	146	69 Å²	69	64%	0.635	33%	0.328	S	S	*	.	H	α-helix	trans	-58.2	-34.5	-176.5	-168.9	171.2	-177.6	172.7	0	113.9	S53 F54 F98	S53-K57 PolarHBondContact O-N 3.25Å; F54-K57 PolarHBondContact O-N 3.16Å; K57-F98 HydrophobicContact CD-CE1 4.39Å; K57-F98 HydrophobicContact CD-CE2 4.38Å; K57-F98 HydrophobicContact CD-CZ 4.06Å
58	K	72.1	Confident	69	Low	133 Å²	133	66 Å²	66	58%	0.578	32%	0.32	S	S	*	.	H	α-helix	trans	-95.8	-26.1	-174.3	-168.9	167.6	-176.7	173.9	0	114.8	F54 I55 R56	F54-K58 HydrophobicContact CE1-CD 4.05Å; F54-K58 HydrophobicContact CZ-CD 3.76Å; F54-K58 WeakPolarHBondContact O-CB 3.33Å; F54-K58 PolarHBondContact O-N 2.85Å; I55-K58 PolarHBondContact O-N 2.85Å; R56-K58 PolarHBondContact O-N 3.24Å; R56-K58 VanDerWaalsContact O-N 3.11Å
59	F	65.1	Low	66.8	Low	85 Å²	85	66 Å²	66	37%	0.373	32%	0.323	S	S	.	.	H	α-helix	trans	-134.1	22.1	-170.7	-54.6	-87.5	0	0	0	112.7	I55 R56 D61 Y62	I55-F59 HydrophobicContact CG2-CB 4.4Å; I55-F59 HydrophobicContact CG2-CD2 4.5Å; I55-F59 CarbonylContact O-C 3.5Å; I55-F59 VanDerWaalsContact O-CA 3.32Å; I55-F59 WeakPolarHBondContact O-CA 3.38Å; I55-F59 WeakPolarHBondContact O-CB 2.84Å; I55-F59 PolarHBondContact O-N 3.19Å; R56-F59 PolarHBondContact O-N 2.86Å; F59-D61 VanDerWaalsContact C-N 3.28Å; F59-D61 PolarHBondContact O-N 2.85Å; F59-Y62 HydrophobicContact CB-CD2 3.68Å; F59-Y62 HydrophobicContact CB-CE2 3.72Å; F59-Y62 HydrophobicContact CD1-CD2 4.29Å; F59-Y62 AromaticContact CD1-CE2 3.46Å; F59-Y62 HydrophobicContact CD1-CE2 3.46Å; F59-Y62 VanDerWaalsContact CD1-CE2 3.46Å; F59-Y62 AromaticContact CD1-CZ 3.8Å; F59-Y62 HydrophobicContact CG-CE2 4.06Å; F59-Y62 WeakPolarHBondContact O-CB 3.02Å; F59-Y62 WeakPolarHBondContact O-CD2 2.94Å; F59-Y62 PolarHBondContact O-N 2.71Å
60	W	59.7	Low	64.8	Low	50 Å²	50	67 Å²	67	19%	0.189	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-22.3	176.5	-165.5	-113.7	0	0	0	114.1	R56 Y62 G63 R64 H634 F638	R56-W60 HydrophobicContact CB-CE3 4.05Å; R56-W60 HydrophobicContact CB-CZ3 4.46Å; R56-W60 HydrophobicContact CG-CB 4.36Å; R56-W60 HydrophobicContact CG-CD2 3.93Å; R56-W60 HydrophobicContact CG-CE3 3.56Å; R56-W60 HydrophobicContact CG-CG 4.32Å; R56-W60 HydrophobicContact CG-CZ3 4.04Å; R56-W60 WeakPolarHBondContact O-CB 3.22Å; R56-W60 PolarHBondContact O-N 2.92Å; W60-Y62 PolarHBondContact O-N 3.16Å; W60-G63 PolarHBondContact O-N 3.25Å; W60-G63 VanDerWaalsContact O-N 3.07Å; W60-R64 PolarHBondContact O-N 2.99Å; W60-H634 AromaticContact CH2-NE2 3.93Å; W60-F638 HydrophobicContact CH2-CB 3.82Å; W60-F638 HydrophobicContact CH2-CG 4.22Å; W60-F638 HydrophobicContact CZ2-CB 3.81Å; W60-F638 AromaticContact CZ2-CD1 3.8Å; W60-F638 HydrophobicContact CZ2-CD1 3.8Å; W60-F638 AromaticContact CZ2-CG 3.94Å; W60-F638 HydrophobicContact CZ2-CG 3.94Å
61	D	51.7	Low	62.7	Low	107 Å²	107	67.5 Å²	67.5	57%	0.572	33%	0.331	S	S	*	.	H	α-helix	trans	-55	-29.8	174.9	-68.9	-25.4	0	0	0	112	F59 G63 R64 L65	F59-D61 VanDerWaalsContact C-N 3.28Å; F59-D61 PolarHBondContact O-N 2.85Å; D61-G63 PolarHBondContact O-N 3.43Å; D61-R64 PolarHBondContact O-N 3.35Å; D61-L65 HydrophobicContact CB-CD1 4.22Å; D61-L65 VanDerWaalsContact O-CB 3.25Å; D61-L65 WeakPolarHBondContact O-CB 3.5Å; D61-L65 VanDerWaalsContact O-CD1 3.28Å; D61-L65 WeakPolarHBondContact O-CD1 3.48Å; D61-L65 WeakPolarHBondContact O-CG 3.33Å; D61-L65 PolarHBondContact O-N 3.07Å
62	Y	51.6	Low	60.4	Low	88 Å²	88	72.3 Å²	72.3	35%	0.345	35%	0.351	S	S	.	.	H	α-helix	trans	-66.2	-34.2	-179	-64.8	-104.8	0	0	0	112.9	F59 W60 Y567	F59-Y62 HydrophobicContact CB-CD2 3.68Å; F59-Y62 HydrophobicContact CB-CE2 3.72Å; F59-Y62 HydrophobicContact CD1-CD2 4.29Å; F59-Y62 AromaticContact CD1-CE2 3.46Å; F59-Y62 HydrophobicContact CD1-CE2 3.46Å; F59-Y62 VanDerWaalsContact CD1-CE2 3.46Å; F59-Y62 AromaticContact CD1-CZ 3.8Å; F59-Y62 HydrophobicContact CG-CE2 4.06Å; F59-Y62 WeakPolarHBondContact O-CB 3.02Å; F59-Y62 WeakPolarHBondContact O-CD2 2.94Å; F59-Y62 PolarHBondContact O-N 2.71Å; W60-Y62 PolarHBondContact O-N 3.16Å; Y62-Y567 HydrophobicContact CD1-CE1 4.42Å
63	G	52	Low	58.1	Low	25 Å²	25	74.8 Å²	74.8	26%	0.258	38%	0.38	S	S	.	.	H	α-helix	trans	-78	-40.4	175.5	0	0	0	0	0	112.4	W60 D61 L67	W60-G63 PolarHBondContact O-N 3.25Å; W60-G63 VanDerWaalsContact O-N 3.07Å; D61-G63 PolarHBondContact O-N 3.43Å; G63-L67 PolarHBondContact O-N 2.97Å
64	R	54.3	Low	55.9	Low	96 Å²	96	80.6 Å²	80.6	36%	0.362	40%	0.404	S	S	.	.	H	α-helix	trans	-67.2	-43.2	179.6	-162.8	-175.5	-100.9	-163.7	1.4	111.2	W60 D61 A66 L67 V68 E95	W60-R64 PolarHBondContact O-N 2.99Å; D61-R64 PolarHBondContact O-N 3.35Å; R64-A66 VanDerWaalsContact C-N 3.34Å; R64-A66 PolarHBondContact O-N 2.62Å; R64-L67 PolarHBondContact O-N 2.81Å; R64-V68 HydrophobicContact CG-CG2 4.5Å; R64-V68 WeakPolarHBondContact O-CB 3.43Å; R64-V68 VanDerWaalsContact O-CG2 3.22Å; R64-V68 WeakPolarHBondContact O-CG2 3.28Å; R64-V68 PolarHBondContact O-N 2.99Å; R64-E95 IonicContact CZ-OE1 3.12Å; R64-E95 VanDerWaalsContact NH2-CD 3.33Å; R64-E95 IonicContact NH2-OE1 2.6Å; R64-E95 PolarHBondContact NH2-OE1 2.94Å; R64-E95 IonicContact NH2-OE2 3.63Å; R64-E95 PolarHBondContact NH2-OE2 3.05Å; R64-E95 VanDerWaalsContact NH2-OE2 3.11Å
65	L	49.2	Very low	53.5	Low	108 Å²	108	80.2 Å²	80.2	57%	0.565	41%	0.407	S	S	*	.	H	α-helix	trans	-60.5	-38.3	177.4	-85.9	151.9	0	0	0	113.3	D61 A69	D61-L65 HydrophobicContact CB-CD1 4.22Å; D61-L65 VanDerWaalsContact O-CB 3.25Å; D61-L65 WeakPolarHBondContact O-CB 3.5Å; D61-L65 VanDerWaalsContact O-CD1 3.28Å; D61-L65 WeakPolarHBondContact O-CD1 3.48Å; D61-L65 WeakPolarHBondContact O-CG 3.33Å; D61-L65 PolarHBondContact O-N 3.07Å; L65-A69 VanDerWaalsContact O-CB 3.22Å; L65-A69 WeakPolarHBondContact O-CB 3.32Å; L65-A69 PolarHBondContact O-N 2.76Å
66	A	49	Very low	51.4	Low	4 Å²	4	85 Å²	85	3%	0.033	43%	0.428	C	S	.	.	H	α-helix	trans	-73.1	-37	-179.7	0	0	0	0	0	112.5	R64 D70 Q587 A588	R64-A66 VanDerWaalsContact C-N 3.34Å; R64-A66 PolarHBondContact O-N 2.62Å; A66-D70 PolarHBondContact O-N 2.94Å; A66-Q587 HydrophobicContact CB-CB 4.19Å; A66-A588 HydrophobicContact CB-CB 3.96Å
67	L	52.5	Low	49.3	Very low	54 Å²	54	87.9 Å²	87.9	28%	0.283	45%	0.453	S	S	.	.	H	α-helix	trans	-71.4	-35.1	175.1	-68.6	173.2	0	0	0	112.4	G63 R64 F638	G63-L67 PolarHBondContact O-N 2.97Å; R64-L67 PolarHBondContact O-N 2.81Å; L67-F638 WeakPolarHBondContact CD1-O 3.45Å
68	V	50.2	Low	47.3	Very low	67 Å²	67	88.2 Å²	88.2	41%	0.406	45%	0.454	S	S	.	.	H	α-helix	trans	-73.4	-39.5	177.2	173	0	0	0	0	111.5	R64 D70 N71 E72	R64-V68 HydrophobicContact CG-CG2 4.5Å; R64-V68 WeakPolarHBondContact O-CB 3.43Å; R64-V68 VanDerWaalsContact O-CG2 3.22Å; R64-V68 WeakPolarHBondContact O-CG2 3.28Å; R64-V68 PolarHBondContact O-N 2.99Å; V68-D70 PolarHBondContact O-N 3.26Å; V68-N71 WeakPolarHBondContact O-CB 3.39Å; V68-N71 PolarHBondContact O-N 3.33Å; V68-E72 PolarHBondContact O-N 3.22Å; V68-E72 VanDerWaalsContact O-N 3.13Å
69	A	45.7	Very low	45.3	Very low	18 Å²	18	91.8 Å²	91.8	15%	0.149	47%	0.472	C	S	.	.	H	α-helix	trans	-64.9	-34.1	-179.8	0	0	0	0	0	113.6	L65 E72 G73 Q585	L65-A69 VanDerWaalsContact O-CB 3.22Å; L65-A69 WeakPolarHBondContact O-CB 3.32Å; L65-A69 PolarHBondContact O-N 2.76Å; A69-E72 PolarHBondContact O-N 3.21Å; A69-G73 PolarHBondContact O-N 2.83Å; A69-Q585 HydrophobicContact CB-CB 3.83Å; A69-Q585 HydrophobicContact CB-CG 3.95Å
70	D	46.5	Very low	43.5	Very low	59 Å²	59	96.1 Å²	96.1	32%	0.316	49%	0.486	S	S	.	.	H	α-helix	trans	-69.1	-36.2	174.3	-165.2	58.4	0	0	0	111.7	A66 V68 E72 G73 F74 L641	A66-D70 PolarHBondContact O-N 2.94Å; V68-D70 PolarHBondContact O-N 3.26Å; D70-E72 VanDerWaalsContact C-N 3.27Å; D70-E72 PolarHBondContact O-N 2.95Å; D70-G73 PolarHBondContact O-N 2.87Å; D70-F74 PolarHBondContact O-N 3.38Å; D70-F74 WeakPolarHBondContact OD1-CD2 3.3Å; D70-F74 WeakPolarHBondContact OD1-CE2 3.39Å; D70-L641 HydrophobicContact CB-CD2 4.24Å; D70-L641 WeakPolarHBondContact OD2-CD2 3.24Å
71	N	43.9	Very low	42.2	Very low	123 Å²	123	105.9 Å²	105.9	66%	0.658	52%	0.523	S	S	*	.	H	α-helix	trans	-63.4	-33.1	174.6	-122.1	7.5	0	0	0	112.4	V68	V68-N71 WeakPolarHBondContact O-CB 3.39Å; V68-N71 PolarHBondContact O-N 3.33Å
72	E	40.3	Very low	41	Very low	146 Å²	146	110 Å²	110	68%	0.682	53%	0.532	S	S	*	.	H	α-helix	trans	-79.1	-35.4	173.2	-69.3	-175.7	170.3	0	0	112.7	V68 A69 D70 F74	V68-E72 PolarHBondContact O-N 3.22Å; V68-E72 VanDerWaalsContact O-N 3.13Å; A69-E72 PolarHBondContact O-N 3.21Å; D70-E72 VanDerWaalsContact C-N 3.27Å; D70-E72 PolarHBondContact O-N 2.95Å; E72-F74 VanDerWaalsContact C-N 3.26Å; E72-F74 PolarHBondContact O-N 2.93Å
73	G	38.5	Very low	39.9	Very low	64 Å²	64	109.6 Å²	109.6	66%	0.66	56%	0.555	S	S	*	*	H	α-helix	trans	-69	-19.1	180	0	0	0	0	0	114.8	A69 D70	A69-G73 PolarHBondContact O-N 2.83Å; D70-G73 PolarHBondContact O-N 2.87Å
74	F	38.2	Very low	38.6	Very low	130 Å²	130	119 Å²	119	57%	0.57	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-8.3	-176	-94.4	-83.2	0	0	0	115.8	D70 E72	D70-F74 PolarHBondContact O-N 3.38Å; D70-F74 WeakPolarHBondContact OD1-CD2 3.3Å; D70-F74 WeakPolarHBondContact OD1-CE2 3.39Å; E72-F74 VanDerWaalsContact C-N 3.26Å; E72-F74 PolarHBondContact O-N 2.93Å
75	N	32.8	Very low	37.4	Very low	104 Å²	104	121.6 Å²	121.6	56%	0.556	60%	0.6	S	S	*	*			trans	-130.9	74.5	-173.5	-87	-26.1	0	0	0	113.6
76	E	33.9	Very low	36.3	Very low	152 Å²	152	120.9 Å²	120.9	71%	0.71	60%	0.602	S	S	*	*	S	Bend	trans	-98	-2.7	153.3	-112.6	-161.4	179.8	0	0	112.6	K750	E76-K750 IonicContact OE1-NZ 3.51Å; E76-K750 PolarHBondContact OE1-NZ 3.11Å; E76-K750 IonicContact OE2-NZ 3.35Å; E76-K750 PolarHBondContact OE2-NZ 2.8Å
77	S	33.8	Very low	35.3	Very low	87 Å²	87	126.2 Å²	126.2	61%	0.608	64%	0.639	S	S	*	*	S	Bend	trans	-150.5	62.4	-176.9	59.6	0	0	0	0	115
78	K	31.4	Very low	34.1	Very low	152 Å²	152	128 Å²	128	66%	0.661	65%	0.653	S	S	*	*			trans	166.2	105.1	143	-93.5	156.9	-174.6	170.3	0	109.1	R80	K78-R80 PolarHBondContact O-N 2.85Å
79	H	31.6	Very low	33.4	Very low	208 Å²	208	131.5 Å²	131.5	96%	0.963	67%	0.674	S	S	*	*			trans	-64.1	86.6	155.5	-83.8	-33.2	0	0	0	109.4
80	R	27.8	Very low	32.7	Very low	176 Å²	176	139 Å²	139	66%	0.664	71%	0.707	S	S	*	*			trans	-127.6	93	157.4	-95.4	-170.7	179.3	-171.2	-2.4	109	K78 Y82	K78-R80 PolarHBondContact O-N 2.85Å; R80-Y82 PolarHBondContact O-N 2.84Å
81	R	30.8	Very low	32.5	Very low	256 Å²	256	142.1 Å²	142.1	97%	0.966	72%	0.723	S	S	*	*				44.8	41.5	129	-141.1	-174.3	-74.6	179.8	-3.6	118.3
82	Y	28.1	Very low	32.7	Very low	193 Å²	193	138.9 Å²	138.9	76%	0.757	71%	0.709	S	S	*	*	S	Bend	trans	-90.8	134	144.1	-79.5	-87.1	0	0	0	107.3	R80 R84	R80-Y82 PolarHBondContact O-N 2.84Å; Y82-R84 PolarHBondContact O-N 3.2Å; Y82-R84 VanDerWaalsContact O-N 3.13Å
83	G	26.4	Very low	33	Very low	80 Å²	80	138.9 Å²	138.9	83%	0.825	71%	0.713	S	S	*	*			trans	-39.6	115.4	-166.1	0	0	0	0	0	113.7	M85	G83-M85 PolarHBondContact O-N 2.83Å; G83-M85 VanDerWaalsContact O-N 3.1Å
84	R	26	Very low	33.8	Very low	223 Å²	223	138.1 Å²	138.1	84%	0.842	69%	0.691	S	S	*	*			trans	-49.2	117	155	-169.9	-179.2	-148	161.9	4.9	105.8	Y82 P86	Y82-R84 PolarHBondContact O-N 3.2Å; Y82-R84 VanDerWaalsContact O-N 3.13Å; R84-P86 VanDerWaalsContact O-CD 3.27Å; R84-P86 WeakPolarHBondContact O-CD 3.29Å
85	M	27.8	Very low	34.5	Very low	149 Å²	149	135.3 Å²	135.3	73%	0.734	68%	0.679	S	S	*	*			trans	-50.2	113.7	162.8	-166	167.7	168.8	0	0	105.3	G83 S87	G83-M85 PolarHBondContact O-N 2.83Å; G83-M85 VanDerWaalsContact O-N 3.1Å; M85-S87 PolarHBondContact O-N 3.4Å
86	P	26.6	Very low	35.6	Very low	93 Å²	93	135 Å²	135	60%	0.604	69%	0.686	S	S	*	*			trans	-64.8	119	-179.3	27.8	-32.1	0	0	0	105.8	R84 T88	R84-P86 VanDerWaalsContact O-CD 3.27Å; R84-P86 WeakPolarHBondContact O-CD 3.29Å; P86-T88 WeakPolarHBondContact CB-OG1 3.42Å; P86-T88 PolarHBondContact O-N 2.93Å
87	S	29.1	Very low	36.9	Very low	116 Å²	116	129.6 Å²	129.6	81%	0.811	67%	0.67	S	S	*	*			trans	-70.6	53.8	166	55.1	0	0	0	0	109.2	M85	M85-S87 PolarHBondContact O-N 3.4Å
88	T	27.6	Very low	38.3	Very low	93 Å²	93	131 Å²	131	57%	0.571	67%	0.666	S	S	*	*			trans	-110.2	94.5	167.7	38.6	0	0	0	0	106.2	P86 E90	P86-T88 WeakPolarHBondContact CB-OG1 3.42Å; P86-T88 PolarHBondContact O-N 2.93Å; T88-E90 PolarHBondContact O-N 3.31Å
89	T	33.7	Very low	40.1	Very low	139 Å²	139	127.8 Å²	127.8	85%	0.853	66%	0.661	S	S	*	*	S	Bend		17.6	48.9	129.1	53	0	0	0	0	119.4
90	E	32	Very low	42.1	Very low	177 Å²	177	119.2 Å²	119.2	83%	0.827	63%	0.625	S	S	*	*			trans	-145.8	94.9	156.3	-69.3	-169.8	170.8	0	0	107.7	T88 P92	T88-E90 PolarHBondContact O-N 3.31Å; E90-P92 VanDerWaalsContact O-CD 3.28Å; E90-P92 WeakPolarHBondContact O-CD 3.49Å
91	D	41.2	Very low	44.4	Very low	124 Å²	124	111.3 Å²	111.3	66%	0.663	60%	0.595	S	S	*	*			trans	-61.5	117.4	165	-83.6	-40.2	0	0	0	107.1	D93	D91-D93 PolarHBondContact O-N 3.01Å
92	P	49.9	Very low	46.7	Very low	55 Å²	55	102.5 Å²	102.5	36%	0.357	57%	0.567	S	S	.	*			trans	-64.6	134.5	-174.2	24.8	-34.6	0	0	0	110.6	E90 Y94 E95	E90-P92 VanDerWaalsContact O-CD 3.28Å; E90-P92 WeakPolarHBondContact O-CD 3.49Å; P92-Y94 HydrophobicContact CB-CD1 3.58Å; P92-Y94 HydrophobicContact CB-CE1 3.36Å; P92-Y94 HydrophobicContact CG-CD1 3.74Å; P92-Y94 HydrophobicContact CG-CE1 3.05Å; P92-Y94 HydrophobicContact CG-CE2 4.22Å; P92-Y94 WeakPolarHBondContact CG-OH 3.38Å; P92-Y94 PolarHBondContact O-N 3.15Å; P92-E95 PolarHBondContact O-N 3.13Å
93	D	46.2	Very low	49.2	Very low	146 Å²	146	96.3 Å²	96.3	78%	0.781	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-49.1	-9.9	-176	-70.2	-41.9	0	0	0	116.2	D91 E95 S96	D91-D93 PolarHBondContact O-N 3.01Å; D93-E95 VanDerWaalsContact C-N 3.25Å; D93-E95 PolarHBondContact O-N 3.12Å; D93-S96 PolarHBondContact O-OG 2.88Å
94	Y	54.4	Low	51.8	Low	48 Å²	48	95.2 Å²	95.2	19%	0.188	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-72.1	-13.4	172.3	70.6	-109.7	0	0	0	113.7	P92 S100 F104 F638	P92-Y94 HydrophobicContact CB-CD1 3.58Å; P92-Y94 HydrophobicContact CB-CE1 3.36Å; P92-Y94 HydrophobicContact CG-CD1 3.74Å; P92-Y94 HydrophobicContact CG-CE1 3.05Å; P92-Y94 HydrophobicContact CG-CE2 4.22Å; P92-Y94 WeakPolarHBondContact CG-OH 3.38Å; P92-Y94 PolarHBondContact O-N 3.15Å; Y94-S100 PolarHBondContact O-OG 3.28Å; Y94-F104 AromaticContact CD1-CD2 3.7Å; Y94-F104 HydrophobicContact CD1-CD2 3.7Å; Y94-F104 AromaticContact CD1-CE2 3.61Å; Y94-F104 HydrophobicContact CD1-CE2 3.61Å; Y94-F104 HydrophobicContact CD1-CG 4.22Å; Y94-F104 HydrophobicContact CD1-CZ 4.08Å; Y94-F104 HydrophobicContact CE1-CD2 4.48Å; Y94-F104 AromaticContact CE1-CE2 3.97Å; Y94-F104 HydrophobicContact CE1-CE2 3.97Å; Y94-F104 HydrophobicContact CE1-CZ 4.07Å; Y94-F104 HydrophobicContact CG-CD2 4.13Å; Y94-F104 HydrophobicContact CG-CE2 4.42Å; Y94-F104 HydrophobicContact CG-CG 4.24Å; Y94-F638 HydrophobicContact CE2-CE1 4.22Å; Y94-F638 HydrophobicContact CE2-CZ 4.46Å
95	E	53.7	Low	54.5	Low	70 Å²	70	84.6 Å²	84.6	33%	0.327	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-86.8	-13.1	-178.7	-63.5	-160.9	164.8	0	0	114.5	R64 P92 D93	R64-E95 IonicContact CZ-OE1 3.12Å; R64-E95 VanDerWaalsContact NH2-CD 3.33Å; R64-E95 IonicContact NH2-OE1 2.6Å; R64-E95 PolarHBondContact NH2-OE1 2.94Å; R64-E95 IonicContact NH2-OE2 3.63Å; R64-E95 PolarHBondContact NH2-OE2 3.05Å; R64-E95 VanDerWaalsContact NH2-OE2 3.11Å; P92-E95 PolarHBondContact O-N 3.13Å; D93-E95 VanDerWaalsContact C-N 3.25Å; D93-E95 PolarHBondContact O-N 3.12Å
96	S	55	Low	57.2	Low	98 Å²	98	82.3 Å²	82.3	69%	0.685	48%	0.477	S	S	*	.	S	Bend	trans	-89.7	-27	-170.1	63.8	0	0	0	0	115.7	D93	D93-S96 PolarHBondContact O-OG 2.88Å
97	G	61.4	Low	59.9	Low	38 Å²	38	87.6 Å²	87.6	39%	0.392	49%	0.485	S	S	.	.	S	Bend	trans	-99.4	149.7	-175.5	0	0	0	0	0	115	C99 S100	G97-C99 PolarHBondContact O-N 3.07Å; G97-S100 WeakPolarHBondContact CA-OG 3.49Å; G97-S100 PolarHBondContact N-OG 2.97Å; G97-S100 PolarHBondContact O-OG 3.09Å
98	F	63.8	Low	62.4	Low	117 Å²	117	82.6 Å²	82.6	51%	0.513	45%	0.449	S	S	.	.	S	Bend	trans	-59.6	-33	175.5	-87.1	-88.9	0	0	0	113.1	S53 K57 W101	S53-F98 PolarHBondContact OG-O 2.71Å; K57-F98 HydrophobicContact CD-CE1 4.39Å; K57-F98 HydrophobicContact CD-CE2 4.38Å; K57-F98 HydrophobicContact CD-CZ 4.06Å; F98-W101 PolarHBondContact O-NE1 3.3Å
99	C	68.1	Low	65.1	Low	84 Å²	84	82.3 Å²	82.3	57%	0.568	44%	0.444	S	S	*	.	S	Bend	trans	-123.1	10.9	-179.5	-64.2	0	0	0	0	113.9	G97 W101 L102 P103	G97-C99 PolarHBondContact O-N 3.07Å; C99-W101 PolarHBondContact O-N 3.29Å; C99-W101 VanDerWaalsContact O-N 3.1Å; C99-L102 PolarHBondContact O-N 3.35Å; C99-P103 WeakPolarHBondContact O-CD 3.21Å
100	S	73.8	Confident	67.6	Low	28 Å²	28	79 Å²	79	20%	0.196	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-18	-179.4	49.7	0	0	0	0	113.4	Y94 G97 P103	Y94-S100 PolarHBondContact O-OG 3.28Å; G97-S100 WeakPolarHBondContact CA-OG 3.49Å; G97-S100 PolarHBondContact N-OG 2.97Å; G97-S100 PolarHBondContact O-OG 3.09Å; S100-P103 WeakPolarHBondContact O-CD 3.26Å; S100-P103 WeakPolarHBondContact O-CG 3.43Å
101	W	76.9	Confident	70.1	Confident	10 Å²	10	76.5 Å²	76.5	4%	0.038	41%	0.407	C	S	.	.	H	α-helix	trans	-69	-34.2	176.5	65.9	-89.7	0	0	0	114.2	L49 F52 R56 F98 C99 F104 I105 L558 L630	L49-W101 HydrophobicContact CD2-CH2 4.4Å; L49-W101 HydrophobicContact CD2-CZ2 4.23Å; F52-W101 HydrophobicContact CD1-CZ2 4.03Å; F52-W101 HydrophobicContact CE1-CD2 4.01Å; F52-W101 AromaticContact CE1-CE2 3.68Å; F52-W101 HydrophobicContact CE1-CE3 4.34Å; F52-W101 HydrophobicContact CE1-CH2 4.28Å; F52-W101 AromaticContact CE1-CZ2 3.83Å; F52-W101 HydrophobicContact CE1-CZ2 3.83Å; F52-W101 HydrophobicContact CE1-CZ3 4.5Å; F52-W101 AromaticContact CE1-NE1 3.94Å; R56-W101 VanDerWaalsContact NH1-CG 3.31Å; F98-W101 PolarHBondContact O-NE1 3.3Å; C99-W101 PolarHBondContact O-N 3.29Å; C99-W101 VanDerWaalsContact O-N 3.1Å; W101-F104 PolarHBondContact O-N 3.16Å; W101-I105 HydrophobicContact CD2-CD1 4.42Å; W101-I105 HydrophobicContact CE3-CD1 3.34Å; W101-I105 HydrophobicContact CZ3-CD1 3.88Å; W101-I105 WeakPolarHBondContact O-CD1 3.39Å; W101-I105 VanDerWaalsContact O-CG1 3.26Å; W101-I105 WeakPolarHBondContact O-CG1 3.34Å; W101-I105 PolarHBondContact O-N 3.35Å; W101-I105 VanDerWaalsContact O-N 3.11Å; W101-L558 HydrophobicContact CH2-CD1 4.32Å; W101-L558 HydrophobicContact CH2-CD2 3.77Å; W101-L558 HydrophobicContact CZ2-CD2 4.22Å; W101-L558 HydrophobicContact CZ3-CD1 4.24Å; W101-L558 HydrophobicContact CZ3-CD2 4.48Å; W101-L630 HydrophobicContact CZ3-CD2 4.31Å
102	L	78.9	Confident	72.2	Confident	72 Å²	72	75.9 Å²	75.9	38%	0.377	40%	0.398	S	S	.	.	H	α-helix	trans	-63.3	-52.9	-177.9	-168.6	74.6	0	0	0	112.2	C99 F104 I105 V106 L630	C99-L102 PolarHBondContact O-N 3.35Å; L102-F104 VanDerWaalsContact C-N 3.29Å; L102-F104 PolarHBondContact O-N 3.08Å; L102-I105 PolarHBondContact O-N 3.47Å; L102-V106 WeakPolarHBondContact O-CG2 3.13Å; L102-V106 PolarHBondContact O-N 3.1Å; L102-L630 HydrophobicContact CD1-CD1 3.76Å; L102-L630 HydrophobicContact CD1-CD2 3.61Å; L102-L630 HydrophobicContact CD1-CG 4.26Å
103	P	81.4	Confident	73.9	Confident	62 Å²	62	73.3 Å²	73.3	40%	0.403	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-32.2	177.7	25.8	-34.1	0	0	0	112.5	C99 S100 I105 R107	C99-P103 WeakPolarHBondContact O-CD 3.21Å; S100-P103 WeakPolarHBondContact O-CD 3.26Å; S100-P103 WeakPolarHBondContact O-CG 3.43Å; P103-I105 PolarHBondContact O-N 3.41Å; P103-R107 WeakPolarHBondContact O-CB 3.18Å; P103-R107 WeakPolarHBondContact O-CG 3.39Å; P103-R107 PolarHBondContact O-N 3.49Å
104	F	80.9	Confident	75.7	Confident	57 Å²	57	70.2 Å²	70.2	25%	0.25	36%	0.361	C	S	.	.	H	α-helix	trans	-59.7	-45.5	174.9	176.4	-96.2	0	0	0	111.7	Y94 W101 L102 R107 M108 F637 F638	Y94-F104 AromaticContact CD1-CD2 3.7Å; Y94-F104 HydrophobicContact CD1-CD2 3.7Å; Y94-F104 AromaticContact CD1-CE2 3.61Å; Y94-F104 HydrophobicContact CD1-CE2 3.61Å; Y94-F104 HydrophobicContact CD1-CG 4.22Å; Y94-F104 HydrophobicContact CD1-CZ 4.08Å; Y94-F104 HydrophobicContact CE1-CD2 4.48Å; Y94-F104 AromaticContact CE1-CE2 3.97Å; Y94-F104 HydrophobicContact CE1-CE2 3.97Å; Y94-F104 HydrophobicContact CE1-CZ 4.07Å; Y94-F104 HydrophobicContact CG-CD2 4.13Å; Y94-F104 HydrophobicContact CG-CE2 4.42Å; Y94-F104 HydrophobicContact CG-CG 4.24Å; W101-F104 PolarHBondContact O-N 3.16Å; L102-F104 VanDerWaalsContact C-N 3.29Å; L102-F104 PolarHBondContact O-N 3.08Å; F104-R107 CarbonylContact O-C 3.6Å; F104-R107 PolarHBondContact O-N 3.16Å; F104-M108 HydrophobicContact CE1-SD 4.05Å; F104-M108 WeakPolarHBondContact O-CB 3.48Å; F104-M108 PolarHBondContact O-N 2.92Å; F104-F637 HydrophobicContact CE1-CE1 4.27Å; F104-F638 HydrophobicContact CD1-CE2 4.31Å; F104-F638 AromaticContact CD1-CZ 3.99Å; F104-F638 HydrophobicContact CD1-CZ 3.99Å; F104-F638 HydrophobicContact CE1-CE2 4.19Å; F104-F638 AromaticContact CE1-CZ 3.67Å; F104-F638 HydrophobicContact CE1-CZ 3.67Å
105	I	82.9	Confident	77	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-69.2	-39.4	-176.9	-69.5	152.9	0	0	0	112	W101 L102 P103 R107 M108 L630 R633 H634 F638	W101-I105 HydrophobicContact CD2-CD1 4.42Å; W101-I105 HydrophobicContact CE3-CD1 3.34Å; W101-I105 HydrophobicContact CZ3-CD1 3.88Å; W101-I105 WeakPolarHBondContact O-CD1 3.39Å; W101-I105 VanDerWaalsContact O-CG1 3.26Å; W101-I105 WeakPolarHBondContact O-CG1 3.34Å; W101-I105 PolarHBondContact O-N 3.35Å; W101-I105 VanDerWaalsContact O-N 3.11Å; L102-I105 PolarHBondContact O-N 3.47Å; P103-I105 PolarHBondContact O-N 3.41Å; I105-R107 VanDerWaalsContact C-N 3.29Å; I105-R107 PolarHBondContact O-N 2.97Å; I105-M108 PolarHBondContact O-N 3.32Å; I105-L630 HydrophobicContact CG2-CG 4.46Å; I105-R633 HydrophobicContact CG2-CB 4.08Å; I105-R633 HydrophobicContact CG2-CG 3.88Å; I105-R633 WeakPolarHBondContact O-CD 3.33Å; I105-R633 PolarHBondContact O-NE 3.13Å; I105-H634 HydrophobicContact CD1-CB 3.71Å; I105-H634 WeakPolarHBondContact CD1-ND1 3.39Å; I105-H634 HydrophobicContact CG1-CB 4.5Å; I105-F638 HydrophobicContact CG1-CE2 4.35Å
106	V	83.6	Confident	78.3	Confident	100 Å²	100	77.5 Å²	77.5	61%	0.606	40%	0.395	S	S	*	.	H	α-helix	trans	-64.5	-37.1	176.5	175.3	0	0	0	0	110.9	L102 L630	L102-V106 WeakPolarHBondContact O-CG2 3.13Å; L102-V106 PolarHBondContact O-N 3.1Å; V106-L630 HydrophobicContact CG2-CD1 3.77Å
107	R	83.5	Confident	79.6	Confident	205 Å²	205	73.2 Å²	73.2	77%	0.774	37%	0.365	S	S	*	.	H	α-helix	trans	-89.3	-7.9	-179.2	-67.2	179.6	-177.9	-179.6	0.9	114.9	P103 F104 I105	P103-R107 WeakPolarHBondContact O-CB 3.18Å; P103-R107 WeakPolarHBondContact O-CG 3.39Å; P103-R107 PolarHBondContact O-N 3.49Å; F104-R107 CarbonylContact O-C 3.6Å; F104-R107 PolarHBondContact O-N 3.16Å; I105-R107 VanDerWaalsContact C-N 3.29Å; I105-R107 PolarHBondContact O-N 2.97Å
108	M	81.8	Confident	80.7	Confident	11 Å²	11	72.5 Å²	72.5	5%	0.054	36%	0.358	C	S	.	.			trans	-62	141.8	-176.8	-178	164.8	62.4	0	0	111	F104 I105 I113 R633 F637	F104-M108 HydrophobicContact CE1-SD 4.05Å; F104-M108 WeakPolarHBondContact O-CB 3.48Å; F104-M108 PolarHBondContact O-N 2.92Å; I105-M108 PolarHBondContact O-N 3.32Å; M108-I113 HydrophobicContact CE-CD1 3.62Å; M108-I113 HydrophobicContact CE-CG1 3.63Å; M108-I113 HydrophobicContact CG-CG1 4.26Å; M108-I113 HydrophobicContact SD-CG1 4.09Å; M108-R633 HydrophobicContact CE-CG 3.86Å; M108-R633 PolarHBondContact O-NH2 3.5Å; M108-F637 HydrophobicContact CE-CB 3.94Å; M108-F637 HydrophobicContact CE-CD2 3.96Å; M108-F637 HydrophobicContact CE-CG 3.94Å; M108-F637 HydrophobicContact SD-CB 4.36Å; M108-F637 HydrophobicContact SD-CD1 4.08Å; M108-F637 HydrophobicContact SD-CD2 3.46Å; M108-F637 WeakPolarHBondContact SD-CD2 3.32Å; M108-F637 HydrophobicContact SD-CE1 4.22Å; M108-F637 HydrophobicContact SD-CE2 3.61Å; M108-F637 HydrophobicContact SD-CG 3.7Å; M108-F637 HydrophobicContact SD-CZ 3.99Å
109	D	84.8	Confident	81.6	Confident	86 Å²	86	68.4 Å²	68.4	46%	0.46	34%	0.341	S	S	.	.			trans	-82.5	146.3	179.3	-56.1	-58.7	0	0	0	112.2	E111 K112 I113	D109-E111 VanDerWaalsContact C-N 3.27Å; D109-E111 PolarHBondContact O-N 3.15Å; D109-K112 HydrophobicContact CB-CD 4.4Å; D109-K112 HydrophobicContact CB-CG 4.41Å; D109-K112 PolarHBondContact O-N 3.1Å; D109-K112 IonicContact OD2-NZ 2.76Å; D109-K112 PolarHBondContact OD2-NZ 3.39Å; D109-K112 VanDerWaalsContact OD2-NZ 3.13Å; D109-I113 PolarHBondContact O-N 3.21Å
110	E	84.4	Confident	82.5	Confident	71 Å²	71	65.3 Å²	65.3	33%	0.332	32%	0.319	S	S	.	.	H	α-helix	trans	-62	-32.7	176.5	-70	-176.6	-176.7	0	0	112.1	K112 I113 K114 R129	E110-K112 PolarHBondContact O-N 3.16Å; E110-I113 PolarHBondContact O-N 2.84Å; E110-K114 PolarHBondContact O-N 2.59Å; E110-R129 IonicContact OE1-NH1 3.27Å; E110-R129 PolarHBondContact OE1-NH1 2.84Å
111	E	85.1	Confident	83.2	Confident	124 Å²	124	64 Å²	64	58%	0.579	31%	0.31	S	S	*	.	H	α-helix	trans	-66.9	-35.8	178.2	-64.8	-57.9	143.6	0	0	112.7	D109 I113 K114 E115	D109-E111 VanDerWaalsContact C-N 3.27Å; D109-E111 PolarHBondContact O-N 3.15Å; E111-I113 VanDerWaalsContact C-N 3.3Å; E111-I113 PolarHBondContact O-N 3.45Å; E111-K114 WeakPolarHBondContact O-CB 3.48Å; E111-K114 PolarHBondContact O-N 2.89Å; E111-K114 IonicContact OE2-NZ 3.04Å; E111-K114 PolarHBondContact OE2-NZ 3.01Å; E111-E115 PolarHBondContact O-N 3.46Å
112	K	85.1	Confident	83.8	Confident	110 Å²	110	64.2 Å²	64.2	48%	0.478	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-37.1	174.7	-71.2	175.2	-179.7	155.4	0	111.7	D109 E110 K116	D109-K112 HydrophobicContact CB-CD 4.4Å; D109-K112 HydrophobicContact CB-CG 4.41Å; D109-K112 PolarHBondContact O-N 3.1Å; D109-K112 IonicContact OD2-NZ 2.76Å; D109-K112 PolarHBondContact OD2-NZ 3.39Å; D109-K112 VanDerWaalsContact OD2-NZ 3.13Å; E110-K112 PolarHBondContact O-N 3.16Å; K112-K116 WeakPolarHBondContact O-CB 3.26Å; K112-K116 PolarHBondContact O-N 3.2Å
113	I	85.6	Confident	84.2	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-67.2	-42.3	174.9	-60.8	175.3	0	0	0	109.9	M108 D109 E110 E111 E115 K116 C117 A121 V122 L125 R633 F637	M108-I113 HydrophobicContact CE-CD1 3.62Å; M108-I113 HydrophobicContact CE-CG1 3.63Å; M108-I113 HydrophobicContact CG-CG1 4.26Å; M108-I113 HydrophobicContact SD-CG1 4.09Å; D109-I113 PolarHBondContact O-N 3.21Å; E110-I113 PolarHBondContact O-N 2.84Å; E111-I113 VanDerWaalsContact C-N 3.3Å; E111-I113 PolarHBondContact O-N 3.45Å; I113-E115 PolarHBondContact O-N 3.41Å; I113-K116 PolarHBondContact O-N 3.2Å; I113-C117 HydrophobicContact CG2-CB 4.12Å; I113-C117 WeakPolarHBondContact O-CA 3.27Å; I113-C117 VanDerWaalsContact O-CB 3.24Å; I113-C117 WeakPolarHBondContact O-CB 3.45Å; I113-C117 PolarHBondContact O-N 3.33Å; I113-A121 HydrophobicContact CG2-CB 4.21Å; I113-V122 HydrophobicContact CG2-CG2 4.49Å; I113-L125 HydrophobicContact CD1-CD1 3.85Å; I113-L125 HydrophobicContact CG2-CD1 4.18Å; I113-R633 HydrophobicContact CD1-CG 4.1Å; I113-F637 HydrophobicContact CG1-CD2 4.42Å
114	K	84.9	Confident	84.7	Confident	81 Å²	81	58.7 Å²	58.7	35%	0.352	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-44.6	178.3	-176.4	174.9	150.1	-154.6	0	112.3	E110 E111 G118 M119 V122	E110-K114 PolarHBondContact O-N 2.59Å; E111-K114 WeakPolarHBondContact O-CB 3.48Å; E111-K114 PolarHBondContact O-N 2.89Å; E111-K114 IonicContact OE2-NZ 3.04Å; E111-K114 PolarHBondContact OE2-NZ 3.01Å; K114-G118 WeakPolarHBondContact O-CA 3.29Å; K114-G118 PolarHBondContact O-N 3.49Å; K114-M119 HydrophobicContact CD-SD 3.57Å; K114-M119 VanDerWaalsContact CD-SD 3.57Å; K114-M119 WeakPolarHBondContact CE-SD 3.44Å; K114-M119 HydrophobicContact CG-SD 3.66Å; K114-V122 HydrophobicContact CB-CG2 3.77Å; K114-V122 HydrophobicContact CG-CG2 4.31Å
115	E	81.5	Confident	85.3	Confident	176 Å²	176	56.4 Å²	56.4	82%	0.822	27%	0.269	S	S	*	.	H	α-helix	trans	-65.1	-41.1	179.8	-170.8	178.7	-176.9	0	0	112	E111 I113	E111-E115 PolarHBondContact O-N 3.46Å; I113-E115 PolarHBondContact O-N 3.41Å
116	K	81.6	Confident	85.7	Confident	94 Å²	94	57 Å²	57	41%	0.409	27%	0.274	S	S	.	.	H	α-helix	trans	-85.2	-46.5	-176.8	-169.4	-178.5	-173.5	-176.7	0	114.1	K112 I113 F637	K112-K116 WeakPolarHBondContact O-CB 3.26Å; K112-K116 PolarHBondContact O-N 3.2Å; I113-K116 PolarHBondContact O-N 3.2Å; K116-F637 HydrophobicContact CB-CE2 4.2Å; K116-F637 HydrophobicContact CD-CD1 4.37Å; K116-F637 HydrophobicContact CD-CD2 3.74Å; K116-F637 HydrophobicContact CD-CE1 4.12Å; K116-F637 HydrophobicContact CD-CE2 3.43Å; K116-F637 VanDerWaalsContact CD-CE2 3.43Å; K116-F637 HydrophobicContact CD-CG 4.21Å; K116-F637 HydrophobicContact CD-CZ 3.65Å; K116-F637 WeakPolarHBondContact CE-O 3.36Å; K116-F637 HydrophobicContact CG-CE2 4.45Å; K116-F637 PolarHBondContact NZ-O 2.8Å
117	C	81.9	Confident	86.1	Confident	8 Å²	8	52.3 Å²	52.3	5%	0.054	25%	0.245	C	C	.	.	H	α-helix	trans	-102.3	-11.5	-169.4	-54.4	0	0	0	0	112.9	I113 A121 L636 P642	I113-C117 HydrophobicContact CG2-CB 4.12Å; I113-C117 WeakPolarHBondContact O-CA 3.27Å; I113-C117 VanDerWaalsContact O-CB 3.24Å; I113-C117 WeakPolarHBondContact O-CB 3.45Å; I113-C117 PolarHBondContact O-N 3.33Å; C117-A121 HydrophobicContact CB-CB 3.59Å; C117-L636 PolarHBondContact SG-O 3.42Å; C117-P642 WeakPolarHBondContact O-CB 3.45Å
118	G	83.3	Confident	86.6	Confident	24 Å²	24	42.6 Å²	42.6	25%	0.247	21%	0.208	C	C	.	.			trans	85.2	177.7	-177.7	0	0	0	0	0	114.3	K114	K114-G118 WeakPolarHBondContact O-CA 3.29Å; K114-G118 PolarHBondContact O-N 3.49Å
119	M	83.3	Confident	87.2	Confident	30 Å²	30	47.6 Å²	47.6	15%	0.148	23%	0.227	C	C	.	.	H	α-helix	trans	-69.5	-32.5	-173.6	-69.9	-71.4	-78	0	0	113.7	K114 A121 V122 H123 M206	K114-M119 HydrophobicContact CD-SD 3.57Å; K114-M119 VanDerWaalsContact CD-SD 3.57Å; K114-M119 WeakPolarHBondContact CE-SD 3.44Å; K114-M119 HydrophobicContact CG-SD 3.66Å; M119-A121 VanDerWaalsContact C-N 3.29Å; M119-A121 PolarHBondContact O-N 2.85Å; M119-V122 WeakPolarHBondContact O-CB 3.29Å; M119-V122 PolarHBondContact O-N 3.32Å; M119-H123 PolarHBondContact O-N 3.22Å; M119-H123 PolarHBondContact O-ND1 3.3Å; M119-M206 HydrophobicContact CE-CB 3.59Å; M119-M206 HydrophobicContact CE-CE 3.27Å; M119-M206 HydrophobicContact CE-CG 4.02Å; M119-M206 HydrophobicContact CE-SD 4.43Å; M119-M206 HydrophobicContact SD-CE 3.96Å
120	D	86.6	Confident	87.6	Confident	19 Å²	19	44.7 Å²	44.7	10%	0.102	21%	0.21	C	C	.	.	H	α-helix	trans	-67.4	-31.9	-177.7	-63.2	-37.7	0	0	0	112.2	H123 Y124 Y593 R644 L645 H650	D120-H123 PolarHBondContact O-N 3.4Å; D120-H123 IonicContact OD1-ND1 4Å; D120-Y124 WeakPolarHBondContact O-CB 3.09Å; D120-Y124 PolarHBondContact O-N 3.39Å; D120-Y593 HydrophobicContact CB-CE2 3.95Å; D120-R644 WeakPolarHBondContact OD2-CA 3.34Å; D120-L645 PolarHBondContact OD2-N 3.04Å; D120-H650 PolarHBondContact O-CE1 2.77Å; D120-H650 IonicContact OD1-CD2 3.69Å; D120-H650 IonicContact OD1-NE2 2.93Å; D120-H650 PolarHBondContact OD1-NE2 3.2Å
121	A	88.9	Confident	88.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-42.5	174.7	0	0	0	0	0	110.9	I113 C117 M119 H123 Y124 L125 Y593 L636	I113-A121 HydrophobicContact CG2-CB 4.21Å; C117-A121 HydrophobicContact CB-CB 3.59Å; M119-A121 VanDerWaalsContact C-N 3.29Å; M119-A121 PolarHBondContact O-N 2.85Å; A121-H123 VanDerWaalsContact C-N 3.34Å; A121-H123 PolarHBondContact O-N 3.06Å; A121-Y124 PolarHBondContact O-N 3.13Å; A121-L125 WeakPolarHBondContact O-CB 3.27Å; A121-L125 WeakPolarHBondContact O-CG 3.4Å; A121-L125 PolarHBondContact O-N 2.9Å; A121-Y593 WeakPolarHBondContact CA-OH 3.49Å; A121-Y593 WeakPolarHBondContact CB-OH 3.25Å; A121-Y593 PolarHBondContact N-OH 2.85Å; A121-L636 HydrophobicContact CB-CD1 4.4Å; A121-L636 HydrophobicContact CB-CD2 4.32Å
122	V	88.9	Confident	88.6	Confident	15 Å²	15	36.4 Å²	36.4	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-42.4	175.9	-178.7	0	0	0	0	110.6	I113 K114 M119 S126 M206	I113-V122 HydrophobicContact CG2-CG2 4.49Å; K114-V122 HydrophobicContact CB-CG2 3.77Å; K114-V122 HydrophobicContact CG-CG2 4.31Å; M119-V122 WeakPolarHBondContact O-CB 3.29Å; M119-V122 PolarHBondContact O-N 3.32Å; V122-S126 WeakPolarHBondContact O-CB 3.37Å; V122-S126 PolarHBondContact O-N 2.93Å; V122-M206 HydrophobicContact CG1-CE 4.13Å
123	H	88.6	Confident	89.1	Confident	18 Å²	18	34.4 Å²	34.4	8%	0.083	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-45.2	176.1	-72.2	152.1	0	0	0	112.5	M119 D120 A121 S126 F127 M203	M119-H123 PolarHBondContact O-N 3.22Å; M119-H123 PolarHBondContact O-ND1 3.3Å; D120-H123 PolarHBondContact O-N 3.4Å; D120-H123 IonicContact OD1-ND1 4Å; A121-H123 VanDerWaalsContact C-N 3.34Å; A121-H123 PolarHBondContact O-N 3.06Å; H123-S126 PolarHBondContact O-N 3.15Å; H123-F127 WeakPolarHBondContact O-CB 3.09Å; H123-F127 PolarHBondContact O-N 3.41Å; H123-M203 HydrophobicContact CB-CE 3.73Å
124	Y	92.1	Very high	89.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-49.3	176.8	176.5	-94.1	0	0	0	112.6	D120 A121 S126 F127 Q128 F591 Y593 M596 Y597 D632 L636	D120-Y124 WeakPolarHBondContact O-CB 3.09Å; D120-Y124 PolarHBondContact O-N 3.39Å; A121-Y124 PolarHBondContact O-N 3.13Å; Y124-S126 VanDerWaalsContact C-N 3.33Å; Y124-S126 PolarHBondContact O-N 2.98Å; Y124-F127 WeakPolarHBondContact O-CB 3.3Å; Y124-F127 PolarHBondContact O-N 2.98Å; Y124-Q128 HydrophobicContact CE1-CG 4.38Å; Y124-Q128 VanDerWaalsContact CE1-NE2 3.33Å; Y124-Q128 VanDerWaalsContact CZ-NE2 3.32Å; Y124-Q128 PolarHBondContact O-N 3.14Å; Y124-Q128 VanDerWaalsContact O-N 3.14Å; Y124-Q128 PolarHBondContact OH-NE2 3.4Å; Y124-F591 HydrophobicContact CD1-CE1 4.33Å; Y124-F591 HydrophobicContact CD1-CZ 4.49Å; Y124-F591 HydrophobicContact CE1-CE1 4.22Å; Y124-F591 HydrophobicContact CE1-CZ 4.04Å; Y124-F591 HydrophobicContact CE2-CE1 4.46Å; Y124-F591 HydrophobicContact CG-CE1 4.5Å; Y124-Y593 AromaticContact CD2-CD1 3.76Å; Y124-Y593 HydrophobicContact CD2-CD1 3.76Å; Y124-Y593 HydrophobicContact CD2-CE1 4.29Å; Y124-Y593 AromaticContact CG-CD1 3.86Å; Y124-Y593 HydrophobicContact CG-CD1 3.86Å; Y124-Y593 AromaticContact CG-CE1 3.9Å; Y124-Y593 HydrophobicContact CG-CE1 3.9Å; Y124-M596 HydrophobicContact CE2-CB 4.01Å; Y124-Y597 VanDerWaalsContact CA-OH 3.27Å; Y124-Y597 WeakPolarHBondContact CA-OH 3.08Å; Y124-Y597 HydrophobicContact CD2-CD1 4.06Å; Y124-Y597 HydrophobicContact CD2-CD2 4.26Å; Y124-Y597 AromaticContact CD2-CE1 3.57Å; Y124-Y597 HydrophobicContact CD2-CE1 3.57Å; Y124-Y597 AromaticContact CD2-CE2 3.77Å; Y124-Y597 HydrophobicContact CD2-CE2 3.77Å; Y124-Y597 HydrophobicContact CD2-CG 4.37Å; Y124-Y597 AromaticContact CD2-CZ 3.4Å; Y124-Y597 HydrophobicContact CE2-CD1 4.02Å; Y124-Y597 HydrophobicContact CE2-CD2 4.49Å; Y124-Y597 AromaticContact CE2-CE1 3.98Å; Y124-Y597 HydrophobicContact CE2-CE1 3.98Å; Y124-Y597 HydrophobicContact CE2-CE2 4.43Å; Y124-Y597 HydrophobicContact CE2-CG 4.26Å; Y124-D632 HydrophobicContact CE1-CB 3.92Å; Y124-D632 WeakPolarHBondContact CE1-OD2 3.43Å; Y124-D632 PolarHBondContact OH-OD2 3.19Å; Y124-L636 HydrophobicContact CD1-CD1 3.97Å; Y124-L636 HydrophobicContact CE1-CD1 4.45Å
125	L	92.3	Very high	90.1	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.052	15%	0.149	C	C	.	.	H	α-helix	trans	-65.9	-37.8	178.2	-68.6	176.1	0	0	0	111.7	I113 A121 F127 Q128 R129 H629 D632 R633 L636	I113-L125 HydrophobicContact CD1-CD1 3.85Å; I113-L125 HydrophobicContact CG2-CD1 4.18Å; A121-L125 WeakPolarHBondContact O-CB 3.27Å; A121-L125 WeakPolarHBondContact O-CG 3.4Å; A121-L125 PolarHBondContact O-N 2.9Å; L125-F127 VanDerWaalsContact C-N 3.32Å; L125-F127 PolarHBondContact O-N 3.14Å; L125-Q128 PolarHBondContact O-N 3.38Å; L125-R129 PolarHBondContact O-N 3.09Å; L125-H629 PolarHBondContact O-CE1 3.43Å; L125-D632 HydrophobicContact CD2-CB 4.46Å; L125-R633 HydrophobicContact CD1-CB 4.48Å; L125-R633 HydrophobicContact CD1-CG 4.27Å; L125-R633 HydrophobicContact CD2-CB 4.1Å; L125-L636 HydrophobicContact CD1-CD1 4.25Å; L125-L636 HydrophobicContact CD2-CD1 4.03Å; L125-L636 HydrophobicContact CG-CD1 4.01Å
126	S	91	Very high	90.9	Very high	13 Å²	13	25.1 Å²	25.1	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-64.1	-38.2	174.1	179.8	0	0	0	0	111.4	V122 H123 Y124 R129 H130 H199	V122-S126 WeakPolarHBondContact O-CB 3.37Å; V122-S126 PolarHBondContact O-N 2.93Å; H123-S126 PolarHBondContact O-N 3.15Å; Y124-S126 VanDerWaalsContact C-N 3.33Å; Y124-S126 PolarHBondContact O-N 2.98Å; S126-R129 PolarHBondContact O-N 2.99Å; S126-H130 PolarHBondContact O-N 3.08Å; S126-H130 PolarHBondContact O-ND1 2.95Å; S126-H130 PolarHBondContact OG-CE1 3.38Å; S126-H199 PolarHBondContact OG-ND1 3.07Å
127	F	92.8	Very high	91.6	Very high	1 Å²	1	23.7 Å²	23.7	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-49.2	177	171.9	-99.6	0	0	0	110.9	H123 Y124 L125 R129 H130 L131 L196 H199 Y597 L601 V654 A657	H123-F127 WeakPolarHBondContact O-CB 3.09Å; H123-F127 PolarHBondContact O-N 3.41Å; Y124-F127 WeakPolarHBondContact O-CB 3.3Å; Y124-F127 PolarHBondContact O-N 2.98Å; L125-F127 VanDerWaalsContact C-N 3.32Å; L125-F127 PolarHBondContact O-N 3.14Å; F127-R129 VanDerWaalsContact C-N 3.31Å; F127-R129 PolarHBondContact O-N 2.96Å; F127-H130 PolarHBondContact O-N 3.03Å; F127-H130 VanDerWaalsContact O-N 3.14Å; F127-L131 HydrophobicContact CD1-CD1 4.14Å; F127-L131 HydrophobicContact CE1-CD1 3.42Å; F127-L131 VanDerWaalsContact CE1-CD1 3.42Å; F127-L131 HydrophobicContact CE1-CG 4.15Å; F127-L131 HydrophobicContact CE2-CD1 4.46Å; F127-L131 HydrophobicContact CE2-CG 4.49Å; F127-L131 HydrophobicContact CZ-CD1 3.6Å; F127-L131 HydrophobicContact CZ-CD2 4.35Å; F127-L131 HydrophobicContact CZ-CG 4.08Å; F127-L131 PolarHBondContact O-N 3.36Å; F127-L131 VanDerWaalsContact O-N 3.15Å; F127-L196 HydrophobicContact CE2-CD2 4.09Å; F127-H199 VanDerWaalsContact CA-CE1 3.43Å; F127-H199 WeakPolarHBondContact CA-CE1 3.48Å; F127-H199 AromaticContact CD2-CD2 3.95Å; F127-H199 AromaticContact CD2-NE2 3.79Å; F127-H199 PolarHBondContact N-CE1 3.12Å; F127-H199 VanDerWaalsContact N-CE1 3.33Å; F127-Y597 HydrophobicContact CB-CE1 4.35Å; F127-Y597 AromaticContact CD1-CD1 3.99Å; F127-Y597 HydrophobicContact CD1-CD1 3.99Å; F127-Y597 AromaticContact CD1-CE1 3.52Å; F127-Y597 HydrophobicContact CD1-CE1 3.52Å; F127-Y597 AromaticContact CE1-CD1 3.97Å; F127-Y597 HydrophobicContact CE1-CD1 3.97Å; F127-Y597 AromaticContact CE1-CE1 3.95Å; F127-Y597 HydrophobicContact CE1-CE1 3.95Å; F127-Y597 AromaticContact CG-CE1 3.98Å; F127-Y597 HydrophobicContact CG-CE1 3.98Å; F127-L601 HydrophobicContact CE1-CD2 4.24Å; F127-L601 HydrophobicContact CZ-CD2 3.81Å; F127-V654 HydrophobicContact CD2-CG2 4.15Å; F127-V654 HydrophobicContact CE2-CG2 4.12Å; F127-A657 HydrophobicContact CE2-CB 4.31Å; F127-A657 HydrophobicContact CZ-CB 4.1Å
128	Q	94.8	Very high	92.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-57.2	-42.8	175.9	-69.1	-178.5	-31.7	0	0	112.5	Y124 L125 H130 L131 I132 H629 D632	Y124-Q128 HydrophobicContact CE1-CG 4.38Å; Y124-Q128 VanDerWaalsContact CE1-NE2 3.33Å; Y124-Q128 VanDerWaalsContact CZ-NE2 3.32Å; Y124-Q128 PolarHBondContact O-N 3.14Å; Y124-Q128 VanDerWaalsContact O-N 3.14Å; Y124-Q128 PolarHBondContact OH-NE2 3.4Å; L125-Q128 PolarHBondContact O-N 3.38Å; Q128-H130 VanDerWaalsContact C-N 3.32Å; Q128-H130 PolarHBondContact O-N 3.06Å; Q128-L131 PolarHBondContact O-N 3.5Å; Q128-L131 VanDerWaalsContact O-N 3.15Å; Q128-I132 WeakPolarHBondContact O-CG1 3.5Å; Q128-I132 PolarHBondContact O-N 3.03Å; Q128-H629 PolarHBondContact OE1-ND1 2.99Å; Q128-D632 PolarHBondContact NE2-OD2 3.24Å
129	R	93.3	Very high	92.8	Very high	116 Å²	116	22.8 Å²	22.8	44%	0.438	11%	0.114	S	C	.	.	H	α-helix	trans	-59.5	-39.6	177.5	179.8	177.5	160.3	-175.3	-1.2	112.6	E110 L125 S126 F127 I132 I133	E110-R129 IonicContact OE1-NH1 3.27Å; E110-R129 PolarHBondContact OE1-NH1 2.84Å; L125-R129 PolarHBondContact O-N 3.09Å; S126-R129 PolarHBondContact O-N 2.99Å; F127-R129 VanDerWaalsContact C-N 3.31Å; F127-R129 PolarHBondContact O-N 2.96Å; R129-I132 PolarHBondContact O-N 3.35Å; R129-I133 HydrophobicContact CG-CD1 4.22Å; R129-I133 VanDerWaalsContact O-CG1 3.31Å; R129-I133 WeakPolarHBondContact O-CG1 3.41Å; R129-I133 PolarHBondContact O-N 2.75Å
130	H	92.9	Very high	93.5	Very high	26 Å²	26	25.8 Å²	25.8	12%	0.12	13%	0.133	C	C	.	.	H	α-helix	trans	-69.4	-36.3	176.7	-70.9	75.6	0	0	0	111.7	S126 F127 Q128 I133 L134 H199	S126-H130 PolarHBondContact O-N 3.08Å; S126-H130 PolarHBondContact O-ND1 2.95Å; S126-H130 PolarHBondContact OG-CE1 3.38Å; F127-H130 PolarHBondContact O-N 3.03Å; F127-H130 VanDerWaalsContact O-N 3.14Å; Q128-H130 VanDerWaalsContact C-N 3.32Å; Q128-H130 PolarHBondContact O-N 3.06Å; H130-I133 PolarHBondContact O-N 3.44Å; H130-L134 WeakPolarHBondContact O-CB 3.22Å; H130-L134 PolarHBondContact O-N 3.21Å; H130-H199 HydrophobicContact CB-CB 4.33Å; H130-H199 AromaticContact CE1-ND1 3.55Å; H130-H199 AromaticContact ND1-CG 3.96Å; H130-H199 AromaticContact ND1-ND1 3.4Å; H130-H199 PolarHBondContact ND1-ND1 3.13Å
131	L	94.8	Very high	93.8	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-66	-37	172.5	-66	-174.6	0	0	0	112.5	F127 Q128 L134 L135 L196 F604 M625	F127-L131 HydrophobicContact CD1-CD1 4.14Å; F127-L131 HydrophobicContact CE1-CD1 3.42Å; F127-L131 VanDerWaalsContact CE1-CD1 3.42Å; F127-L131 HydrophobicContact CE1-CG 4.15Å; F127-L131 HydrophobicContact CE2-CD1 4.46Å; F127-L131 HydrophobicContact CE2-CG 4.49Å; F127-L131 HydrophobicContact CZ-CD1 3.6Å; F127-L131 HydrophobicContact CZ-CD2 4.35Å; F127-L131 HydrophobicContact CZ-CG 4.08Å; F127-L131 PolarHBondContact O-N 3.36Å; F127-L131 VanDerWaalsContact O-N 3.15Å; Q128-L131 PolarHBondContact O-N 3.5Å; Q128-L131 VanDerWaalsContact O-N 3.15Å; L131-L134 HydrophobicContact CD2-CD2 4.4Å; L131-L134 WeakPolarHBondContact O-CB 3.4Å; L131-L134 PolarHBondContact O-N 3.32Å; L131-L135 WeakPolarHBondContact O-CB 3.42Å; L131-L135 PolarHBondContact O-N 2.93Å; L131-L196 HydrophobicContact CD2-CD2 4.41Å; L131-F604 HydrophobicContact CD1-CG 4.41Å; L131-F604 HydrophobicContact CD2-CD2 4.48Å; L131-F604 HydrophobicContact CD2-CE1 4.13Å; L131-F604 HydrophobicContact CD2-CE2 4.11Å; L131-F604 HydrophobicContact CD2-CZ 3.92Å; L131-M625 HydrophobicContact CB-CE 3.66Å; L131-M625 HydrophobicContact CD1-CE 3.84Å; L131-M625 HydrophobicContact CG-CE 4.42Å
132	I	96.3	Very high	94	Very high	19 Å²	19	26.3 Å²	26.3	10%	0.097	14%	0.137	C	C	.	.	H	α-helix	trans	-62.2	-49.2	173.7	-70.3	162.2	0	0	0	110.1	Q128 R129 L134 L135 V136 L622 M625 L626 H629	Q128-I132 WeakPolarHBondContact O-CG1 3.5Å; Q128-I132 PolarHBondContact O-N 3.03Å; R129-I132 PolarHBondContact O-N 3.35Å; I132-L134 VanDerWaalsContact C-N 3.28Å; I132-L134 PolarHBondContact O-N 3.21Å; I132-L135 PolarHBondContact O-N 3.49Å; I132-L135 VanDerWaalsContact O-N 3.15Å; I132-V136 HydrophobicContact CG2-CG2 4.39Å; I132-V136 WeakPolarHBondContact O-CG2 3.35Å; I132-V136 PolarHBondContact O-N 3.32Å; I132-L622 HydrophobicContact CG2-CD1 4.05Å; I132-M625 HydrophobicContact CG1-CB 3.74Å; I132-L626 HydrophobicContact CD1-CD2 4.28Å; I132-L626 HydrophobicContact CG2-CD2 3.82Å; I132-H629 HydrophobicContact CD1-CB 3.72Å
133	I	96.1	Very high	94.2	Very high	68 Å²	68	28.7 Å²	28.7	35%	0.349	15%	0.149	S	C	.	.	H	α-helix	trans	-58.1	-44	177.9	-67.4	163.8	0	0	0	110.6	R129 H130 V136 I137 M195	R129-I133 HydrophobicContact CG-CD1 4.22Å; R129-I133 VanDerWaalsContact O-CG1 3.31Å; R129-I133 WeakPolarHBondContact O-CG1 3.41Å; R129-I133 PolarHBondContact O-N 2.75Å; H130-I133 PolarHBondContact O-N 3.44Å; I133-V136 PolarHBondContact O-N 3.03Å; I133-I137 HydrophobicContact CG2-CD1 4.36Å; I133-I137 WeakPolarHBondContact O-CG1 3.49Å; I133-I137 PolarHBondContact O-N 3.2Å; I133-M195 HydrophobicContact CG2-CE 4.38Å; I133-M195 HydrophobicContact CG2-SD 4.27Å
134	L	95.4	Very high	94.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-57.9	-50	174.9	174.8	63.7	0	0	0	111.5	H130 L131 I132 V136 I137 I138 L191 T192 M195 F604	H130-L134 WeakPolarHBondContact O-CB 3.22Å; H130-L134 PolarHBondContact O-N 3.21Å; L131-L134 HydrophobicContact CD2-CD2 4.4Å; L131-L134 WeakPolarHBondContact O-CB 3.4Å; L131-L134 PolarHBondContact O-N 3.32Å; I132-L134 VanDerWaalsContact C-N 3.28Å; I132-L134 PolarHBondContact O-N 3.21Å; L134-V136 VanDerWaalsContact C-N 3.34Å; L134-V136 PolarHBondContact O-N 3.22Å; L134-I137 PolarHBondContact O-N 3.27Å; L134-I138 HydrophobicContact CD1-CD1 3.9Å; L134-I138 HydrophobicContact CD1-CG1 4.37Å; L134-I138 HydrophobicContact CG-CD1 3.9Å; L134-I138 VanDerWaalsContact O-CG1 3.32Å; L134-I138 WeakPolarHBondContact O-CG1 3.33Å; L134-I138 PolarHBondContact O-N 2.9Å; L134-L191 HydrophobicContact CD1-CB 4.17Å; L134-L191 HydrophobicContact CD1-CD2 3.57Å; L134-L191 HydrophobicContact CD1-CG 3.51Å; L134-T192 HydrophobicContact CD2-CG2 3.98Å; L134-M195 HydrophobicContact CB-CG 4.45Å; L134-M195 HydrophobicContact CD1-CG 4.38Å; L134-F604 HydrophobicContact CD2-CE2 4.12Å; L134-F604 HydrophobicContact CD2-CZ 3.68Å
135	L	96.1	Very high	94.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.5	-31.2	179.1	-78.3	175.1	0	0	0	113.6	L131 I132 I138 T139 F604 I607 V618 L622 M625	L131-L135 WeakPolarHBondContact O-CB 3.42Å; L131-L135 PolarHBondContact O-N 2.93Å; I132-L135 PolarHBondContact O-N 3.49Å; I132-L135 VanDerWaalsContact O-N 3.15Å; L135-I138 PolarHBondContact O-N 2.82Å; L135-T139 VanDerWaalsContact O-CB 3.26Å; L135-T139 WeakPolarHBondContact O-CB 3.21Å; L135-T139 PolarHBondContact O-N 3.2Å; L135-T139 PolarHBondContact O-OG1 2.63Å; L135-F604 HydrophobicContact CD1-CD2 4.3Å; L135-F604 HydrophobicContact CD2-CD2 4.47Å; L135-F604 HydrophobicContact CD2-CE2 4.2Å; L135-F604 HydrophobicContact CG-CD2 4.38Å; L135-F604 HydrophobicContact CG-CE2 4.14Å; L135-I607 HydrophobicContact CD2-CG2 3.74Å; L135-V618 HydrophobicContact CD2-CG1 4.16Å; L135-L622 HydrophobicContact CB-CD1 4.21Å; L135-M625 HydrophobicContact CD1-CB 4.15Å; L135-M625 HydrophobicContact CD1-CG 3.4Å
136	V	97.4	Very high	94.6	Very high	64 Å²	64	34 Å²	34	39%	0.388	19%	0.187	S	C	.	.	H	α-helix	trans	-60.4	-48.8	172.9	169	0	0	0	0	109.8	I132 I133 L134 I138 T139 V140 L622	I132-V136 HydrophobicContact CG2-CG2 4.39Å; I132-V136 WeakPolarHBondContact O-CG2 3.35Å; I132-V136 PolarHBondContact O-N 3.32Å; I133-V136 PolarHBondContact O-N 3.03Å; L134-V136 VanDerWaalsContact C-N 3.34Å; L134-V136 PolarHBondContact O-N 3.22Å; V136-I138 PolarHBondContact O-N 2.96Å; V136-T139 PolarHBondContact O-N 3.26Å; V136-V140 WeakPolarHBondContact O-CG2 3.4Å; V136-V140 PolarHBondContact O-N 3.45Å; V136-L622 HydrophobicContact CG2-CD1 3.67Å; V136-L622 HydrophobicContact CG2-CD2 3.96Å; V136-L622 HydrophobicContact CG2-CG 4.49Å
137	I	96.4	Very high	94.6	Very high	63 Å²	63	35 Å²	35	32%	0.323	19%	0.191	S	C	.	.	H	α-helix	trans	-61.6	-46.9	179.1	-61.3	166.3	0	0	0	110.2	I133 L134 T139 V140 T141 L191 M195	I133-I137 HydrophobicContact CG2-CD1 4.36Å; I133-I137 WeakPolarHBondContact O-CG1 3.49Å; I133-I137 PolarHBondContact O-N 3.2Å; L134-I137 PolarHBondContact O-N 3.27Å; I137-T139 VanDerWaalsContact C-N 3.32Å; I137-T139 PolarHBondContact O-N 3.38Å; I137-V140 PolarHBondContact O-N 2.83Å; I137-T141 PolarHBondContact O-N 3.42Å; I137-T141 PolarHBondContact O-OG1 3.49Å; I137-T141 VanDerWaalsContact O-OG1 3.07Å; I137-L191 HydrophobicContact CB-CD2 3.85Å; I137-L191 HydrophobicContact CD1-CD1 4.04Å; I137-L191 HydrophobicContact CD1-CD2 4.23Å; I137-L191 HydrophobicContact CG2-CD2 3.46Å; I137-L191 VanDerWaalsContact CG2-CD2 3.46Å; I137-M195 HydrophobicContact CD1-CE 3.85Å
138	I	95.6	Very high	94.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-39.8	177.8	-66.3	174.7	0	0	0	111.3	L134 L135 V136 T141 S142 Y188 L191 M608 V618	L134-I138 HydrophobicContact CD1-CD1 3.9Å; L134-I138 HydrophobicContact CD1-CG1 4.37Å; L134-I138 HydrophobicContact CG-CD1 3.9Å; L134-I138 VanDerWaalsContact O-CG1 3.32Å; L134-I138 WeakPolarHBondContact O-CG1 3.33Å; L134-I138 PolarHBondContact O-N 2.9Å; L135-I138 PolarHBondContact O-N 2.82Å; V136-I138 PolarHBondContact O-N 2.96Å; I138-T141 WeakPolarHBondContact CA-OG1 3.47Å; I138-T141 PolarHBondContact O-N 3.1Å; I138-T141 PolarHBondContact O-OG1 2.98Å; I138-T141 VanDerWaalsContact O-OG1 3.05Å; I138-S142 WeakPolarHBondContact O-CB 3.48Å; I138-S142 PolarHBondContact O-N 3.27Å; I138-S142 PolarHBondContact O-OG 2.76Å; I138-Y188 HydrophobicContact CB-CE1 4.43Å; I138-Y188 HydrophobicContact CD1-CG 4.42Å; I138-Y188 HydrophobicContact CG1-CD1 4.04Å; I138-Y188 HydrophobicContact CG1-CE1 4.06Å; I138-Y188 HydrophobicContact CG1-CG 4.28Å; I138-Y188 HydrophobicContact CG2-CD2 4.2Å; I138-Y188 HydrophobicContact CG2-CE1 4.27Å; I138-Y188 HydrophobicContact CG2-CE2 3.65Å; I138-Y188 PolarHBondContact O-OH 3.25Å; I138-L191 HydrophobicContact CG1-CD2 4.34Å; I138-M608 HydrophobicContact CD1-CE 3.75Å; I138-M608 HydrophobicContact CD1-SD 3.44Å; I138-M608 WeakPolarHBondContact CD1-SD 3.48Å; I138-V618 HydrophobicContact CB-CG1 4.29Å; I138-V618 HydrophobicContact CG2-CG1 3.7Å; I138-V618 HydrophobicContact CG2-CG2 4.24Å
139	T	96.1	Very high	94.4	Very high	14 Å²	14	39.3 Å²	39.3	9%	0.086	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-47.2	178.7	-58.5	0	0	0	0	110.3	L135 V136 I137 T141 S142 L143 V618 P619	L135-T139 VanDerWaalsContact O-CB 3.26Å; L135-T139 WeakPolarHBondContact O-CB 3.21Å; L135-T139 PolarHBondContact O-N 3.2Å; L135-T139 PolarHBondContact O-OG1 2.63Å; V136-T139 PolarHBondContact O-N 3.26Å; I137-T139 VanDerWaalsContact C-N 3.32Å; I137-T139 PolarHBondContact O-N 3.38Å; T139-T141 PolarHBondContact O-N 3.48Å; T139-S142 PolarHBondContact O-N 3.46Å; T139-L143 HydrophobicContact CG2-CD1 3.76Å; T139-L143 HydrophobicContact CG2-CG 4.28Å; T139-L143 WeakPolarHBondContact O-CB 3.4Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 3.33Å; T139-V618 VanDerWaalsContact OG1-CG1 3.27Å; T139-V618 WeakPolarHBondContact OG1-CG1 3.41Å; T139-P619 HydrophobicContact CG2-CB 4.03Å
140	V	96.1	Very high	94.1	Very high	92 Å²	92	33.8 Å²	33.8	56%	0.558	20%	0.198	S	C	*	.	H	α-helix	trans	-60.8	-47.7	178.7	173	0	0	0	0	110.4	V136 I137 A144	V136-V140 WeakPolarHBondContact O-CG2 3.4Å; V136-V140 PolarHBondContact O-N 3.45Å; I137-V140 PolarHBondContact O-N 2.83Å; V140-A144 WeakPolarHBondContact O-CB 3.26Å; V140-A144 PolarHBondContact O-N 3.46Å
141	T	94.4	Very high	93.9	Very high	31 Å²	31	36.3 Å²	36.3	19%	0.19	21%	0.211	C	C	.	.	H	α-helix	trans	-68.9	-40.6	-179.8	50.3	0	0	0	0	113.1	I137 I138 T139 I145 F184 Y188	I137-T141 PolarHBondContact O-N 3.42Å; I137-T141 PolarHBondContact O-OG1 3.49Å; I137-T141 VanDerWaalsContact O-OG1 3.07Å; I138-T141 WeakPolarHBondContact CA-OG1 3.47Å; I138-T141 PolarHBondContact O-N 3.1Å; I138-T141 PolarHBondContact O-OG1 2.98Å; I138-T141 VanDerWaalsContact O-OG1 3.05Å; T139-T141 PolarHBondContact O-N 3.48Å; T141-I145 WeakPolarHBondContact O-CB 3.37Å; T141-I145 PolarHBondContact O-N 2.91Å; T141-I145 VanDerWaalsContact O-N 3.09Å; T141-F184 HydrophobicContact CG2-CE1 4.24Å; T141-Y188 VanDerWaalsContact OG1-CE1 3.29Å; T141-Y188 WeakPolarHBondContact OG1-CE1 3.22Å; T141-Y188 PolarHBondContact OG1-OH 3.42Å
142	S	92.7	Very high	93.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-65.9	-40.9	179	-80.9	0	0	0	0	112.1	I138 T139 I146 L147 Y188 S611	I138-S142 WeakPolarHBondContact O-CB 3.48Å; I138-S142 PolarHBondContact O-N 3.27Å; I138-S142 PolarHBondContact O-OG 2.76Å; T139-S142 PolarHBondContact O-N 3.46Å; S142-I146 WeakPolarHBondContact O-CB 2.93Å; S142-I146 PolarHBondContact O-N 3.45Å; S142-L147 WeakPolarHBondContact O-CB 3.03Å; S142-L147 PolarHBondContact O-N 3.01Å; S142-Y188 PolarHBondContact N-OH 3.25Å; S142-Y188 PolarHBondContact OG-OH 3.27Å; S142-S611 PolarHBondContact OG-O 3.29Å
143	L	93.5	Very high	92.8	Very high	65 Å²	65	39 Å²	39	34%	0.34	23%	0.232	S	C	.	.	I	π-helix	trans	-81.3	-35.1	-179.5	-64.2	-178.3	0	0	0	113.3	T139 L147 P148 P619	T139-L143 HydrophobicContact CG2-CD1 3.76Å; T139-L143 HydrophobicContact CG2-CG 4.28Å; T139-L143 WeakPolarHBondContact O-CB 3.4Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 3.33Å; L143-L147 HydrophobicContact CD2-CD2 3.88Å; L143-P148 VanDerWaalsContact O-CD 3.27Å; L143-P148 WeakPolarHBondContact O-CD 3.49Å; L143-P619 HydrophobicContact CD1-CB 4.34Å; L143-P619 HydrophobicContact CD1-CG 4.24Å; L143-P619 HydrophobicContact CD2-CG 4.34Å
144	A	94	Very high	91.9	Very high	68 Å²	68	41.6 Å²	41.6	56%	0.562	25%	0.247	S	C	*	.	I	π-helix	trans	-81.1	-26.7	-177.7	0	0	0	0	0	113.4	V140	V140-A144 WeakPolarHBondContact O-CB 3.26Å; V140-A144 PolarHBondContact O-N 3.46Å
145	I	93.6	Very high	90.8	Very high	69 Å²	69	46 Å²	46	35%	0.354	27%	0.27	S	S	.	.	I	π-helix	trans	-121.9	-57.3	-171.2	-56.1	172.5	0	0	0	111.5	T141 V149 L180 F184	T141-I145 WeakPolarHBondContact O-CB 3.37Å; T141-I145 PolarHBondContact O-N 2.91Å; T141-I145 VanDerWaalsContact O-N 3.09Å; I145-V149 VanDerWaalsContact O-CG2 3.24Å; I145-V149 WeakPolarHBondContact O-CG2 3.4Å; I145-V149 PolarHBondContact O-N 2.88Å; I145-L180 HydrophobicContact CG2-CD2 4Å; I145-F184 HydrophobicContact CB-CE2 4.49Å; I145-F184 HydrophobicContact CB-CZ 4.12Å; I145-F184 HydrophobicContact CD1-CE1 4.25Å; I145-F184 HydrophobicContact CD1-CZ 3.6Å; I145-F184 HydrophobicContact CG1-CZ 4.45Å; I145-F184 HydrophobicContact CG2-CE2 3.74Å; I145-F184 HydrophobicContact CG2-CZ 3.79Å
146	I	92.2	Very high	89.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.284	C	S	.	.	I	π-helix	trans	-69.5	-45	-172.3	-53.6	-180	0	0	0	111.3	S142 V149 N150 F184 Y188 I612 P615	S142-I146 WeakPolarHBondContact O-CB 2.93Å; S142-I146 PolarHBondContact O-N 3.45Å; I146-V149 PolarHBondContact O-N 3.35Å; I146-N150 PolarHBondContact O-N 3.14Å; I146-F184 HydrophobicContact CD1-CB 4.02Å; I146-F184 HydrophobicContact CD1-CD1 4.27Å; I146-F184 HydrophobicContact CD1-CG 4.04Å; I146-F184 HydrophobicContact CG1-CD2 4.42Å; I146-F184 HydrophobicContact CG1-CG 4.29Å; I146-Y188 HydrophobicContact CD1-CE2 4.4Å; I146-I612 HydrophobicContact CD1-CG1 4.49Å; I146-P615 HydrophobicContact CB-CG 4.03Å; I146-P615 HydrophobicContact CG2-CG 3.56Å
147	L	91.6	Very high	88	Confident	35 Å²	35	55.7 Å²	55.7	18%	0.183	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-48.7	-177.7	176.9	67.2	0	0	0	113.1	S142 L143 V149 N150 M151 T166 P615 I616	S142-L147 WeakPolarHBondContact O-CB 3.03Å; S142-L147 PolarHBondContact O-N 3.01Å; L143-L147 HydrophobicContact CD2-CD2 3.88Å; L147-V149 VanDerWaalsContact C-N 3.27Å; L147-V149 PolarHBondContact O-N 3.06Å; L147-N150 PolarHBondContact O-N 3.43Å; L147-M151 HydrophobicContact CD1-CG 4.29Å; L147-M151 WeakPolarHBondContact O-CG 3.28Å; L147-M151 PolarHBondContact O-N 3.1Å; L147-T166 HydrophobicContact CD1-CG2 4.31Å; L147-P615 HydrophobicContact CB-CB 4.11Å; L147-P615 HydrophobicContact CB-CG 4.43Å; L147-I616 HydrophobicContact CD1-CD1 4.49Å; L147-I616 HydrophobicContact CD1-CG1 4.25Å
148	P	92.3	Very high	86.4	Confident	68 Å²	68	58.6 Å²	58.6	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-38.2	174.5	-27.1	35.5	0	0	0	112.9	L143 M151 S152	L143-P148 VanDerWaalsContact O-CD 3.27Å; L143-P148 WeakPolarHBondContact O-CD 3.49Å; P148-M151 PolarHBondContact O-N 3.35Å; P148-S152 PolarHBondContact O-N 3.13Å
149	V	90.6	Very high	85.2	Confident	24 Å²	24	62.4 Å²	62.4	15%	0.145	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-43.6	176.9	171.3	0	0	0	0	110.7	I145 I146 L147 M151 S152 L171 F177 L180	I145-V149 VanDerWaalsContact O-CG2 3.24Å; I145-V149 WeakPolarHBondContact O-CG2 3.4Å; I145-V149 PolarHBondContact O-N 2.88Å; I146-V149 PolarHBondContact O-N 3.35Å; L147-V149 VanDerWaalsContact C-N 3.27Å; L147-V149 PolarHBondContact O-N 3.06Å; V149-M151 VanDerWaalsContact C-N 3.33Å; V149-M151 PolarHBondContact O-N 3.27Å; V149-S152 WeakPolarHBondContact O-CB 3.22Å; V149-S152 PolarHBondContact O-N 3.4Å; V149-S152 PolarHBondContact O-OG 3.03Å; V149-L171 HydrophobicContact CG1-CD1 4.23Å; V149-L171 HydrophobicContact CG1-CD2 4.45Å; V149-L171 WeakPolarHBondContact O-CD2 3.45Å; V149-F177 HydrophobicContact CG1-CB 3.79Å; V149-F177 HydrophobicContact CG1-CD1 4.07Å; V149-F177 HydrophobicContact CG1-CG 4.01Å; V149-L180 HydrophobicContact CB-CD2 4.07Å; V149-L180 HydrophobicContact CG1-CD2 3.98Å; V149-L180 HydrophobicContact CG2-CD2 3.63Å
150	N	88.8	Confident	84	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-60.2	-43.4	174.2	-71.7	-12.4	0	0	0	112	I146 L147 S152 G153 R165 T166 I168 N170 H181	I146-N150 PolarHBondContact O-N 3.14Å; L147-N150 PolarHBondContact O-N 3.43Å; N150-S152 VanDerWaalsContact C-N 3.25Å; N150-S152 PolarHBondContact O-N 2.85Å; N150-G153 PolarHBondContact O-N 2.99Å; N150-R165 CarbonylContact C-O 3.57Å; N150-T166 PolarHBondContact ND2-O 3.13Å; N150-T166 VanDerWaalsContact ND2-O 3.13Å; N150-I168 PolarHBondContact ND2-N 3.07Å; N150-N170 WeakPolarHBondContact O-CB 3.21Å; N150-N170 PolarHBondContact O-ND2 3.21Å; N150-H181 PolarHBondContact OD1-CE1 3.48Å; N150-H181 PolarHBondContact OD1-NE2 3.4Å
151	M	87.2	Confident	82.9	Confident	80 Å²	80	67.7 Å²	67.7	39%	0.394	36%	0.364	S	S	.	.	H	α-helix	trans	-66.5	-24.9	179.1	-69	-71.5	-74.9	0	0	113.4	L147 P148 V149 G153 R165 T166	L147-M151 HydrophobicContact CD1-CG 4.29Å; L147-M151 WeakPolarHBondContact O-CG 3.28Å; L147-M151 PolarHBondContact O-N 3.1Å; P148-M151 PolarHBondContact O-N 3.35Å; V149-M151 VanDerWaalsContact C-N 3.33Å; V149-M151 PolarHBondContact O-N 3.27Å; M151-G153 PolarHBondContact O-N 2.92Å; M151-R165 HydrophobicContact SD-CB 3.76Å; M151-T166 HydrophobicContact SD-CG2 3.8Å
152	S	86.8	Confident	82.1	Confident	70 Å²	70	68 Å²	68	49%	0.49	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.3	175.6	78.2	0	0	0	0	114.3	P148 V149 N150	P148-S152 PolarHBondContact O-N 3.13Å; V149-S152 WeakPolarHBondContact O-CB 3.22Å; V149-S152 PolarHBondContact O-N 3.4Å; V149-S152 PolarHBondContact O-OG 3.03Å; N150-S152 VanDerWaalsContact C-N 3.25Å; N150-S152 PolarHBondContact O-N 2.85Å
153	G	81.5	Confident	81.5	Confident	5 Å²	5	68.2 Å²	68.2	5%	0.052	37%	0.369	C	S	.	.			trans	-65.8	155.2	175.9	0	0	0	0	0	113.3	N150 M151 N170	N150-G153 PolarHBondContact O-N 2.99Å; M151-G153 PolarHBondContact O-N 2.92Å; G153-N170 VanDerWaalsContact C-ND2 3.31Å; G153-N170 CarbonylContact C-O 3.46Å; G153-N170 WeakPolarHBondContact CA-ND2 3.19Å; G153-N170 VanDerWaalsContact CA-O 3.23Å; G153-N170 WeakPolarHBondContact CA-O 3.25Å; G153-N170 PolarHBondContact O-ND2 3.32Å
154	N	77.6	Confident	80.8	Confident	124 Å²	124	65.2 Å²	65.2	66%	0.663	35%	0.354	S	S	*	.			trans	-120.6	11.3	-172.1	65	-18.9	0	0	0	114.2	N170	N154-N170 PolarHBondContact N-O 3.36Å
155	L	73.1	Confident	80.2	Confident	94 Å²	94	63.6 Å²	63.6	49%	0.492	33%	0.333	S	S	.	.	S	Bend	trans	-82.2	-33.1	-177.4	-84.7	144.6	0	0	0	114	N170 L171 S172	L155-N170 WeakPolarHBondContact CD1-O 3.45Å; L155-N170 PolarHBondContact N-O 3.25Å; L155-N170 PolarHBondContact N-OD1 3.15Å; L155-L171 WeakPolarHBondContact CD1-O 3.4Å; L155-S172 VanDerWaalsContact CD1-CA 3.49Å
156	F	70.6	Confident	79.8	Confident	67 Å²	67	60.7 Å²	60.7	29%	0.294	32%	0.319	S	S	.	.	S	Bend	trans	-92.1	144.2	171.5	-65.1	-66.6	0	0	0	109.6	R165 G169 N170 P536	F156-R165 HydrophobicContact CB-CG 4.17Å; F156-G169 VanDerWaalsContact CE2-C 3.46Å; F156-N170 HydrophobicContact CD2-CB 3.77Å; F156-N170 WeakPolarHBondContact CD2-OD1 3.34Å; F156-N170 HydrophobicContact CE2-CB 4.28Å; F156-N170 PolarHBondContact N-OD1 2.92Å; F156-P536 HydrophobicContact CE1-CG 4.34Å; F156-P536 HydrophobicContact CE2-CG 3.81Å; F156-P536 HydrophobicContact CZ-CG 3.48Å; F156-P536 VanDerWaalsContact CZ-CG 3.48Å
157	R	63.8	Low	79.6	Confident	199 Å²	199	60.9 Å²	60.9	75%	0.751	32%	0.32	S	S	*	.			trans	-56.8	152.4	176.7	-173.8	176.6	-74	179.5	-1.6	110.1	D159	R157-D159 WeakPolarHBondContact CD-OD2 3.48Å; R157-D159 PolarHBondContact O-N 2.91Å
158	D	62.4	Low	79.2	Confident	125 Å²	125	59.2 Å²	59.2	67%	0.668	31%	0.311	S	S	*	.	S	Bend	trans	-67.6	35.1	-177.5	-89.2	-39.7	0	0	0	115.1	P160 R165	D158-P160 WeakPolarHBondContact O-CD 3.22Å; D158-R165 PolarHBondContact O-NH1 3.31Å; D158-R165 IonicContact OD1-CZ 3.92Å; D158-R165 VanDerWaalsContact OD1-CZ 3.26Å; D158-R165 IonicContact OD1-NH1 3.24Å; D158-R165 PolarHBondContact OD1-NH1 3.2Å; D158-R165 IonicContact OD1-NH2 3.48Å; D158-R165 PolarHBondContact OD1-NH2 3.43Å
159	D	70.5	Confident	78.6	Confident	79 Å²	79	56.5 Å²	56.5	42%	0.422	30%	0.295	S	S	.	.			trans	-87.3	119.4	180	-61.1	-34.4	0	0	0	110	R157 H161 S162 R165	R157-D159 WeakPolarHBondContact CD-OD2 3.48Å; R157-D159 PolarHBondContact O-N 2.91Å; D159-H161 PolarHBondContact O-N 2.82Å; D159-H161 VanDerWaalsContact O-N 3.12Å; D159-S162 PolarHBondContact O-N 2.96Å; D159-R165 VanDerWaalsContact O-CD 3.25Å; D159-R165 WeakPolarHBondContact O-CD 3.22Å
160	P	70.6	Confident	78.2	Confident	105 Å²	105	55.3 Å²	55.3	68%	0.682	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.2	178.5	-23.8	34	0	0	0	113.9	D158 S162	D158-P160 WeakPolarHBondContact O-CD 3.22Å; P160-S162 VanDerWaalsContact C-N 3.34Å
161	H	72.2	Confident	77.9	Confident	113 Å²	113	55.5 Å²	55.5	52%	0.523	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.6	-177.5	-60.1	-83.7	0	0	0	113.4	D30 F31 D159 F163	D30-H161 HydrophobicContact CB-CB 4.41Å; D30-H161 IonicContact OD2-ND1 3.41Å; F31-H161 VanDerWaalsContact CA-O 3.23Å; F31-H161 WeakPolarHBondContact CA-O 3.43Å; F31-H161 PolarHBondContact N-O 3.42Å; D159-H161 PolarHBondContact O-N 2.82Å; D159-H161 VanDerWaalsContact O-N 3.12Å; H161-F163 PolarHBondContact O-N 3.26Å
162	S	77.6	Confident	77.3	Confident	38 Å²	38	53 Å²	53	27%	0.266	28%	0.279	S	S	.	.			trans	-84.8	113.7	-179.6	-179	0	0	0	0	111.8	D159 P160 G164 R165	D159-S162 PolarHBondContact O-N 2.96Å; P160-S162 VanDerWaalsContact C-N 3.34Å; S162-G164 PolarHBondContact O-N 3.37Å; S162-G164 PolarHBondContact OG-N 3.49Å; S162-R165 PolarHBondContact O-N 2.98Å
163	F	81.5	Confident	76.5	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.018	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-59	-30.9	174.9	-174.8	-93.5	0	0	0	112	F31 V34 H161 R165 T166 T167 P536 A540 V543 C614	F31-F163 AromaticContact CD1-CD2 3.83Å; F31-F163 HydrophobicContact CD1-CD2 3.83Å; F31-F163 HydrophobicContact CD2-CB 4.33Å; F31-F163 HydrophobicContact CD2-CD2 4.42Å; F31-F163 AromaticContact CE1-CD2 3.58Å; F31-F163 HydrophobicContact CE1-CD2 3.58Å; F31-F163 AromaticContact CE1-CE2 3.98Å; F31-F163 HydrophobicContact CE1-CE2 3.98Å; F31-F163 HydrophobicContact CE2-CD2 4.2Å; F31-F163 HydrophobicContact CG-CD2 4.25Å; F31-F163 AromaticContact CZ-CD2 3.78Å; F31-F163 HydrophobicContact CZ-CD2 3.78Å; F31-F163 HydrophobicContact CZ-CE2 4.29Å; V34-F163 HydrophobicContact CG2-CD2 4.42Å; V34-F163 HydrophobicContact CG2-CE2 4.13Å; H161-F163 PolarHBondContact O-N 3.26Å; F163-R165 PolarHBondContact O-N 3.45Å; F163-R165 VanDerWaalsContact O-N 3.1Å; F163-T166 PolarHBondContact O-N 3Å; F163-T166 PolarHBondContact O-OG1 3.42Å; F163-T167 HydrophobicContact CD1-CG2 4.11Å; F163-T167 HydrophobicContact CE1-CG2 3.82Å; F163-P536 HydrophobicContact CD1-CB 4.3Å; F163-P536 WeakPolarHBondContact CD1-O 3.47Å; F163-P536 VanDerWaalsContact CE1-O 3.31Å; F163-P536 WeakPolarHBondContact CE1-O 3.46Å; F163-A540 HydrophobicContact CD1-CB 3.83Å; F163-A540 HydrophobicContact CD2-CB 4.07Å; F163-A540 HydrophobicContact CE1-CB 3.84Å; F163-A540 HydrophobicContact CE2-CB 4.08Å; F163-A540 HydrophobicContact CG-CB 3.94Å; F163-A540 HydrophobicContact CZ-CB 3.96Å; F163-V543 HydrophobicContact CZ-CG2 4.1Å; F163-C614 WeakPolarHBondContact CZ-SG 3.47Å
164	G	77.4	Confident	75.8	Confident	2 Å²	2	62.9 Å²	62.9	2%	0.021	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-54.4	-31.4	-178.5	0	0	0	0	0	115.7	S162 T166 T167	S162-G164 PolarHBondContact O-N 3.37Å; S162-G164 PolarHBondContact OG-N 3.49Å; G164-T166 PolarHBondContact O-N 2.98Å; G164-T167 PolarHBondContact O-N 3.18Å; G164-T167 VanDerWaalsContact O-N 3.16Å; G164-T167 PolarHBondContact O-OG1 3.43Å
165	R	82	Confident	75.4	Confident	33 Å²	33	59.8 Å²	59.8	13%	0.125	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-60.3	-28.9	178.9	-62.4	-170.3	65.9	154.8	13.1	113.8	N150 M151 F156 D158 D159 S162 F163 T167	N150-R165 CarbonylContact C-O 3.57Å; M151-R165 HydrophobicContact SD-CB 3.76Å; F156-R165 HydrophobicContact CB-CG 4.17Å; D158-R165 PolarHBondContact O-NH1 3.31Å; D158-R165 IonicContact OD1-CZ 3.92Å; D158-R165 VanDerWaalsContact OD1-CZ 3.26Å; D158-R165 IonicContact OD1-NH1 3.24Å; D158-R165 PolarHBondContact OD1-NH1 3.2Å; D158-R165 IonicContact OD1-NH2 3.48Å; D158-R165 PolarHBondContact OD1-NH2 3.43Å; D159-R165 VanDerWaalsContact O-CD 3.25Å; D159-R165 WeakPolarHBondContact O-CD 3.22Å; S162-R165 PolarHBondContact O-N 2.98Å; F163-R165 PolarHBondContact O-N 3.45Å; F163-R165 VanDerWaalsContact O-N 3.1Å; R165-T167 VanDerWaalsContact C-N 3.31Å
166	T	86.4	Confident	75.6	Confident	9 Å²	9	61.8 Å²	61.8	6%	0.055	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-85.5	-9.2	-175.5	69	0	0	0	0	113.1	F31 L147 N150 M151 F163 G164 I616	F31-T166 HydrophobicContact CE2-CG2 3.92Å; F31-T166 HydrophobicContact CZ-CG2 3.89Å; L147-T166 HydrophobicContact CD1-CG2 4.31Å; N150-T166 PolarHBondContact ND2-O 3.13Å; N150-T166 VanDerWaalsContact ND2-O 3.13Å; M151-T166 HydrophobicContact SD-CG2 3.8Å; F163-T166 PolarHBondContact O-N 3Å; F163-T166 PolarHBondContact O-OG1 3.42Å; G164-T166 PolarHBondContact O-N 2.98Å; T166-I616 HydrophobicContact CG2-CD1 3.58Å
167	T	86.4	Confident	76.2	Confident	4 Å²	4	63.4 Å²	63.4	3%	0.025	32%	0.32	C	S	.	.	S	Bend	trans	-100.2	159.4	-176.1	71.8	0	0	0	0	111.6	F163 G164 R165 G169 N170 P536 I613 C614	F163-T167 HydrophobicContact CD1-CG2 4.11Å; F163-T167 HydrophobicContact CE1-CG2 3.82Å; G164-T167 PolarHBondContact O-N 3.18Å; G164-T167 VanDerWaalsContact O-N 3.16Å; G164-T167 PolarHBondContact O-OG1 3.43Å; R165-T167 VanDerWaalsContact C-N 3.31Å; T167-G169 PolarHBondContact O-N 2.92Å; T167-G169 PolarHBondContact OG1-N 3.25Å; T167-N170 PolarHBondContact O-N 3.13Å; T167-P536 HydrophobicContact CG2-CB 4.02Å; T167-I613 VanDerWaalsContact CA-O 3.28Å; T167-I613 WeakPolarHBondContact CA-O 3.28Å; T167-I613 WeakPolarHBondContact CB-O 3.49Å; T167-C614 HydrophobicContact CG2-CB 4.43Å
168	I	83.9	Confident	77	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-54.1	-22.3	170.5	-167.5	172.8	0	0	0	112.1	N150 N170 L171 L178 H181 I613 L668 F671 R675	N150-I168 PolarHBondContact ND2-N 3.07Å; I168-N170 PolarHBondContact O-N 3.12Å; I168-N170 VanDerWaalsContact O-N 3.13Å; I168-L171 HydrophobicContact CG1-CD1 4.47Å; I168-L171 PolarHBondContact O-N 2.77Å; I168-L178 HydrophobicContact CD1-CD1 3.8Å; I168-L178 HydrophobicContact CG1-CD1 4.1Å; I168-H181 HydrophobicContact CD1-CB 4.04Å; I168-H181 VanDerWaalsContact CD1-CD2 3.46Å; I168-H181 WeakPolarHBondContact CD1-CD2 3.41Å; I168-I613 HydrophobicContact CG2-CB 4.09Å; I168-I613 HydrophobicContact CG2-CG1 4.33Å; I168-I613 HydrophobicContact CG2-CG2 3.7Å; I168-I613 PolarHBondContact N-O 3.47Å; I168-L668 HydrophobicContact CD1-CD1 4.18Å; I168-F671 HydrophobicContact CB-CE1 4.32Å; I168-F671 HydrophobicContact CB-CZ 4.35Å; I168-F671 HydrophobicContact CD1-CD1 3.98Å; I168-F671 HydrophobicContact CD1-CE1 3.66Å; I168-F671 HydrophobicContact CD1-CZ 4.49Å; I168-F671 HydrophobicContact CG1-CE1 3.77Å; I168-F671 HydrophobicContact CG1-CZ 4.21Å; I168-F671 HydrophobicContact CG2-CD1 4.27Å; I168-F671 HydrophobicContact CG2-CD2 4.45Å; I168-F671 HydrophobicContact CG2-CE1 3.68Å; I168-F671 HydrophobicContact CG2-CE2 3.88Å; I168-F671 HydrophobicContact CG2-CZ 3.46Å; I168-F671 VanDerWaalsContact CG2-CZ 3.46Å; I168-R675 PolarHBondContact O-NH1 2.95Å
169	G	79.2	Confident	78.1	Confident	11 Å²	11	53.6 Å²	53.6	11%	0.113	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-52.9	-26.7	172.6	0	0	0	0	0	114.3	F156 T167 L171 R675	F156-G169 VanDerWaalsContact CE2-C 3.46Å; T167-G169 PolarHBondContact O-N 2.92Å; T167-G169 PolarHBondContact OG1-N 3.25Å; G169-L171 PolarHBondContact O-N 3.46Å; G169-R675 VanDerWaalsContact CA-NH1 3.33Å; G169-R675 PolarHBondContact O-NH1 3.09Å; G169-R675 PolarHBondContact O-NH2 2.92Å
170	N	82.8	Confident	79	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-78.5	-14.6	-177.6	-165.6	33.5	0	0	0	114.5	N150 G153 N154 L155 F156 T167 I168	N150-N170 WeakPolarHBondContact O-CB 3.21Å; N150-N170 PolarHBondContact O-ND2 3.21Å; G153-N170 VanDerWaalsContact C-ND2 3.31Å; G153-N170 CarbonylContact C-O 3.46Å; G153-N170 WeakPolarHBondContact CA-ND2 3.19Å; G153-N170 VanDerWaalsContact CA-O 3.23Å; G153-N170 WeakPolarHBondContact CA-O 3.25Å; G153-N170 PolarHBondContact O-ND2 3.32Å; N154-N170 PolarHBondContact N-O 3.36Å; L155-N170 WeakPolarHBondContact CD1-O 3.45Å; L155-N170 PolarHBondContact N-O 3.25Å; L155-N170 PolarHBondContact N-OD1 3.15Å; F156-N170 HydrophobicContact CD2-CB 3.77Å; F156-N170 WeakPolarHBondContact CD2-OD1 3.34Å; F156-N170 HydrophobicContact CE2-CB 4.28Å; F156-N170 PolarHBondContact N-OD1 2.92Å; T167-N170 PolarHBondContact O-N 3.13Å; I168-N170 PolarHBondContact O-N 3.12Å; I168-N170 VanDerWaalsContact O-N 3.13Å
171	L	82.1	Confident	79.9	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.016	24%	0.235	C	C	.	.	S	Bend	trans	-86	134.4	-175.7	-71	171.8	0	0	0	113.6	V149 L155 I168 G169 F177 H181 R675	V149-L171 HydrophobicContact CG1-CD1 4.23Å; V149-L171 HydrophobicContact CG1-CD2 4.45Å; V149-L171 WeakPolarHBondContact O-CD2 3.45Å; L155-L171 WeakPolarHBondContact CD1-O 3.4Å; I168-L171 HydrophobicContact CG1-CD1 4.47Å; I168-L171 PolarHBondContact O-N 2.77Å; G169-L171 PolarHBondContact O-N 3.46Å; L171-F177 HydrophobicContact CD1-CB 4.39Å; L171-F177 HydrophobicContact CD2-CB 4.3Å; L171-H181 WeakPolarHBondContact CD1-CE1 3.12Å; L171-R675 PolarHBondContact O-NH1 2.87Å; L171-R675 PolarHBondContact O-NH2 3.22Å
172	S	75.6	Confident	80.6	Confident	27 Å²	27	42 Å²	42	19%	0.189	21%	0.211	C	C	.	.			trans	-71.7	151.1	178.7	72.6	0	0	0	0	112.3	L155 Q174 N175	L155-S172 VanDerWaalsContact CD1-CA 3.49Å; S172-Q174 PolarHBondContact O-N 3.04Å; S172-N175 PolarHBondContact O-N 3.16Å; S172-N175 PolarHBondContact OG-ND2 3.22Å; S172-N175 VanDerWaalsContact OG-ND2 3.1Å
173	I	69.6	Low	81.2	Confident	99 Å²	99	43.4 Å²	43.4	51%	0.508	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27	-176.2	-61.3	165.1	0	0	0	111.7	R675 A676	I173-R675 HydrophobicContact CD1-CG 4.27Å; I173-R675 VanDerWaalsContact CD1-O 3.32Å; I173-R675 WeakPolarHBondContact CD1-O 3.47Å; I173-R675 HydrophobicContact CG1-CG 4.06Å; I173-A676 HydrophobicContact CG2-CB 4.03Å
174	Q	65.6	Low	81.7	Confident	184 Å²	184	44.1 Å²	44.1	86%	0.86	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.8	-178.5	-70.1	172.3	-4.7	0	0	113.5	S172	S172-Q174 PolarHBondContact O-N 3.04Å
175	N	69.2	Low	82.4	Confident	60 Å²	60	44.1 Å²	44.1	32%	0.321	22%	0.222	S	C	.	.			trans	-82.2	131.9	-177.3	-85.1	-16.5	0	0	0	112.3	S172 F177 L178	S172-N175 PolarHBondContact O-N 3.16Å; S172-N175 PolarHBondContact OG-ND2 3.22Å; S172-N175 VanDerWaalsContact OG-ND2 3.1Å; N175-F177 HydrophobicContact CB-CD2 4.07Å; N175-F177 PolarHBondContact O-N 3.18Å; N175-L178 PolarHBondContact O-N 3.5Å
176	N	78.9	Confident	82.8	Confident	136 Å²	136	45.1 Å²	45.1	73%	0.727	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-12.1	174.7	-71.2	-24	0	0	0	113.6	L178 W179	N176-L178 PolarHBondContact O-N 3.13Å; N176-W179 WeakPolarHBondContact O-CB 3.49Å; N176-W179 PolarHBondContact O-N 2.92Å; N176-W179 VanDerWaalsContact O-N 3.15Å
177	F	81.9	Confident	83.1	Confident	100 Å²	100	48.1 Å²	48.1	44%	0.439	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.4	178.2	-65.5	-56.9	0	0	0	114.5	V149 L171 N175 W179 L180 H181	V149-F177 HydrophobicContact CG1-CB 3.79Å; V149-F177 HydrophobicContact CG1-CD1 4.07Å; V149-F177 HydrophobicContact CG1-CG 4.01Å; L171-F177 HydrophobicContact CD1-CB 4.39Å; L171-F177 HydrophobicContact CD2-CB 4.3Å; N175-F177 HydrophobicContact CB-CD2 4.07Å; N175-F177 PolarHBondContact O-N 3.18Å; F177-W179 PolarHBondContact O-N 2.86Å; F177-L180 VanDerWaalsContact O-CB 3.22Å; F177-L180 WeakPolarHBondContact O-CB 3.42Å; F177-L180 PolarHBondContact O-N 3.4Å; F177-L180 VanDerWaalsContact O-N 3.15Å; F177-H181 PolarHBondContact O-ND1 2.98Å
178	L	80.6	Confident	83.4	Confident	20 Å²	20	48.1 Å²	48.1	11%	0.105	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-28.6	174.2	-162.2	70	0	0	0	112.1	I168 N175 N176 L180 H181 T682	I168-L178 HydrophobicContact CD1-CD1 3.8Å; I168-L178 HydrophobicContact CG1-CD1 4.1Å; N175-L178 PolarHBondContact O-N 3.5Å; N176-L178 PolarHBondContact O-N 3.13Å; L178-L180 PolarHBondContact O-N 2.98Å; L178-H181 WeakPolarHBondContact O-CB 3.24Å; L178-H181 PolarHBondContact O-N 3.28Å; L178-T682 HydrophobicContact CB-CG2 4.45Å; L178-T682 HydrophobicContact CD2-CG2 4.26Å; L178-T682 HydrophobicContact CG-CG2 4.5Å
179	W	86.4	Confident	83.8	Confident	99 Å²	99	49.3 Å²	49.3	38%	0.375	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-28.9	173.8	-81.1	97	0	0	0	113.4	N176 F177 H181 T182 V183 A681 T682 F685	N176-W179 WeakPolarHBondContact O-CB 3.49Å; N176-W179 PolarHBondContact O-N 2.92Å; N176-W179 VanDerWaalsContact O-N 3.15Å; F177-W179 PolarHBondContact O-N 2.86Å; W179-H181 VanDerWaalsContact C-N 3.28Å; W179-H181 PolarHBondContact O-N 3.32Å; W179-T182 PolarHBondContact O-N 3.02Å; W179-T182 PolarHBondContact O-OG1 3.22Å; W179-V183 VanDerWaalsContact O-CG2 3.31Å; W179-V183 WeakPolarHBondContact O-CG2 3.49Å; W179-V183 PolarHBondContact O-N 2.99Å; W179-A681 HydrophobicContact CZ2-CB 3.92Å; W179-T682 HydrophobicContact CD2-CG2 3.98Å; W179-T682 HydrophobicContact CG-CG2 4.03Å; W179-T682 HydrophobicContact CZ2-CG2 4.28Å; W179-F685 HydrophobicContact CH2-CB 3.87Å; W179-F685 HydrophobicContact CH2-CD2 4.4Å; W179-F685 HydrophobicContact CH2-CG 4.03Å; W179-F685 HydrophobicContact CZ3-CB 3.96Å; W179-F685 AromaticContact CZ3-CD1 3.81Å; W179-F685 HydrophobicContact CZ3-CD1 3.81Å; W179-F685 HydrophobicContact CZ3-CD2 4.1Å; W179-F685 HydrophobicContact CZ3-CE1 4.32Å; W179-F685 AromaticContact CZ3-CG 3.68Å; W179-F685 HydrophobicContact CZ3-CG 3.68Å
180	L	89.7	Confident	84.3	Confident	49 Å²	49	51.8 Å²	51.8	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-59.9	-44.5	176.8	-166.7	71.4	0	0	0	110.4	I145 V149 F177 L178 T182 V183 F184	I145-L180 HydrophobicContact CG2-CD2 4Å; V149-L180 HydrophobicContact CB-CD2 4.07Å; V149-L180 HydrophobicContact CG1-CD2 3.98Å; V149-L180 HydrophobicContact CG2-CD2 3.63Å; F177-L180 VanDerWaalsContact O-CB 3.22Å; F177-L180 WeakPolarHBondContact O-CB 3.42Å; F177-L180 PolarHBondContact O-N 3.4Å; F177-L180 VanDerWaalsContact O-N 3.15Å; L178-L180 PolarHBondContact O-N 2.98Å; L180-T182 VanDerWaalsContact C-N 3.33Å; L180-T182 PolarHBondContact O-N 3.46Å; L180-V183 PolarHBondContact O-N 2.9Å; L180-F184 HydrophobicContact CD1-CD2 4.05Å; L180-F184 HydrophobicContact CD1-CE2 3.69Å; L180-F184 HydrophobicContact CG-CD2 3.85Å; L180-F184 HydrophobicContact CG-CE2 3.87Å; L180-F184 VanDerWaalsContact O-CD2 3.3Å; L180-F184 WeakPolarHBondContact O-CD2 3.41Å; L180-F184 PolarHBondContact O-N 3.4Å
181	H	88.8	Confident	84.7	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-39.5	-178.2	-63.3	74.6	0	0	0	111.9	N150 I168 L171 F177 L178 W179 A185 I612 L668	N150-H181 PolarHBondContact OD1-CE1 3.48Å; N150-H181 PolarHBondContact OD1-NE2 3.4Å; I168-H181 HydrophobicContact CD1-CB 4.04Å; I168-H181 VanDerWaalsContact CD1-CD2 3.46Å; I168-H181 WeakPolarHBondContact CD1-CD2 3.41Å; L171-H181 WeakPolarHBondContact CD1-CE1 3.12Å; F177-H181 PolarHBondContact O-ND1 2.98Å; L178-H181 WeakPolarHBondContact O-CB 3.24Å; L178-H181 PolarHBondContact O-N 3.28Å; W179-H181 VanDerWaalsContact C-N 3.28Å; W179-H181 PolarHBondContact O-N 3.32Å; H181-A185 PolarHBondContact O-N 3.5Å; H181-I612 HydrophobicContact CB-CG2 3.71Å; H181-L668 HydrophobicContact CB-CD1 4.4Å
182	T	87.7	Confident	85.1	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-70.8	-38.7	178	61.3	0	0	0	0	111.8	W179 L180 A185 V186 L668 T686	W179-T182 PolarHBondContact O-N 3.02Å; W179-T182 PolarHBondContact O-OG1 3.22Å; L180-T182 VanDerWaalsContact C-N 3.33Å; L180-T182 PolarHBondContact O-N 3.46Å; T182-A185 WeakPolarHBondContact O-CB 3.49Å; T182-A185 PolarHBondContact O-N 3.39Å; T182-V186 PolarHBondContact O-N 3.12Å; T182-L668 HydrophobicContact CG2-CD2 4.08Å; T182-T686 HydrophobicContact CG2-CG2 3.26Å
183	V	90.4	Very high	85.8	Confident	68 Å²	68	54 Å²	54	41%	0.412	28%	0.279	S	S	.	.	H	α-helix	trans	-64.2	-46.5	173.9	171.9	0	0	0	0	111.2	W179 L180 A185 V186 I187	W179-V183 VanDerWaalsContact O-CG2 3.31Å; W179-V183 WeakPolarHBondContact O-CG2 3.49Å; W179-V183 PolarHBondContact O-N 2.99Å; L180-V183 PolarHBondContact O-N 2.9Å; V183-A185 VanDerWaalsContact C-N 3.28Å; V183-A185 PolarHBondContact O-N 3.23Å; V183-V186 PolarHBondContact O-N 2.85Å; V183-V186 VanDerWaalsContact O-N 3.13Å; V183-I187 HydrophobicContact CG1-CD1 3.94Å; V183-I187 HydrophobicContact CG1-CG1 4.48Å; V183-I187 WeakPolarHBondContact O-CG1 3.42Å; V183-I187 PolarHBondContact O-N 2.9Å
184	F	92	Very high	86.7	Confident	18 Å²	18	53 Å²	53	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-63.3	-32.6	177.2	-89	-84.1	0	0	0	112.7	T141 I145 I146 L180 V186 I187 Y188	T141-F184 HydrophobicContact CG2-CE1 4.24Å; I145-F184 HydrophobicContact CB-CE2 4.49Å; I145-F184 HydrophobicContact CB-CZ 4.12Å; I145-F184 HydrophobicContact CD1-CE1 4.25Å; I145-F184 HydrophobicContact CD1-CZ 3.6Å; I145-F184 HydrophobicContact CG1-CZ 4.45Å; I145-F184 HydrophobicContact CG2-CE2 3.74Å; I145-F184 HydrophobicContact CG2-CZ 3.79Å; I146-F184 HydrophobicContact CD1-CB 4.02Å; I146-F184 HydrophobicContact CD1-CD1 4.27Å; I146-F184 HydrophobicContact CD1-CG 4.04Å; I146-F184 HydrophobicContact CG1-CD2 4.42Å; I146-F184 HydrophobicContact CG1-CG 4.29Å; L180-F184 HydrophobicContact CD1-CD2 4.05Å; L180-F184 HydrophobicContact CD1-CE2 3.69Å; L180-F184 HydrophobicContact CG-CD2 3.85Å; L180-F184 HydrophobicContact CG-CE2 3.87Å; L180-F184 VanDerWaalsContact O-CD2 3.3Å; L180-F184 WeakPolarHBondContact O-CD2 3.41Å; L180-F184 PolarHBondContact O-N 3.4Å; F184-V186 VanDerWaalsContact C-N 3.34Å; F184-V186 PolarHBondContact O-N 3.03Å; F184-I187 HydrophobicContact CD1-CD1 4.47Å; F184-I187 PolarHBondContact O-N 2.85Å; F184-Y188 AromaticContact CD1-CE1 3.94Å; F184-Y188 HydrophobicContact CD1-CE1 3.94Å; F184-Y188 WeakPolarHBondContact O-CB 3.48Å; F184-Y188 WeakPolarHBondContact O-CD1 3.49Å; F184-Y188 VanDerWaalsContact O-CG 3.27Å; F184-Y188 PolarHBondContact O-N 3.5Å
185	A	90.4	Very high	87.8	Confident	3 Å²	3	45.7 Å²	45.7	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-41.8	172.9	0	0	0	0	0	112.6	H181 T182 V183 Y188 L189 I612 L665 L668	H181-A185 PolarHBondContact O-N 3.5Å; T182-A185 WeakPolarHBondContact O-CB 3.49Å; T182-A185 PolarHBondContact O-N 3.39Å; V183-A185 VanDerWaalsContact C-N 3.28Å; V183-A185 PolarHBondContact O-N 3.23Å; A185-Y188 PolarHBondContact O-N 3.06Å; A185-L189 WeakPolarHBondContact O-CB 3.42Å; A185-L189 PolarHBondContact O-N 2.87Å; A185-I612 HydrophobicContact CB-CD1 3.41Å; A185-I612 VanDerWaalsContact CB-CD1 3.41Å; A185-L665 HydrophobicContact CB-CD2 3.59Å; A185-L668 HydrophobicContact CB-CD2 3.76Å
186	V	90.6	Very high	88.7	Confident	54 Å²	54	43 Å²	43	33%	0.327	23%	0.229	S	C	.	.	H	α-helix	trans	-66.9	-41.3	174.9	178	0	0	0	0	111	T182 V183 F184 L189 S190 V689	T182-V186 PolarHBondContact O-N 3.12Å; V183-V186 PolarHBondContact O-N 2.85Å; V183-V186 VanDerWaalsContact O-N 3.13Å; F184-V186 VanDerWaalsContact C-N 3.34Å; F184-V186 PolarHBondContact O-N 3.03Å; V186-L189 PolarHBondContact O-N 2.97Å; V186-S190 PolarHBondContact O-N 3.49Å; V186-V689 HydrophobicContact CG2-CG1 3.84Å; V186-V689 HydrophobicContact CG2-CG2 4.18Å
187	I	93.1	Very high	88.9	Confident	72 Å²	72	41.2 Å²	41.2	37%	0.369	21%	0.212	S	C	.	.	H	α-helix	trans	-60.3	-48.1	175.4	-66.8	170.1	0	0	0	110.2	V183 F184 L189 S190 L191	V183-I187 HydrophobicContact CG1-CD1 3.94Å; V183-I187 HydrophobicContact CG1-CG1 4.48Å; V183-I187 WeakPolarHBondContact O-CG1 3.42Å; V183-I187 PolarHBondContact O-N 2.9Å; F184-I187 HydrophobicContact CD1-CD1 4.47Å; F184-I187 PolarHBondContact O-N 2.85Å; I187-L189 VanDerWaalsContact C-N 3.34Å; I187-L189 PolarHBondContact O-N 3.38Å; I187-S190 PolarHBondContact O-N 2.91Å; I187-S190 VanDerWaalsContact O-N 3.15Å; I187-S190 PolarHBondContact O-OG 3.34Å; I187-L191 WeakPolarHBondContact O-CB 3.35Å; I187-L191 PolarHBondContact O-N 3.48Å
188	Y	93.3	Very high	89	Confident	3 Å²	3	41 Å²	41	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-39.4	179.5	-71.4	-0.2	0	0	0	112.2	I138 T141 S142 I146 F184 A185 T192 I612	I138-Y188 HydrophobicContact CB-CE1 4.43Å; I138-Y188 HydrophobicContact CD1-CG 4.42Å; I138-Y188 HydrophobicContact CG1-CD1 4.04Å; I138-Y188 HydrophobicContact CG1-CE1 4.06Å; I138-Y188 HydrophobicContact CG1-CG 4.28Å; I138-Y188 HydrophobicContact CG2-CD2 4.2Å; I138-Y188 HydrophobicContact CG2-CE1 4.27Å; I138-Y188 HydrophobicContact CG2-CE2 3.65Å; I138-Y188 PolarHBondContact O-OH 3.25Å; T141-Y188 VanDerWaalsContact OG1-CE1 3.29Å; T141-Y188 WeakPolarHBondContact OG1-CE1 3.22Å; T141-Y188 PolarHBondContact OG1-OH 3.42Å; S142-Y188 PolarHBondContact N-OH 3.25Å; S142-Y188 PolarHBondContact OG-OH 3.27Å; I146-Y188 HydrophobicContact CD1-CE2 4.4Å; F184-Y188 AromaticContact CD1-CE1 3.94Å; F184-Y188 HydrophobicContact CD1-CE1 3.94Å; F184-Y188 WeakPolarHBondContact O-CB 3.48Å; F184-Y188 WeakPolarHBondContact O-CD1 3.49Å; F184-Y188 VanDerWaalsContact O-CG 3.27Å; F184-Y188 PolarHBondContact O-N 3.5Å; A185-Y188 PolarHBondContact O-N 3.06Å; Y188-T192 WeakPolarHBondContact O-CB 3.47Å; Y188-T192 PolarHBondContact O-N 3.46Å; Y188-T192 PolarHBondContact O-OG1 3.21Å; Y188-I612 HydrophobicContact CD2-CD1 4.13Å; Y188-I612 HydrophobicContact CD2-CG1 4.04Å; Y188-I612 HydrophobicContact CE2-CD1 4.46Å; Y188-I612 HydrophobicContact CE2-CG1 3.94Å
189	L	91.2	Very high	89.2	Confident	26 Å²	26	40.1 Å²	40.1	14%	0.136	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-51.1	171.1	175.7	69.5	0	0	0	111.3	A185 V186 I187 L191 T192 V193 P661 L665 T693	A185-L189 WeakPolarHBondContact O-CB 3.42Å; A185-L189 PolarHBondContact O-N 2.87Å; V186-L189 PolarHBondContact O-N 2.97Å; I187-L189 VanDerWaalsContact C-N 3.34Å; I187-L189 PolarHBondContact O-N 3.38Å; L189-L191 VanDerWaalsContact C-N 3.34Å; L189-L191 PolarHBondContact O-N 3.47Å; L189-T192 PolarHBondContact O-N 3.15Å; L189-V193 HydrophobicContact CD1-CG2 4.48Å; L189-V193 WeakPolarHBondContact O-CG2 3.08Å; L189-V193 PolarHBondContact O-N 3.29Å; L189-P661 HydrophobicContact CB-CB 4.17Å; L189-P661 HydrophobicContact CD1-CB 3.72Å; L189-P661 HydrophobicContact CD1-CG 3.64Å; L189-L665 HydrophobicContact CD2-CD1 4.08Å; L189-T693 HydrophobicContact CD2-CG2 3.34Å
190	S	90.3	Very high	88.9	Confident	63 Å²	63	35.4 Å²	35.4	44%	0.441	19%	0.192	S	C	.	.	H	α-helix	trans	-60.9	-43.3	-178.2	73.4	0	0	0	0	112.1	V186 I187 V193 V194	V186-S190 PolarHBondContact O-N 3.49Å; I187-S190 PolarHBondContact O-N 2.91Å; I187-S190 VanDerWaalsContact O-N 3.15Å; I187-S190 PolarHBondContact O-OG 3.34Å; S190-V193 PolarHBondContact O-N 2.75Å; S190-V194 WeakPolarHBondContact O-CG2 3.5Å; S190-V194 PolarHBondContact O-N 3.32Å
191	L	92.3	Very high	88.4	Confident	30 Å²	30	36.6 Å²	36.6	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-42.9	178.1	-176.2	66.5	0	0	0	111.4	L134 I137 I138 I187 L189 V193 V194 M195	L134-L191 HydrophobicContact CD1-CB 4.17Å; L134-L191 HydrophobicContact CD1-CD2 3.57Å; L134-L191 HydrophobicContact CD1-CG 3.51Å; I137-L191 HydrophobicContact CB-CD2 3.85Å; I137-L191 HydrophobicContact CD1-CD1 4.04Å; I137-L191 HydrophobicContact CD1-CD2 4.23Å; I137-L191 HydrophobicContact CG2-CD2 3.46Å; I137-L191 VanDerWaalsContact CG2-CD2 3.46Å; I138-L191 HydrophobicContact CG1-CD2 4.34Å; I187-L191 WeakPolarHBondContact O-CB 3.35Å; I187-L191 PolarHBondContact O-N 3.48Å; L189-L191 VanDerWaalsContact C-N 3.34Å; L189-L191 PolarHBondContact O-N 3.47Å; L191-V193 PolarHBondContact O-N 3.31Å; L191-V194 PolarHBondContact O-N 2.97Å; L191-M195 HydrophobicContact CD1-CE 3.99Å; L191-M195 HydrophobicContact CD1-CG 4.38Å; L191-M195 WeakPolarHBondContact O-CB 3.42Å; L191-M195 WeakPolarHBondContact O-CG 3.38Å; L191-M195 PolarHBondContact O-N 3.34Å
192	T	90.5	Very high	87.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-46	176.2	-56.8	0	0	0	0	110.8	L134 Y188 L189 V194 M195 L196 P661	L134-T192 HydrophobicContact CD2-CG2 3.98Å; Y188-T192 WeakPolarHBondContact O-CB 3.47Å; Y188-T192 PolarHBondContact O-N 3.46Å; Y188-T192 PolarHBondContact O-OG1 3.21Å; L189-T192 PolarHBondContact O-N 3.15Å; T192-V194 PolarHBondContact O-N 2.84Å; T192-M195 PolarHBondContact O-N 3.11Å; T192-L196 HydrophobicContact CG2-CD1 3.78Å; T192-L196 HydrophobicContact CG2-CG 4.35Å; T192-L196 WeakPolarHBondContact O-CB 3.48Å; T192-L196 VanDerWaalsContact O-CG 3.25Å; T192-L196 WeakPolarHBondContact O-CG 2.98Å; T192-L196 PolarHBondContact O-N 3.34Å; T192-P661 HydrophobicContact CG2-CG 4.02Å
193	V	88.8	Confident	86.8	Confident	47 Å²	47	41.7 Å²	41.7	29%	0.285	23%	0.227	S	C	.	.	H	α-helix	trans	-61.8	-44.5	177.5	172.9	0	0	0	0	111.6	L189 S190 L191 R197 L658	L189-V193 HydrophobicContact CD1-CG2 4.48Å; L189-V193 WeakPolarHBondContact O-CG2 3.08Å; L189-V193 PolarHBondContact O-N 3.29Å; S190-V193 PolarHBondContact O-N 2.75Å; L191-V193 PolarHBondContact O-N 3.31Å; V193-R197 WeakPolarHBondContact O-CB 3.4Å; V193-R197 VanDerWaalsContact O-CG 3.28Å; V193-R197 WeakPolarHBondContact O-CG 3.44Å; V193-R197 PolarHBondContact O-N 3.06Å; V193-L658 HydrophobicContact CG2-CD2 3.8Å
194	V	88.7	Confident	85.5	Confident	76 Å²	76	42.7 Å²	42.7	46%	0.461	23%	0.226	S	C	.	.	H	α-helix	trans	-63	-49.4	178.9	170.6	0	0	0	0	110.9	S190 L191 T192 L196 R197 L198	S190-V194 WeakPolarHBondContact O-CG2 3.5Å; S190-V194 PolarHBondContact O-N 3.32Å; L191-V194 PolarHBondContact O-N 2.97Å; T192-V194 PolarHBondContact O-N 2.84Å; V194-L196 PolarHBondContact O-N 3.2Å; V194-R197 WeakPolarHBondContact O-CB 3.28Å; V194-R197 PolarHBondContact O-N 2.89Å; V194-L198 HydrophobicContact CG1-CD1 4.19Å; V194-L198 WeakPolarHBondContact O-CG 3.48Å; V194-L198 PolarHBondContact O-N 3.46Å
195	M	89.1	Confident	83.5	Confident	31 Å²	31	45.5 Å²	45.5	15%	0.153	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-41.9	-178.9	-71.6	-62.9	162.2	0	0	112.4	I133 L134 I137 L191 T192 L198 H199	I133-M195 HydrophobicContact CG2-CE 4.38Å; I133-M195 HydrophobicContact CG2-SD 4.27Å; L134-M195 HydrophobicContact CB-CG 4.45Å; L134-M195 HydrophobicContact CD1-CG 4.38Å; I137-M195 HydrophobicContact CD1-CE 3.85Å; L191-M195 HydrophobicContact CD1-CE 3.99Å; L191-M195 HydrophobicContact CD1-CG 4.38Å; L191-M195 WeakPolarHBondContact O-CB 3.42Å; L191-M195 WeakPolarHBondContact O-CG 3.38Å; L191-M195 PolarHBondContact O-N 3.34Å; T192-M195 PolarHBondContact O-N 3.11Å; M195-L198 PolarHBondContact O-N 3.33Å; M195-L198 HydrophobicContact SD-CD1 4.19Å; M195-H199 PolarHBondContact O-N 2.9Å
196	L	87.4	Confident	81.8	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-68.7	-33	176.7	-69.4	178	0	0	0	112.6	F127 L131 T192 V194 T200 V654 A657 L658	F127-L196 HydrophobicContact CE2-CD2 4.09Å; L131-L196 HydrophobicContact CD2-CD2 4.41Å; T192-L196 HydrophobicContact CG2-CD1 3.78Å; T192-L196 HydrophobicContact CG2-CG 4.35Å; T192-L196 WeakPolarHBondContact O-CB 3.48Å; T192-L196 VanDerWaalsContact O-CG 3.25Å; T192-L196 WeakPolarHBondContact O-CG 2.98Å; T192-L196 PolarHBondContact O-N 3.34Å; V194-L196 PolarHBondContact O-N 3.2Å; L196-T200 WeakPolarHBondContact O-CB 3.37Å; L196-T200 PolarHBondContact O-N 3.48Å; L196-T200 PolarHBondContact O-OG1 3.07Å; L196-V654 HydrophobicContact CB-CG1 3.99Å; L196-V654 HydrophobicContact CD1-CG1 4.39Å; L196-V654 HydrophobicContact CD2-CG1 4.27Å; L196-V654 HydrophobicContact CG-CG1 4.45Å; L196-A657 HydrophobicContact CD1-CB 3.83Å; L196-A657 HydrophobicContact CD2-CB 4.16Å; L196-L658 HydrophobicContact CD1-CD2 3.58Å; L196-L658 HydrophobicContact CD1-CG 3.72Å
197	R	83.6	Confident	79.8	Confident	97 Å²	97	52.8 Å²	52.8	37%	0.366	28%	0.283	S	S	.	.	H	α-helix	trans	-66.3	-43.4	171.9	-80.3	-178	-178.5	-110.8	-0.3	112.3	V193 V194 H199 T200 S201 L709 P711	V193-R197 WeakPolarHBondContact O-CB 3.4Å; V193-R197 VanDerWaalsContact O-CG 3.28Å; V193-R197 WeakPolarHBondContact O-CG 3.44Å; V193-R197 PolarHBondContact O-N 3.06Å; V194-R197 WeakPolarHBondContact O-CB 3.28Å; V194-R197 PolarHBondContact O-N 2.89Å; R197-H199 VanDerWaalsContact C-N 3.33Å; R197-T200 PolarHBondContact O-N 3.49Å; R197-S201 WeakPolarHBondContact O-CB 3.35Å; R197-S201 PolarHBondContact O-N 3.5Å; R197-L709 PolarHBondContact NH1-O 3.34Å; R197-L709 PolarHBondContact NH2-O 2.87Å; R197-P711 HydrophobicContact CG-CB 4.23Å; R197-P711 HydrophobicContact CG-CG 4.24Å
198	L	84.1	Confident	78	Confident	97 Å²	97	55.1 Å²	55.1	51%	0.508	29%	0.287	S	S	.	.	H	α-helix	trans	-58.8	-47	175.8	-70.4	172.8	0	0	0	110.8	V194 M195 T200 S201 K202	V194-L198 HydrophobicContact CG1-CD1 4.19Å; V194-L198 WeakPolarHBondContact O-CG 3.48Å; V194-L198 PolarHBondContact O-N 3.46Å; M195-L198 PolarHBondContact O-N 3.33Å; M195-L198 HydrophobicContact SD-CD1 4.19Å; L198-T200 PolarHBondContact O-N 3.04Å; L198-S201 WeakPolarHBondContact O-CB 3.46Å; L198-S201 PolarHBondContact O-N 2.92Å; L198-K202 PolarHBondContact O-N 3.21Å
199	H	84.6	Confident	76	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58	-49.5	175.4	179.2	59.4	0	0	0	112.4	S126 F127 H130 M195 R197 S201 K202 M203	S126-H199 PolarHBondContact OG-ND1 3.07Å; F127-H199 VanDerWaalsContact CA-CE1 3.43Å; F127-H199 WeakPolarHBondContact CA-CE1 3.48Å; F127-H199 AromaticContact CD2-CD2 3.95Å; F127-H199 AromaticContact CD2-NE2 3.79Å; F127-H199 PolarHBondContact N-CE1 3.12Å; F127-H199 VanDerWaalsContact N-CE1 3.33Å; H130-H199 HydrophobicContact CB-CB 4.33Å; H130-H199 AromaticContact CE1-ND1 3.55Å; H130-H199 AromaticContact ND1-CG 3.96Å; H130-H199 AromaticContact ND1-ND1 3.4Å; H130-H199 PolarHBondContact ND1-ND1 3.13Å; M195-H199 PolarHBondContact O-N 2.9Å; R197-H199 VanDerWaalsContact C-N 3.33Å; H199-S201 VanDerWaalsContact C-N 3.28Å; H199-S201 PolarHBondContact O-N 3.02Å; H199-K202 PolarHBondContact O-N 3.22Å; H199-M203 VanDerWaalsContact CE1-CE 3.4Å; H199-M203 WeakPolarHBondContact CE1-CE 3.25Å; H199-M203 WeakPolarHBondContact NE2-CE 3.46Å; H199-M203 PolarHBondContact O-N 2.94Å; H199-M203 VanDerWaalsContact O-N 3.15Å
200	T	80.4	Confident	74.3	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-34.4	-179.6	-55.6	0	0	0	0	112	L196 R197 L198 M203 K204 L651 P711	L196-T200 WeakPolarHBondContact O-CB 3.37Å; L196-T200 PolarHBondContact O-N 3.48Å; L196-T200 PolarHBondContact O-OG1 3.07Å; R197-T200 PolarHBondContact O-N 3.49Å; L198-T200 PolarHBondContact O-N 3.04Å; T200-M203 PolarHBondContact O-N 3.03Å; T200-K204 WeakPolarHBondContact O-CG 3.48Å; T200-K204 PolarHBondContact O-N 2.73Å; T200-L651 HydrophobicContact CG2-CD2 3.84Å; T200-P711 HydrophobicContact CG2-CB 4.24Å
201	S	78.4	Confident	72.7	Confident	73 Å²	73	61 Å²	61	51%	0.51	30%	0.303	S	S	.	.	H	α-helix	trans	-65.3	-45	175.1	178.7	0	0	0	0	111.4	R197 L198 H199 M203 K204	R197-S201 WeakPolarHBondContact O-CB 3.35Å; R197-S201 PolarHBondContact O-N 3.5Å; L198-S201 WeakPolarHBondContact O-CB 3.46Å; L198-S201 PolarHBondContact O-N 2.92Å; H199-S201 VanDerWaalsContact C-N 3.28Å; H199-S201 PolarHBondContact O-N 3.02Å; S201-M203 VanDerWaalsContact C-N 3.27Å; S201-M203 PolarHBondContact O-N 3.47Å; S201-K204 WeakPolarHBondContact O-CB 3.36Å; S201-K204 PolarHBondContact O-N 2.98Å
202	K	74.3	Confident	71.6	Confident	105 Å²	105	61.4 Å²	61.4	46%	0.457	30%	0.303	S	S	.	.	H	α-helix	trans	-59.6	-37.3	175.8	-167.3	179.7	178.8	-172.1	0	112.3	L198 H199 K204	L198-K202 PolarHBondContact O-N 3.21Å; H199-K202 PolarHBondContact O-N 3.22Å; K202-K204 PolarHBondContact O-N 3.42Å
203	M	70.3	Confident	71.2	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.03	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-67.1	-14.8	174.1	-72.1	176.2	158.1	0	0	114.6	H123 H199 T200 S201 R647 H650	H123-M203 HydrophobicContact CB-CE 3.73Å; H199-M203 VanDerWaalsContact CE1-CE 3.4Å; H199-M203 WeakPolarHBondContact CE1-CE 3.25Å; H199-M203 WeakPolarHBondContact NE2-CE 3.46Å; H199-M203 PolarHBondContact O-N 2.94Å; H199-M203 VanDerWaalsContact O-N 3.15Å; T200-M203 PolarHBondContact O-N 3.03Å; S201-M203 VanDerWaalsContact C-N 3.27Å; S201-M203 PolarHBondContact O-N 3.47Å; M203-R647 PolarHBondContact O-NH1 3.07Å; M203-H650 HydrophobicContact CE-CB 3.89Å
204	K	61.8	Low	71.2	Confident	90 Å²	90	59.4 Å²	59.4	39%	0.391	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-72.9	-31.2	-178.2	-72.3	177.6	-176.6	-176.5	0	113.2	T200 S201 K202	T200-K204 WeakPolarHBondContact O-CG 3.48Å; T200-K204 PolarHBondContact O-N 2.73Å; S201-K204 WeakPolarHBondContact O-CB 3.36Å; S201-K204 PolarHBondContact O-N 2.98Å; K202-K204 PolarHBondContact O-N 3.42Å
205	G	51.2	Low	71.3	Confident	76 Å²	76	55.8 Å²	55.8	78%	0.784	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-87	0.5	-177	0	0	0	0	0	115.5
206	M	53	Low	71.3	Confident	51 Å²	51	54.4 Å²	54.4	25%	0.251	26%	0.262	S	S	.	.	S	Bend	trans	-98.1	127.4	-174.1	-74.3	172.5	75.7	0	0	111.1	M119 V122 R208	M119-M206 HydrophobicContact CE-CB 3.59Å; M119-M206 HydrophobicContact CE-CE 3.27Å; M119-M206 HydrophobicContact CE-CG 4.02Å; M119-M206 HydrophobicContact CE-SD 4.43Å; M119-M206 HydrophobicContact SD-CE 3.96Å; V122-M206 HydrophobicContact CG1-CE 4.13Å; M206-R208 PolarHBondContact O-N 3.13Å
207	R	50.2	Low	71.5	Confident	159 Å²	159	54.2 Å²	54.2	60%	0.6	26%	0.26	S	S	*	.			trans	-50	132.5	-173.2	-169.9	174.3	-174.9	148.5	8.5	111.7	D722	R207-D722 IonicContact NH2-OD1 3.24Å; R207-D722 PolarHBondContact NH2-OD1 2.96Å
208	R	53.9	Low	71.9	Confident	122 Å²	122	49.9 Å²	49.9	46%	0.46	25%	0.245	S	C	.	.			trans	-93.4	113.8	178.7	-67.5	159.2	168.2	149.6	2	109.8	M206 R210	M206-R208 PolarHBondContact O-N 3.13Å; R208-R210 VanDerWaalsContact C-N 3.29Å; R208-R210 PolarHBondContact O-N 2.99Å; R208-R210 VanDerWaalsContact O-N 3.1Å
209	E	51.9	Low	72.1	Confident	118 Å²	118	47.9 Å²	47.9	55%	0.551	24%	0.239	S	C	*	.			trans	-83.5	60.3	174	-68.9	178.3	-164.1	0	0	112.2	R644	E209-R644 IonicContact OE2-CZ 3.67Å; E209-R644 IonicContact OE2-NE 2.97Å; E209-R644 PolarHBondContact OE2-NE 2.98Å; E209-R644 IonicContact OE2-NH2 2.62Å
210	R	54.5	Low	72.4	Confident	95 Å²	95	48.3 Å²	48.3	36%	0.358	24%	0.242	S	C	.	.			trans	-100.5	147.1	168.6	-168.6	178.5	-72.3	170.6	-7.9	108.9	R208 R212 D646	R208-R210 VanDerWaalsContact C-N 3.29Å; R208-R210 PolarHBondContact O-N 2.99Å; R208-R210 VanDerWaalsContact O-N 3.1Å; R210-R212 HydrophobicContact CB-CG 3.87Å; R210-R212 HydrophobicContact CG-CG 4.48Å; R210-R212 WeakPolarHBondContact O-CG 3.4Å; R210-R212 PolarHBondContact O-N 3.47Å; R210-D646 IonicContact CZ-OD1 3.19Å; R210-D646 IonicContact NE-OD1 3.6Å; R210-D646 PolarHBondContact NE-OD1 3.48Å; R210-D646 IonicContact NH2-OD1 3.78Å; R210-D646 PolarHBondContact NH2-OD1 2.91Å
211	A	58.5	Low	72.9	Confident	1 Å²	1	50 Å²	50	1%	0.008	25%	0.253	C	S	.	.			trans	-69.6	78.4	165.6	0	0	0	0	0	108.7	N213 T214 L733 Y735	A211-N213 PolarHBondContact O-N 3.41Å; A211-T214 PolarHBondContact O-N 3.06Å; A211-L733 HydrophobicContact CB-CD1 3.84Å; A211-Y735 HydrophobicContact CB-CE2 4.13Å; A211-Y735 WeakPolarHBondContact CB-OH 3.45Å
212	R	67.6	Low	73.3	Confident	40 Å²	40	53.8 Å²	53.8	15%	0.151	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.2	-168.3	-65	-173.1	179	176.4	6.3	113.2	R210 E340 A343	R210-R212 HydrophobicContact CB-CG 3.87Å; R210-R212 HydrophobicContact CG-CG 4.48Å; R210-R212 WeakPolarHBondContact O-CG 3.4Å; R210-R212 PolarHBondContact O-N 3.47Å; R212-E340 HydrophobicContact CB-CB 3.88Å; R212-E340 VanDerWaalsContact CB-CD 3.47Å; R212-E340 HydrophobicContact CB-CG 3.59Å; R212-E340 WeakPolarHBondContact CD-OE1 3.08Å; R212-E340 WeakPolarHBondContact CD-OE2 3.05Å; R212-E340 IonicContact CZ-OE1 3.11Å; R212-E340 IonicContact CZ-OE2 3.45Å; R212-E340 IonicContact NE-OE1 3.91Å; R212-E340 IonicContact NE-OE2 3.2Å; R212-E340 IonicContact NH1-OE1 3.88Å; R212-E340 PolarHBondContact NH1-OE1 3.34Å; R212-E340 IonicContact NH1-OE2 2.71Å; R212-E340 PolarHBondContact NH1-OE2 3.47Å; R212-A343 WeakPolarHBondContact O-CB 3.4Å
213	N	82.5	Confident	74	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.027	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.6	173.4	65.4	-27.3	0	0	0	113.5	A211 L337 S730	A211-N213 PolarHBondContact O-N 3.41Å; N213-L337 WeakPolarHBondContact CB-O 3.47Å; N213-L337 PolarHBondContact ND2-O 2.96Å; N213-L337 WeakPolarHBondContact O-CB 3.44Å; N213-L337 PolarHBondContact O-N 3.15Å; N213-S730 PolarHBondContact ND2-O 3.3Å; N213-S730 VanDerWaalsContact ND2-O 3.15Å
214	T	88.8	Confident	74.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131	179.2	-53.3	0	0	0	0	112.4	A211 F334 V335 T336 A385 Y735	A211-T214 PolarHBondContact O-N 3.06Å; T214-F334 HydrophobicContact CG2-CB 4.16Å; T214-V335 CarbonylContact C-O 3.59Å; T214-V335 WeakPolarHBondContact CA-O 3.49Å; T214-T336 WeakPolarHBondContact CG2-OG1 3.23Å; T214-T336 PolarHBondContact OG1-OG1 3.36Å; T214-A385 HydrophobicContact CG2-CB 3.76Å; T214-A385 WeakPolarHBondContact O-CB 3.42Å; T214-A385 PolarHBondContact O-N 2.9Å; T214-Y735 HydrophobicContact CG2-CD2 3.79Å; T214-Y735 HydrophobicContact CG2-CE2 3.67Å; T214-Y735 HydrophobicContact CG2-CG 4.29Å; T214-Y735 WeakPolarHBondContact OG1-CE2 3.28Å
215	L	90.1	Very high	76.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.8	174.4	-62.8	176.6	0	0	0	110.6	F334 V335 L337 A343 I346 L347 V382 F384	L215-F334 CarbonylContact O-C 3.59Å; L215-F334 WeakPolarHBondContact O-CA 3.36Å; L215-V335 HydrophobicContact CB-CB 4.46Å; L215-V335 PolarHBondContact N-O 3.49Å; L215-V335 PolarHBondContact O-N 2.98Å; L215-L337 HydrophobicContact CD1-CD1 3.89Å; L215-L337 HydrophobicContact CG-CD1 4.22Å; L215-A343 HydrophobicContact CD2-CB 3.98Å; L215-A343 HydrophobicContact CG-CB 4.16Å; L215-I346 HydrophobicContact CD1-CB 3.92Å; L215-I346 HydrophobicContact CD1-CD1 4.26Å; L215-I346 HydrophobicContact CD1-CG2 3.61Å; L215-L347 HydrophobicContact CD2-CB 4.44Å; L215-V382 HydrophobicContact CB-CG1 4.17Å; L215-V382 HydrophobicContact CD1-CG1 4.12Å; L215-V382 HydrophobicContact CD2-CG1 4.15Å; L215-V382 HydrophobicContact CG-CG1 4.39Å; L215-F384 HydrophobicContact CD2-CD1 4.2Å; L215-F384 HydrophobicContact CD2-CE1 4.39Å
216	F	90.9	Very high	78	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.9	169.3	-179.1	-123.4	0	0	0	109.2	C218 V332 F334 S383 A385 L396 R399 W478	F216-C218 WeakPolarHBondContact CE1-SG 3.5Å; F216-V332 HydrophobicContact CE2-CB 4.18Å; F216-F334 AromaticContact CD2-CD1 3.88Å; F216-F334 HydrophobicContact CD2-CD1 3.88Å; F216-F334 AromaticContact CD2-CE1 3.43Å; F216-F334 HydrophobicContact CD2-CE1 3.43Å; F216-F334 VanDerWaalsContact CD2-CE1 3.43Å; F216-F334 HydrophobicContact CD2-CE2 4.3Å; F216-F334 HydrophobicContact CD2-CG 4.5Å; F216-F334 AromaticContact CD2-CZ 3.67Å; F216-F334 HydrophobicContact CD2-CZ 3.67Å; F216-F334 AromaticContact CE2-CE1 3.91Å; F216-F334 HydrophobicContact CE2-CE1 3.91Å; F216-F334 HydrophobicContact CE2-CE2 4.19Å; F216-F334 AromaticContact CE2-CZ 3.65Å; F216-F334 HydrophobicContact CE2-CZ 3.65Å; F216-F334 HydrophobicContact CG-CE1 4.27Å; F216-S383 PolarHBondContact N-O 3.46Å; F216-S383 PolarHBondContact O-N 2.86Å; F216-A385 HydrophobicContact CB-CB 4.1Å; F216-L396 HydrophobicContact CE2-CD1 4.46Å; F216-L396 HydrophobicContact CZ-CD1 4.15Å; F216-R399 VanDerWaalsContact CZ-NH1 3.33Å; F216-W478 AromaticContact CD1-CH2 3.85Å; F216-W478 HydrophobicContact CD1-CH2 3.85Å; F216-W478 HydrophobicContact CD1-CZ2 4.36Å; F216-W478 HydrophobicContact CD1-CZ3 4.4Å; F216-W478 AromaticContact CE1-CH2 3.55Å; F216-W478 HydrophobicContact CE1-CH2 3.55Å; F216-W478 AromaticContact CE1-CZ2 3.8Å; F216-W478 HydrophobicContact CE1-CZ2 3.8Å; F216-W478 AromaticContact CE1-CZ3 3.96Å; F216-W478 HydrophobicContact CE1-CZ3 3.96Å; F216-W478 HydrophobicContact CZ-CE3 4.43Å; F216-W478 HydrophobicContact CZ-CH2 4.17Å; F216-W478 HydrophobicContact CZ-CZ3 4.11Å
217	V	91.8	Very high	79.8	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.7	-175.9	-174.5	0	0	0	0	109	I220 F233 V332 A333 V335 W380 V382	V217-I220 HydrophobicContact CB-CD1 4.12Å; V217-I220 HydrophobicContact CG1-CD1 3.88Å; V217-I220 HydrophobicContact CG1-CG1 3.93Å; V217-F233 HydrophobicContact CG2-CE2 4.28Å; V217-F233 HydrophobicContact CG2-CZ 3.93Å; V217-V332 CarbonylContact O-C 3.59Å; V217-V332 VanDerWaalsContact O-CA 3.29Å; V217-V332 WeakPolarHBondContact O-CA 3.39Å; V217-A333 PolarHBondContact N-O 2.93Å; V217-A333 PolarHBondContact O-N 3.01Å; V217-V335 HydrophobicContact CG2-CG2 4.06Å; V217-W380 HydrophobicContact CG1-CB 4.36Å; V217-W380 HydrophobicContact CG1-CD2 3.76Å; V217-W380 HydrophobicContact CG1-CE3 3.48Å; V217-W380 VanDerWaalsContact CG1-CE3 3.48Å; V217-W380 HydrophobicContact CG1-CG 4.19Å; V217-W380 HydrophobicContact CG1-CZ3 3.97Å; V217-V382 HydrophobicContact CG1-CG2 4.39Å; V217-V382 HydrophobicContact CG2-CG1 4.49Å; V217-V382 HydrophobicContact CG2-CG2 4.35Å
218	C	90.1	Very high	81.8	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	160.7	179.9	-60.8	0	0	0	0	111.6	F216 W380 R381 R399	F216-C218 WeakPolarHBondContact CE1-SG 3.5Å; C218-W380 WeakPolarHBondContact O-CA 3.36Å; C218-R381 HydrophobicContact CB-CB 4.33Å; C218-R381 PolarHBondContact N-O 2.6Å; C218-R381 PolarHBondContact O-N 2.76Å; C218-R381 VanDerWaalsContact O-N 3.14Å; C218-R399 PolarHBondContact SG-NH1 3.27Å; C218-R399 PolarHBondContact SG-NH2 3.34Å
219	S	88.5	Confident	83.6	Confident	56 Å²	56	51.3 Å²	51.3	39%	0.392	24%	0.241	S	C	.	.			trans	71.8	29.9	179.1	-46.2	0	0	0	0	113.7	G331 K379	S219-G331 PolarHBondContact N-O 3.23Å; S219-G331 VanDerWaalsContact N-O 3.15Å; S219-K379 VanDerWaalsContact CB-O 3.29Å; S219-K379 WeakPolarHBondContact CB-O 3.45Å; S219-K379 PolarHBondContact OG-O 2.7Å
220	I	91.1	Very high	85.6	Confident	9 Å²	9	49.7 Å²	49.7	5%	0.046	23%	0.232	C	C	.	.			trans	-75.3	136.2	173.4	-55.9	176.6	0	0	0	108.4	V217 K222 A224 V229 G331 A333 W380	V217-I220 HydrophobicContact CB-CD1 4.12Å; V217-I220 HydrophobicContact CG1-CD1 3.88Å; V217-I220 HydrophobicContact CG1-CG1 3.93Å; I220-K222 PolarHBondContact O-N 2.93Å; I220-A224 HydrophobicContact CG2-CB 3.6Å; I220-V229 HydrophobicContact CD1-CG2 4.35Å; I220-V229 HydrophobicContact CG2-CG2 4.22Å; I220-G331 PolarHBondContact N-O 2.97Å; I220-G331 WeakPolarHBondContact O-CA 3.36Å; I220-A333 HydrophobicContact CD1-CB 3.32Å; I220-W380 HydrophobicContact CG1-CZ2 4.05Å; I220-W380 HydrophobicContact CG2-CZ2 4.37Å
221	P	91.3	Very high	87.4	Confident	37 Å²	37	47.4 Å²	47.4	24%	0.24	23%	0.229	C	C	.	.			trans	-54.4	135.2	173.7	-26.9	35.8	0	0	0	111.4	R223 A224 L375 N376	P221-R223 PolarHBondContact O-N 2.96Å; P221-A224 WeakPolarHBondContact O-CB 3.38Å; P221-A224 PolarHBondContact O-N 3.4Å; P221-L375 WeakPolarHBondContact CD-O 3.12Å; P221-L375 WeakPolarHBondContact CG-O 3.44Å; P221-N376 HydrophobicContact CG-CB 4.49Å
222	K	87.4	Confident	89.1	Confident	152 Å²	152	47.4 Å²	47.4	66%	0.661	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.1	-177.7	-70.2	-175.5	-178.8	-179.3	0	114.5	I220 P329	I220-K222 PolarHBondContact O-N 2.93Å; K222-P329 HydrophobicContact CB-CG 4.04Å; K222-P329 WeakPolarHBondContact O-CG 3.46Å
223	R	88.3	Confident	90.3	Very high	240 Å²	240	45.5 Å²	45.5	91%	0.906	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-6.2	177.3	-63.3	-178.2	179.8	173.4	-1	113.2	P221	P221-R223 PolarHBondContact O-N 2.96Å
224	A	88.4	Confident	90.8	Very high	14 Å²	14	48.6 Å²	48.6	12%	0.116	24%	0.241	C	C	.	.			trans	-69.9	139.5	-177.2	0	0	0	0	0	111.4	I220 P221 L375	I220-A224 HydrophobicContact CG2-CB 3.6Å; P221-A224 WeakPolarHBondContact O-CB 3.38Å; P221-A224 PolarHBondContact O-N 3.4Å; A224-L375 HydrophobicContact CB-CD2 3.47Å; A224-L375 VanDerWaalsContact CB-CD2 3.47Å
225	T	90.7	Very high	91.1	Very high	67 Å²	67	53 Å²	53	41%	0.411	26%	0.261	S	S	.	.			trans	-91.6	160.7	171	63.2	0	0	0	0	111.3	E227 Q228 V229	T225-E227 VanDerWaalsContact C-N 3.29Å; T225-Q228 PolarHBondContact O-N 2.72Å; T225-Q228 WeakPolarHBondContact OG1-CG 3.37Å; T225-Q228 PolarHBondContact OG1-N 3.06Å; T225-V229 PolarHBondContact O-N 3.31Å
226	D	88.9	Confident	91.1	Very high	72 Å²	72	53.3 Å²	53.3	39%	0.385	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-41.1	173.5	56	-23.2	0	0	0	111.7	Q228 V229 K230 V245 L247	D226-Q228 PolarHBondContact O-N 2.93Å; D226-V229 PolarHBondContact O-N 3.48Å; D226-K230 WeakPolarHBondContact O-CB 3.38Å; D226-K230 PolarHBondContact O-N 3.14Å; D226-V245 HydrophobicContact CB-CG1 4.4Å; D226-L247 HydrophobicContact CB-CD1 4.23Å; D226-L247 HydrophobicContact CB-CG 4.15Å
227	E	91	Very high	91.1	Very high	103 Å²	103	53.3 Å²	53.3	48%	0.481	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-41.5	175.5	-66.4	-57.3	153.6	0	0	112.4	T225 V229 K230 T231	T225-E227 VanDerWaalsContact C-N 3.29Å; E227-V229 VanDerWaalsContact C-N 3.33Å; E227-V229 PolarHBondContact O-N 3.18Å; E227-K230 WeakPolarHBondContact O-CB 3.12Å; E227-K230 PolarHBondContact O-N 2.75Å; E227-T231 WeakPolarHBondContact O-CB 3.41Å; E227-T231 PolarHBondContact O-N 3.43Å; E227-T231 PolarHBondContact O-OG1 2.73Å
228	Q	91.5	Very high	91	Very high	60 Å²	60	58.8 Å²	58.8	28%	0.28	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176	-75.4	176.2	-42.3	0	0	112	T225 D226 K230 T231 H232 L375	T225-Q228 PolarHBondContact O-N 2.72Å; T225-Q228 WeakPolarHBondContact OG1-CG 3.37Å; T225-Q228 PolarHBondContact OG1-N 3.06Å; D226-Q228 PolarHBondContact O-N 2.93Å; Q228-K230 VanDerWaalsContact C-N 3.34Å; Q228-T231 PolarHBondContact O-N 3.11Å; Q228-H232 PolarHBondContact O-N 3.38Å; Q228-L375 HydrophobicContact CB-CD1 4.47Å; Q228-L375 HydrophobicContact CB-CD2 4.28Å
229	V	92.2	Very high	90.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.7	-40.4	177.3	175.3	0	0	0	0	110.6	I220 T225 D226 E227 H232 F233 V245 L247 V335 L375 W380	I220-V229 HydrophobicContact CD1-CG2 4.35Å; I220-V229 HydrophobicContact CG2-CG2 4.22Å; T225-V229 PolarHBondContact O-N 3.31Å; D226-V229 PolarHBondContact O-N 3.48Å; E227-V229 VanDerWaalsContact C-N 3.33Å; E227-V229 PolarHBondContact O-N 3.18Å; V229-H232 WeakPolarHBondContact O-CB 3.25Å; V229-H232 PolarHBondContact O-N 2.86Å; V229-F233 HydrophobicContact CG1-CD2 3.99Å; V229-F233 HydrophobicContact CG1-CE2 3.86Å; V229-F233 VanDerWaalsContact O-CD2 3.28Å; V229-F233 WeakPolarHBondContact O-CD2 3.38Å; V229-F233 PolarHBondContact O-N 3.5Å; V229-V245 HydrophobicContact CB-CG1 4.08Å; V229-V245 HydrophobicContact CG1-CG1 3.86Å; V229-L247 HydrophobicContact CG2-CD2 4.41Å; V229-V335 HydrophobicContact CG1-CG2 4.2Å; V229-L375 HydrophobicContact CG2-CD2 4.44Å; V229-W380 HydrophobicContact CG1-CH2 4.38Å
230	K	93.1	Very high	90.8	Very high	84 Å²	84	60.2 Å²	60.2	37%	0.365	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-44.3	175.7	-173.7	-179	174.4	-171.1	0	112	D226 E227 Q228 H232 F233 T234 V242 V245	D226-K230 WeakPolarHBondContact O-CB 3.38Å; D226-K230 PolarHBondContact O-N 3.14Å; E227-K230 WeakPolarHBondContact O-CB 3.12Å; E227-K230 PolarHBondContact O-N 2.75Å; Q228-K230 VanDerWaalsContact C-N 3.34Å; K230-H232 VanDerWaalsContact C-N 3.34Å; K230-H232 PolarHBondContact O-N 3.04Å; K230-F233 PolarHBondContact O-N 3.24Å; K230-T234 WeakPolarHBondContact O-CB 3.34Å; K230-T234 PolarHBondContact O-N 3.33Å; K230-T234 PolarHBondContact O-OG1 3.04Å; K230-V242 HydrophobicContact CG-CG1 4.32Å; K230-V245 HydrophobicContact CB-CG2 3.92Å; K230-V245 HydrophobicContact CG-CG2 4.37Å
231	T	93.4	Very high	90.7	Very high	48 Å²	48	65 Å²	65	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-58.7	-45.7	175.2	-61.1	0	0	0	0	111	E227 Q228 F233 T234 E235 V371	E227-T231 WeakPolarHBondContact O-CB 3.41Å; E227-T231 PolarHBondContact O-N 3.43Å; E227-T231 PolarHBondContact O-OG1 2.73Å; Q228-T231 PolarHBondContact O-N 3.11Å; T231-F233 PolarHBondContact O-N 3.08Å; T231-T234 PolarHBondContact O-N 3.41Å; T231-E235 HydrophobicContact CG2-CG 4.14Å; T231-E235 VanDerWaalsContact CG2-OE1 3.23Å; T231-E235 WeakPolarHBondContact CG2-OE1 3.39Å; T231-E235 WeakPolarHBondContact O-CB 3.41Å; T231-E235 WeakPolarHBondContact O-CG 3.28Å; T231-E235 PolarHBondContact O-N 2.99Å; T231-V371 HydrophobicContact CG2-CG2 4.37Å
232	H	93.6	Very high	90.7	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-54.3	-53.7	176.4	175.2	59.4	0	0	0	112.2	Q228 V229 K230 T234 E235 A236 S369 V371 S372 L375 W380	Q228-H232 PolarHBondContact O-N 3.38Å; V229-H232 WeakPolarHBondContact O-CB 3.25Å; V229-H232 PolarHBondContact O-N 2.86Å; K230-H232 VanDerWaalsContact C-N 3.34Å; K230-H232 PolarHBondContact O-N 3.04Å; H232-T234 VanDerWaalsContact C-N 3.31Å; H232-T234 PolarHBondContact O-N 3.06Å; H232-E235 PolarHBondContact O-N 3.05Å; H232-A236 WeakPolarHBondContact O-CB 3.42Å; H232-A236 PolarHBondContact O-N 3.3Å; H232-S369 PolarHBondContact ND1-OG 3.08Å; H232-V371 HydrophobicContact CB-CG2 3.73Å; H232-S372 PolarHBondContact CE1-OG 2.87Å; H232-S372 PolarHBondContact ND1-OG 3.49Å; H232-L375 HydrophobicContact CB-CD1 3.78Å; H232-W380 AromaticContact CD2-CH2 3.84Å; H232-W380 AromaticContact CD2-CZ3 3.51Å; H232-W380 AromaticContact NE2-CZ3 3.98Å
233	F	93.2	Very high	90.7	Very high	1 Å²	1	59.9 Å²	59.9	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-67.2	-32.3	-177.9	-78.6	-70.1	0	0	0	113	V217 V229 K230 T231 Y237 V242 V335 I346 F350 W380	V217-F233 HydrophobicContact CG2-CE2 4.28Å; V217-F233 HydrophobicContact CG2-CZ 3.93Å; V229-F233 HydrophobicContact CG1-CD2 3.99Å; V229-F233 HydrophobicContact CG1-CE2 3.86Å; V229-F233 VanDerWaalsContact O-CD2 3.28Å; V229-F233 WeakPolarHBondContact O-CD2 3.38Å; V229-F233 PolarHBondContact O-N 3.5Å; K230-F233 PolarHBondContact O-N 3.24Å; T231-F233 PolarHBondContact O-N 3.08Å; F233-Y237 HydrophobicContact CD1-CD2 4.07Å; F233-Y237 HydrophobicContact CD1-CE2 4.18Å; F233-Y237 HydrophobicContact CE1-CE2 4.48Å; F233-Y237 WeakPolarHBondContact O-CB 3.5Å; F233-Y237 PolarHBondContact O-N 2.96Å; F233-Y237 VanDerWaalsContact O-N 3.11Å; F233-V242 HydrophobicContact CB-CG2 3.67Å; F233-V335 HydrophobicContact CD2-CG1 3.94Å; F233-V335 HydrophobicContact CD2-CG2 4.09Å; F233-V335 HydrophobicContact CE2-CB 4.38Å; F233-V335 HydrophobicContact CE2-CG1 4.18Å; F233-V335 HydrophobicContact CE2-CG2 3.67Å; F233-V335 HydrophobicContact CG-CG1 4.3Å; F233-V335 HydrophobicContact CZ-CG2 4.38Å; F233-I346 HydrophobicContact CD1-CD1 4.02Å; F233-I346 HydrophobicContact CD1-CG2 4.33Å; F233-I346 HydrophobicContact CE1-CD1 4.45Å; F233-I346 HydrophobicContact CE1-CG2 3.8Å; F233-F350 HydrophobicContact CE1-CE2 4.48Å; F233-W380 HydrophobicContact CE2-CH2 4.47Å; F233-W380 AromaticContact CE2-CZ3 3.82Å; F233-W380 HydrophobicContact CE2-CZ3 3.82Å; F233-W380 HydrophobicContact CZ-CE3 4.44Å; F233-W380 AromaticContact CZ-CZ3 3.85Å; F233-W380 HydrophobicContact CZ-CZ3 3.85Å
234	T	92.9	Very high	90.7	Very high	70 Å²	70	50.6 Å²	50.6	43%	0.429	29%	0.289	S	S	.	.	H	α-helix	trans	-72.5	-41.5	179.2	-52	0	0	0	0	111.6	K230 T231 H232 P238	K230-T234 WeakPolarHBondContact O-CB 3.34Å; K230-T234 PolarHBondContact O-N 3.33Å; K230-T234 PolarHBondContact O-OG1 3.04Å; T231-T234 PolarHBondContact O-N 3.41Å; H232-T234 VanDerWaalsContact C-N 3.31Å; H232-T234 PolarHBondContact O-N 3.06Å; T234-P238 WeakPolarHBondContact O-CA 3.33Å
235	E	93.6	Very high	90.8	Very high	91 Å²	91	51 Å²	51	43%	0.425	29%	0.291	S	S	.	.	H	α-helix	trans	-76.7	-43.2	179.2	-70.9	-179.9	-178	0	0	112.5	T231 H232 Y237 S369 S370	T231-E235 HydrophobicContact CG2-CG 4.14Å; T231-E235 VanDerWaalsContact CG2-OE1 3.23Å; T231-E235 WeakPolarHBondContact CG2-OE1 3.39Å; T231-E235 WeakPolarHBondContact O-CB 3.41Å; T231-E235 WeakPolarHBondContact O-CG 3.28Å; T231-E235 PolarHBondContact O-N 2.99Å; H232-E235 PolarHBondContact O-N 3.05Å; E235-Y237 VanDerWaalsContact C-N 3.31Å; E235-Y237 PolarHBondContact O-N 3.04Å; E235-S369 WeakPolarHBondContact OE2-CB 3.5Å; E235-S370 VanDerWaalsContact CD-OG 3.25Å; E235-S370 PolarHBondContact OE1-OG 3.25Å; E235-S370 VanDerWaalsContact OE1-OG 3.04Å; E235-S370 VanDerWaalsContact OE2-CB 3.25Å; E235-S370 WeakPolarHBondContact OE2-CB 3.46Å; E235-S370 PolarHBondContact OE2-N 3.33Å; E235-S370 PolarHBondContact OE2-OG 3.24Å
236	A	90.6	Very high	90.8	Very high	7 Å²	7	49.3 Å²	49.3	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-72.2	-27.1	-178.8	0	0	0	0	0	112.4	H232 Q367	H232-A236 WeakPolarHBondContact O-CB 3.42Å; H232-A236 PolarHBondContact O-N 3.3Å; A236-Q367 HydrophobicContact CB-CB 3.86Å; A236-Q367 WeakPolarHBondContact CB-O 3.45Å; A236-Q367 WeakPolarHBondContact O-CB 3.47Å
237	Y	91.8	Very high	90.8	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.008	27%	0.267	C	S	.	.			trans	-134.5	72.8	-178.3	-54.9	-85.1	0	0	0	111.4	F233 E235 S239 C240 H345 I346 D349 F350 Q367	F233-Y237 HydrophobicContact CD1-CD2 4.07Å; F233-Y237 HydrophobicContact CD1-CE2 4.18Å; F233-Y237 HydrophobicContact CE1-CE2 4.48Å; F233-Y237 WeakPolarHBondContact O-CB 3.5Å; F233-Y237 PolarHBondContact O-N 2.96Å; F233-Y237 VanDerWaalsContact O-N 3.11Å; E235-Y237 VanDerWaalsContact C-N 3.31Å; E235-Y237 PolarHBondContact O-N 3.04Å; Y237-S239 PolarHBondContact O-N 2.72Å; Y237-S239 VanDerWaalsContact O-N 3.09Å; Y237-C240 WeakPolarHBondContact O-CB 3.46Å; Y237-C240 PolarHBondContact O-N 3.38Å; Y237-H345 AromaticContact CD1-ND1 3.89Å; Y237-I346 HydrophobicContact CD1-CG1 3.77Å; Y237-I346 HydrophobicContact CD2-CD1 4.1Å; Y237-I346 HydrophobicContact CD2-CG1 3.88Å; Y237-I346 HydrophobicContact CE1-CB 4.41Å; Y237-I346 HydrophobicContact CE1-CG1 3.9Å; Y237-I346 HydrophobicContact CE2-CG1 4.05Å; Y237-I346 HydrophobicContact CE2-CG2 4.07Å; Y237-I346 HydrophobicContact CG-CD1 4.15Å; Y237-I346 HydrophobicContact CG-CG1 3.73Å; Y237-D349 HydrophobicContact CE1-CB 4.23Å; Y237-D349 PolarHBondContact OH-OD2 3.38Å; Y237-F350 HydrophobicContact CE2-CE2 4.38Å; Y237-F350 WeakPolarHBondContact OH-CE2 3.21Å; Y237-Q367 HydrophobicContact CE1-CB 4.3Å; Y237-Q367 HydrophobicContact CE1-CG 3.97Å
238	P	89	Confident	90.7	Very high	116 Å²	116	42.2 Å²	42.2	75%	0.753	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.5	-175.9	24.8	-34.1	0	0	0	113.9	T234 C240	T234-P238 WeakPolarHBondContact O-CA 3.33Å; P238-C240 VanDerWaalsContact C-N 3.3Å
239	S	87.3	Confident	90.7	Very high	85 Å²	85	42.3 Å²	42.3	59%	0.594	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.6	173.6	58.5	0	0	0	0	113.9	Y237	Y237-S239 PolarHBondContact O-N 2.72Å; Y237-S239 VanDerWaalsContact O-N 3.09Å
240	C	87.5	Confident	90.6	Very high	7 Å²	7	45.1 Å²	45.1	5%	0.047	26%	0.26	C	S	.	.	S	Bend	trans	-110.4	117.4	-174.3	-63.9	0	0	0	0	110.7	Y237 P238 L337 M342 I346	Y237-C240 WeakPolarHBondContact O-CB 3.46Å; Y237-C240 PolarHBondContact O-N 3.38Å; P238-C240 VanDerWaalsContact C-N 3.3Å; C240-L337 HydrophobicContact CB-CD2 4.36Å; C240-M342 HydrophobicContact CB-CB 4.01Å; C240-M342 HydrophobicContact CB-CG 4.19Å; C240-M342 HydrophobicContact CB-SD 4.41Å; C240-I346 HydrophobicContact CB-CD1 4.18Å
241	Q	89.3	Confident	90.4	Very high	108 Å²	108	41.2 Å²	41.2	51%	0.505	24%	0.243	S	C	.	.			trans	-84.2	120.5	176.9	-168.3	177	21.4	0	0	111.1	L337 Q338 M342	Q241-L337 WeakPolarHBondContact O-CA 3.33Å; Q241-Q338 HydrophobicContact CB-CB 4.27Å; Q241-Q338 PolarHBondContact O-N 3.02Å; Q241-Q338 VanDerWaalsContact O-N 3.11Å; Q241-M342 PolarHBondContact N-SD 2.6Å; Q241-M342 VanDerWaalsContact N-SD 3.42Å
242	V	90.3	Very high	90.2	Very high	18 Å²	18	40.2 Å²	40.2	11%	0.109	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	116.4	174.2	-174.8	0	0	0	0	109.6	K230 F233 V245 V335 L337	K230-V242 HydrophobicContact CG-CG1 4.32Å; F233-V242 HydrophobicContact CB-CG2 3.67Å; V242-V245 HydrophobicContact CG1-CG2 3.75Å; V242-V335 HydrophobicContact CG1-CG1 4.06Å; V242-L337 HydrophobicContact CG2-CD2 3.97Å
243	C	87.8	Confident	90	Very high	65 Å²	65	44.9 Å²	44.9	44%	0.439	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-43.6	179.2	-63.8	0	0	0	0	112.1	T336 Q338	C243-T336 HydrophobicContact CB-CG2 4.45Å; C243-T336 PolarHBondContact N-O 3.11Å; C243-Q338 VanDerWaalsContact SG-CA 3.56Å; C243-Q338 PolarHBondContact SG-N 2.8Å
244	A	88.3	Confident	89.9	Confident	45 Å²	45	45 Å²	45	37%	0.372	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	146.5	-178.3	0	0	0	0	0	111.4	T336	A244-T336 PolarHBondContact N-O 3.01Å; A244-T336 PolarHBondContact O-N 3.43Å
245	V	90.6	Very high	89.7	Confident	23 Å²	23	44.1 Å²	44.1	14%	0.139	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.6	169.7	178.5	0	0	0	0	107.6	D226 V229 K230 V242 F334 V335	D226-V245 HydrophobicContact CB-CG1 4.4Å; V229-V245 HydrophobicContact CB-CG1 4.08Å; V229-V245 HydrophobicContact CG1-CG1 3.86Å; K230-V245 HydrophobicContact CB-CG2 3.92Å; K230-V245 HydrophobicContact CG-CG2 4.37Å; V242-V245 HydrophobicContact CG1-CG2 3.75Å; V245-F334 CarbonylContact C-O 3.55Å; V245-F334 WeakPolarHBondContact CA-O 3.26Å; V245-V335 HydrophobicContact CG1-CG2 4.43Å; V245-V335 HydrophobicContact CG2-CG1 4.35Å; V245-V335 HydrophobicContact CG2-CG2 4.39Å
246	T	90.2	Very high	89.5	Confident	31 Å²	31	46.1 Å²	46.1	19%	0.19	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.9	176.3	-45.2	0	0	0	0	109.9	A333 F334 Y735 L736	T246-A333 CarbonylContact O-C 3.59Å; T246-A333 VanDerWaalsContact O-CA 3.3Å; T246-A333 WeakPolarHBondContact O-CA 3.42Å; T246-F334 PolarHBondContact N-O 2.85Å; T246-F334 PolarHBondContact O-N 3.23Å; T246-Y735 VanDerWaalsContact CG2-O 3.28Å; T246-Y735 WeakPolarHBondContact CG2-O 3.35Å; T246-L736 HydrophobicContact CG2-CD1 3.7Å
247	L	90.6	Very high	89.5	Confident	21 Å²	21	45.9 Å²	45.9	11%	0.11	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	142.1	174.2	-63.6	-178.5	0	0	0	110.5	D226 V229 Y249 A333	D226-L247 HydrophobicContact CB-CD1 4.23Å; D226-L247 HydrophobicContact CB-CG 4.15Å; V229-L247 HydrophobicContact CG2-CD2 4.41Å; L247-Y249 HydrophobicContact CB-CE2 3.9Å; L247-Y249 VanDerWaalsContact O-CD2 3.27Å; L247-Y249 WeakPolarHBondContact O-CD2 3.47Å; L247-Y249 VanDerWaalsContact O-CE2 3.26Å; L247-Y249 WeakPolarHBondContact O-CE2 3.44Å; L247-A333 HydrophobicContact CD2-CB 3.9Å
248	G	89.1	Confident	89.3	Confident	5 Å²	5	46.7 Å²	46.7	5%	0.052	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.3	175.3	0	0	0	0	0	112.4	L330 V332	G248-L330 WeakPolarHBondContact O-CB 3.48Å; G248-L330 PolarHBondContact O-N 3.47Å; G248-V332 PolarHBondContact N-O 2.59Å
249	Y	89.8	Confident	89.2	Confident	61 Å²	61	47.9 Å²	47.9	24%	0.239	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	160.7	179	-56.9	-84.9	0	0	0	111.7	L247 V251 V325 P329 L330 L740	L247-Y249 HydrophobicContact CB-CE2 3.9Å; L247-Y249 VanDerWaalsContact O-CD2 3.27Å; L247-Y249 WeakPolarHBondContact O-CD2 3.47Å; L247-Y249 VanDerWaalsContact O-CE2 3.26Å; L247-Y249 WeakPolarHBondContact O-CE2 3.44Å; Y249-V251 PolarHBondContact O-N 2.9Å; Y249-V251 VanDerWaalsContact O-N 3.13Å; Y249-V325 HydrophobicContact CD1-CG1 4.43Å; Y249-V325 HydrophobicContact CG-CG1 3.89Å; Y249-P329 HydrophobicContact CD1-CB 4.35Å; Y249-P329 HydrophobicContact CE1-CB 4.36Å; Y249-L330 WeakPolarHBondContact O-CD1 3.31Å; Y249-L740 HydrophobicContact CD2-CD1 4.39Å
250	N	90.1	Very high	89.3	Confident	60 Å²	60	45.6 Å²	45.6	32%	0.321	23%	0.232	S	C	.	.			trans	-74	102.8	172.2	-172.3	-11.1	0	0	0	110.7	A252 K328 L330	N250-A252 PolarHBondContact OD1-N 3.07Å; N250-K328 HydrophobicContact CB-CB 4.24Å; N250-K328 PolarHBondContact N-O 3.29Å; N250-L330 HydrophobicContact CB-CD2 4.1Å
251	V	89.9	Confident	89.5	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.012	23%	0.234	C	C	.	.			trans	-110.1	4.2	-178.6	-65.4	0	0	0	0	114	Y249 K253 L254 M255 V325 W393 P737 V739 L740	Y249-V251 PolarHBondContact O-N 2.9Å; Y249-V251 VanDerWaalsContact O-N 3.13Å; V251-K253 PolarHBondContact O-N 3.31Å; V251-L254 WeakPolarHBondContact O-CB 3.38Å; V251-L254 PolarHBondContact O-N 3.44Å; V251-L254 VanDerWaalsContact O-N 3.08Å; V251-M255 HydrophobicContact CB-CG 4.34Å; V251-M255 HydrophobicContact CG2-CG 4.21Å; V251-M255 HydrophobicContact CG2-SD 3.77Å; V251-M255 WeakPolarHBondContact O-CG 3.36Å; V251-M255 PolarHBondContact O-N 3.37Å; V251-V325 HydrophobicContact CG1-CG1 4.09Å; V251-W393 HydrophobicContact CG2-CB 4.1Å; V251-P737 HydrophobicContact CG1-CG 4.23Å; V251-P737 HydrophobicContact CG2-CB 4.28Å; V251-P737 HydrophobicContact CG2-CG 3.97Å; V251-V739 HydrophobicContact CB-CG2 4.39Å; V251-L740 HydrophobicContact CG1-CD1 3.71Å; V251-L740 HydrophobicContact CG1-CG 4.15Å
252	A	88.8	Confident	89.3	Confident	27 Å²	27	43.8 Å²	43.8	22%	0.223	23%	0.226	C	C	.	.	H	α-helix	trans	-56.9	-49	-170.8	0	0	0	0	0	113.1	N250 L254 M255 Y256 E394	N250-A252 PolarHBondContact OD1-N 3.07Å; A252-L254 PolarHBondContact O-N 2.72Å; A252-M255 PolarHBondContact O-N 3.32Å; A252-Y256 PolarHBondContact O-N 3.31Å; A252-Y256 VanDerWaalsContact O-N 3.11Å; A252-E394 HydrophobicContact CB-CB 4.21Å
253	K	89.1	Confident	89.1	Confident	97 Å²	97	46 Å²	46	42%	0.422	23%	0.232	S	C	.	.	H	α-helix	trans	-66.3	-37.8	177.5	179.3	62.9	178.6	176.9	0	112	V251 Y256 L257 E317	V251-K253 PolarHBondContact O-N 3.31Å; K253-Y256 PolarHBondContact O-N 3.22Å; K253-L257 HydrophobicContact CG-CD1 4.35Å; K253-L257 WeakPolarHBondContact O-CG 3.43Å; K253-L257 PolarHBondContact O-N 3.16Å; K253-E317 IonicContact NZ-OE1 3.63Å; K253-E317 PolarHBondContact NZ-OE1 3.45Å
254	L	90.6	Very high	89.1	Confident	5 Å²	5	43 Å²	43	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-43	179.6	-172.4	66.8	0	0	0	111.4	V251 A252 L257 D258 M318 H321 A322 V325 V739 L740	V251-L254 WeakPolarHBondContact O-CB 3.38Å; V251-L254 PolarHBondContact O-N 3.44Å; V251-L254 VanDerWaalsContact O-N 3.08Å; A252-L254 PolarHBondContact O-N 2.72Å; L254-L257 PolarHBondContact O-N 3.47Å; L254-D258 PolarHBondContact O-N 2.96Å; L254-M318 HydrophobicContact CD1-CB 4.39Å; L254-M318 HydrophobicContact CD1-CG 3.46Å; L254-M318 VanDerWaalsContact CD1-CG 3.46Å; L254-M318 WeakPolarHBondContact CD1-O 3.12Å; L254-M318 HydrophobicContact CG-CG 4.49Å; L254-H321 HydrophobicContact CD1-CB 4.35Å; L254-A322 HydrophobicContact CD1-CB 4.25Å; L254-A322 HydrophobicContact CD2-CB 4.43Å; L254-V325 HydrophobicContact CD2-CG2 3.98Å; L254-V739 HydrophobicContact CB-CG2 4.48Å; L254-V739 HydrophobicContact CD2-CB 3.86Å; L254-V739 HydrophobicContact CD2-CG2 3.65Å; L254-V739 HydrophobicContact CG-CB 3.97Å; L254-V739 HydrophobicContact CG-CG2 3.98Å; L254-L740 HydrophobicContact CD2-CD2 3.91Å
255	M	88.6	Confident	89.1	Confident	51 Å²	51	41.1 Å²	41.1	25%	0.251	20%	0.197	S	C	.	.	H	α-helix	trans	-63.5	-40.1	175	-70.6	-178.4	67.3	0	0	112.6	V251 A252 D258 K259 W393 E394 V739	V251-M255 HydrophobicContact CB-CG 4.34Å; V251-M255 HydrophobicContact CG2-CG 4.21Å; V251-M255 HydrophobicContact CG2-SD 3.77Å; V251-M255 WeakPolarHBondContact O-CG 3.36Å; V251-M255 PolarHBondContact O-N 3.37Å; A252-M255 PolarHBondContact O-N 3.32Å; M255-D258 PolarHBondContact O-N 3.4Å; M255-K259 WeakPolarHBondContact O-CB 3.14Å; M255-K259 PolarHBondContact O-N 3.2Å; M255-W393 HydrophobicContact CE-CB 4.1Å; M255-W393 HydrophobicContact SD-CB 3.51Å; M255-W393 VanDerWaalsContact SD-CB 3.51Å; M255-E394 HydrophobicContact SD-CB 4.43Å; M255-V739 HydrophobicContact CG-CG1 4.21Å; M255-V739 HydrophobicContact CG-CG2 3.95Å
256	Y	90.3	Very high	88.9	Confident	132 Å²	132	42.1 Å²	42.1	52%	0.518	20%	0.203	S	C	.	.	H	α-helix	trans	-60.3	-45.6	174.3	174.1	-94.1	0	0	0	111.9	A252 K253 K259 E260	A252-Y256 PolarHBondContact O-N 3.31Å; A252-Y256 VanDerWaalsContact O-N 3.11Å; K253-Y256 PolarHBondContact O-N 3.22Å; Y256-K259 PolarHBondContact O-N 3.21Å; Y256-E260 HydrophobicContact CE1-CG 4.35Å; Y256-E260 HydrophobicContact CE2-CG 4.47Å; Y256-E260 PolarHBondContact O-N 3.42Å; Y256-E260 VanDerWaalsContact O-N 3.11Å
257	L	90.9	Very high	88.8	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-43.3	178.4	-70.2	172.2	0	0	0	112.2	K253 L254 K259 E260 R261 L314 E317 M318	K253-L257 HydrophobicContact CG-CD1 4.35Å; K253-L257 WeakPolarHBondContact O-CG 3.43Å; K253-L257 PolarHBondContact O-N 3.16Å; L254-L257 PolarHBondContact O-N 3.47Å; L257-K259 VanDerWaalsContact C-N 3.34Å; L257-K259 PolarHBondContact O-N 2.95Å; L257-E260 PolarHBondContact O-N 3Å; L257-R261 WeakPolarHBondContact O-CB 3.48Å; L257-R261 PolarHBondContact O-N 3.39Å; L257-L314 HydrophobicContact CD2-CD2 4.07Å; L257-E317 HydrophobicContact CD1-CB 4.34Å; L257-E317 HydrophobicContact CD1-CG 3.84Å; L257-E317 HydrophobicContact CD2-CG 4.24Å; L257-M318 HydrophobicContact CB-CB 4.48Å
258	D	88.4	Confident	88.7	Confident	18 Å²	18	40.3 Å²	40.3	10%	0.096	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-40.8	176.8	-175.3	55.1	0	0	0	111.7	L254 M255 E260 R261 V262 M318 V739	L254-D258 PolarHBondContact O-N 2.96Å; M255-D258 PolarHBondContact O-N 3.4Å; D258-E260 PolarHBondContact O-N 3.22Å; D258-R261 WeakPolarHBondContact O-CB 3.18Å; D258-R261 PolarHBondContact O-N 3.15Å; D258-R261 IonicContact OD1-CZ 3.84Å; D258-R261 IonicContact OD1-NE 2.92Å; D258-R261 PolarHBondContact OD1-NE 3.33Å; D258-R261 IonicContact OD1-NH2 3.76Å; D258-R261 PolarHBondContact OD1-NH2 2.87Å; D258-V262 WeakPolarHBondContact O-CG2 3.48Å; D258-V262 PolarHBondContact O-N 3.47Å; D258-M318 HydrophobicContact CB-SD 4.02Å; D258-V739 HydrophobicContact CB-CG1 3.54Å
259	K	86.9	Confident	88.7	Confident	141 Å²	141	45.2 Å²	45.2	61%	0.613	21%	0.214	S	C	*	.	H	α-helix	trans	-60.2	-45.7	175.9	-173.5	176	-176.4	172.6	0	112.2	M255 Y256 L257 R261 R263	M255-K259 WeakPolarHBondContact O-CB 3.14Å; M255-K259 PolarHBondContact O-N 3.2Å; Y256-K259 PolarHBondContact O-N 3.21Å; L257-K259 VanDerWaalsContact C-N 3.34Å; L257-K259 PolarHBondContact O-N 2.95Å; K259-R261 VanDerWaalsContact C-N 3.34Å; K259-R263 WeakPolarHBondContact O-CB 3.27Å; K259-R263 PolarHBondContact O-N 3.35Å
260	E	88.8	Confident	88.6	Confident	38 Å²	38	44.8 Å²	44.8	18%	0.178	21%	0.213	C	C	.	.	H	α-helix	trans	-68.3	-33.5	176.6	-80.1	-67.4	111.5	0	0	112.3	Y256 L257 D258 R263 A264 K310 L314	Y256-E260 HydrophobicContact CE1-CG 4.35Å; Y256-E260 HydrophobicContact CE2-CG 4.47Å; Y256-E260 PolarHBondContact O-N 3.42Å; Y256-E260 VanDerWaalsContact O-N 3.11Å; L257-E260 PolarHBondContact O-N 3Å; D258-E260 PolarHBondContact O-N 3.22Å; E260-R263 IonicContact OE1-NH1 2.69Å; E260-R263 PolarHBondContact OE1-NH1 3.48Å; E260-A264 WeakPolarHBondContact O-CB 3.43Å; E260-A264 PolarHBondContact O-N 3.4Å; E260-K310 IonicContact OE2-NZ 2.72Å; E260-K310 PolarHBondContact OE2-NZ 2.84Å; E260-L314 HydrophobicContact CB-CD1 4.07Å; E260-L314 HydrophobicContact CB-CD2 4.37Å
261	R	90.4	Very high	88.5	Confident	21 Å²	21	42.2 Å²	42.2	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-51.9	175.7	-176.1	-164.7	67.1	120.2	-11.5	111.3	L257 D258 K259 R263 A264 G265 E311 L314 A746	L257-R261 WeakPolarHBondContact O-CB 3.48Å; L257-R261 PolarHBondContact O-N 3.39Å; D258-R261 WeakPolarHBondContact O-CB 3.18Å; D258-R261 PolarHBondContact O-N 3.15Å; D258-R261 IonicContact OD1-CZ 3.84Å; D258-R261 IonicContact OD1-NE 2.92Å; D258-R261 PolarHBondContact OD1-NE 3.33Å; D258-R261 IonicContact OD1-NH2 3.76Å; D258-R261 PolarHBondContact OD1-NH2 2.87Å; K259-R261 VanDerWaalsContact C-N 3.34Å; R261-R263 PolarHBondContact O-N 3.44Å; R261-A264 WeakPolarHBondContact O-CA 3.26Å; R261-A264 WeakPolarHBondContact O-CB 3.37Å; R261-A264 PolarHBondContact O-N 3.33Å; R261-G265 PolarHBondContact O-N 3.48Å; R261-E311 HydrophobicContact CG-CG 4.07Å; R261-L314 HydrophobicContact CB-CB 4.07Å; R261-L314 HydrophobicContact CB-CD1 4.44Å; R261-L314 HydrophobicContact CG-CB 4.38Å; R261-A746 PolarHBondContact NH1-O 2.58Å; R261-A746 VanDerWaalsContact NH2-CB 3.27Å; R261-A746 PolarHBondContact NH2-O 3Å; R261-A746 VanDerWaalsContact NH2-O 3.16Å
262	V	85.6	Confident	88.5	Confident	55 Å²	55	44.9 Å²	44.9	33%	0.333	21%	0.211	S	C	.	.	H	α-helix	trans	-57.8	-40.8	177.2	171.1	0	0	0	0	110.3	D258 A264 G265 T266	D258-V262 WeakPolarHBondContact O-CG2 3.48Å; D258-V262 PolarHBondContact O-N 3.47Å; V262-A264 PolarHBondContact O-N 3.29Å; V262-G265 PolarHBondContact O-N 3.11Å; V262-T266 WeakPolarHBondContact O-CB 3.49Å; V262-T266 PolarHBondContact O-N 3.18Å; V262-T266 PolarHBondContact O-OG1 2.91Å
263	R	85.9	Confident	88.5	Confident	65 Å²	65	49 Å²	49	25%	0.245	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-43.7	174	-176.3	-179.1	177.4	-172.6	0.1	112.4	K259 E260 R261 N267 E579 Y582	K259-R263 WeakPolarHBondContact O-CB 3.27Å; K259-R263 PolarHBondContact O-N 3.35Å; E260-R263 IonicContact OE1-NH1 2.69Å; E260-R263 PolarHBondContact OE1-NH1 3.48Å; R261-R263 PolarHBondContact O-N 3.44Å; R263-N267 PolarHBondContact O-N 3.48Å; R263-N267 VanDerWaalsContact O-N 3.12Å; R263-N267 PolarHBondContact O-ND2 2.73Å; R263-E579 IonicContact NH2-OE1 3.99Å; R263-E579 IonicContact NH2-OE2 3.3Å; R263-Y582 HydrophobicContact CB-CE2 4.44Å; R263-Y582 HydrophobicContact CG-CD2 4.45Å; R263-Y582 HydrophobicContact CG-CE1 4.44Å; R263-Y582 HydrophobicContact CG-CE2 4.23Å
264	A	88.6	Confident	88.4	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-64.8	-44.7	176.6	0	0	0	0	0	112	E260 R261 V262 N267 L268 Y307 K310 E311 L314	E260-A264 WeakPolarHBondContact O-CB 3.43Å; E260-A264 PolarHBondContact O-N 3.4Å; R261-A264 WeakPolarHBondContact O-CA 3.26Å; R261-A264 WeakPolarHBondContact O-CB 3.37Å; R261-A264 PolarHBondContact O-N 3.33Å; V262-A264 PolarHBondContact O-N 3.29Å; A264-N267 WeakPolarHBondContact O-CB 3.24Å; A264-N267 PolarHBondContact O-N 3.2Å; A264-L268 PolarHBondContact O-N 3.45Å; A264-Y307 HydrophobicContact CB-CD1 4.39Å; A264-K310 HydrophobicContact CB-CD 4.34Å; A264-K310 HydrophobicContact CB-CG 4.36Å; A264-E311 HydrophobicContact CB-CB 4.36Å; A264-L314 HydrophobicContact CB-CD1 4.36Å
265	G	89	Confident	88.4	Confident	7 Å²	7	47.6 Å²	47.6	7%	0.072	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-42.2	177.8	0	0	0	0	0	112.9	R261 V262 N267 L268 Q269	R261-G265 PolarHBondContact O-N 3.48Å; V262-G265 PolarHBondContact O-N 3.11Å; G265-N267 VanDerWaalsContact C-N 3.3Å; G265-N267 PolarHBondContact O-N 3.38Å; G265-L268 WeakPolarHBondContact O-CB 3.19Å; G265-L268 PolarHBondContact O-N 2.82Å; G265-Q269 WeakPolarHBondContact O-CG 3.38Å; G265-Q269 PolarHBondContact O-N 3.46Å
266	T	85.6	Confident	88.5	Confident	43 Å²	43	51.4 Å²	51.4	26%	0.264	24%	0.239	S	C	.	.	H	α-helix	trans	-62	-38.9	173.9	-61.2	0	0	0	0	111.8	V262 Y270 Y582	V262-T266 WeakPolarHBondContact O-CB 3.49Å; V262-T266 PolarHBondContact O-N 3.18Å; V262-T266 PolarHBondContact O-OG1 2.91Å; T266-Y270 PolarHBondContact O-N 3.35Å; T266-Y270 VanDerWaalsContact O-N 3.16Å; T266-Y582 HydrophobicContact CG2-CD2 4.44Å
267	N	87.8	Confident	88.5	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-67.6	-40	174.6	-70.1	-18.7	0	0	0	111.8	R263 A264 G265 Y270 Y271 Y307 A578	R263-N267 PolarHBondContact O-N 3.48Å; R263-N267 VanDerWaalsContact O-N 3.12Å; R263-N267 PolarHBondContact O-ND2 2.73Å; A264-N267 WeakPolarHBondContact O-CB 3.24Å; A264-N267 PolarHBondContact O-N 3.2Å; G265-N267 VanDerWaalsContact C-N 3.3Å; G265-N267 PolarHBondContact O-N 3.38Å; N267-Y270 WeakPolarHBondContact O-CB 3.48Å; N267-Y270 PolarHBondContact O-N 2.94Å; N267-Y271 WeakPolarHBondContact O-CD2 3.34Å; N267-Y271 PolarHBondContact O-N 2.97Å; N267-Y307 HydrophobicContact CB-CD1 3.86Å; N267-Y307 HydrophobicContact CB-CD2 4.07Å; N267-Y307 HydrophobicContact CB-CE1 3.75Å; N267-Y307 HydrophobicContact CB-CE2 3.99Å; N267-Y307 HydrophobicContact CB-CG 4.03Å; N267-Y307 VanDerWaalsContact ND2-CE1 3.34Å; N267-Y307 WeakPolarHBondContact ND2-CE1 3.45Å; N267-A578 HydrophobicContact CB-CB 3.89Å; N267-A578 WeakPolarHBondContact OD1-CB 3.4Å
268	L	89.6	Confident	88.3	Confident	12 Å²	12	57.7 Å²	57.7	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-58.9	-52.4	175.3	179.1	63	0	0	0	111	A264 G265 Y270 Y271 E272 I304 R308 E311	A264-L268 PolarHBondContact O-N 3.45Å; G265-L268 WeakPolarHBondContact O-CB 3.19Å; G265-L268 PolarHBondContact O-N 2.82Å; L268-Y270 PolarHBondContact O-N 3.33Å; L268-Y270 VanDerWaalsContact O-N 3.13Å; L268-Y271 PolarHBondContact O-N 3.44Å; L268-E272 HydrophobicContact CD1-CG 4.28Å; L268-E272 HydrophobicContact CG-CG 4.41Å; L268-E272 WeakPolarHBondContact O-CG 3.33Å; L268-E272 PolarHBondContact O-N 3.2Å; L268-I304 HydrophobicContact CD1-CB 4.33Å; L268-I304 HydrophobicContact CD1-CG2 3.78Å; L268-I304 WeakPolarHBondContact CD1-O 3.23Å; L268-R308 HydrophobicContact CD1-CB 4.11Å; L268-R308 HydrophobicContact CD2-CB 4.19Å; L268-E311 WeakPolarHBondContact CD2-OE2 3.46Å
269	Q	88.4	Confident	88.2	Confident	108 Å²	108	59.7 Å²	59.7	51%	0.505	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-26.4	177.1	-71.8	179.2	1.3	0	0	113.3	G265 R273	G265-Q269 WeakPolarHBondContact O-CG 3.38Å; G265-Q269 PolarHBondContact O-N 3.46Å; Q269-R273 WeakPolarHBondContact O-CB 3.28Å; Q269-R273 WeakPolarHBondContact O-CG 3.38Å; Q269-R273 PolarHBondContact O-N 2.95Å; Q269-R273 PolarHBondContact O-NE 3.36Å
270	Y	86.8	Confident	88.2	Confident	52 Å²	52	57.3 Å²	57.3	20%	0.204	30%	0.298	C	S	.	.	H	α-helix	trans	-70.8	-46.4	174.6	171.6	-90.3	0	0	0	111.4	T266 N267 L268 R273 I274 A577 A578 K581	T266-Y270 PolarHBondContact O-N 3.35Å; T266-Y270 VanDerWaalsContact O-N 3.16Å; N267-Y270 WeakPolarHBondContact O-CB 3.48Å; N267-Y270 PolarHBondContact O-N 2.94Å; L268-Y270 PolarHBondContact O-N 3.33Å; L268-Y270 VanDerWaalsContact O-N 3.13Å; Y270-R273 PolarHBondContact O-N 3.33Å; Y270-I274 HydrophobicContact CD1-CD1 3.87Å; Y270-I274 HydrophobicContact CE1-CD1 3.23Å; Y270-I274 HydrophobicContact CE1-CG1 4.34Å; Y270-I274 HydrophobicContact CE2-CD1 4.33Å; Y270-I274 WeakPolarHBondContact O-CG1 3.05Å; Y270-I274 PolarHBondContact O-N 2.99Å; Y270-I274 VanDerWaalsContact O-N 3.13Å; Y270-A577 HydrophobicContact CE1-CB 4.11Å; Y270-A578 HydrophobicContact CD1-CB 3.4Å; Y270-A578 HydrophobicContact CE1-CB 3.97Å; Y270-A578 HydrophobicContact CG-CB 3.84Å; Y270-K581 HydrophobicContact CD2-CD 3.63Å; Y270-K581 HydrophobicContact CE2-CB 4.44Å; Y270-K581 HydrophobicContact CE2-CD 3.56Å
271	Y	89.1	Confident	88.1	Confident	5 Å²	5	62.8 Å²	62.8	2%	0.02	32%	0.317	C	S	.	.	H	α-helix	trans	-73.3	-33.8	179.6	-69.3	-68.2	0	0	0	112.8	N267 L268 R273 I274 L275 E282 I284 A303 Y307 S576 A577 A578	N267-Y271 WeakPolarHBondContact O-CD2 3.34Å; N267-Y271 PolarHBondContact O-N 2.97Å; L268-Y271 PolarHBondContact O-N 3.44Å; Y271-R273 VanDerWaalsContact C-N 3.35Å; Y271-I274 HydrophobicContact CD1-CD1 4.32Å; Y271-I274 PolarHBondContact O-N 2.76Å; Y271-I274 VanDerWaalsContact O-N 3.15Å; Y271-L275 PolarHBondContact O-N 3.45Å; Y271-E282 HydrophobicContact CD1-CB 4.17Å; Y271-E282 HydrophobicContact CE1-CB 4.32Å; Y271-E282 VanDerWaalsContact CE1-OE2 3.26Å; Y271-E282 WeakPolarHBondContact CE1-OE2 3.46Å; Y271-I284 HydrophobicContact CE1-CG2 4.28Å; Y271-A303 HydrophobicContact CD1-CB 3.83Å; Y271-A303 HydrophobicContact CD2-CB 3.77Å; Y271-A303 HydrophobicContact CE1-CB 4.05Å; Y271-A303 HydrophobicContact CE2-CB 4.03Å; Y271-A303 HydrophobicContact CG-CB 3.7Å; Y271-Y307 AromaticContact CD2-CD2 3.82Å; Y271-Y307 HydrophobicContact CD2-CD2 3.82Å; Y271-Y307 AromaticContact CD2-CE2 3.93Å; Y271-Y307 HydrophobicContact CD2-CE2 3.93Å; Y271-Y307 AromaticContact CE2-CD2 3.8Å; Y271-Y307 HydrophobicContact CE2-CD2 3.8Å; Y271-Y307 AromaticContact CE2-CE2 3.4Å; Y271-Y307 HydrophobicContact CE2-CE2 3.4Å; Y271-S576 WeakPolarHBondContact OH-CB 3.24Å; Y271-S576 PolarHBondContact OH-OG 3.19Å; Y271-A577 PolarHBondContact OH-N 3.15Å; Y271-A578 HydrophobicContact CD2-CB 4.21Å; Y271-A578 HydrophobicContact CE2-CB 3.39Å; Y271-A578 PolarHBondContact OH-N 3.38Å
272	E	90	Very high	87.8	Confident	58 Å²	58	65.5 Å²	65.5	27%	0.271	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-45.6	171.2	-71.4	176.7	158.3	0	0	110.6	L268 I274 L275 D276 I304 R308	L268-E272 HydrophobicContact CD1-CG 4.28Å; L268-E272 HydrophobicContact CG-CG 4.41Å; L268-E272 WeakPolarHBondContact O-CG 3.33Å; L268-E272 PolarHBondContact O-N 3.2Å; E272-I274 VanDerWaalsContact C-N 3.26Å; E272-I274 PolarHBondContact O-N 3.36Å; E272-L275 WeakPolarHBondContact O-CB 3.13Å; E272-L275 PolarHBondContact O-N 3.35Å; E272-L275 VanDerWaalsContact O-N 3.12Å; E272-D276 VanDerWaalsContact O-CG 3.25Å; E272-D276 PolarHBondContact O-N 2.98Å; E272-I304 HydrophobicContact CG-CD1 4.41Å; E272-I304 HydrophobicContact CG-CG2 4.38Å; E272-R308 IonicContact OE1-CZ 3.07Å; E272-R308 IonicContact OE1-NH2 3.71Å; E272-R308 PolarHBondContact OE1-NH2 2.96Å
273	R	88.3	Confident	87.8	Confident	115 Å²	115	68.2 Å²	68.2	43%	0.434	34%	0.342	S	S	.	.	H	α-helix	trans	-62.5	-28	173.6	-82	-178.3	-78.7	177	-14.5	114.3	Q269 Y270 Y271 K277	Q269-R273 WeakPolarHBondContact O-CB 3.28Å; Q269-R273 WeakPolarHBondContact O-CG 3.38Å; Q269-R273 PolarHBondContact O-N 2.95Å; Q269-R273 PolarHBondContact O-NE 3.36Å; Y270-R273 PolarHBondContact O-N 3.33Å; Y271-R273 VanDerWaalsContact C-N 3.35Å; R273-K277 VanDerWaalsContact O-CG 3.25Å; R273-K277 WeakPolarHBondContact O-CG 3.41Å; R273-K277 PolarHBondContact O-N 3.05Å
274	I	87.1	Confident	87.7	Confident	25 Å²	25	65.7 Å²	65.7	13%	0.128	33%	0.334	C	S	.	.	H	α-helix	trans	-72.8	-46.9	173.4	-72.3	173.9	0	0	0	109.5	Y270 Y271 E272 D276 K277 T278 E282	Y270-I274 HydrophobicContact CD1-CD1 3.87Å; Y270-I274 HydrophobicContact CE1-CD1 3.23Å; Y270-I274 HydrophobicContact CE1-CG1 4.34Å; Y270-I274 HydrophobicContact CE2-CD1 4.33Å; Y270-I274 WeakPolarHBondContact O-CG1 3.05Å; Y270-I274 PolarHBondContact O-N 2.99Å; Y270-I274 VanDerWaalsContact O-N 3.13Å; Y271-I274 HydrophobicContact CD1-CD1 4.32Å; Y271-I274 PolarHBondContact O-N 2.76Å; Y271-I274 VanDerWaalsContact O-N 3.15Å; E272-I274 VanDerWaalsContact C-N 3.26Å; E272-I274 PolarHBondContact O-N 3.36Å; I274-D276 VanDerWaalsContact C-N 3.28Å; I274-D276 PolarHBondContact O-N 2.77Å; I274-K277 PolarHBondContact O-N 3.37Å; I274-T278 HydrophobicContact CG2-CG2 4.39Å; I274-T278 PolarHBondContact O-N 3Å; I274-T278 PolarHBondContact O-OG1 3.09Å; I274-E282 HydrophobicContact CG2-CG 4.22Å
275	L	90.8	Very high	87.3	Confident	47 Å²	47	66.5 Å²	66.5	25%	0.246	34%	0.338	C	S	.	.	H	α-helix	trans	-56.3	-44	177.2	179.6	62.9	0	0	0	111.4	Y271 E272 K277 G279 R281 I304	Y271-L275 PolarHBondContact O-N 3.45Å; E272-L275 WeakPolarHBondContact O-CB 3.13Å; E272-L275 PolarHBondContact O-N 3.35Å; E272-L275 VanDerWaalsContact O-N 3.12Å; L275-K277 PolarHBondContact O-N 3.14Å; L275-G279 WeakPolarHBondContact O-CA 3.46Å; L275-G279 PolarHBondContact O-N 3.22Å; L275-R281 HydrophobicContact CD1-CG 3.77Å; L275-R281 HydrophobicContact CD2-CG 4.46Å; L275-I304 HydrophobicContact CB-CD1 4.1Å; L275-I304 HydrophobicContact CD2-CD1 3.67Å; L275-I304 HydrophobicContact CG-CD1 4.48Å
276	D	90.8	Very high	86.6	Confident	131 Å²	131	68.1 Å²	68.1	70%	0.701	35%	0.348	S	S	*	.	H	α-helix	trans	-63.2	-31.4	177.8	-64.1	-23.2	0	0	0	112.7	E272 I274	E272-D276 VanDerWaalsContact O-CG 3.25Å; E272-D276 PolarHBondContact O-N 2.98Å; I274-D276 VanDerWaalsContact C-N 3.28Å; I274-D276 PolarHBondContact O-N 2.77Å
277	K	89	Confident	86.1	Confident	180 Å²	180	74 Å²	74	78%	0.783	37%	0.365	S	S	*	.	H	α-helix	trans	-87.8	-38.2	-177.3	-75.2	-178.4	179.1	-163.4	0	113.9	R273 I274 L275	R273-K277 VanDerWaalsContact O-CG 3.25Å; R273-K277 WeakPolarHBondContact O-CG 3.41Å; R273-K277 PolarHBondContact O-N 3.05Å; I274-K277 PolarHBondContact O-N 3.37Å; L275-K277 PolarHBondContact O-N 3.14Å
278	T	87.8	Confident	85	Confident	86 Å²	86	77.8 Å²	77.8	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-110.6	-15.6	-171.7	64.9	0	0	0	0	113	I274 V280	I274-T278 HydrophobicContact CG2-CG2 4.39Å; I274-T278 PolarHBondContact O-N 3Å; I274-T278 PolarHBondContact O-OG1 3.09Å; T278-V280 PolarHBondContact O-N 3.42Å; T278-V280 PolarHBondContact OG1-N 3.32Å
279	G	86.7	Confident	83.7	Confident	61 Å²	61	79 Å²	79	63%	0.629	40%	0.397	S	S	*	.	S	Bend	trans	70.3	1.6	-172.1	0	0	0	0	0	114.2	L275	L275-G279 WeakPolarHBondContact O-CA 3.46Å; L275-G279 PolarHBondContact O-N 3.22Å
280	V	85.8	Confident	82.4	Confident	90 Å²	90	74.1 Å²	74.1	55%	0.545	38%	0.376	S	S	.	.			trans	-106.4	132.8	-174.3	-179.1	0	0	0	0	110.7	T278	T278-V280 PolarHBondContact O-N 3.42Å; T278-V280 PolarHBondContact OG1-N 3.32Å
281	R	86.7	Confident	81.2	Confident	153 Å²	153	77.1 Å²	77.1	58%	0.577	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-81.7	119.1	170.5	-66.1	-164.9	179.7	-166	3.8	110.6	L275 D302	L275-R281 HydrophobicContact CD1-CG 3.77Å; L275-R281 HydrophobicContact CD2-CG 4.46Å; R281-D302 WeakPolarHBondContact CD-OD2 3.32Å; R281-D302 IonicContact CZ-OD2 3.93Å; R281-D302 IonicContact NE-OD2 3.32Å; R281-D302 IonicContact NH1-OD2 3.06Å; R281-D302 PolarHBondContact NH1-OD2 3.01Å
282	E	84.3	Confident	79.8	Confident	79 Å²	79	84.4 Å²	84.4	37%	0.369	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-78.9	138.6	176.5	-71.1	-164.6	167.4	0	0	112	Y271 I274 A303	Y271-E282 HydrophobicContact CD1-CB 4.17Å; Y271-E282 HydrophobicContact CE1-CB 4.32Å; Y271-E282 VanDerWaalsContact CE1-OE2 3.26Å; Y271-E282 WeakPolarHBondContact CE1-OE2 3.46Å; I274-E282 HydrophobicContact CG2-CG 4.22Å; E282-A303 WeakPolarHBondContact O-CB 3.3Å; E282-A303 PolarHBondContact O-N 3.37Å; E282-A303 VanDerWaalsContact O-N 3.11Å
283	L	85.7	Confident	78.1	Confident	111 Å²	111	84 Å²	84	58%	0.581	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	133.7	173.7	-64.9	170.2	0	0	0	109.9	K300 V301	L283-K300 HydrophobicContact CB-CB 4.14Å; L283-K300 HydrophobicContact CD1-CB 4.46Å; L283-V301 CarbonylContact C-O 3.55Å; L283-V301 WeakPolarHBondContact CA-O 3.26Å
284	I	84.6	Confident	76.6	Confident	12 Å²	12	84.1 Å²	84.1	6%	0.062	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	154.1	178.3	59.9	171.4	0	0	0	111.5	Y271 V301 A303 Y306 Y307	Y271-I284 HydrophobicContact CE1-CG2 4.28Å; I284-V301 HydrophobicContact CG1-CG2 3.99Å; I284-V301 PolarHBondContact N-O 2.87Å; I284-V301 PolarHBondContact O-N 3.24Å; I284-A303 HydrophobicContact CB-CB 4.37Å; I284-A303 HydrophobicContact CD1-CB 3.98Å; I284-A303 HydrophobicContact CG1-CB 3.94Å; I284-A303 HydrophobicContact CG2-CB 3.67Å; I284-Y306 HydrophobicContact CD1-CD1 3.72Å; I284-Y306 HydrophobicContact CD1-CE1 4.4Å; I284-Y306 HydrophobicContact CD1-CG 4.15Å; I284-Y307 HydrophobicContact CD1-CD2 4.17Å; I284-Y307 HydrophobicContact CD1-CE2 3.59Å
285	T	80.4	Confident	75.2	Confident	18 Å²	18	87 Å²	87	11%	0.11	47%	0.465	C	S	.	.			trans	-98.7	119.5	169.6	-50.2	0	0	0	0	108.6	R287 C298	T285-R287 HydrophobicContact CG2-CB 4.28Å; T285-R287 HydrophobicContact CG2-CG 4.47Å; T285-R287 PolarHBondContact O-N 3.19Å; T285-R287 VanDerWaalsContact O-N 3.13Å; T285-C298 HydrophobicContact CG2-CB 3.87Å
286	P	73.7	Confident	73.6	Confident	41 Å²	41	91.3 Å²	91.3	27%	0.266	50%	0.499	S	S	.	.			trans	-73.9	-3.1	-173.5	27.4	-32.9	0	0	0	114.5	V301 Y306	P286-V301 HydrophobicContact CG-CG2 4.39Å; P286-Y306 HydrophobicContact CB-CE2 4Å
287	R	73.9	Confident	72.1	Confident	167 Å²	167	88.5 Å²	88.5	63%	0.63	50%	0.501	S	S	*	.	S	Bend	trans	-80.5	154	-179.8	-62.5	-172.7	-179.4	-167.9	1.3	112.4	T285 G290	T285-R287 HydrophobicContact CG2-CB 4.28Å; T285-R287 HydrophobicContact CG2-CG 4.47Å; T285-R287 PolarHBondContact O-N 3.19Å; T285-R287 VanDerWaalsContact O-N 3.13Å; R287-G290 PolarHBondContact O-N 2.99Å
288	V	65.1	Low	71.1	Confident	82 Å²	82	80.8 Å²	80.8	50%	0.497	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	140.1	171.5	-173.9	0	0	0	0	109.3	G290 L573	V288-G290 PolarHBondContact O-N 3.23Å; V288-L573 HydrophobicContact CG1-CD2 4.13Å
289	C	63.6	Low	70.7	Confident	37 Å²	37	83.9 Å²	83.9	25%	0.25	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	27.1	-172.7	-60.7	0	0	0	0	114.7	H291 F292 C293	C289-H291 PolarHBondContact O-N 3.31Å; C289-F292 PolarHBondContact O-N 3.47Å; C289-C293 PolarHBondContact O-N 3.35Å
290	G	60.2	Low	70.3	Confident	7 Å²	7	87.8 Å²	87.8	7%	0.072	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-19	-175.5	0	0	0	0	0	116	R287 V288	R287-G290 PolarHBondContact O-N 2.99Å; V288-G290 PolarHBondContact O-N 3.23Å
291	H	62.5	Low	70.4	Confident	114 Å²	114	85.2 Å²	85.2	53%	0.528	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-32.1	174.7	-178.8	78.3	0	0	0	114.7	C289 C293 R580	C289-H291 PolarHBondContact O-N 3.31Å; H291-C293 VanDerWaalsContact C-N 3.32Å; H291-R580 PolarHBondContact CD2-NH1 2.97Å; H291-R580 PolarHBondContact CD2-NH2 3.04Å; H291-R580 PolarHBondContact CE1-NH2 3.19Å; H291-R580 PolarHBondContact ND1-NH2 3.07Å; H291-R580 PolarHBondContact NE2-NH1 3.44Å; H291-R580 PolarHBondContact NE2-NH2 2.88Å
292	F	59.1	Low	70.5	Confident	158 Å²	158	79.1 Å²	79.1	69%	0.693	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.7	176.4	-106.3	-84.3	0	0	0	111.9	C289 C294	C289-F292 PolarHBondContact O-N 3.47Å; F292-C294 PolarHBondContact O-N 3.05Å; F292-C294 VanDerWaalsContact O-N 3.08Å
293	C	54.7	Low	70.7	Confident	49 Å²	49	75.4 Å²	75.4	33%	0.331	43%	0.425	S	S	.	.			trans	-79.9	87.3	174	-159.5	0	0	0	0	109.9	C289 H291 C295 C298	C289-C293 PolarHBondContact O-N 3.35Å; H291-C293 VanDerWaalsContact C-N 3.32Å; C293-C295 PolarHBondContact O-N 3.11Å; C293-C298 PolarHBondContact SG-SG 2.94Å
294	C	55.6	Low	70.9	Confident	119 Å²	119	70.7 Å²	70.7	80%	0.804	40%	0.4	S	S	*	.			trans	-78.1	14	170.6	-66.1	0	0	0	0	113.1	F292 S296	F292-C294 PolarHBondContact O-N 3.05Å; F292-C294 VanDerWaalsContact O-N 3.08Å; C294-S296 PolarHBondContact O-N 2.91Å
295	C	58.3	Low	71.3	Confident	84 Å²	84	76.7 Å²	76.7	57%	0.568	43%	0.427	S	S	*	.			trans	-73.5	124.9	-176.3	-60.1	0	0	0	0	110.7	C293 G297 C298	C293-C295 PolarHBondContact O-N 3.11Å; C295-G297 PolarHBondContact O-N 2.95Å; C295-C298 PolarHBondContact O-N 3.17Å; C295-C298 VanDerWaalsContact O-N 3.15Å
296	S	56.3	Low	71.8	Confident	138 Å²	138	79 Å²	79	97%	0.965	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-8.3	-178.7	-34.2	0	0	0	0	115.3	C294	C294-S296 PolarHBondContact O-N 2.91Å
297	G	59.9	Low	72.6	Confident	72 Å²	72	77.2 Å²	77.2	74%	0.742	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	11.8	178.8	0	0	0	0	0	115.2	C295	C295-G297 PolarHBondContact O-N 2.95Å
298	C	68.5	Low	73.6	Confident	19 Å²	19	75.9 Å²	75.9	13%	0.128	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-82.5	119.2	175.1	-74	0	0	0	0	111.3	T285 C293 C295 K300	T285-C298 HydrophobicContact CG2-CB 3.87Å; C293-C298 PolarHBondContact SG-SG 2.94Å; C295-C298 PolarHBondContact O-N 3.17Å; C295-C298 VanDerWaalsContact O-N 3.15Å; C298-K300 PolarHBondContact O-N 2.93Å
299	E	78.3	Confident	75	Confident	150 Å²	150	77.4 Å²	77.4	70%	0.701	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-60.4	120.3	172.4	-170.7	179.9	-179.4	0	0	109.9	V301	E299-V301 HydrophobicContact CG-CG1 4.35Å
300	K	79.8	Confident	76.3	Confident	143 Å²	143	77.6 Å²	77.6	62%	0.622	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-101	126.4	177.6	-69.7	-174.7	-176.3	178.5	0	108.2	L283 C298	L283-K300 HydrophobicContact CB-CB 4.14Å; L283-K300 HydrophobicContact CD1-CB 4.46Å; C298-K300 PolarHBondContact O-N 2.93Å
301	V	86.4	Confident	77.9	Confident	37 Å²	37	79.7 Å²	79.7	22%	0.224	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	151.5	-179.3	-61.5	0	0	0	0	110.2	L283 I284 P286 E299 A303 Y306	L283-V301 CarbonylContact C-O 3.55Å; L283-V301 WeakPolarHBondContact CA-O 3.26Å; I284-V301 HydrophobicContact CG1-CG2 3.99Å; I284-V301 PolarHBondContact N-O 2.87Å; I284-V301 PolarHBondContact O-N 3.24Å; P286-V301 HydrophobicContact CG-CG2 4.39Å; E299-V301 HydrophobicContact CG-CG1 4.35Å; V301-A303 PolarHBondContact O-N 3.44Å; V301-Y306 HydrophobicContact CG2-CD2 4.12Å; V301-Y306 HydrophobicContact CG2-CG 4.25Å
302	D	89.9	Confident	79.4	Confident	25 Å²	25	80.5 Å²	80.5	13%	0.134	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	124.4	173.2	-176.6	-35.7	0	0	0	109.5	R281 I304 E305 Y306	R281-D302 WeakPolarHBondContact CD-OD2 3.32Å; R281-D302 IonicContact CZ-OD2 3.93Å; R281-D302 IonicContact NE-OD2 3.32Å; R281-D302 IonicContact NH1-OD2 3.06Å; R281-D302 PolarHBondContact NH1-OD2 3.01Å; D302-I304 VanDerWaalsContact C-N 3.35Å; D302-I304 PolarHBondContact O-N 2.75Å; D302-I304 WeakPolarHBondContact OD1-CB 3.49Å; D302-I304 PolarHBondContact OD1-N 3.42Å; D302-E305 HydrophobicContact CB-CB 4.05Å; D302-E305 PolarHBondContact OD1-N 3.4Å; D302-Y306 VanDerWaalsContact O-CB 3.23Å; D302-Y306 WeakPolarHBondContact O-CB 3.43Å; D302-Y306 PolarHBondContact O-N 3.25Å
303	A	87.9	Confident	81	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.008	42%	0.415	C	S	.	.	H	α-helix	trans	-63.6	-40.2	-176.4	0	0	0	0	0	112.7	Y271 E282 I284 V301 Y307	Y271-A303 HydrophobicContact CD1-CB 3.83Å; Y271-A303 HydrophobicContact CD2-CB 3.77Å; Y271-A303 HydrophobicContact CE1-CB 4.05Å; Y271-A303 HydrophobicContact CE2-CB 4.03Å; Y271-A303 HydrophobicContact CG-CB 3.7Å; E282-A303 WeakPolarHBondContact O-CB 3.3Å; E282-A303 PolarHBondContact O-N 3.37Å; E282-A303 VanDerWaalsContact O-N 3.11Å; I284-A303 HydrophobicContact CB-CB 4.37Å; I284-A303 HydrophobicContact CD1-CB 3.98Å; I284-A303 HydrophobicContact CG1-CB 3.94Å; I284-A303 HydrophobicContact CG2-CB 3.67Å; V301-A303 PolarHBondContact O-N 3.44Å; A303-Y307 WeakPolarHBondContact O-CD2 3.33Å; A303-Y307 PolarHBondContact O-N 3.43Å
304	I	90.7	Very high	82.9	Confident	11 Å²	11	75.9 Å²	75.9	6%	0.056	40%	0.404	C	S	.	.	H	α-helix	trans	-69	-47.8	-177.2	-63.7	175.7	0	0	0	108.8	L268 E272 L275 D302 Y306 Y307 R308	L268-I304 HydrophobicContact CD1-CB 4.33Å; L268-I304 HydrophobicContact CD1-CG2 3.78Å; L268-I304 WeakPolarHBondContact CD1-O 3.23Å; E272-I304 HydrophobicContact CG-CD1 4.41Å; E272-I304 HydrophobicContact CG-CG2 4.38Å; L275-I304 HydrophobicContact CB-CD1 4.1Å; L275-I304 HydrophobicContact CD2-CD1 3.67Å; L275-I304 HydrophobicContact CG-CD1 4.48Å; D302-I304 VanDerWaalsContact C-N 3.35Å; D302-I304 PolarHBondContact O-N 2.75Å; D302-I304 WeakPolarHBondContact OD1-CB 3.49Å; D302-I304 PolarHBondContact OD1-N 3.42Å; I304-Y306 PolarHBondContact O-N 3.24Å; I304-Y307 PolarHBondContact O-N 3.07Å; I304-R308 WeakPolarHBondContact O-CB 3.46Å; I304-R308 PolarHBondContact O-N 3.43Å
305	E	92.2	Very high	84.6	Confident	138 Å²	138	72.2 Å²	72.2	65%	0.645	38%	0.376	S	S	*	.	H	α-helix	trans	-62.3	-44.4	178.5	-171.7	170.4	-168.8	0	0	111.6	D302 R308 H309	D302-E305 HydrophobicContact CB-CB 4.05Å; D302-E305 PolarHBondContact OD1-N 3.4Å; E305-R308 PolarHBondContact O-N 3.39Å; E305-H309 VanDerWaalsContact O-CB 3.28Å; E305-H309 WeakPolarHBondContact O-CB 3.24Å; E305-H309 PolarHBondContact O-N 3.44Å
306	Y	91.1	Very high	86.2	Confident	68 Å²	68	72.2 Å²	72.2	27%	0.267	37%	0.368	S	S	.	.	H	α-helix	trans	-59.8	-52.6	177.6	177	-95.4	0	0	0	112.5	I284 P286 V301 D302 I304 H309 K310	I284-Y306 HydrophobicContact CD1-CD1 3.72Å; I284-Y306 HydrophobicContact CD1-CE1 4.4Å; I284-Y306 HydrophobicContact CD1-CG 4.15Å; P286-Y306 HydrophobicContact CB-CE2 4Å; V301-Y306 HydrophobicContact CG2-CD2 4.12Å; V301-Y306 HydrophobicContact CG2-CG 4.25Å; D302-Y306 VanDerWaalsContact O-CB 3.23Å; D302-Y306 WeakPolarHBondContact O-CB 3.43Å; D302-Y306 PolarHBondContact O-N 3.25Å; I304-Y306 PolarHBondContact O-N 3.24Å; Y306-H309 PolarHBondContact O-N 2.7Å; Y306-K310 HydrophobicContact CE1-CD 4.33Å; Y306-K310 WeakPolarHBondContact O-CB 3.33Å; Y306-K310 PolarHBondContact O-N 3.49Å
307	Y	91.1	Very high	87.9	Confident	3 Å²	3	68.7 Å²	68.7	1%	0.012	34%	0.336	C	S	.	.	H	α-helix	trans	-70.7	-33.7	-177.9	-76.4	-64.9	0	0	0	112.2	A264 N267 Y271 I284 A303 I304 K310 E311 S576 E579	A264-Y307 HydrophobicContact CB-CD1 4.39Å; N267-Y307 HydrophobicContact CB-CD1 3.86Å; N267-Y307 HydrophobicContact CB-CD2 4.07Å; N267-Y307 HydrophobicContact CB-CE1 3.75Å; N267-Y307 HydrophobicContact CB-CE2 3.99Å; N267-Y307 HydrophobicContact CB-CG 4.03Å; N267-Y307 VanDerWaalsContact ND2-CE1 3.34Å; N267-Y307 WeakPolarHBondContact ND2-CE1 3.45Å; Y271-Y307 AromaticContact CD2-CD2 3.82Å; Y271-Y307 HydrophobicContact CD2-CD2 3.82Å; Y271-Y307 AromaticContact CD2-CE2 3.93Å; Y271-Y307 HydrophobicContact CD2-CE2 3.93Å; Y271-Y307 AromaticContact CE2-CD2 3.8Å; Y271-Y307 HydrophobicContact CE2-CD2 3.8Å; Y271-Y307 AromaticContact CE2-CE2 3.4Å; Y271-Y307 HydrophobicContact CE2-CE2 3.4Å; I284-Y307 HydrophobicContact CD1-CD2 4.17Å; I284-Y307 HydrophobicContact CD1-CE2 3.59Å; A303-Y307 WeakPolarHBondContact O-CD2 3.33Å; A303-Y307 PolarHBondContact O-N 3.43Å; I304-Y307 PolarHBondContact O-N 3.07Å; Y307-K310 PolarHBondContact O-N 3.06Å; Y307-E311 WeakPolarHBondContact O-CB 2.99Å; Y307-E311 PolarHBondContact O-N 3.49Å; Y307-S576 PolarHBondContact OH-OG 3.37Å; Y307-E579 PolarHBondContact OH-OE1 2.9Å
308	R	93.9	Very high	89.4	Confident	138 Å²	138	66.3 Å²	66.3	52%	0.521	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-45.5	173.9	-175	176.7	-70	173.4	-1.9	111.7	L268 E272 I304 E305 E311 K312	L268-R308 HydrophobicContact CD1-CB 4.11Å; L268-R308 HydrophobicContact CD2-CB 4.19Å; E272-R308 IonicContact OE1-CZ 3.07Å; E272-R308 IonicContact OE1-NH2 3.71Å; E272-R308 PolarHBondContact OE1-NH2 2.96Å; I304-R308 WeakPolarHBondContact O-CB 3.46Å; I304-R308 PolarHBondContact O-N 3.43Å; E305-R308 PolarHBondContact O-N 3.39Å; R308-E311 PolarHBondContact O-N 3.28Å; R308-K312 WeakPolarHBondContact O-CB 3.09Å; R308-K312 PolarHBondContact O-N 3.07Å; R308-K312 VanDerWaalsContact O-N 3.07Å
309	H	94.3	Very high	90.4	Very high	114 Å²	114	71.7 Å²	71.7	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-44.8	174.6	179.4	-103.9	0	0	0	111.4	E305 Y306 E311 K312 L313	E305-H309 VanDerWaalsContact O-CB 3.28Å; E305-H309 WeakPolarHBondContact O-CB 3.24Å; E305-H309 PolarHBondContact O-N 3.44Å; Y306-H309 PolarHBondContact O-N 2.7Å; H309-E311 PolarHBondContact O-N 3.11Å; H309-K312 PolarHBondContact O-N 3.36Å; H309-L313 WeakPolarHBondContact CE1-CD1 3.1Å; H309-L313 WeakPolarHBondContact O-CG 3.49Å; H309-L313 PolarHBondContact O-N 2.94Å
310	K	91.9	Very high	90.9	Very high	41 Å²	41	72 Å²	72	18%	0.178	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-44.6	177.7	-173.9	178	177.9	-172	0	112.2	E260 A264 Y306 Y307 L313 L314	E260-K310 IonicContact OE2-NZ 2.72Å; E260-K310 PolarHBondContact OE2-NZ 2.84Å; A264-K310 HydrophobicContact CB-CD 4.34Å; A264-K310 HydrophobicContact CB-CG 4.36Å; Y306-K310 HydrophobicContact CE1-CD 4.33Å; Y306-K310 WeakPolarHBondContact O-CB 3.33Å; Y306-K310 PolarHBondContact O-N 3.49Å; Y307-K310 PolarHBondContact O-N 3.06Å; K310-L313 PolarHBondContact O-N 3.24Å; K310-L314 HydrophobicContact CG-CD1 3.95Å; K310-L314 WeakPolarHBondContact O-CB 3.36Å; K310-L314 VanDerWaalsContact O-CG 3.25Å; K310-L314 WeakPolarHBondContact O-CG 3.35Å; K310-L314 PolarHBondContact O-N 2.9Å
311	E	92.8	Very high	91.3	Very high	52 Å²	52	67.5 Å²	67.5	24%	0.243	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-44.4	177.8	-176.3	178	-162	0	0	111.6	R261 A264 L268 Y307 R308 H309 L314 L315	R261-E311 HydrophobicContact CG-CG 4.07Å; A264-E311 HydrophobicContact CB-CB 4.36Å; L268-E311 WeakPolarHBondContact CD2-OE2 3.46Å; Y307-E311 WeakPolarHBondContact O-CB 2.99Å; Y307-E311 PolarHBondContact O-N 3.49Å; R308-E311 PolarHBondContact O-N 3.28Å; H309-E311 PolarHBondContact O-N 3.11Å; E311-L314 PolarHBondContact O-N 3.49Å; E311-L315 WeakPolarHBondContact O-CB 3.45Å; E311-L315 PolarHBondContact O-N 3.43Å
312	K	93.8	Very high	91.4	Very high	131 Å²	131	67.5 Å²	67.5	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-60.1	-48.2	177.5	-174	-179.8	176	-175.4	0	112	R308 H309 L314 L315 E316	R308-K312 WeakPolarHBondContact O-CB 3.09Å; R308-K312 PolarHBondContact O-N 3.07Å; R308-K312 VanDerWaalsContact O-N 3.07Å; H309-K312 PolarHBondContact O-N 3.36Å; K312-L314 PolarHBondContact O-N 3.06Å; K312-L315 PolarHBondContact O-N 3.38Å; K312-E316 WeakPolarHBondContact CE-OE1 3.25Å; K312-E316 WeakPolarHBondContact O-CG 3.05Å; K312-E316 PolarHBondContact O-N 3.44Å
313	L	94.8	Very high	91.3	Very high	89 Å²	89	73.6 Å²	73.6	47%	0.466	33%	0.331	S	S	.	.	H	α-helix	trans	-59.1	-45.6	177	-74.4	179.4	0	0	0	112.1	H309 K310 L315 E316 E317	H309-L313 WeakPolarHBondContact CE1-CD1 3.1Å; H309-L313 WeakPolarHBondContact O-CG 3.49Å; H309-L313 PolarHBondContact O-N 2.94Å; K310-L313 PolarHBondContact O-N 3.24Å; L313-L315 VanDerWaalsContact C-N 3.32Å; L313-L315 PolarHBondContact O-N 3.03Å; L313-E316 PolarHBondContact O-N 3.48Å; L313-E317 PolarHBondContact O-N 3.43Å
314	L	93.4	Very high	91.2	Very high	21 Å²	21	76.6 Å²	76.6	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-37.3	178.8	-72	169.4	0	0	0	111.8	L257 E260 R261 A264 K310 E311 K312 E317 M318	L257-L314 HydrophobicContact CD2-CD2 4.07Å; E260-L314 HydrophobicContact CB-CD1 4.07Å; E260-L314 HydrophobicContact CB-CD2 4.37Å; R261-L314 HydrophobicContact CB-CB 4.07Å; R261-L314 HydrophobicContact CB-CD1 4.44Å; R261-L314 HydrophobicContact CG-CB 4.38Å; A264-L314 HydrophobicContact CB-CD1 4.36Å; K310-L314 HydrophobicContact CG-CD1 3.95Å; K310-L314 WeakPolarHBondContact O-CB 3.36Å; K310-L314 VanDerWaalsContact O-CG 3.25Å; K310-L314 WeakPolarHBondContact O-CG 3.35Å; K310-L314 PolarHBondContact O-N 2.9Å; E311-L314 PolarHBondContact O-N 3.49Å; K312-L314 PolarHBondContact O-N 3.06Å; L314-E317 PolarHBondContact O-N 2.89Å; L314-M318 WeakPolarHBondContact O-CB 3.19Å; L314-M318 PolarHBondContact O-N 3.42Å
315	L	91.8	Very high	91	Very high	41 Å²	41	76.4 Å²	76.4	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-41.6	176.3	-175.8	67.2	0	0	0	111.9	E311 K312 L313 M318 R319	E311-L315 WeakPolarHBondContact O-CB 3.45Å; E311-L315 PolarHBondContact O-N 3.43Å; K312-L315 PolarHBondContact O-N 3.38Å; L313-L315 VanDerWaalsContact C-N 3.32Å; L313-L315 PolarHBondContact O-N 3.03Å; L315-M318 HydrophobicContact CD1-CE 3.74Å; L315-M318 PolarHBondContact O-N 3.24Å; L315-R319 WeakPolarHBondContact O-CG 3.26Å; L315-R319 PolarHBondContact O-N 3.43Å
316	E	92.3	Very high	90.6	Very high	85 Å²	85	73.7 Å²	73.7	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-64.5	-44.1	175.7	-72.5	174.3	-167.5	0	0	111.8	K312 L313 M318 R319 R320	K312-E316 WeakPolarHBondContact CE-OE1 3.25Å; K312-E316 WeakPolarHBondContact O-CG 3.05Å; K312-E316 PolarHBondContact O-N 3.44Å; L313-E316 PolarHBondContact O-N 3.48Å; E316-M318 VanDerWaalsContact C-N 3.34Å; E316-R319 PolarHBondContact O-N 3.48Å; E316-R320 PolarHBondContact O-N 3.3Å; E316-R320 VanDerWaalsContact O-N 3.14Å
317	E	92.1	Very high	90.3	Very high	63 Å²	63	80.6 Å²	80.6	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-40.1	175.6	-165.3	-177.3	163.4	0	0	111.5	K253 L257 L313 L314 R320 H321	K253-E317 IonicContact NZ-OE1 3.63Å; K253-E317 PolarHBondContact NZ-OE1 3.45Å; L257-E317 HydrophobicContact CD1-CB 4.34Å; L257-E317 HydrophobicContact CD1-CG 3.84Å; L257-E317 HydrophobicContact CD2-CG 4.24Å; L313-E317 PolarHBondContact O-N 3.43Å; L314-E317 PolarHBondContact O-N 2.89Å; E317-R320 PolarHBondContact O-N 3.24Å; E317-H321 PolarHBondContact O-CD2 2.9Å; E317-H321 PolarHBondContact O-N 3.23Å
318	M	90.1	Very high	90	Very high	23 Å²	23	85.4 Å²	85.4	11%	0.113	39%	0.386	C	S	.	.	H	α-helix	trans	-63.4	-45.2	177.2	-170.3	-173.4	81.1	0	0	111.8	L254 L257 D258 L314 L315 E316 H321 A322	L254-M318 HydrophobicContact CD1-CB 4.39Å; L254-M318 HydrophobicContact CD1-CG 3.46Å; L254-M318 VanDerWaalsContact CD1-CG 3.46Å; L254-M318 WeakPolarHBondContact CD1-O 3.12Å; L254-M318 HydrophobicContact CG-CG 4.49Å; L257-M318 HydrophobicContact CB-CB 4.48Å; D258-M318 HydrophobicContact CB-SD 4.02Å; L314-M318 WeakPolarHBondContact O-CB 3.19Å; L314-M318 PolarHBondContact O-N 3.42Å; L315-M318 HydrophobicContact CD1-CE 3.74Å; L315-M318 PolarHBondContact O-N 3.24Å; E316-M318 VanDerWaalsContact C-N 3.34Å; M318-H321 PolarHBondContact O-N 3.04Å; M318-A322 WeakPolarHBondContact O-CB 3.26Å; M318-A322 PolarHBondContact O-N 3.02Å
319	R	89.3	Confident	89.8	Confident	131 Å²	131	80.4 Å²	80.4	49%	0.494	37%	0.371	S	S	.	.	H	α-helix	trans	-60.4	-46.2	176.8	-75.8	177.5	-178.5	159	0.4	111.7	L315 E316 H321 A322 E323	L315-R319 WeakPolarHBondContact O-CG 3.26Å; L315-R319 PolarHBondContact O-N 3.43Å; E316-R319 PolarHBondContact O-N 3.48Å; R319-H321 VanDerWaalsContact C-N 3.34Å; R319-H321 PolarHBondContact O-N 2.84Å; R319-A322 WeakPolarHBondContact O-CB 3.39Å; R319-A322 PolarHBondContact O-N 3.31Å; R319-E323 PolarHBondContact O-N 2.89Å
320	R	89.7	Confident	89.6	Confident	158 Å²	158	77 Å²	77	60%	0.596	36%	0.356	S	S	*	.	H	α-helix	trans	-58.2	-46.1	177.5	-169.2	-172.5	-55.3	162.3	5.2	111.8	E316 E317	E316-R320 PolarHBondContact O-N 3.3Å; E316-R320 VanDerWaalsContact O-N 3.14Å; E317-R320 PolarHBondContact O-N 3.24Å
321	H	88.7	Confident	89.4	Confident	47 Å²	47	75.5 Å²	75.5	22%	0.218	35%	0.352	C	S	.	.	H	α-helix	trans	-72	-30.7	178.4	-79.8	-57.5	0	0	0	113.4	L254 E317 M318 R319 E323 E324 V325	L254-H321 HydrophobicContact CD1-CB 4.35Å; E317-H321 PolarHBondContact O-CD2 2.9Å; E317-H321 PolarHBondContact O-N 3.23Å; M318-H321 PolarHBondContact O-N 3.04Å; R319-H321 VanDerWaalsContact C-N 3.34Å; R319-H321 PolarHBondContact O-N 2.84Å; H321-E323 VanDerWaalsContact C-N 3.27Å; H321-E323 PolarHBondContact O-N 3.02Å; H321-E324 IonicContact CE1-OE2 2.82Å; H321-E324 IonicContact ND1-OE2 3.5Å; H321-E324 PolarHBondContact ND1-OE2 3.41Å; H321-E324 WeakPolarHBondContact O-CB 3.27Å; H321-E324 PolarHBondContact O-N 3.4Å; H321-V325 WeakPolarHBondContact O-CG2 3.35Å; H321-V325 PolarHBondContact O-N 3.29Å
322	A	88	Confident	89.4	Confident	38 Å²	38	73.2 Å²	73.2	31%	0.314	34%	0.342	S	S	.	.	H	α-helix	trans	-60.1	-37.7	176.1	0	0	0	0	0	111.9	L254 M318 R319 E324 V325 P326	L254-A322 HydrophobicContact CD1-CB 4.25Å; L254-A322 HydrophobicContact CD2-CB 4.43Å; M318-A322 WeakPolarHBondContact O-CB 3.26Å; M318-A322 PolarHBondContact O-N 3.02Å; R319-A322 WeakPolarHBondContact O-CB 3.39Å; R319-A322 PolarHBondContact O-N 3.31Å; A322-E324 VanDerWaalsContact C-N 3.27Å; A322-E324 PolarHBondContact O-N 2.88Å; A322-V325 PolarHBondContact O-N 3.14Å; A322-P326 WeakPolarHBondContact O-CD 3.44Å
323	E	87.2	Confident	89.3	Confident	152 Å²	152	67 Å²	67	71%	0.71	32%	0.315	S	S	*	.	H	α-helix	trans	-66.4	-27.1	174.5	-66.5	174.8	-172.6	0	0	113.1	R319 H321	R319-E323 PolarHBondContact O-N 2.89Å; H321-E323 VanDerWaalsContact C-N 3.27Å; H321-E323 PolarHBondContact O-N 3.02Å
324	E	87	Confident	89.2	Confident	64 Å²	64	62.8 Å²	62.8	30%	0.299	29%	0.293	S	S	.	.	H	α-helix	trans	-81.2	-22.2	177.4	-64.5	-179.8	179.5	0	0	113.6	H321 A322 R327 K328	H321-E324 IonicContact CE1-OE2 2.82Å; H321-E324 IonicContact ND1-OE2 3.5Å; H321-E324 PolarHBondContact ND1-OE2 3.41Å; H321-E324 WeakPolarHBondContact O-CB 3.27Å; H321-E324 PolarHBondContact O-N 3.4Å; A322-E324 VanDerWaalsContact C-N 3.27Å; A322-E324 PolarHBondContact O-N 2.88Å; E324-R327 WeakPolarHBondContact O-CB 3.31Å; E324-R327 PolarHBondContact O-N 3.46Å; E324-R327 VanDerWaalsContact O-N 3.07Å; E324-K328 IonicContact OE2-NZ 3.96Å; E324-K328 PolarHBondContact OE2-NZ 3.07Å
325	V	86	Confident	89.2	Confident	8 Å²	8	61.8 Å²	61.8	5%	0.048	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-56.7	-46.9	-173.5	172.9	0	0	0	0	112.9	Y249 V251 L254 H321 A322 R327 K328 L740	Y249-V325 HydrophobicContact CD1-CG1 4.43Å; Y249-V325 HydrophobicContact CG-CG1 3.89Å; V251-V325 HydrophobicContact CG1-CG1 4.09Å; L254-V325 HydrophobicContact CD2-CG2 3.98Å; H321-V325 WeakPolarHBondContact O-CG2 3.35Å; H321-V325 PolarHBondContact O-N 3.29Å; A322-V325 PolarHBondContact O-N 3.14Å; V325-R327 PolarHBondContact O-N 3.19Å; V325-R327 VanDerWaalsContact O-N 3.08Å; V325-K328 PolarHBondContact O-N 3.33Å; V325-L740 HydrophobicContact CG1-CD1 4.35Å; V325-L740 HydrophobicContact CG1-CD2 4.17Å
326	P	84.3	Confident	89.1	Confident	81 Å²	81	60.3 Å²	60.3	53%	0.526	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-59.5	-23.8	179.1	-25.2	35.6	0	0	0	113.8	A322 K328	A322-P326 WeakPolarHBondContact O-CD 3.44Å; P326-K328 VanDerWaalsContact C-N 3.26Å; P326-K328 PolarHBondContact O-N 3.28Å
327	R	84	Confident	89	Confident	212 Å²	212	56.2 Å²	56.2	80%	0.8	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-76.5	-10.8	178.3	-58.7	-178.4	172.6	173.8	-1.5	113.2	E324 V325 P329	E324-R327 WeakPolarHBondContact O-CB 3.31Å; E324-R327 PolarHBondContact O-N 3.46Å; E324-R327 VanDerWaalsContact O-N 3.07Å; V325-R327 PolarHBondContact O-N 3.19Å; V325-R327 VanDerWaalsContact O-N 3.08Å; R327-P329 VanDerWaalsContact O-CD 3.3Å; R327-P329 WeakPolarHBondContact O-CD 3.26Å
328	K	85.4	Confident	88.7	Confident	105 Å²	105	56.9 Å²	56.9	46%	0.457	26%	0.264	S	S	.	.	S	Bend	trans	-120.5	63	-176.2	-62.9	175.3	-174.7	161.8	0	112.2	N250 E324 V325 P326	N250-K328 HydrophobicContact CB-CB 4.24Å; N250-K328 PolarHBondContact N-O 3.29Å; E324-K328 IonicContact OE2-NZ 3.96Å; E324-K328 PolarHBondContact OE2-NZ 3.07Å; V325-K328 PolarHBondContact O-N 3.33Å; P326-K328 VanDerWaalsContact C-N 3.26Å; P326-K328 PolarHBondContact O-N 3.28Å
329	P	89.3	Confident	88.4	Confident	32 Å²	32	58.9 Å²	58.9	21%	0.208	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	143.1	178	29.3	-33.6	0	0	0	112.2	K222 Y249 R327	K222-P329 HydrophobicContact CB-CG 4.04Å; K222-P329 WeakPolarHBondContact O-CG 3.46Å; Y249-P329 HydrophobicContact CD1-CB 4.35Å; Y249-P329 HydrophobicContact CE1-CB 4.36Å; R327-P329 VanDerWaalsContact O-CD 3.3Å; R327-P329 WeakPolarHBondContact O-CD 3.26Å
330	L	88.8	Confident	88.1	Confident	42 Å²	42	54.1 Å²	54.1	22%	0.22	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-12.7	-176.9	-62.4	178.3	0	0	0	113.7	G248 Y249 N250 V332 L396	G248-L330 WeakPolarHBondContact O-CB 3.48Å; G248-L330 PolarHBondContact O-N 3.47Å; Y249-L330 WeakPolarHBondContact O-CD1 3.31Å; N250-L330 HydrophobicContact CB-CD2 4.1Å; L330-V332 HydrophobicContact CB-CG1 4.25Å; L330-V332 HydrophobicContact CB-CG2 4.11Å; L330-L396 HydrophobicContact CD1-CB 4.23Å; L330-L396 HydrophobicContact CD1-CD2 4.08Å; L330-L396 HydrophobicContact CD1-CG 3.98Å
331	G	89.2	Confident	87.8	Confident	10 Å²	10	50 Å²	50	10%	0.103	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.2	37.5	-174.6	0	0	0	0	0	113.1	S219 I220	S219-G331 PolarHBondContact N-O 3.23Å; S219-G331 VanDerWaalsContact N-O 3.15Å; I220-G331 PolarHBondContact N-O 2.97Å; I220-G331 WeakPolarHBondContact O-CA 3.36Å
332	V	91.4	Very high	87.8	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.2	-178	-47.4	0	0	0	0	109	F216 V217 G248 L330 L396	F216-V332 HydrophobicContact CE2-CB 4.18Å; V217-V332 CarbonylContact O-C 3.59Å; V217-V332 VanDerWaalsContact O-CA 3.29Å; V217-V332 WeakPolarHBondContact O-CA 3.39Å; G248-V332 PolarHBondContact N-O 2.59Å; L330-V332 HydrophobicContact CB-CG1 4.25Å; L330-V332 HydrophobicContact CB-CG2 4.11Å; V332-L396 HydrophobicContact CG2-CD2 4.13Å
333	A	92.6	Very high	87.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.1	174.6	0	0	0	0	0	111.7	V217 I220 T246 L247 V335	V217-A333 PolarHBondContact N-O 2.93Å; V217-A333 PolarHBondContact O-N 3.01Å; I220-A333 HydrophobicContact CD1-CB 3.32Å; T246-A333 CarbonylContact O-C 3.59Å; T246-A333 VanDerWaalsContact O-CA 3.3Å; T246-A333 WeakPolarHBondContact O-CA 3.42Å; L247-A333 HydrophobicContact CD2-CB 3.9Å; A333-V335 HydrophobicContact CB-CG2 4.44Å
334	F	92.8	Very high	87.6	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.7	165.8	-62.2	-87.4	0	0	0	107.8	T214 L215 F216 V245 T246 A385 W393 Y735	T214-F334 HydrophobicContact CG2-CB 4.16Å; L215-F334 CarbonylContact O-C 3.59Å; L215-F334 WeakPolarHBondContact O-CA 3.36Å; F216-F334 AromaticContact CD2-CD1 3.88Å; F216-F334 HydrophobicContact CD2-CD1 3.88Å; F216-F334 AromaticContact CD2-CE1 3.43Å; F216-F334 HydrophobicContact CD2-CE1 3.43Å; F216-F334 VanDerWaalsContact CD2-CE1 3.43Å; F216-F334 HydrophobicContact CD2-CE2 4.3Å; F216-F334 HydrophobicContact CD2-CG 4.5Å; F216-F334 AromaticContact CD2-CZ 3.67Å; F216-F334 HydrophobicContact CD2-CZ 3.67Å; F216-F334 AromaticContact CE2-CE1 3.91Å; F216-F334 HydrophobicContact CE2-CE1 3.91Å; F216-F334 HydrophobicContact CE2-CE2 4.19Å; F216-F334 AromaticContact CE2-CZ 3.65Å; F216-F334 HydrophobicContact CE2-CZ 3.65Å; F216-F334 HydrophobicContact CG-CE1 4.27Å; V245-F334 CarbonylContact C-O 3.55Å; V245-F334 WeakPolarHBondContact CA-O 3.26Å; T246-F334 PolarHBondContact N-O 2.85Å; T246-F334 PolarHBondContact O-N 3.23Å; F334-A385 HydrophobicContact CD1-CB 3.98Å; F334-A385 HydrophobicContact CE1-CB 4.31Å; F334-W393 HydrophobicContact CD2-CH2 4.29Å; F334-W393 HydrophobicContact CD2-CZ3 4.34Å; F334-W393 AromaticContact CE2-CH2 3.77Å; F334-W393 HydrophobicContact CE2-CH2 3.77Å; F334-W393 AromaticContact CE2-CZ3 3.57Å; F334-W393 HydrophobicContact CE2-CZ3 3.57Å; F334-W393 HydrophobicContact CZ-CH2 4.04Å; F334-W393 HydrophobicContact CZ-CZ3 4.05Å; F334-Y735 HydrophobicContact CB-CD1 4.26Å; F334-Y735 HydrophobicContact CB-CG 4.07Å; F334-Y735 AromaticContact CD1-CD1 3.33Å; F334-Y735 HydrophobicContact CD1-CD1 3.33Å; F334-Y735 AromaticContact CD1-CE1 3.79Å; F334-Y735 HydrophobicContact CD1-CE1 3.79Å; F334-Y735 AromaticContact CD1-CG 4Å; F334-Y735 HydrophobicContact CD1-CG 4Å; F334-Y735 HydrophobicContact CD2-CD1 4.49Å; F334-Y735 AromaticContact CE1-CD1 3.68Å; F334-Y735 HydrophobicContact CE1-CD1 3.68Å; F334-Y735 AromaticContact CE1-CE1 3.98Å; F334-Y735 HydrophobicContact CE1-CE1 3.98Å; F334-Y735 AromaticContact CG-CD1 3.78Å; F334-Y735 HydrophobicContact CG-CD1 3.78Å; F334-Y735 HydrophobicContact CG-CG 4.07Å; F334-Y735 HydrophobicContact CZ-CD1 4.41Å
335	V	92.4	Very high	87.6	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	106.7	-177.4	-179.4	0	0	0	0	107.8	T214 L215 V217 V229 F233 V242 V245 A333	T214-V335 CarbonylContact C-O 3.59Å; T214-V335 WeakPolarHBondContact CA-O 3.49Å; L215-V335 HydrophobicContact CB-CB 4.46Å; L215-V335 PolarHBondContact N-O 3.49Å; L215-V335 PolarHBondContact O-N 2.98Å; V217-V335 HydrophobicContact CG2-CG2 4.06Å; V229-V335 HydrophobicContact CG1-CG2 4.2Å; F233-V335 HydrophobicContact CD2-CG1 3.94Å; F233-V335 HydrophobicContact CD2-CG2 4.09Å; F233-V335 HydrophobicContact CE2-CB 4.38Å; F233-V335 HydrophobicContact CE2-CG1 4.18Å; F233-V335 HydrophobicContact CE2-CG2 3.67Å; F233-V335 HydrophobicContact CG-CG1 4.3Å; F233-V335 HydrophobicContact CZ-CG2 4.38Å; V242-V335 HydrophobicContact CG1-CG1 4.06Å; V245-V335 HydrophobicContact CG1-CG2 4.43Å; V245-V335 HydrophobicContact CG2-CG1 4.35Å; V245-V335 HydrophobicContact CG2-CG2 4.39Å; A333-V335 HydrophobicContact CB-CG2 4.44Å
336	T	90.8	Very high	87.7	Confident	10 Å²	10	44.6 Å²	44.6	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.1	179.7	-59.2	0	0	0	0	109.5	T214 C243 A244	T214-T336 WeakPolarHBondContact CG2-OG1 3.23Å; T214-T336 PolarHBondContact OG1-OG1 3.36Å; C243-T336 HydrophobicContact CB-CG2 4.45Å; C243-T336 PolarHBondContact N-O 3.11Å; A244-T336 PolarHBondContact N-O 3.01Å; A244-T336 PolarHBondContact O-N 3.43Å
337	L	89.8	Confident	87.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	165.7	177.3	-61.6	157.6	0	0	0	109.6	N213 L215 C240 Q241 V242 M342 A343 I346	N213-L337 WeakPolarHBondContact CB-O 3.47Å; N213-L337 PolarHBondContact ND2-O 2.96Å; N213-L337 WeakPolarHBondContact O-CB 3.44Å; N213-L337 PolarHBondContact O-N 3.15Å; L215-L337 HydrophobicContact CD1-CD1 3.89Å; L215-L337 HydrophobicContact CG-CD1 4.22Å; C240-L337 HydrophobicContact CB-CD2 4.36Å; Q241-L337 WeakPolarHBondContact O-CA 3.33Å; V242-L337 HydrophobicContact CG2-CD2 3.97Å; L337-M342 HydrophobicContact CB-CB 4.28Å; L337-M342 HydrophobicContact CD1-CB 4.3Å; L337-A343 HydrophobicContact CD1-CB 3.67Å; L337-I346 HydrophobicContact CD1-CD1 3.75Å; L337-I346 HydrophobicContact CD2-CD1 4.06Å
338	Q	85.9	Confident	87.6	Confident	76 Å²	76	39.2 Å²	39.2	36%	0.355	20%	0.2	S	C	.	.	S	Bend	trans	-64.8	-47.6	178.6	-171.2	-178.6	32.8	0	0	111.7	Q241 C243 M342	Q241-Q338 HydrophobicContact CB-CB 4.27Å; Q241-Q338 PolarHBondContact O-N 3.02Å; Q241-Q338 VanDerWaalsContact O-N 3.11Å; C243-Q338 VanDerWaalsContact SG-CA 3.56Å; C243-Q338 PolarHBondContact SG-N 2.8Å; Q338-M342 HydrophobicContact CB-CE 4.43Å; Q338-M342 HydrophobicContact CB-SD 4.02Å
339	N	84.5	Confident	87.6	Confident	65 Å²	65	35.9 Å²	35.9	35%	0.348	19%	0.188	S	C	.	.			trans	-126.3	150.7	-172.7	-65.2	-34.7	0	0	0	111.8	A341 M342 A343	N339-A341 VanDerWaalsContact C-N 3.26Å; N339-A341 PolarHBondContact O-N 2.87Å; N339-M342 HydrophobicContact CB-CG 4.34Å; N339-M342 HydrophobicContact CB-SD 4.29Å; N339-M342 WeakPolarHBondContact O-CB 3.33Å; N339-M342 PolarHBondContact O-N 3.14Å; N339-A343 PolarHBondContact O-N 3.15Å
340	E	83	Confident	87.2	Confident	32 Å²	32	35 Å²	35	15%	0.15	18%	0.18	C	C	.	.	H	α-helix	trans	-57.9	-38.4	173.1	165.3	179.2	177.6	0	0	112.6	R212 M342 A343 K344	R212-E340 HydrophobicContact CB-CB 3.88Å; R212-E340 VanDerWaalsContact CB-CD 3.47Å; R212-E340 HydrophobicContact CB-CG 3.59Å; R212-E340 WeakPolarHBondContact CD-OE1 3.08Å; R212-E340 WeakPolarHBondContact CD-OE2 3.05Å; R212-E340 IonicContact CZ-OE1 3.11Å; R212-E340 IonicContact CZ-OE2 3.45Å; R212-E340 IonicContact NE-OE1 3.91Å; R212-E340 IonicContact NE-OE2 3.2Å; R212-E340 IonicContact NH1-OE1 3.88Å; R212-E340 PolarHBondContact NH1-OE1 3.34Å; R212-E340 IonicContact NH1-OE2 2.71Å; R212-E340 PolarHBondContact NH1-OE2 3.47Å; E340-M342 PolarHBondContact O-N 2.76Å; E340-A343 WeakPolarHBondContact O-CB 3.26Å; E340-A343 PolarHBondContact O-N 3.37Å; E340-A343 VanDerWaalsContact O-N 3.11Å; E340-K344 HydrophobicContact CG-CD 4.01Å; E340-K344 HydrophobicContact CG-CG 4.3Å; E340-K344 PolarHBondContact O-N 3.14Å; E340-K344 WeakPolarHBondContact OE1-CE 3.25Å; E340-K344 IonicContact OE1-NZ 2.8Å; E340-K344 PolarHBondContact OE1-NZ 3.05Å
341	A	82.8	Confident	86.5	Confident	71 Å²	71	36.2 Å²	36.2	59%	0.587	19%	0.188	S	C	*	.	H	α-helix	trans	-58.4	-37.5	-178.7	0	0	0	0	0	111.8	N339 K344 H345	N339-A341 VanDerWaalsContact C-N 3.26Å; N339-A341 PolarHBondContact O-N 2.87Å; A341-K344 PolarHBondContact O-N 3.43Å; A341-H345 WeakPolarHBondContact O-CB 3.33Å; A341-H345 PolarHBondContact O-N 3.33Å
342	M	88.3	Confident	85.5	Confident	30 Å²	30	38.4 Å²	38.4	15%	0.148	20%	0.204	C	C	.	.	H	α-helix	trans	-66	-44.7	176.1	-63.1	171.5	177.5	0	0	111.1	C240 Q241 L337 Q338 N339 E340 K344 H345 I346	C240-M342 HydrophobicContact CB-CB 4.01Å; C240-M342 HydrophobicContact CB-CG 4.19Å; C240-M342 HydrophobicContact CB-SD 4.41Å; Q241-M342 PolarHBondContact N-SD 2.6Å; Q241-M342 VanDerWaalsContact N-SD 3.42Å; L337-M342 HydrophobicContact CB-CB 4.28Å; L337-M342 HydrophobicContact CD1-CB 4.3Å; Q338-M342 HydrophobicContact CB-CE 4.43Å; Q338-M342 HydrophobicContact CB-SD 4.02Å; N339-M342 HydrophobicContact CB-CG 4.34Å; N339-M342 HydrophobicContact CB-SD 4.29Å; N339-M342 WeakPolarHBondContact O-CB 3.33Å; N339-M342 PolarHBondContact O-N 3.14Å; E340-M342 PolarHBondContact O-N 2.76Å; M342-K344 VanDerWaalsContact C-N 3.33Å; M342-K344 PolarHBondContact O-N 2.98Å; M342-H345 WeakPolarHBondContact O-CB 3.47Å; M342-H345 PolarHBondContact O-N 2.94Å; M342-I346 WeakPolarHBondContact O-CG1 3.4Å; M342-I346 PolarHBondContact O-N 3.49Å; M342-I346 VanDerWaalsContact O-N 3.09Å
343	A	86.8	Confident	84.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-42.5	176.8	0	0	0	0	0	111.8	R212 L215 L337 N339 E340 L347 F384	R212-A343 WeakPolarHBondContact O-CB 3.4Å; L215-A343 HydrophobicContact CD2-CB 3.98Å; L215-A343 HydrophobicContact CG-CB 4.16Å; L337-A343 HydrophobicContact CD1-CB 3.67Å; N339-A343 PolarHBondContact O-N 3.15Å; E340-A343 WeakPolarHBondContact O-CB 3.26Å; E340-A343 PolarHBondContact O-N 3.37Å; E340-A343 VanDerWaalsContact O-N 3.11Å; A343-L347 VanDerWaalsContact O-CB 3.24Å; A343-L347 WeakPolarHBondContact O-CB 3.36Å; A343-L347 PolarHBondContact O-N 3.34Å; A343-F384 HydrophobicContact CB-CE1 4.01Å
344	K	84.8	Confident	82.2	Confident	65 Å²	65	47.3 Å²	47.3	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-61.9	-42.7	174.3	-82	174.1	166.5	164.8	0	112.3	E340 A341 M342 L347 K348 F384 V716	E340-K344 HydrophobicContact CG-CD 4.01Å; E340-K344 HydrophobicContact CG-CG 4.3Å; E340-K344 PolarHBondContact O-N 3.14Å; E340-K344 WeakPolarHBondContact OE1-CE 3.25Å; E340-K344 IonicContact OE1-NZ 2.8Å; E340-K344 PolarHBondContact OE1-NZ 3.05Å; A341-K344 PolarHBondContact O-N 3.43Å; M342-K344 VanDerWaalsContact C-N 3.33Å; M342-K344 PolarHBondContact O-N 2.98Å; K344-L347 PolarHBondContact O-N 3.4Å; K344-K348 VanDerWaalsContact O-CB 3.32Å; K344-K348 WeakPolarHBondContact O-CB 3.39Å; K344-K348 PolarHBondContact O-N 2.96Å; K344-F384 HydrophobicContact CG-CE1 4.44Å; K344-F384 HydrophobicContact CG-CZ 3.76Å; K344-V716 HydrophobicContact CD-CG1 4.49Å; K344-V716 VanDerWaalsContact NZ-CG1 3.26Å
345	H	85.9	Confident	80.3	Confident	100 Å²	100	51 Å²	51	46%	0.463	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-52	178.7	178.8	-102.9	0	0	0	111.1	Y237 A341 M342 L347 K348 D349	Y237-H345 AromaticContact CD1-ND1 3.89Å; A341-H345 WeakPolarHBondContact O-CB 3.33Å; A341-H345 PolarHBondContact O-N 3.33Å; M342-H345 WeakPolarHBondContact O-CB 3.47Å; M342-H345 PolarHBondContact O-N 2.94Å; H345-L347 PolarHBondContact O-N 2.92Å; H345-K348 WeakPolarHBondContact O-CB 3.44Å; H345-K348 PolarHBondContact O-N 3.46Å; H345-D349 PolarHBondContact O-N 3.33Å; H345-D349 VanDerWaalsContact O-N 3.16Å
346	I	87.9	Confident	78	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.6	-46.3	176.8	-65.6	170.7	0	0	0	110.8	L215 F233 Y237 C240 L337 M342 K348 D349 F350	L215-I346 HydrophobicContact CD1-CB 3.92Å; L215-I346 HydrophobicContact CD1-CD1 4.26Å; L215-I346 HydrophobicContact CD1-CG2 3.61Å; F233-I346 HydrophobicContact CD1-CD1 4.02Å; F233-I346 HydrophobicContact CD1-CG2 4.33Å; F233-I346 HydrophobicContact CE1-CD1 4.45Å; F233-I346 HydrophobicContact CE1-CG2 3.8Å; Y237-I346 HydrophobicContact CD1-CG1 3.77Å; Y237-I346 HydrophobicContact CD2-CD1 4.1Å; Y237-I346 HydrophobicContact CD2-CG1 3.88Å; Y237-I346 HydrophobicContact CE1-CB 4.41Å; Y237-I346 HydrophobicContact CE1-CG1 3.9Å; Y237-I346 HydrophobicContact CE2-CG1 4.05Å; Y237-I346 HydrophobicContact CE2-CG2 4.07Å; Y237-I346 HydrophobicContact CG-CD1 4.15Å; Y237-I346 HydrophobicContact CG-CG1 3.73Å; C240-I346 HydrophobicContact CB-CD1 4.18Å; L337-I346 HydrophobicContact CD1-CD1 3.75Å; L337-I346 HydrophobicContact CD2-CD1 4.06Å; M342-I346 WeakPolarHBondContact O-CG1 3.4Å; M342-I346 PolarHBondContact O-N 3.49Å; M342-I346 VanDerWaalsContact O-N 3.09Å; I346-K348 VanDerWaalsContact C-N 3.26Å; I346-K348 PolarHBondContact O-N 3.35Å; I346-D349 WeakPolarHBondContact O-CB 3.39Å; I346-D349 PolarHBondContact O-N 3.17Å; I346-F350 HydrophobicContact CG2-CD2 3.92Å; I346-F350 HydrophobicContact CG2-CE2 3.98Å; I346-F350 WeakPolarHBondContact O-CD2 3.29Å; I346-F350 PolarHBondContact O-N 2.96Å; I346-F350 VanDerWaalsContact O-N 3.12Å
347	L	85.4	Confident	75.7	Confident	20 Å²	20	69.1 Å²	69.1	11%	0.105	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-34.2	179.8	-175.7	66.3	0	0	0	112.5	L215 A343 K344 H345 N351 V382 F384	L215-L347 HydrophobicContact CD2-CB 4.44Å; A343-L347 VanDerWaalsContact O-CB 3.24Å; A343-L347 WeakPolarHBondContact O-CB 3.36Å; A343-L347 PolarHBondContact O-N 3.34Å; K344-L347 PolarHBondContact O-N 3.4Å; H345-L347 PolarHBondContact O-N 2.92Å; L347-N351 WeakPolarHBondContact CG-ND2 3.45Å; L347-N351 VanDerWaalsContact O-CB 3.29Å; L347-N351 WeakPolarHBondContact O-CB 3.35Å; L347-N351 VanDerWaalsContact O-CG 3.32Å; L347-N351 PolarHBondContact O-N 3Å; L347-N351 PolarHBondContact O-ND2 2.85Å; L347-N351 VanDerWaalsContact O-ND2 3.13Å; L347-V382 HydrophobicContact CD1-CB 4.4Å; L347-V382 HydrophobicContact CD1-CG1 4.12Å; L347-V382 VanDerWaalsContact CD1-O 3.32Å; L347-V382 WeakPolarHBondContact CD1-O 3.06Å; L347-F384 HydrophobicContact CD2-CD2 3.51Å; L347-F384 HydrophobicContact CD2-CE1 4.26Å; L347-F384 HydrophobicContact CD2-CE2 3.12Å; L347-F384 HydrophobicContact CD2-CG 4.23Å; L347-F384 HydrophobicContact CD2-CZ 3.54Å
348	K	82.5	Confident	73.2	Confident	160 Å²	160	75.2 Å²	75.2	70%	0.696	39%	0.385	S	S	*	.	H	α-helix	trans	-67	-40.2	177	-172.5	178.8	178.2	-177.4	0	111.1	K344 H345 I346 N351 A352	K344-K348 VanDerWaalsContact O-CB 3.32Å; K344-K348 WeakPolarHBondContact O-CB 3.39Å; K344-K348 PolarHBondContact O-N 2.96Å; H345-K348 WeakPolarHBondContact O-CB 3.44Å; H345-K348 PolarHBondContact O-N 3.46Å; I346-K348 VanDerWaalsContact C-N 3.26Å; I346-K348 PolarHBondContact O-N 3.35Å; K348-N351 PolarHBondContact O-N 3.19Å; K348-A352 WeakPolarHBondContact O-CB 3.4Å; K348-A352 PolarHBondContact O-N 3.28Å
349	D	83.9	Confident	71.5	Confident	35 Å²	35	75.4 Å²	75.4	19%	0.187	41%	0.408	C	S	.	.	H	α-helix	trans	-60.4	-54.9	174.9	-168.3	55.4	0	0	0	110.9	Y237 H345 I346 N351 A352 Q367	Y237-D349 HydrophobicContact CE1-CB 4.23Å; Y237-D349 PolarHBondContact OH-OD2 3.38Å; H345-D349 PolarHBondContact O-N 3.33Å; H345-D349 VanDerWaalsContact O-N 3.16Å; I346-D349 WeakPolarHBondContact O-CB 3.39Å; I346-D349 PolarHBondContact O-N 3.17Å; D349-N351 VanDerWaalsContact C-N 3.26Å; D349-N351 PolarHBondContact O-N 3.48Å; D349-A352 WeakPolarHBondContact O-CB 2.93Å; D349-A352 PolarHBondContact O-N 2.64Å; D349-A352 VanDerWaalsContact O-N 3.15Å; D349-Q367 PolarHBondContact OD2-N 3.42Å
350	F	81.5	Confident	69.8	Low	13 Å²	13	76.8 Å²	76.8	6%	0.057	42%	0.421	C	S	.	.	H	α-helix	trans	-62	-28.7	178.5	-83.3	-87.5	0	0	0	114	F233 Y237 I346 P366 V377 W380 V382	F233-F350 HydrophobicContact CE1-CE2 4.48Å; Y237-F350 HydrophobicContact CE2-CE2 4.38Å; Y237-F350 WeakPolarHBondContact OH-CE2 3.21Å; I346-F350 HydrophobicContact CG2-CD2 3.92Å; I346-F350 HydrophobicContact CG2-CE2 3.98Å; I346-F350 WeakPolarHBondContact O-CD2 3.29Å; I346-F350 PolarHBondContact O-N 2.96Å; I346-F350 VanDerWaalsContact O-N 3.12Å; F350-P366 HydrophobicContact CD1-CB 4.47Å; F350-P366 HydrophobicContact CD1-CG 4.36Å; F350-P366 HydrophobicContact CE1-CB 4.01Å; F350-P366 HydrophobicContact CE1-CG 4Å; F350-P366 HydrophobicContact CZ-CB 4.08Å; F350-V377 HydrophobicContact CE1-CG1 3.84Å; F350-V377 HydrophobicContact CZ-CG1 3.71Å; F350-W380 HydrophobicContact CE1-CB 4.14Å; F350-W380 HydrophobicContact CZ-CE3 4.23Å; F350-V382 HydrophobicContact CB-CB 4.26Å; F350-V382 HydrophobicContact CB-CG2 4.31Å; F350-V382 HydrophobicContact CD1-CG2 3.69Å; F350-V382 HydrophobicContact CD2-CB 4.44Å; F350-V382 HydrophobicContact CD2-CG2 3.89Å; F350-V382 HydrophobicContact CE1-CG2 3.89Å; F350-V382 HydrophobicContact CE2-CG2 4.07Å; F350-V382 HydrophobicContact CG-CB 4.16Å; F350-V382 HydrophobicContact CG-CG2 3.69Å; F350-V382 HydrophobicContact CZ-CG2 4.07Å
351	N	75.1	Confident	67.9	Low	69 Å²	69	79.6 Å²	79.6	37%	0.369	44%	0.444	S	S	.	.	H	α-helix	trans	-84	-26.3	176.9	-78.1	-35.3	0	0	0	113.6	L347 K348 D349 I353 K354	L347-N351 WeakPolarHBondContact CG-ND2 3.45Å; L347-N351 VanDerWaalsContact O-CB 3.29Å; L347-N351 WeakPolarHBondContact O-CB 3.35Å; L347-N351 VanDerWaalsContact O-CG 3.32Å; L347-N351 PolarHBondContact O-N 3Å; L347-N351 PolarHBondContact O-ND2 2.85Å; L347-N351 VanDerWaalsContact O-ND2 3.13Å; K348-N351 PolarHBondContact O-N 3.19Å; D349-N351 VanDerWaalsContact C-N 3.26Å; D349-N351 PolarHBondContact O-N 3.48Å; N351-I353 PolarHBondContact O-N 3.01Å; N351-I353 VanDerWaalsContact O-N 3.12Å; N351-K354 PolarHBondContact O-N 3.25Å; N351-K354 VanDerWaalsContact O-N 3.14Å; N351-K354 PolarHBondContact OD1-NZ 3.3Å; N351-K354 VanDerWaalsContact OD1-NZ 3.13Å
352	A	67.7	Low	66.2	Low	55 Å²	55	81.4 Å²	81.4	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-61.7	-18	175.8	0	0	0	0	0	112.6	K348 D349	K348-A352 WeakPolarHBondContact O-CB 3.4Å; K348-A352 PolarHBondContact O-N 3.28Å; D349-A352 WeakPolarHBondContact O-CB 2.93Å; D349-A352 PolarHBondContact O-N 2.64Å; D349-A352 VanDerWaalsContact O-N 3.15Å
353	I	61.9	Low	64.4	Low	66 Å²	66	83.6 Å²	83.6	34%	0.338	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-18.4	-179.1	-55.3	173.2	0	0	0	112.1	N351 C355 R364 P366	N351-I353 PolarHBondContact O-N 3.01Å; N351-I353 VanDerWaalsContact O-N 3.12Å; I353-C355 VanDerWaalsContact C-N 3.26Å; I353-C355 PolarHBondContact O-N 3.37Å; I353-C355 VanDerWaalsContact O-N 3.09Å; I353-R364 WeakPolarHBondContact CG1-O 3.35Å; I353-P366 HydrophobicContact CD1-CB 4.03Å; I353-P366 HydrophobicContact CD1-CG 3.53Å
354	K	53	Low	63	Low	125 Å²	125	92.3 Å²	92.3	54%	0.543	51%	0.514	S	S	.	.			trans	-83.5	37.2	-176.8	-68.7	-179.7	-176.1	155.3	0	114.6	N351 E356	N351-K354 PolarHBondContact O-N 3.25Å; N351-K354 VanDerWaalsContact O-N 3.14Å; N351-K354 PolarHBondContact OD1-NZ 3.3Å; N351-K354 VanDerWaalsContact OD1-NZ 3.13Å; K354-E356 PolarHBondContact O-N 3.3Å; K354-E356 VanDerWaalsContact O-N 3.1Å
355	C	52.8	Low	62.2	Low	79 Å²	79	95.6 Å²	95.6	53%	0.534	53%	0.53	S	S	.	.			trans	-73.1	102.1	169.8	-77.6	0	0	0	0	109.5	I353 W357	I353-C355 VanDerWaalsContact C-N 3.26Å; I353-C355 PolarHBondContact O-N 3.37Å; I353-C355 VanDerWaalsContact O-N 3.09Å; C355-W357 PolarHBondContact O-N 3.21Å
356	E	43.5	Very low	61.7	Low	186 Å²	186	91.3 Å²	91.3	87%	0.869	51%	0.511	S	S	*	.			trans	-77.4	8.3	-179	-80.3	177.6	161.6	0	0	114.7	K354 P358	K354-E356 PolarHBondContact O-N 3.3Å; K354-E356 VanDerWaalsContact O-N 3.1Å; E356-P358 WeakPolarHBondContact O-CD 3.25Å
357	W	43.2	Very low	61.5	Low	205 Å²	205	95.8 Å²	95.8	78%	0.777	53%	0.532	S	S	*	.			trans	-85.9	117.7	178.2	-91.8	79	0	0	0	111.6	C355 G359 C360	C355-W357 PolarHBondContact O-N 3.21Å; W357-G359 PolarHBondContact O-N 2.92Å; W357-C360 HydrophobicContact CB-CB 4.35Å; W357-C360 PolarHBondContact O-N 3.43Å
358	P	37.6	Very low	61.5	Low	128 Å²	128	99.3 Å²	99.3	83%	0.831	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	98.5	176.2	28.6	-31.4	0	0	0	108.8	E356	E356-P358 WeakPolarHBondContact O-CD 3.25Å
359	G	48.9	Very low	61.9	Low	80 Å²	80	92.7 Å²	92.7	83%	0.825	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	132.9	-9.9	177.6	0	0	0	0	0	115.8	W357	W357-G359 PolarHBondContact O-N 2.92Å
360	C	49.5	Very low	62.1	Low	94 Å²	94	95.1 Å²	95.1	64%	0.635	55%	0.55	S	S	*	.			trans	-111	27.1	179	-161.3	0	0	0	0	113	W357 C362	W357-C360 HydrophobicContact CB-CB 4.35Å; W357-C360 PolarHBondContact O-N 3.43Å; C360-C362 PolarHBondContact O-N 3.38Å
361	C	43.5	Very low	62.6	Low	91 Å²	91	95.4 Å²	95.4	62%	0.615	55%	0.553	S	S	*	*			trans	-86.9	95.1	-176.8	-58.4	0	0	0	0	110.8	G363	C361-G363 PolarHBondContact O-N 3.07Å; C361-G363 VanDerWaalsContact O-N 3.16Å
362	C	47.1	Very low	63.2	Low	109 Å²	109	93 Å²	93	74%	0.736	54%	0.541	S	S	*	.			trans	-64.5	107.1	143	-58.6	0	0	0	0	105.7	C360 R364	C360-C362 PolarHBondContact O-N 3.38Å; C362-R364 PolarHBondContact O-N 2.93Å
363	G	50.1	Low	64	Low	76 Å²	76	101 Å²	101	78%	0.784	56%	0.56	S	S	*	*			trans	-64.8	67.2	178.3	0	0	0	0	0	112.6	C361 E365	C361-G363 PolarHBondContact O-N 3.07Å; C361-G363 VanDerWaalsContact O-N 3.16Å; G363-E365 PolarHBondContact O-N 3.46Å
364	R	58.1	Low	65.3	Low	183 Å²	183	103 Å²	103	69%	0.691	57%	0.571	S	S	*	*			trans	-76.7	109.7	173.3	-75.5	-174.4	-179.8	176	0.9	107.9	I353 C362	I353-R364 WeakPolarHBondContact CG1-O 3.35Å; C362-R364 PolarHBondContact O-N 2.93Å
365	E	66.6	Low	67	Low	133 Å²	133	97.1 Å²	97.1	62%	0.621	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-72.6	151.2	162.4	-60.9	-167.3	137.2	0	0	109	G363 N378	G363-E365 PolarHBondContact O-N 3.46Å; E365-N378 PolarHBondContact OE1-ND2 3Å; E365-N378 VanDerWaalsContact OE1-ND2 3.08Å
366	P	75.1	Confident	68.7	Low	10 Å²	10	97 Å²	97	7%	0.065	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-55.4	155.3	170.6	-14.9	27.2	0	0	0	110.1	F350 I353 P368 V377 N378	F350-P366 HydrophobicContact CD1-CB 4.47Å; F350-P366 HydrophobicContact CD1-CG 4.36Å; F350-P366 HydrophobicContact CE1-CB 4.01Å; F350-P366 HydrophobicContact CE1-CG 4Å; F350-P366 HydrophobicContact CZ-CB 4.08Å; I353-P366 HydrophobicContact CD1-CB 4.03Å; I353-P366 HydrophobicContact CD1-CG 3.53Å; P366-P368 VanDerWaalsContact O-N 3.11Å; P366-V377 HydrophobicContact CB-CG1 4.06Å; P366-V377 HydrophobicContact CG-CG1 4.11Å; P366-N378 WeakPolarHBondContact CD-OD1 3.35Å
367	Q	83.6	Confident	70.8	Confident	94 Å²	94	88.3 Å²	88.3	44%	0.439	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-46.8	121.8	177.1	-69	-63.8	-32.8	0	0	111.4	A236 Y237 D349	A236-Q367 HydrophobicContact CB-CB 3.86Å; A236-Q367 WeakPolarHBondContact CB-O 3.45Å; A236-Q367 WeakPolarHBondContact O-CB 3.47Å; Y237-Q367 HydrophobicContact CE1-CB 4.3Å; Y237-Q367 HydrophobicContact CE1-CG 3.97Å; D349-Q367 PolarHBondContact OD2-N 3.42Å
368	P	85.4	Confident	72.7	Confident	95 Å²	95	83.3 Å²	83.3	62%	0.617	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-76.5	160.4	-175	30.7	-34.6	0	0	0	111.4	P366	P366-P368 VanDerWaalsContact O-N 3.11Å
369	S	91	Very high	75	Confident	21 Å²	21	84.3 Å²	84.3	15%	0.147	48%	0.479	C	S	.	.			trans	-147	167.4	175.1	69.3	0	0	0	0	108.7	H232 E235 V371 S372	H232-S369 PolarHBondContact ND1-OG 3.08Å; E235-S369 WeakPolarHBondContact OE2-CB 3.5Å; S369-V371 PolarHBondContact O-N 3.13Å; S369-V371 VanDerWaalsContact O-N 3.15Å; S369-V371 WeakPolarHBondContact OG-CG2 3.35Å; S369-V371 PolarHBondContact OG-N 3.44Å; S369-S372 PolarHBondContact N-OG 3.22Å; S369-S372 WeakPolarHBondContact O-CB 3.36Å; S369-S372 PolarHBondContact O-N 3.45Å; S369-S372 VanDerWaalsContact O-N 3.12Å; S369-S372 PolarHBondContact O-OG 3.26Å; S369-S372 PolarHBondContact OG-N 2.86Å; S369-S372 VanDerWaalsContact OG-N 3.14Å; S369-S372 PolarHBondContact OG-OG 2.93Å
370	S	89.8	Confident	76.9	Confident	86 Å²	86	81.1 Å²	81.1	60%	0.601	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-33	176.9	62.8	0	0	0	0	113.1	E235	E235-S370 VanDerWaalsContact CD-OG 3.25Å; E235-S370 PolarHBondContact OE1-OG 3.25Å; E235-S370 VanDerWaalsContact OE1-OG 3.04Å; E235-S370 VanDerWaalsContact OE2-CB 3.25Å; E235-S370 WeakPolarHBondContact OE2-CB 3.46Å; E235-S370 PolarHBondContact OE2-N 3.33Å; E235-S370 PolarHBondContact OE2-OG 3.24Å
371	V	90.6	Very high	78.7	Confident	19 Å²	19	84 Å²	84	12%	0.115	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	0.2	-177	-68.1	0	0	0	0	114	T231 H232 S369 R373 D374 L375	T231-V371 HydrophobicContact CG2-CG2 4.37Å; H232-V371 HydrophobicContact CB-CG2 3.73Å; S369-V371 PolarHBondContact O-N 3.13Å; S369-V371 VanDerWaalsContact O-N 3.15Å; S369-V371 WeakPolarHBondContact OG-CG2 3.35Å; S369-V371 PolarHBondContact OG-N 3.44Å; V371-R373 VanDerWaalsContact C-N 3.28Å; V371-R373 PolarHBondContact O-N 3.47Å; V371-D374 PolarHBondContact O-N 2.68Å; V371-L375 HydrophobicContact CB-CD1 4.1Å; V371-L375 HydrophobicContact CB-CG 4.42Å; V371-L375 HydrophobicContact CG2-CD1 3.78Å; V371-L375 WeakPolarHBondContact O-CB 3.26Å; V371-L375 WeakPolarHBondContact O-CG 3.39Å; V371-L375 PolarHBondContact O-N 3.13Å
372	S	87.5	Confident	80.8	Confident	19 Å²	19	80 Å²	80	13%	0.133	41%	0.413	C	S	.	.	H	α-helix	trans	-60.8	-35.5	-172.4	-73.8	0	0	0	0	113.5	H232 S369 N376 V377	H232-S372 PolarHBondContact CE1-OG 2.87Å; H232-S372 PolarHBondContact ND1-OG 3.49Å; S369-S372 PolarHBondContact N-OG 3.22Å; S369-S372 WeakPolarHBondContact O-CB 3.36Å; S369-S372 PolarHBondContact O-N 3.45Å; S369-S372 VanDerWaalsContact O-N 3.12Å; S369-S372 PolarHBondContact O-OG 3.26Å; S369-S372 PolarHBondContact OG-N 2.86Å; S369-S372 VanDerWaalsContact OG-N 3.14Å; S369-S372 PolarHBondContact OG-OG 2.93Å; S372-N376 PolarHBondContact O-N 3.36Å; S372-N376 VanDerWaalsContact O-N 3.09Å; S372-V377 PolarHBondContact O-N 3.19Å
373	R	86.1	Confident	82.6	Confident	221 Å²	221	77.3 Å²	77.3	83%	0.834	40%	0.395	S	S	*	.	H	α-helix	trans	-69	-44.5	179.5	-172.1	177.7	179.2	-177.8	-0.5	111.5	V371 L375 N376	V371-R373 VanDerWaalsContact C-N 3.28Å; V371-R373 PolarHBondContact O-N 3.47Å; R373-L375 VanDerWaalsContact C-N 3.32Å; R373-L375 PolarHBondContact O-N 2.99Å; R373-N376 PolarHBondContact O-N 2.9Å
374	D	88	Confident	84.3	Confident	108 Å²	108	75.8 Å²	75.8	58%	0.578	37%	0.367	S	S	*	.	H	α-helix	trans	-66.9	-38.2	179.6	-64.8	-16.4	0	0	0	111.3	V371 N376	V371-D374 PolarHBondContact O-N 2.68Å; D374-N376 VanDerWaalsContact C-N 3.31Å; D374-N376 PolarHBondContact O-N 3.31Å; D374-N376 PolarHBondContact O-ND2 3.09Å
375	L	88.4	Confident	85.6	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-79.4	-8.4	178.8	-71.2	179.1	0	0	0	114.3	P221 A224 Q228 V229 H232 V371 R373 V377 W380	P221-L375 WeakPolarHBondContact CD-O 3.12Å; P221-L375 WeakPolarHBondContact CG-O 3.44Å; A224-L375 HydrophobicContact CB-CD2 3.47Å; A224-L375 VanDerWaalsContact CB-CD2 3.47Å; Q228-L375 HydrophobicContact CB-CD1 4.47Å; Q228-L375 HydrophobicContact CB-CD2 4.28Å; V229-L375 HydrophobicContact CG2-CD2 4.44Å; H232-L375 HydrophobicContact CB-CD1 3.78Å; V371-L375 HydrophobicContact CB-CD1 4.1Å; V371-L375 HydrophobicContact CB-CG 4.42Å; V371-L375 HydrophobicContact CG2-CD1 3.78Å; V371-L375 WeakPolarHBondContact O-CB 3.26Å; V371-L375 WeakPolarHBondContact O-CG 3.39Å; V371-L375 PolarHBondContact O-N 3.13Å; R373-L375 VanDerWaalsContact C-N 3.32Å; R373-L375 PolarHBondContact O-N 2.99Å; L375-V377 VanDerWaalsContact C-N 3.3Å; L375-V377 HydrophobicContact CB-CG2 3.93Å; L375-V377 PolarHBondContact O-N 3.35Å; L375-W380 HydrophobicContact CB-CH2 4.45Å; L375-W380 HydrophobicContact CB-CZ2 3.74Å; L375-W380 HydrophobicContact CD1-CH2 4.05Å; L375-W380 HydrophobicContact CD1-CZ2 4.07Å; L375-W380 HydrophobicContact CD2-CZ2 4.37Å; L375-W380 HydrophobicContact CG-CZ2 4.28Å; L375-W380 PolarHBondContact O-NE1 2.77Å
376	N	88.4	Confident	86.4	Confident	78 Å²	78	61.1 Å²	61.1	42%	0.417	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	48	-176.8	-67.7	-82.5	0	0	0	113	P221 S372 R373 D374 N378 K379	P221-N376 HydrophobicContact CG-CB 4.49Å; S372-N376 PolarHBondContact O-N 3.36Å; S372-N376 VanDerWaalsContact O-N 3.09Å; R373-N376 PolarHBondContact O-N 2.9Å; D374-N376 VanDerWaalsContact C-N 3.31Å; D374-N376 PolarHBondContact O-N 3.31Å; D374-N376 PolarHBondContact O-ND2 3.09Å; N376-N378 PolarHBondContact O-N 3.33Å; N376-K379 PolarHBondContact O-N 2.86Å
377	V	87.3	Confident	86.7	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.018	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-55.8	-30.8	-171.6	179.3	0	0	0	0	112.9	F350 P366 S372 L375 K379 W380	F350-V377 HydrophobicContact CE1-CG1 3.84Å; F350-V377 HydrophobicContact CZ-CG1 3.71Å; P366-V377 HydrophobicContact CB-CG1 4.06Å; P366-V377 HydrophobicContact CG-CG1 4.11Å; S372-V377 PolarHBondContact O-N 3.19Å; L375-V377 VanDerWaalsContact C-N 3.3Å; L375-V377 HydrophobicContact CB-CG2 3.93Å; L375-V377 PolarHBondContact O-N 3.35Å; V377-K379 PolarHBondContact O-N 3.22Å; V377-W380 HydrophobicContact CB-CD2 4.41Å; V377-W380 HydrophobicContact CG1-CD2 4.24Å; V377-W380 HydrophobicContact CG1-CE3 4.06Å; V377-W380 HydrophobicContact CG2-CD2 4.36Å; V377-W380 HydrophobicContact CG2-CE3 4.44Å; V377-W380 HydrophobicContact CG2-CH2 4.27Å; V377-W380 HydrophobicContact CG2-CZ2 4.17Å; V377-W380 HydrophobicContact CG2-CZ3 4.39Å; V377-W380 VanDerWaalsContact O-CB 3.26Å; V377-W380 WeakPolarHBondContact O-CB 3.42Å; V377-W380 PolarHBondContact O-N 2.87Å
378	N	83.9	Confident	86.6	Confident	99 Å²	99	58.1 Å²	58.1	53%	0.529	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-59.2	-21.2	177.5	-61.9	-1.5	0	0	0	113.6	E365 P366 N376	E365-N378 PolarHBondContact OE1-ND2 3Å; E365-N378 VanDerWaalsContact OE1-ND2 3.08Å; P366-N378 WeakPolarHBondContact CD-OD1 3.35Å; N376-N378 PolarHBondContact O-N 3.33Å
379	K	85.7	Confident	86.3	Confident	149 Å²	149	61 Å²	61	65%	0.648	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-95	-3.4	178.4	-65	-179.4	-179.8	172.3	0	113.2	S219 N376 V377	S219-K379 VanDerWaalsContact CB-O 3.29Å; S219-K379 WeakPolarHBondContact CB-O 3.45Å; S219-K379 PolarHBondContact OG-O 2.7Å; N376-K379 PolarHBondContact O-N 2.86Å; V377-K379 PolarHBondContact O-N 3.22Å
380	W	89.6	Confident	85.8	Confident	14 Å²	14	60.3 Å²	60.3	5%	0.053	29%	0.291	C	S	.	.			trans	-70.6	142.4	-175.4	-70.6	10.3	0	0	0	111.3	V217 C218 I220 V229 H232 F233 F350 L375 V377	V217-W380 HydrophobicContact CG1-CB 4.36Å; V217-W380 HydrophobicContact CG1-CD2 3.76Å; V217-W380 HydrophobicContact CG1-CE3 3.48Å; V217-W380 VanDerWaalsContact CG1-CE3 3.48Å; V217-W380 HydrophobicContact CG1-CG 4.19Å; V217-W380 HydrophobicContact CG1-CZ3 3.97Å; C218-W380 WeakPolarHBondContact O-CA 3.36Å; I220-W380 HydrophobicContact CG1-CZ2 4.05Å; I220-W380 HydrophobicContact CG2-CZ2 4.37Å; V229-W380 HydrophobicContact CG1-CH2 4.38Å; H232-W380 AromaticContact CD2-CH2 3.84Å; H232-W380 AromaticContact CD2-CZ3 3.51Å; H232-W380 AromaticContact NE2-CZ3 3.98Å; F233-W380 HydrophobicContact CE2-CH2 4.47Å; F233-W380 AromaticContact CE2-CZ3 3.82Å; F233-W380 HydrophobicContact CE2-CZ3 3.82Å; F233-W380 HydrophobicContact CZ-CE3 4.44Å; F233-W380 AromaticContact CZ-CZ3 3.85Å; F233-W380 HydrophobicContact CZ-CZ3 3.85Å; F350-W380 HydrophobicContact CE1-CB 4.14Å; F350-W380 HydrophobicContact CZ-CE3 4.23Å; L375-W380 HydrophobicContact CB-CH2 4.45Å; L375-W380 HydrophobicContact CB-CZ2 3.74Å; L375-W380 HydrophobicContact CD1-CH2 4.05Å; L375-W380 HydrophobicContact CD1-CZ2 4.07Å; L375-W380 HydrophobicContact CD2-CZ2 4.37Å; L375-W380 HydrophobicContact CG-CZ2 4.28Å; L375-W380 PolarHBondContact O-NE1 2.77Å; V377-W380 HydrophobicContact CB-CD2 4.41Å; V377-W380 HydrophobicContact CG1-CD2 4.24Å; V377-W380 HydrophobicContact CG1-CE3 4.06Å; V377-W380 HydrophobicContact CG2-CD2 4.36Å; V377-W380 HydrophobicContact CG2-CE3 4.44Å; V377-W380 HydrophobicContact CG2-CH2 4.27Å; V377-W380 HydrophobicContact CG2-CZ2 4.17Å; V377-W380 HydrophobicContact CG2-CZ3 4.39Å; V377-W380 VanDerWaalsContact O-CB 3.26Å; V377-W380 WeakPolarHBondContact O-CB 3.42Å; V377-W380 PolarHBondContact O-N 2.87Å
381	R	86	Confident	85.7	Confident	155 Å²	155	56.6 Å²	56.6	59%	0.585	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.4	165.7	-68.5	-160	-62.9	-103	3.2	108.8	C218	C218-R381 HydrophobicContact CB-CB 4.33Å; C218-R381 PolarHBondContact N-O 2.6Å; C218-R381 PolarHBondContact O-N 2.76Å; C218-R381 VanDerWaalsContact O-N 3.14Å
382	V	87.6	Confident	85.6	Confident	7 Å²	7	58.2 Å²	58.2	4%	0.042	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.2	180	-173.1	0	0	0	0	109.1	L215 V217 L347 F350	L215-V382 HydrophobicContact CB-CG1 4.17Å; L215-V382 HydrophobicContact CD1-CG1 4.12Å; L215-V382 HydrophobicContact CD2-CG1 4.15Å; L215-V382 HydrophobicContact CG-CG1 4.39Å; V217-V382 HydrophobicContact CG1-CG2 4.39Å; V217-V382 HydrophobicContact CG2-CG1 4.49Å; V217-V382 HydrophobicContact CG2-CG2 4.35Å; L347-V382 HydrophobicContact CD1-CB 4.4Å; L347-V382 HydrophobicContact CD1-CG1 4.12Å; L347-V382 VanDerWaalsContact CD1-O 3.32Å; L347-V382 WeakPolarHBondContact CD1-O 3.06Å; F350-V382 HydrophobicContact CB-CB 4.26Å; F350-V382 HydrophobicContact CB-CG2 4.31Å; F350-V382 HydrophobicContact CD1-CG2 3.69Å; F350-V382 HydrophobicContact CD2-CB 4.44Å; F350-V382 HydrophobicContact CD2-CG2 3.89Å; F350-V382 HydrophobicContact CE1-CG2 3.89Å; F350-V382 HydrophobicContact CE2-CG2 4.07Å; F350-V382 HydrophobicContact CG-CB 4.16Å; F350-V382 HydrophobicContact CG-CG2 3.69Å; F350-V382 HydrophobicContact CZ-CG2 4.07Å
383	S	86.1	Confident	85.7	Confident	52 Å²	52	58.8 Å²	58.8	36%	0.364	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	164.4	171.1	59.8	0	0	0	0	109.5	F216 A385	F216-S383 PolarHBondContact N-O 3.46Å; F216-S383 PolarHBondContact O-N 2.86Å; S383-A385 PolarHBondContact O-N 3.38Å
384	F	85.1	Confident	85.7	Confident	44 Å²	44	52.7 Å²	52.7	19%	0.193	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	141.2	167.6	-70.5	-68.4	0	0	0	110.5	L215 A343 K344 L347	L215-F384 HydrophobicContact CD2-CD1 4.2Å; L215-F384 HydrophobicContact CD2-CE1 4.39Å; A343-F384 HydrophobicContact CB-CE1 4.01Å; K344-F384 HydrophobicContact CG-CE1 4.44Å; K344-F384 HydrophobicContact CG-CZ 3.76Å; L347-F384 HydrophobicContact CD2-CD2 3.51Å; L347-F384 HydrophobicContact CD2-CE1 4.26Å; L347-F384 HydrophobicContact CD2-CE2 3.12Å; L347-F384 HydrophobicContact CD2-CG 4.23Å; L347-F384 HydrophobicContact CD2-CZ 3.54Å
385	A	85.6	Confident	85.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-71.9	139	172.7	0	0	0	0	0	110.2	T214 F216 F334 S383 Y735	T214-A385 HydrophobicContact CG2-CB 3.76Å; T214-A385 WeakPolarHBondContact O-CB 3.42Å; T214-A385 PolarHBondContact O-N 2.9Å; F216-A385 HydrophobicContact CB-CB 4.1Å; F334-A385 HydrophobicContact CD1-CB 3.98Å; F334-A385 HydrophobicContact CE1-CB 4.31Å; S383-A385 PolarHBondContact O-N 3.38Å; A385-Y735 HydrophobicContact CB-CE1 3.83Å
386	P	82.9	Confident	85.8	Confident	8 Å²	8	49.1 Å²	49.1	5%	0.052	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-70.6	163.5	167.6	34.6	-37.2	0	0	0	109.4	V391 W478 Y735	P386-V391 HydrophobicContact CG-CG2 3.66Å; P386-W478 HydrophobicContact CG-CH2 4.13Å; P386-W478 HydrophobicContact CG-CZ3 3.75Å; P386-Y735 WeakPolarHBondContact O-CE1 3.49Å; P386-Y735 VanDerWaalsContact O-CZ 3.31Å; P386-Y735 PolarHBondContact O-OH 2.99Å
387	H	81.1	Confident	85.6	Confident	24 Å²	24	47.2 Å²	47.2	11%	0.111	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-57.3	141.6	179.6	-174.8	-86.5	0	0	0	111.1	K389 S390 R644	H387-K389 VanDerWaalsContact C-N 3.25Å; H387-K389 PolarHBondContact ND1-N 2.69Å; H387-K389 PolarHBondContact O-N 2.74Å; H387-K389 VanDerWaalsContact O-N 3.1Å; H387-S390 PolarHBondContact N-OG 3.28Å; H387-S390 WeakPolarHBondContact O-CA 3.45Å; H387-S390 WeakPolarHBondContact O-CB 3.38Å; H387-S390 PolarHBondContact O-N 2.85Å; H387-S390 PolarHBondContact O-OG 3.49Å; H387-R644 PolarHBondContact NE2-NH1 3.43Å
388	P	81.9	Confident	85.5	Confident	17 Å²	17	49 Å²	49	11%	0.11	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-54.5	-36.9	-174	-26.5	32.9	0	0	0	114.6	S390 V391 W393 L733 Y735	P388-S390 VanDerWaalsContact C-N 3.28Å; P388-S390 PolarHBondContact O-N 3.49Å; P388-V391 PolarHBondContact O-N 2.76Å; P388-W393 PolarHBondContact O-NE1 3.47Å; P388-L733 HydrophobicContact CG-CB 4.27Å; P388-L733 HydrophobicContact CG-CD2 4.06Å; P388-Y735 HydrophobicContact CB-CD1 4.39Å; P388-Y735 HydrophobicContact CB-CE1 4.33Å; P388-Y735 HydrophobicContact CG-CD1 4.05Å; P388-Y735 HydrophobicContact CG-CD2 3.97Å; P388-Y735 HydrophobicContact CG-CE1 3.77Å; P388-Y735 HydrophobicContact CG-CE2 3.7Å; P388-Y735 HydrophobicContact CG-CG 4.15Å
389	K	79.3	Confident	85.2	Confident	155 Å²	155	47.7 Å²	47.7	67%	0.674	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-68.2	-22.6	175.9	-64.6	-173.4	176.7	-171.4	0	114.2	H387 V391	H387-K389 VanDerWaalsContact C-N 3.25Å; H387-K389 PolarHBondContact ND1-N 2.69Å; H387-K389 PolarHBondContact O-N 2.74Å; H387-K389 VanDerWaalsContact O-N 3.1Å; K389-V391 VanDerWaalsContact C-N 3.35Å
390	S	81.9	Confident	85.1	Confident	7 Å²	7	43.3 Å²	43.3	5%	0.049	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-90.3	0.2	179.6	67.7	0	0	0	0	113.4	H387 P388 M480	H387-S390 PolarHBondContact N-OG 3.28Å; H387-S390 WeakPolarHBondContact O-CA 3.45Å; H387-S390 WeakPolarHBondContact O-CB 3.38Å; H387-S390 PolarHBondContact O-N 2.85Å; H387-S390 PolarHBondContact O-OG 3.49Å; P388-S390 VanDerWaalsContact C-N 3.28Å; P388-S390 PolarHBondContact O-N 3.49Å; S390-M480 WeakPolarHBondContact O-CB 3.37Å; S390-M480 PolarHBondContact O-N 2.74Å
391	V	87.3	Confident	84.9	Confident	7 Å²	7	49.8 Å²	49.8	4%	0.042	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-90.9	120.4	175.9	179.7	0	0	0	0	109.4	P386 P388 K389 W393	P386-V391 HydrophobicContact CG-CG2 3.66Å; P388-V391 PolarHBondContact O-N 2.76Å; K389-V391 VanDerWaalsContact C-N 3.35Å; V391-W393 HydrophobicContact CB-CD2 4.42Å; V391-W393 HydrophobicContact CB-CZ2 4.24Å; V391-W393 HydrophobicContact CG1-CD2 3.84Å; V391-W393 HydrophobicContact CG1-CE3 4.08Å; V391-W393 HydrophobicContact CG1-CG 4.26Å; V391-W393 HydrophobicContact CG1-CH2 4.48Å; V391-W393 HydrophobicContact CG1-CZ2 4.23Å; V391-W393 HydrophobicContact CG1-CZ3 4.41Å; V391-W393 PolarHBondContact O-N 3.1Å; V391-W393 VanDerWaalsContact O-N 3.13Å; V391-W393 PolarHBondContact O-NE1 2.95Å
392	Y	88.7	Confident	85	Confident	54 Å²	54	46.9 Å²	46.9	21%	0.212	25%	0.25	C	C	.	.			trans	-82.2	87.8	168.6	-63.9	-55.8	0	0	0	109.6	E394 N395 L396 H477 W478 M480 E483	Y392-E394 PolarHBondContact O-N 2.81Å; Y392-N395 PolarHBondContact O-N 3.37Å; Y392-L396 PolarHBondContact O-N 3.28Å; Y392-L396 VanDerWaalsContact O-N 3.14Å; Y392-H477 WeakPolarHBondContact CD2-O 3.18Å; Y392-W478 PolarHBondContact N-O 3.01Å; Y392-M480 HydrophobicContact CE2-CB 4.03Å; Y392-M480 HydrophobicContact CE2-CG 4.47Å; Y392-E483 HydrophobicContact CE2-CB 4.47Å
393	W	88	Confident	85.2	Confident	31 Å²	31	49.8 Å²	49.8	12%	0.117	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.3	-177.6	-62.3	99.8	0	0	0	113.6	V251 M255 F334 P388 V391 L396 Y735 P737	V251-W393 HydrophobicContact CG2-CB 4.1Å; M255-W393 HydrophobicContact CE-CB 4.1Å; M255-W393 HydrophobicContact SD-CB 3.51Å; M255-W393 VanDerWaalsContact SD-CB 3.51Å; F334-W393 HydrophobicContact CD2-CH2 4.29Å; F334-W393 HydrophobicContact CD2-CZ3 4.34Å; F334-W393 AromaticContact CE2-CH2 3.77Å; F334-W393 HydrophobicContact CE2-CH2 3.77Å; F334-W393 AromaticContact CE2-CZ3 3.57Å; F334-W393 HydrophobicContact CE2-CZ3 3.57Å; F334-W393 HydrophobicContact CZ-CH2 4.04Å; F334-W393 HydrophobicContact CZ-CZ3 4.05Å; P388-W393 PolarHBondContact O-NE1 3.47Å; V391-W393 HydrophobicContact CB-CD2 4.42Å; V391-W393 HydrophobicContact CB-CZ2 4.24Å; V391-W393 HydrophobicContact CG1-CD2 3.84Å; V391-W393 HydrophobicContact CG1-CE3 4.08Å; V391-W393 HydrophobicContact CG1-CG 4.26Å; V391-W393 HydrophobicContact CG1-CH2 4.48Å; V391-W393 HydrophobicContact CG1-CZ2 4.23Å; V391-W393 HydrophobicContact CG1-CZ3 4.41Å; V391-W393 PolarHBondContact O-N 3.1Å; V391-W393 VanDerWaalsContact O-N 3.13Å; V391-W393 PolarHBondContact O-NE1 2.95Å; W393-L396 HydrophobicContact CE3-CD2 4.24Å; W393-L396 HydrophobicContact CZ3-CD2 4.46Å; W393-L396 WeakPolarHBondContact O-CB 3.47Å; W393-L396 PolarHBondContact O-N 3.09Å; W393-Y735 HydrophobicContact CH2-CD1 4.43Å; W393-P737 HydrophobicContact CB-CG 4.48Å; W393-P737 HydrophobicContact CD2-CB 4.47Å; W393-P737 HydrophobicContact CD2-CG 3.85Å; W393-P737 HydrophobicContact CE3-CG 3.64Å; W393-P737 HydrophobicContact CG-CB 4.47Å; W393-P737 HydrophobicContact CG-CG 4.22Å; W393-P737 HydrophobicContact CZ3-CG 4.14Å
394	E	87.3	Confident	85.4	Confident	93 Å²	93	52 Å²	52	44%	0.435	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-37.8	175.3	51.3	-170.2	161.1	0	0	112.9	A252 M255 Y392 S397	A252-E394 HydrophobicContact CB-CB 4.21Å; M255-E394 HydrophobicContact SD-CB 4.43Å; Y392-E394 PolarHBondContact O-N 2.81Å; E394-S397 PolarHBondContact O-OG 3.1Å
395	N	90.1	Very high	85.7	Confident	33 Å²	33	54.2 Å²	54.2	18%	0.176	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-84.1	-14.4	-179.4	-67.6	-15.8	0	0	0	113.1	Y392 S397 V398 A476 H477	Y392-N395 PolarHBondContact O-N 3.37Å; N395-S397 PolarHBondContact O-N 3.17Å; N395-V398 PolarHBondContact O-N 3.21Å; N395-A476 HydrophobicContact CB-CB 4.29Å; N395-H477 VanDerWaalsContact CB-O 3.24Å; N395-H477 WeakPolarHBondContact CB-O 3.33Å; N395-H477 PolarHBondContact ND2-O 3.36Å
396	L	87.8	Confident	86	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-58.5	-24.2	-179.4	-165	67.8	0	0	0	113	F216 L330 V332 Y392 W393 R399 W478	F216-L396 HydrophobicContact CE2-CD1 4.46Å; F216-L396 HydrophobicContact CZ-CD1 4.15Å; L330-L396 HydrophobicContact CD1-CB 4.23Å; L330-L396 HydrophobicContact CD1-CD2 4.08Å; L330-L396 HydrophobicContact CD1-CG 3.98Å; V332-L396 HydrophobicContact CG2-CD2 4.13Å; Y392-L396 PolarHBondContact O-N 3.28Å; Y392-L396 VanDerWaalsContact O-N 3.14Å; W393-L396 HydrophobicContact CE3-CD2 4.24Å; W393-L396 HydrophobicContact CZ3-CD2 4.46Å; W393-L396 WeakPolarHBondContact O-CB 3.47Å; W393-L396 PolarHBondContact O-N 3.09Å; L396-R399 VanDerWaalsContact O-CD 3.25Å; L396-R399 WeakPolarHBondContact O-CD 3.36Å; L396-R399 WeakPolarHBondContact O-CG 3.48Å; L396-W478 HydrophobicContact CD1-CB 4.07Å; L396-W478 HydrophobicContact CD1-CD2 4.29Å; L396-W478 HydrophobicContact CD1-CE3 4.03Å; L396-W478 HydrophobicContact CD1-CG 4.32Å
397	S	85.6	Confident	86.4	Confident	37 Å²	37	63.5 Å²	63.5	26%	0.259	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-72.2	-24.5	177.4	66.5	0	0	0	0	114.1	E394 N395 R399	E394-S397 PolarHBondContact O-OG 3.1Å; N395-S397 PolarHBondContact O-N 3.17Å; S397-R399 PolarHBondContact O-N 3.18Å
398	V	83.7	Confident	86.9	Confident	41 Å²	41	66.5 Å²	66.5	25%	0.248	33%	0.326	C	S	.	.	S	Bend	trans	-94.3	91	-175.3	-172.5	0	0	0	0	109.1	N395 W403	N395-V398 PolarHBondContact O-N 3.21Å; V398-W403 HydrophobicContact CG1-CB 4.31Å
399	R	78.9	Confident	87.5	Confident	72 Å²	72	67.6 Å²	67.6	27%	0.272	34%	0.341	S	S	.	.			trans	-136.5	164.9	-175.5	-67.5	-175.5	65.8	168.2	0.2	113.5	F216 C218 L396 S397	F216-R399 VanDerWaalsContact CZ-NH1 3.33Å; C218-R399 PolarHBondContact SG-NH1 3.27Å; C218-R399 PolarHBondContact SG-NH2 3.34Å; L396-R399 VanDerWaalsContact O-CD 3.25Å; L396-R399 WeakPolarHBondContact O-CD 3.36Å; L396-R399 WeakPolarHBondContact O-CG 3.48Å; S397-R399 PolarHBondContact O-N 3.18Å
400	G	83.3	Confident	88.2	Confident	57 Å²	57	62.1 Å²	62.1	59%	0.588	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-138.4	171.8	0	0	0	0	0	112.8	C402 W403 F404	G400-C402 PolarHBondContact O-N 3.43Å; G400-W403 WeakPolarHBondContact O-CB 3.27Å; G400-W403 PolarHBondContact O-N 3.26Å; G400-F404 PolarHBondContact O-N 3.04Å
401	F	85.9	Confident	88.6	Confident	150 Å²	150	63.1 Å²	63.1	66%	0.658	32%	0.323	S	S	*	.	H	α-helix	trans	-64.3	-38	-173.9	-173.6	-110.8	0	0	0	113.4	W403 F404 I405	F401-W403 VanDerWaalsContact C-N 3.31Å; F401-W403 PolarHBondContact O-N 3.04Å; F401-F404 PolarHBondContact O-N 2.84Å; F401-F404 VanDerWaalsContact O-N 3.17Å; F401-I405 HydrophobicContact CD1-CD1 3.78Å; F401-I405 HydrophobicContact CD1-CG1 4.45Å; F401-I405 HydrophobicContact CE1-CD1 3.21Å; F401-I405 HydrophobicContact CE1-CG1 4.08Å; F401-I405 HydrophobicContact CE2-CD1 4.39Å; F401-I405 HydrophobicContact CE2-CG1 4.45Å; F401-I405 HydrophobicContact CZ-CD1 3.57Å; F401-I405 HydrophobicContact CZ-CG1 4.07Å; F401-I405 PolarHBondContact O-N 2.97Å
402	C	87.3	Confident	88.7	Confident	93 Å²	93	67.5 Å²	67.5	63%	0.628	35%	0.346	S	S	*	.	H	α-helix	trans	-62.3	-39.6	176	-61.7	0	0	0	0	112	G400 R406	G400-C402 PolarHBondContact O-N 3.43Å; C402-R406 WeakPolarHBondContact O-CB 3.42Å; C402-R406 PolarHBondContact O-N 3.47Å; C402-R406 VanDerWaalsContact O-N 3.09Å
403	W	90.8	Very high	88.8	Confident	69 Å²	69	68.4 Å²	68.4	26%	0.261	36%	0.36	S	S	.	.	H	α-helix	trans	-65	-42.7	174.1	-178.7	87.3	0	0	0	111.2	V398 G400 F401 R406 W407 E475 H477	V398-W403 HydrophobicContact CG1-CB 4.31Å; G400-W403 WeakPolarHBondContact O-CB 3.27Å; G400-W403 PolarHBondContact O-N 3.26Å; F401-W403 VanDerWaalsContact C-N 3.31Å; F401-W403 PolarHBondContact O-N 3.04Å; W403-R406 PolarHBondContact O-N 3.11Å; W403-W407 HydrophobicContact CE3-CB 4.45Å; W403-W407 HydrophobicContact CH2-CB 4.26Å; W403-W407 AromaticContact CH2-CD1 3.91Å; W403-W407 HydrophobicContact CH2-CG 4.08Å; W403-W407 HydrophobicContact CZ2-CB 4.38Å; W403-W407 HydrophobicContact CZ2-CG 4.47Å; W403-W407 HydrophobicContact CZ3-CB 4.3Å; W403-W407 HydrophobicContact CZ3-CG 4.34Å; W403-W407 VanDerWaalsContact O-CB 3.28Å; W403-W407 WeakPolarHBondContact O-CB 2.97Å; W403-W407 PolarHBondContact O-N 3.47Å; W403-E475 VanDerWaalsContact CD1-O 3.31Å; W403-E475 PolarHBondContact NE1-O 3.44Å; W403-H477 AromaticContact CZ2-CE1 3.6Å
404	F	90.5	Very high	88.8	Confident	97 Å²	97	67.2 Å²	67.2	43%	0.425	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-45.6	177.6	176.7	-99	0	0	0	112.9	G400 F401 R406 W407 L408	G400-F404 PolarHBondContact O-N 3.04Å; F401-F404 PolarHBondContact O-N 2.84Å; F401-F404 VanDerWaalsContact O-N 3.17Å; F404-R406 VanDerWaalsContact C-N 3.33Å; F404-R406 PolarHBondContact O-N 2.77Å; F404-W407 AromaticContact CD2-CE3 3.94Å; F404-W407 HydrophobicContact CD2-CE3 3.94Å; F404-W407 HydrophobicContact CD2-CZ3 4.23Å; F404-W407 AromaticContact CE2-CE3 3.86Å; F404-W407 HydrophobicContact CE2-CE3 3.86Å; F404-W407 AromaticContact CE2-CZ3 3.7Å; F404-W407 HydrophobicContact CE2-CZ3 3.7Å; F404-W407 HydrophobicContact CZ-CZ3 4.39Å; F404-W407 PolarHBondContact O-N 3.47Å; F404-L408 HydrophobicContact CE1-CD2 4.39Å; F404-L408 WeakPolarHBondContact O-CB 3.37Å; F404-L408 PolarHBondContact O-N 3.18Å
405	I	91.6	Very high	88.7	Confident	91 Å²	91	66.5 Å²	66.5	47%	0.467	35%	0.352	S	S	.	.	H	α-helix	trans	-60.9	-44.5	175.5	-72	175.7	0	0	0	110.7	F401 L408 G409	F401-I405 HydrophobicContact CD1-CD1 3.78Å; F401-I405 HydrophobicContact CD1-CG1 4.45Å; F401-I405 HydrophobicContact CE1-CD1 3.21Å; F401-I405 HydrophobicContact CE1-CG1 4.08Å; F401-I405 HydrophobicContact CE2-CD1 4.39Å; F401-I405 HydrophobicContact CE2-CG1 4.45Å; F401-I405 HydrophobicContact CZ-CD1 3.57Å; F401-I405 HydrophobicContact CZ-CG1 4.07Å; F401-I405 PolarHBondContact O-N 2.97Å; I405-L408 PolarHBondContact O-N 3.05Å; I405-G409 PolarHBondContact O-N 3.38Å
406	R	92.1	Very high	88.3	Confident	117 Å²	117	68.8 Å²	68.8	44%	0.442	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-47.6	178.2	-179.5	174.3	177	128.9	-1.3	111.2	C402 W403 F404 G409 I410 G474	C402-R406 WeakPolarHBondContact O-CB 3.42Å; C402-R406 PolarHBondContact O-N 3.47Å; C402-R406 VanDerWaalsContact O-N 3.09Å; W403-R406 PolarHBondContact O-N 3.11Å; F404-R406 VanDerWaalsContact C-N 3.33Å; F404-R406 PolarHBondContact O-N 2.77Å; R406-G409 PolarHBondContact O-N 3.41Å; R406-I410 HydrophobicContact CG-CD1 3.73Å; R406-I410 HydrophobicContact CG-CG1 4.5Å; R406-I410 WeakPolarHBondContact O-CB 3.11Å; R406-I410 VanDerWaalsContact O-CG1 3.23Å; R406-I410 WeakPolarHBondContact O-CG1 3.31Å; R406-I410 PolarHBondContact O-N 3.2Å; R406-G474 PolarHBondContact NE-O 3.4Å; R406-G474 PolarHBondContact NH2-O 3.17Å
407	W	91.8	Very high	88.1	Confident	87 Å²	87	72.4 Å²	72.4	33%	0.33	38%	0.382	S	S	.	.	H	α-helix	trans	-56.4	-49.5	174.2	170.7	86.5	0	0	0	111.2	W403 F404 N411 E475	W403-W407 HydrophobicContact CE3-CB 4.45Å; W403-W407 HydrophobicContact CH2-CB 4.26Å; W403-W407 AromaticContact CH2-CD1 3.91Å; W403-W407 HydrophobicContact CH2-CG 4.08Å; W403-W407 HydrophobicContact CZ2-CB 4.38Å; W403-W407 HydrophobicContact CZ2-CG 4.47Å; W403-W407 HydrophobicContact CZ3-CB 4.3Å; W403-W407 HydrophobicContact CZ3-CG 4.34Å; W403-W407 VanDerWaalsContact O-CB 3.28Å; W403-W407 WeakPolarHBondContact O-CB 2.97Å; W403-W407 PolarHBondContact O-N 3.47Å; F404-W407 AromaticContact CD2-CE3 3.94Å; F404-W407 HydrophobicContact CD2-CE3 3.94Å; F404-W407 HydrophobicContact CD2-CZ3 4.23Å; F404-W407 AromaticContact CE2-CE3 3.86Å; F404-W407 HydrophobicContact CE2-CE3 3.86Å; F404-W407 AromaticContact CE2-CZ3 3.7Å; F404-W407 HydrophobicContact CE2-CZ3 3.7Å; F404-W407 HydrophobicContact CZ-CZ3 4.39Å; F404-W407 PolarHBondContact O-N 3.47Å; W407-N411 PolarHBondContact NE1-ND2 3.37Å; W407-N411 VanDerWaalsContact NE1-ND2 3.1Å; W407-N411 WeakPolarHBondContact O-CB 3.24Å; W407-N411 PolarHBondContact O-N 3.45Å; W407-N411 PolarHBondContact O-ND2 2.92Å; W407-E475 PolarHBondContact NE1-OE1 3.25Å
408	L	92.1	Very high	87.7	Confident	86 Å²	86	70.7 Å²	70.7	45%	0.45	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-47.9	-179.9	-179.7	63	0	0	0	111.6	F404 I405 I410 N411 L412	F404-L408 HydrophobicContact CE1-CD2 4.39Å; F404-L408 WeakPolarHBondContact O-CB 3.37Å; F404-L408 PolarHBondContact O-N 3.18Å; I405-L408 PolarHBondContact O-N 3.05Å; L408-I410 PolarHBondContact O-N 3.08Å; L408-N411 PolarHBondContact O-N 3.41Å; L408-L412 VanDerWaalsContact O-CB 3.24Å; L408-L412 WeakPolarHBondContact O-CB 3.45Å; L408-L412 PolarHBondContact O-N 2.96Å
409	G	93.4	Very high	87.1	Confident	40 Å²	40	69.3 Å²	69.3	41%	0.412	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-43	-179.8	0	0	0	0	0	112.7	I405 R406 S413	I405-G409 PolarHBondContact O-N 3.38Å; R406-G409 PolarHBondContact O-N 3.41Å; G409-S413 VanDerWaalsContact O-CB 3.24Å; G409-S413 WeakPolarHBondContact O-CB 3.14Å; G409-S413 PolarHBondContact O-N 2.89Å
410	I	93.3	Very high	86.8	Confident	41 Å²	41	70.5 Å²	70.5	21%	0.21	37%	0.369	C	S	.	.	H	α-helix	trans	-66.6	-44.3	177.4	-69.9	171.7	0	0	0	111	R406 L408 S413 L414 S471 G474	R406-I410 HydrophobicContact CG-CD1 3.73Å; R406-I410 HydrophobicContact CG-CG1 4.5Å; R406-I410 WeakPolarHBondContact O-CB 3.11Å; R406-I410 VanDerWaalsContact O-CG1 3.23Å; R406-I410 WeakPolarHBondContact O-CG1 3.31Å; R406-I410 PolarHBondContact O-N 3.2Å; L408-I410 PolarHBondContact O-N 3.08Å; I410-S413 PolarHBondContact O-N 3.44Å; I410-L414 VanDerWaalsContact O-CB 3.26Å; I410-L414 WeakPolarHBondContact O-CB 3.33Å; I410-L414 PolarHBondContact O-N 3.07Å; I410-S471 WeakPolarHBondContact CG2-OG 3.18Å; I410-G474 VanDerWaalsContact CD1-C 3.4Å; I410-G474 WeakPolarHBondContact CD1-O 3.46Å
411	N	90.8	Very high	86.1	Confident	27 Å²	27	68.5 Å²	68.5	14%	0.144	35%	0.345	C	S	.	.	H	α-helix	trans	-68.8	-37.7	179.7	-76.6	-65.2	0	0	0	112.3	W407 L408 L414 F415 E475 K490	W407-N411 PolarHBondContact NE1-ND2 3.37Å; W407-N411 VanDerWaalsContact NE1-ND2 3.1Å; W407-N411 WeakPolarHBondContact O-CB 3.24Å; W407-N411 PolarHBondContact O-N 3.45Å; W407-N411 PolarHBondContact O-ND2 2.92Å; L408-N411 PolarHBondContact O-N 3.41Å; N411-L414 PolarHBondContact O-N 3.19Å; N411-F415 WeakPolarHBondContact O-CB 3.47Å; N411-F415 PolarHBondContact O-N 3.25Å; N411-E475 PolarHBondContact ND2-OE1 3.47Å; N411-K490 WeakPolarHBondContact OD1-CE 3.45Å; N411-K490 PolarHBondContact OD1-NZ 2.82Å
412	L	89.8	Confident	85.1	Confident	99 Å²	99	62.8 Å²	62.8	52%	0.518	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-46.6	173.5	-177.7	63.9	0	0	0	111.1	L408 L414 F415 I416	L408-L412 VanDerWaalsContact O-CB 3.24Å; L408-L412 WeakPolarHBondContact O-CB 3.45Å; L408-L412 PolarHBondContact O-N 2.96Å; L412-L414 VanDerWaalsContact C-N 3.34Å; L412-L414 PolarHBondContact O-N 3.46Å; L412-F415 PolarHBondContact O-N 3.36Å; L412-I416 HydrophobicContact CD1-CD1 4.28Å; L412-I416 HydrophobicContact CG-CD1 4.06Å; L412-I416 VanDerWaalsContact O-CG1 3.27Å; L412-I416 WeakPolarHBondContact O-CG1 3.34Å; L412-I416 PolarHBondContact O-N 2.88Å
413	S	90.1	Very high	84.1	Confident	74 Å²	74	58.5 Å²	58.5	52%	0.517	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-43	175.8	178.1	0	0	0	0	111.9	G409 I410 I416 L417	G409-S413 VanDerWaalsContact O-CB 3.24Å; G409-S413 WeakPolarHBondContact O-CB 3.14Å; G409-S413 PolarHBondContact O-N 2.89Å; I410-S413 PolarHBondContact O-N 3.44Å; S413-I416 PolarHBondContact O-N 3.42Å; S413-L417 VanDerWaalsContact O-CB 3.29Å; S413-L417 WeakPolarHBondContact O-CB 3.36Å; S413-L417 PolarHBondContact O-N 3.23Å
414	L	89	Confident	82.5	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-47	176.1	-179.6	67	0	0	0	111.3	I410 N411 L412 I416 L417 L418 I467 V468 K490 F494	I410-L414 VanDerWaalsContact O-CB 3.26Å; I410-L414 WeakPolarHBondContact O-CB 3.33Å; I410-L414 PolarHBondContact O-N 3.07Å; N411-L414 PolarHBondContact O-N 3.19Å; L412-L414 VanDerWaalsContact C-N 3.34Å; L412-L414 PolarHBondContact O-N 3.46Å; L414-I416 VanDerWaalsContact C-N 3.34Å; L414-I416 PolarHBondContact O-N 2.85Å; L414-L417 PolarHBondContact O-N 3.26Å; L414-L418 HydrophobicContact CD1-CD1 3.79Å; L414-L418 HydrophobicContact CD1-CD2 4.39Å; L414-L418 HydrophobicContact CD1-CG 3.88Å; L414-L418 HydrophobicContact CD2-CD1 4.49Å; L414-L418 HydrophobicContact CG-CD1 3.85Å; L414-L418 HydrophobicContact CG-CG 4.24Å; L414-L418 WeakPolarHBondContact O-CB 3.41Å; L414-L418 VanDerWaalsContact O-CG 3.25Å; L414-L418 WeakPolarHBondContact O-CG 3.19Å; L414-L418 PolarHBondContact O-N 3.23Å; L414-I467 HydrophobicContact CD1-CG2 3.62Å; L414-V468 HydrophobicContact CD1-CG2 4.46Å; L414-V468 HydrophobicContact CD2-CG2 4.49Å; L414-K490 HydrophobicContact CD2-CD 4.33Å; L414-F494 HydrophobicContact CD2-CD2 3.87Å; L414-F494 HydrophobicContact CD2-CE2 3.35Å; L414-F494 HydrophobicContact CD2-CZ 3.84Å; L414-F494 HydrophobicContact CG-CE2 4.1Å; L414-F494 HydrophobicContact CG-CZ 4.12Å
415	F	84.7	Confident	80.7	Confident	79 Å²	79	54.9 Å²	54.9	35%	0.346	29%	0.287	S	S	.	.	H	α-helix	trans	-59.3	-45.3	178.3	179.3	-93.9	0	0	0	111.8	N411 L412 T419 F494	N411-F415 WeakPolarHBondContact O-CB 3.47Å; N411-F415 PolarHBondContact O-N 3.25Å; L412-F415 PolarHBondContact O-N 3.36Å; F415-T419 WeakPolarHBondContact O-CB 3.28Å; F415-T419 PolarHBondContact O-N 3.45Å; F415-T419 PolarHBondContact O-OG1 2.9Å; F415-F494 HydrophobicContact CB-CE1 4.36Å; F415-F494 HydrophobicContact CD2-CE1 4.1Å
416	I	82.3	Confident	79.2	Confident	80 Å²	80	52 Å²	52	41%	0.41	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-52.7	176.9	-67.9	167.9	0	0	0	110.3	L412 S413 L414 L418 T419 F420	L412-I416 HydrophobicContact CD1-CD1 4.28Å; L412-I416 HydrophobicContact CG-CD1 4.06Å; L412-I416 VanDerWaalsContact O-CG1 3.27Å; L412-I416 WeakPolarHBondContact O-CG1 3.34Å; L412-I416 PolarHBondContact O-N 2.88Å; S413-I416 PolarHBondContact O-N 3.42Å; L414-I416 VanDerWaalsContact C-N 3.34Å; L414-I416 PolarHBondContact O-N 2.85Å; I416-L418 PolarHBondContact O-N 3.02Å; I416-T419 PolarHBondContact O-N 3.35Å; I416-F420 HydrophobicContact CG2-CD2 3.71Å; I416-F420 HydrophobicContact CG2-CE2 3.59Å; I416-F420 VanDerWaalsContact O-CD2 3.22Å; I416-F420 WeakPolarHBondContact O-CD2 3.34Å; I416-F420 PolarHBondContact O-N 3.36Å; I416-F420 VanDerWaalsContact O-N 3.11Å
417	L	82.6	Confident	77.6	Confident	79 Å²	79	48.1 Å²	48.1	41%	0.414	26%	0.26	S	S	.	.	H	α-helix	trans	-56.2	-49.7	-179.3	175.5	63.6	0	0	0	111.6	S413 L414 T419 F420 L421 I467	S413-L417 VanDerWaalsContact O-CB 3.29Å; S413-L417 WeakPolarHBondContact O-CB 3.36Å; S413-L417 PolarHBondContact O-N 3.23Å; L414-L417 PolarHBondContact O-N 3.26Å; L417-T419 VanDerWaalsContact C-N 3.33Å; L417-T419 PolarHBondContact O-N 2.85Å; L417-F420 PolarHBondContact O-N 3.4Å; L417-L421 VanDerWaalsContact O-CB 3.24Å; L417-L421 WeakPolarHBondContact O-CB 3.46Å; L417-L421 PolarHBondContact O-N 2.98Å; L417-I467 HydrophobicContact CD2-CD1 4.45Å; L417-I467 HydrophobicContact CD2-CG2 3.72Å
418	L	77.9	Confident	76.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.1	-37.8	-178.1	-68.2	-177.7	0	0	0	111.5	L414 I416 L421 T422 L464 I467 V468 F494 M498	L414-L418 HydrophobicContact CD1-CD1 3.79Å; L414-L418 HydrophobicContact CD1-CD2 4.39Å; L414-L418 HydrophobicContact CD1-CG 3.88Å; L414-L418 HydrophobicContact CD2-CD1 4.49Å; L414-L418 HydrophobicContact CG-CD1 3.85Å; L414-L418 HydrophobicContact CG-CG 4.24Å; L414-L418 WeakPolarHBondContact O-CB 3.41Å; L414-L418 VanDerWaalsContact O-CG 3.25Å; L414-L418 WeakPolarHBondContact O-CG 3.19Å; L414-L418 PolarHBondContact O-N 3.23Å; I416-L418 PolarHBondContact O-N 3.02Å; L418-L421 PolarHBondContact O-N 3.44Å; L418-T422 VanDerWaalsContact O-CG2 3.29Å; L418-T422 WeakPolarHBondContact O-CG2 3.26Å; L418-T422 PolarHBondContact O-N 2.72Å; L418-T422 PolarHBondContact O-OG1 3.3Å; L418-T422 VanDerWaalsContact O-OG1 3.12Å; L418-L464 HydrophobicContact CD2-CD1 3.63Å; L418-L464 HydrophobicContact CD2-CG 3.86Å; L418-I467 HydrophobicContact CD2-CG2 4.49Å; L418-V468 HydrophobicContact CD1-CG2 4.29Å; L418-F494 HydrophobicContact CD1-CB 3.86Å; L418-F494 HydrophobicContact CD1-CD1 3.46Å; L418-F494 VanDerWaalsContact CD1-CD1 3.46Å; L418-F494 HydrophobicContact CD1-CD2 4.19Å; L418-F494 HydrophobicContact CD1-CE1 3.98Å; L418-F494 HydrophobicContact CD1-CG 3.58Å; L418-M498 HydrophobicContact CB-CE 3.82Å
419	T	72	Confident	74.5	Confident	13 Å²	13	47.8 Å²	47.8	8%	0.08	26%	0.264	C	S	.	.	H	α-helix	trans	-67.9	-36.1	178.9	-51.9	0	0	0	0	112.9	F415 I416 L417 T422 T423 L510	F415-T419 WeakPolarHBondContact O-CB 3.28Å; F415-T419 PolarHBondContact O-N 3.45Å; F415-T419 PolarHBondContact O-OG1 2.9Å; I416-T419 PolarHBondContact O-N 3.35Å; L417-T419 VanDerWaalsContact C-N 3.33Å; L417-T419 PolarHBondContact O-N 2.85Å; T419-T422 PolarHBondContact O-OG1 2.95Å; T419-T423 PolarHBondContact O-OG1 3.15Å; T419-L510 HydrophobicContact CG2-CB 4.1Å; T419-L510 HydrophobicContact CG2-CD1 3.38Å; T419-L510 HydrophobicContact CG2-CG 4.32Å
420	F	71.3	Confident	72.9	Confident	97 Å²	97	48.9 Å²	48.9	43%	0.425	26%	0.263	S	S	.	.	H	α-helix	trans	-69.4	-41.2	172.4	-79.8	-68	0	0	0	112	I416 L417 T422 T423 I426	I416-F420 HydrophobicContact CG2-CD2 3.71Å; I416-F420 HydrophobicContact CG2-CE2 3.59Å; I416-F420 VanDerWaalsContact O-CD2 3.22Å; I416-F420 WeakPolarHBondContact O-CD2 3.34Å; I416-F420 PolarHBondContact O-N 3.36Å; I416-F420 VanDerWaalsContact O-N 3.11Å; L417-F420 PolarHBondContact O-N 3.4Å; F420-T422 VanDerWaalsContact C-N 3.32Å; F420-T422 PolarHBondContact O-N 2.69Å; F420-T423 PolarHBondContact O-N 3.39Å; F420-I426 HydrophobicContact CD1-CG2 3.82Å; F420-I426 HydrophobicContact CE1-CG2 4.01Å
421	L	68.7	Low	71.4	Confident	14 Å²	14	49.6 Å²	49.6	7%	0.073	27%	0.267	C	S	.	.	H	α-helix	trans	-65.9	-32.4	-178.6	-173.8	126.4	0	0	0	112.7	L417 L418 T423 F460 L464 I467	L417-L421 VanDerWaalsContact O-CB 3.24Å; L417-L421 WeakPolarHBondContact O-CB 3.46Å; L417-L421 PolarHBondContact O-N 2.98Å; L418-L421 PolarHBondContact O-N 3.44Å; L421-T423 VanDerWaalsContact C-N 3.3Å; L421-T423 PolarHBondContact O-N 3.12Å; L421-F460 HydrophobicContact CD1-CB 3.94Å; L421-F460 HydrophobicContact CD1-CD1 3.54Å; L421-F460 HydrophobicContact CD1-CD2 4.25Å; L421-F460 HydrophobicContact CD1-CE1 4.07Å; L421-F460 HydrophobicContact CD1-CG 3.65Å; L421-F460 HydrophobicContact CD2-CB 3.69Å; L421-F460 HydrophobicContact CD2-CG 4.29Å; L421-F460 HydrophobicContact CG-CB 3.65Å; L421-F460 HydrophobicContact CG-CD1 4.13Å; L421-F460 HydrophobicContact CG-CD2 4.02Å; L421-F460 HydrophobicContact CG-CG 3.68Å; L421-L464 HydrophobicContact CD2-CD1 4.24Å; L421-I467 HydrophobicContact CD1-CD1 4.23Å
422	T	65.9	Low	69.8	Low	31 Å²	31	52.7 Å²	52.7	19%	0.19	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.5	178.6	57.4	0	0	0	0	114.9	L418 T419 F420 P424 M498	L418-T422 VanDerWaalsContact O-CG2 3.29Å; L418-T422 WeakPolarHBondContact O-CG2 3.26Å; L418-T422 PolarHBondContact O-N 2.72Å; L418-T422 PolarHBondContact O-OG1 3.3Å; L418-T422 VanDerWaalsContact O-OG1 3.12Å; T419-T422 PolarHBondContact O-OG1 2.95Å; F420-T422 VanDerWaalsContact C-N 3.32Å; F420-T422 PolarHBondContact O-N 2.69Å; T422-P424 VanDerWaalsContact C-CD 3.47Å; T422-P424 WeakPolarHBondContact O-CD 3.07Å; T422-M498 HydrophobicContact CG2-CB 4.03Å; T422-M498 HydrophobicContact CG2-CE 3.77Å; T422-M498 HydrophobicContact CG2-CG 3.54Å; T422-M498 HydrophobicContact CG2-SD 3.16Å; T422-M498 WeakPolarHBondContact CG2-SD 3.26Å; T422-M498 PolarHBondContact OG1-SD 3.32Å
423	T	65.6	Low	68.4	Low	2 Å²	2	56.7 Å²	56.7	1%	0.012	30%	0.296	C	S	.	.			trans	-112.7	81	175.9	-46	0	0	0	0	110.9	T419 F420 L421 T425 I426 I427 T508	T419-T423 PolarHBondContact O-OG1 3.15Å; F420-T423 PolarHBondContact O-N 3.39Å; L421-T423 VanDerWaalsContact C-N 3.3Å; L421-T423 PolarHBondContact O-N 3.12Å; T423-T425 WeakPolarHBondContact CG2-OG1 3.5Å; T423-T425 PolarHBondContact O-N 3.13Å; T423-I426 HydrophobicContact CG2-CB 3.79Å; T423-I426 HydrophobicContact CG2-CD1 3.48Å; T423-I426 VanDerWaalsContact CG2-CD1 3.48Å; T423-I426 HydrophobicContact CG2-CG1 3.38Å; T423-I426 PolarHBondContact O-N 3.45Å; T423-I427 PolarHBondContact O-N 2.88Å; T423-T508 WeakPolarHBondContact CB-O 3.35Å; T423-T508 WeakPolarHBondContact CG2-O 3.31Å; T423-T508 PolarHBondContact OG1-O 3.36Å
424	P	56.5	Low	66.9	Low	23 Å²	23	60.1 Å²	60.1	15%	0.149	30%	0.302	C	S	.	.	H	α-helix	trans	-53.6	-31.9	178.4	-24.4	30.6	0	0	0	113.1	T422 I427 I428 L457	T422-P424 VanDerWaalsContact C-CD 3.47Å; T422-P424 WeakPolarHBondContact O-CD 3.07Å; P424-I427 PolarHBondContact O-N 3.44Å; P424-I428 VanDerWaalsContact O-CG1 3.26Å; P424-I428 WeakPolarHBondContact O-CG1 3.31Å; P424-I428 PolarHBondContact O-N 3.13Å; P424-L457 HydrophobicContact CG-CB 4.25Å; P424-L457 HydrophobicContact CG-CD1 3.72Å; P424-L457 HydrophobicContact CG-CG 4.48Å
425	T	53.9	Low	65.3	Low	67 Å²	67	65.8 Å²	65.8	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-67.8	-32.6	178.9	54.9	0	0	0	0	113.3	T423 N429	T423-T425 WeakPolarHBondContact CG2-OG1 3.5Å; T423-T425 PolarHBondContact O-N 3.13Å; T425-N429 VanDerWaalsContact O-CB 3.23Å; T425-N429 WeakPolarHBondContact O-CB 3.5Å; T425-N429 PolarHBondContact O-N 3.44Å; T425-N429 PolarHBondContact O-ND2 3.44Å
426	I	58.8	Low	64	Low	31 Å²	31	66.7 Å²	66.7	16%	0.159	35%	0.345	C	S	.	.	H	α-helix	trans	-68.5	-43.7	173.1	-74	170.3	0	0	0	108.9	F420 T423 N429 V430 L510	F420-I426 HydrophobicContact CD1-CG2 3.82Å; F420-I426 HydrophobicContact CE1-CG2 4.01Å; T423-I426 HydrophobicContact CG2-CB 3.79Å; T423-I426 HydrophobicContact CG2-CD1 3.48Å; T423-I426 VanDerWaalsContact CG2-CD1 3.48Å; T423-I426 HydrophobicContact CG2-CG1 3.38Å; T423-I426 PolarHBondContact O-N 3.45Å; I426-N429 PolarHBondContact O-N 2.83Å; I426-V430 HydrophobicContact CG2-CG2 4.11Å; I426-V430 VanDerWaalsContact O-CB 3.27Å; I426-V430 WeakPolarHBondContact O-CB 3.34Å; I426-V430 WeakPolarHBondContact O-CG2 3.32Å; I426-V430 PolarHBondContact O-N 3.19Å; I426-L510 HydrophobicContact CD1-CB 4.21Å
427	I	59.8	Low	62.6	Low	36 Å²	36	64.1 Å²	64.1	19%	0.185	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-47.3	178.4	-63.2	175.2	0	0	0	110	T423 P424 V430 I431 L456 F460	T423-I427 PolarHBondContact O-N 2.88Å; P424-I427 PolarHBondContact O-N 3.44Å; I427-V430 PolarHBondContact O-N 2.91Å; I427-I431 HydrophobicContact CG2-CD1 3.55Å; I427-I431 HydrophobicContact CG2-CG1 4.29Å; I427-I431 WeakPolarHBondContact O-CB 3.36Å; I427-I431 WeakPolarHBondContact O-CG1 3.38Å; I427-I431 PolarHBondContact O-N 3.39Å; I427-L456 HydrophobicContact CG2-CD2 4.27Å; I427-F460 HydrophobicContact CD1-CD2 4.44Å; I427-F460 HydrophobicContact CD1-CE2 3.74Å
428	I	61.4	Low	61.3	Low	59 Å²	59	63.6 Å²	63.6	30%	0.303	34%	0.335	S	S	.	.	H	α-helix	trans	-61	-49.1	177.1	-67.2	164.2	0	0	0	110.9	P424 V430 I431 D432 P453	P424-I428 VanDerWaalsContact O-CG1 3.26Å; P424-I428 WeakPolarHBondContact O-CG1 3.31Å; P424-I428 PolarHBondContact O-N 3.13Å; I428-V430 VanDerWaalsContact C-N 3.29Å; I428-V430 PolarHBondContact O-N 3.39Å; I428-I431 PolarHBondContact O-N 3.04Å; I428-D432 VanDerWaalsContact O-CB 3.32Å; I428-D432 WeakPolarHBondContact O-CB 3.35Å; I428-D432 PolarHBondContact O-N 3.25Å; I428-P453 HydrophobicContact CD1-CB 3.95Å; I428-P453 HydrophobicContact CD1-CG 3.85Å
429	N	56.6	Low	60.2	Low	106 Å²	106	67.5 Å²	67.5	57%	0.567	36%	0.361	S	S	*	.	H	α-helix	trans	-63.4	-33.5	179.7	-72.7	-18.2	0	0	0	113	T425 I426 K433	T425-N429 VanDerWaalsContact O-CB 3.23Å; T425-N429 WeakPolarHBondContact O-CB 3.5Å; T425-N429 PolarHBondContact O-N 3.44Å; T425-N429 PolarHBondContact O-ND2 3.44Å; I426-N429 PolarHBondContact O-N 2.83Å; N429-K433 VanDerWaalsContact O-CB 3.23Å; N429-K433 WeakPolarHBondContact O-CB 3.36Å; N429-K433 PolarHBondContact O-N 3.46Å
430	V	60.1	Low	59.4	Low	63 Å²	63	70.7 Å²	70.7	38%	0.382	38%	0.376	S	S	.	.	H	α-helix	trans	-73.1	-45.3	176.4	169.4	0	0	0	0	110.6	I426 I427 I428 D432 K433 F434	I426-V430 HydrophobicContact CG2-CG2 4.11Å; I426-V430 VanDerWaalsContact O-CB 3.27Å; I426-V430 WeakPolarHBondContact O-CB 3.34Å; I426-V430 WeakPolarHBondContact O-CG2 3.32Å; I426-V430 PolarHBondContact O-N 3.19Å; I427-V430 PolarHBondContact O-N 2.91Å; I428-V430 VanDerWaalsContact C-N 3.29Å; I428-V430 PolarHBondContact O-N 3.39Å; V430-D432 VanDerWaalsContact C-N 3.27Å; V430-D432 PolarHBondContact O-N 3.44Å; V430-K433 PolarHBondContact O-N 3.33Å; V430-F434 HydrophobicContact CG1-CD2 3.63Å; V430-F434 HydrophobicContact CG1-CE2 3.53Å; V430-F434 WeakPolarHBondContact O-CD2 3.25Å; V430-F434 PolarHBondContact O-N 3.13Å
431	I	61.3	Low	58.6	Low	57 Å²	57	74.7 Å²	74.7	29%	0.292	39%	0.39	S	S	.	.	H	α-helix	trans	-59.6	-42	176	-70.7	169.5	0	0	0	110.5	I427 I428 F434 N435 V436 T437	I427-I431 HydrophobicContact CG2-CD1 3.55Å; I427-I431 HydrophobicContact CG2-CG1 4.29Å; I427-I431 WeakPolarHBondContact O-CB 3.36Å; I427-I431 WeakPolarHBondContact O-CG1 3.38Å; I427-I431 PolarHBondContact O-N 3.39Å; I428-I431 PolarHBondContact O-N 3.04Å; I431-F434 PolarHBondContact O-N 3.27Å; I431-N435 PolarHBondContact O-N 2.86Å; I431-V436 HydrophobicContact CG2-CB 4.32Å; I431-V436 PolarHBondContact O-N 3.15Å; I431-T437 HydrophobicContact CG2-CG2 3.82Å
432	D	58.5	Low	58.1	Low	91 Å²	91	80.7 Å²	80.7	49%	0.487	42%	0.422	S	S	.	.	H	α-helix	trans	-67.6	-40.2	178.5	-155.9	45.3	0	0	0	111.9	I428 V430 F434 N435 T437	I428-D432 VanDerWaalsContact O-CB 3.32Å; I428-D432 WeakPolarHBondContact O-CB 3.35Å; I428-D432 PolarHBondContact O-N 3.25Å; V430-D432 VanDerWaalsContact C-N 3.27Å; V430-D432 PolarHBondContact O-N 3.44Å; D432-F434 VanDerWaalsContact C-N 3.28Å; D432-F434 PolarHBondContact O-N 2.73Å; D432-N435 PolarHBondContact O-N 2.82Å; D432-T437 WeakPolarHBondContact CA-OG1 3.47Å; D432-T437 PolarHBondContact OD1-OG1 2.97Å
433	K	59.6	Low	57.6	Low	183 Å²	183	84.5 Å²	84.5	80%	0.796	44%	0.441	S	S	*	.	H	α-helix	trans	-63.6	-29.3	173.3	-173.4	175.4	-178.2	-179	0	113.5	N429 V430 N435	N429-K433 VanDerWaalsContact O-CB 3.23Å; N429-K433 WeakPolarHBondContact O-CB 3.36Å; N429-K433 PolarHBondContact O-N 3.46Å; V430-K433 PolarHBondContact O-N 3.33Å; K433-N435 VanDerWaalsContact C-N 3.28Å
434	F	59.4	Low	57.1	Low	147 Å²	147	91 Å²	91	65%	0.645	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	7.3	175.2	-74.7	-65.9	0	0	0	113.6	V430 I431 D432 V436	V430-F434 HydrophobicContact CG1-CD2 3.63Å; V430-F434 HydrophobicContact CG1-CE2 3.53Å; V430-F434 WeakPolarHBondContact O-CD2 3.25Å; V430-F434 PolarHBondContact O-N 3.13Å; I431-F434 PolarHBondContact O-N 3.27Å; D432-F434 VanDerWaalsContact C-N 3.28Å; D432-F434 PolarHBondContact O-N 2.73Å; F434-V436 HydrophobicContact CB-CG2 3.98Å; F434-V436 WeakPolarHBondContact O-CG2 3.39Å; F434-V436 PolarHBondContact O-N 3.42Å
435	N	54.9	Low	57.2	Low	123 Å²	123	91.7 Å²	91.7	66%	0.658	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	22.1	176.2	-142.8	16.3	0	0	0	114.4	I431 D432 K433 T437	I431-N435 PolarHBondContact O-N 2.86Å; D432-N435 PolarHBondContact O-N 2.82Å; K433-N435 VanDerWaalsContact C-N 3.28Å; N435-T437 PolarHBondContact O-N 3.26Å
436	V	56.7	Low	57.3	Low	99 Å²	99	92.6 Å²	92.6	60%	0.6	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-11.1	179	-173.1	0	0	0	0	111.1	I431 F434 P439	I431-V436 HydrophobicContact CG2-CB 4.32Å; I431-V436 PolarHBondContact O-N 3.15Å; F434-V436 HydrophobicContact CB-CG2 3.98Å; F434-V436 WeakPolarHBondContact O-CG2 3.39Å; F434-V436 PolarHBondContact O-N 3.42Å; V436-P439 WeakPolarHBondContact O-CD 3.33Å
437	T	53.8	Low	57.1	Low	26 Å²	26	97 Å²	97	16%	0.16	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.6	178.5	28.1	0	0	0	0	115.2	I431 D432 N435 P439 I440 Y441	I431-T437 HydrophobicContact CG2-CG2 3.82Å; D432-T437 WeakPolarHBondContact CA-OG1 3.47Å; D432-T437 PolarHBondContact OD1-OG1 2.97Å; N435-T437 PolarHBondContact O-N 3.26Å; T437-P439 VanDerWaalsContact C-N 3.31Å; T437-I440 HydrophobicContact CG2-CD1 4.09Å; T437-I440 WeakPolarHBondContact O-CA 3.44Å; T437-I440 WeakPolarHBondContact O-CB 3.32Å; T437-I440 PolarHBondContact O-N 2.92Å; T437-Y441 PolarHBondContact O-N 3.27Å; T437-Y441 VanDerWaalsContact O-N 3.16Å
438	S	55.3	Low	57.1	Low	67 Å²	67	98.5 Å²	98.5	47%	0.469	52%	0.518	S	S	.	.	H	α-helix	trans	-52.7	-37.2	-179.8	-165.4	0	0	0	0	114.5	I440	S438-I440 PolarHBondContact O-N 3.37Å
439	P	54.8	Low	56.8	Low	82 Å²	82	99.3 Å²	99.3	53%	0.532	53%	0.529	S	S	.	.	H	α-helix	trans	-72.6	-23.3	173.3	-15.4	30.4	0	0	0	114.6	V436 T437	V436-P439 WeakPolarHBondContact O-CD 3.33Å; T437-P439 VanDerWaalsContact C-N 3.31Å
440	I	54.8	Low	56.8	Low	80 Å²	80	101 Å²	101	41%	0.41	53%	0.533	S	S	.	.	H	α-helix	trans	-82.3	-34	-175.9	-61.4	170.5	0	0	0	110.5	T437 S438 N442 L443 I448	T437-I440 HydrophobicContact CG2-CD1 4.09Å; T437-I440 WeakPolarHBondContact O-CA 3.44Å; T437-I440 WeakPolarHBondContact O-CB 3.32Å; T437-I440 PolarHBondContact O-N 2.92Å; S438-I440 PolarHBondContact O-N 3.37Å; I440-N442 PolarHBondContact O-N 2.98Å; I440-L443 CarbonylContact O-C 3.56Å; I440-L443 PolarHBondContact O-N 3.42Å; I440-I448 HydrophobicContact CG2-CG2 4.07Å
441	Y	55.1	Low	56.9	Low	181 Å²	181	103.9 Å²	103.9	71%	0.71	54%	0.541	S	S	*	.	H	α-helix	trans	-63.4	-29.3	174.9	-135	-83.7	0	0	0	112.3	T437 L443	T437-Y441 PolarHBondContact O-N 3.27Å; T437-Y441 VanDerWaalsContact O-N 3.16Å; Y441-L443 VanDerWaalsContact C-N 3.29Å
442	N	57.2	Low	57	Low	141 Å²	141	105.8 Å²	105.8	75%	0.754	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.6	173.9	-69	-22.3	0	0	0	113.2	I440	I440-N442 PolarHBondContact O-N 2.98Å
443	L	55.9	Low	56.9	Low	111 Å²	111	103.1 Å²	103.1	58%	0.581	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	34.3	178.3	-70.9	170.7	0	0	0	111.9	I440 Y441 S445 I448	I440-L443 CarbonylContact O-C 3.56Å; I440-L443 PolarHBondContact O-N 3.42Å; Y441-L443 VanDerWaalsContact C-N 3.29Å; L443-S445 WeakPolarHBondContact O-CB 3.5Å; L443-S445 PolarHBondContact O-N 3Å; L443-S445 PolarHBondContact O-OG 2.7Å; L443-S445 VanDerWaalsContact O-OG 3.09Å; L443-I448 HydrophobicContact CB-CD1 4.21Å
444	N	54.4	Low	56.8	Low	138 Å²	138	97.1 Å²	97.1	74%	0.738	51%	0.514	S	S	*	.			trans	-50	61.5	-172.7	-159.9	21.5	0	0	0	115.2
445	S	59.7	Low	57.1	Low	38 Å²	38	94.4 Å²	94.4	27%	0.266	51%	0.506	S	S	.	.			trans	-103.5	128.8	179.2	60.2	0	0	0	0	107	L443 I447 I448 S449	L443-S445 WeakPolarHBondContact O-CB 3.5Å; L443-S445 PolarHBondContact O-N 3Å; L443-S445 PolarHBondContact O-OG 2.7Å; L443-S445 VanDerWaalsContact O-OG 3.09Å; S445-I447 PolarHBondContact O-N 3.32Å; S445-I448 PolarHBondContact O-N 3.06Å; S445-I448 VanDerWaalsContact OG-CD1 3.32Å; S445-I448 WeakPolarHBondContact OG-CD1 3.47Å; S445-I448 VanDerWaalsContact OG-CG1 3.25Å; S445-I448 WeakPolarHBondContact OG-CG1 3.42Å; S445-S449 PolarHBondContact O-N 3Å
446	P	56.1	Low	57.5	Low	85 Å²	85	90 Å²	90	55%	0.552	48%	0.482	S	S	*	.	H	α-helix	trans	-59.3	-20.7	178.7	22.2	-31.4	0	0	0	112.1	S449 Q450	P446-S449 PolarHBondContact O-OG 3.23Å; P446-Q450 WeakPolarHBondContact O-CB 3.05Å; P446-Q450 WeakPolarHBondContact O-CG 3.49Å; P446-Q450 PolarHBondContact O-N 3.42Å
447	I	54.5	Low	57.8	Low	125 Å²	125	89 Å²	89	64%	0.641	47%	0.473	S	S	*	.	H	α-helix	trans	-66.4	-50.7	174.5	-58.9	169.9	0	0	0	110.4	S445 F451	S445-I447 PolarHBondContact O-N 3.32Å; I447-F451 HydrophobicContact CG2-CB 4.47Å; I447-F451 WeakPolarHBondContact O-CA 3.41Å; I447-F451 WeakPolarHBondContact O-CB 3.3Å; I447-F451 PolarHBondContact O-N 2.9Å
448	I	58.7	Low	58.4	Low	67 Å²	67	96.9 Å²	96.9	34%	0.344	50%	0.5	S	S	.	.	H	α-helix	trans	-69	-40.5	-176.5	-65.1	171.8	0	0	0	111	I440 L443 S445 Q450 F452	I440-I448 HydrophobicContact CG2-CG2 4.07Å; L443-I448 HydrophobicContact CB-CD1 4.21Å; S445-I448 PolarHBondContact O-N 3.06Å; S445-I448 VanDerWaalsContact OG-CD1 3.32Å; S445-I448 WeakPolarHBondContact OG-CD1 3.47Å; S445-I448 VanDerWaalsContact OG-CG1 3.25Å; S445-I448 WeakPolarHBondContact OG-CG1 3.42Å; I448-Q450 PolarHBondContact O-N 3.38Å; I448-F452 WeakPolarHBondContact O-CB 3.47Å; I448-F452 PolarHBondContact O-N 3.48Å; I448-F452 VanDerWaalsContact O-N 3.17Å
449	S	56.3	Low	59.1	Low	76 Å²	76	97 Å²	97	53%	0.531	50%	0.501	S	S	.	.	H	α-helix	trans	-71.9	-28.9	-177.2	59	0	0	0	0	114.1	S445 P446 P453	S445-S449 PolarHBondContact O-N 3Å; P446-S449 PolarHBondContact O-OG 3.23Å; S449-P453 WeakPolarHBondContact O-CD 3.3Å
450	Q	55	Low	59.8	Low	140 Å²	140	95.4 Å²	95.4	65%	0.654	49%	0.486	S	S	*	.	H	α-helix	trans	-97.9	-34.3	178.9	-62.3	179.6	-1.6	0	0	113.4	P446 I448 T454	P446-Q450 WeakPolarHBondContact O-CB 3.05Å; P446-Q450 WeakPolarHBondContact O-CG 3.49Å; P446-Q450 PolarHBondContact O-N 3.42Å; I448-Q450 PolarHBondContact O-N 3.38Å; Q450-T454 PolarHBondContact O-OG1 3.43Å
451	F	63.8	Low	60.4	Low	124 Å²	124	95.3 Å²	95.3	54%	0.544	49%	0.492	S	S	.	.	H	α-helix	trans	-81.1	-37	-177.3	-168.5	-105.3	0	0	0	112.4	I447 T454 L455	I447-F451 HydrophobicContact CG2-CB 4.47Å; I447-F451 WeakPolarHBondContact O-CA 3.41Å; I447-F451 WeakPolarHBondContact O-CB 3.3Å; I447-F451 PolarHBondContact O-N 2.9Å; F451-T454 PolarHBondContact O-N 3.47Å; F451-L455 HydrophobicContact CD1-CB 4.29Å; F451-L455 HydrophobicContact CE1-CB 4.15Å; F451-L455 HydrophobicContact CE1-CD1 3.83Å; F451-L455 HydrophobicContact CE1-CD2 4.3Å; F451-L455 HydrophobicContact CE1-CG 4.31Å; F451-L455 HydrophobicContact CZ-CD1 4.02Å; F451-L455 WeakPolarHBondContact O-CB 3.43Å; F451-L455 PolarHBondContact O-N 3.44Å
452	F	63.3	Low	61.3	Low	98 Å²	98	90.2 Å²	90.2	43%	0.43	49%	0.487	S	S	.	.	H	α-helix	trans	-61.3	-47.3	-176.2	-178.4	-96.7	0	0	0	113.4	I448 T454 L455 L456	I448-F452 WeakPolarHBondContact O-CB 3.47Å; I448-F452 PolarHBondContact O-N 3.48Å; I448-F452 VanDerWaalsContact O-N 3.17Å; F452-T454 VanDerWaalsContact C-N 3.28Å; F452-T454 PolarHBondContact O-N 2.99Å; F452-L455 PolarHBondContact O-N 2.97Å; F452-L456 HydrophobicContact CE1-CD2 4.46Å; F452-L456 WeakPolarHBondContact O-CB 3.36Å; F452-L456 PolarHBondContact O-N 2.9Å
453	P	55.3	Low	62.2	Low	35 Å²	35	87.2 Å²	87.2	23%	0.227	47%	0.471	C	S	.	.	H	α-helix	trans	-61.9	-36.5	176.2	-23.3	35.5	0	0	0	112.9	I428 S449 L457	I428-P453 HydrophobicContact CD1-CB 3.95Å; I428-P453 HydrophobicContact CD1-CG 3.85Å; S449-P453 WeakPolarHBondContact O-CD 3.3Å; P453-L457 WeakPolarHBondContact O-CB 3.31Å; P453-L457 PolarHBondContact O-N 3.01Å
454	T	58.6	Low	63.3	Low	56 Å²	56	82.4 Å²	82.4	34%	0.344	45%	0.446	S	S	.	.	H	α-helix	trans	-72	-45.5	-178.7	-50	0	0	0	0	111.4	Q450 F451 F452 L456 L457 W458	Q450-T454 PolarHBondContact O-OG1 3.43Å; F451-T454 PolarHBondContact O-N 3.47Å; F452-T454 VanDerWaalsContact C-N 3.28Å; F452-T454 PolarHBondContact O-N 2.99Å; T454-L456 VanDerWaalsContact C-N 3.34Å; T454-L457 PolarHBondContact O-N 2.96Å; T454-W458 PolarHBondContact O-N 3.3Å
455	L	64.6	Low	64.4	Low	91 Å²	91	77.4 Å²	77.4	48%	0.476	42%	0.421	S	S	.	.	H	α-helix	trans	-62	-42.1	174	-174.7	84.8	0	0	0	111.2	F451 F452 W458 S459	F451-L455 HydrophobicContact CD1-CB 4.29Å; F451-L455 HydrophobicContact CE1-CB 4.15Å; F451-L455 HydrophobicContact CE1-CD1 3.83Å; F451-L455 HydrophobicContact CE1-CD2 4.3Å; F451-L455 HydrophobicContact CE1-CG 4.31Å; F451-L455 HydrophobicContact CZ-CD1 4.02Å; F451-L455 WeakPolarHBondContact O-CB 3.43Å; F451-L455 PolarHBondContact O-N 3.44Å; F452-L455 PolarHBondContact O-N 2.97Å; L455-W458 PolarHBondContact O-N 3.3Å; L455-S459 VanDerWaalsContact O-CB 3.28Å; L455-S459 WeakPolarHBondContact O-CB 3.24Å; L455-S459 PolarHBondContact O-N 2.88Å
456	L	63.7	Low	65.5	Low	30 Å²	30	78.3 Å²	78.3	16%	0.157	43%	0.425	C	S	.	.	H	α-helix	trans	-60.8	-46.6	177.9	-171.6	71.2	0	0	0	110.9	I427 F452 T454 S459 F460	I427-L456 HydrophobicContact CG2-CD2 4.27Å; F452-L456 HydrophobicContact CE1-CD2 4.46Å; F452-L456 WeakPolarHBondContact O-CB 3.36Å; F452-L456 PolarHBondContact O-N 2.9Å; T454-L456 VanDerWaalsContact C-N 3.34Å; L456-S459 PolarHBondContact O-N 2.88Å; L456-F460 HydrophobicContact CD1-CD2 4.02Å; L456-F460 HydrophobicContact CD1-CE1 4.34Å; L456-F460 HydrophobicContact CD1-CE2 3.3Å; L456-F460 HydrophobicContact CD1-CZ 3.49Å; L456-F460 VanDerWaalsContact CD1-CZ 3.49Å; L456-F460 HydrophobicContact CD2-CE2 3.89Å; L456-F460 HydrophobicContact CG-CD2 3.74Å; L456-F460 HydrophobicContact CG-CE2 3.35Å; L456-F460 HydrophobicContact CG-CZ 4.09Å; L456-F460 VanDerWaalsContact O-CB 3.31Å; L456-F460 WeakPolarHBondContact O-CB 3.17Å; L456-F460 VanDerWaalsContact O-CD2 3.29Å; L456-F460 WeakPolarHBondContact O-CD2 3.22Å; L456-F460 VanDerWaalsContact O-CG 3.3Å; L456-F460 WeakPolarHBondContact O-CG 3.2Å; L456-F460 PolarHBondContact O-N 3.36Å
457	L	63.3	Low	66.9	Low	77 Å²	77	75.8 Å²	75.8	40%	0.403	41%	0.406	S	S	.	.	H	α-helix	trans	-61.4	-46	176.6	-177.9	69.4	0	0	0	112	P424 P453 T454 F460 S461	P424-L457 HydrophobicContact CG-CB 4.25Å; P424-L457 HydrophobicContact CG-CD1 3.72Å; P424-L457 HydrophobicContact CG-CG 4.48Å; P453-L457 WeakPolarHBondContact O-CB 3.31Å; P453-L457 PolarHBondContact O-N 3.01Å; T454-L457 PolarHBondContact O-N 2.96Å; L457-F460 PolarHBondContact O-N 3.08Å; L457-S461 WeakPolarHBondContact O-CB 3.42Å; L457-S461 PolarHBondContact O-N 3.43Å
458	W	65.5	Low	68.4	Low	192 Å²	192	69.9 Å²	69.9	73%	0.727	38%	0.376	S	S	*	.	H	α-helix	trans	-64.2	-44	178.6	-80.4	21.8	0	0	0	112.3	T454 L455 F460 S461 A462	T454-W458 PolarHBondContact O-N 3.3Å; L455-W458 PolarHBondContact O-N 3.3Å; W458-F460 PolarHBondContact O-N 2.92Å; W458-S461 PolarHBondContact O-N 2.85Å; W458-A462 WeakPolarHBondContact O-CB 3.39Å; W458-A462 PolarHBondContact O-N 2.87Å
459	S	69.8	Low	69.7	Low	71 Å²	71	69.6 Å²	69.6	50%	0.497	37%	0.371	S	S	.	.	H	α-helix	trans	-60.9	-45.2	177.2	-177.3	0	0	0	0	111.6	L455 L456 A462 L463	L455-S459 VanDerWaalsContact O-CB 3.28Å; L455-S459 WeakPolarHBondContact O-CB 3.24Å; L455-S459 PolarHBondContact O-N 2.88Å; L456-S459 PolarHBondContact O-N 2.88Å; S459-A462 PolarHBondContact O-N 3.44Å; S459-L463 WeakPolarHBondContact O-CB 3.47Å; S459-L463 PolarHBondContact O-N 2.76Å
460	F	70.6	Confident	71.3	Confident	48 Å²	48	72.2 Å²	72.2	21%	0.211	37%	0.373	C	S	.	.	H	α-helix	trans	-69.6	-37.9	178.9	-76.2	-25.3	0	0	0	113.7	L421 I427 L456 L457 W458 A462 L463 L464	L421-F460 HydrophobicContact CD1-CB 3.94Å; L421-F460 HydrophobicContact CD1-CD1 3.54Å; L421-F460 HydrophobicContact CD1-CD2 4.25Å; L421-F460 HydrophobicContact CD1-CE1 4.07Å; L421-F460 HydrophobicContact CD1-CG 3.65Å; L421-F460 HydrophobicContact CD2-CB 3.69Å; L421-F460 HydrophobicContact CD2-CG 4.29Å; L421-F460 HydrophobicContact CG-CB 3.65Å; L421-F460 HydrophobicContact CG-CD1 4.13Å; L421-F460 HydrophobicContact CG-CD2 4.02Å; L421-F460 HydrophobicContact CG-CG 3.68Å; I427-F460 HydrophobicContact CD1-CD2 4.44Å; I427-F460 HydrophobicContact CD1-CE2 3.74Å; L456-F460 HydrophobicContact CD1-CD2 4.02Å; L456-F460 HydrophobicContact CD1-CE1 4.34Å; L456-F460 HydrophobicContact CD1-CE2 3.3Å; L456-F460 HydrophobicContact CD1-CZ 3.49Å; L456-F460 VanDerWaalsContact CD1-CZ 3.49Å; L456-F460 HydrophobicContact CD2-CE2 3.89Å; L456-F460 HydrophobicContact CG-CD2 3.74Å; L456-F460 HydrophobicContact CG-CE2 3.35Å; L456-F460 HydrophobicContact CG-CZ 4.09Å; L456-F460 VanDerWaalsContact O-CB 3.31Å; L456-F460 WeakPolarHBondContact O-CB 3.17Å; L456-F460 VanDerWaalsContact O-CD2 3.29Å; L456-F460 WeakPolarHBondContact O-CD2 3.22Å; L456-F460 VanDerWaalsContact O-CG 3.3Å; L456-F460 WeakPolarHBondContact O-CG 3.2Å; L456-F460 PolarHBondContact O-N 3.36Å; L457-F460 PolarHBondContact O-N 3.08Å; W458-F460 PolarHBondContact O-N 2.92Å; F460-A462 VanDerWaalsContact C-N 3.31Å; F460-A462 PolarHBondContact O-N 3.39Å; F460-L463 PolarHBondContact O-N 3.21Å; F460-L464 PolarHBondContact O-N 3.39Å; F460-L464 VanDerWaalsContact O-N 3.08Å
461	S	67.9	Low	73	Confident	77 Å²	77	66.1 Å²	66.1	54%	0.538	35%	0.346	S	S	.	.	H	α-helix	trans	-61.6	-40.3	172.8	-173.9	0	0	0	0	111.6	L457 W458 L464	L457-S461 WeakPolarHBondContact O-CB 3.42Å; L457-S461 PolarHBondContact O-N 3.43Å; W458-S461 PolarHBondContact O-N 2.85Å; S461-L464 PolarHBondContact O-N 3.34Å
462	A	72.3	Confident	74.3	Confident	75 Å²	75	60.2 Å²	60.2	62%	0.62	32%	0.32	S	S	*	.	H	α-helix	trans	-68.8	-31	175.5	0	0	0	0	0	113.3	W458 S459 F460	W458-A462 WeakPolarHBondContact O-CB 3.39Å; W458-A462 PolarHBondContact O-N 2.87Å; S459-A462 PolarHBondContact O-N 3.44Å; F460-A462 VanDerWaalsContact C-N 3.31Å; F460-A462 PolarHBondContact O-N 3.39Å
463	L	76.6	Confident	75.5	Confident	78 Å²	78	58.6 Å²	58.6	41%	0.408	32%	0.315	S	S	.	.	H	α-helix	trans	-79.2	-22.8	179.6	-170.9	63.5	0	0	0	113.1	S459 F460 T466 I467	S459-L463 WeakPolarHBondContact O-CB 3.47Å; S459-L463 PolarHBondContact O-N 2.76Å; F460-L463 PolarHBondContact O-N 3.21Å; L463-T466 WeakPolarHBondContact O-CB 3.33Å; L463-T466 PolarHBondContact O-N 2.77Å; L463-T466 VanDerWaalsContact O-N 3.11Å; L463-I467 HydrophobicContact CB-CD1 4.48Å; L463-I467 HydrophobicContact CD2-CD1 3.93Å; L463-I467 HydrophobicContact CD2-CG1 4.39Å; L463-I467 HydrophobicContact CG-CD1 3.81Å; L463-I467 HydrophobicContact CG-CG1 3.96Å; L463-I467 PolarHBondContact O-N 2.97Å
464	L	78.3	Confident	77	Confident	10 Å²	10	57.9 Å²	57.9	5%	0.052	31%	0.314	C	S	.	.	H	α-helix	trans	-57.5	-47.1	-171.3	-178.4	139.7	0	0	0	114.5	L418 L421 F460 S461 T466 I467 V468 L495 M498	L418-L464 HydrophobicContact CD2-CD1 3.63Å; L418-L464 HydrophobicContact CD2-CG 3.86Å; L421-L464 HydrophobicContact CD2-CD1 4.24Å; F460-L464 PolarHBondContact O-N 3.39Å; F460-L464 VanDerWaalsContact O-N 3.08Å; S461-L464 PolarHBondContact O-N 3.34Å; L464-T466 VanDerWaalsContact C-N 3.27Å; L464-T466 PolarHBondContact O-N 3.38Å; L464-I467 PolarHBondContact O-N 3.49Å; L464-V468 WeakPolarHBondContact O-CG2 3.35Å; L464-V468 PolarHBondContact O-N 2.79Å; L464-V468 VanDerWaalsContact O-N 3.09Å; L464-L495 HydrophobicContact CD2-CD2 3.33Å; L464-L495 HydrophobicContact CD2-CG 4.14Å; L464-M498 HydrophobicContact CD1-CG 4.24Å
465	P	78.3	Confident	78.5	Confident	33 Å²	33	55.2 Å²	55.2	21%	0.214	30%	0.298	C	S	.	.	H	α-helix	trans	-60.1	-37.6	176.2	-24.6	35.8	0	0	0	112.8	V468 Y469 L491 W599	P465-V468 PolarHBondContact O-N 2.86Å; P465-Y469 WeakPolarHBondContact O-CB 3.4Å; P465-Y469 PolarHBondContact O-N 2.94Å; P465-L491 HydrophobicContact CB-CD1 4.09Å; P465-W599 HydrophobicContact CG-CE3 4.24Å; P465-W599 HydrophobicContact CG-CZ3 3.77Å
466	T	82.1	Confident	79.8	Confident	57 Å²	57	51.1 Å²	51.1	35%	0.35	28%	0.278	S	S	.	.	H	α-helix	trans	-66.9	-38.8	178.2	-54.1	0	0	0	0	111.7	L463 L464 Y469 F470	L463-T466 WeakPolarHBondContact O-CB 3.33Å; L463-T466 PolarHBondContact O-N 2.77Å; L463-T466 VanDerWaalsContact O-N 3.11Å; L464-T466 VanDerWaalsContact C-N 3.27Å; L464-T466 PolarHBondContact O-N 3.38Å; T466-Y469 WeakPolarHBondContact O-CB 3.37Å; T466-Y469 PolarHBondContact O-N 2.84Å; T466-F470 HydrophobicContact CG2-CD2 3.75Å; T466-F470 HydrophobicContact CG2-CE2 3.44Å; T466-F470 VanDerWaalsContact CG2-CE2 3.44Å; T466-F470 WeakPolarHBondContact O-CD2 3.46Å; T466-F470 PolarHBondContact O-N 2.87Å
467	I	86.4	Confident	81	Confident	31 Å²	31	50.1 Å²	50.1	16%	0.159	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-44.7	174.9	-66.6	166.5	0	0	0	110.5	L414 L417 L418 L421 L463 L464 Y469 F470 S471	L414-I467 HydrophobicContact CD1-CG2 3.62Å; L417-I467 HydrophobicContact CD2-CD1 4.45Å; L417-I467 HydrophobicContact CD2-CG2 3.72Å; L418-I467 HydrophobicContact CD2-CG2 4.49Å; L421-I467 HydrophobicContact CD1-CD1 4.23Å; L463-I467 HydrophobicContact CB-CD1 4.48Å; L463-I467 HydrophobicContact CD2-CD1 3.93Å; L463-I467 HydrophobicContact CD2-CG1 4.39Å; L463-I467 HydrophobicContact CG-CD1 3.81Å; L463-I467 HydrophobicContact CG-CG1 3.96Å; L463-I467 PolarHBondContact O-N 2.97Å; L464-I467 PolarHBondContact O-N 3.49Å; I467-Y469 VanDerWaalsContact C-N 3.31Å; I467-Y469 PolarHBondContact O-N 3.45Å; I467-F470 PolarHBondContact O-N 2.84Å; I467-S471 WeakPolarHBondContact O-CB 3.37Å; I467-S471 PolarHBondContact O-N 3.32Å
468	V	86.9	Confident	82.2	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-41	177.4	176.1	0	0	0	0	110.9	L414 L418 L464 P465 S471 T472 K490 L491	L414-V468 HydrophobicContact CD1-CG2 4.46Å; L414-V468 HydrophobicContact CD2-CG2 4.49Å; L418-V468 HydrophobicContact CD1-CG2 4.29Å; L464-V468 WeakPolarHBondContact O-CG2 3.35Å; L464-V468 PolarHBondContact O-N 2.79Å; L464-V468 VanDerWaalsContact O-N 3.09Å; P465-V468 PolarHBondContact O-N 2.86Å; V468-S471 WeakPolarHBondContact O-CB 3.39Å; V468-S471 PolarHBondContact O-N 3.42Å; V468-T472 WeakPolarHBondContact O-CG2 3.41Å; V468-T472 PolarHBondContact O-N 2.91Å; V468-T472 VanDerWaalsContact O-N 3.08Å; V468-K490 HydrophobicContact CG1-CB 3.85Å; V468-L491 HydrophobicContact CB-CD1 4.17Å; V468-L491 HydrophobicContact CG1-CB 4.11Å; V468-L491 HydrophobicContact CG1-CD1 4.18Å; V468-L491 HydrophobicContact CG2-CD1 4.45Å
469	Y	86.1	Confident	83.2	Confident	61 Å²	61	40.8 Å²	40.8	24%	0.239	23%	0.233	C	C	.	.	H	α-helix	trans	-57	-55	174.6	175.6	-103.4	0	0	0	112.1	P465 T466 I467 S471 T472 L473 M487 E592	P465-Y469 WeakPolarHBondContact O-CB 3.4Å; P465-Y469 PolarHBondContact O-N 2.94Å; T466-Y469 WeakPolarHBondContact O-CB 3.37Å; T466-Y469 PolarHBondContact O-N 2.84Å; I467-Y469 VanDerWaalsContact C-N 3.31Å; I467-Y469 PolarHBondContact O-N 3.45Å; Y469-S471 VanDerWaalsContact C-N 3.26Å; Y469-S471 PolarHBondContact O-N 2.73Å; Y469-T472 PolarHBondContact O-N 3.43Å; Y469-T472 PolarHBondContact O-OG1 3.48Å; Y469-L473 HydrophobicContact CD1-CD1 4.08Å; Y469-L473 HydrophobicContact CE1-CD1 3.4Å; Y469-L473 HydrophobicContact CE1-CG 4.19Å; Y469-L473 HydrophobicContact CE2-CD1 4.45Å; Y469-L473 HydrophobicContact CE2-CG 4.48Å; Y469-L473 PolarHBondContact O-N 3.27Å; Y469-L473 VanDerWaalsContact O-N 3.13Å; Y469-M487 HydrophobicContact CD2-CE 3.45Å; Y469-M487 VanDerWaalsContact CD2-CE 3.45Å; Y469-M487 HydrophobicContact CD2-SD 3.88Å; Y469-M487 HydrophobicContact CE2-CE 3.48Å; Y469-M487 VanDerWaalsContact CE2-CE 3.48Å; Y469-M487 HydrophobicContact CE2-SD 4.24Å; Y469-E592 WeakPolarHBondContact CE2-OE1 3.26Å; Y469-E592 VanDerWaalsContact CE2-OE2 3.29Å; Y469-E592 WeakPolarHBondContact CE2-OE2 3.41Å; Y469-E592 PolarHBondContact OH-OE1 2.88Å
470	F	88.1	Confident	84	Confident	131 Å²	131	37.9 Å²	37.9	58%	0.575	21%	0.212	S	C	*	.	H	α-helix	trans	-63.2	-32.8	178.2	-75.5	-60	0	0	0	112.9	T466 I467 T472 L473 G474	T466-F470 HydrophobicContact CG2-CD2 3.75Å; T466-F470 HydrophobicContact CG2-CE2 3.44Å; T466-F470 VanDerWaalsContact CG2-CE2 3.44Å; T466-F470 WeakPolarHBondContact O-CD2 3.46Å; T466-F470 PolarHBondContact O-N 2.87Å; I467-F470 PolarHBondContact O-N 2.84Å; F470-T472 VanDerWaalsContact C-N 3.29Å; F470-T472 PolarHBondContact O-N 3.41Å; F470-L473 HydrophobicContact CD1-CD1 4.2Å; F470-L473 PolarHBondContact O-N 3.33Å; F470-G474 PolarHBondContact O-N 2.85Å
471	S	92.4	Very high	84.8	Confident	13 Å²	13	35.8 Å²	35.8	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-41.5	172.1	173.8	0	0	0	0	111.5	I410 I467 V468 Y469 G474 E475 K490	I410-S471 WeakPolarHBondContact CG2-OG 3.18Å; I467-S471 WeakPolarHBondContact O-CB 3.37Å; I467-S471 PolarHBondContact O-N 3.32Å; V468-S471 WeakPolarHBondContact O-CB 3.39Å; V468-S471 PolarHBondContact O-N 3.42Å; Y469-S471 VanDerWaalsContact C-N 3.26Å; Y469-S471 PolarHBondContact O-N 2.73Å; S471-G474 PolarHBondContact O-N 3.41Å; S471-E475 WeakPolarHBondContact O-CG 3.47Å; S471-E475 PolarHBondContact O-N 3.03Å; S471-K490 PolarHBondContact OG-NZ 2.77Å
472	T	90.1	Very high	85.7	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.6	-41.3	179.2	57.6	0	0	0	0	113.7	V468 Y469 F470 G474 E475 M487 K490	V468-T472 WeakPolarHBondContact O-CG2 3.41Å; V468-T472 PolarHBondContact O-N 2.91Å; V468-T472 VanDerWaalsContact O-N 3.08Å; Y469-T472 PolarHBondContact O-N 3.43Å; Y469-T472 PolarHBondContact O-OG1 3.48Å; F470-T472 VanDerWaalsContact C-N 3.29Å; F470-T472 PolarHBondContact O-N 3.41Å; T472-G474 PolarHBondContact O-N 3.33Å; T472-E475 WeakPolarHBondContact O-CB 3.42Å; T472-E475 PolarHBondContact O-N 2.93Å; T472-M487 HydrophobicContact CG2-CB 4.03Å; T472-M487 HydrophobicContact CG2-CG 4.39Å; T472-M487 WeakPolarHBondContact OG1-CE 3.36Å; T472-K490 HydrophobicContact CG2-CD 3.76Å
473	L	87.9	Confident	86.6	Confident	63 Å²	63	30.9 Å²	30.9	33%	0.33	16%	0.163	S	C	.	.	H	α-helix	trans	-59.6	-38.7	170.5	-66.9	-179.6	0	0	0	111.1	Y469 F470 E475 A476	Y469-L473 HydrophobicContact CD1-CD1 4.08Å; Y469-L473 HydrophobicContact CE1-CD1 3.4Å; Y469-L473 HydrophobicContact CE1-CG 4.19Å; Y469-L473 HydrophobicContact CE2-CD1 4.45Å; Y469-L473 HydrophobicContact CE2-CG 4.48Å; Y469-L473 PolarHBondContact O-N 3.27Å; Y469-L473 VanDerWaalsContact O-N 3.13Å; F470-L473 HydrophobicContact CD1-CD1 4.2Å; F470-L473 PolarHBondContact O-N 3.33Å; L473-E475 PolarHBondContact O-N 3.45Å; L473-A476 PolarHBondContact O-N 2.85Å; L473-A476 VanDerWaalsContact O-N 3.09Å
474	G	88.5	Confident	87.3	Confident	20 Å²	20	27.3 Å²	27.3	21%	0.206	15%	0.145	C	C	.	.	H	α-helix	trans	-57.5	-26.1	173.3	0	0	0	0	0	113.6	R406 I410 F470 S471 T472 A476	R406-G474 PolarHBondContact NE-O 3.4Å; R406-G474 PolarHBondContact NH2-O 3.17Å; I410-G474 VanDerWaalsContact CD1-C 3.4Å; I410-G474 WeakPolarHBondContact CD1-O 3.46Å; F470-G474 PolarHBondContact O-N 2.85Å; S471-G474 PolarHBondContact O-N 3.41Å; T472-G474 PolarHBondContact O-N 3.33Å; G474-A476 VanDerWaalsContact C-N 3.26Å; G474-A476 PolarHBondContact O-N 2.93Å
475	E	89.9	Confident	87.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.6	178	-58.6	-173.7	141.5	0	0	113.3	W403 W407 N411 S471 T472 L473 H477 S486 K490	W403-E475 VanDerWaalsContact CD1-O 3.31Å; W403-E475 PolarHBondContact NE1-O 3.44Å; W407-E475 PolarHBondContact NE1-OE1 3.25Å; N411-E475 PolarHBondContact ND2-OE1 3.47Å; S471-E475 WeakPolarHBondContact O-CG 3.47Å; S471-E475 PolarHBondContact O-N 3.03Å; T472-E475 WeakPolarHBondContact O-CB 3.42Å; T472-E475 PolarHBondContact O-N 2.93Å; L473-E475 PolarHBondContact O-N 3.45Å; E475-H477 IonicContact OE2-CD2 2.98Å; E475-H477 IonicContact OE2-CE1 3.13Å; E475-H477 IonicContact OE2-NE2 3.9Å; E475-H477 PolarHBondContact OE2-NE2 3.35Å; E475-S486 PolarHBondContact OE2-OG 3Å; E475-K490 VanDerWaalsContact CD-CE 3.45Å; E475-K490 WeakPolarHBondContact OE1-CE 3.21Å; E475-K490 IonicContact OE1-NZ 2.67Å; E475-K490 PolarHBondContact OE1-NZ 3.46Å; E475-K490 IonicContact OE2-NZ 3.26Å
476	A	90.2	Very high	88.4	Confident	6 Å²	6	27.4 Å²	27.4	5%	0.05	14%	0.144	C	C	.	.			trans	53.1	59.9	-178.1	0	0	0	0	0	112.7	N395 L473 G474	N395-A476 HydrophobicContact CB-CB 4.29Å; L473-A476 PolarHBondContact O-N 2.85Å; L473-A476 VanDerWaalsContact O-N 3.09Å; G474-A476 VanDerWaalsContact C-N 3.26Å; G474-A476 PolarHBondContact O-N 2.93Å
477	H	89.6	Confident	88.8	Confident	8 Å²	8	24.9 Å²	24.9	4%	0.037	13%	0.128	C	C	.	.			trans	-65.6	140.6	171.8	-73.6	-86.6	0	0	0	110.2	Y392 N395 W403 E475 S482 E483 S486	Y392-H477 WeakPolarHBondContact CD2-O 3.18Å; N395-H477 VanDerWaalsContact CB-O 3.24Å; N395-H477 WeakPolarHBondContact CB-O 3.33Å; N395-H477 PolarHBondContact ND2-O 3.36Å; W403-H477 AromaticContact CZ2-CE1 3.6Å; E475-H477 IonicContact OE2-CD2 2.98Å; E475-H477 IonicContact OE2-CE1 3.13Å; E475-H477 IonicContact OE2-NE2 3.9Å; E475-H477 PolarHBondContact OE2-NE2 3.35Å; H477-S482 PolarHBondContact ND1-OG 3.39Å; H477-E483 HydrophobicContact CB-CB 3.86Å; H477-E483 HydrophobicContact CB-CG 4.47Å; H477-S486 WeakPolarHBondContact NE2-CB 3.24Å
478	W	88.4	Confident	89.1	Confident	62 Å²	62	23.4 Å²	23.4	24%	0.235	12%	0.12	C	C	.	.	S	Bend	trans	-85.3	-15.2	-179.1	68.6	-88.5	0	0	0	113.6	F216 P386 Y392 L396	F216-W478 AromaticContact CD1-CH2 3.85Å; F216-W478 HydrophobicContact CD1-CH2 3.85Å; F216-W478 HydrophobicContact CD1-CZ2 4.36Å; F216-W478 HydrophobicContact CD1-CZ3 4.4Å; F216-W478 AromaticContact CE1-CH2 3.55Å; F216-W478 HydrophobicContact CE1-CH2 3.55Å; F216-W478 AromaticContact CE1-CZ2 3.8Å; F216-W478 HydrophobicContact CE1-CZ2 3.8Å; F216-W478 AromaticContact CE1-CZ3 3.96Å; F216-W478 HydrophobicContact CE1-CZ3 3.96Å; F216-W478 HydrophobicContact CZ-CE3 4.43Å; F216-W478 HydrophobicContact CZ-CH2 4.17Å; F216-W478 HydrophobicContact CZ-CZ3 4.11Å; P386-W478 HydrophobicContact CG-CH2 4.13Å; P386-W478 HydrophobicContact CG-CZ3 3.75Å; Y392-W478 PolarHBondContact N-O 3.01Å; L396-W478 HydrophobicContact CD1-CB 4.07Å; L396-W478 HydrophobicContact CD1-CD2 4.29Å; L396-W478 HydrophobicContact CD1-CE3 4.03Å; L396-W478 HydrophobicContact CD1-CG 4.32Å
479	S	87.6	Confident	89.2	Confident	11 Å²	11	29.4 Å²	29.4	8%	0.077	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-124.8	139.1	177.3	58.7	0	0	0	0	110.9	S481 S482 E483	S479-S481 VanDerWaalsContact C-N 3.35Å; S479-S481 PolarHBondContact O-N 3Å; S479-S482 PolarHBondContact O-N 3.04Å; S479-S482 WeakPolarHBondContact OG-CB 3.48Å; S479-E483 PolarHBondContact O-N 2.66Å; S479-E483 VanDerWaalsContact O-N 3.11Å
480	M	86.7	Confident	89.4	Confident	10 Å²	10	27.3 Å²	27.3	5%	0.049	14%	0.135	C	C	.	.	H	α-helix	trans	-56.5	-46.6	179	-171.6	-178.9	-169	0	0	112.1	S390 Y392 S482 E483 Q484 E590 T643 L645	S390-M480 WeakPolarHBondContact O-CB 3.37Å; S390-M480 PolarHBondContact O-N 2.74Å; Y392-M480 HydrophobicContact CE2-CB 4.03Å; Y392-M480 HydrophobicContact CE2-CG 4.47Å; M480-S482 VanDerWaalsContact C-N 3.31Å; M480-S482 PolarHBondContact O-N 3.25Å; M480-E483 WeakPolarHBondContact O-CB 3.42Å; M480-E483 PolarHBondContact O-N 3.35Å; M480-Q484 HydrophobicContact CG-CG 4.48Å; M480-Q484 WeakPolarHBondContact O-CG 3.16Å; M480-Q484 PolarHBondContact O-N 3.34Å; M480-E590 WeakPolarHBondContact CE-OE2 3.44Å; M480-T643 HydrophobicContact CE-CG2 3.71Å; M480-L645 HydrophobicContact CE-CD2 4.17Å; M480-L645 HydrophobicContact CG-CD2 3.78Å; M480-L645 HydrophobicContact SD-CD2 3.92Å
481	S	86.4	Confident	89.5	Confident	5 Å²	5	21.4 Å²	21.4	4%	0.035	11%	0.109	C	C	.	.	H	α-helix	trans	-58.9	-38.5	177.8	-51.2	0	0	0	0	113.2	S479 L485 D646	S479-S481 VanDerWaalsContact C-N 3.35Å; S479-S481 PolarHBondContact O-N 3Å; S481-L485 VanDerWaalsContact O-CB 3.3Å; S481-L485 WeakPolarHBondContact O-CB 3.4Å; S481-L485 PolarHBondContact O-N 3.44Å; S481-D646 WeakPolarHBondContact CB-OD2 3.31Å; S481-D646 VanDerWaalsContact OG-CB 3.28Å; S481-D646 WeakPolarHBondContact OG-CB 3.4Å; S481-D646 VanDerWaalsContact OG-CG 3.31Å; S481-D646 PolarHBondContact OG-N 2.89Å; S481-D646 PolarHBondContact OG-OD2 3.5Å
482	S	87.6	Confident	89.4	Confident	39 Å²	39	21.7 Å²	21.7	27%	0.273	11%	0.109	S	C	.	.	H	α-helix	trans	-69.9	-40.8	178.5	-176.7	0	0	0	0	111.8	H477 S479 M480 L485 S486	H477-S482 PolarHBondContact ND1-OG 3.39Å; S479-S482 PolarHBondContact O-N 3.04Å; S479-S482 WeakPolarHBondContact OG-CB 3.48Å; M480-S482 VanDerWaalsContact C-N 3.31Å; M480-S482 PolarHBondContact O-N 3.25Å; S482-L485 PolarHBondContact O-N 3.04Å; S482-S486 WeakPolarHBondContact O-CB 3.38Å; S482-S486 PolarHBondContact O-N 3.31Å
483	E	90	Very high	89.4	Confident	9 Å²	9	27.1 Å²	27.1	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-59.4	-53	174.9	-170.3	-177.4	91.7	0	0	111	Y392 H477 S479 M480 L485 S486 M487	Y392-E483 HydrophobicContact CE2-CB 4.47Å; H477-E483 HydrophobicContact CB-CB 3.86Å; H477-E483 HydrophobicContact CB-CG 4.47Å; S479-E483 PolarHBondContact O-N 2.66Å; S479-E483 VanDerWaalsContact O-N 3.11Å; M480-E483 WeakPolarHBondContact O-CB 3.42Å; M480-E483 PolarHBondContact O-N 3.35Å; E483-L485 VanDerWaalsContact C-N 3.31Å; E483-L485 PolarHBondContact O-N 3.25Å; E483-S486 WeakPolarHBondContact O-CB 3.33Å; E483-S486 PolarHBondContact O-N 3.21Å; E483-S486 VanDerWaalsContact O-N 3.13Å; E483-M487 WeakPolarHBondContact O-CB 3.1Å; E483-M487 PolarHBondContact O-N 2.99Å
484	Q	90.6	Very high	89.3	Confident	4 Å²	4	24.8 Å²	24.8	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-61.8	-38	-179.1	-65.2	-65.7	-42.9	0	0	111.9	M480 M487 M488 G594 L645 V649	M480-Q484 HydrophobicContact CG-CG 4.48Å; M480-Q484 WeakPolarHBondContact O-CG 3.16Å; M480-Q484 PolarHBondContact O-N 3.34Å; Q484-M487 PolarHBondContact O-N 3.46Å; Q484-M488 WeakPolarHBondContact O-CB 3.23Å; Q484-M488 PolarHBondContact O-N 3.02Å; Q484-G594 WeakPolarHBondContact O-CA 3.29Å; Q484-L645 HydrophobicContact CG-CD2 3.98Å; Q484-V649 HydrophobicContact CB-CG1 4.38Å; Q484-V649 HydrophobicContact CB-CG2 4.44Å
485	L	89.7	Confident	89.2	Confident	38 Å²	38	24.1 Å²	24.1	20%	0.199	11%	0.111	C	C	.	.	H	α-helix	trans	-69.6	-36.7	175.6	-171.4	72.8	0	0	0	112.8	S481 S482 E483 M488 R489	S481-L485 VanDerWaalsContact O-CB 3.3Å; S481-L485 WeakPolarHBondContact O-CB 3.4Å; S481-L485 PolarHBondContact O-N 3.44Å; S482-L485 PolarHBondContact O-N 3.04Å; E483-L485 VanDerWaalsContact C-N 3.31Å; E483-L485 PolarHBondContact O-N 3.25Å; L485-M488 HydrophobicContact CD1-CE 3.71Å; L485-R489 WeakPolarHBondContact O-CG 3.39Å; L485-R489 PolarHBondContact O-N 3.4Å; L485-R489 PolarHBondContact O-NE 2.94Å; L485-R489 VanDerWaalsContact O-NE 3.08Å
486	S	90.8	Very high	89	Confident	7 Å²	7	24.7 Å²	24.7	5%	0.049	11%	0.114	C	C	.	.	H	α-helix	trans	-63.9	-48.7	172.4	-167.9	0	0	0	0	110.2	E475 H477 S482 E483 M488 R489 K490	E475-S486 PolarHBondContact OE2-OG 3Å; H477-S486 WeakPolarHBondContact NE2-CB 3.24Å; S482-S486 WeakPolarHBondContact O-CB 3.38Å; S482-S486 PolarHBondContact O-N 3.31Å; E483-S486 WeakPolarHBondContact O-CB 3.33Å; E483-S486 PolarHBondContact O-N 3.21Å; E483-S486 VanDerWaalsContact O-N 3.13Å; S486-M488 PolarHBondContact O-N 3.08Å; S486-R489 PolarHBondContact O-N 2.9Å; S486-K490 WeakPolarHBondContact O-CG 3.02Å; S486-K490 PolarHBondContact O-N 3.28Å
487	M	90.7	Very high	88.6	Confident	3 Å²	3	25.6 Å²	25.6	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-56.2	-50.3	178.9	-171.2	-175.4	-64.7	0	0	112	Y469 T472 E483 Q484 R489 K490 L491 A595	Y469-M487 HydrophobicContact CD2-CE 3.45Å; Y469-M487 VanDerWaalsContact CD2-CE 3.45Å; Y469-M487 HydrophobicContact CD2-SD 3.88Å; Y469-M487 HydrophobicContact CE2-CE 3.48Å; Y469-M487 VanDerWaalsContact CE2-CE 3.48Å; Y469-M487 HydrophobicContact CE2-SD 4.24Å; T472-M487 HydrophobicContact CG2-CB 4.03Å; T472-M487 HydrophobicContact CG2-CG 4.39Å; T472-M487 WeakPolarHBondContact OG1-CE 3.36Å; E483-M487 WeakPolarHBondContact O-CB 3.1Å; E483-M487 PolarHBondContact O-N 2.99Å; Q484-M487 PolarHBondContact O-N 3.46Å; M487-R489 PolarHBondContact O-N 3.45Å; M487-K490 PolarHBondContact O-N 3.39Å; M487-L491 WeakPolarHBondContact O-CB 3.49Å; M487-L491 PolarHBondContact O-N 2.9Å; M487-A595 HydrophobicContact CG-CB 4.47Å; M487-A595 HydrophobicContact SD-CB 3.8Å
488	M	92	Very high	88	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.4	-48.7	177.3	-172.7	-179.4	73	0	0	112.3	Q484 L485 S486 Y492 G594 Y597 A653 Q656	Q484-M488 WeakPolarHBondContact O-CB 3.23Å; Q484-M488 PolarHBondContact O-N 3.02Å; L485-M488 HydrophobicContact CD1-CE 3.71Å; S486-M488 PolarHBondContact O-N 3.08Å; M488-Y492 WeakPolarHBondContact O-CB 3.43Å; M488-Y492 PolarHBondContact O-N 3.16Å; M488-G594 VanDerWaalsContact CA-O 3.26Å; M488-G594 WeakPolarHBondContact CA-O 3.44Å; M488-G594 WeakPolarHBondContact CB-O 3.37Å; M488-Y597 VanDerWaalsContact SD-CB 3.56Å; M488-Y597 HydrophobicContact SD-CD2 4.16Å; M488-Y597 HydrophobicContact SD-CG 4.05Å; M488-A653 HydrophobicContact CE-CB 4.36Å; M488-A653 HydrophobicContact SD-CB 3.79Å; M488-Q656 HydrophobicContact CE-CG 4.47Å; M488-Q656 VanDerWaalsContact CG-OE1 3.23Å
489	R	90	Very high	87.5	Confident	128 Å²	128	24.2 Å²	24.2	48%	0.483	12%	0.115	S	C	.	.	H	α-helix	trans	-62.9	-47.7	179.5	-79.1	179	-65.9	-179.3	3.1	113	L485 S486 M487 F493 Q656	L485-R489 WeakPolarHBondContact O-CG 3.39Å; L485-R489 PolarHBondContact O-N 3.4Å; L485-R489 PolarHBondContact O-NE 2.94Å; L485-R489 VanDerWaalsContact O-NE 3.08Å; S486-R489 PolarHBondContact O-N 2.9Å; M487-R489 PolarHBondContact O-N 3.45Å; R489-F493 WeakPolarHBondContact O-CB 3.27Å; R489-F493 PolarHBondContact O-N 3.25Å; R489-Q656 VanDerWaalsContact CA-NE2 3.34Å
490	K	90.7	Very high	87.1	Confident	16 Å²	16	23.7 Å²	23.7	7%	0.07	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-50	179.6	-69.5	-165.1	-163.1	-165.3	0	111	N411 L414 V468 S471 T472 E475 S486 M487 Y492 F493 F494	N411-K490 WeakPolarHBondContact OD1-CE 3.45Å; N411-K490 PolarHBondContact OD1-NZ 2.82Å; L414-K490 HydrophobicContact CD2-CD 4.33Å; V468-K490 HydrophobicContact CG1-CB 3.85Å; S471-K490 PolarHBondContact OG-NZ 2.77Å; T472-K490 HydrophobicContact CG2-CD 3.76Å; E475-K490 VanDerWaalsContact CD-CE 3.45Å; E475-K490 WeakPolarHBondContact OE1-CE 3.21Å; E475-K490 IonicContact OE1-NZ 2.67Å; E475-K490 PolarHBondContact OE1-NZ 3.46Å; E475-K490 IonicContact OE2-NZ 3.26Å; S486-K490 WeakPolarHBondContact O-CG 3.02Å; S486-K490 PolarHBondContact O-N 3.28Å; M487-K490 PolarHBondContact O-N 3.39Å; K490-Y492 VanDerWaalsContact C-N 3.33Å; K490-Y492 PolarHBondContact O-N 3.44Å; K490-F493 PolarHBondContact O-N 2.98Å; K490-F494 HydrophobicContact CB-CD2 4.12Å; K490-F494 HydrophobicContact CB-CE2 4.29Å; K490-F494 WeakPolarHBondContact O-CB 3.24Å; K490-F494 WeakPolarHBondContact O-CD2 3.39Å; K490-F494 PolarHBondContact O-N 2.95Å
491	L	89.9	Confident	86.7	Confident	7 Å²	7	25.6 Å²	25.6	4%	0.037	12%	0.121	C	C	.	.	H	α-helix	trans	-60.1	-46.6	-177.9	-172.9	66.2	0	0	0	110.5	P465 V468 M487 L495 A595	P465-L491 HydrophobicContact CB-CD1 4.09Å; V468-L491 HydrophobicContact CB-CD1 4.17Å; V468-L491 HydrophobicContact CG1-CB 4.11Å; V468-L491 HydrophobicContact CG1-CD1 4.18Å; V468-L491 HydrophobicContact CG2-CD1 4.45Å; M487-L491 WeakPolarHBondContact O-CB 3.49Å; M487-L491 PolarHBondContact O-N 2.9Å; L491-L495 HydrophobicContact CD1-CD1 3.66Å; L491-L495 HydrophobicContact CD1-CG 3.95Å; L491-L495 HydrophobicContact CD2-CD1 4.37Å; L491-L495 HydrophobicContact CG-CD1 3.61Å; L491-L495 HydrophobicContact CG-CG 4.26Å; L491-L495 WeakPolarHBondContact O-CB 3.29Å; L491-L495 WeakPolarHBondContact O-CG 3.44Å; L491-L495 PolarHBondContact O-N 2.93Å; L491-A595 HydrophobicContact CD2-CB 4.17Å; L491-A595 VanDerWaalsContact CD2-O 3.22Å; L491-A595 WeakPolarHBondContact CD2-O 3.33Å
492	Y	90.7	Very high	86	Confident	20 Å²	20	26 Å²	26	8%	0.078	12%	0.123	C	C	.	.	H	α-helix	trans	-58.1	-52.6	175.1	179	-105.8	0	0	0	112.4	M488 K490 L496 L601 C602 T605	M488-Y492 WeakPolarHBondContact O-CB 3.43Å; M488-Y492 PolarHBondContact O-N 3.16Å; K490-Y492 VanDerWaalsContact C-N 3.33Å; K490-Y492 PolarHBondContact O-N 3.44Å; Y492-L496 HydrophobicContact CE1-CD1 4.2Å; Y492-L496 HydrophobicContact CE2-CD1 4.12Å; Y492-L496 WeakPolarHBondContact O-CB 3.3Å; Y492-L496 PolarHBondContact O-N 3.27Å; Y492-L601 HydrophobicContact CD2-CB 3.76Å; Y492-L601 HydrophobicContact CE2-CB 3.93Å; Y492-C602 HydrophobicContact CD2-CB 4.42Å; Y492-T605 PolarHBondContact OH-OG1 3.28Å
493	F	88.9	Confident	85.2	Confident	113 Å²	113	26 Å²	26	50%	0.496	12%	0.122	S	C	.	.	H	α-helix	trans	-63.3	-48.3	-177.3	177.2	-97.7	0	0	0	112.5	R489 K490 L496 F497	R489-F493 WeakPolarHBondContact O-CB 3.27Å; R489-F493 PolarHBondContact O-N 3.25Å; K490-F493 PolarHBondContact O-N 2.98Å; F493-L496 PolarHBondContact O-N 3.22Å; F493-F497 VanDerWaalsContact O-CB 3.29Å; F493-F497 WeakPolarHBondContact O-CB 3.33Å; F493-F497 PolarHBondContact O-N 3.19Å
494	F	86.7	Confident	84.3	Confident	14 Å²	14	25.6 Å²	25.6	6%	0.061	12%	0.12	C	C	.	.	H	α-helix	trans	-70.5	-40.8	-177.8	-75.1	-65.3	0	0	0	112.3	L414 F415 L418 K490 F497 M498	L414-F494 HydrophobicContact CD2-CD2 3.87Å; L414-F494 HydrophobicContact CD2-CE2 3.35Å; L414-F494 HydrophobicContact CD2-CZ 3.84Å; L414-F494 HydrophobicContact CG-CE2 4.1Å; L414-F494 HydrophobicContact CG-CZ 4.12Å; F415-F494 HydrophobicContact CB-CE1 4.36Å; F415-F494 HydrophobicContact CD2-CE1 4.1Å; L418-F494 HydrophobicContact CD1-CB 3.86Å; L418-F494 HydrophobicContact CD1-CD1 3.46Å; L418-F494 VanDerWaalsContact CD1-CD1 3.46Å; L418-F494 HydrophobicContact CD1-CD2 4.19Å; L418-F494 HydrophobicContact CD1-CE1 3.98Å; L418-F494 HydrophobicContact CD1-CG 3.58Å; K490-F494 HydrophobicContact CB-CD2 4.12Å; K490-F494 HydrophobicContact CB-CE2 4.29Å; K490-F494 WeakPolarHBondContact O-CB 3.24Å; K490-F494 WeakPolarHBondContact O-CD2 3.39Å; K490-F494 PolarHBondContact O-N 2.95Å; F494-F497 PolarHBondContact O-N 3.05Å; F494-M498 WeakPolarHBondContact O-CB 3.48Å; F494-M498 VanDerWaalsContact O-CG 3.26Å; F494-M498 WeakPolarHBondContact O-CG 3.4Å; F494-M498 PolarHBondContact O-N 3.43Å
495	L	85.4	Confident	83.2	Confident	6 Å²	6	27.1 Å²	27.1	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-44.6	174	-73.9	173	0	0	0	110.9	L464 L491 F497 M498 V499 W599 C602	L464-L495 HydrophobicContact CD2-CD2 3.33Å; L464-L495 HydrophobicContact CD2-CG 4.14Å; L491-L495 HydrophobicContact CD1-CD1 3.66Å; L491-L495 HydrophobicContact CD1-CG 3.95Å; L491-L495 HydrophobicContact CD2-CD1 4.37Å; L491-L495 HydrophobicContact CG-CD1 3.61Å; L491-L495 HydrophobicContact CG-CG 4.26Å; L491-L495 WeakPolarHBondContact O-CB 3.29Å; L491-L495 WeakPolarHBondContact O-CG 3.44Å; L491-L495 PolarHBondContact O-N 2.93Å; L495-F497 VanDerWaalsContact C-N 3.35Å; L495-F497 PolarHBondContact O-N 3.07Å; L495-M498 PolarHBondContact O-N 3.04Å; L495-V499 VanDerWaalsContact O-CB 3.23Å; L495-V499 WeakPolarHBondContact O-CB 3.16Å; L495-V499 WeakPolarHBondContact O-CG2 3.48Å; L495-V499 PolarHBondContact O-N 3.43Å; L495-W599 HydrophobicContact CD1-CD2 4.48Å; L495-W599 HydrophobicContact CD1-CE3 3.61Å; L495-W599 HydrophobicContact CD1-CZ3 4.14Å; L495-W599 HydrophobicContact CD2-CE3 4.35Å; L495-W599 HydrophobicContact CD2-CZ3 4.03Å; L495-C602 HydrophobicContact CB-CB 4.15Å; L495-C602 VanDerWaalsContact CB-SG 3.55Å; L495-C602 HydrophobicContact CD1-CB 4.29Å
496	L	85.9	Confident	81.7	Confident	12 Å²	12	27.2 Å²	27.2	6%	0.063	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-42.7	178.8	-171.5	146.7	0	0	0	111.5	Y492 F493 M498 L500 I501 T605 I663	Y492-L496 HydrophobicContact CE1-CD1 4.2Å; Y492-L496 HydrophobicContact CE2-CD1 4.12Å; Y492-L496 WeakPolarHBondContact O-CB 3.3Å; Y492-L496 PolarHBondContact O-N 3.27Å; F493-L496 PolarHBondContact O-N 3.22Å; L496-M498 VanDerWaalsContact C-N 3.32Å; L496-M498 PolarHBondContact O-N 2.83Å; L496-L500 HydrophobicContact CD2-CD2 4.48Å; L496-L500 HydrophobicContact CG-CB 4.4Å; L496-L500 HydrophobicContact CG-CD2 4.23Å; L496-L500 WeakPolarHBondContact O-CA 3.43Å; L496-L500 VanDerWaalsContact O-CB 3.28Å; L496-L500 WeakPolarHBondContact O-CB 3.45Å; L496-L500 PolarHBondContact O-N 2.77Å; L496-I501 HydrophobicContact CD2-CD1 3.45Å; L496-I501 VanDerWaalsContact CD2-CD1 3.45Å; L496-I501 HydrophobicContact CD2-CG1 3.76Å; L496-I501 PolarHBondContact O-N 3.23Å; L496-I501 VanDerWaalsContact O-N 3.09Å; L496-T605 HydrophobicContact CD1-CG2 3.5Å; L496-I663 HydrophobicContact CD1-CD1 3.56Å; L496-I663 HydrophobicContact CD2-CD1 4.3Å
497	F	81.8	Confident	80.1	Confident	25 Å²	25	27.2 Å²	27.2	11%	0.11	14%	0.138	C	C	.	.	I	π-helix	trans	-60.5	-43.2	176.7	-175.8	-110.9	0	0	0	111.8	F493 F494 L495 I501 L502	F493-F497 VanDerWaalsContact O-CB 3.29Å; F493-F497 WeakPolarHBondContact O-CB 3.33Å; F493-F497 PolarHBondContact O-N 3.19Å; F494-F497 PolarHBondContact O-N 3.05Å; L495-F497 VanDerWaalsContact C-N 3.35Å; L495-F497 PolarHBondContact O-N 3.07Å; F497-I501 HydrophobicContact CD2-CB 4.14Å; F497-I501 HydrophobicContact CD2-CD1 4.18Å; F497-I501 HydrophobicContact CD2-CG2 4.11Å; F497-I501 HydrophobicContact CE2-CG2 4.26Å; F497-I501 PolarHBondContact O-N 3.29Å; F497-L502 HydrophobicContact CD1-CD1 4.31Å; F497-L502 HydrophobicContact CD1-CG 4.27Å; F497-L502 HydrophobicContact CE1-CD1 3.88Å; F497-L502 HydrophobicContact CE1-CD2 3.97Å; F497-L502 HydrophobicContact CE1-CG 3.92Å; F497-L502 HydrophobicContact CE2-CD2 4.02Å; F497-L502 HydrophobicContact CE2-CG 4.4Å; F497-L502 HydrophobicContact CZ-CD1 4.36Å; F497-L502 HydrophobicContact CZ-CD2 3.57Å; F497-L502 HydrophobicContact CZ-CG 4Å; F497-L502 WeakPolarHBondContact O-CG 3.43Å; F497-L502 PolarHBondContact O-N 3.5Å
498	M	77.4	Confident	78.4	Confident	19 Å²	19	30.9 Å²	30.9	9%	0.094	16%	0.16	C	C	.	.	I	π-helix	trans	-82.5	-37.6	-175.8	-65.1	-47.2	179.5	0	0	114.8	L418 T422 L464 F494 L495 L496 L502 P503	L418-M498 HydrophobicContact CB-CE 3.82Å; T422-M498 HydrophobicContact CG2-CB 4.03Å; T422-M498 HydrophobicContact CG2-CE 3.77Å; T422-M498 HydrophobicContact CG2-CG 3.54Å; T422-M498 HydrophobicContact CG2-SD 3.16Å; T422-M498 WeakPolarHBondContact CG2-SD 3.26Å; T422-M498 PolarHBondContact OG1-SD 3.32Å; L464-M498 HydrophobicContact CD1-CG 4.24Å; F494-M498 WeakPolarHBondContact O-CB 3.48Å; F494-M498 VanDerWaalsContact O-CG 3.26Å; F494-M498 WeakPolarHBondContact O-CG 3.4Å; F494-M498 PolarHBondContact O-N 3.43Å; L495-M498 PolarHBondContact O-N 3.04Å; L496-M498 VanDerWaalsContact C-N 3.32Å; L496-M498 PolarHBondContact O-N 2.83Å; M498-L502 HydrophobicContact CE-CD1 4.21Å; M498-L502 HydrophobicContact SD-CD1 3.32Å; M498-L502 WeakPolarHBondContact SD-CD1 3.49Å; M498-L502 HydrophobicContact SD-CG 4.24Å; M498-P503 WeakPolarHBondContact O-CD 3.29Å; M498-P503 VanDerWaalsContact O-CG 3.27Å; M498-P503 WeakPolarHBondContact O-CG 3.28Å
499	V	77.9	Confident	76.8	Confident	23 Å²	23	31.5 Å²	31.5	14%	0.139	17%	0.165	C	C	.	.	I	π-helix	trans	-85.5	-41.8	-177.1	175.5	0	0	0	0	110.7	L495 P503 F542 Y545 V606	L495-V499 VanDerWaalsContact O-CB 3.23Å; L495-V499 WeakPolarHBondContact O-CB 3.16Å; L495-V499 WeakPolarHBondContact O-CG2 3.48Å; L495-V499 PolarHBondContact O-N 3.43Å; V499-P503 WeakPolarHBondContact O-CG 3.14Å; V499-F542 HydrophobicContact CG1-CE1 4.37Å; V499-F542 WeakPolarHBondContact O-CE1 3.29Å; V499-F542 WeakPolarHBondContact O-CZ 3.16Å; V499-Y545 HydrophobicContact CG1-CD1 4.45Å; V499-Y545 HydrophobicContact CG1-CE1 3.88Å; V499-Y545 HydrophobicContact CG1-CE2 4.16Å; V499-V606 HydrophobicContact CG1-CG2 4.31Å
500	L	79.5	Confident	75.2	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-100.8	-55.7	-173.1	-176	63.8	0	0	0	112.2	L496 S504 F542 T605 V606 A609 Y610 I663 W667	L496-L500 HydrophobicContact CD2-CD2 4.48Å; L496-L500 HydrophobicContact CG-CB 4.4Å; L496-L500 HydrophobicContact CG-CD2 4.23Å; L496-L500 WeakPolarHBondContact O-CA 3.43Å; L496-L500 VanDerWaalsContact O-CB 3.28Å; L496-L500 WeakPolarHBondContact O-CB 3.45Å; L496-L500 PolarHBondContact O-N 2.77Å; L500-S504 WeakPolarHBondContact O-CB 3.4Å; L500-S504 PolarHBondContact O-N 3.47Å; L500-S504 PolarHBondContact O-OG 2.88Å; L500-F542 HydrophobicContact CD1-CE1 4.3Å; L500-F542 HydrophobicContact CD1-CZ 4.24Å; L500-T605 HydrophobicContact CD2-CG2 4.47Å; L500-V606 HydrophobicContact CB-CG2 4.41Å; L500-A609 HydrophobicContact CD1-CB 4.44Å; L500-A609 HydrophobicContact CD2-CB 4.14Å; L500-Y610 HydrophobicContact CD1-CD2 4.16Å; L500-Y610 HydrophobicContact CD1-CE2 3.46Å; L500-Y610 VanDerWaalsContact CD1-CE2 3.46Å; L500-I663 HydrophobicContact CD2-CG2 3.92Å; L500-W667 HydrophobicContact CD1-CZ2 4.46Å; L500-W667 HydrophobicContact CG-CZ2 4.3Å
501	I	78.4	Confident	73.7	Confident	50 Å²	50	29.5 Å²	29.5	26%	0.256	17%	0.172	S	C	.	.	I	π-helix	trans	-73.1	-54.1	-167.1	-62.6	175.9	0	0	0	112.2	L496 F497 L505	L496-I501 HydrophobicContact CD2-CD1 3.45Å; L496-I501 VanDerWaalsContact CD2-CD1 3.45Å; L496-I501 HydrophobicContact CD2-CG1 3.76Å; L496-I501 PolarHBondContact O-N 3.23Å; L496-I501 VanDerWaalsContact O-N 3.09Å; F497-I501 HydrophobicContact CD2-CB 4.14Å; F497-I501 HydrophobicContact CD2-CD1 4.18Å; F497-I501 HydrophobicContact CD2-CG2 4.11Å; F497-I501 HydrophobicContact CE2-CG2 4.26Å; F497-I501 PolarHBondContact O-N 3.29Å; I501-L505 HydrophobicContact CG2-CD1 3.65Å; I501-L505 HydrophobicContact CG2-CG 4.41Å; I501-L505 WeakPolarHBondContact O-CB 3.27Å; I501-L505 WeakPolarHBondContact O-CG 3.41Å; I501-L505 PolarHBondContact O-N 2.81Å
502	L	72.2	Confident	72.3	Confident	14 Å²	14	33.4 Å²	33.4	7%	0.073	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-47.8	-175.8	-68.3	-173.7	0	0	0	113.8	F497 M498 L505 G506 L507	F497-L502 HydrophobicContact CD1-CD1 4.31Å; F497-L502 HydrophobicContact CD1-CG 4.27Å; F497-L502 HydrophobicContact CE1-CD1 3.88Å; F497-L502 HydrophobicContact CE1-CD2 3.97Å; F497-L502 HydrophobicContact CE1-CG 3.92Å; F497-L502 HydrophobicContact CE2-CD2 4.02Å; F497-L502 HydrophobicContact CE2-CG 4.4Å; F497-L502 HydrophobicContact CZ-CD1 4.36Å; F497-L502 HydrophobicContact CZ-CD2 3.57Å; F497-L502 HydrophobicContact CZ-CG 4Å; F497-L502 WeakPolarHBondContact O-CG 3.43Å; F497-L502 PolarHBondContact O-N 3.5Å; M498-L502 HydrophobicContact CE-CD1 4.21Å; M498-L502 HydrophobicContact SD-CD1 3.32Å; M498-L502 WeakPolarHBondContact SD-CD1 3.49Å; M498-L502 HydrophobicContact SD-CG 4.24Å; L502-L505 PolarHBondContact O-N 3.44Å; L502-G506 PolarHBondContact O-N 2.64Å; L502-L507 HydrophobicContact CD2-CB 4.29Å; L502-L507 PolarHBondContact O-N 3.02Å
503	P	69.9	Low	70.9	Confident	37 Å²	37	34.9 Å²	34.9	24%	0.24	19%	0.193	C	C	.	.	H	α-helix	trans	-65.8	-41.9	-178.8	-23	37.1	0	0	0	111.3	M498 V499 G506	M498-P503 WeakPolarHBondContact O-CD 3.29Å; M498-P503 VanDerWaalsContact O-CG 3.27Å; M498-P503 WeakPolarHBondContact O-CG 3.28Å; V499-P503 WeakPolarHBondContact O-CG 3.14Å; P503-G506 PolarHBondContact O-N 2.8Å; P503-G506 VanDerWaalsContact O-N 3.15Å
504	S	70.6	Confident	69.7	Low	2 Å²	2	34 Å²	34	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-65.7	-42.9	179.9	-53.2	0	0	0	0	110.9	L500 G506 V533 Y610	L500-S504 WeakPolarHBondContact O-CB 3.4Å; L500-S504 PolarHBondContact O-N 3.47Å; L500-S504 PolarHBondContact O-OG 2.88Å; S504-G506 PolarHBondContact O-N 3.01Å; S504-G506 VanDerWaalsContact O-N 3.14Å; S504-V533 WeakPolarHBondContact O-CB 3.19Å; S504-V533 WeakPolarHBondContact O-CG1 3.16Å; S504-V533 WeakPolarHBondContact O-CG2 3.14Å; S504-Y610 PolarHBondContact OG-OH 2.97Å
505	L	67	Low	68.8	Low	36 Å²	36	39.5 Å²	39.5	19%	0.188	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-3.6	177.5	-64.7	175.2	0	0	0	114.1	I501 L502 L507 F670	I501-L505 HydrophobicContact CG2-CD1 3.65Å; I501-L505 HydrophobicContact CG2-CG 4.41Å; I501-L505 WeakPolarHBondContact O-CB 3.27Å; I501-L505 WeakPolarHBondContact O-CG 3.41Å; I501-L505 PolarHBondContact O-N 2.81Å; L502-L505 PolarHBondContact O-N 3.44Å; L505-L507 HydrophobicContact CB-CB 4.24Å; L505-L507 HydrophobicContact CB-CD1 3.77Å; L505-L507 HydrophobicContact CB-CG 3.73Å; L505-L507 HydrophobicContact CD1-CD1 3.85Å; L505-L507 HydrophobicContact CG-CD1 4.46Å; L505-L507 PolarHBondContact O-N 3.31Å; L505-L507 VanDerWaalsContact O-N 3.12Å; L505-F670 HydrophobicContact CD2-CE1 4.04Å; L505-F670 HydrophobicContact CD2-CZ 4.16Å
506	G	58.1	Low	67.7	Low	40 Å²	40	43.1 Å²	43.1	41%	0.412	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	14.7	-172.2	0	0	0	0	0	113.3	L502 P503 S504 T508	L502-G506 PolarHBondContact O-N 2.64Å; P503-G506 PolarHBondContact O-N 2.8Å; P503-G506 VanDerWaalsContact O-N 3.15Å; S504-G506 PolarHBondContact O-N 3.01Å; S504-G506 VanDerWaalsContact O-N 3.14Å; G506-T508 PolarHBondContact O-N 2.93Å; G506-T508 VanDerWaalsContact O-N 3.09Å
507	L	59	Low	66.8	Low	7 Å²	7	46.5 Å²	46.5	4%	0.037	24%	0.24	C	C	.	.			trans	-88.6	51.5	-178.2	-64.2	176.9	0	0	0	109.9	L502 L505 S509 W512 F513 W516	L502-L507 HydrophobicContact CD2-CB 4.29Å; L502-L507 PolarHBondContact O-N 3.02Å; L505-L507 HydrophobicContact CB-CB 4.24Å; L505-L507 HydrophobicContact CB-CD1 3.77Å; L505-L507 HydrophobicContact CB-CG 3.73Å; L505-L507 HydrophobicContact CD1-CD1 3.85Å; L505-L507 HydrophobicContact CG-CD1 4.46Å; L505-L507 PolarHBondContact O-N 3.31Å; L505-L507 VanDerWaalsContact O-N 3.12Å; L507-S509 PolarHBondContact O-N 2.72Å; L507-W512 HydrophobicContact CD2-CB 4.24Å; L507-F513 HydrophobicContact CD1-CD2 4.06Å; L507-W516 HydrophobicContact CD1-CD2 4.29Å; L507-W516 HydrophobicContact CD1-CE3 4.36Å; L507-W516 HydrophobicContact CD1-CG 4.4Å; L507-W516 HydrophobicContact CD2-CB 4.11Å
508	T	54.4	Low	66.3	Low	79 Å²	79	52.5 Å²	52.5	49%	0.485	27%	0.267	S	S	.	.			trans	-69.9	2	-176.8	56.6	0	0	0	0	113.2	T423 G506	T423-T508 WeakPolarHBondContact CB-O 3.35Å; T423-T508 WeakPolarHBondContact CG2-O 3.31Å; T423-T508 PolarHBondContact OG1-O 3.36Å; G506-T508 PolarHBondContact O-N 2.93Å; G506-T508 VanDerWaalsContact O-N 3.09Å
509	S	58.7	Low	65.9	Low	13 Å²	13	54.5 Å²	54.5	9%	0.091	28%	0.278	C	S	.	.	S	Bend	trans	-136.9	146	173.1	95	0	0	0	0	114.2	L507 A511 W512 F513	L507-S509 PolarHBondContact O-N 2.72Å; S509-A511 PolarHBondContact O-N 3.48Å; S509-A511 PolarHBondContact OG-N 2.87Å; S509-W512 PolarHBondContact O-N 3.3Å; S509-W512 VanDerWaalsContact O-N 3.13Å; S509-W512 PolarHBondContact OG-N 3.49Å; S509-F513 PolarHBondContact O-N 3.4Å
510	L	55	Low	65.3	Low	49 Å²	49	61.9 Å²	61.9	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-56	-37.1	174.7	-171	87.9	0	0	0	112.5	T419 I426 F513 F514	T419-L510 HydrophobicContact CG2-CB 4.1Å; T419-L510 HydrophobicContact CG2-CD1 3.38Å; T419-L510 HydrophobicContact CG2-CG 4.32Å; I426-L510 HydrophobicContact CD1-CB 4.21Å; L510-F513 PolarHBondContact O-N 3.48Å; L510-F514 HydrophobicContact CD1-CD2 4.26Å; L510-F514 HydrophobicContact CD1-CE2 3.74Å; L510-F514 HydrophobicContact CD2-CD2 4.18Å; L510-F514 HydrophobicContact CD2-CE2 3.85Å; L510-F514 HydrophobicContact CG-CD2 3.75Å; L510-F514 HydrophobicContact CG-CE2 3.62Å; L510-F514 WeakPolarHBondContact O-CD2 3.44Å; L510-F514 PolarHBondContact O-N 3.41Å
511	A	59	Low	64.4	Low	54 Å²	54	66.3 Å²	66.3	45%	0.446	34%	0.335	S	S	.	.	H	α-helix	trans	-65.7	-38.9	178.8	0	0	0	0	0	111.8	S509 R515	S509-A511 PolarHBondContact O-N 3.48Å; S509-A511 PolarHBondContact OG-N 2.87Å; A511-R515 WeakPolarHBondContact O-CB 3.44Å; A511-R515 VanDerWaalsContact O-CG 3.26Å; A511-R515 WeakPolarHBondContact O-CG 3.32Å; A511-R515 PolarHBondContact O-N 3.16Å
512	W	61.1	Low	63.4	Low	89 Å²	89	65.5 Å²	65.5	34%	0.337	33%	0.33	S	S	.	.	H	α-helix	trans	-72.7	-36	174.4	-71.6	119.2	0	0	0	111.9	L507 S509 R515 W516 F522	L507-W512 HydrophobicContact CD2-CB 4.24Å; S509-W512 PolarHBondContact O-N 3.3Å; S509-W512 VanDerWaalsContact O-N 3.13Å; S509-W512 PolarHBondContact OG-N 3.49Å; W512-R515 PolarHBondContact O-N 2.95Å; W512-W516 WeakPolarHBondContact O-CB 3.43Å; W512-W516 PolarHBondContact O-N 3.18Å; W512-F522 HydrophobicContact CE3-CD2 4.37Å; W512-F522 AromaticContact CE3-CE2 3.63Å; W512-F522 HydrophobicContact CE3-CE2 3.63Å; W512-F522 HydrophobicContact CE3-CZ 4.27Å; W512-F522 HydrophobicContact CZ3-CD2 4.16Å; W512-F522 AromaticContact CZ3-CE2 3.6Å; W512-F522 HydrophobicContact CZ3-CE2 3.6Å
513	F	61.6	Low	62.7	Low	51 Å²	51	69.4 Å²	69.4	22%	0.224	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-47.3	173	177.6	-95.8	0	0	0	112.2	L507 S509 L510 W516 L517	L507-F513 HydrophobicContact CD1-CD2 4.06Å; S509-F513 PolarHBondContact O-N 3.4Å; L510-F513 PolarHBondContact O-N 3.48Å; F513-W516 HydrophobicContact CD2-CE3 4.14Å; F513-W516 HydrophobicContact CD2-CZ3 4.35Å; F513-W516 HydrophobicContact CE2-CE3 4.04Å; F513-W516 AromaticContact CE2-CZ3 3.8Å; F513-W516 HydrophobicContact CE2-CZ3 3.8Å; F513-W516 HydrophobicContact CZ-CZ3 4.31Å; F513-W516 WeakPolarHBondContact O-CB 3.31Å; F513-W516 PolarHBondContact O-N 3.13Å; F513-L517 HydrophobicContact CE1-CD2 4.24Å; F513-L517 WeakPolarHBondContact O-CB 3.42Å; F513-L517 PolarHBondContact O-N 3.28Å
514	F	64.7	Low	61.9	Low	94 Å²	94	74.3 Å²	74.3	41%	0.412	37%	0.374	S	S	.	.	H	α-helix	trans	-70.3	-34.9	178.5	-80.9	-58.6	0	0	0	113.4	L510 W516 L517 F518	L510-F514 HydrophobicContact CD1-CD2 4.26Å; L510-F514 HydrophobicContact CD1-CE2 3.74Å; L510-F514 HydrophobicContact CD2-CD2 4.18Å; L510-F514 HydrophobicContact CD2-CE2 3.85Å; L510-F514 HydrophobicContact CG-CD2 3.75Å; L510-F514 HydrophobicContact CG-CE2 3.62Å; L510-F514 WeakPolarHBondContact O-CD2 3.44Å; L510-F514 PolarHBondContact O-N 3.41Å; F514-W516 VanDerWaalsContact C-N 3.35Å; F514-L517 PolarHBondContact O-N 3.35Å; F514-F518 AromaticContact CD1-CD2 3.82Å; F514-F518 HydrophobicContact CD1-CD2 3.82Å; F514-F518 AromaticContact CD1-CE2 3.55Å; F514-F518 HydrophobicContact CD1-CE2 3.55Å; F514-F518 AromaticContact CE1-CE2 3.94Å; F514-F518 HydrophobicContact CE1-CE2 3.94Å; F514-F518 WeakPolarHBondContact O-CB 3.43Å; F514-F518 PolarHBondContact O-N 3.1Å
515	R	66.4	Low	61.2	Low	129 Å²	129	80.6 Å²	80.6	49%	0.487	41%	0.408	S	S	.	.	H	α-helix	trans	-61.8	-44.7	170	-76.7	175.5	177.4	174.5	-1.6	110.9	A511 W512 L517 D519	A511-R515 WeakPolarHBondContact O-CB 3.44Å; A511-R515 VanDerWaalsContact O-CG 3.26Å; A511-R515 WeakPolarHBondContact O-CG 3.32Å; A511-R515 PolarHBondContact O-N 3.16Å; W512-R515 PolarHBondContact O-N 2.95Å; R515-L517 VanDerWaalsContact C-N 3.33Å; R515-L517 PolarHBondContact O-N 3.05Å; R515-D519 HydrophobicContact CB-CB 4.47Å; R515-D519 WeakPolarHBondContact O-CA 3.46Å; R515-D519 WeakPolarHBondContact O-CB 3.29Å; R515-D519 PolarHBondContact O-N 3.47Å
516	W	63.5	Low	60.4	Low	82 Å²	82	79.1 Å²	79.1	31%	0.311	40%	0.401	S	S	.	.	H	α-helix	trans	-59.9	-41.8	173.9	168.6	77.2	0	0	0	112.9	L507 W512 F513 F514 F522 F530	L507-W516 HydrophobicContact CD1-CD2 4.29Å; L507-W516 HydrophobicContact CD1-CE3 4.36Å; L507-W516 HydrophobicContact CD1-CG 4.4Å; L507-W516 HydrophobicContact CD2-CB 4.11Å; W512-W516 WeakPolarHBondContact O-CB 3.43Å; W512-W516 PolarHBondContact O-N 3.18Å; F513-W516 HydrophobicContact CD2-CE3 4.14Å; F513-W516 HydrophobicContact CD2-CZ3 4.35Å; F513-W516 HydrophobicContact CE2-CE3 4.04Å; F513-W516 AromaticContact CE2-CZ3 3.8Å; F513-W516 HydrophobicContact CE2-CZ3 3.8Å; F513-W516 HydrophobicContact CZ-CZ3 4.31Å; F513-W516 WeakPolarHBondContact O-CB 3.31Å; F513-W516 PolarHBondContact O-N 3.13Å; F514-W516 VanDerWaalsContact C-N 3.35Å; W516-F522 HydrophobicContact CB-CD1 3.99Å; W516-F522 HydrophobicContact CB-CE1 3.83Å; W516-F522 HydrophobicContact CG-CE1 4.34Å; W516-F530 AromaticContact CD1-CZ 3.86Å
517	L	67.2	Low	60.1	Low	83 Å²	83	83.4 Å²	83.4	44%	0.435	41%	0.409	S	S	.	.	H	α-helix	trans	-72.8	-33.8	-176.9	-168.6	67.8	0	0	0	113.3	F513 F514 R515	F513-L517 HydrophobicContact CE1-CD2 4.24Å; F513-L517 WeakPolarHBondContact O-CB 3.42Å; F513-L517 PolarHBondContact O-N 3.28Å; F514-L517 PolarHBondContact O-N 3.35Å; R515-L517 VanDerWaalsContact C-N 3.33Å; R515-L517 PolarHBondContact O-N 3.05Å
518	F	69.6	Low	59.6	Low	152 Å²	152	87.3 Å²	87.3	67%	0.667	43%	0.433	S	S	*	.	H	α-helix	trans	-120.7	-14.4	-169.2	-65.5	-62.6	0	0	0	115.4	F514	F514-F518 AromaticContact CD1-CD2 3.82Å; F514-F518 HydrophobicContact CD1-CD2 3.82Å; F514-F518 AromaticContact CD1-CE2 3.55Å; F514-F518 HydrophobicContact CD1-CE2 3.55Å; F514-F518 AromaticContact CE1-CE2 3.94Å; F514-F518 HydrophobicContact CE1-CE2 3.94Å; F514-F518 WeakPolarHBondContact O-CB 3.43Å; F514-F518 PolarHBondContact O-N 3.1Å
519	D	69.2	Low	59.4	Low	61 Å²	61	90.3 Å²	90.3	33%	0.326	44%	0.435	S	S	.	.			trans	-97.8	112	-177.1	-163.1	-18.6	0	0	0	111.9	R515 T521 F522	R515-D519 HydrophobicContact CB-CB 4.47Å; R515-D519 WeakPolarHBondContact O-CA 3.46Å; R515-D519 WeakPolarHBondContact O-CB 3.29Å; R515-D519 PolarHBondContact O-N 3.47Å; D519-T521 VanDerWaalsContact C-N 3.26Å; D519-T521 VanDerWaalsContact CG-OG1 3.24Å; D519-T521 PolarHBondContact O-N 3.38Å; D519-T521 WeakPolarHBondContact OD1-CB 3.49Å; D519-T521 PolarHBondContact OD1-N 2.9Å; D519-T521 PolarHBondContact OD1-OG1 2.97Å; D519-T521 PolarHBondContact OD2-OG1 2.91Å; D519-F522 HydrophobicContact CB-CB 4.1Å; D519-F522 PolarHBondContact O-N 3Å
520	K	65.8	Low	59.2	Low	177 Å²	177	90.9 Å²	90.9	77%	0.77	44%	0.436	S	S	*	.	H	α-helix	trans	-68.5	-23.4	178.7	-66.6	-169.2	178.9	-177	0	113.1
521	T	61.6	Low	59	Low	93 Å²	93	93.7 Å²	93.7	57%	0.571	45%	0.448	S	S	*	.	H	α-helix	trans	-74.2	-35.1	178.9	63.5	0	0	0	0	111.4	D519 L523 N524 D525	D519-T521 VanDerWaalsContact C-N 3.26Å; D519-T521 VanDerWaalsContact CG-OG1 3.24Å; D519-T521 PolarHBondContact O-N 3.38Å; D519-T521 WeakPolarHBondContact OD1-CB 3.49Å; D519-T521 PolarHBondContact OD1-N 2.9Å; D519-T521 PolarHBondContact OD1-OG1 2.97Å; D519-T521 PolarHBondContact OD2-OG1 2.91Å; T521-L523 VanDerWaalsContact C-N 3.27Å; T521-L523 PolarHBondContact O-N 2.82Å; T521-N524 PolarHBondContact O-N 3.18Å; T521-D525 PolarHBondContact O-N 2.85Å
522	F	56.9	Low	58.7	Low	34 Å²	34	92.2 Å²	92.2	15%	0.149	43%	0.434	C	S	.	.	H	α-helix	trans	-63.1	-30.9	176.5	-170.1	-94.1	0	0	0	112.9	W512 W516 D519 G526 F530	W512-F522 HydrophobicContact CE3-CD2 4.37Å; W512-F522 AromaticContact CE3-CE2 3.63Å; W512-F522 HydrophobicContact CE3-CE2 3.63Å; W512-F522 HydrophobicContact CE3-CZ 4.27Å; W512-F522 HydrophobicContact CZ3-CD2 4.16Å; W512-F522 AromaticContact CZ3-CE2 3.6Å; W512-F522 HydrophobicContact CZ3-CE2 3.6Å; W516-F522 HydrophobicContact CB-CD1 3.99Å; W516-F522 HydrophobicContact CB-CE1 3.83Å; W516-F522 HydrophobicContact CG-CE1 4.34Å; D519-F522 HydrophobicContact CB-CB 4.1Å; D519-F522 PolarHBondContact O-N 3Å; F522-G526 WeakPolarHBondContact O-CA 3.39Å; F522-G526 PolarHBondContact O-N 3.21Å; F522-F530 HydrophobicContact CE1-CZ 4.2Å
523	L	56.3	Low	58.3	Low	96 Å²	96	88.6 Å²	88.6	50%	0.503	42%	0.421	S	S	.	.	H	α-helix	trans	-73.6	-30	177	-68	173.3	0	0	0	113.2	T521	T521-L523 VanDerWaalsContact C-N 3.27Å; T521-L523 PolarHBondContact O-N 2.82Å
524	N	54.9	Low	57.9	Low	139 Å²	139	87.4 Å²	87.4	74%	0.743	42%	0.416	S	S	*	.	H	α-helix	trans	-81.1	-40.9	-179.6	-75.6	-13.1	0	0	0	112.3	T521	T521-N524 PolarHBondContact O-N 3.18Å
525	D	54.6	Low	57.6	Low	135 Å²	135	85.4 Å²	85.4	72%	0.722	41%	0.409	S	S	*	.	H	α-helix	trans	-83.4	-15.6	173.4	-85.5	-18.4	0	0	0	113.2	T521 K527 T528	T521-D525 PolarHBondContact O-N 2.85Å; D525-K527 VanDerWaalsContact C-N 3.31Å; D525-K527 PolarHBondContact O-N 3.02Å; D525-T528 PolarHBondContact O-OG1 3.34Å; D525-T528 VanDerWaalsContact O-OG1 3.13Å
526	G	51	Low	57.2	Low	4 Å²	4	79.9 Å²	79.9	4%	0.041	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.7	-174.7	0	0	0	0	0	115	F522 T528 R529 F530	F522-G526 WeakPolarHBondContact O-CA 3.39Å; F522-G526 PolarHBondContact O-N 3.21Å; G526-T528 PolarHBondContact O-N 3.33Å; G526-R529 PolarHBondContact O-N 3.09Å; G526-F530 WeakPolarHBondContact O-CD2 3.21Å; G526-F530 PolarHBondContact O-N 3.16Å
527	K	51.1	Low	57.1	Low	131 Å²	131	80.1 Å²	80.1	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-56.4	-38	-176.7	-165.4	178.1	179	-173.4	0	112.5	D525 E531	D525-K527 VanDerWaalsContact C-N 3.31Å; D525-K527 PolarHBondContact O-N 3.02Å; K527-E531 PolarHBondContact O-N 3.01Å
528	T	48	Very low	57.2	Low	88 Å²	88	79.3 Å²	79.3	54%	0.54	39%	0.392	S	S	.	.	H	α-helix	trans	-74.3	-25.1	177.9	55.4	0	0	0	0	113.4	D525 G526 C532	D525-T528 PolarHBondContact O-OG1 3.34Å; D525-T528 VanDerWaalsContact O-OG1 3.13Å; G526-T528 PolarHBondContact O-N 3.33Å; T528-C532 PolarHBondContact O-SG 3.11Å
529	R	51	Low	57.6	Low	143 Å²	143	72.4 Å²	72.4	54%	0.54	36%	0.363	S	S	.	.	H	α-helix	trans	-89.2	-30.1	179	-163.2	173.4	-174.1	172	1.5	113	G526 E531 C532	G526-R529 PolarHBondContact O-N 3.09Å; R529-E531 VanDerWaalsContact C-N 3.3Å; R529-C532 WeakPolarHBondContact O-CB 3.44Å; R529-C532 PolarHBondContact O-N 3.46Å; R529-C532 VanDerWaalsContact O-N 3.15Å
530	F	54.2	Low	58.1	Low	25 Å²	25	69.6 Å²	69.6	11%	0.11	35%	0.349	C	S	.	.	H	α-helix	trans	-70.5	-25.7	172.5	-68.8	-64	0	0	0	112.2	W516 F522 G526 C532 V533 F670 L674	W516-F530 AromaticContact CD1-CZ 3.86Å; F522-F530 HydrophobicContact CE1-CZ 4.2Å; G526-F530 WeakPolarHBondContact O-CD2 3.21Å; G526-F530 PolarHBondContact O-N 3.16Å; F530-C532 PolarHBondContact O-N 3.47Å; F530-V533 HydrophobicContact CD1-CG2 4.19Å; F530-V533 WeakPolarHBondContact O-CB 3.16Å; F530-V533 PolarHBondContact O-N 3.37Å; F530-V533 VanDerWaalsContact O-N 3.08Å; F530-F670 AromaticContact CD1-CZ 3.94Å; F530-F670 HydrophobicContact CD1-CZ 3.94Å; F530-F670 HydrophobicContact CG-CZ 4.41Å; F530-L674 HydrophobicContact CB-CD1 3.77Å; F530-L674 HydrophobicContact CB-CD2 3.5Å; F530-L674 VanDerWaalsContact CB-CD2 3.5Å; F530-L674 HydrophobicContact CB-CG 4.29Å; F530-L674 HydrophobicContact CG-CD2 4.36Å; F530-L674 WeakPolarHBondContact O-CD1 3.23Å
531	E	51.4	Low	58.8	Low	108 Å²	108	65.4 Å²	65.4	51%	0.505	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-59.2	-30.3	167.9	-77	173.5	-174.3	0	0	112	K527 R529	K527-E531 PolarHBondContact O-N 3.01Å; R529-E531 VanDerWaalsContact C-N 3.3Å
532	C	51.6	Low	59.9	Low	22 Å²	22	61 Å²	61	15%	0.149	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-76.6	-16.4	176.1	-38.8	0	0	0	0	113.7	C18 T528 R529 F530 F534 L535	C18-C532 WeakPolarHBondContact CA-SG 3.5Å; C18-C532 HydrophobicContact CB-CB 3.88Å; C18-C532 WeakPolarHBondContact CB-SG 3.23Å; C18-C532 WeakPolarHBondContact SG-CB 3.4Å; C18-C532 CovalentContact SG-SG 2.04Å; C18-C532 PolarHBondContact SG-SG 2.83Å; T528-C532 PolarHBondContact O-SG 3.11Å; R529-C532 WeakPolarHBondContact O-CB 3.44Å; R529-C532 PolarHBondContact O-N 3.46Å; R529-C532 VanDerWaalsContact O-N 3.15Å; F530-C532 PolarHBondContact O-N 3.47Å; C532-F534 VanDerWaalsContact C-N 3.27Å; C532-F534 PolarHBondContact O-N 2.99Å; C532-L535 HydrophobicContact CB-CD1 3.73Å; C532-L535 WeakPolarHBondContact O-CB 3.34Å; C532-L535 VanDerWaalsContact O-CD1 3.27Å; C532-L535 WeakPolarHBondContact O-CD1 3.48Å; C532-L535 WeakPolarHBondContact O-CG 3.48Å; C532-L535 PolarHBondContact O-N 3.29Å
533	V	53.8	Low	61.4	Low	13 Å²	13	59.4 Å²	59.4	8%	0.079	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-66.9	-29.8	-179.2	151.3	0	0	0	0	112.2	S504 F530 F670	S504-V533 WeakPolarHBondContact O-CB 3.19Å; S504-V533 WeakPolarHBondContact O-CG1 3.16Å; S504-V533 WeakPolarHBondContact O-CG2 3.14Å; F530-V533 HydrophobicContact CD1-CG2 4.19Å; F530-V533 WeakPolarHBondContact O-CB 3.16Å; F530-V533 PolarHBondContact O-N 3.37Å; F530-V533 VanDerWaalsContact O-N 3.08Å; V533-F670 HydrophobicContact CG1-CE1 4Å
534	F	53.3	Low	62.8	Low	27 Å²	27	55.3 Å²	55.3	12%	0.118	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-105.2	22.1	179.2	-68	-74.6	0	0	0	113.3	C532 I613 W667 F670 F671 L674	C532-F534 VanDerWaalsContact C-N 3.27Å; C532-F534 PolarHBondContact O-N 2.99Å; F534-I613 HydrophobicContact CD1-CD1 4.49Å; F534-I613 HydrophobicContact CE1-CD1 4.01Å; F534-W667 AromaticContact CE1-CE3 3.47Å; F534-W667 HydrophobicContact CE1-CE3 3.47Å; F534-W667 VanDerWaalsContact CE1-CE3 3.47Å; F534-W667 AromaticContact CE1-CZ3 3.7Å; F534-W667 HydrophobicContact CE1-CZ3 3.7Å; F534-W667 AromaticContact CZ-CE3 3.49Å; F534-W667 HydrophobicContact CZ-CE3 3.49Å; F534-W667 VanDerWaalsContact CZ-CE3 3.49Å; F534-W667 AromaticContact CZ-CZ3 3.61Å; F534-W667 HydrophobicContact CZ-CZ3 3.61Å; F534-F670 HydrophobicContact CD2-CD1 4.49Å; F534-F670 HydrophobicContact CD2-CE1 4.45Å; F534-F670 AromaticContact CE2-CD1 3.23Å; F534-F670 HydrophobicContact CE2-CD1 3.23Å; F534-F670 AromaticContact CE2-CE1 3.5Å; F534-F670 HydrophobicContact CE2-CE1 3.5Å; F534-F670 HydrophobicContact CE2-CG 4.05Å; F534-F670 HydrophobicContact CZ-CB 4.3Å; F534-F670 AromaticContact CZ-CD1 3.32Å; F534-F670 HydrophobicContact CZ-CD1 3.32Å; F534-F670 AromaticContact CZ-CE1 3.96Å; F534-F670 HydrophobicContact CZ-CE1 3.96Å; F534-F670 HydrophobicContact CZ-CG 4.16Å; F534-F671 HydrophobicContact CB-CD2 3.81Å; F534-F671 HydrophobicContact CB-CE2 3.97Å; F534-F671 AromaticContact CD1-CD2 3.82Å; F534-F671 HydrophobicContact CD1-CD2 3.82Å; F534-F671 AromaticContact CD2-CD2 3.96Å; F534-F671 HydrophobicContact CD2-CD2 3.96Å; F534-F671 HydrophobicContact CE1-CB 4.12Å; F534-F671 HydrophobicContact CE1-CD2 4.22Å; F534-F671 HydrophobicContact CE2-CB 4.09Å; F534-F671 HydrophobicContact CE2-CD2 4.34Å; F534-F671 AromaticContact CG-CD2 3.63Å; F534-F671 HydrophobicContact CG-CD2 3.63Å; F534-F671 HydrophobicContact CG-CE2 4.31Å; F534-F671 HydrophobicContact CZ-CB 3.81Å; F534-F671 HydrophobicContact CZ-CD2 4.42Å; F534-L674 HydrophobicContact CD2-CD1 3.68Å; F534-L674 HydrophobicContact CE2-CD1 3.58Å
535	L	58.6	Low	64.3	Low	51 Å²	51	51.1 Å²	51.1	27%	0.267	25%	0.249	S	C	.	.			trans	-53.2	134.1	169.7	-85.8	156.8	0	0	0	108.7	C18 C532 D537 Q538	C18-L535 HydrophobicContact CB-CD1 4.18Å; C532-L535 HydrophobicContact CB-CD1 3.73Å; C532-L535 WeakPolarHBondContact O-CB 3.34Å; C532-L535 VanDerWaalsContact O-CD1 3.27Å; C532-L535 WeakPolarHBondContact O-CD1 3.48Å; C532-L535 WeakPolarHBondContact O-CG 3.48Å; C532-L535 PolarHBondContact O-N 3.29Å; L535-D537 PolarHBondContact O-N 3.27Å; L535-Q538 WeakPolarHBondContact O-CB 3.3Å; L535-Q538 PolarHBondContact O-N 3.46Å
536	P	57.2	Low	66.1	Low	13 Å²	13	44.7 Å²	44.7	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-55.5	-24.5	-178.9	-25.3	31.3	0	0	0	114.8	F156 F163 T167 Q538 G539 A540	F156-P536 HydrophobicContact CE1-CG 4.34Å; F156-P536 HydrophobicContact CE2-CG 3.81Å; F156-P536 HydrophobicContact CZ-CG 3.48Å; F156-P536 VanDerWaalsContact CZ-CG 3.48Å; F163-P536 HydrophobicContact CD1-CB 4.3Å; F163-P536 WeakPolarHBondContact CD1-O 3.47Å; F163-P536 VanDerWaalsContact CE1-O 3.31Å; F163-P536 WeakPolarHBondContact CE1-O 3.46Å; T167-P536 HydrophobicContact CG2-CB 4.02Å; P536-Q538 PolarHBondContact O-N 2.91Å; P536-G539 WeakPolarHBondContact O-CA 3.38Å; P536-G539 PolarHBondContact O-N 2.95Å; P536-A540 PolarHBondContact O-N 3.42Å
537	D	62.8	Low	67.9	Low	88 Å²	88	44.5 Å²	44.5	47%	0.471	21%	0.213	S	C	.	.	H	α-helix	trans	-60.4	-29.7	174.3	-58.7	-30.9	0	0	0	112.8	L535 A540 F541	L535-D537 PolarHBondContact O-N 3.27Å; D537-A540 PolarHBondContact O-N 2.93Å; D537-F541 PolarHBondContact O-N 2.87Å
538	Q	68.6	Low	69.7	Low	66 Å²	66	39.9 Å²	39.9	31%	0.308	20%	0.199	S	C	.	.	H	α-helix	trans	-69.8	-34.5	171.2	-65.3	-63.4	-21.9	0	0	111.9	L535 P536 A540 F541 F542	L535-Q538 WeakPolarHBondContact O-CB 3.3Å; L535-Q538 PolarHBondContact O-N 3.46Å; P536-Q538 PolarHBondContact O-N 2.91Å; Q538-A540 VanDerWaalsContact C-N 3.32Å; Q538-A540 PolarHBondContact O-N 2.92Å; Q538-F541 WeakPolarHBondContact O-CB 3.47Å; Q538-F541 PolarHBondContact O-N 2.88Å; Q538-F542 VanDerWaalsContact O-CD2 3.3Å; Q538-F542 WeakPolarHBondContact O-CD2 3.11Å; Q538-F542 PolarHBondContact O-N 2.96Å
539	G	77.7	Confident	71.6	Confident	6 Å²	6	36.1 Å²	36.1	6%	0.062	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-40.4	172.8	0	0	0	0	0	112.1	P536 F541 F542 V543	P536-G539 WeakPolarHBondContact O-CA 3.38Å; P536-G539 PolarHBondContact O-N 2.95Å; G539-F541 VanDerWaalsContact C-N 3.34Å; G539-F541 PolarHBondContact O-N 3.29Å; G539-F542 PolarHBondContact O-N 2.84Å; G539-V543 WeakPolarHBondContact O-CG2 3.4Å; G539-V543 PolarHBondContact O-N 3.18Å; G539-V543 VanDerWaalsContact O-N 3.12Å
540	A	80.3	Confident	73.6	Confident	3 Å²	3	29.3 Å²	29.3	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-38.2	176.4	0	0	0	0	0	111.9	F163 P536 D537 Q538 F542 V543 N544	F163-A540 HydrophobicContact CD1-CB 3.83Å; F163-A540 HydrophobicContact CD2-CB 4.07Å; F163-A540 HydrophobicContact CE1-CB 3.84Å; F163-A540 HydrophobicContact CE2-CB 4.08Å; F163-A540 HydrophobicContact CG-CB 3.94Å; F163-A540 HydrophobicContact CZ-CB 3.96Å; P536-A540 PolarHBondContact O-N 3.42Å; D537-A540 PolarHBondContact O-N 2.93Å; Q538-A540 VanDerWaalsContact C-N 3.32Å; Q538-A540 PolarHBondContact O-N 2.92Å; A540-F542 PolarHBondContact O-N 3.35Å; A540-V543 PolarHBondContact O-N 3.28Å; A540-N544 WeakPolarHBondContact O-CB 3.42Å; A540-N544 VanDerWaalsContact O-CG 3.3Å; A540-N544 PolarHBondContact O-N 3.44Å; A540-N544 PolarHBondContact O-ND2 2.93Å
541	F	80.3	Confident	75.4	Confident	89 Å²	89	28.4 Å²	28.4	39%	0.39	15%	0.148	S	C	.	.	H	α-helix	trans	-56.8	-48.5	173.6	170.4	-95.7	0	0	0	112.4	D537 Q538 G539 V543 N544 Y545	D537-F541 PolarHBondContact O-N 2.87Å; Q538-F541 WeakPolarHBondContact O-CB 3.47Å; Q538-F541 PolarHBondContact O-N 2.88Å; G539-F541 VanDerWaalsContact C-N 3.34Å; G539-F541 PolarHBondContact O-N 3.29Å; F541-V543 PolarHBondContact O-N 3.32Å; F541-N544 PolarHBondContact O-N 3.43Å; F541-Y545 WeakPolarHBondContact O-CB 3.26Å; F541-Y545 PolarHBondContact O-N 3.28Å
542	F	84.6	Confident	77.2	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.9	-33	179.7	-76.6	-71.8	0	0	0	113.2	V499 L500 Q538 G539 A540 Y545 V546 V606 Y610 I617	V499-F542 HydrophobicContact CG1-CE1 4.37Å; V499-F542 WeakPolarHBondContact O-CE1 3.29Å; V499-F542 WeakPolarHBondContact O-CZ 3.16Å; L500-F542 HydrophobicContact CD1-CE1 4.3Å; L500-F542 HydrophobicContact CD1-CZ 4.24Å; Q538-F542 VanDerWaalsContact O-CD2 3.3Å; Q538-F542 WeakPolarHBondContact O-CD2 3.11Å; Q538-F542 PolarHBondContact O-N 2.96Å; G539-F542 PolarHBondContact O-N 2.84Å; A540-F542 PolarHBondContact O-N 3.35Å; F542-Y545 PolarHBondContact O-N 2.78Å; F542-V546 WeakPolarHBondContact O-CG2 3.37Å; F542-V546 PolarHBondContact O-N 2.9Å; F542-V606 HydrophobicContact CD1-CG1 3.77Å; F542-V606 HydrophobicContact CE1-CG1 4.41Å; F542-V606 HydrophobicContact CG-CG1 4.48Å; F542-Y610 HydrophobicContact CB-CD2 4.31Å; F542-Y610 HydrophobicContact CB-CE2 4.38Å; F542-Y610 HydrophobicContact CD1-CE2 4.15Å; F542-Y610 HydrophobicContact CD2-CD2 4.11Å; F542-Y610 HydrophobicContact CD2-CE1 4.12Å; F542-Y610 AromaticContact CD2-CE2 3.36Å; F542-Y610 HydrophobicContact CD2-CE2 3.36Å; F542-Y610 AromaticContact CD2-CZ 3.39Å; F542-Y610 WeakPolarHBondContact CD2-OH 3.2Å; F542-Y610 HydrophobicContact CE1-CE2 4.29Å; F542-Y610 AromaticContact CE2-CE2 3.55Å; F542-Y610 HydrophobicContact CE2-CE2 3.55Å; F542-Y610 AromaticContact CE2-CZ 3.5Å; F542-Y610 VanDerWaalsContact CE2-CZ 3.5Å; F542-Y610 WeakPolarHBondContact CE2-OH 3.35Å; F542-Y610 HydrophobicContact CG-CD2 4.07Å; F542-Y610 AromaticContact CG-CE2 3.69Å; F542-Y610 HydrophobicContact CG-CE2 3.69Å; F542-Y610 HydrophobicContact CZ-CE2 4.02Å; F542-I617 HydrophobicContact CB-CD1 4.04Å
543	V	88.9	Confident	78.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-48.4	171.1	172.8	0	0	0	0	110.5	V34 F163 G539 A540 F541 Y545 V546 I547 I616 I617 F620	V34-V543 HydrophobicContact CG1-CG1 3.89Å; V34-V543 HydrophobicContact CG2-CB 4.44Å; V34-V543 HydrophobicContact CG2-CG1 4.02Å; F163-V543 HydrophobicContact CZ-CG2 4.1Å; G539-V543 WeakPolarHBondContact O-CG2 3.4Å; G539-V543 PolarHBondContact O-N 3.18Å; G539-V543 VanDerWaalsContact O-N 3.12Å; A540-V543 PolarHBondContact O-N 3.28Å; F541-V543 PolarHBondContact O-N 3.32Å; V543-Y545 VanDerWaalsContact C-N 3.31Å; V543-Y545 PolarHBondContact O-N 2.91Å; V543-V546 PolarHBondContact O-N 2.84Å; V543-I547 HydrophobicContact CG1-CD1 3.85Å; V543-I547 WeakPolarHBondContact O-CG1 3.31Å; V543-I547 PolarHBondContact O-N 3.47Å; V543-I616 HydrophobicContact CG1-CG2 4.37Å; V543-I616 HydrophobicContact CG2-CG2 4.48Å; V543-I617 HydrophobicContact CG2-CB 3.94Å; V543-I617 HydrophobicContact CG2-CG1 4.22Å; V543-F620 HydrophobicContact CG1-CD2 3.79Å; V543-F620 HydrophobicContact CG1-CE2 3.99Å
544	N	85.3	Confident	80.6	Confident	10 Å²	10	24.6 Å²	24.6	5%	0.053	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-40.7	176.5	-73.9	-31.8	0	0	0	112.2	G32 V34 V37 A540 F541 I547 A548	G32-N544 PolarHBondContact O-ND2 3.43Å; V34-N544 VanDerWaalsContact CA-OD1 3.32Å; V34-N544 WeakPolarHBondContact CA-OD1 3.41Å; V37-N544 WeakPolarHBondContact CB-OD1 3.45Å; V37-N544 HydrophobicContact CG1-CB 4.06Å; A540-N544 WeakPolarHBondContact O-CB 3.42Å; A540-N544 VanDerWaalsContact O-CG 3.3Å; A540-N544 PolarHBondContact O-N 3.44Å; A540-N544 PolarHBondContact O-ND2 2.93Å; F541-N544 PolarHBondContact O-N 3.43Å; N544-I547 PolarHBondContact O-N 2.95Å; N544-A548 WeakPolarHBondContact O-CB 3.2Å; N544-A548 PolarHBondContact O-N 2.96Å
545	Y	86.6	Confident	82.3	Confident	51 Å²	51	23.4 Å²	23.4	20%	0.2	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-48.4	174.3	169.6	-97.8	0	0	0	112	V499 F541 F542 V543 I547 A548 A549	V499-Y545 HydrophobicContact CG1-CD1 4.45Å; V499-Y545 HydrophobicContact CG1-CE1 3.88Å; V499-Y545 HydrophobicContact CG1-CE2 4.16Å; F541-Y545 WeakPolarHBondContact O-CB 3.26Å; F541-Y545 PolarHBondContact O-N 3.28Å; F542-Y545 PolarHBondContact O-N 2.78Å; V543-Y545 VanDerWaalsContact C-N 3.31Å; V543-Y545 PolarHBondContact O-N 2.91Å; Y545-I547 VanDerWaalsContact C-N 3.35Å; Y545-I547 PolarHBondContact O-N 3.4Å; Y545-A548 PolarHBondContact O-N 3.41Å; Y545-A549 WeakPolarHBondContact O-CB 3.27Å; Y545-A549 PolarHBondContact O-N 3.26Å
546	V	91.4	Very high	83.6	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.8	-38.9	179	172.2	0	0	0	0	111.3	F542 V543 A549 A550 V606 I607 I617 F620	F542-V546 WeakPolarHBondContact O-CG2 3.37Å; F542-V546 PolarHBondContact O-N 2.9Å; V543-V546 PolarHBondContact O-N 2.84Å; V546-A549 PolarHBondContact O-N 3.02Å; V546-A550 VanDerWaalsContact O-CB 3.28Å; V546-A550 WeakPolarHBondContact O-CB 3.41Å; V546-A550 PolarHBondContact O-N 2.91Å; V546-V606 HydrophobicContact CG2-CG1 4.42Å; V546-I607 HydrophobicContact CG1-CG1 4.37Å; V546-I607 HydrophobicContact CG2-CG1 4.19Å; V546-I617 HydrophobicContact CB-CG1 4.38Å; V546-I617 HydrophobicContact CG2-CD1 3.92Å; V546-I617 HydrophobicContact CG2-CG1 3.94Å; V546-F620 HydrophobicContact CG1-CB 4.18Å
547	I	89.6	Confident	85	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-47.1	174.9	-71	167.5	0	0	0	111.1	V34 L38 N41 V543 N544 Y545 A550 L551 F620	V34-I547 HydrophobicContact CG1-CD1 3.75Å; L38-I547 HydrophobicContact CB-CD1 4.42Å; L38-I547 HydrophobicContact CB-CG2 4.36Å; L38-I547 HydrophobicContact CD1-CD1 4.43Å; L38-I547 HydrophobicContact CD1-CG1 4.47Å; L38-I547 HydrophobicContact CD1-CG2 3.75Å; N41-I547 HydrophobicContact CB-CG2 4.24Å; V543-I547 HydrophobicContact CG1-CD1 3.85Å; V543-I547 WeakPolarHBondContact O-CG1 3.31Å; V543-I547 PolarHBondContact O-N 3.47Å; N544-I547 PolarHBondContact O-N 2.95Å; Y545-I547 VanDerWaalsContact C-N 3.35Å; Y545-I547 PolarHBondContact O-N 3.4Å; I547-A550 PolarHBondContact O-N 3.2Å; I547-L551 HydrophobicContact CG2-CD1 4.13Å; I547-L551 PolarHBondContact O-N 3.47Å; I547-F620 HydrophobicContact CD1-CD1 3.98Å; I547-F620 HydrophobicContact CD1-CD2 4.07Å; I547-F620 HydrophobicContact CD1-CE1 3.97Å; I547-F620 HydrophobicContact CD1-CE2 4.06Å; I547-F620 HydrophobicContact CD1-CG 4.03Å; I547-F620 HydrophobicContact CD1-CZ 4.01Å; I547-F620 HydrophobicContact CG1-CB 3.98Å; I547-F620 HydrophobicContact CG1-CD1 3.62Å; I547-F620 HydrophobicContact CG1-CD2 4.15Å; I547-F620 HydrophobicContact CG1-CE1 4.11Å; I547-F620 HydrophobicContact CG1-CG 3.65Å
548	A	88.3	Confident	86.1	Confident	33 Å²	33	21.4 Å²	21.4	27%	0.273	12%	0.117	S	C	.	.	H	α-helix	trans	-63.5	-42.2	177.7	0	0	0	0	0	111.6	N41 N544 Y545 A550 V552 G553	N41-A548 WeakPolarHBondContact OD1-CA 3.25Å; N544-A548 WeakPolarHBondContact O-CB 3.2Å; N544-A548 PolarHBondContact O-N 2.96Å; Y545-A548 PolarHBondContact O-N 3.41Å; A548-A550 PolarHBondContact O-N 2.93Å; A548-V552 WeakPolarHBondContact O-CA 3.24Å; A548-V552 WeakPolarHBondContact O-CB 3.36Å; A548-V552 PolarHBondContact O-N 3.43Å; A548-G553 PolarHBondContact O-N 3.19Å
549	A	88.9	Confident	86.7	Confident	10 Å²	10	19.3 Å²	19.3	8%	0.083	11%	0.108	C	C	.	.	I	π-helix	trans	-63.5	-39.4	174.8	0	0	0	0	0	112.3	Y545 V546 G553 S554 Y624	Y545-A549 WeakPolarHBondContact O-CB 3.27Å; Y545-A549 PolarHBondContact O-N 3.26Å; V546-A549 PolarHBondContact O-N 3.02Å; A549-G553 VanDerWaalsContact O-CA 3.25Å; A549-G553 WeakPolarHBondContact O-CA 3.09Å; A549-G553 PolarHBondContact O-N 2.87Å; A549-S554 PolarHBondContact O-N 3.44Å; A549-Y624 HydrophobicContact CB-CD2 4.19Å; A549-Y624 HydrophobicContact CB-CE2 4.28Å
550	A	92.9	Very high	86.8	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	I	π-helix	trans	-63	-50.3	178.3	0	0	0	0	0	112.2	V546 I547 A548 S554 L623 Y624 L627	V546-A550 VanDerWaalsContact O-CB 3.28Å; V546-A550 WeakPolarHBondContact O-CB 3.41Å; V546-A550 PolarHBondContact O-N 2.91Å; I547-A550 PolarHBondContact O-N 3.2Å; A548-A550 PolarHBondContact O-N 2.93Å; A550-S554 WeakPolarHBondContact O-CB 3.3Å; A550-S554 PolarHBondContact O-OG 3.38Å; A550-L623 HydrophobicContact CB-CG 4.49Å; A550-Y624 HydrophobicContact CB-CD2 4.38Å; A550-L627 VanDerWaalsContact O-CD1 3.3Å; A550-L627 WeakPolarHBondContact O-CD1 3.46Å
551	L	91.6	Very high	86.5	Confident	6 Å²	6	26 Å²	26	3%	0.031	14%	0.135	C	C	.	.	I	π-helix	trans	-90.1	-66.5	-171.5	-66	174.4	0	0	0	110.7	L38 N41 F42 F45 I547 G555 L623 L627	L38-L551 HydrophobicContact CD1-CD1 4.05Å; N41-L551 HydrophobicContact CB-CB 4.11Å; N41-L551 HydrophobicContact CB-CD1 3.78Å; F42-L551 HydrophobicContact CB-CD1 4.25Å; F45-L551 HydrophobicContact CB-CB 4.02Å; F45-L551 HydrophobicContact CB-CD2 4.37Å; F45-L551 HydrophobicContact CD1-CD2 4.08Å; F45-L551 WeakPolarHBondContact CD2-O 3.45Å; F45-L551 HydrophobicContact CG-CB 4.39Å; F45-L551 HydrophobicContact CG-CD2 4.18Å; I547-L551 HydrophobicContact CG2-CD1 4.13Å; I547-L551 PolarHBondContact O-N 3.47Å; L551-G555 PolarHBondContact O-N 3.34Å; L551-L623 HydrophobicContact CD2-CD2 4.46Å; L551-L627 HydrophobicContact CD2-CD1 3.97Å
552	V	89.3	Confident	86	Confident	39 Å²	39	26.2 Å²	26.2	24%	0.236	15%	0.146	C	C	.	.	I	π-helix	trans	-67.8	-43.1	-176.9	178.1	0	0	0	0	111.1	N41 V44 L48 A548 G555 M556	N41-V552 HydrophobicContact CB-CG2 4.3Å; N41-V552 WeakPolarHBondContact OD1-CG2 3.36Å; V44-V552 HydrophobicContact CB-CG2 4.12Å; V44-V552 HydrophobicContact CG1-CG2 3.77Å; L48-V552 HydrophobicContact CD1-CG1 4.44Å; A548-V552 WeakPolarHBondContact O-CA 3.24Å; A548-V552 WeakPolarHBondContact O-CB 3.36Å; A548-V552 PolarHBondContact O-N 3.43Å; V552-G555 PolarHBondContact O-N 3.36Å; V552-M556 HydrophobicContact CG1-CG 4.16Å; V552-M556 WeakPolarHBondContact O-CB 3.33Å; V552-M556 WeakPolarHBondContact O-CG 3.11Å; V552-M556 PolarHBondContact O-N 3.03Å
553	G	87.3	Confident	85.4	Confident	23 Å²	23	27.5 Å²	27.5	24%	0.237	16%	0.159	C	C	.	.	I	π-helix	trans	-57.6	-53.5	178	0	0	0	0	0	112.6	A548 A549 G555 M556 E557	A548-G553 PolarHBondContact O-N 3.19Å; A549-G553 VanDerWaalsContact O-CA 3.25Å; A549-G553 WeakPolarHBondContact O-CA 3.09Å; A549-G553 PolarHBondContact O-N 2.87Å; G553-G555 VanDerWaalsContact C-N 3.33Å; G553-G555 PolarHBondContact O-N 3.05Å; G553-M556 PolarHBondContact O-N 3.08Å; G553-E557 WeakPolarHBondContact O-CG 3.48Å; G553-E557 PolarHBondContact O-N 3.42Å
554	S	89.8	Confident	84.7	Confident	1 Å²	1	31 Å²	31	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-39.4	177.4	-54.5	0	0	0	0	112.6	A549 A550 E557 L558	A549-S554 PolarHBondContact O-N 3.44Å; A550-S554 WeakPolarHBondContact O-CB 3.3Å; A550-S554 PolarHBondContact O-OG 3.38Å; S554-E557 PolarHBondContact O-N 3.15Å; S554-L558 WeakPolarHBondContact O-CB 3.37Å; S554-L558 PolarHBondContact O-N 3.09Å
555	G	89.1	Confident	84.2	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-40.2	176.7	0	0	0	0	0	113.1	L551 V552 G553 L558 L559	L551-G555 PolarHBondContact O-N 3.34Å; V552-G555 PolarHBondContact O-N 3.36Å; G553-G555 VanDerWaalsContact C-N 3.33Å; G553-G555 PolarHBondContact O-N 3.05Å; G555-L558 PolarHBondContact O-N 2.96Å; G555-L559 PolarHBondContact O-N 2.94Å
556	M	85.4	Confident	83.6	Confident	63 Å²	63	36.4 Å²	36.4	31%	0.31	21%	0.209	S	C	.	.	H	α-helix	trans	-68.9	-38.3	177.6	-70.4	-66.8	-65.8	0	0	112.6	L48 V552 G553 L559 R560 L561	L48-M556 HydrophobicContact CD1-CG 4.17Å; L48-M556 HydrophobicContact CD1-SD 4.26Å; L48-M556 HydrophobicContact CD2-SD 4.07Å; V552-M556 HydrophobicContact CG1-CG 4.16Å; V552-M556 WeakPolarHBondContact O-CB 3.33Å; V552-M556 WeakPolarHBondContact O-CG 3.11Å; V552-M556 PolarHBondContact O-N 3.03Å; G553-M556 PolarHBondContact O-N 3.08Å; M556-L559 PolarHBondContact O-N 3.33Å; M556-R560 PolarHBondContact O-N 3.47Å; M556-R560 VanDerWaalsContact O-N 3.08Å; M556-L561 HydrophobicContact CE-CB 3.81Å; M556-L561 HydrophobicContact CE-CD1 3.69Å; M556-L561 HydrophobicContact CE-CD2 4.4Å; M556-L561 HydrophobicContact CE-CG 4.17Å; M556-L561 HydrophobicContact SD-CD1 4.15Å
557	E	85.6	Confident	82.9	Confident	44 Å²	44	37 Å²	37	21%	0.206	21%	0.211	C	C	.	.	H	α-helix	trans	-66.9	-38	174.8	-73.6	-177.6	166.9	0	0	112.3	G553 S554 L559 R560 K628 V631 N635	G553-E557 WeakPolarHBondContact O-CG 3.48Å; G553-E557 PolarHBondContact O-N 3.42Å; S554-E557 PolarHBondContact O-N 3.15Å; E557-L559 VanDerWaalsContact C-N 3.31Å; E557-L559 PolarHBondContact O-N 2.92Å; E557-R560 WeakPolarHBondContact O-CG 3.32Å; E557-R560 PolarHBondContact O-N 3.32Å; E557-K628 VanDerWaalsContact CD-NZ 3.31Å; E557-K628 IonicContact OE1-NZ 3.29Å; E557-K628 PolarHBondContact OE1-NZ 3.39Å; E557-K628 VanDerWaalsContact OE2-CD 3.3Å; E557-K628 WeakPolarHBondContact OE2-CD 3.12Å; E557-K628 WeakPolarHBondContact OE2-CE 3.19Å; E557-K628 IonicContact OE2-NZ 3.95Å; E557-K628 PolarHBondContact OE2-NZ 2.62Å; E557-V631 HydrophobicContact CB-CG1 4.11Å; E557-N635 PolarHBondContact O-ND2 2.89Å; E557-N635 VanDerWaalsContact O-ND2 3.07Å
558	L	86.1	Confident	82.4	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-41.4	174.6	-173.6	70.1	0	0	0	111.5	L49 F52 W101 S554 G555 R560 V631 H634	L49-L558 HydrophobicContact CD2-CD2 3.65Å; F52-L558 HydrophobicContact CB-CD2 4.33Å; F52-L558 HydrophobicContact CD1-CD2 3.71Å; F52-L558 HydrophobicContact CD1-CG 4.21Å; F52-L558 HydrophobicContact CD2-CD2 4.13Å; F52-L558 HydrophobicContact CD2-CG 3.81Å; F52-L558 HydrophobicContact CE1-CD1 4.41Å; F52-L558 HydrophobicContact CE1-CD2 4.01Å; F52-L558 HydrophobicContact CE1-CG 4.24Å; F52-L558 HydrophobicContact CE2-CD1 4.19Å; F52-L558 HydrophobicContact CE2-CD2 4.4Å; F52-L558 HydrophobicContact CE2-CG 3.84Å; F52-L558 HydrophobicContact CG-CD2 3.78Å; F52-L558 HydrophobicContact CG-CG 4Å; F52-L558 HydrophobicContact CZ-CD1 4.08Å; F52-L558 HydrophobicContact CZ-CD2 4.35Å; F52-L558 HydrophobicContact CZ-CG 4.06Å; W101-L558 HydrophobicContact CH2-CD1 4.32Å; W101-L558 HydrophobicContact CH2-CD2 3.77Å; W101-L558 HydrophobicContact CZ2-CD2 4.22Å; W101-L558 HydrophobicContact CZ3-CD1 4.24Å; W101-L558 HydrophobicContact CZ3-CD2 4.48Å; S554-L558 WeakPolarHBondContact O-CB 3.37Å; S554-L558 PolarHBondContact O-N 3.09Å; G555-L558 PolarHBondContact O-N 2.96Å; L558-R560 VanDerWaalsContact C-N 3.3Å; L558-R560 PolarHBondContact O-N 2.89Å; L558-V631 HydrophobicContact CB-CG1 3.98Å; L558-V631 HydrophobicContact CB-CG2 4.27Å; L558-V631 HydrophobicContact CD1-CG1 4.19Å; L558-V631 HydrophobicContact CD1-CG2 4.32Å; L558-H634 HydrophobicContact CD1-CB 4.33Å
559	L	81.8	Confident	82	Confident	22 Å²	22	41.5 Å²	41.5	12%	0.115	24%	0.235	C	C	.	.	H	α-helix	trans	-72.9	-20	176.9	-77	164.1	0	0	0	113.7	L48 V51 F52 I55 G555 M556 E557 L561	L48-L559 HydrophobicContact CB-CD1 4.01Å; L48-L559 HydrophobicContact CD2-CD1 3.6Å; L48-L559 HydrophobicContact CG-CD1 4.33Å; V51-L559 HydrophobicContact CG1-CD2 4.01Å; F52-L559 HydrophobicContact CB-CD2 3.66Å; F52-L559 HydrophobicContact CB-CG 4.16Å; F52-L559 HydrophobicContact CD2-CD2 4.25Å; F52-L559 HydrophobicContact CG-CD2 4.48Å; I55-L559 HydrophobicContact CD1-CD2 3.98Å; G555-L559 PolarHBondContact O-N 2.94Å; M556-L559 PolarHBondContact O-N 3.33Å; E557-L559 VanDerWaalsContact C-N 3.31Å; E557-L559 PolarHBondContact O-N 2.92Å; L559-L561 PolarHBondContact O-N 3.26Å
560	R	80.8	Confident	81.6	Confident	77 Å²	77	46.5 Å²	46.5	29%	0.291	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	41.1	-172.4	-59.1	-179	-70.1	164.5	-4.5	112.4	M556 E557 L558 P562 G563 L564 A639	M556-R560 PolarHBondContact O-N 3.47Å; M556-R560 VanDerWaalsContact O-N 3.08Å; E557-R560 WeakPolarHBondContact O-CG 3.32Å; E557-R560 PolarHBondContact O-N 3.32Å; L558-R560 VanDerWaalsContact C-N 3.3Å; L558-R560 PolarHBondContact O-N 2.89Å; R560-P562 VanDerWaalsContact C-CD 3.49Å; R560-G563 PolarHBondContact O-N 2.96Å; R560-L564 PolarHBondContact O-N 3.06Å; R560-A639 PolarHBondContact NH1-O 3.02Å
561	L	72.9	Confident	80.9	Confident	71 Å²	71	48.7 Å²	48.7	37%	0.372	26%	0.263	S	S	.	.	H	α-helix	trans	-53.9	-43	-171.2	-160.8	151.5	0	0	0	113.8	M556 L559 G563 L564 L565	M556-L561 HydrophobicContact CE-CB 3.81Å; M556-L561 HydrophobicContact CE-CD1 3.69Å; M556-L561 HydrophobicContact CE-CD2 4.4Å; M556-L561 HydrophobicContact CE-CG 4.17Å; M556-L561 HydrophobicContact SD-CD1 4.15Å; L559-L561 PolarHBondContact O-N 3.26Å; L561-G563 VanDerWaalsContact C-N 3.33Å; L561-G563 PolarHBondContact O-N 3.36Å; L561-L564 PolarHBondContact O-N 2.81Å; L561-L565 WeakPolarHBondContact O-CB 3.26Å; L561-L565 PolarHBondContact O-N 3.36Å
562	P	69.7	Low	80.4	Confident	95 Å²	95	52.5 Å²	52.5	62%	0.617	28%	0.283	S	S	*	.	H	α-helix	trans	-60.7	-40.5	176.4	-24	34.9	0	0	0	113.3	R560 L565 L566	R560-P562 VanDerWaalsContact C-CD 3.49Å; P562-L565 PolarHBondContact O-N 2.88Å; P562-L566 PolarHBondContact O-N 3.23Å
563	G	71.8	Confident	79.9	Confident	26 Å²	26	54.7 Å²	54.7	27%	0.268	29%	0.293	S	S	.	.	H	α-helix	trans	-67.3	-39.3	176.8	0	0	0	0	0	112.3	R560 L561 Y567	R560-G563 PolarHBondContact O-N 2.96Å; L561-G563 VanDerWaalsContact C-N 3.33Å; L561-G563 PolarHBondContact O-N 3.36Å; G563-Y567 WeakPolarHBondContact O-CB 3.47Å; G563-Y567 PolarHBondContact O-N 2.87Å
564	L	74.9	Confident	79.5	Confident	73 Å²	73	53.9 Å²	53.9	38%	0.382	28%	0.284	S	S	.	.	H	α-helix	trans	-66.3	-39.6	176.1	-169.7	71.1	0	0	0	112	R560 L561 Y567 T568	R560-L564 PolarHBondContact O-N 3.06Å; L561-L564 PolarHBondContact O-N 2.81Å; L564-Y567 HydrophobicContact CD1-CD1 4.45Å; L564-Y567 PolarHBondContact O-N 3.5Å; L564-T568 WeakPolarHBondContact O-CB 3.19Å; L564-T568 PolarHBondContact O-N 3.22Å; L564-T568 PolarHBondContact O-OG1 3.03Å
565	L	74	Confident	78.7	Confident	102 Å²	102	58 Å²	58	53%	0.534	30%	0.299	S	S	.	.	H	α-helix	trans	-65.4	-48	176.7	-167.9	152.5	0	0	0	110.6	L561 P562 Y567 T568 V569	L561-L565 WeakPolarHBondContact O-CB 3.26Å; L561-L565 PolarHBondContact O-N 3.36Å; P562-L565 PolarHBondContact O-N 2.88Å; L565-Y567 VanDerWaalsContact C-N 3.3Å; L565-Y567 PolarHBondContact O-N 2.87Å; L565-T568 PolarHBondContact O-N 3.35Å; L565-T568 VanDerWaalsContact O-N 3.16Å; L565-V569 HydrophobicContact CD2-CG2 3.99Å; L565-V569 WeakPolarHBondContact O-CG2 3.39Å; L565-V569 PolarHBondContact O-N 3.06Å
566	L	74.8	Confident	78.1	Confident	73 Å²	73	58.2 Å²	58.2	38%	0.382	30%	0.301	S	S	.	.	H	α-helix	trans	-60.7	-40.5	176.3	-176.6	63.9	0	0	0	111.9	P562 V569 R570	P562-L566 PolarHBondContact O-N 3.23Å; L566-V569 PolarHBondContact O-N 3.23Å; L566-R570 WeakPolarHBondContact O-CB 3.44Å; L566-R570 VanDerWaalsContact O-CG 3.3Å; L566-R570 WeakPolarHBondContact O-CG 3.28Å; L566-R570 PolarHBondContact O-N 2.71Å
567	Y	76.2	Confident	77.8	Confident	14 Å²	14	57 Å²	57	6%	0.055	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-46.5	174	166.2	-106.9	0	0	0	111.9	Y62 G563 L564 L565 V569 R570 L571 V583 K584 Q587	Y62-Y567 HydrophobicContact CD1-CE1 4.42Å; G563-Y567 WeakPolarHBondContact O-CB 3.47Å; G563-Y567 PolarHBondContact O-N 2.87Å; L564-Y567 HydrophobicContact CD1-CD1 4.45Å; L564-Y567 PolarHBondContact O-N 3.5Å; L565-Y567 VanDerWaalsContact C-N 3.3Å; L565-Y567 PolarHBondContact O-N 2.87Å; Y567-V569 VanDerWaalsContact C-N 3.34Å; Y567-V569 PolarHBondContact O-N 3.27Å; Y567-R570 PolarHBondContact O-N 3.01Å; Y567-L571 WeakPolarHBondContact O-CB 3.49Å; Y567-L571 PolarHBondContact O-N 3.15Å; Y567-V583 HydrophobicContact CD2-CG1 4.06Å; Y567-V583 HydrophobicContact CE2-CG1 4.02Å; Y567-K584 HydrophobicContact CE2-CG 4.41Å; Y567-K584 WeakPolarHBondContact OH-CG 3.4Å; Y567-Q587 HydrophobicContact CD2-CG 3.92Å; Y567-Q587 HydrophobicContact CE2-CG 4.42Å; Y567-Q587 HydrophobicContact CG-CG 4.43Å; Y567-Q587 VanDerWaalsContact CG-NE2 3.35Å
568	T	78.6	Confident	77.4	Confident	65 Å²	65	55 Å²	55	40%	0.399	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-43.4	178.6	-54.6	0	0	0	0	111	L564 L565 L571 I572	L564-T568 WeakPolarHBondContact O-CB 3.19Å; L564-T568 PolarHBondContact O-N 3.22Å; L564-T568 PolarHBondContact O-OG1 3.03Å; L565-T568 PolarHBondContact O-N 3.35Å; L565-T568 VanDerWaalsContact O-N 3.16Å; T568-L571 WeakPolarHBondContact O-CB 3.48Å; T568-L571 PolarHBondContact O-N 3.36Å; T568-I572 HydrophobicContact CG2-CD1 4.11Å; T568-I572 VanDerWaalsContact O-CG1 3.28Å; T568-I572 WeakPolarHBondContact O-CG1 3.46Å; T568-I572 PolarHBondContact O-N 3.35Å
569	V	80.3	Confident	77	Confident	62 Å²	62	55.2 Å²	55.2	38%	0.376	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-46.6	174.5	171.7	0	0	0	0	111.1	L565 L566 Y567 L571 I572 L573	L565-V569 HydrophobicContact CD2-CG2 3.99Å; L565-V569 WeakPolarHBondContact O-CG2 3.39Å; L565-V569 PolarHBondContact O-N 3.06Å; L566-V569 PolarHBondContact O-N 3.23Å; Y567-V569 VanDerWaalsContact C-N 3.34Å; Y567-V569 PolarHBondContact O-N 3.27Å; V569-L571 VanDerWaalsContact C-N 3.27Å; V569-L571 PolarHBondContact O-N 2.87Å; V569-I572 PolarHBondContact O-N 3.4Å; V569-L573 HydrophobicContact CG1-CD1 3.8Å; V569-L573 HydrophobicContact CG1-CG 4.32Å; V569-L573 VanDerWaalsContact O-CG 3.31Å; V569-L573 WeakPolarHBondContact O-CG 3.44Å; V569-L573 PolarHBondContact O-N 3.47Å
570	R	79.8	Confident	76.8	Confident	116 Å²	116	57 Å²	57	44%	0.438	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-36	176.4	-75.2	178	-177.8	-179	3.1	112.3	L566 Y567 L573 A574 V583 Y589	L566-R570 WeakPolarHBondContact O-CB 3.44Å; L566-R570 VanDerWaalsContact O-CG 3.3Å; L566-R570 WeakPolarHBondContact O-CG 3.28Å; L566-R570 PolarHBondContact O-N 2.71Å; Y567-R570 PolarHBondContact O-N 3.01Å; R570-L573 PolarHBondContact O-N 3.27Å; R570-A574 PolarHBondContact O-N 3.04Å; R570-A574 VanDerWaalsContact O-N 3.13Å; R570-V583 HydrophobicContact CB-CG1 4.13Å; R570-Y589 PolarHBondContact NH1-OH 3.39Å
571	L	79.1	Confident	76.7	Confident	46 Å²	46	57 Å²	57	24%	0.241	30%	0.3	C	S	.	.	H	α-helix	trans	-68.2	-37.4	177	-167.1	74.6	0	0	0	111.8	Y567 T568 V569 R580	Y567-L571 WeakPolarHBondContact O-CB 3.49Å; Y567-L571 PolarHBondContact O-N 3.15Å; T568-L571 WeakPolarHBondContact O-CB 3.48Å; T568-L571 PolarHBondContact O-N 3.36Å; V569-L571 VanDerWaalsContact C-N 3.27Å; V569-L571 PolarHBondContact O-N 2.87Å; L571-R580 HydrophobicContact CD1-CB 3.94Å; L571-R580 HydrophobicContact CD1-CG 3.76Å; L571-R580 HydrophobicContact CG-CG 4.45Å
572	I	80.4	Confident	76.8	Confident	86 Å²	86	55.4 Å²	55.4	44%	0.441	29%	0.289	S	S	.	.	H	α-helix	trans	-68.9	-39.9	174.7	-66.6	163.8	0	0	0	110.9	T568 V569 A574	T568-I572 HydrophobicContact CG2-CD1 4.11Å; T568-I572 VanDerWaalsContact O-CG1 3.28Å; T568-I572 WeakPolarHBondContact O-CG1 3.46Å; T568-I572 PolarHBondContact O-N 3.35Å; V569-I572 PolarHBondContact O-N 3.4Å; I572-A574 VanDerWaalsContact C-N 3.31Å; I572-A574 PolarHBondContact O-N 3.27Å
573	L	79.9	Confident	77.1	Confident	85 Å²	85	52.1 Å²	52.1	45%	0.445	27%	0.267	S	S	.	.	H	α-helix	trans	-75.1	-14.9	-179.5	-68.4	174.2	0	0	0	114.4	V288 V569 R570	V288-L573 HydrophobicContact CG1-CD2 4.13Å; V569-L573 HydrophobicContact CG1-CD1 3.8Å; V569-L573 HydrophobicContact CG1-CG 4.32Å; V569-L573 VanDerWaalsContact O-CG 3.31Å; V569-L573 WeakPolarHBondContact O-CG 3.44Å; V569-L573 PolarHBondContact O-N 3.47Å; R570-L573 PolarHBondContact O-N 3.27Å
574	A	78	Confident	77.2	Confident	6 Å²	6	55.3 Å²	55.3	5%	0.05	27%	0.274	C	S	.	.			trans	-64.4	136.3	-177.9	0	0	0	0	0	112.1	R570 I572 E579 R580	R570-A574 PolarHBondContact O-N 3.04Å; R570-A574 VanDerWaalsContact O-N 3.13Å; I572-A574 VanDerWaalsContact C-N 3.31Å; I572-A574 PolarHBondContact O-N 3.27Å; A574-E579 HydrophobicContact CB-CB 4.21Å; A574-R580 HydrophobicContact CB-CG 3.42Å; A574-R580 VanDerWaalsContact CB-CG 3.42Å
575	R	73.1	Confident	76.9	Confident	87 Å²	87	54.6 Å²	54.6	33%	0.328	27%	0.268	S	S	.	.			trans	-81.1	-33.6	-170.6	-57.8	179.2	-178.5	178.7	1.2	113.2	E579	R575-E579 WeakPolarHBondContact CB-OE2 3.4Å; R575-E579 WeakPolarHBondContact CG-OE2 3.3Å; R575-E579 PolarHBondContact N-OE2 3.27Å
576	S	77.3	Confident	76.6	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.042	27%	0.266	C	S	.	.	S	Bend	trans	-140.3	165.9	-166.8	84.6	0	0	0	0	112.1	Y271 Y307 A578 E579 R580	Y271-S576 WeakPolarHBondContact OH-CB 3.24Å; Y271-S576 PolarHBondContact OH-OG 3.19Å; Y307-S576 PolarHBondContact OH-OG 3.37Å; S576-A578 VanDerWaalsContact C-N 3.29Å; S576-A578 PolarHBondContact O-N 3.48Å; S576-E579 PolarHBondContact O-N 2.89Å; S576-E579 PolarHBondContact OG-N 3.3Å; S576-R580 PolarHBondContact O-N 3.09Å; S576-R580 VanDerWaalsContact O-N 3.14Å
577	A	77.8	Confident	76	Confident	38 Å²	38	52.9 Å²	52.9	31%	0.314	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-39	178.8	0	0	0	0	0	111.4	Y270 Y271 R580 K581	Y270-A577 HydrophobicContact CE1-CB 4.11Å; Y271-A577 PolarHBondContact OH-N 3.15Å; A577-R580 PolarHBondContact O-N 3.38Å; A577-K581 PolarHBondContact O-N 2.77Å; A577-K581 VanDerWaalsContact O-N 3.07Å
578	A	77.9	Confident	75.5	Confident	2 Å²	2	53.6 Å²	53.6	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-46.4	173	0	0	0	0	0	112.4	N267 Y270 Y271 S576 R580 K581 Y582	N267-A578 HydrophobicContact CB-CB 3.89Å; N267-A578 WeakPolarHBondContact OD1-CB 3.4Å; Y270-A578 HydrophobicContact CD1-CB 3.4Å; Y270-A578 HydrophobicContact CE1-CB 3.97Å; Y270-A578 HydrophobicContact CG-CB 3.84Å; Y271-A578 HydrophobicContact CD2-CB 4.21Å; Y271-A578 HydrophobicContact CE2-CB 3.39Å; Y271-A578 PolarHBondContact OH-N 3.38Å; S576-A578 VanDerWaalsContact C-N 3.29Å; S576-A578 PolarHBondContact O-N 3.48Å; A578-R580 VanDerWaalsContact C-N 3.28Å; A578-R580 PolarHBondContact O-N 3.08Å; A578-K581 WeakPolarHBondContact O-CB 3.48Å; A578-K581 PolarHBondContact O-N 3.4Å; A578-K581 VanDerWaalsContact O-N 3.15Å; A578-Y582 WeakPolarHBondContact O-CB 3.18Å; A578-Y582 PolarHBondContact O-N 2.94Å
579	E	78.1	Confident	75.2	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-33.4	179.4	-74.8	-174.8	-172.8	0	0	112.4	R263 Y307 A574 R575 S576 Y582 V583	R263-E579 IonicContact NH2-OE1 3.99Å; R263-E579 IonicContact NH2-OE2 3.3Å; Y307-E579 PolarHBondContact OH-OE1 2.9Å; A574-E579 HydrophobicContact CB-CB 4.21Å; R575-E579 WeakPolarHBondContact CB-OE2 3.4Å; R575-E579 WeakPolarHBondContact CG-OE2 3.3Å; R575-E579 PolarHBondContact N-OE2 3.27Å; S576-E579 PolarHBondContact O-N 2.89Å; S576-E579 PolarHBondContact OG-N 3.3Å; E579-Y582 WeakPolarHBondContact O-CB 3.27Å; E579-Y582 PolarHBondContact O-N 3.46Å; E579-V583 VanDerWaalsContact O-CG2 3.25Å; E579-V583 WeakPolarHBondContact O-CG2 3.25Å; E579-V583 PolarHBondContact O-N 3.49Å
580	R	78.1	Confident	75.2	Confident	58 Å²	58	55.6 Å²	55.6	22%	0.219	26%	0.263	C	S	.	.	H	α-helix	trans	-68.5	-40	173.6	-75.8	-170.1	-97.6	-168.2	0.6	112.3	H291 L571 A574 S576 A577 A578 Y582 V583 K584	H291-R580 PolarHBondContact CD2-NH1 2.97Å; H291-R580 PolarHBondContact CD2-NH2 3.04Å; H291-R580 PolarHBondContact CE1-NH2 3.19Å; H291-R580 PolarHBondContact ND1-NH2 3.07Å; H291-R580 PolarHBondContact NE2-NH1 3.44Å; H291-R580 PolarHBondContact NE2-NH2 2.88Å; L571-R580 HydrophobicContact CD1-CB 3.94Å; L571-R580 HydrophobicContact CD1-CG 3.76Å; L571-R580 HydrophobicContact CG-CG 4.45Å; A574-R580 HydrophobicContact CB-CG 3.42Å; A574-R580 VanDerWaalsContact CB-CG 3.42Å; S576-R580 PolarHBondContact O-N 3.09Å; S576-R580 VanDerWaalsContact O-N 3.14Å; A577-R580 PolarHBondContact O-N 3.38Å; A578-R580 VanDerWaalsContact C-N 3.28Å; A578-R580 PolarHBondContact O-N 3.08Å; R580-Y582 VanDerWaalsContact C-N 3.32Å; R580-V583 PolarHBondContact O-N 3.44Å; R580-K584 VanDerWaalsContact O-CG 3.31Å; R580-K584 WeakPolarHBondContact O-CG 3.37Å; R580-K584 PolarHBondContact O-N 3.29Å
581	K	77.6	Confident	75.4	Confident	78 Å²	78	50.3 Å²	50.3	34%	0.339	24%	0.243	S	C	.	.	H	α-helix	trans	-62.4	-42.9	172	-174.3	176.4	178.9	178	0	111	Y270 A577 A578 V583 K584 Q585	Y270-K581 HydrophobicContact CD2-CD 3.63Å; Y270-K581 HydrophobicContact CE2-CB 4.44Å; Y270-K581 HydrophobicContact CE2-CD 3.56Å; A577-K581 PolarHBondContact O-N 2.77Å; A577-K581 VanDerWaalsContact O-N 3.07Å; A578-K581 WeakPolarHBondContact O-CB 3.48Å; A578-K581 PolarHBondContact O-N 3.4Å; A578-K581 VanDerWaalsContact O-N 3.15Å; K581-V583 PolarHBondContact O-N 3.28Å; K581-K584 WeakPolarHBondContact O-CB 3.48Å; K581-K584 PolarHBondContact O-N 2.99Å; K581-Q585 HydrophobicContact CG-CG 4.48Å; K581-Q585 WeakPolarHBondContact O-CG 3.48Å; K581-Q585 PolarHBondContact O-N 2.92Å
582	Y	75.6	Confident	75.8	Confident	38 Å²	38	50.9 Å²	50.9	15%	0.149	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-47.2	175.5	179.2	-86.6	0	0	0	111.9	R263 T266 A578 E579 R580 K584 Q585 H586	R263-Y582 HydrophobicContact CB-CE2 4.44Å; R263-Y582 HydrophobicContact CG-CD2 4.45Å; R263-Y582 HydrophobicContact CG-CE1 4.44Å; R263-Y582 HydrophobicContact CG-CE2 4.23Å; T266-Y582 HydrophobicContact CG2-CD2 4.44Å; A578-Y582 WeakPolarHBondContact O-CB 3.18Å; A578-Y582 PolarHBondContact O-N 2.94Å; E579-Y582 WeakPolarHBondContact O-CB 3.27Å; E579-Y582 PolarHBondContact O-N 3.46Å; R580-Y582 VanDerWaalsContact C-N 3.32Å; Y582-K584 VanDerWaalsContact C-N 3.31Å; Y582-K584 PolarHBondContact O-N 3.43Å; Y582-Q585 PolarHBondContact O-N 3.17Å; Y582-H586 AromaticContact CD2-CE1 3.54Å; Y582-H586 AromaticContact CD2-ND1 3.59Å; Y582-H586 HydrophobicContact CE1-CB 4.41Å; Y582-H586 AromaticContact CE1-ND1 3.97Å; Y582-H586 AromaticContact CE2-CE1 3.24Å; Y582-H586 WeakPolarHBondContact CE2-CE1 3.34Å; Y582-H586 AromaticContact CE2-ND1 3.49Å; Y582-H586 WeakPolarHBondContact CE2-ND1 3.22Å; Y582-H586 AromaticContact CE2-NE2 3.75Å; Y582-H586 AromaticContact CG-ND1 3.89Å; Y582-H586 AromaticContact CZ-CE1 3.76Å; Y582-H586 AromaticContact CZ-CG 3.9Å; Y582-H586 AromaticContact CZ-ND1 3.67Å; Y582-H586 AromaticContact CZ-NE2 3.99Å; Y582-H586 PolarHBondContact O-N 2.83Å; Y582-H586 PolarHBondContact O-ND1 2.94Å
583	V	76.4	Confident	76.3	Confident	26 Å²	26	46.9 Å²	46.9	16%	0.158	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-39.4	176.9	170	0	0	0	0	111.5	Y567 R570 E579 R580 K581 Q587	Y567-V583 HydrophobicContact CD2-CG1 4.06Å; Y567-V583 HydrophobicContact CE2-CG1 4.02Å; R570-V583 HydrophobicContact CB-CG1 4.13Å; E579-V583 VanDerWaalsContact O-CG2 3.25Å; E579-V583 WeakPolarHBondContact O-CG2 3.25Å; E579-V583 PolarHBondContact O-N 3.49Å; R580-V583 PolarHBondContact O-N 3.44Å; K581-V583 PolarHBondContact O-N 3.28Å; V583-Q587 PolarHBondContact O-N 2.97Å
584	K	73.6	Confident	76.8	Confident	92 Å²	92	42.8 Å²	42.8	40%	0.4	20%	0.202	S	C	.	.	H	α-helix	trans	-64.5	-41	175	-73.1	173.9	179.9	-172	0	112.5	Y567 R580 K581 Y582	Y567-K584 HydrophobicContact CE2-CG 4.41Å; Y567-K584 WeakPolarHBondContact OH-CG 3.4Å; R580-K584 VanDerWaalsContact O-CG 3.31Å; R580-K584 WeakPolarHBondContact O-CG 3.37Å; R580-K584 PolarHBondContact O-N 3.29Å; K581-K584 WeakPolarHBondContact O-CB 3.48Å; K581-K584 PolarHBondContact O-N 2.99Å; Y582-K584 VanDerWaalsContact C-N 3.31Å; Y582-K584 PolarHBondContact O-N 3.43Å
585	Q	69	Low	77.3	Confident	59 Å²	59	43.2 Å²	43.2	28%	0.276	21%	0.206	S	C	.	.	H	α-helix	trans	-72.8	-32.6	-179	-73	176.2	-36.8	0	0	112.6	A69 K581 Y582	A69-Q585 HydrophobicContact CB-CB 3.83Å; A69-Q585 HydrophobicContact CB-CG 3.95Å; K581-Q585 HydrophobicContact CG-CG 4.48Å; K581-Q585 WeakPolarHBondContact O-CG 3.48Å; K581-Q585 PolarHBondContact O-N 2.92Å; Y582-Q585 PolarHBondContact O-N 3.17Å
586	H	66.8	Low	78.1	Confident	105 Å²	105	41.1 Å²	41.1	49%	0.486	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	31.1	-178.1	-62.7	78.5	0	0	0	112.8	Y582	Y582-H586 AromaticContact CD2-CE1 3.54Å; Y582-H586 AromaticContact CD2-ND1 3.59Å; Y582-H586 HydrophobicContact CE1-CB 4.41Å; Y582-H586 AromaticContact CE1-ND1 3.97Å; Y582-H586 AromaticContact CE2-CE1 3.24Å; Y582-H586 WeakPolarHBondContact CE2-CE1 3.34Å; Y582-H586 AromaticContact CE2-ND1 3.49Å; Y582-H586 WeakPolarHBondContact CE2-ND1 3.22Å; Y582-H586 AromaticContact CE2-NE2 3.75Å; Y582-H586 AromaticContact CG-ND1 3.89Å; Y582-H586 AromaticContact CZ-CE1 3.76Å; Y582-H586 AromaticContact CZ-CG 3.9Å; Y582-H586 AromaticContact CZ-ND1 3.67Å; Y582-H586 AromaticContact CZ-NE2 3.99Å; Y582-H586 PolarHBondContact O-N 2.83Å; Y582-H586 PolarHBondContact O-ND1 2.94Å
587	Q	63.4	Low	78.8	Confident	33 Å²	33	40.9 Å²	40.9	15%	0.154	20%	0.198	C	C	.	.			trans	-85.4	-17.2	-178.9	-174.7	176.2	-9.6	0	0	113.2	A66 Y567 V583 Y589	A66-Q587 HydrophobicContact CB-CB 4.19Å; Y567-Q587 HydrophobicContact CD2-CG 3.92Å; Y567-Q587 HydrophobicContact CE2-CG 4.42Å; Y567-Q587 HydrophobicContact CG-CG 4.43Å; Y567-Q587 VanDerWaalsContact CG-NE2 3.35Å; V583-Q587 PolarHBondContact O-N 2.97Å; Q587-Y589 HydrophobicContact CG-CE2 4.49Å; Q587-Y589 WeakPolarHBondContact O-CD2 3.23Å; Q587-Y589 VanDerWaalsContact O-CE2 3.26Å; Q587-Y589 WeakPolarHBondContact O-CE2 3.43Å; Q587-Y589 PolarHBondContact O-N 3.38Å
588	A	65.6	Low	79.5	Confident	29 Å²	29	39.1 Å²	39.1	24%	0.24	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-65.6	123.9	-174.4	0	0	0	0	0	109.9	A66 L641	A66-A588 HydrophobicContact CB-CB 3.96Å; A588-L641 VanDerWaalsContact C-CD1 3.43Å; A588-L641 HydrophobicContact CB-CD1 3.28Å; A588-L641 HydrophobicContact CB-CG 4.17Å
589	Y	71.6	Confident	80	Confident	72 Å²	72	42 Å²	42	28%	0.282	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	146.9	179.7	-69.6	-81.2	0	0	0	109.9	R570 Q587 Y640 L641	R570-Y589 PolarHBondContact NH1-OH 3.39Å; Q587-Y589 HydrophobicContact CG-CE2 4.49Å; Q587-Y589 WeakPolarHBondContact O-CD2 3.23Å; Q587-Y589 VanDerWaalsContact O-CE2 3.26Å; Q587-Y589 WeakPolarHBondContact O-CE2 3.43Å; Q587-Y589 PolarHBondContact O-N 3.38Å; Y589-Y640 WeakPolarHBondContact O-CA 3.46Å; Y589-Y640 VanDerWaalsContact O-CD1 3.26Å; Y589-Y640 WeakPolarHBondContact O-CD1 3.48Å; Y589-L641 WeakPolarHBondContact O-CD1 3.28Å; Y589-L641 PolarHBondContact O-N 3.47Å; Y589-L641 VanDerWaalsContact O-N 3.16Å
590	E	79.6	Confident	80.7	Confident	98 Å²	98	41.6 Å²	41.6	46%	0.458	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	145.7	168.4	-78.6	-174.9	-177.3	0	0	110.4	M480 E592 Y640 T643	M480-E590 WeakPolarHBondContact CE-OE2 3.44Å; E590-E592 PolarHBondContact O-N 2.88Å; E590-Y640 WeakPolarHBondContact O-CD1 3.44Å; E590-T643 HydrophobicContact CB-CG2 3.44Å; E590-T643 VanDerWaalsContact CB-CG2 3.44Å; E590-T643 HydrophobicContact CG-CG2 3.56Å
591	F	84.8	Confident	81.5	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.018	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-76.7	116.3	177	-170.4	-98.4	0	0	0	110.6	Y124 Y593 M596 L636 Y640	Y124-F591 HydrophobicContact CD1-CE1 4.33Å; Y124-F591 HydrophobicContact CD1-CZ 4.49Å; Y124-F591 HydrophobicContact CE1-CE1 4.22Å; Y124-F591 HydrophobicContact CE1-CZ 4.04Å; Y124-F591 HydrophobicContact CE2-CE1 4.46Å; Y124-F591 HydrophobicContact CG-CE1 4.5Å; F591-Y593 AromaticContact CD1-CD1 3.49Å; F591-Y593 HydrophobicContact CD1-CD1 3.49Å; F591-Y593 VanDerWaalsContact CD1-CD1 3.49Å; F591-Y593 HydrophobicContact CD1-CD2 4.05Å; F591-Y593 AromaticContact CD1-CE1 3.45Å; F591-Y593 HydrophobicContact CD1-CE1 3.45Å; F591-Y593 VanDerWaalsContact CD1-CE1 3.45Å; F591-Y593 HydrophobicContact CD1-CE2 4.13Å; F591-Y593 AromaticContact CD1-CG 3.78Å; F591-Y593 HydrophobicContact CD1-CG 3.78Å; F591-Y593 AromaticContact CD1-CZ 3.79Å; F591-Y593 AromaticContact CE1-CD1 3.51Å; F591-Y593 HydrophobicContact CE1-CD1 3.51Å; F591-Y593 AromaticContact CE1-CE1 3.64Å; F591-Y593 HydrophobicContact CE1-CE1 3.64Å; F591-Y593 HydrophobicContact CE1-CG 4.14Å; F591-Y593 PolarHBondContact O-N 3.4Å; F591-Y593 VanDerWaalsContact O-N 3.09Å; F591-M596 HydrophobicContact CE1-CB 4.19Å; F591-M596 HydrophobicContact CE1-CG 3.94Å; F591-M596 HydrophobicContact CE2-CG 4.08Å; F591-M596 HydrophobicContact CZ-CB 4.07Å; F591-M596 HydrophobicContact CZ-CG 3.58Å; F591-L636 HydrophobicContact CB-CD2 3.88Å; F591-L636 HydrophobicContact CD1-CD2 3.6Å; F591-L636 HydrophobicContact CD2-CD2 3.57Å; F591-L636 HydrophobicContact CD2-CG 4.07Å; F591-L636 HydrophobicContact CE1-CD2 3.9Å; F591-L636 HydrophobicContact CE1-CG 4.4Å; F591-L636 HydrophobicContact CE2-CD2 3.89Å; F591-L636 HydrophobicContact CE2-CG 3.94Å; F591-L636 HydrophobicContact CG-CD2 3.4Å; F591-L636 HydrophobicContact CG-CG 4.35Å; F591-L636 HydrophobicContact CZ-CD1 4.32Å; F591-L636 HydrophobicContact CZ-CD2 4.02Å; F591-L636 HydrophobicContact CZ-CG 4.09Å; F591-Y640 HydrophobicContact CB-CD1 3.99Å; F591-Y640 HydrophobicContact CB-CG 3.91Å; F591-Y640 HydrophobicContact CD2-CD1 4.14Å; F591-Y640 AromaticContact CD2-CD2 3.6Å; F591-Y640 HydrophobicContact CD2-CD2 3.6Å; F591-Y640 HydrophobicContact CD2-CE1 4.29Å; F591-Y640 AromaticContact CD2-CE2 3.78Å; F591-Y640 HydrophobicContact CD2-CE2 3.78Å; F591-Y640 AromaticContact CD2-CG 3.8Å; F591-Y640 HydrophobicContact CD2-CG 3.8Å; F591-Y640 HydrophobicContact CE2-CD2 4.34Å; F591-Y640 HydrophobicContact CE2-CE2 4.24Å; F591-Y640 HydrophobicContact CG-CG 4.36Å
592	E	87.4	Confident	82.1	Confident	58 Å²	58	35.2 Å²	35.2	27%	0.271	17%	0.166	S	C	.	.			trans	-85.2	80.6	-176.8	-60.5	-173.8	144	0	0	111.2	Y469 E590 G594 A595 M596	Y469-E592 WeakPolarHBondContact CE2-OE1 3.26Å; Y469-E592 VanDerWaalsContact CE2-OE2 3.29Å; Y469-E592 WeakPolarHBondContact CE2-OE2 3.41Å; Y469-E592 PolarHBondContact OH-OE1 2.88Å; E590-E592 PolarHBondContact O-N 2.88Å; E592-G594 PolarHBondContact O-N 2.89Å; E592-G594 VanDerWaalsContact O-N 3.17Å; E592-A595 HydrophobicContact CB-CB 4.41Å; E592-A595 PolarHBondContact O-N 2.73Å; E592-M596 WeakPolarHBondContact O-CG 3.39Å; E592-M596 PolarHBondContact O-N 3.06Å
593	Y	90.3	Very high	82.9	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-53.3	-37.4	-179.3	-70.1	-76.6	0	0	0	113.2	D120 A121 Y124 F591 M596 Y597 T643 L645	D120-Y593 HydrophobicContact CB-CE2 3.95Å; A121-Y593 WeakPolarHBondContact CA-OH 3.49Å; A121-Y593 WeakPolarHBondContact CB-OH 3.25Å; A121-Y593 PolarHBondContact N-OH 2.85Å; Y124-Y593 AromaticContact CD2-CD1 3.76Å; Y124-Y593 HydrophobicContact CD2-CD1 3.76Å; Y124-Y593 HydrophobicContact CD2-CE1 4.29Å; Y124-Y593 AromaticContact CG-CD1 3.86Å; Y124-Y593 HydrophobicContact CG-CD1 3.86Å; Y124-Y593 AromaticContact CG-CE1 3.9Å; Y124-Y593 HydrophobicContact CG-CE1 3.9Å; F591-Y593 AromaticContact CD1-CD1 3.49Å; F591-Y593 HydrophobicContact CD1-CD1 3.49Å; F591-Y593 VanDerWaalsContact CD1-CD1 3.49Å; F591-Y593 HydrophobicContact CD1-CD2 4.05Å; F591-Y593 AromaticContact CD1-CE1 3.45Å; F591-Y593 HydrophobicContact CD1-CE1 3.45Å; F591-Y593 VanDerWaalsContact CD1-CE1 3.45Å; F591-Y593 HydrophobicContact CD1-CE2 4.13Å; F591-Y593 AromaticContact CD1-CG 3.78Å; F591-Y593 HydrophobicContact CD1-CG 3.78Å; F591-Y593 AromaticContact CD1-CZ 3.79Å; F591-Y593 AromaticContact CE1-CD1 3.51Å; F591-Y593 HydrophobicContact CE1-CD1 3.51Å; F591-Y593 AromaticContact CE1-CE1 3.64Å; F591-Y593 HydrophobicContact CE1-CE1 3.64Å; F591-Y593 HydrophobicContact CE1-CG 4.14Å; F591-Y593 PolarHBondContact O-N 3.4Å; F591-Y593 VanDerWaalsContact O-N 3.09Å; Y593-M596 PolarHBondContact O-N 3.41Å; Y593-Y597 HydrophobicContact CD1-CE2 4.39Å; Y593-Y597 WeakPolarHBondContact O-CB 3.36Å; Y593-Y597 WeakPolarHBondContact O-CD2 3.39Å; Y593-Y597 PolarHBondContact O-N 3.44Å; Y593-T643 WeakPolarHBondContact CE2-OG1 3.49Å; Y593-L645 HydrophobicContact CD2-CD1 3.23Å; Y593-L645 HydrophobicContact CD2-CG 4.07Å; Y593-L645 HydrophobicContact CE2-CD1 4.05Å; Y593-L645 HydrophobicContact CG-CD1 3.77Å
594	G	90.2	Very high	83.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-46.7	-178.1	0	0	0	0	0	113	Q484 M488 E592 G598	Q484-G594 WeakPolarHBondContact O-CA 3.29Å; M488-G594 VanDerWaalsContact CA-O 3.26Å; M488-G594 WeakPolarHBondContact CA-O 3.44Å; M488-G594 WeakPolarHBondContact CB-O 3.37Å; E592-G594 PolarHBondContact O-N 2.89Å; E592-G594 VanDerWaalsContact O-N 3.17Å; G594-G598 PolarHBondContact O-N 3.35Å
595	A	88.9	Confident	84.8	Confident	15 Å²	15	27.8 Å²	27.8	12%	0.124	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-43.9	176	0	0	0	0	0	111.6	M487 L491 E592 G598 W599	M487-A595 HydrophobicContact CG-CB 4.47Å; M487-A595 HydrophobicContact SD-CB 3.8Å; L491-A595 HydrophobicContact CD2-CB 4.17Å; L491-A595 VanDerWaalsContact CD2-O 3.22Å; L491-A595 WeakPolarHBondContact CD2-O 3.33Å; E592-A595 HydrophobicContact CB-CB 4.41Å; E592-A595 PolarHBondContact O-N 2.73Å; A595-G598 PolarHBondContact O-N 2.87Å; A595-W599 PolarHBondContact O-N 3.03Å
596	M	90.4	Very high	85.9	Confident	43 Å²	43	25 Å²	25	21%	0.212	12%	0.12	C	C	.	.	H	α-helix	trans	-65.9	-42.6	-178	-64.5	-62.2	112.6	0	0	112.4	Y124 F591 E592 Y593 N600	Y124-M596 HydrophobicContact CE2-CB 4.01Å; F591-M596 HydrophobicContact CE1-CB 4.19Å; F591-M596 HydrophobicContact CE1-CG 3.94Å; F591-M596 HydrophobicContact CE2-CG 4.08Å; F591-M596 HydrophobicContact CZ-CB 4.07Å; F591-M596 HydrophobicContact CZ-CG 3.58Å; E592-M596 WeakPolarHBondContact O-CG 3.39Å; E592-M596 PolarHBondContact O-N 3.06Å; Y593-M596 PolarHBondContact O-N 3.41Å; M596-N600 VanDerWaalsContact O-CB 3.24Å; M596-N600 WeakPolarHBondContact O-CB 3.41Å; M596-N600 PolarHBondContact O-N 3.48Å; M596-N600 VanDerWaalsContact O-N 3.13Å
597	Y	92.9	Very high	87.2	Confident	1 Å²	1	20 Å²	20	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-48.7	171.1	-81.1	-60.5	0	0	0	111.5	Y124 F127 M488 Y593 W599 N600 L601 H650 A653	Y124-Y597 VanDerWaalsContact CA-OH 3.27Å; Y124-Y597 WeakPolarHBondContact CA-OH 3.08Å; Y124-Y597 HydrophobicContact CD2-CD1 4.06Å; Y124-Y597 HydrophobicContact CD2-CD2 4.26Å; Y124-Y597 AromaticContact CD2-CE1 3.57Å; Y124-Y597 HydrophobicContact CD2-CE1 3.57Å; Y124-Y597 AromaticContact CD2-CE2 3.77Å; Y124-Y597 HydrophobicContact CD2-CE2 3.77Å; Y124-Y597 HydrophobicContact CD2-CG 4.37Å; Y124-Y597 AromaticContact CD2-CZ 3.4Å; Y124-Y597 HydrophobicContact CE2-CD1 4.02Å; Y124-Y597 HydrophobicContact CE2-CD2 4.49Å; Y124-Y597 AromaticContact CE2-CE1 3.98Å; Y124-Y597 HydrophobicContact CE2-CE1 3.98Å; Y124-Y597 HydrophobicContact CE2-CE2 4.43Å; Y124-Y597 HydrophobicContact CE2-CG 4.26Å; F127-Y597 HydrophobicContact CB-CE1 4.35Å; F127-Y597 AromaticContact CD1-CD1 3.99Å; F127-Y597 HydrophobicContact CD1-CD1 3.99Å; F127-Y597 AromaticContact CD1-CE1 3.52Å; F127-Y597 HydrophobicContact CD1-CE1 3.52Å; F127-Y597 AromaticContact CE1-CD1 3.97Å; F127-Y597 HydrophobicContact CE1-CD1 3.97Å; F127-Y597 AromaticContact CE1-CE1 3.95Å; F127-Y597 HydrophobicContact CE1-CE1 3.95Å; F127-Y597 AromaticContact CG-CE1 3.98Å; F127-Y597 HydrophobicContact CG-CE1 3.98Å; M488-Y597 VanDerWaalsContact SD-CB 3.56Å; M488-Y597 HydrophobicContact SD-CD2 4.16Å; M488-Y597 HydrophobicContact SD-CG 4.05Å; Y593-Y597 HydrophobicContact CD1-CE2 4.39Å; Y593-Y597 WeakPolarHBondContact O-CB 3.36Å; Y593-Y597 WeakPolarHBondContact O-CD2 3.39Å; Y593-Y597 PolarHBondContact O-N 3.44Å; Y597-W599 PolarHBondContact O-N 3.22Å; Y597-N600 PolarHBondContact O-N 3.49Å; Y597-L601 WeakPolarHBondContact O-CB 3.43Å; Y597-L601 WeakPolarHBondContact O-CD1 3.46Å; Y597-L601 WeakPolarHBondContact O-CG 3.29Å; Y597-L601 PolarHBondContact O-N 2.86Å; Y597-H650 AromaticContact CZ-ND1 3.76Å; Y597-H650 PolarHBondContact OH-CE1 3.39Å; Y597-H650 PolarHBondContact OH-ND1 2.76Å; Y597-A653 HydrophobicContact CD1-CB 3.52Å; Y597-A653 HydrophobicContact CD2-CB 4.17Å; Y597-A653 HydrophobicContact CE1-CB 3.71Å; Y597-A653 HydrophobicContact CE2-CB 4.36Å; Y597-A653 HydrophobicContact CG-CB 3.78Å
598	G	91.9	Very high	88.7	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.8	-44.1	-176.4	0	0	0	0	0	113.2	G594 A595 C602	G594-G598 PolarHBondContact O-N 3.35Å; A595-G598 PolarHBondContact O-N 2.87Å; G598-C602 WeakPolarHBondContact O-CB 3.29Å; G598-C602 PolarHBondContact O-N 3.04Å
599	W	88.7	Confident	89.9	Confident	62 Å²	62	17.1 Å²	17.1	24%	0.235	8%	0.078	C	C	.	.	H	α-helix	trans	-65.9	-49.9	176.8	-175.7	-92	0	0	0	112.1	P465 L495 A595 Y597 L601 C602 V603 Y624	P465-W599 HydrophobicContact CG-CE3 4.24Å; P465-W599 HydrophobicContact CG-CZ3 3.77Å; L495-W599 HydrophobicContact CD1-CD2 4.48Å; L495-W599 HydrophobicContact CD1-CE3 3.61Å; L495-W599 HydrophobicContact CD1-CZ3 4.14Å; L495-W599 HydrophobicContact CD2-CE3 4.35Å; L495-W599 HydrophobicContact CD2-CZ3 4.03Å; A595-W599 PolarHBondContact O-N 3.03Å; Y597-W599 PolarHBondContact O-N 3.22Å; W599-L601 PolarHBondContact O-N 3.43Å; W599-C602 WeakPolarHBondContact O-CB 3.42Å; W599-C602 PolarHBondContact O-N 3.43Å; W599-C602 VanDerWaalsContact O-N 3.16Å; W599-V603 PolarHBondContact O-N 3.48Å; W599-V603 VanDerWaalsContact O-N 3.1Å; W599-Y624 PolarHBondContact NE1-OH 3.35Å
600	N	92.6	Very high	90.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.8	-45.1	-179.2	-173.4	18.8	0	0	0	111.9	M596 Y597 C602 V603 F604 M625	M596-N600 VanDerWaalsContact O-CB 3.24Å; M596-N600 WeakPolarHBondContact O-CB 3.41Å; M596-N600 PolarHBondContact O-N 3.48Å; M596-N600 VanDerWaalsContact O-N 3.13Å; Y597-N600 PolarHBondContact O-N 3.49Å; N600-C602 VanDerWaalsContact C-N 3.32Å; N600-C602 PolarHBondContact O-N 3.44Å; N600-V603 PolarHBondContact O-N 2.88Å; N600-F604 VanDerWaalsContact O-CB 3.31Å; N600-F604 WeakPolarHBondContact O-CB 3.26Å; N600-F604 PolarHBondContact O-N 3.17Å; N600-M625 WeakPolarHBondContact OD1-CE 3.42Å; N600-M625 PolarHBondContact OD1-SD 3.01Å
601	L	93.4	Very high	91.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-63.2	-37.2	176	-73.5	169.4	0	0	0	112.1	F127 Y492 Y597 W599 T605 A653 Q656 A657	F127-L601 HydrophobicContact CE1-CD2 4.24Å; F127-L601 HydrophobicContact CZ-CD2 3.81Å; Y492-L601 HydrophobicContact CD2-CB 3.76Å; Y492-L601 HydrophobicContact CE2-CB 3.93Å; Y597-L601 WeakPolarHBondContact O-CB 3.43Å; Y597-L601 WeakPolarHBondContact O-CD1 3.46Å; Y597-L601 WeakPolarHBondContact O-CG 3.29Å; Y597-L601 PolarHBondContact O-N 2.86Å; W599-L601 PolarHBondContact O-N 3.43Å; L601-T605 WeakPolarHBondContact O-CB 3.32Å; L601-T605 PolarHBondContact O-N 2.76Å; L601-T605 PolarHBondContact O-OG1 3.16Å; L601-A653 HydrophobicContact CD1-CB 4.28Å; L601-Q656 HydrophobicContact CD1-CB 3.8Å; L601-Q656 VanDerWaalsContact CD1-OE1 3.3Å; L601-A657 HydrophobicContact CD2-CB 3.67Å
602	C	91.8	Very high	91.6	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.014	4%	0.044	C	C	.	.	H	α-helix	trans	-62.4	-50.9	176.2	-177.7	0	0	0	0	111.3	Y492 L495 G598 W599 N600 F604 T605 V606	Y492-C602 HydrophobicContact CD2-CB 4.42Å; L495-C602 HydrophobicContact CB-CB 4.15Å; L495-C602 VanDerWaalsContact CB-SG 3.55Å; L495-C602 HydrophobicContact CD1-CB 4.29Å; G598-C602 WeakPolarHBondContact O-CB 3.29Å; G598-C602 PolarHBondContact O-N 3.04Å; W599-C602 WeakPolarHBondContact O-CB 3.42Å; W599-C602 PolarHBondContact O-N 3.43Å; W599-C602 VanDerWaalsContact O-N 3.16Å; N600-C602 VanDerWaalsContact C-N 3.32Å; N600-C602 PolarHBondContact O-N 3.44Å; C602-F604 VanDerWaalsContact C-N 3.34Å; C602-F604 PolarHBondContact O-N 3.38Å; C602-T605 PolarHBondContact O-N 3.35Å; C602-V606 WeakPolarHBondContact O-CG2 3.37Å; C602-V606 PolarHBondContact O-N 3.06Å
603	V	92.6	Very high	91.6	Very high	1 Å²	1	7 Å²	7	1%	0.006	3%	0.034	C	C	.	.	H	α-helix	trans	-63.1	-42.6	178.8	179.3	0	0	0	0	110.6	W599 N600 T605 V606 I607 Y624	W599-V603 PolarHBondContact O-N 3.48Å; W599-V603 VanDerWaalsContact O-N 3.1Å; N600-V603 PolarHBondContact O-N 2.88Å; V603-T605 VanDerWaalsContact C-N 3.33Å; V603-T605 PolarHBondContact O-N 2.97Å; V603-V606 PolarHBondContact O-N 3.27Å; V603-I607 HydrophobicContact CG1-CD1 3.88Å; V603-I607 HydrophobicContact CG1-CG1 4.47Å; V603-I607 WeakPolarHBondContact O-CD1 3.4Å; V603-I607 VanDerWaalsContact O-CG1 3.29Å; V603-I607 WeakPolarHBondContact O-CG1 3.27Å; V603-I607 PolarHBondContact O-N 2.96Å; V603-Y624 HydrophobicContact CB-CD1 4.27Å; V603-Y624 HydrophobicContact CB-CE1 3.72Å; V603-Y624 HydrophobicContact CG1-CD1 3.58Å; V603-Y624 HydrophobicContact CG1-CD2 4.21Å; V603-Y624 HydrophobicContact CG1-CE1 3.55Å; V603-Y624 HydrophobicContact CG1-CE2 4.22Å; V603-Y624 HydrophobicContact CG1-CG 3.95Å; V603-Y624 HydrophobicContact CG2-CE1 4.29Å; V603-Y624 HydrophobicContact CG2-CE2 4.34Å
604	F	95.3	Very high	91.6	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-56.7	-44.3	173	176.3	-106.4	0	0	0	112.2	L131 L134 L135 N600 C602 V606 I607 M608 A660	L131-F604 HydrophobicContact CD1-CG 4.41Å; L131-F604 HydrophobicContact CD2-CD2 4.48Å; L131-F604 HydrophobicContact CD2-CE1 4.13Å; L131-F604 HydrophobicContact CD2-CE2 4.11Å; L131-F604 HydrophobicContact CD2-CZ 3.92Å; L134-F604 HydrophobicContact CD2-CE2 4.12Å; L134-F604 HydrophobicContact CD2-CZ 3.68Å; L135-F604 HydrophobicContact CD1-CD2 4.3Å; L135-F604 HydrophobicContact CD2-CD2 4.47Å; L135-F604 HydrophobicContact CD2-CE2 4.2Å; L135-F604 HydrophobicContact CG-CD2 4.38Å; L135-F604 HydrophobicContact CG-CE2 4.14Å; N600-F604 VanDerWaalsContact O-CB 3.31Å; N600-F604 WeakPolarHBondContact O-CB 3.26Å; N600-F604 PolarHBondContact O-N 3.17Å; C602-F604 VanDerWaalsContact C-N 3.34Å; C602-F604 PolarHBondContact O-N 3.38Å; F604-V606 PolarHBondContact O-N 3.3Å; F604-I607 PolarHBondContact O-N 3.28Å; F604-M608 HydrophobicContact CD1-CG 4.27Å; F604-M608 HydrophobicContact CD2-CG 4.23Å; F604-M608 HydrophobicContact CE1-CG 3.8Å; F604-M608 HydrophobicContact CE2-CG 3.75Å; F604-M608 HydrophobicContact CE2-SD 4.01Å; F604-M608 HydrophobicContact CG-CG 4.47Å; F604-M608 HydrophobicContact CZ-CG 3.5Å; F604-M608 VanDerWaalsContact CZ-CG 3.5Å; F604-M608 HydrophobicContact CZ-SD 3.9Å; F604-M608 WeakPolarHBondContact O-CB 3.26Å; F604-M608 WeakPolarHBondContact O-CG 3.44Å; F604-M608 PolarHBondContact O-N 2.95Å; F604-A660 HydrophobicContact CD1-CB 3.81Å; F604-A660 HydrophobicContact CE1-CB 3.59Å
605	T	93.7	Very high	91.7	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-64.6	-38.1	176.4	-64.7	0	0	0	0	112.6	Y492 L496 L500 L601 C602 V603 M608 A609 A660 I663	Y492-T605 PolarHBondContact OH-OG1 3.28Å; L496-T605 HydrophobicContact CD1-CG2 3.5Å; L500-T605 HydrophobicContact CD2-CG2 4.47Å; L601-T605 WeakPolarHBondContact O-CB 3.32Å; L601-T605 PolarHBondContact O-N 2.76Å; L601-T605 PolarHBondContact O-OG1 3.16Å; C602-T605 PolarHBondContact O-N 3.35Å; V603-T605 VanDerWaalsContact C-N 3.33Å; V603-T605 PolarHBondContact O-N 2.97Å; T605-M608 PolarHBondContact O-N 3.23Å; T605-A609 WeakPolarHBondContact O-CB 3.08Å; T605-A609 PolarHBondContact O-N 3.35Å; T605-A660 HydrophobicContact CG2-CB 4.27Å; T605-A660 WeakPolarHBondContact OG1-CB 3.32Å; T605-I663 HydrophobicContact CG2-CB 4.25Å; T605-I663 HydrophobicContact CG2-CD1 3.87Å; T605-I663 HydrophobicContact CG2-CG2 4.11Å
606	V	91.6	Very high	91.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-62.3	-46.1	173.9	172.5	0	0	0	0	110.8	V499 L500 F542 V546 C602 V603 F604 M608 A609 Y610 I617	V499-V606 HydrophobicContact CG1-CG2 4.31Å; L500-V606 HydrophobicContact CB-CG2 4.41Å; F542-V606 HydrophobicContact CD1-CG1 3.77Å; F542-V606 HydrophobicContact CE1-CG1 4.41Å; F542-V606 HydrophobicContact CG-CG1 4.48Å; V546-V606 HydrophobicContact CG2-CG1 4.42Å; C602-V606 WeakPolarHBondContact O-CG2 3.37Å; C602-V606 PolarHBondContact O-N 3.06Å; V603-V606 PolarHBondContact O-N 3.27Å; F604-V606 PolarHBondContact O-N 3.3Å; V606-M608 PolarHBondContact O-N 3.41Å; V606-A609 PolarHBondContact O-N 3.31Å; V606-Y610 HydrophobicContact CG1-CD2 4.48Å; V606-Y610 PolarHBondContact O-N 2.97Å; V606-Y610 VanDerWaalsContact O-N 3.15Å; V606-I617 HydrophobicContact CG1-CD1 4.25Å
607	I	94.7	Very high	92	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60	-47.5	176.9	-64	156.4	0	0	0	110.2	L135 V546 V603 F604 S611 V618	L135-I607 HydrophobicContact CD2-CG2 3.74Å; V546-I607 HydrophobicContact CG1-CG1 4.37Å; V546-I607 HydrophobicContact CG2-CG1 4.19Å; V603-I607 HydrophobicContact CG1-CD1 3.88Å; V603-I607 HydrophobicContact CG1-CG1 4.47Å; V603-I607 WeakPolarHBondContact O-CD1 3.4Å; V603-I607 VanDerWaalsContact O-CG1 3.29Å; V603-I607 WeakPolarHBondContact O-CG1 3.27Å; V603-I607 PolarHBondContact O-N 2.96Å; F604-I607 PolarHBondContact O-N 3.28Å; I607-S611 WeakPolarHBondContact O-CA 3.24Å; I607-S611 VanDerWaalsContact O-CB 3.27Å; I607-S611 WeakPolarHBondContact O-CB 3.4Å; I607-S611 PolarHBondContact O-N 2.87Å; I607-V618 HydrophobicContact CG2-CG1 4.45Å
608	M	93.9	Very high	92.1	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-63.8	-44.7	178.9	-73.1	-58.4	-60.9	0	0	112.2	I138 F604 T605 V606 Y610 S611 A660 P661 C664	I138-M608 HydrophobicContact CD1-CE 3.75Å; I138-M608 HydrophobicContact CD1-SD 3.44Å; I138-M608 WeakPolarHBondContact CD1-SD 3.48Å; F604-M608 HydrophobicContact CD1-CG 4.27Å; F604-M608 HydrophobicContact CD2-CG 4.23Å; F604-M608 HydrophobicContact CE1-CG 3.8Å; F604-M608 HydrophobicContact CE2-CG 3.75Å; F604-M608 HydrophobicContact CE2-SD 4.01Å; F604-M608 HydrophobicContact CG-CG 4.47Å; F604-M608 HydrophobicContact CZ-CG 3.5Å; F604-M608 VanDerWaalsContact CZ-CG 3.5Å; F604-M608 HydrophobicContact CZ-SD 3.9Å; F604-M608 WeakPolarHBondContact O-CB 3.26Å; F604-M608 WeakPolarHBondContact O-CG 3.44Å; F604-M608 PolarHBondContact O-N 2.95Å; T605-M608 PolarHBondContact O-N 3.23Å; V606-M608 PolarHBondContact O-N 3.41Å; M608-Y610 VanDerWaalsContact C-N 3.31Å; M608-Y610 PolarHBondContact O-N 3.48Å; M608-S611 WeakPolarHBondContact O-CB 3.46Å; M608-S611 PolarHBondContact O-N 3.41Å; M608-S611 PolarHBondContact O-OG 2.94Å; M608-A660 HydrophobicContact CB-CB 3.99Å; M608-A660 HydrophobicContact CG-CB 3.98Å; M608-P661 HydrophobicContact CE-CB 4.47Å; M608-C664 PolarHBondContact O-SG 3.2Å
609	A	91.2	Very high	92.3	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.008	4%	0.036	C	C	.	.	H	α-helix	trans	-58.3	-42.8	-179.7	0	0	0	0	0	112.1	L500 T605 V606 I663	L500-A609 HydrophobicContact CD1-CB 4.44Å; L500-A609 HydrophobicContact CD2-CB 4.14Å; T605-A609 WeakPolarHBondContact O-CB 3.08Å; T605-A609 PolarHBondContact O-N 3.35Å; V606-A609 PolarHBondContact O-N 3.31Å; A609-I663 HydrophobicContact CB-CG2 4.28Å
610	Y	89.8	Confident	92.6	Very high	7 Å²	7	6.2 Å²	6.2	3%	0.027	3%	0.033	C	C	.	.	H	α-helix	trans	-93.5	-4.6	-179.6	-77.6	-80.2	0	0	0	114.5	L500 S504 F542 V606 M608 I612 I613 C614	L500-Y610 HydrophobicContact CD1-CD2 4.16Å; L500-Y610 HydrophobicContact CD1-CE2 3.46Å; L500-Y610 VanDerWaalsContact CD1-CE2 3.46Å; S504-Y610 PolarHBondContact OG-OH 2.97Å; F542-Y610 HydrophobicContact CB-CD2 4.31Å; F542-Y610 HydrophobicContact CB-CE2 4.38Å; F542-Y610 HydrophobicContact CD1-CE2 4.15Å; F542-Y610 HydrophobicContact CD2-CD2 4.11Å; F542-Y610 HydrophobicContact CD2-CE1 4.12Å; F542-Y610 AromaticContact CD2-CE2 3.36Å; F542-Y610 HydrophobicContact CD2-CE2 3.36Å; F542-Y610 AromaticContact CD2-CZ 3.39Å; F542-Y610 WeakPolarHBondContact CD2-OH 3.2Å; F542-Y610 HydrophobicContact CE1-CE2 4.29Å; F542-Y610 AromaticContact CE2-CE2 3.55Å; F542-Y610 HydrophobicContact CE2-CE2 3.55Å; F542-Y610 AromaticContact CE2-CZ 3.5Å; F542-Y610 VanDerWaalsContact CE2-CZ 3.5Å; F542-Y610 WeakPolarHBondContact CE2-OH 3.35Å; F542-Y610 HydrophobicContact CG-CD2 4.07Å; F542-Y610 AromaticContact CG-CE2 3.69Å; F542-Y610 HydrophobicContact CG-CE2 3.69Å; F542-Y610 HydrophobicContact CZ-CE2 4.02Å; V606-Y610 HydrophobicContact CG1-CD2 4.48Å; V606-Y610 PolarHBondContact O-N 2.97Å; V606-Y610 VanDerWaalsContact O-N 3.15Å; M608-Y610 VanDerWaalsContact C-N 3.31Å; M608-Y610 PolarHBondContact O-N 3.48Å; Y610-I612 PolarHBondContact O-N 2.92Å; Y610-I613 HydrophobicContact CD1-CB 4.35Å; Y610-I613 HydrophobicContact CD1-CG2 4.35Å; Y610-I613 PolarHBondContact O-N 3.41Å; Y610-C614 CarbonylContact O-C 3.41Å; Y610-C614 VanDerWaalsContact O-C 3.3Å; Y610-C614 WeakPolarHBondContact O-CA 3.44Å; Y610-C614 PolarHBondContact O-N 2.93Å; Y610-C614 VanDerWaalsContact O-O 3.08Å
611	S	92.8	Very high	92.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-29	-175.2	62.6	0	0	0	0	115.2	S142 I607 M608 P615	S142-S611 PolarHBondContact OG-O 3.29Å; I607-S611 WeakPolarHBondContact O-CA 3.24Å; I607-S611 VanDerWaalsContact O-CB 3.27Å; I607-S611 WeakPolarHBondContact O-CB 3.4Å; I607-S611 PolarHBondContact O-N 2.87Å; M608-S611 WeakPolarHBondContact O-CB 3.46Å; M608-S611 PolarHBondContact O-N 3.41Å; M608-S611 PolarHBondContact O-OG 2.94Å; S611-P615 WeakPolarHBondContact O-CA 3.47Å
612	I	90.4	Very high	93	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-40.9	-179.6	-62.9	177.5	0	0	0	111.1	I146 H181 A185 Y188 Y610 L668	I146-I612 HydrophobicContact CD1-CG1 4.49Å; H181-I612 HydrophobicContact CB-CG2 3.71Å; A185-I612 HydrophobicContact CB-CD1 3.41Å; A185-I612 VanDerWaalsContact CB-CD1 3.41Å; Y188-I612 HydrophobicContact CD2-CD1 4.13Å; Y188-I612 HydrophobicContact CD2-CG1 4.04Å; Y188-I612 HydrophobicContact CE2-CD1 4.46Å; Y188-I612 HydrophobicContact CE2-CG1 3.94Å; Y610-I612 PolarHBondContact O-N 2.92Å; I612-L668 HydrophobicContact CG2-CD1 4.23Å
613	I	87.4	Confident	93.2	Very high	13 Å²	13	10.5 Å²	10.5	7%	0.067	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-43.3	-178.3	-62.4	176.1	0	0	0	110.5	T167 I168 F534 Y610 W667	T167-I613 VanDerWaalsContact CA-O 3.28Å; T167-I613 WeakPolarHBondContact CA-O 3.28Å; T167-I613 WeakPolarHBondContact CB-O 3.49Å; I168-I613 HydrophobicContact CG2-CB 4.09Å; I168-I613 HydrophobicContact CG2-CG1 4.33Å; I168-I613 HydrophobicContact CG2-CG2 3.7Å; I168-I613 PolarHBondContact N-O 3.47Å; F534-I613 HydrophobicContact CD1-CD1 4.49Å; F534-I613 HydrophobicContact CE1-CD1 4.01Å; Y610-I613 HydrophobicContact CD1-CB 4.35Å; Y610-I613 HydrophobicContact CD1-CG2 4.35Å; Y610-I613 PolarHBondContact O-N 3.41Å; I613-W667 HydrophobicContact CD1-CB 4.35Å
614	C	89.4	Confident	93.4	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.007	6%	0.056	C	C	.	.			trans	-133.9	85.2	-179.3	-178.7	0	0	0	0	109.7	F163 T167 Y610 I616 I617	F163-C614 WeakPolarHBondContact CZ-SG 3.47Å; T167-C614 HydrophobicContact CG2-CB 4.43Å; Y610-C614 CarbonylContact O-C 3.41Å; Y610-C614 VanDerWaalsContact O-C 3.3Å; Y610-C614 WeakPolarHBondContact O-CA 3.44Å; Y610-C614 PolarHBondContact O-N 2.93Å; Y610-C614 VanDerWaalsContact O-O 3.08Å; C614-I616 PolarHBondContact O-N 3.13Å; C614-I617 WeakPolarHBondContact O-CG2 3.46Å; C614-I617 PolarHBondContact O-N 3.38Å; C614-I617 VanDerWaalsContact O-N 3.16Å
615	P	92.6	Very high	93.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.6	-177.1	-30.2	38.3	0	0	0	115.3	I146 L147 S611 I617 V618 P619	I146-P615 HydrophobicContact CB-CG 4.03Å; I146-P615 HydrophobicContact CG2-CG 3.56Å; L147-P615 HydrophobicContact CB-CB 4.11Å; L147-P615 HydrophobicContact CB-CG 4.43Å; S611-P615 WeakPolarHBondContact O-CA 3.47Å; P615-I617 PolarHBondContact O-N 2.96Å; P615-V618 PolarHBondContact O-N 2.78Å; P615-P619 WeakPolarHBondContact O-CD 3.46Å
616	I	91.9	Very high	93.5	Very high	23 Å²	23	14.7 Å²	14.7	12%	0.118	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.2	-179.1	-65.5	-176.5	0	0	0	112.3	F31 L147 T166 V543 C614 V618 P619 F620	F31-I616 HydrophobicContact CE1-CD1 4.29Å; F31-I616 HydrophobicContact CZ-CD1 3.77Å; L147-I616 HydrophobicContact CD1-CD1 4.49Å; L147-I616 HydrophobicContact CD1-CG1 4.25Å; T166-I616 HydrophobicContact CG2-CD1 3.58Å; V543-I616 HydrophobicContact CG1-CG2 4.37Å; V543-I616 HydrophobicContact CG2-CG2 4.48Å; C614-I616 PolarHBondContact O-N 3.13Å; I616-V618 VanDerWaalsContact C-N 3.28Å; I616-V618 PolarHBondContact O-N 3.24Å; I616-P619 VanDerWaalsContact O-CD 3.24Å; I616-P619 WeakPolarHBondContact O-CD 3.5Å; I616-P619 VanDerWaalsContact O-CG 3.26Å; I616-P619 WeakPolarHBondContact O-CG 3.34Å; I616-F620 HydrophobicContact CG2-CD2 4.24Å; I616-F620 HydrophobicContact CG2-CE2 3.79Å; I616-F620 VanDerWaalsContact O-CD2 3.26Å; I616-F620 WeakPolarHBondContact O-CD2 3.11Å
617	I	93.6	Very high	93.6	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-65.7	-30.8	178.4	-160	172.5	0	0	0	113	F542 V543 V546 V606 C614 P615 F620 G621	F542-I617 HydrophobicContact CB-CD1 4.04Å; V543-I617 HydrophobicContact CG2-CB 3.94Å; V543-I617 HydrophobicContact CG2-CG1 4.22Å; V546-I617 HydrophobicContact CB-CG1 4.38Å; V546-I617 HydrophobicContact CG2-CD1 3.92Å; V546-I617 HydrophobicContact CG2-CG1 3.94Å; V606-I617 HydrophobicContact CG1-CD1 4.25Å; C614-I617 WeakPolarHBondContact O-CG2 3.46Å; C614-I617 PolarHBondContact O-N 3.38Å; C614-I617 VanDerWaalsContact O-N 3.16Å; P615-I617 PolarHBondContact O-N 2.96Å; I617-F620 PolarHBondContact O-N 3.49Å; I617-G621 PolarHBondContact O-N 3.34Å
618	V	95.4	Very high	93.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.1	-47.7	-171.7	-165.5	0	0	0	0	113.5	L135 I138 T139 I607 P615 I616 F620 G621 L622	L135-V618 HydrophobicContact CD2-CG1 4.16Å; I138-V618 HydrophobicContact CB-CG1 4.29Å; I138-V618 HydrophobicContact CG2-CG1 3.7Å; I138-V618 HydrophobicContact CG2-CG2 4.24Å; T139-V618 VanDerWaalsContact OG1-CG1 3.27Å; T139-V618 WeakPolarHBondContact OG1-CG1 3.41Å; I607-V618 HydrophobicContact CG2-CG1 4.45Å; P615-V618 PolarHBondContact O-N 2.78Å; I616-V618 VanDerWaalsContact C-N 3.28Å; I616-V618 PolarHBondContact O-N 3.24Å; V618-F620 VanDerWaalsContact C-N 3.32Å; V618-F620 PolarHBondContact O-N 3.48Å; V618-G621 CarbonylContact O-C 3.3Å; V618-G621 WeakPolarHBondContact O-CA 3.28Å; V618-G621 PolarHBondContact O-N 3.34Å; V618-L622 PolarHBondContact O-N 3.28Å
619	P	96	Very high	93.6	Very high	40 Å²	40	18 Å²	18	26%	0.26	9%	0.093	S	C	.	.	H	α-helix	trans	-61	-37.9	176.9	22.3	-35	0	0	0	113.2	T139 L143 P615 I616 G621 L622 L623	T139-P619 HydrophobicContact CG2-CB 4.03Å; L143-P619 HydrophobicContact CD1-CB 4.34Å; L143-P619 HydrophobicContact CD1-CG 4.24Å; L143-P619 HydrophobicContact CD2-CG 4.34Å; P615-P619 WeakPolarHBondContact O-CD 3.46Å; I616-P619 VanDerWaalsContact O-CD 3.24Å; I616-P619 WeakPolarHBondContact O-CD 3.5Å; I616-P619 VanDerWaalsContact O-CG 3.26Å; I616-P619 WeakPolarHBondContact O-CG 3.34Å; P619-G621 VanDerWaalsContact C-N 3.33Å; P619-L622 PolarHBondContact O-N 3.12Å; P619-L623 PolarHBondContact O-N 3.46Å
620	F	95.5	Very high	93.6	Very high	40 Å²	40	19.7 Å²	19.7	18%	0.175	10%	0.102	C	C	.	.	H	α-helix	trans	-70.2	-32.4	173.6	-62.8	-64.9	0	0	0	112	V34 L38 V543 V546 I547 I616 I617 V618 L623 Y624	V34-F620 HydrophobicContact CG1-CE2 4.4Å; L38-F620 HydrophobicContact CD1-CE1 4.07Å; L38-F620 HydrophobicContact CD2-CE1 4.05Å; L38-F620 HydrophobicContact CD2-CZ 4.4Å; V543-F620 HydrophobicContact CG1-CD2 3.79Å; V543-F620 HydrophobicContact CG1-CE2 3.99Å; V546-F620 HydrophobicContact CG1-CB 4.18Å; I547-F620 HydrophobicContact CD1-CD1 3.98Å; I547-F620 HydrophobicContact CD1-CD2 4.07Å; I547-F620 HydrophobicContact CD1-CE1 3.97Å; I547-F620 HydrophobicContact CD1-CE2 4.06Å; I547-F620 HydrophobicContact CD1-CG 4.03Å; I547-F620 HydrophobicContact CD1-CZ 4.01Å; I547-F620 HydrophobicContact CG1-CB 3.98Å; I547-F620 HydrophobicContact CG1-CD1 3.62Å; I547-F620 HydrophobicContact CG1-CD2 4.15Å; I547-F620 HydrophobicContact CG1-CE1 4.11Å; I547-F620 HydrophobicContact CG1-CG 3.65Å; I616-F620 HydrophobicContact CG2-CD2 4.24Å; I616-F620 HydrophobicContact CG2-CE2 3.79Å; I616-F620 VanDerWaalsContact O-CD2 3.26Å; I616-F620 WeakPolarHBondContact O-CD2 3.11Å; I617-F620 PolarHBondContact O-N 3.49Å; V618-F620 VanDerWaalsContact C-N 3.32Å; V618-F620 PolarHBondContact O-N 3.48Å; F620-L623 WeakPolarHBondContact O-CB 3.3Å; F620-L623 PolarHBondContact O-N 3.43Å; F620-Y624 PolarHBondContact O-N 3.15Å
621	G	95.7	Very high	93.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.3	-37.6	170.5	0	0	0	0	0	113.5	I617 V618 P619 Y624 M625	I617-G621 PolarHBondContact O-N 3.34Å; V618-G621 CarbonylContact O-C 3.3Å; V618-G621 WeakPolarHBondContact O-CA 3.28Å; V618-G621 PolarHBondContact O-N 3.34Å; P619-G621 VanDerWaalsContact C-N 3.33Å; G621-Y624 WeakPolarHBondContact O-CB 3.49Å; G621-Y624 PolarHBondContact O-N 3.18Å; G621-M625 WeakPolarHBondContact O-CG 3.22Å; G621-M625 PolarHBondContact O-N 3.06Å
622	L	97.3	Very high	93.7	Very high	29 Å²	29	19.6 Å²	19.6	15%	0.152	10%	0.102	C	C	.	.	H	α-helix	trans	-64.4	-43.6	171.9	176.7	61.9	0	0	0	110.8	I132 L135 V136 V618 P619 Y624 M625 L626	I132-L622 HydrophobicContact CG2-CD1 4.05Å; L135-L622 HydrophobicContact CB-CD1 4.21Å; V136-L622 HydrophobicContact CG2-CD1 3.67Å; V136-L622 HydrophobicContact CG2-CD2 3.96Å; V136-L622 HydrophobicContact CG2-CG 4.49Å; V618-L622 PolarHBondContact O-N 3.28Å; P619-L622 PolarHBondContact O-N 3.12Å; L622-Y624 VanDerWaalsContact C-N 3.33Å; L622-Y624 PolarHBondContact O-N 3.39Å; L622-M625 PolarHBondContact O-N 2.89Å; L622-L626 HydrophobicContact CD1-CD1 4.21Å; L622-L626 HydrophobicContact CD1-CG 4.22Å; L622-L626 HydrophobicContact CG-CD1 4.04Å; L622-L626 HydrophobicContact CG-CG 4.49Å; L622-L626 WeakPolarHBondContact O-CB 3.33Å; L622-L626 VanDerWaalsContact O-CG 3.31Å; L622-L626 WeakPolarHBondContact O-CG 3.29Å; L622-L626 PolarHBondContact O-N 3Å
623	L	96.4	Very high	93.7	Very high	64 Å²	64	20.8 Å²	20.8	34%	0.335	11%	0.107	S	C	.	.	H	α-helix	trans	-57.6	-45.4	173.3	177.9	65.3	0	0	0	111.5	A550 L551 P619 F620 M625 L626 L627	A550-L623 HydrophobicContact CB-CG 4.49Å; L551-L623 HydrophobicContact CD2-CD2 4.46Å; P619-L623 PolarHBondContact O-N 3.46Å; F620-L623 WeakPolarHBondContact O-CB 3.3Å; F620-L623 PolarHBondContact O-N 3.43Å; L623-M625 PolarHBondContact O-N 3.49Å; L623-L626 PolarHBondContact O-N 2.9Å; L623-L627 HydrophobicContact CD1-CD1 3.96Å; L623-L627 HydrophobicContact CD1-CG 4.15Å; L623-L627 HydrophobicContact CG-CD1 4.03Å; L623-L627 WeakPolarHBondContact O-CB 3.3Å; L623-L627 WeakPolarHBondContact O-CG 3.4Å; L623-L627 PolarHBondContact O-N 2.98Å
624	Y	96	Very high	93.7	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-54.4	-53.4	173.8	168.8	-96.1	0	0	0	111.2	A549 A550 W599 V603 F620 G621 L622 L626 L627 K628	A549-Y624 HydrophobicContact CB-CD2 4.19Å; A549-Y624 HydrophobicContact CB-CE2 4.28Å; A550-Y624 HydrophobicContact CB-CD2 4.38Å; W599-Y624 PolarHBondContact NE1-OH 3.35Å; V603-Y624 HydrophobicContact CB-CD1 4.27Å; V603-Y624 HydrophobicContact CB-CE1 3.72Å; V603-Y624 HydrophobicContact CG1-CD1 3.58Å; V603-Y624 HydrophobicContact CG1-CD2 4.21Å; V603-Y624 HydrophobicContact CG1-CE1 3.55Å; V603-Y624 HydrophobicContact CG1-CE2 4.22Å; V603-Y624 HydrophobicContact CG1-CG 3.95Å; V603-Y624 HydrophobicContact CG2-CE1 4.29Å; V603-Y624 HydrophobicContact CG2-CE2 4.34Å; F620-Y624 PolarHBondContact O-N 3.15Å; G621-Y624 WeakPolarHBondContact O-CB 3.49Å; G621-Y624 PolarHBondContact O-N 3.18Å; L622-Y624 VanDerWaalsContact C-N 3.33Å; L622-Y624 PolarHBondContact O-N 3.39Å; Y624-L626 VanDerWaalsContact C-N 3.33Å; Y624-L626 PolarHBondContact O-N 3.46Å; Y624-L627 PolarHBondContact O-N 2.89Å; Y624-K628 HydrophobicContact CE1-CB 4.46Å; Y624-K628 WeakPolarHBondContact O-CB 3.39Å; Y624-K628 PolarHBondContact O-N 2.91Å
625	M	95.9	Very high	93.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.8	-36.3	-176.3	-70.9	-60.7	-68.7	0	0	113.1	L131 I132 L135 N600 G621 L622 L623 H629	L131-M625 HydrophobicContact CB-CE 3.66Å; L131-M625 HydrophobicContact CD1-CE 3.84Å; L131-M625 HydrophobicContact CG-CE 4.42Å; I132-M625 HydrophobicContact CG1-CB 3.74Å; L135-M625 HydrophobicContact CD1-CB 4.15Å; L135-M625 HydrophobicContact CD1-CG 3.4Å; N600-M625 WeakPolarHBondContact OD1-CE 3.42Å; N600-M625 PolarHBondContact OD1-SD 3.01Å; G621-M625 WeakPolarHBondContact O-CG 3.22Å; G621-M625 PolarHBondContact O-N 3.06Å; L622-M625 PolarHBondContact O-N 2.89Å; L623-M625 PolarHBondContact O-N 3.49Å; M625-H629 VanDerWaalsContact O-CB 3.25Å; M625-H629 WeakPolarHBondContact O-CB 3.27Å; M625-H629 PolarHBondContact O-N 3.36Å
626	L	95.8	Very high	93.3	Very high	86 Å²	86	20.8 Å²	20.8	45%	0.45	11%	0.107	S	C	.	.	H	α-helix	trans	-66	-48.8	175.9	-72.6	170.1	0	0	0	111.8	I132 L622 L623 Y624 H629 L630	I132-L626 HydrophobicContact CD1-CD2 4.28Å; I132-L626 HydrophobicContact CG2-CD2 3.82Å; L622-L626 HydrophobicContact CD1-CD1 4.21Å; L622-L626 HydrophobicContact CD1-CG 4.22Å; L622-L626 HydrophobicContact CG-CD1 4.04Å; L622-L626 HydrophobicContact CG-CG 4.49Å; L622-L626 WeakPolarHBondContact O-CB 3.33Å; L622-L626 VanDerWaalsContact O-CG 3.31Å; L622-L626 WeakPolarHBondContact O-CG 3.29Å; L622-L626 PolarHBondContact O-N 3Å; L623-L626 PolarHBondContact O-N 2.9Å; Y624-L626 VanDerWaalsContact C-N 3.33Å; Y624-L626 PolarHBondContact O-N 3.46Å; L626-H629 PolarHBondContact O-N 3.46Å; L626-L630 PolarHBondContact O-N 3.48Å; L626-L630 VanDerWaalsContact O-N 3.08Å
627	L	94.1	Very high	92.9	Very high	32 Å²	32	20.9 Å²	20.9	17%	0.168	11%	0.106	C	C	.	.	H	α-helix	trans	-63.3	-44.6	177.2	-72.3	175	0	0	0	111	F45 A550 L551 L623 Y624 H629 L630 V631	F45-L627 HydrophobicContact CZ-CD2 4.15Å; A550-L627 VanDerWaalsContact O-CD1 3.3Å; A550-L627 WeakPolarHBondContact O-CD1 3.46Å; L551-L627 HydrophobicContact CD2-CD1 3.97Å; L623-L627 HydrophobicContact CD1-CD1 3.96Å; L623-L627 HydrophobicContact CD1-CG 4.15Å; L623-L627 HydrophobicContact CG-CD1 4.03Å; L623-L627 WeakPolarHBondContact O-CB 3.3Å; L623-L627 WeakPolarHBondContact O-CG 3.4Å; L623-L627 PolarHBondContact O-N 2.98Å; Y624-L627 PolarHBondContact O-N 2.89Å; L627-H629 PolarHBondContact O-N 3.26Å; L627-L630 PolarHBondContact O-N 3.45Å; L627-V631 WeakPolarHBondContact O-CG2 3.31Å; L627-V631 PolarHBondContact O-N 3.43Å
628	K	93.9	Very high	92.3	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-59.5	-44.8	177.2	-178.5	54.7	173.5	158.1	0	111.8	E557 Y624 L630 V631 D632	E557-K628 VanDerWaalsContact CD-NZ 3.31Å; E557-K628 IonicContact OE1-NZ 3.29Å; E557-K628 PolarHBondContact OE1-NZ 3.39Å; E557-K628 VanDerWaalsContact OE2-CD 3.3Å; E557-K628 WeakPolarHBondContact OE2-CD 3.12Å; E557-K628 WeakPolarHBondContact OE2-CE 3.19Å; E557-K628 IonicContact OE2-NZ 3.95Å; E557-K628 PolarHBondContact OE2-NZ 2.62Å; Y624-K628 HydrophobicContact CE1-CB 4.46Å; Y624-K628 WeakPolarHBondContact O-CB 3.39Å; Y624-K628 PolarHBondContact O-N 2.91Å; K628-L630 VanDerWaalsContact C-N 3.33Å; K628-L630 PolarHBondContact O-N 3.18Å; K628-V631 PolarHBondContact O-N 3.44Å; K628-D632 WeakPolarHBondContact CD-OD2 3.16Å; K628-D632 WeakPolarHBondContact CE-OD2 3.29Å; K628-D632 VanDerWaalsContact NZ-CG 3.29Å; K628-D632 IonicContact NZ-OD1 3.22Å; K628-D632 PolarHBondContact NZ-OD1 3.38Å; K628-D632 IonicContact NZ-OD2 3.53Å; K628-D632 PolarHBondContact NZ-OD2 3.16Å; K628-D632 VanDerWaalsContact NZ-OD2 3.12Å; K628-D632 WeakPolarHBondContact O-CB 3.32Å; K628-D632 PolarHBondContact O-N 2.92Å
629	H	94.1	Very high	91.3	Very high	36 Å²	36	22 Å²	22	17%	0.167	11%	0.112	C	C	.	.	H	α-helix	trans	-61.7	-41	176.4	-177.3	66.1	0	0	0	112.5	L125 Q128 I132 M625 L626 L627 R633	L125-H629 PolarHBondContact O-CE1 3.43Å; Q128-H629 PolarHBondContact OE1-ND1 2.99Å; I132-H629 HydrophobicContact CD1-CB 3.72Å; M625-H629 VanDerWaalsContact O-CB 3.25Å; M625-H629 WeakPolarHBondContact O-CB 3.27Å; M625-H629 PolarHBondContact O-N 3.36Å; L626-H629 PolarHBondContact O-N 3.46Å; L627-H629 PolarHBondContact O-N 3.26Å; H629-R633 WeakPolarHBondContact O-CB 3.24Å; H629-R633 PolarHBondContact O-N 3.12Å
630	L	92.4	Very high	90.6	Very high	37 Å²	37	22.5 Å²	22.5	19%	0.194	11%	0.11	C	C	.	.	H	α-helix	trans	-68.3	-44.4	178.1	-178.2	137.1	0	0	0	112.2	W101 L102 I105 V106 L626 L627 K628 R633 H634	W101-L630 HydrophobicContact CZ3-CD2 4.31Å; L102-L630 HydrophobicContact CD1-CD1 3.76Å; L102-L630 HydrophobicContact CD1-CD2 3.61Å; L102-L630 HydrophobicContact CD1-CG 4.26Å; I105-L630 HydrophobicContact CG2-CG 4.46Å; V106-L630 HydrophobicContact CG2-CD1 3.77Å; L626-L630 PolarHBondContact O-N 3.48Å; L626-L630 VanDerWaalsContact O-N 3.08Å; L627-L630 PolarHBondContact O-N 3.45Å; K628-L630 VanDerWaalsContact C-N 3.33Å; K628-L630 PolarHBondContact O-N 3.18Å; L630-R633 PolarHBondContact O-N 3.16Å; L630-H634 PolarHBondContact O-N 3.44Å
631	V	91.8	Very high	89.8	Confident	4 Å²	4	22 Å²	22	2%	0.024	11%	0.109	C	C	.	.	H	α-helix	trans	-65.1	-44.5	178.2	171.2	0	0	0	0	111	E557 L558 L627 K628 R633 H634 N635	E557-V631 HydrophobicContact CB-CG1 4.11Å; L558-V631 HydrophobicContact CB-CG1 3.98Å; L558-V631 HydrophobicContact CB-CG2 4.27Å; L558-V631 HydrophobicContact CD1-CG1 4.19Å; L558-V631 HydrophobicContact CD1-CG2 4.32Å; L627-V631 WeakPolarHBondContact O-CG2 3.31Å; L627-V631 PolarHBondContact O-N 3.43Å; K628-V631 PolarHBondContact O-N 3.44Å; V631-R633 PolarHBondContact O-N 2.99Å; V631-H634 WeakPolarHBondContact O-CB 3.49Å; V631-H634 PolarHBondContact O-N 3.24Å; V631-N635 WeakPolarHBondContact O-CB 3.36Å; V631-N635 PolarHBondContact O-N 3.11Å
632	D	91.6	Very high	88.9	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.011	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-39.6	178.4	-75.2	-16.5	0	0	0	112	Y124 L125 Q128 K628 H634 N635 L636	Y124-D632 HydrophobicContact CE1-CB 3.92Å; Y124-D632 WeakPolarHBondContact CE1-OD2 3.43Å; Y124-D632 PolarHBondContact OH-OD2 3.19Å; L125-D632 HydrophobicContact CD2-CB 4.46Å; Q128-D632 PolarHBondContact NE2-OD2 3.24Å; K628-D632 WeakPolarHBondContact CD-OD2 3.16Å; K628-D632 WeakPolarHBondContact CE-OD2 3.29Å; K628-D632 VanDerWaalsContact NZ-CG 3.29Å; K628-D632 IonicContact NZ-OD1 3.22Å; K628-D632 PolarHBondContact NZ-OD1 3.38Å; K628-D632 IonicContact NZ-OD2 3.53Å; K628-D632 PolarHBondContact NZ-OD2 3.16Å; K628-D632 VanDerWaalsContact NZ-OD2 3.12Å; K628-D632 WeakPolarHBondContact O-CB 3.32Å; K628-D632 PolarHBondContact O-N 2.92Å; D632-H634 VanDerWaalsContact C-N 3.3Å; D632-H634 PolarHBondContact O-N 3.32Å; D632-N635 PolarHBondContact O-N 3.45Å; D632-L636 VanDerWaalsContact O-CB 3.26Å; D632-L636 WeakPolarHBondContact O-CB 3.44Å; D632-L636 WeakPolarHBondContact O-CG 3.22Å; D632-L636 PolarHBondContact O-N 3.15Å
633	R	90.6	Very high	87.9	Confident	25 Å²	25	24.8 Å²	24.8	9%	0.094	13%	0.128	C	C	.	.	H	α-helix	trans	-60.8	-40.2	174.3	-171.7	-177.1	-176	91.6	4.1	111.6	I105 M108 I113 L125 H629 L630 V631 F637	I105-R633 HydrophobicContact CG2-CB 4.08Å; I105-R633 HydrophobicContact CG2-CG 3.88Å; I105-R633 WeakPolarHBondContact O-CD 3.33Å; I105-R633 PolarHBondContact O-NE 3.13Å; M108-R633 HydrophobicContact CE-CG 3.86Å; M108-R633 PolarHBondContact O-NH2 3.5Å; I113-R633 HydrophobicContact CD1-CG 4.1Å; L125-R633 HydrophobicContact CD1-CB 4.48Å; L125-R633 HydrophobicContact CD1-CG 4.27Å; L125-R633 HydrophobicContact CD2-CB 4.1Å; H629-R633 WeakPolarHBondContact O-CB 3.24Å; H629-R633 PolarHBondContact O-N 3.12Å; L630-R633 PolarHBondContact O-N 3.16Å; V631-R633 PolarHBondContact O-N 2.99Å; R633-F637 PolarHBondContact O-N 3.19Å
634	H	87.4	Confident	86.8	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.009	13%	0.133	C	C	.	.	H	α-helix	trans	-61.4	-55.3	172.8	-176.4	57.7	0	0	0	111.4	F52 R56 W60 I105 L558 L630 V631 D632 L636 F637 F638	F52-H634 AromaticContact CZ-NE2 3.46Å; F52-H634 WeakPolarHBondContact CZ-NE2 3.48Å; R56-H634 PolarHBondContact NH1-CE1 3.23Å; W60-H634 AromaticContact CH2-NE2 3.93Å; I105-H634 HydrophobicContact CD1-CB 3.71Å; I105-H634 WeakPolarHBondContact CD1-ND1 3.39Å; I105-H634 HydrophobicContact CG1-CB 4.5Å; L558-H634 HydrophobicContact CD1-CB 4.33Å; L630-H634 PolarHBondContact O-N 3.44Å; V631-H634 WeakPolarHBondContact O-CB 3.49Å; V631-H634 PolarHBondContact O-N 3.24Å; D632-H634 VanDerWaalsContact C-N 3.3Å; D632-H634 PolarHBondContact O-N 3.32Å; H634-L636 PolarHBondContact O-N 2.95Å; H634-F637 PolarHBondContact O-N 3.35Å; H634-F638 AromaticContact CE1-CD2 3.27Å; H634-F638 WeakPolarHBondContact CE1-CD2 3.47Å; H634-F638 AromaticContact CE1-CE2 3.79Å; H634-F638 AromaticContact CE1-CG 3.94Å; H634-F638 AromaticContact ND1-CD2 3.26Å; H634-F638 VanDerWaalsContact ND1-CD2 3.26Å; H634-F638 WeakPolarHBondContact ND1-CD2 3.32Å; H634-F638 AromaticContact ND1-CE2 3.62Å; H634-F638 WeakPolarHBondContact O-CD2 3.3Å; H634-F638 PolarHBondContact O-N 3.5Å; H634-F638 VanDerWaalsContact O-N 3.07Å
635	N	87.4	Confident	85.9	Confident	6 Å²	6	28 Å²	28	3%	0.032	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-46.2	-172	-84	-10.4	0	0	0	111.3	E557 V631 D632 F637 F638 A639 Y640	E557-N635 PolarHBondContact O-ND2 2.89Å; E557-N635 VanDerWaalsContact O-ND2 3.07Å; V631-N635 WeakPolarHBondContact O-CB 3.36Å; V631-N635 PolarHBondContact O-N 3.11Å; D632-N635 PolarHBondContact O-N 3.45Å; N635-F637 VanDerWaalsContact C-N 3.28Å; N635-F637 PolarHBondContact O-N 3.25Å; N635-F638 PolarHBondContact O-N 3.47Å; N635-A639 WeakPolarHBondContact O-CA 3.37Å; N635-A639 VanDerWaalsContact O-CB 3.23Å; N635-A639 WeakPolarHBondContact O-CB 3.32Å; N635-A639 PolarHBondContact O-N 3.31Å; N635-Y640 HydrophobicContact CB-CD2 4.19Å; N635-Y640 HydrophobicContact CB-CE2 3.92Å; N635-Y640 WeakPolarHBondContact O-CD2 3.34Å; N635-Y640 PolarHBondContact O-N 3.36Å
636	L	86.5	Confident	84.9	Confident	6 Å²	6	29.4 Å²	29.4	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-56.8	-40.8	176.7	-80.6	165.6	0	0	0	112.5	C117 A121 Y124 L125 F591 D632 H634	C117-L636 PolarHBondContact SG-O 3.42Å; A121-L636 HydrophobicContact CB-CD1 4.4Å; A121-L636 HydrophobicContact CB-CD2 4.32Å; Y124-L636 HydrophobicContact CD1-CD1 3.97Å; Y124-L636 HydrophobicContact CE1-CD1 4.45Å; L125-L636 HydrophobicContact CD1-CD1 4.25Å; L125-L636 HydrophobicContact CD2-CD1 4.03Å; L125-L636 HydrophobicContact CG-CD1 4.01Å; F591-L636 HydrophobicContact CB-CD2 3.88Å; F591-L636 HydrophobicContact CD1-CD2 3.6Å; F591-L636 HydrophobicContact CD2-CD2 3.57Å; F591-L636 HydrophobicContact CD2-CG 4.07Å; F591-L636 HydrophobicContact CE1-CD2 3.9Å; F591-L636 HydrophobicContact CE1-CG 4.4Å; F591-L636 HydrophobicContact CE2-CD2 3.89Å; F591-L636 HydrophobicContact CE2-CG 3.94Å; F591-L636 HydrophobicContact CG-CD2 3.4Å; F591-L636 HydrophobicContact CG-CG 4.35Å; F591-L636 HydrophobicContact CZ-CD1 4.32Å; F591-L636 HydrophobicContact CZ-CD2 4.02Å; F591-L636 HydrophobicContact CZ-CG 4.09Å; D632-L636 VanDerWaalsContact O-CB 3.26Å; D632-L636 WeakPolarHBondContact O-CB 3.44Å; D632-L636 WeakPolarHBondContact O-CG 3.22Å; D632-L636 PolarHBondContact O-N 3.15Å; H634-L636 PolarHBondContact O-N 2.95Å
637	F	84.1	Confident	83.9	Confident	25 Å²	25	27.5 Å²	27.5	11%	0.11	13%	0.131	C	C	.	.	H	α-helix	trans	-77.6	-36.4	-176.1	-169.9	-94.4	0	0	0	113.4	F104 M108 I113 K116 R633 H634 N635	F104-F637 HydrophobicContact CE1-CE1 4.27Å; M108-F637 HydrophobicContact CE-CB 3.94Å; M108-F637 HydrophobicContact CE-CD2 3.96Å; M108-F637 HydrophobicContact CE-CG 3.94Å; M108-F637 HydrophobicContact SD-CB 4.36Å; M108-F637 HydrophobicContact SD-CD1 4.08Å; M108-F637 HydrophobicContact SD-CD2 3.46Å; M108-F637 WeakPolarHBondContact SD-CD2 3.32Å; M108-F637 HydrophobicContact SD-CE1 4.22Å; M108-F637 HydrophobicContact SD-CE2 3.61Å; M108-F637 HydrophobicContact SD-CG 3.7Å; M108-F637 HydrophobicContact SD-CZ 3.99Å; I113-F637 HydrophobicContact CG1-CD2 4.42Å; K116-F637 HydrophobicContact CB-CE2 4.2Å; K116-F637 HydrophobicContact CD-CD1 4.37Å; K116-F637 HydrophobicContact CD-CD2 3.74Å; K116-F637 HydrophobicContact CD-CE1 4.12Å; K116-F637 HydrophobicContact CD-CE2 3.43Å; K116-F637 VanDerWaalsContact CD-CE2 3.43Å; K116-F637 HydrophobicContact CD-CG 4.21Å; K116-F637 HydrophobicContact CD-CZ 3.65Å; K116-F637 WeakPolarHBondContact CE-O 3.36Å; K116-F637 HydrophobicContact CG-CE2 4.45Å; K116-F637 PolarHBondContact NZ-O 2.8Å; R633-F637 PolarHBondContact O-N 3.19Å; H634-F637 PolarHBondContact O-N 3.35Å; N635-F637 VanDerWaalsContact C-N 3.28Å; N635-F637 PolarHBondContact O-N 3.25Å
638	F	79.5	Confident	83.2	Confident	16 Å²	16	28.7 Å²	28.7	7%	0.07	14%	0.143	C	C	.	.	H	α-helix	trans	-107.8	-20.2	-170.3	-70.1	-74.1	0	0	0	115.1	W60 L67 Y94 F104 I105 H634 N635	W60-F638 HydrophobicContact CH2-CB 3.82Å; W60-F638 HydrophobicContact CH2-CG 4.22Å; W60-F638 HydrophobicContact CZ2-CB 3.81Å; W60-F638 AromaticContact CZ2-CD1 3.8Å; W60-F638 HydrophobicContact CZ2-CD1 3.8Å; W60-F638 AromaticContact CZ2-CG 3.94Å; W60-F638 HydrophobicContact CZ2-CG 3.94Å; L67-F638 WeakPolarHBondContact CD1-O 3.45Å; Y94-F638 HydrophobicContact CE2-CE1 4.22Å; Y94-F638 HydrophobicContact CE2-CZ 4.46Å; F104-F638 HydrophobicContact CD1-CE2 4.31Å; F104-F638 AromaticContact CD1-CZ 3.99Å; F104-F638 HydrophobicContact CD1-CZ 3.99Å; F104-F638 HydrophobicContact CE1-CE2 4.19Å; F104-F638 AromaticContact CE1-CZ 3.67Å; F104-F638 HydrophobicContact CE1-CZ 3.67Å; I105-F638 HydrophobicContact CG1-CE2 4.35Å; H634-F638 AromaticContact CE1-CD2 3.27Å; H634-F638 WeakPolarHBondContact CE1-CD2 3.47Å; H634-F638 AromaticContact CE1-CE2 3.79Å; H634-F638 AromaticContact CE1-CG 3.94Å; H634-F638 AromaticContact ND1-CD2 3.26Å; H634-F638 VanDerWaalsContact ND1-CD2 3.26Å; H634-F638 WeakPolarHBondContact ND1-CD2 3.32Å; H634-F638 AromaticContact ND1-CE2 3.62Å; H634-F638 WeakPolarHBondContact O-CD2 3.3Å; H634-F638 PolarHBondContact O-N 3.5Å; H634-F638 VanDerWaalsContact O-N 3.07Å; N635-F638 PolarHBondContact O-N 3.47Å
639	A	76.1	Confident	82.8	Confident	8 Å²	8	28.7 Å²	28.7	7%	0.066	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-19.6	-160.4	0	0	0	0	0	115.1	R560 N635	R560-A639 PolarHBondContact NH1-O 3.02Å; N635-A639 WeakPolarHBondContact O-CA 3.37Å; N635-A639 VanDerWaalsContact O-CB 3.23Å; N635-A639 WeakPolarHBondContact O-CB 3.32Å; N635-A639 PolarHBondContact O-N 3.31Å
640	Y	80.6	Confident	82.4	Confident	52 Å²	52	27 Å²	27	20%	0.204	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.6	-173.4	-70.4	-82	0	0	0	112.2	Y589 E590 F591 N635	Y589-Y640 WeakPolarHBondContact O-CA 3.46Å; Y589-Y640 VanDerWaalsContact O-CD1 3.26Å; Y589-Y640 WeakPolarHBondContact O-CD1 3.48Å; E590-Y640 WeakPolarHBondContact O-CD1 3.44Å; F591-Y640 HydrophobicContact CB-CD1 3.99Å; F591-Y640 HydrophobicContact CB-CG 3.91Å; F591-Y640 HydrophobicContact CD2-CD1 4.14Å; F591-Y640 AromaticContact CD2-CD2 3.6Å; F591-Y640 HydrophobicContact CD2-CD2 3.6Å; F591-Y640 HydrophobicContact CD2-CE1 4.29Å; F591-Y640 AromaticContact CD2-CE2 3.78Å; F591-Y640 HydrophobicContact CD2-CE2 3.78Å; F591-Y640 AromaticContact CD2-CG 3.8Å; F591-Y640 HydrophobicContact CD2-CG 3.8Å; F591-Y640 HydrophobicContact CE2-CD2 4.34Å; F591-Y640 HydrophobicContact CE2-CE2 4.24Å; F591-Y640 HydrophobicContact CG-CG 4.36Å; N635-Y640 HydrophobicContact CB-CD2 4.19Å; N635-Y640 HydrophobicContact CB-CE2 3.92Å; N635-Y640 WeakPolarHBondContact O-CD2 3.34Å; N635-Y640 PolarHBondContact O-N 3.36Å
641	L	78.5	Confident	82	Confident	29 Å²	29	26.3 Å²	26.3	15%	0.152	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	150.8	169.7	-64.4	98.5	0	0	0	111.3	D70 A588 Y589 T643	D70-L641 HydrophobicContact CB-CD2 4.24Å; D70-L641 WeakPolarHBondContact OD2-CD2 3.24Å; A588-L641 VanDerWaalsContact C-CD1 3.43Å; A588-L641 HydrophobicContact CB-CD1 3.28Å; A588-L641 HydrophobicContact CB-CG 4.17Å; Y589-L641 WeakPolarHBondContact O-CD1 3.28Å; Y589-L641 PolarHBondContact O-N 3.47Å; Y589-L641 VanDerWaalsContact O-N 3.16Å; L641-T643 PolarHBondContact O-N 3.44Å
642	P	77.8	Confident	81.7	Confident	80 Å²	80	26.7 Å²	26.7	52%	0.519	14%	0.136	S	C	.	.			trans	-63.1	122.4	170.9	26.9	-34.2	0	0	0	110.4	C117	C117-P642 WeakPolarHBondContact O-CB 3.45Å
643	T	75.6	Confident	81.5	Confident	7 Å²	7	26.6 Å²	26.6	4%	0.043	14%	0.135	C	C	.	.			trans	-104.3	145.7	172.9	45.3	0	0	0	0	110.3	M480 E590 Y593 L641	M480-T643 HydrophobicContact CE-CG2 3.71Å; E590-T643 HydrophobicContact CB-CG2 3.44Å; E590-T643 VanDerWaalsContact CB-CG2 3.44Å; E590-T643 HydrophobicContact CG-CG2 3.56Å; Y593-T643 WeakPolarHBondContact CE2-OG1 3.49Å; L641-T643 PolarHBondContact O-N 3.44Å
644	R	74	Confident	81.4	Confident	116 Å²	116	25.5 Å²	25.5	44%	0.438	13%	0.132	S	C	.	.			trans	-110.1	109.5	177.9	-67.1	-174.7	177.9	176.4	-4.4	109.6	D120 E209 H387	D120-R644 WeakPolarHBondContact OD2-CA 3.34Å; E209-R644 IonicContact OE2-CZ 3.67Å; E209-R644 IonicContact OE2-NE 2.97Å; E209-R644 PolarHBondContact OE2-NE 2.98Å; E209-R644 IonicContact OE2-NH2 2.62Å; H387-R644 PolarHBondContact NE2-NH1 3.43Å
645	L	76.1	Confident	81.2	Confident	18 Å²	18	28.9 Å²	28.9	9%	0.094	15%	0.15	C	C	.	.			trans	-111.4	157.1	179.4	-67.9	-175.5	0	0	0	112	D120 M480 Q484 Y593 V649	D120-L645 PolarHBondContact OD2-N 3.04Å; M480-L645 HydrophobicContact CE-CD2 4.17Å; M480-L645 HydrophobicContact CG-CD2 3.78Å; M480-L645 HydrophobicContact SD-CD2 3.92Å; Q484-L645 HydrophobicContact CG-CD2 3.98Å; Y593-L645 HydrophobicContact CD2-CD1 3.23Å; Y593-L645 HydrophobicContact CD2-CG 4.07Å; Y593-L645 HydrophobicContact CE2-CD1 4.05Å; Y593-L645 HydrophobicContact CG-CD1 3.77Å; L645-V649 HydrophobicContact CD1-CG1 4.36Å
646	D	73.9	Confident	81.3	Confident	30 Å²	30	29.7 Å²	29.7	16%	0.16	15%	0.153	C	C	.	.			trans	-72.4	143	165.7	-74.2	-65.9	0	0	0	111	R210 S481 S648 V649	R210-D646 IonicContact CZ-OD1 3.19Å; R210-D646 IonicContact NE-OD1 3.6Å; R210-D646 PolarHBondContact NE-OD1 3.48Å; R210-D646 IonicContact NH2-OD1 3.78Å; R210-D646 PolarHBondContact NH2-OD1 2.91Å; S481-D646 WeakPolarHBondContact CB-OD2 3.31Å; S481-D646 VanDerWaalsContact OG-CB 3.28Å; S481-D646 WeakPolarHBondContact OG-CB 3.4Å; S481-D646 VanDerWaalsContact OG-CG 3.31Å; S481-D646 PolarHBondContact OG-N 2.89Å; S481-D646 PolarHBondContact OG-OD2 3.5Å; D646-S648 WeakPolarHBondContact CB-OG 3.43Å; D646-S648 PolarHBondContact O-N 3.32Å; D646-V649 PolarHBondContact O-N 3.44Å
647	R	76.8	Confident	81.4	Confident	45 Å²	45	29.4 Å²	29.4	17%	0.17	15%	0.152	C	C	.	.	H	α-helix	trans	-50.2	-25.7	171.5	-179.8	175.3	175.1	172.9	1.5	114.1	M203 V649 H650 L651	M203-R647 PolarHBondContact O-NH1 3.07Å; R647-V649 PolarHBondContact O-N 2.92Å; R647-H650 PolarHBondContact O-N 2.99Å; R647-L651 HydrophobicContact CG-CD1 3.92Å; R647-L651 HydrophobicContact CG-CG 3.99Å; R647-L651 WeakPolarHBondContact O-CG 3.42Å; R647-L651 PolarHBondContact O-N 3.21Å
648	S	78.5	Confident	81.7	Confident	58 Å²	58	30.3 Å²	30.3	41%	0.406	16%	0.157	S	C	.	.	H	α-helix	trans	-58.4	-29	178.1	50.6	0	0	0	0	113.1	D646 G652	D646-S648 WeakPolarHBondContact CB-OG 3.43Å; D646-S648 PolarHBondContact O-N 3.32Å; S648-G652 PolarHBondContact O-N 2.9Å
649	V	85.2	Confident	82	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69	-48.8	176.6	-176.3	0	0	0	0	110.4	Q484 L645 D646 R647 L651 G652 A653	Q484-V649 HydrophobicContact CB-CG1 4.38Å; Q484-V649 HydrophobicContact CB-CG2 4.44Å; L645-V649 HydrophobicContact CD1-CG1 4.36Å; D646-V649 PolarHBondContact O-N 3.44Å; R647-V649 PolarHBondContact O-N 2.92Å; V649-L651 VanDerWaalsContact C-N 3.33Å; V649-L651 PolarHBondContact O-N 3.06Å; V649-G652 PolarHBondContact O-N 3.31Å; V649-A653 PolarHBondContact O-N 2.97Å
650	H	86.8	Confident	82.8	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-42	176.6	-64.4	-77.7	0	0	0	112.3	D120 M203 Y597 R647 A653 V654	D120-H650 PolarHBondContact O-CE1 2.77Å; D120-H650 IonicContact OD1-CD2 3.69Å; D120-H650 IonicContact OD1-NE2 2.93Å; D120-H650 PolarHBondContact OD1-NE2 3.2Å; M203-H650 HydrophobicContact CE-CB 3.89Å; Y597-H650 AromaticContact CZ-ND1 3.76Å; Y597-H650 PolarHBondContact OH-CE1 3.39Å; Y597-H650 PolarHBondContact OH-ND1 2.76Å; R647-H650 PolarHBondContact O-N 2.99Å; H650-A653 WeakPolarHBondContact O-CB 3.21Å; H650-A653 PolarHBondContact O-N 3.43Å; H650-V654 PolarHBondContact O-N 3.2Å
651	L	83.4	Confident	83.3	Confident	22 Å²	22	28.1 Å²	28.1	12%	0.115	15%	0.153	C	C	.	.	H	α-helix	trans	-66.8	-39.5	175.8	-73.5	177.4	0	0	0	112.2	T200 R647 V649 A653 V654 D655 H712	T200-L651 HydrophobicContact CG2-CD2 3.84Å; R647-L651 HydrophobicContact CG-CD1 3.92Å; R647-L651 HydrophobicContact CG-CG 3.99Å; R647-L651 WeakPolarHBondContact O-CG 3.42Å; R647-L651 PolarHBondContact O-N 3.21Å; V649-L651 VanDerWaalsContact C-N 3.33Å; V649-L651 PolarHBondContact O-N 3.06Å; L651-A653 VanDerWaalsContact C-N 3.26Å; L651-A653 PolarHBondContact O-N 3.05Å; L651-V654 WeakPolarHBondContact O-CB 3.33Å; L651-V654 PolarHBondContact O-N 3.18Å; L651-V654 VanDerWaalsContact O-N 3.14Å; L651-D655 PolarHBondContact O-N 2.64Å; L651-H712 WeakPolarHBondContact CB-NE2 3.4Å
652	G	84.3	Confident	83.8	Confident	12 Å²	12	28 Å²	28	12%	0.124	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-34.9	173.6	0	0	0	0	0	112.8	S648 V649 D655 Q656	S648-G652 PolarHBondContact O-N 2.9Å; V649-G652 PolarHBondContact O-N 3.31Å; G652-D655 PolarHBondContact O-N 3.29Å; G652-Q656 WeakPolarHBondContact O-CG 3.38Å; G652-Q656 PolarHBondContact O-N 3Å
653	A	89	Confident	84.4	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-38.9	174.2	0	0	0	0	0	111.9	M488 Y597 L601 V649 H650 L651 Q656 A657	M488-A653 HydrophobicContact CE-CB 4.36Å; M488-A653 HydrophobicContact SD-CB 3.79Å; Y597-A653 HydrophobicContact CD1-CB 3.52Å; Y597-A653 HydrophobicContact CD2-CB 4.17Å; Y597-A653 HydrophobicContact CE1-CB 3.71Å; Y597-A653 HydrophobicContact CE2-CB 4.36Å; Y597-A653 HydrophobicContact CG-CB 3.78Å; L601-A653 HydrophobicContact CD1-CB 4.28Å; V649-A653 PolarHBondContact O-N 2.97Å; H650-A653 WeakPolarHBondContact O-CB 3.21Å; H650-A653 PolarHBondContact O-N 3.43Å; L651-A653 VanDerWaalsContact C-N 3.26Å; L651-A653 PolarHBondContact O-N 3.05Å; A653-Q656 PolarHBondContact O-N 3.17Å; A653-A657 WeakPolarHBondContact O-CB 3.44Å; A653-A657 PolarHBondContact O-N 3.03Å
654	V	87.8	Confident	85.1	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-45.1	173.8	172.4	0	0	0	0	111.2	F127 L196 H650 L651 Q656 A657 L658	F127-V654 HydrophobicContact CD2-CG2 4.15Å; F127-V654 HydrophobicContact CE2-CG2 4.12Å; L196-V654 HydrophobicContact CB-CG1 3.99Å; L196-V654 HydrophobicContact CD1-CG1 4.39Å; L196-V654 HydrophobicContact CD2-CG1 4.27Å; L196-V654 HydrophobicContact CG-CG1 4.45Å; H650-V654 PolarHBondContact O-N 3.2Å; L651-V654 WeakPolarHBondContact O-CB 3.33Å; L651-V654 PolarHBondContact O-N 3.18Å; L651-V654 VanDerWaalsContact O-N 3.14Å; V654-Q656 VanDerWaalsContact C-N 3.3Å; V654-Q656 PolarHBondContact O-N 2.79Å; V654-A657 WeakPolarHBondContact O-CB 3.17Å; V654-A657 PolarHBondContact O-N 3.16Å; V654-L658 PolarHBondContact O-N 3.18Å
655	D	83.6	Confident	85.9	Confident	73 Å²	73	20.1 Å²	20.1	39%	0.39	11%	0.114	S	C	.	.	H	α-helix	trans	-63.5	-37.9	178.1	-68.6	-20.4	0	0	0	111.7	L651 G652 L658 H712	L651-D655 PolarHBondContact O-N 2.64Å; G652-D655 PolarHBondContact O-N 3.29Å; D655-L658 WeakPolarHBondContact O-CB 3.41Å; D655-L658 PolarHBondContact O-N 3.49Å; D655-H712 IonicContact OD1-CE1 2.76Å; D655-H712 PolarHBondContact OD1-CE1 2.89Å; D655-H712 IonicContact OD1-ND1 3.4Å; D655-H712 PolarHBondContact OD1-ND1 3.19Å; D655-H712 IonicContact OD2-CE1 3.44Å; D655-H712 PolarHBondContact OD2-CE1 3.32Å; D655-H712 IonicContact OD2-ND1 3.25Å; D655-H712 IonicContact OD2-NE2 3.49Å; D655-H712 PolarHBondContact OD2-NE2 3.4Å
656	Q	88.6	Confident	86.5	Confident	23 Å²	23	23 Å²	23	11%	0.107	13%	0.129	C	C	.	.	H	α-helix	trans	-69.1	-35.5	174.3	-75.1	-179.7	-11.9	0	0	113.1	M488 R489 L601 G652 A653 V654 L658 A659	M488-Q656 HydrophobicContact CE-CG 4.47Å; M488-Q656 VanDerWaalsContact CG-OE1 3.23Å; R489-Q656 VanDerWaalsContact CA-NE2 3.34Å; L601-Q656 HydrophobicContact CD1-CB 3.8Å; L601-Q656 VanDerWaalsContact CD1-OE1 3.3Å; G652-Q656 WeakPolarHBondContact O-CG 3.38Å; G652-Q656 PolarHBondContact O-N 3Å; A653-Q656 PolarHBondContact O-N 3.17Å; V654-Q656 VanDerWaalsContact C-N 3.3Å; V654-Q656 PolarHBondContact O-N 2.79Å; Q656-L658 PolarHBondContact O-N 3.22Å; Q656-A659 WeakPolarHBondContact O-CB 3.37Å; Q656-A659 PolarHBondContact O-N 3.4Å
657	A	90.1	Very high	87	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-30.8	174.9	0	0	0	0	0	112.3	F127 L196 L601 A653 V654 A659 A660 P661	F127-A657 HydrophobicContact CE2-CB 4.31Å; F127-A657 HydrophobicContact CZ-CB 4.1Å; L196-A657 HydrophobicContact CD1-CB 3.83Å; L196-A657 HydrophobicContact CD2-CB 4.16Å; L601-A657 HydrophobicContact CD2-CB 3.67Å; A653-A657 WeakPolarHBondContact O-CB 3.44Å; A653-A657 PolarHBondContact O-N 3.03Å; V654-A657 WeakPolarHBondContact O-CB 3.17Å; V654-A657 PolarHBondContact O-N 3.16Å; A657-A659 PolarHBondContact O-N 2.96Å; A657-A660 WeakPolarHBondContact O-CB 3.17Å; A657-A660 PolarHBondContact O-N 3.31Å; A657-P661 WeakPolarHBondContact O-CD 3.48Å
658	L	88.6	Confident	87.5	Confident	43 Å²	43	20.4 Å²	20.4	23%	0.225	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.8	173.8	-69.6	170.3	0	0	0	113.2	V193 L196 V654 D655 Q656 A660 P661 I662	V193-L658 HydrophobicContact CG2-CD2 3.8Å; L196-L658 HydrophobicContact CD1-CD2 3.58Å; L196-L658 HydrophobicContact CD1-CG 3.72Å; V654-L658 PolarHBondContact O-N 3.18Å; D655-L658 WeakPolarHBondContact O-CB 3.41Å; D655-L658 PolarHBondContact O-N 3.49Å; Q656-L658 PolarHBondContact O-N 3.22Å; L658-A660 VanDerWaalsContact C-N 3.29Å; L658-A660 PolarHBondContact O-N 3.3Å; L658-P661 WeakPolarHBondContact O-CD 3.35Å; L658-P661 WeakPolarHBondContact O-CG 3.18Å; L658-I662 WeakPolarHBondContact O-CD1 2.83Å; L658-I662 WeakPolarHBondContact O-CG1 3.33Å
659	A	87.8	Confident	87.9	Confident	27 Å²	27	19.9 Å²	19.9	22%	0.223	11%	0.106	C	C	.	.	H	α-helix	trans	-69.9	-27	175	0	0	0	0	0	112.4	Q656 A657 I662 I663	Q656-A659 WeakPolarHBondContact O-CB 3.37Å; Q656-A659 PolarHBondContact O-N 3.4Å; A657-A659 PolarHBondContact O-N 2.96Å; A659-I662 PolarHBondContact O-N 3.48Å; A659-I663 WeakPolarHBondContact O-CB 3.21Å; A659-I663 VanDerWaalsContact O-CG1 3.3Å; A659-I663 WeakPolarHBondContact O-CG1 3.19Å; A659-I663 PolarHBondContact O-N 2.91Å
660	A	91.8	Very high	87.7	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.6	-53.9	-178.4	0	0	0	0	0	113.9	F604 T605 M608 A657 L658 I662 I663 C664	F604-A660 HydrophobicContact CD1-CB 3.81Å; F604-A660 HydrophobicContact CE1-CB 3.59Å; T605-A660 HydrophobicContact CG2-CB 4.27Å; T605-A660 WeakPolarHBondContact OG1-CB 3.32Å; M608-A660 HydrophobicContact CB-CB 3.99Å; M608-A660 HydrophobicContact CG-CB 3.98Å; A657-A660 WeakPolarHBondContact O-CB 3.17Å; A657-A660 PolarHBondContact O-N 3.31Å; L658-A660 VanDerWaalsContact C-N 3.29Å; L658-A660 PolarHBondContact O-N 3.3Å; A660-I662 VanDerWaalsContact C-N 3.31Å; A660-I662 PolarHBondContact O-N 3.38Å; A660-I663 PolarHBondContact O-N 3.38Å; A660-C664 PolarHBondContact O-N 2.76Å
661	P	90.6	Very high	87.3	Confident	4 Å²	4	22.8 Å²	22.8	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-68.1	-27.7	177	27.5	-37.2	0	0	0	113.3	L189 T192 M608 A657 L658 C664 L665	L189-P661 HydrophobicContact CB-CB 4.17Å; L189-P661 HydrophobicContact CD1-CB 3.72Å; L189-P661 HydrophobicContact CD1-CG 3.64Å; T192-P661 HydrophobicContact CG2-CG 4.02Å; M608-P661 HydrophobicContact CE-CB 4.47Å; A657-P661 WeakPolarHBondContact O-CD 3.48Å; L658-P661 WeakPolarHBondContact O-CD 3.35Å; L658-P661 WeakPolarHBondContact O-CG 3.18Å; P661-C664 WeakPolarHBondContact O-CB 2.97Å; P661-C664 PolarHBondContact O-N 3.21Å; P661-L665 WeakPolarHBondContact O-CG 3.48Å; P661-L665 PolarHBondContact O-N 3.46Å
662	I	89.9	Confident	87.2	Confident	26 Å²	26	21.9 Å²	21.9	13%	0.133	12%	0.115	C	C	.	.	H	α-helix	trans	-66	-44.2	173.9	-60.4	170.2	0	0	0	109.8	L658 A659 A660 C664 L665 I666 L690 V694 C697	L658-I662 WeakPolarHBondContact O-CD1 2.83Å; L658-I662 WeakPolarHBondContact O-CG1 3.33Å; A659-I662 PolarHBondContact O-N 3.48Å; A660-I662 VanDerWaalsContact C-N 3.31Å; A660-I662 PolarHBondContact O-N 3.38Å; I662-C664 VanDerWaalsContact C-N 3.31Å; I662-C664 PolarHBondContact O-N 3.28Å; I662-L665 WeakPolarHBondContact O-CB 3.34Å; I662-L665 PolarHBondContact O-N 3.13Å; I662-L665 VanDerWaalsContact O-N 3.16Å; I662-I666 HydrophobicContact CG2-CD1 4.22Å; I662-I666 WeakPolarHBondContact O-CG1 2.97Å; I662-I666 PolarHBondContact O-N 3.03Å; I662-L690 HydrophobicContact CG2-CD1 4.36Å; I662-V694 HydrophobicContact CG2-CG2 4.44Å; I662-C697 VanDerWaalsContact CD1-SG 3.51Å
663	I	89.7	Confident	86.9	Confident	30 Å²	30	23 Å²	23	15%	0.154	12%	0.119	C	C	.	.	H	α-helix	trans	-64.1	-38.6	176.2	-71	171.5	0	0	0	110.7	L496 L500 T605 A609 A659 A660 L665 I666 W667	L496-I663 HydrophobicContact CD1-CD1 3.56Å; L496-I663 HydrophobicContact CD2-CD1 4.3Å; L500-I663 HydrophobicContact CD2-CG2 3.92Å; T605-I663 HydrophobicContact CG2-CB 4.25Å; T605-I663 HydrophobicContact CG2-CD1 3.87Å; T605-I663 HydrophobicContact CG2-CG2 4.11Å; A609-I663 HydrophobicContact CB-CG2 4.28Å; A659-I663 WeakPolarHBondContact O-CB 3.21Å; A659-I663 VanDerWaalsContact O-CG1 3.3Å; A659-I663 WeakPolarHBondContact O-CG1 3.19Å; A659-I663 PolarHBondContact O-N 2.91Å; A660-I663 PolarHBondContact O-N 3.38Å; I663-L665 VanDerWaalsContact C-N 3.35Å; I663-L665 PolarHBondContact O-N 2.88Å; I663-I666 PolarHBondContact O-N 3.1Å; I663-W667 WeakPolarHBondContact O-CB 2.98Å; I663-W667 PolarHBondContact O-N 3.24Å
664	C	91	Very high	86.2	Confident	4 Å²	4	24 Å²	24	3%	0.027	12%	0.124	C	C	.	.	H	α-helix	trans	-57.2	-44.8	170.8	-176.4	0	0	0	0	112.4	M608 A660 P661 I662 W667 L668	M608-C664 PolarHBondContact O-SG 3.2Å; A660-C664 PolarHBondContact O-N 2.76Å; P661-C664 WeakPolarHBondContact O-CB 2.97Å; P661-C664 PolarHBondContact O-N 3.21Å; I662-C664 VanDerWaalsContact C-N 3.31Å; I662-C664 PolarHBondContact O-N 3.28Å; C664-W667 PolarHBondContact O-N 3.28Å; C664-L668 WeakPolarHBondContact O-CB 3.34Å; C664-L668 PolarHBondContact O-N 3.15Å
665	L	90.8	Very high	85.5	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-64.2	-40.7	175.9	-72.6	169.1	0	0	0	112.6	A185 L189 P661 I662 I663 W667 L668 Y669 V689 L690 T693	A185-L665 HydrophobicContact CB-CD2 3.59Å; L189-L665 HydrophobicContact CD2-CD1 4.08Å; P661-L665 WeakPolarHBondContact O-CG 3.48Å; P661-L665 PolarHBondContact O-N 3.46Å; I662-L665 WeakPolarHBondContact O-CB 3.34Å; I662-L665 PolarHBondContact O-N 3.13Å; I662-L665 VanDerWaalsContact O-N 3.16Å; I663-L665 VanDerWaalsContact C-N 3.35Å; I663-L665 PolarHBondContact O-N 2.88Å; L665-W667 VanDerWaalsContact C-N 3.33Å; L665-L668 PolarHBondContact O-N 3.17Å; L665-Y669 WeakPolarHBondContact O-CB 3.26Å; L665-Y669 PolarHBondContact O-N 3.28Å; L665-V689 HydrophobicContact CD1-CG1 4.13Å; L665-V689 HydrophobicContact CD2-CG1 4.21Å; L665-L690 HydrophobicContact CB-CD1 4.13Å; L665-T693 HydrophobicContact CD1-CG2 4.33Å
666	I	88.2	Confident	85	Confident	78 Å²	78	24.5 Å²	24.5	40%	0.4	13%	0.126	S	C	.	.	H	α-helix	trans	-60.4	-45.5	174.6	-67.2	168.8	0	0	0	110.2	I662 I663 Y669 F670 L690	I662-I666 HydrophobicContact CG2-CD1 4.22Å; I662-I666 WeakPolarHBondContact O-CG1 2.97Å; I662-I666 PolarHBondContact O-N 3.03Å; I663-I666 PolarHBondContact O-N 3.1Å; I666-Y669 PolarHBondContact O-N 2.98Å; I666-F670 WeakPolarHBondContact O-CB 3.38Å; I666-F670 PolarHBondContact O-N 3.03Å; I666-L690 HydrophobicContact CD1-CD1 4.45Å; I666-L690 HydrophobicContact CG1-CD1 3.59Å; I666-L690 HydrophobicContact CG1-CD2 3.96Å; I666-L690 HydrophobicContact CG1-CG 4.42Å
667	W	84.8	Confident	84.3	Confident	16 Å²	16	24.5 Å²	24.5	6%	0.061	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-43.6	178.1	-86.1	112.6	0	0	0	112.5	L500 F534 I613 I663 C664 L665 F670 F671	L500-W667 HydrophobicContact CD1-CZ2 4.46Å; L500-W667 HydrophobicContact CG-CZ2 4.3Å; F534-W667 AromaticContact CE1-CE3 3.47Å; F534-W667 HydrophobicContact CE1-CE3 3.47Å; F534-W667 VanDerWaalsContact CE1-CE3 3.47Å; F534-W667 AromaticContact CE1-CZ3 3.7Å; F534-W667 HydrophobicContact CE1-CZ3 3.7Å; F534-W667 AromaticContact CZ-CE3 3.49Å; F534-W667 HydrophobicContact CZ-CE3 3.49Å; F534-W667 VanDerWaalsContact CZ-CE3 3.49Å; F534-W667 AromaticContact CZ-CZ3 3.61Å; F534-W667 HydrophobicContact CZ-CZ3 3.61Å; I613-W667 HydrophobicContact CD1-CB 4.35Å; I663-W667 WeakPolarHBondContact O-CB 2.98Å; I663-W667 PolarHBondContact O-N 3.24Å; C664-W667 PolarHBondContact O-N 3.28Å; L665-W667 VanDerWaalsContact C-N 3.33Å; W667-F670 HydrophobicContact CE3-CD1 4.21Å; W667-F670 AromaticContact CZ3-CD1 3.84Å; W667-F670 HydrophobicContact CZ3-CD1 3.84Å; W667-F670 HydrophobicContact CZ3-CE1 4.29Å; W667-F670 PolarHBondContact O-N 3.39Å; W667-F671 WeakPolarHBondContact O-CB 3.23Å; W667-F671 PolarHBondContact O-N 3.14Å
668	L	86.5	Confident	83.6	Confident	5 Å²	5	29.1 Å²	29.1	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-65.5	-40.6	177.1	-174.7	64.9	0	0	0	111.9	I168 H181 T182 A185 I612 C664 L665 F671 S672 T686	I168-L668 HydrophobicContact CD1-CD1 4.18Å; H181-L668 HydrophobicContact CB-CD1 4.4Å; T182-L668 HydrophobicContact CG2-CD2 4.08Å; A185-L668 HydrophobicContact CB-CD2 3.76Å; I612-L668 HydrophobicContact CG2-CD1 4.23Å; C664-L668 WeakPolarHBondContact O-CB 3.34Å; C664-L668 PolarHBondContact O-N 3.15Å; L665-L668 PolarHBondContact O-N 3.17Å; L668-F671 PolarHBondContact O-N 3.27Å; L668-S672 WeakPolarHBondContact O-CB 3.47Å; L668-S672 PolarHBondContact O-N 3.47Å; L668-T686 HydrophobicContact CD2-CG2 4.32Å
669	Y	86.6	Confident	83	Confident	47 Å²	47	34.2 Å²	34.2	18%	0.184	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-48.9	174.1	169.5	-106	0	0	0	111	L665 I666 F671 S672 V673 F678 L687 L690	L665-Y669 WeakPolarHBondContact O-CB 3.26Å; L665-Y669 PolarHBondContact O-N 3.28Å; I666-Y669 PolarHBondContact O-N 2.98Å; Y669-F671 VanDerWaalsContact C-N 3.3Å; Y669-F671 PolarHBondContact O-N 3.47Å; Y669-S672 PolarHBondContact O-N 3.12Å; Y669-S672 VanDerWaalsContact O-N 3.15Å; Y669-V673 HydrophobicContact CD1-CG2 4.48Å; Y669-V673 HydrophobicContact CD2-CG2 3.92Å; Y669-V673 HydrophobicContact CE1-CG2 4.04Å; Y669-V673 HydrophobicContact CE2-CG2 3.4Å; Y669-V673 VanDerWaalsContact CE2-CG2 3.4Å; Y669-V673 HydrophobicContact CG-CG2 4.43Å; Y669-V673 VanDerWaalsContact CZ-CG2 3.48Å; Y669-V673 WeakPolarHBondContact O-CG2 3.43Å; Y669-V673 PolarHBondContact O-N 3.09Å; Y669-F678 VanDerWaalsContact OH-CE2 3.29Å; Y669-F678 WeakPolarHBondContact OH-CE2 3.29Å; Y669-L687 HydrophobicContact CD2-CB 4.07Å; Y669-L687 HydrophobicContact CE1-CD1 4.44Å; Y669-L687 HydrophobicContact CE2-CB 3.73Å; Y669-L687 HydrophobicContact CE2-CD1 3.96Å; Y669-L687 HydrophobicContact CE2-CD2 4.46Å; Y669-L687 HydrophobicContact CE2-CG 4.26Å; Y669-L690 HydrophobicContact CD1-CD2 4.44Å
670	F	81.8	Confident	82.6	Confident	51 Å²	51	35.1 Å²	35.1	22%	0.224	18%	0.178	C	C	.	.	H	α-helix	trans	-58.2	-44.2	177.6	-174.9	-124.7	0	0	0	111.2	L505 F530 V533 F534 I666 W667 V673 L674	L505-F670 HydrophobicContact CD2-CE1 4.04Å; L505-F670 HydrophobicContact CD2-CZ 4.16Å; F530-F670 AromaticContact CD1-CZ 3.94Å; F530-F670 HydrophobicContact CD1-CZ 3.94Å; F530-F670 HydrophobicContact CG-CZ 4.41Å; V533-F670 HydrophobicContact CG1-CE1 4Å; F534-F670 HydrophobicContact CD2-CD1 4.49Å; F534-F670 HydrophobicContact CD2-CE1 4.45Å; F534-F670 AromaticContact CE2-CD1 3.23Å; F534-F670 HydrophobicContact CE2-CD1 3.23Å; F534-F670 AromaticContact CE2-CE1 3.5Å; F534-F670 HydrophobicContact CE2-CE1 3.5Å; F534-F670 HydrophobicContact CE2-CG 4.05Å; F534-F670 HydrophobicContact CZ-CB 4.3Å; F534-F670 AromaticContact CZ-CD1 3.32Å; F534-F670 HydrophobicContact CZ-CD1 3.32Å; F534-F670 AromaticContact CZ-CE1 3.96Å; F534-F670 HydrophobicContact CZ-CE1 3.96Å; F534-F670 HydrophobicContact CZ-CG 4.16Å; I666-F670 WeakPolarHBondContact O-CB 3.38Å; I666-F670 PolarHBondContact O-N 3.03Å; W667-F670 HydrophobicContact CE3-CD1 4.21Å; W667-F670 AromaticContact CZ3-CD1 3.84Å; W667-F670 HydrophobicContact CZ3-CD1 3.84Å; W667-F670 HydrophobicContact CZ3-CE1 4.29Å; W667-F670 PolarHBondContact O-N 3.39Å; F670-V673 PolarHBondContact O-N 3Å; F670-L674 HydrophobicContact CD1-CD1 4.3Å; F670-L674 HydrophobicContact CD2-CD1 4.43Å; F670-L674 HydrophobicContact CD2-CG 4.44Å; F670-L674 HydrophobicContact CE1-CD1 3.79Å; F670-L674 HydrophobicContact CE2-CD1 3.99Å; F670-L674 HydrophobicContact CE2-CD2 4.28Å; F670-L674 HydrophobicContact CE2-CG 4.15Å; F670-L674 HydrophobicContact CZ-CD1 3.63Å; F670-L674 HydrophobicContact CZ-CG 4.29Å; F670-L674 WeakPolarHBondContact O-CG 3.25Å; F670-L674 PolarHBondContact O-N 3.12Å; F670-L674 VanDerWaalsContact O-N 3.16Å
671	F	78.7	Confident	82.1	Confident	12 Å²	12	38 Å²	38	5%	0.053	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-47.8	173.7	-179.4	-95.5	0	0	0	112.6	I168 F534 W667 L668 Y669 V673 L674 R675	I168-F671 HydrophobicContact CB-CE1 4.32Å; I168-F671 HydrophobicContact CB-CZ 4.35Å; I168-F671 HydrophobicContact CD1-CD1 3.98Å; I168-F671 HydrophobicContact CD1-CE1 3.66Å; I168-F671 HydrophobicContact CD1-CZ 4.49Å; I168-F671 HydrophobicContact CG1-CE1 3.77Å; I168-F671 HydrophobicContact CG1-CZ 4.21Å; I168-F671 HydrophobicContact CG2-CD1 4.27Å; I168-F671 HydrophobicContact CG2-CD2 4.45Å; I168-F671 HydrophobicContact CG2-CE1 3.68Å; I168-F671 HydrophobicContact CG2-CE2 3.88Å; I168-F671 HydrophobicContact CG2-CZ 3.46Å; I168-F671 VanDerWaalsContact CG2-CZ 3.46Å; F534-F671 HydrophobicContact CB-CD2 3.81Å; F534-F671 HydrophobicContact CB-CE2 3.97Å; F534-F671 AromaticContact CD1-CD2 3.82Å; F534-F671 HydrophobicContact CD1-CD2 3.82Å; F534-F671 AromaticContact CD2-CD2 3.96Å; F534-F671 HydrophobicContact CD2-CD2 3.96Å; F534-F671 HydrophobicContact CE1-CB 4.12Å; F534-F671 HydrophobicContact CE1-CD2 4.22Å; F534-F671 HydrophobicContact CE2-CB 4.09Å; F534-F671 HydrophobicContact CE2-CD2 4.34Å; F534-F671 AromaticContact CG-CD2 3.63Å; F534-F671 HydrophobicContact CG-CD2 3.63Å; F534-F671 HydrophobicContact CG-CE2 4.31Å; F534-F671 HydrophobicContact CZ-CB 3.81Å; F534-F671 HydrophobicContact CZ-CD2 4.42Å; W667-F671 WeakPolarHBondContact O-CB 3.23Å; W667-F671 PolarHBondContact O-N 3.14Å; L668-F671 PolarHBondContact O-N 3.27Å; Y669-F671 VanDerWaalsContact C-N 3.3Å; Y669-F671 PolarHBondContact O-N 3.47Å; F671-V673 PolarHBondContact O-N 2.95Å; F671-L674 PolarHBondContact O-N 3.37Å; F671-R675 WeakPolarHBondContact O-CB 3.44Å; F671-R675 PolarHBondContact O-N 2.99Å; F671-R675 VanDerWaalsContact O-N 3.12Å
672	S	80.3	Confident	81.6	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-38.2	-179	-171.1	0	0	0	0	112.5	L668 Y669 A676 T682 S683	L668-S672 WeakPolarHBondContact O-CB 3.47Å; L668-S672 PolarHBondContact O-N 3.47Å; Y669-S672 PolarHBondContact O-N 3.12Å; Y669-S672 VanDerWaalsContact O-N 3.15Å; S672-A676 WeakPolarHBondContact O-CB 3.07Å; S672-A676 PolarHBondContact O-N 3.46Å; S672-T682 PolarHBondContact OG-OG1 3.41Å; S672-S683 WeakPolarHBondContact OG-CB 3.46Å
673	V	79.7	Confident	81.2	Confident	35 Å²	35	37 Å²	37	21%	0.212	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-43.6	179.7	169.8	0	0	0	0	111.5	Y669 F670 F671 G677 F678	Y669-V673 HydrophobicContact CD1-CG2 4.48Å; Y669-V673 HydrophobicContact CD2-CG2 3.92Å; Y669-V673 HydrophobicContact CE1-CG2 4.04Å; Y669-V673 HydrophobicContact CE2-CG2 3.4Å; Y669-V673 VanDerWaalsContact CE2-CG2 3.4Å; Y669-V673 HydrophobicContact CG-CG2 4.43Å; Y669-V673 VanDerWaalsContact CZ-CG2 3.48Å; Y669-V673 WeakPolarHBondContact O-CG2 3.43Å; Y669-V673 PolarHBondContact O-N 3.09Å; F670-V673 PolarHBondContact O-N 3Å; F671-V673 PolarHBondContact O-N 2.95Å; V673-G677 WeakPolarHBondContact O-CA 3.41Å; V673-G677 PolarHBondContact O-N 3.33Å; V673-G677 VanDerWaalsContact O-N 3.09Å; V673-F678 HydrophobicContact CG2-CD2 4.49Å
674	L	74.1	Confident	81	Confident	21 Å²	21	38.7 Å²	38.7	11%	0.11	21%	0.206	C	C	.	.	H	α-helix	trans	-66.3	-41.3	179.6	-68.7	178.4	0	0	0	111.9	F530 F534 F670 F671	F530-L674 HydrophobicContact CB-CD1 3.77Å; F530-L674 HydrophobicContact CB-CD2 3.5Å; F530-L674 VanDerWaalsContact CB-CD2 3.5Å; F530-L674 HydrophobicContact CB-CG 4.29Å; F530-L674 HydrophobicContact CG-CD2 4.36Å; F530-L674 WeakPolarHBondContact O-CD1 3.23Å; F534-L674 HydrophobicContact CD2-CD1 3.68Å; F534-L674 HydrophobicContact CE2-CD1 3.58Å; F670-L674 HydrophobicContact CD1-CD1 4.3Å; F670-L674 HydrophobicContact CD2-CD1 4.43Å; F670-L674 HydrophobicContact CD2-CG 4.44Å; F670-L674 HydrophobicContact CE1-CD1 3.79Å; F670-L674 HydrophobicContact CE2-CD1 3.99Å; F670-L674 HydrophobicContact CE2-CD2 4.28Å; F670-L674 HydrophobicContact CE2-CG 4.15Å; F670-L674 HydrophobicContact CZ-CD1 3.63Å; F670-L674 HydrophobicContact CZ-CG 4.29Å; F670-L674 WeakPolarHBondContact O-CG 3.25Å; F670-L674 PolarHBondContact O-N 3.12Å; F670-L674 VanDerWaalsContact O-N 3.16Å; F671-L674 PolarHBondContact O-N 3.37Å
675	R	72.6	Confident	80.8	Confident	60 Å²	60	42.1 Å²	42.1	23%	0.226	22%	0.22	C	C	.	.	H	α-helix	trans	-83.1	-47	-173	-167.8	-177.5	-171.9	153.6	18.4	114.3	I168 G169 L171 I173 F671	I168-R675 PolarHBondContact O-NH1 2.95Å; G169-R675 VanDerWaalsContact CA-NH1 3.33Å; G169-R675 PolarHBondContact O-NH1 3.09Å; G169-R675 PolarHBondContact O-NH2 2.92Å; L171-R675 PolarHBondContact O-NH1 2.87Å; L171-R675 PolarHBondContact O-NH2 3.22Å; I173-R675 HydrophobicContact CD1-CG 4.27Å; I173-R675 VanDerWaalsContact CD1-O 3.32Å; I173-R675 WeakPolarHBondContact CD1-O 3.47Å; I173-R675 HydrophobicContact CG1-CG 4.06Å; F671-R675 WeakPolarHBondContact O-CB 3.44Å; F671-R675 PolarHBondContact O-N 2.99Å; F671-R675 VanDerWaalsContact O-N 3.12Å
676	A	72.6	Confident	80.4	Confident	27 Å²	27	42.1 Å²	42.1	22%	0.223	22%	0.22	C	C	.	.	H	α-helix	trans	-103	-20.4	-173.4	0	0	0	0	0	112.8	I173 S672 T680	I173-A676 HydrophobicContact CG2-CB 4.03Å; S672-A676 WeakPolarHBondContact O-CB 3.07Å; S672-A676 PolarHBondContact O-N 3.46Å; A676-T680 HydrophobicContact CB-CG2 4.07Å; A676-T680 PolarHBondContact O-OG1 3.29Å
677	G	74.6	Confident	80.3	Confident	22 Å²	22	40.5 Å²	40.5	23%	0.227	21%	0.212	C	C	.	.			trans	100.1	165.6	-173.4	0	0	0	0	0	113.1	V673 Q679 T680 S683	V673-G677 WeakPolarHBondContact O-CA 3.41Å; V673-G677 PolarHBondContact O-N 3.33Å; V673-G677 VanDerWaalsContact O-N 3.09Å; G677-Q679 PolarHBondContact O-N 3.13Å; G677-T680 PolarHBondContact O-OG1 2.97Å; G677-S683 PolarHBondContact O-OG 3.31Å
678	F	76	Confident	80.5	Confident	97 Å²	97	44.4 Å²	44.4	43%	0.425	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-29.9	-177.7	-178.6	-95.3	0	0	0	113.5	Y669 V673 S683 L684 L687	Y669-F678 VanDerWaalsContact OH-CE2 3.29Å; Y669-F678 WeakPolarHBondContact OH-CE2 3.29Å; V673-F678 HydrophobicContact CG2-CD2 4.49Å; F678-S683 PolarHBondContact O-OG 3.31Å; F678-L684 HydrophobicContact CE1-CD2 4.47Å; F678-L687 HydrophobicContact CE2-CD2 4.1Å; F678-L687 HydrophobicContact CZ-CD2 4.11Å
679	Q	75.4	Confident	80.5	Confident	150 Å²	150	45.2 Å²	45.2	70%	0.701	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	3.3	-172.6	-64.8	-65.2	-11.5	0	0	114.2	G677	G677-Q679 PolarHBondContact O-N 3.13Å
680	T	78.2	Confident	80.6	Confident	47 Å²	47	43.9 Å²	43.9	29%	0.288	24%	0.239	S	C	.	.	S	Bend	trans	-75.8	144.3	179.3	-45.2	0	0	0	0	110.7	A676 G677 T682 S683 L684	A676-T680 HydrophobicContact CB-CG2 4.07Å; A676-T680 PolarHBondContact O-OG1 3.29Å; G677-T680 PolarHBondContact O-OG1 2.97Å; T680-T682 PolarHBondContact O-N 3.5Å; T680-S683 PolarHBondContact N-OG 3.2Å; T680-S683 PolarHBondContact O-N 2.91Å; T680-S683 VanDerWaalsContact O-N 3.16Å; T680-S683 PolarHBondContact O-OG 2.95Å; T680-L684 PolarHBondContact O-N 2.8Å
681	A	82.5	Confident	80.8	Confident	60 Å²	60	44.9 Å²	44.9	50%	0.496	25%	0.251	S	S	.	.	H	α-helix	trans	-57.3	-35	-177.9	0	0	0	0	0	113.5	W179 F685	W179-A681 HydrophobicContact CZ2-CB 3.92Å; A681-F685 VanDerWaalsContact O-CB 3.29Å; A681-F685 WeakPolarHBondContact O-CB 3.49Å; A681-F685 PolarHBondContact O-N 3.06Å
682	T	79.6	Confident	81.2	Confident	7 Å²	7	50.4 Å²	50.4	4%	0.043	28%	0.275	C	S	.	.	H	α-helix	trans	-68.1	-43	177.4	52.9	0	0	0	0	112.7	L178 W179 S672 T680 F685 T686	L178-T682 HydrophobicContact CB-CG2 4.45Å; L178-T682 HydrophobicContact CD2-CG2 4.26Å; L178-T682 HydrophobicContact CG-CG2 4.5Å; W179-T682 HydrophobicContact CD2-CG2 3.98Å; W179-T682 HydrophobicContact CG-CG2 4.03Å; W179-T682 HydrophobicContact CZ2-CG2 4.28Å; S672-T682 PolarHBondContact OG-OG1 3.41Å; T680-T682 PolarHBondContact O-N 3.5Å; T682-F685 PolarHBondContact O-N 2.95Å; T682-T686 WeakPolarHBondContact O-CG2 3.27Å; T682-T686 PolarHBondContact O-N 3.07Å; T682-T686 PolarHBondContact O-OG1 2.67Å
683	S	82	Confident	81.3	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.007	28%	0.278	C	S	.	.	H	α-helix	trans	-68.5	-42.4	178.3	44.7	0	0	0	0	110.9	S672 G677 F678 T680 F685 T686 L687	S672-S683 WeakPolarHBondContact OG-CB 3.46Å; G677-S683 PolarHBondContact O-OG 3.31Å; F678-S683 PolarHBondContact O-OG 3.31Å; T680-S683 PolarHBondContact N-OG 3.2Å; T680-S683 PolarHBondContact O-N 2.91Å; T680-S683 VanDerWaalsContact O-N 3.16Å; T680-S683 PolarHBondContact O-OG 2.95Å; S683-F685 PolarHBondContact O-N 3.37Å; S683-T686 WeakPolarHBondContact CA-OG1 3.32Å; S683-T686 PolarHBondContact O-N 3.22Å; S683-T686 PolarHBondContact O-OG1 3.34Å; S683-L687 WeakPolarHBondContact O-CB 3.18Å; S683-L687 PolarHBondContact O-N 3.39Å
684	L	85.5	Confident	81.5	Confident	66 Å²	66	51.9 Å²	51.9	35%	0.346	28%	0.284	S	S	.	.	H	α-helix	trans	-60.9	-43.9	173.4	-69.2	173.8	0	0	0	112.4	F678 T680 L687 V688	F678-L684 HydrophobicContact CE1-CD2 4.47Å; T680-L684 PolarHBondContact O-N 2.8Å; L684-L687 WeakPolarHBondContact O-CB 3.26Å; L684-L687 PolarHBondContact O-N 3.22Å; L684-V688 WeakPolarHBondContact O-CG2 3.32Å; L684-V688 PolarHBondContact O-N 3.49Å
685	F	85.8	Confident	81.9	Confident	77 Å²	77	57.6 Å²	57.6	34%	0.338	31%	0.308	S	S	.	.	H	α-helix	trans	-62.8	-47.2	176.7	179.5	-99.9	0	0	0	112	W179 A681 T682 S683 L687 V688 V689	W179-F685 HydrophobicContact CH2-CB 3.87Å; W179-F685 HydrophobicContact CH2-CD2 4.4Å; W179-F685 HydrophobicContact CH2-CG 4.03Å; W179-F685 HydrophobicContact CZ3-CB 3.96Å; W179-F685 AromaticContact CZ3-CD1 3.81Å; W179-F685 HydrophobicContact CZ3-CD1 3.81Å; W179-F685 HydrophobicContact CZ3-CD2 4.1Å; W179-F685 HydrophobicContact CZ3-CE1 4.32Å; W179-F685 AromaticContact CZ3-CG 3.68Å; W179-F685 HydrophobicContact CZ3-CG 3.68Å; A681-F685 VanDerWaalsContact O-CB 3.29Å; A681-F685 WeakPolarHBondContact O-CB 3.49Å; A681-F685 PolarHBondContact O-N 3.06Å; T682-F685 PolarHBondContact O-N 2.95Å; S683-F685 PolarHBondContact O-N 3.37Å; F685-L687 VanDerWaalsContact C-N 3.26Å; F685-L687 PolarHBondContact O-N 3.31Å; F685-V688 PolarHBondContact O-N 3.44Å; F685-V689 HydrophobicContact CD1-CG2 4.24Å; F685-V689 HydrophobicContact CE1-CG2 3.81Å; F685-V689 HydrophobicContact CE2-CG2 4.26Å; F685-V689 HydrophobicContact CZ-CG2 3.83Å; F685-V689 WeakPolarHBondContact O-CG2 3.23Å; F685-V689 PolarHBondContact O-N 3.37Å
686	T	83.8	Confident	82	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-35.3	176.1	54.9	0	0	0	0	112.5	T182 L668 T682 S683 L690	T182-T686 HydrophobicContact CG2-CG2 3.26Å; L668-T686 HydrophobicContact CD2-CG2 4.32Å; T682-T686 WeakPolarHBondContact O-CG2 3.27Å; T682-T686 PolarHBondContact O-N 3.07Å; T682-T686 PolarHBondContact O-OG1 2.67Å; S683-T686 WeakPolarHBondContact CA-OG1 3.32Å; S683-T686 PolarHBondContact O-N 3.22Å; S683-T686 PolarHBondContact O-OG1 3.34Å; T686-L690 WeakPolarHBondContact O-CB 3.36Å; T686-L690 PolarHBondContact O-N 3.21Å
687	L	86.4	Confident	82	Confident	44 Å²	44	58 Å²	58	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-44.5	174	-177.9	63.1	0	0	0	111.6	Y669 F678 S683 L684 F685 L690 C691	Y669-L687 HydrophobicContact CD2-CB 4.07Å; Y669-L687 HydrophobicContact CE1-CD1 4.44Å; Y669-L687 HydrophobicContact CE2-CB 3.73Å; Y669-L687 HydrophobicContact CE2-CD1 3.96Å; Y669-L687 HydrophobicContact CE2-CD2 4.46Å; Y669-L687 HydrophobicContact CE2-CG 4.26Å; F678-L687 HydrophobicContact CE2-CD2 4.1Å; F678-L687 HydrophobicContact CZ-CD2 4.11Å; S683-L687 WeakPolarHBondContact O-CB 3.18Å; S683-L687 PolarHBondContact O-N 3.39Å; L684-L687 WeakPolarHBondContact O-CB 3.26Å; L684-L687 PolarHBondContact O-N 3.22Å; F685-L687 VanDerWaalsContact C-N 3.26Å; F685-L687 PolarHBondContact O-N 3.31Å; L687-L690 PolarHBondContact O-N 2.91Å; L687-C691 VanDerWaalsContact O-CB 3.31Å; L687-C691 WeakPolarHBondContact O-CB 3.17Å; L687-C691 PolarHBondContact O-N 3.47Å; L687-C691 PolarHBondContact O-SG 2.92Å
688	V	87.9	Confident	81.7	Confident	97 Å²	97	61.2 Å²	61.2	59%	0.588	33%	0.325	S	S	*	.	H	α-helix	trans	-61.3	-46.2	176.8	170.7	0	0	0	0	110.7	L684 F685 C691 F692	L684-V688 WeakPolarHBondContact O-CG2 3.32Å; L684-V688 PolarHBondContact O-N 3.49Å; F685-V688 PolarHBondContact O-N 3.44Å; V688-C691 PolarHBondContact O-N 3.2Å; V688-F692 VanDerWaalsContact O-CB 3.27Å; V688-F692 WeakPolarHBondContact O-CB 3.37Å; V688-F692 PolarHBondContact O-N 3.45Å
689	V	86.6	Confident	81.1	Confident	22 Å²	22	57.1 Å²	57.1	13%	0.133	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-44.8	175.6	172.3	0	0	0	0	110.8	V186 L665 F685 F692 T693	V186-V689 HydrophobicContact CG2-CG1 3.84Å; V186-V689 HydrophobicContact CG2-CG2 4.18Å; L665-V689 HydrophobicContact CD1-CG1 4.13Å; L665-V689 HydrophobicContact CD2-CG1 4.21Å; F685-V689 HydrophobicContact CD1-CG2 4.24Å; F685-V689 HydrophobicContact CE1-CG2 3.81Å; F685-V689 HydrophobicContact CE2-CG2 4.26Å; F685-V689 HydrophobicContact CZ-CG2 3.83Å; F685-V689 WeakPolarHBondContact O-CG2 3.23Å; F685-V689 PolarHBondContact O-N 3.37Å; V689-F692 PolarHBondContact O-N 3.36Å; V689-T693 HydrophobicContact CG1-CG2 4.29Å; V689-T693 WeakPolarHBondContact O-CB 3.11Å; V689-T693 WeakPolarHBondContact O-CG2 3.32Å; V689-T693 PolarHBondContact O-N 3.1Å; V689-T693 PolarHBondContact O-OG1 2.97Å
690	L	87.6	Confident	80.5	Confident	19 Å²	19	53.3 Å²	53.3	10%	0.099	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-47.5	178.2	179.9	63.4	0	0	0	111.5	I662 L665 I666 Y669 T686 L687 F692 T693 V694	I662-L690 HydrophobicContact CG2-CD1 4.36Å; L665-L690 HydrophobicContact CB-CD1 4.13Å; I666-L690 HydrophobicContact CD1-CD1 4.45Å; I666-L690 HydrophobicContact CG1-CD1 3.59Å; I666-L690 HydrophobicContact CG1-CD2 3.96Å; I666-L690 HydrophobicContact CG1-CG 4.42Å; Y669-L690 HydrophobicContact CD1-CD2 4.44Å; T686-L690 WeakPolarHBondContact O-CB 3.36Å; T686-L690 PolarHBondContact O-N 3.21Å; L687-L690 PolarHBondContact O-N 2.91Å; L690-F692 VanDerWaalsContact C-N 3.34Å; L690-F692 PolarHBondContact O-N 3.05Å; L690-T693 WeakPolarHBondContact CA-OG1 3.44Å; L690-T693 PolarHBondContact O-N 2.98Å; L690-T693 PolarHBondContact O-OG1 2.83Å; L690-V694 HydrophobicContact CD1-CG2 4.03Å; L690-V694 HydrophobicContact CG-CG2 4.41Å; L690-V694 WeakPolarHBondContact O-CB 3.15Å; L690-V694 VanDerWaalsContact O-CG2 3.24Å; L690-V694 WeakPolarHBondContact O-CG2 3.27Å; L690-V694 PolarHBondContact O-N 3.47Å
691	C	87.3	Confident	79.6	Confident	72 Å²	72	56.8 Å²	56.8	49%	0.486	31%	0.313	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176.7	-73.3	0	0	0	0	111.6	L687 V688 F695	L687-C691 VanDerWaalsContact O-CB 3.31Å; L687-C691 WeakPolarHBondContact O-CB 3.17Å; L687-C691 PolarHBondContact O-N 3.47Å; L687-C691 PolarHBondContact O-SG 2.92Å; V688-C691 PolarHBondContact O-N 3.2Å; C691-F695 WeakPolarHBondContact O-CB 3.18Å; C691-F695 PolarHBondContact O-N 3.17Å
692	F	86.7	Confident	78.2	Confident	129 Å²	129	58 Å²	58	57%	0.566	32%	0.316	S	S	*	.	H	α-helix	trans	-64.7	-44.2	177.2	-177.2	-107.9	0	0	0	111.9	V688 V689 L690 F695 I696	V688-F692 VanDerWaalsContact O-CB 3.27Å; V688-F692 WeakPolarHBondContact O-CB 3.37Å; V688-F692 PolarHBondContact O-N 3.45Å; V689-F692 PolarHBondContact O-N 3.36Å; L690-F692 VanDerWaalsContact C-N 3.34Å; L690-F692 PolarHBondContact O-N 3.05Å; F692-F695 PolarHBondContact O-N 3.23Å; F692-I696 HydrophobicContact CD1-CD1 3.66Å; F692-I696 HydrophobicContact CD2-CD1 4.47Å; F692-I696 HydrophobicContact CE1-CD1 3.2Å; F692-I696 HydrophobicContact CE1-CG1 4.33Å; F692-I696 HydrophobicContact CE2-CD1 4.08Å; F692-I696 HydrophobicContact CG-CD1 4.29Å; F692-I696 HydrophobicContact CZ-CD1 3.45Å; F692-I696 VanDerWaalsContact CZ-CD1 3.45Å; F692-I696 HydrophobicContact CZ-CG1 4.32Å; F692-I696 WeakPolarHBondContact O-CB 3.49Å; F692-I696 VanDerWaalsContact O-CG1 3.27Å; F692-I696 WeakPolarHBondContact O-CG1 3.43Å; F692-I696 PolarHBondContact O-N 2.72Å
693	T	83.5	Confident	76.7	Confident	13 Å²	13	65 Å²	65	8%	0.08	35%	0.346	C	S	.	.	H	α-helix	trans	-67.8	-42.2	178.5	53.4	0	0	0	0	112	L189 L665 V689 L690 I696 C697	L189-T693 HydrophobicContact CD2-CG2 3.34Å; L665-T693 HydrophobicContact CD1-CG2 4.33Å; V689-T693 HydrophobicContact CG1-CG2 4.29Å; V689-T693 WeakPolarHBondContact O-CB 3.11Å; V689-T693 WeakPolarHBondContact O-CG2 3.32Å; V689-T693 PolarHBondContact O-N 3.1Å; V689-T693 PolarHBondContact O-OG1 2.97Å; L690-T693 WeakPolarHBondContact CA-OG1 3.44Å; L690-T693 PolarHBondContact O-N 2.98Å; L690-T693 PolarHBondContact O-OG1 2.83Å; T693-I696 PolarHBondContact O-N 3.5Å; T693-C697 WeakPolarHBondContact O-CB 3.33Å; T693-C697 PolarHBondContact O-N 3.15Å; T693-C697 PolarHBondContact O-SG 3.06Å; T693-C697 VanDerWaalsContact O-SG 3.35Å
694	V	82.8	Confident	75.2	Confident	55 Å²	55	66.2 Å²	66.2	33%	0.333	36%	0.36	S	S	.	.	H	α-helix	trans	-64.7	-41.8	173.3	171.6	0	0	0	0	111	I662 L690 I696 C697 L698	I662-V694 HydrophobicContact CG2-CG2 4.44Å; L690-V694 HydrophobicContact CD1-CG2 4.03Å; L690-V694 HydrophobicContact CG-CG2 4.41Å; L690-V694 WeakPolarHBondContact O-CB 3.15Å; L690-V694 VanDerWaalsContact O-CG2 3.24Å; L690-V694 WeakPolarHBondContact O-CG2 3.27Å; L690-V694 PolarHBondContact O-N 3.47Å; V694-I696 VanDerWaalsContact C-N 3.35Å; V694-I696 PolarHBondContact O-N 3.35Å; V694-C697 CarbonylContact O-C 3.58Å; V694-C697 PolarHBondContact O-N 3.08Å; V694-L698 HydrophobicContact CG1-CD1 3.68Å; V694-L698 HydrophobicContact CG1-CG 4.14Å; V694-L698 WeakPolarHBondContact O-CB 3.44Å; V694-L698 VanDerWaalsContact O-CG 3.31Å; V694-L698 WeakPolarHBondContact O-CG 3.32Å; V694-L698 PolarHBondContact O-N 2.9Å
695	F	82.3	Confident	73.1	Confident	142 Å²	142	69.6 Å²	69.6	62%	0.623	38%	0.377	S	S	*	.	H	α-helix	trans	-62.9	-41.4	175.7	179.9	-98	0	0	0	111.7	C691 F692 L698 G699	C691-F695 WeakPolarHBondContact O-CB 3.18Å; C691-F695 PolarHBondContact O-N 3.17Å; F692-F695 PolarHBondContact O-N 3.23Å; F695-L698 PolarHBondContact O-N 2.85Å; F695-G699 WeakPolarHBondContact O-CA 3.4Å; F695-G699 PolarHBondContact O-N 3.39Å
696	I	76.1	Confident	71.2	Confident	50 Å²	50	70.7 Å²	70.7	26%	0.256	38%	0.382	S	S	.	.	H	α-helix	trans	-61.1	-48	172.4	-77.1	177.1	0	0	0	110.3	F692 T693 V694 G699 F700	F692-I696 HydrophobicContact CD1-CD1 3.66Å; F692-I696 HydrophobicContact CD2-CD1 4.47Å; F692-I696 HydrophobicContact CE1-CD1 3.2Å; F692-I696 HydrophobicContact CE1-CG1 4.33Å; F692-I696 HydrophobicContact CE2-CD1 4.08Å; F692-I696 HydrophobicContact CG-CD1 4.29Å; F692-I696 HydrophobicContact CZ-CD1 3.45Å; F692-I696 VanDerWaalsContact CZ-CD1 3.45Å; F692-I696 HydrophobicContact CZ-CG1 4.32Å; F692-I696 WeakPolarHBondContact O-CB 3.49Å; F692-I696 VanDerWaalsContact O-CG1 3.27Å; F692-I696 WeakPolarHBondContact O-CG1 3.43Å; F692-I696 PolarHBondContact O-N 2.72Å; T693-I696 PolarHBondContact O-N 3.5Å; V694-I696 VanDerWaalsContact C-N 3.35Å; V694-I696 PolarHBondContact O-N 3.35Å; I696-G699 PolarHBondContact O-N 3.33Å; I696-F700 HydrophobicContact CG2-CD2 3.52Å; I696-F700 HydrophobicContact CG2-CE2 3.12Å; I696-F700 HydrophobicContact CG2-CZ 4.09Å; I696-F700 WeakPolarHBondContact O-CB 3.08Å; I696-F700 WeakPolarHBondContact O-CD2 3.45Å; I696-F700 WeakPolarHBondContact O-CG 3.49Å; I696-F700 PolarHBondContact O-N 3.27Å
697	C	71.4	Confident	69.2	Low	45 Å²	45	77.6 Å²	77.6	30%	0.304	41%	0.412	S	S	.	.	H	α-helix	trans	-62.9	-41.8	178.2	-75.9	0	0	0	0	113	I662 T693 V694 F700 T701	I662-C697 VanDerWaalsContact CD1-SG 3.51Å; T693-C697 WeakPolarHBondContact O-CB 3.33Å; T693-C697 PolarHBondContact O-N 3.15Å; T693-C697 PolarHBondContact O-SG 3.06Å; T693-C697 VanDerWaalsContact O-SG 3.35Å; V694-C697 CarbonylContact O-C 3.58Å; V694-C697 PolarHBondContact O-N 3.08Å; C697-F700 PolarHBondContact O-N 3.46Å; C697-T701 WeakPolarHBondContact O-CB 2.9Å; C697-T701 PolarHBondContact O-N 2.99Å; C697-T701 PolarHBondContact O-OG1 2.91Å
698	L	69.7	Low	67	Low	90 Å²	90	84.9 Å²	84.9	47%	0.471	44%	0.438	S	S	.	.	H	α-helix	trans	-70.3	-38.5	175.2	-72.5	172.1	0	0	0	111.3	V694 F695 F700 T701 C702	V694-L698 HydrophobicContact CG1-CD1 3.68Å; V694-L698 HydrophobicContact CG1-CG 4.14Å; V694-L698 WeakPolarHBondContact O-CB 3.44Å; V694-L698 VanDerWaalsContact O-CG 3.31Å; V694-L698 WeakPolarHBondContact O-CG 3.32Å; V694-L698 PolarHBondContact O-N 2.9Å; F695-L698 PolarHBondContact O-N 2.85Å; L698-F700 VanDerWaalsContact C-N 3.26Å; L698-F700 PolarHBondContact O-N 2.96Å; L698-T701 PolarHBondContact O-N 3.38Å; L698-C702 WeakPolarHBondContact O-CA 3.25Å; L698-C702 VanDerWaalsContact O-CB 3.24Å; L698-C702 WeakPolarHBondContact O-CB 3.03Å; L698-C702 PolarHBondContact O-N 2.86Å
699	G	61.8	Low	64.7	Low	10 Å²	10	85 Å²	85	10%	0.103	44%	0.435	C	S	.	.	I	π-helix	trans	-61.2	-36.8	172.3	0	0	0	0	0	112	F695 I696 F703 G704	F695-G699 WeakPolarHBondContact O-CA 3.4Å; F695-G699 PolarHBondContact O-N 3.39Å; I696-G699 PolarHBondContact O-N 3.33Å; G699-F703 PolarHBondContact O-N 3.27Å; G699-G704 PolarHBondContact O-N 3.19Å
700	F	62.9	Low	62.5	Low	71 Å²	71	85 Å²	85	31%	0.311	44%	0.436	S	S	.	.	I	π-helix	trans	-71.1	-41.9	172.3	-74.3	-52.7	0	0	0	113.1	I696 C697 L698 F706	I696-F700 HydrophobicContact CG2-CD2 3.52Å; I696-F700 HydrophobicContact CG2-CE2 3.12Å; I696-F700 HydrophobicContact CG2-CZ 4.09Å; I696-F700 WeakPolarHBondContact O-CB 3.08Å; I696-F700 WeakPolarHBondContact O-CD2 3.45Å; I696-F700 WeakPolarHBondContact O-CG 3.49Å; I696-F700 PolarHBondContact O-N 3.27Å; C697-F700 PolarHBondContact O-N 3.46Å; L698-F700 VanDerWaalsContact C-N 3.26Å; L698-F700 PolarHBondContact O-N 2.96Å; F700-F706 HydrophobicContact CD1-CB 4.11Å; F700-F706 HydrophobicContact CE1-CB 3.5Å; F700-F706 HydrophobicContact CZ-CB 4.23Å
701	T	59	Low	60.3	Low	119 Å²	119	85.4 Å²	85.4	73%	0.73	44%	0.439	S	S	*	.	I	π-helix	trans	-83.3	-41	-172.6	-50.7	0	0	0	0	113.1	C697 L698	C697-T701 WeakPolarHBondContact O-CB 2.9Å; C697-T701 PolarHBondContact O-N 2.99Å; C697-T701 PolarHBondContact O-OG1 2.91Å; L698-T701 PolarHBondContact O-N 3.38Å
702	C	52.9	Low	58.4	Low	85 Å²	85	84.5 Å²	84.5	57%	0.574	43%	0.428	S	S	*	.	I	π-helix	trans	-97.3	-35.9	-172.2	-62.7	0	0	0	0	113.8	L698	L698-C702 WeakPolarHBondContact O-CA 3.25Å; L698-C702 VanDerWaalsContact O-CB 3.24Å; L698-C702 WeakPolarHBondContact O-CB 3.03Å; L698-C702 PolarHBondContact O-N 2.86Å
703	F	48	Very low	56.3	Low	154 Å²	154	84.3 Å²	84.3	68%	0.675	43%	0.433	S	S	*	.	I	π-helix	trans	-116.8	-16.1	-168.7	-68.3	-75.7	0	0	0	115.2	G699 L705	G699-F703 PolarHBondContact O-N 3.27Å; F703-L705 HydrophobicContact CB-CB 4.47Å; F703-L705 HydrophobicContact CB-CD1 3.78Å; F703-L705 PolarHBondContact O-N 3.28Å
704	G	50.7	Low	54.3	Low	28 Å²	28	87.6 Å²	87.6	29%	0.289	44%	0.444	S	S	.	.			trans	57.4	15.8	-178.3	0	0	0	0	0	114.4	G699 F706 K707	G699-G704 PolarHBondContact O-N 3.19Å; G704-F706 VanDerWaalsContact C-N 3.28Å; G704-F706 PolarHBondContact O-N 2.88Å; G704-K707 WeakPolarHBondContact O-CB 3.46Å; G704-K707 PolarHBondContact O-N 3.26Å
705	L	42.2	Very low	52.1	Low	136 Å²	136	90.2 Å²	90.2	71%	0.712	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-30	-170.4	-119.9	93	0	0	0	112.7	F703 K707	F703-L705 HydrophobicContact CB-CB 4.47Å; F703-L705 HydrophobicContact CB-CD1 3.78Å; F703-L705 PolarHBondContact O-N 3.28Å; L705-K707 VanDerWaalsContact C-N 3.34Å
706	F	45.3	Very low	49.8	Very low	100 Å²	100	87.8 Å²	87.8	44%	0.439	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	38.6	173	-70.1	-75.4	0	0	0	112.3	F700 G704 Y708 L709 S710	F700-F706 HydrophobicContact CD1-CB 4.11Å; F700-F706 HydrophobicContact CE1-CB 3.5Å; F700-F706 HydrophobicContact CZ-CB 4.23Å; G704-F706 VanDerWaalsContact C-N 3.28Å; G704-F706 PolarHBondContact O-N 2.88Å; F706-Y708 PolarHBondContact O-N 3.41Å; F706-L709 HydrophobicContact CD1-CD1 4.11Å; F706-L709 PolarHBondContact O-N 3.33Å; F706-S710 PolarHBondContact O-N 3.21Å
707	K	41.4	Very low	47.6	Very low	149 Å²	149	93.5 Å²	93.5	65%	0.648	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-11.9	174.1	-119.6	178	178.1	173.1	0	114.3	G704 L705 Y714	G704-K707 WeakPolarHBondContact O-CB 3.46Å; G704-K707 PolarHBondContact O-N 3.26Å; L705-K707 VanDerWaalsContact C-N 3.34Å; K707-Y714 VanDerWaalsContact C-OH 3.22Å; K707-Y714 WeakPolarHBondContact O-CE1 3.23Å; K707-Y714 PolarHBondContact O-OH 3Å
708	Y	41	Very low	45.9	Very low	197 Å²	197	100.6 Å²	100.6	77%	0.773	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-15.7	176.5	-173.2	-99.9	0	0	0	115.1	F706 Y714	F706-Y708 PolarHBondContact O-N 3.41Å; Y708-Y714 VanDerWaalsContact C-CZ 3.42Å; Y708-Y714 WeakPolarHBondContact CA-OH 3.35Å; Y708-Y714 PolarHBondContact N-OH 3.34Å; Y708-Y714 VanDerWaalsContact O-CZ 3.23Å; Y708-Y714 PolarHBondContact O-OH 3.01Å
709	L	39.8	Very low	44.3	Very low	99 Å²	99	104.2 Å²	104.2	52%	0.518	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-10.6	175.8	-76.4	157.7	0	0	0	113.9	R197 F706 Y714	R197-L709 PolarHBondContact NH1-O 3.34Å; R197-L709 PolarHBondContact NH2-O 2.87Å; F706-L709 HydrophobicContact CD1-CD1 4.11Å; F706-L709 PolarHBondContact O-N 3.33Å; L709-Y714 PolarHBondContact N-OH 2.64Å
710	S	40.3	Very low	43	Very low	23 Å²	23	109.5 Å²	109.5	16%	0.161	55%	0.549	C	S	.	.			trans	-74.8	137.5	-178.6	179.5	0	0	0	0	113.6	F706 H712 Y714	F706-S710 PolarHBondContact O-N 3.21Å; S710-H712 PolarHBondContact O-N 3.33Å; S710-H712 PolarHBondContact OG-N 3.19Å; S710-Y714 PolarHBondContact N-OH 3.12Å; S710-Y714 WeakPolarHBondContact O-CE2 3.39Å; S710-Y714 PolarHBondContact O-OH 3.22Å
711	P	42.2	Very low	41.8	Very low	27 Å²	27	115.7 Å²	115.7	18%	0.175	58%	0.579	C	S	.	*	T	Hydrogen-bonded Turn	trans	-61.9	-12.6	173.8	19.5	-25.2	0	0	0	114.3	R197 T200	R197-P711 HydrophobicContact CG-CB 4.23Å; R197-P711 HydrophobicContact CG-CG 4.24Å; T200-P711 HydrophobicContact CG2-CB 4.24Å
712	H	47.4	Very low	40.7	Very low	52 Å²	52	113.9 Å²	113.9	24%	0.241	57%	0.565	C	S	.	*	T	Hydrogen-bonded Turn	trans	-92.2	-9.6	-158.6	-121.8	85.7	0	0	0	116.9	L651 D655 S710	L651-H712 WeakPolarHBondContact CB-NE2 3.4Å; D655-H712 IonicContact OD1-CE1 2.76Å; D655-H712 PolarHBondContact OD1-CE1 2.89Å; D655-H712 IonicContact OD1-ND1 3.4Å; D655-H712 PolarHBondContact OD1-ND1 3.19Å; D655-H712 IonicContact OD2-CE1 3.44Å; D655-H712 PolarHBondContact OD2-CE1 3.32Å; D655-H712 IonicContact OD2-ND1 3.25Å; D655-H712 IonicContact OD2-NE2 3.49Å; D655-H712 PolarHBondContact OD2-NE2 3.4Å; S710-H712 PolarHBondContact O-N 3.33Å; S710-H712 PolarHBondContact OG-N 3.19Å
713	N	42.7	Very low	40	Very low	125 Å²	125	114.5 Å²	114.5	67%	0.668	57%	0.566	S	S	*	*			trans	-164.8	96.7	171.9	-94.9	-36.9	0	0	0	111.5
714	Y	40.9	Very low	39.6	Very low	83 Å²	83	113 Å²	113	33%	0.325	57%	0.569	S	S	.	*			trans	-119.4	113.6	154.7	-63.9	-64	0	0	0	108.4	K707 Y708 L709 S710	K707-Y714 VanDerWaalsContact C-OH 3.22Å; K707-Y714 WeakPolarHBondContact O-CE1 3.23Å; K707-Y714 PolarHBondContact O-OH 3Å; Y708-Y714 VanDerWaalsContact C-CZ 3.42Å; Y708-Y714 WeakPolarHBondContact CA-OH 3.35Å; Y708-Y714 PolarHBondContact N-OH 3.34Å; Y708-Y714 VanDerWaalsContact O-CZ 3.23Å; Y708-Y714 PolarHBondContact O-OH 3.01Å; L709-Y714 PolarHBondContact N-OH 2.64Å; S710-Y714 PolarHBondContact N-OH 3.12Å; S710-Y714 WeakPolarHBondContact O-CE2 3.39Å; S710-Y714 PolarHBondContact O-OH 3.22Å
715	T	35.7	Very low	38.9	Very low	110 Å²	110	119.8 Å²	119.8	68%	0.675	59%	0.594	S	S	*	*			trans	45.1	109.9	148	44.6	0	0	0	0	115.6	K717	T715-K717 PolarHBondContact O-N 3.24Å
716	V	35.2	Very low	38.6	Very low	90 Å²	90	114 Å²	114	55%	0.545	57%	0.567	S	S	.	*			trans	-51.7	89.8	144.7	-179.8	0	0	0	0	106.3	K344	K344-V716 HydrophobicContact CD-CG1 4.49Å; K344-V716 VanDerWaalsContact NZ-CG1 3.26Å
717	K	29.9	Very low	38.2	Very low	170 Å²	170	112.1 Å²	112.1	74%	0.739	56%	0.563	S	S	*	*			trans	-70	142.7	164.6	-86.5	-171.9	169.8	-170.3	0	107.4	T715 E719	T715-K717 PolarHBondContact O-N 3.24Å; K717-E719 PolarHBondContact O-N 2.73Å
718	E	34.7	Very low	38	Very low	195 Å²	195	110.1 Å²	110.1	91%	0.911	56%	0.556	S	S	*	*	S	Bend	trans	-73.6	15.8	-169.7	-68.8	-179.9	146.7	0	0	114.7
719	E	36	Very low	38	Very low	165 Å²	165	107 Å²	107	77%	0.771	55%	0.549	S	S	*	.			trans	-117.9	84.2	-172.3	-71.2	175.6	166.7	0	0	110.2	K717	K717-E719 PolarHBondContact O-N 2.73Å
720	D	35.3	Very low	38.1	Very low	121 Å²	121	104.3 Å²	104.3	65%	0.647	54%	0.538	S	S	*	.			trans	-140.3	88.7	144.7	-78.7	-40.1	0	0	0	104.4	D722	D720-D722 VanDerWaalsContact C-N 3.32Å; D720-D722 PolarHBondContact O-N 3.19Å
721	Q	36.4	Very low	38.3	Very low	202 Å²	202	106.5 Å²	106.5	94%	0.944	55%	0.551	S	S	*	*			trans	-62.7	100.7	161.8	-96.1	177.1	-14.3	0	0	106.3	T723	Q721-T723 PolarHBondContact O-N 3.34Å
722	D	37.2	Very low	38.8	Very low	81 Å²	81	110.9 Å²	110.9	43%	0.433	57%	0.567	S	S	.	*			trans	-61.5	126.5	173.1	-84.3	-48.3	0	0	0	109.5	R207 D720 V727	R207-D722 IonicContact NH2-OD1 3.24Å; R207-D722 PolarHBondContact NH2-OD1 2.96Å; D720-D722 VanDerWaalsContact C-N 3.32Å; D720-D722 PolarHBondContact O-N 3.19Å; D722-V727 HydrophobicContact CB-CG2 4.42Å
723	T	38	Very low	39.6	Very low	97 Å²	97	110.4 Å²	110.4	60%	0.595	57%	0.566	S	S	*	*			trans	-61.3	139	162.4	43.3	0	0	0	0	109.8	Q721 E725 G726	Q721-T723 PolarHBondContact O-N 3.34Å; T723-E725 PolarHBondContact O-N 2.94Å; T723-G726 PolarHBondContact O-N 3.06Å; T723-G726 VanDerWaalsContact O-N 3.11Å
724	V	40	Very low	41	Very low	123 Å²	123	109.1 Å²	109.1	75%	0.745	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.7	-28.5	-170.8	-179.3	0	0	0	0	115	G726	V724-G726 PolarHBondContact O-N 2.93Å
725	E	35.6	Very low	42.9	Very low	171 Å²	171	105.3 Å²	105.3	80%	0.799	55%	0.547	S	S	*	.	H	α-helix	trans	-69	-28.8	-178.6	-67.2	-175	152.4	0	0	114.9	T723	T723-E725 PolarHBondContact O-N 2.94Å
726	G	35.4	Very low	45.1	Very low	15 Å²	15	102.6 Å²	102.6	16%	0.155	53%	0.529	C	S	.	.	H	α-helix	trans	-78.4	-21.1	-179.5	0	0	0	0	0	114.4	T723 V724 S730	T723-G726 PolarHBondContact O-N 3.06Å; T723-G726 VanDerWaalsContact O-N 3.11Å; V724-G726 PolarHBondContact O-N 2.93Å; G726-S730 PolarHBondContact O-N 2.88Å; G726-S730 PolarHBondContact O-OG 2.87Å
727	V	37.8	Very low	47.1	Very low	60 Å²	60	98.7 Å²	98.7	36%	0.364	51%	0.505	S	S	.	.	H	α-helix	trans	-72.2	-34.9	179.4	-178.8	0	0	0	0	110.6	D722 T731	D722-V727 HydrophobicContact CB-CG2 4.42Å; V727-T731 PolarHBondContact O-N 3.23Å; V727-T731 PolarHBondContact O-OG1 3.5Å
728	E	36.3	Very low	49.3	Very low	106 Å²	106	97.5 Å²	97.5	50%	0.495	50%	0.496	S	S	.	.	H	α-helix	trans	-70.8	-29.9	178.8	-76.3	-162.8	168.1	0	0	114.3	T731	E728-T731 PolarHBondContact O-OG1 3.36Å
729	E	41.8	Very low	51.3	Low	133 Å²	133	89.8 Å²	89.8	62%	0.621	46%	0.462	S	S	*	.	H	α-helix	trans	-79.5	-35.8	179.5	-132	176.5	-169.3	0	0	111.3	K732	E729-K732 PolarHBondContact O-N 3.05Å
730	S	41.7	Very low	53.2	Low	42 Å²	42	84 Å²	84	29%	0.294	44%	0.437	S	S	.	.	H	α-helix	trans	-71.8	-29.3	178.9	-56	0	0	0	0	113.4	N213 G726 K732	N213-S730 PolarHBondContact ND2-O 3.3Å; N213-S730 VanDerWaalsContact ND2-O 3.15Å; G726-S730 PolarHBondContact O-N 2.88Å; G726-S730 PolarHBondContact O-OG 2.87Å; S730-K732 VanDerWaalsContact C-N 3.32Å
731	T	44.2	Very low	54.9	Low	69 Å²	69	80.9 Å²	80.9	42%	0.423	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-13	174.6	24	0	0	0	0	113.5	V727 E728	V727-T731 PolarHBondContact O-N 3.23Å; V727-T731 PolarHBondContact O-OG1 3.5Å; E728-T731 PolarHBondContact O-OG1 3.36Å
732	K	52.9	Low	55.7	Low	118 Å²	118	77 Å²	77	51%	0.513	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	1	178.3	-78	174.8	-177	156.9	0	114.5	E729 S730 V734	E729-K732 PolarHBondContact O-N 3.05Å; S730-K732 VanDerWaalsContact C-N 3.32Å; K732-V734 PolarHBondContact O-N 2.82Å; K732-V734 VanDerWaalsContact O-N 3.16Å
733	L	63.5	Low	55.9	Low	42 Å²	42	81.5 Å²	81.5	22%	0.22	43%	0.428	C	S	.	.			trans	-76.3	102.2	179.5	-73.3	161.2	0	0	0	110.5	A211 P388 Y735	A211-L733 HydrophobicContact CB-CD1 3.84Å; P388-L733 HydrophobicContact CG-CB 4.27Å; P388-L733 HydrophobicContact CG-CD2 4.06Å; L733-Y735 HydrophobicContact CB-CE2 4.41Å
734	V	72.7	Confident	55.9	Low	98 Å²	98	77.2 Å²	77.2	59%	0.594	40%	0.403	S	S	*	.			trans	-82.8	115.8	177.7	-176.5	0	0	0	0	109.7	K732 L736	K732-V734 PolarHBondContact O-N 2.82Å; K732-V734 VanDerWaalsContact O-N 3.16Å; V734-L736 HydrophobicContact CG1-CB 3.71Å; V734-L736 PolarHBondContact O-N 2.04Å; V734-L736 VanDerWaalsContact O-N 3.15Å
735	Y	80.1	Confident	55.9	Low	3 Å²	3	74.1 Å²	74.1	1%	0.012	39%	0.385	C	S	.	.			trans	-87.4	58.5	175.9	-84.4	-91.1	0	0	0	111.6	A211 T214 T246 F334 A385 P386 P388 W393 L733	A211-Y735 HydrophobicContact CB-CE2 4.13Å; A211-Y735 WeakPolarHBondContact CB-OH 3.45Å; T214-Y735 HydrophobicContact CG2-CD2 3.79Å; T214-Y735 HydrophobicContact CG2-CE2 3.67Å; T214-Y735 HydrophobicContact CG2-CG 4.29Å; T214-Y735 WeakPolarHBondContact OG1-CE2 3.28Å; T246-Y735 VanDerWaalsContact CG2-O 3.28Å; T246-Y735 WeakPolarHBondContact CG2-O 3.35Å; F334-Y735 HydrophobicContact CB-CD1 4.26Å; F334-Y735 HydrophobicContact CB-CG 4.07Å; F334-Y735 AromaticContact CD1-CD1 3.33Å; F334-Y735 HydrophobicContact CD1-CD1 3.33Å; F334-Y735 AromaticContact CD1-CE1 3.79Å; F334-Y735 HydrophobicContact CD1-CE1 3.79Å; F334-Y735 AromaticContact CD1-CG 4Å; F334-Y735 HydrophobicContact CD1-CG 4Å; F334-Y735 HydrophobicContact CD2-CD1 4.49Å; F334-Y735 AromaticContact CE1-CD1 3.68Å; F334-Y735 HydrophobicContact CE1-CD1 3.68Å; F334-Y735 AromaticContact CE1-CE1 3.98Å; F334-Y735 HydrophobicContact CE1-CE1 3.98Å; F334-Y735 AromaticContact CG-CD1 3.78Å; F334-Y735 HydrophobicContact CG-CD1 3.78Å; F334-Y735 HydrophobicContact CG-CG 4.07Å; F334-Y735 HydrophobicContact CZ-CD1 4.41Å; A385-Y735 HydrophobicContact CB-CE1 3.83Å; P386-Y735 WeakPolarHBondContact O-CE1 3.49Å; P386-Y735 VanDerWaalsContact O-CZ 3.31Å; P386-Y735 PolarHBondContact O-OH 2.99Å; P388-Y735 HydrophobicContact CB-CD1 4.39Å; P388-Y735 HydrophobicContact CB-CE1 4.33Å; P388-Y735 HydrophobicContact CG-CD1 4.05Å; P388-Y735 HydrophobicContact CG-CD2 3.97Å; P388-Y735 HydrophobicContact CG-CE1 3.77Å; P388-Y735 HydrophobicContact CG-CE2 3.7Å; P388-Y735 HydrophobicContact CG-CG 4.15Å; W393-Y735 HydrophobicContact CH2-CD1 4.43Å; L733-Y735 HydrophobicContact CB-CE2 4.41Å
736	L	81.9	Confident	55.9	Low	53 Å²	53	67 Å²	67	28%	0.277	36%	0.355	S	S	.	.	S	Bend	trans	-134	135.5	-179.9	-169.5	69.5	0	0	0	109.9	T246 V734 R738 L740 D741	T246-L736 HydrophobicContact CG2-CD1 3.7Å; V734-L736 HydrophobicContact CG1-CB 3.71Å; V734-L736 PolarHBondContact O-N 2.04Å; V734-L736 VanDerWaalsContact O-N 3.15Å; L736-R738 PolarHBondContact O-N 3.02Å; L736-L740 HydrophobicContact CD1-CB 3.91Å; L736-L740 HydrophobicContact CD1-CD1 4.24Å; L736-L740 HydrophobicContact CD2-CB 4.22Å; L736-L740 HydrophobicContact CG-CB 3.98Å; L736-D741 HydrophobicContact CD2-CB 4.24Å
737	P	77.7	Confident	55.7	Low	9 Å²	9	70 Å²	70	6%	0.058	37%	0.371	C	S	.	.			trans	-57.3	136.3	169	-20.7	31.1	0	0	0	110.3	V251 W393 V739 L740 D741	V251-P737 HydrophobicContact CG1-CG 4.23Å; V251-P737 HydrophobicContact CG2-CB 4.28Å; V251-P737 HydrophobicContact CG2-CG 3.97Å; W393-P737 HydrophobicContact CB-CG 4.48Å; W393-P737 HydrophobicContact CD2-CB 4.47Å; W393-P737 HydrophobicContact CD2-CG 3.85Å; W393-P737 HydrophobicContact CE3-CG 3.64Å; W393-P737 HydrophobicContact CG-CB 4.47Å; W393-P737 HydrophobicContact CG-CG 4.22Å; W393-P737 HydrophobicContact CZ3-CG 4.14Å; P737-V739 HydrophobicContact CB-CG2 3.92Å; P737-V739 PolarHBondContact O-N 2.79Å; P737-L740 HydrophobicContact CG-CD1 4.24Å; P737-L740 PolarHBondContact O-N 3.47Å; P737-D741 PolarHBondContact O-N 3.47Å
738	R	75.9	Confident	55.3	Low	144 Å²	144	71.3 Å²	71.3	54%	0.543	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-51.2	-33.2	179.1	-174.9	-178.3	179.7	-175.6	-0.3	113.4	L736 L740 D741 S744	L736-R738 PolarHBondContact O-N 3.02Å; R738-L740 PolarHBondContact O-N 3.33Å; R738-D741 PolarHBondContact O-N 3.06Å; R738-S744 PolarHBondContact NE-OG 3.09Å
739	V	76.4	Confident	55	Low	33 Å²	33	71.9 Å²	71.9	20%	0.2	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-68.7	-17.6	179.8	-63.9	0	0	0	0	114.4	V251 L254 M255 D258 P737	V251-V739 HydrophobicContact CB-CG2 4.39Å; L254-V739 HydrophobicContact CB-CG2 4.48Å; L254-V739 HydrophobicContact CD2-CB 3.86Å; L254-V739 HydrophobicContact CD2-CG2 3.65Å; L254-V739 HydrophobicContact CG-CB 3.97Å; L254-V739 HydrophobicContact CG-CG2 3.98Å; M255-V739 HydrophobicContact CG-CG1 4.21Å; M255-V739 HydrophobicContact CG-CG2 3.95Å; D258-V739 HydrophobicContact CB-CG1 3.54Å; P737-V739 HydrophobicContact CB-CG2 3.92Å; P737-V739 PolarHBondContact O-N 2.79Å
740	L	76.3	Confident	54.3	Low	45 Å²	45	72.1 Å²	72.1	24%	0.236	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-102.2	-4.9	175.7	-62.1	-179.6	0	0	0	112.3	Y249 V251 L254 V325 L736 P737 R738 T742	Y249-L740 HydrophobicContact CD2-CD1 4.39Å; V251-L740 HydrophobicContact CG1-CD1 3.71Å; V251-L740 HydrophobicContact CG1-CG 4.15Å; L254-L740 HydrophobicContact CD2-CD2 3.91Å; V325-L740 HydrophobicContact CG1-CD1 4.35Å; V325-L740 HydrophobicContact CG1-CD2 4.17Å; L736-L740 HydrophobicContact CD1-CB 3.91Å; L736-L740 HydrophobicContact CD1-CD1 4.24Å; L736-L740 HydrophobicContact CD2-CB 4.22Å; L736-L740 HydrophobicContact CG-CB 3.98Å; P737-L740 HydrophobicContact CG-CD1 4.24Å; P737-L740 PolarHBondContact O-N 3.47Å; R738-L740 PolarHBondContact O-N 3.33Å; L740-T742 PolarHBondContact O-N 3.06Å
741	D	70.1	Confident	53.4	Low	54 Å²	54	78.1 Å²	78.1	29%	0.289	41%	0.412	S	S	.	.			trans	-80.5	106.9	176.9	-173.7	0.8	0	0	0	110.2	L736 P737 R738 Q743 S744	L736-D741 HydrophobicContact CD2-CB 4.24Å; P737-D741 PolarHBondContact O-N 3.47Å; R738-D741 PolarHBondContact O-N 3.06Å; D741-Q743 PolarHBondContact O-N 3.45Å; D741-Q743 PolarHBondContact OD1-N 3.39Å; D741-S744 WeakPolarHBondContact O-CB 3.46Å; D741-S744 PolarHBondContact O-N 3.27Å
742	T	53.2	Low	52.4	Low	122 Å²	122	80.7 Å²	80.7	75%	0.748	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.5	178.8	48.6	0	0	0	0	113.1	L740	L740-T742 PolarHBondContact O-N 3.06Å
743	Q	42.9	Very low	51	Low	174 Å²	174	86 Å²	86	81%	0.813	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.5	177.7	-60.6	-173.4	2.7	0	0	113.5	D741	D741-Q743 PolarHBondContact O-N 3.45Å; D741-Q743 PolarHBondContact OD1-N 3.39Å
744	S	37.6	Very low	49.1	Very low	8 Å²	8	89.8 Å²	89.8	6%	0.056	47%	0.474	C	S	.	.	S	Bend	trans	-65.1	131.3	175.9	177.2	0	0	0	0	110.3	R738 D741 A746 T747	R738-S744 PolarHBondContact NE-OG 3.09Å; D741-S744 WeakPolarHBondContact O-CB 3.46Å; D741-S744 PolarHBondContact O-N 3.27Å; S744-A746 PolarHBondContact O-N 3.13Å; S744-T747 PolarHBondContact O-N 3.04Å; S744-T747 PolarHBondContact O-OG1 3.45Å
745	P	39.2	Very low	46.9	Very low	58 Å²	58	94.2 Å²	94.2	38%	0.377	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-7.4	-178	22.6	-32.4	0	0	0	114	T748	P745-T748 PolarHBondContact O-OG1 3.33Å
746	A	36	Very low	44.3	Very low	21 Å²	21	102.6 Å²	102.6	17%	0.174	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-12.8	176.7	0	0	0	0	0	113.6	R261 S744	R261-A746 PolarHBondContact NH1-O 2.58Å; R261-A746 VanDerWaalsContact NH2-CB 3.27Å; R261-A746 PolarHBondContact NH2-O 3Å; R261-A746 VanDerWaalsContact NH2-O 3.16Å; S744-A746 PolarHBondContact O-N 3.13Å
747	T	32	Very low	41.6	Very low	78 Å²	78	105.5 Å²	105.5	48%	0.479	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.5	-25	-179.6	-40.1	0	0	0	0	112	S744 T749	S744-T747 PolarHBondContact O-N 3.04Å; S744-T747 PolarHBondContact O-OG1 3.45Å; T747-T749 PolarHBondContact O-N 3.16Å
748	T	29.4	Very low	39.2	Very low	88 Å²	88	115.8 Å²	115.8	54%	0.54	59%	0.592	S	S	.	*	S	Bend	trans	-78.4	109.7	170.1	44.8	0	0	0	0	109.6	P745 K750	P745-T748 PolarHBondContact O-OG1 3.33Å; T748-K750 VanDerWaalsContact C-N 3.32Å; T748-K750 PolarHBondContact O-N 2.86Å
749	T	30.3	Very low	36.9	Very low	117 Å²	117	112.1 Å²	112.1	72%	0.718	60%	0.599	S	S	*	*			trans	-51.1	100.5	158	-31	0	0	0	0	106.8	T747 E751	T747-T749 PolarHBondContact O-N 3.16Å; T749-E751 VanDerWaalsContact C-N 3.3Å; T749-E751 PolarHBondContact O-N 3.48Å
750	K	25.5	Very low	34.6	Very low	139 Å²	139	115.3 Å²	115.3	60%	0.604	62%	0.623	S	S	*	*			trans	-65.1	99.7	168.4	-81.1	-178	-177.9	171.7	0	104.8	E76 T748	E76-K750 IonicContact OE1-NZ 3.51Å; E76-K750 PolarHBondContact OE1-NZ 3.11Å; E76-K750 IonicContact OE2-NZ 3.35Å; E76-K750 PolarHBondContact OE2-NZ 2.8Å; T748-K750 VanDerWaalsContact C-N 3.32Å; T748-K750 PolarHBondContact O-N 2.86Å
751	E	22.7	Very low	32.4	Very low	167 Å²	167	121.5 Å²	121.5	78%	0.78	66%	0.655	S	S	*	*			trans	-52.4	137.9	156.7	-86.3	-171.5	159.5	0	0	107.4	T749 R753	T749-E751 VanDerWaalsContact C-N 3.3Å; T749-E751 PolarHBondContact O-N 3.48Å; E751-R753 PolarHBondContact O-N 2.87Å
752	P	24.3	Very low	30.3	Very low	123 Å²	123	125.8 Å²	125.8	80%	0.799	68%	0.678	S	S	*	*			trans	-63.9	102.8	-179.9	25.6	-30.6	0	0	0	108.1
753	R	22.8	Very low	29.1	Very low	229 Å²	229	128 Å²	128	86%	0.864	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-65.3	129.5	163.5	-75.7	-174.7	-179.7	-176.7	-0.3	106.9	E751 Q755	E751-R753 PolarHBondContact O-N 2.87Å; R753-Q755 PolarHBondContact O-N 3.49Å; R753-Q755 VanDerWaalsContact O-N 3.16Å
754	P	24.2	Very low	28.3	Very low	122 Å²	122	122.9 Å²	122.9	79%	0.792	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-59.5	123.2	173.6	25	-31.9	0	0	0	108.2	Q756	P754-Q756 PolarHBondContact O-N 3.5Å
755	Q	27.4	Very low	27.7	Very low	191 Å²	191	130.6 Å²	130.6	89%	0.893	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-59.7	122.7	173.8	-82.9	176.1	-33.2	0	0	108.7	R753 S757	R753-Q755 PolarHBondContact O-N 3.49Å; R753-Q755 VanDerWaalsContact O-N 3.16Å; Q755-S757 PolarHBondContact O-N 3.19Å
756	Q	24.9	Very low	27.1	Very low	179 Å²	179	133 Å²	133	84%	0.836	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-64.3	116.3	161.1	-81.3	175.1	-32.4	0	0	107.8	P754 Y758	P754-Q756 PolarHBondContact O-N 3.5Å; Q756-Y758 PolarHBondContact O-N 2.87Å
757	S	23.9	Very low	26.6	Very low	115 Å²	115	140.1 Å²	140.1	80%	0.804	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-54.3	117.6	172.2	177.4	0	0	0	0	110.1	Q755	Q755-S757 PolarHBondContact O-N 3.19Å
758	Y	28.3	Very low	26.2	Very low	224 Å²	224	142 Å²	142	88%	0.878	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-89.6	122.3	161.1	-100	-93.4	0	0	0	107.4	Q756	Q756-Y758 PolarHBondContact O-N 2.87Å
759	G	28.4	Very low	26	Very low	68 Å²	68	146.9 Å²	146.9	70%	0.701	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-57.1	136.9	-174.9	0	0	0	0	0	113.4
760	S	27.7	Very low	25.7	Very low	99 Å²	99	146.6 Å²	146.6	69%	0.692	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-63.8	122.5	162.7	-176.9	0	0	0	0	109.2
761	L	29.1	Very low	25.7	Very low	175 Å²	175	145.9 Å²	145.9	92%	0.916	81%	0.81	S	S	*	*			trans	-86.4	98.8	157.4	-85.8	159.3	0	0	0	106.4
762	D	27.2	Very low	25.9	Very low	144 Å²	144	143.9 Å²	143.9	77%	0.77	81%	0.809	S	S	*	*			trans	-72.4	119.4	162.6	-83.9	-25.9	0	0	0	108.5	G764	D762-G764 PolarHBondContact O-N 3.22Å
763	D	26.7	Very low	25.9	Very low	170 Å²	170	147 Å²	147	91%	0.909	81%	0.813	S	S	*	*			trans	-74	106.8	161.1	-98.5	-29.3	0	0	0	108.6
764	G	25.8	Very low	26.1	Very low	66 Å²	66	144.6 Å²	144.6	68%	0.68	81%	0.811	S	S	*	*			trans	-133.1	84.3	170.7	0	0	0	0	0	110	D762 S766	D762-G764 PolarHBondContact O-N 3.22Å; G764-S766 PolarHBondContact O-N 3.49Å; G764-S766 VanDerWaalsContact O-N 3.16Å
765	L	26.3	Very low	26.1	Very low	169 Å²	169	146.3 Å²	146.3	89%	0.885	81%	0.813	S	S	*	*			trans	-61.8	109	168.3	-87.6	153.7	0	0	0	109.7
766	S	26.8	Very low	26.1	Very low	110 Å²	110	142.4 Å²	142.4	77%	0.769	81%	0.807	S	S	*	*			trans	-140.8	104.5	154.1	52.9	0	0	0	0	108.9	G764	G764-S766 PolarHBondContact O-N 3.49Å; G764-S766 VanDerWaalsContact O-N 3.16Å
767	E	25.8	Very low	26.2	Very low	170 Å²	170	137 Å²	137	79%	0.794	80%	0.8	S	S	*	*			trans	-63.2	127.4	170.5	-70.8	176.7	142.7	0	0	109.6
768	S	23.5	Very low	26.3	Very low	118 Å²	118	138.7 Å²	138.7	83%	0.825	80%	0.8	S	S	*	*			trans	-133.5	113.2	156.3	55.4	0	0	0	0	108.7
769	F	23.9	Very low	26.2	Very low	189 Å²	189	135.5 Å²	135.5	83%	0.829	79%	0.79	S	S	*	*			trans	-71.8	136.4	175	-99.7	-100.8	0	0	0	110.7
770	S	24.3	Very low	26.3	Very low	112 Å²	112	139.3 Å²	139.3	78%	0.783	79%	0.788	S	S	*	*			trans	-156.6	145.8	150.1	-72	0	0	0	0	109.8
771	P	26.4	Very low	26.4	Very low	124 Å²	124	141 Å²	141	81%	0.805	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-94.1	150	-153.6	36.2	-32.5	0	0	0	113.5
772	V	26.6	Very low	26.8	Very low	125 Å²	125	144 Å²	144	76%	0.758	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-98.1	117.7	166	175.5	0	0	0	0	108.2	H774	V772-H774 PolarHBondContact O-N 3.26Å
773	E	24.8	Very low	26.7	Very low	188 Å²	188	144.1 Å²	144.1	88%	0.879	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-64.6	121.8	162.7	-74.2	178.5	148.1	0	0	109.4
774	H	26.6	Very low	26.7	Very low	179 Å²	179	142.7 Å²	142.7	83%	0.829	80%	0.8	S	S	*	*			trans	-125.1	111.2	160.5	-109	-66.4	0	0	0	108.8	V772	V772-H774 PolarHBondContact O-N 3.26Å
775	N	24.3	Very low	26.8	Very low	157 Å²	157	146.9 Å²	146.9	84%	0.84	81%	0.807	S	S	*	*			trans	-110.3	113.7	174.1	-166.3	17.5	0	0	0	108.1
776	S	27.1	Very low	26.8	Very low	110 Å²	110	145.6 Å²	145.6	77%	0.769	80%	0.802	S	S	*	*			trans	169.2	106	142	56.2	0	0	0	0	108.7
777	G	26.1	Very low	26.8	Very low	66 Å²	66	147.9 Å²	147.9	68%	0.68	81%	0.805	S	S	*	*			trans	-86.7	-163.7	-179.3	0	0	0	0	0	115.2
778	N	26.4	Very low	26.9	Very low	150 Å²	150	146.4 Å²	146.4	80%	0.802	81%	0.805	S	S	*	*			trans	100.4	131.1	170.4	-59.6	-4.9	0	0	0	115
779	F	27.2	Very low	27.1	Very low	156 Å²	156	148.4 Å²	148.4	68%	0.684	80%	0.804	S	S	*	*			cis	-168.7	138.7	6	-134.8	-120.8	0	0	0	108.5
780	F	29.1	Very low	27.4	Very low	149 Å²	149	145.3 Å²	145.3	65%	0.654	80%	0.802	S	S	*	*			trans	68	129.2	137.7	-83.1	-113.1	0	0	0	125.1
781	D	30.1	Very low	27.6	Very low	134 Å²	134	148.1 Å²	148.1	72%	0.717	80%	0.803	S	S	*	*			trans	65.8	123.7	140.8	-61.8	-3.1	0	0	0	118.8
782	I	36.7	Very low	27.7	Very low	239 Å²	239	150.3 Å²	150.3	100%	1.226	80%	0.803	S	S	*	*			cis	-142.1	0	31.1	-74.1	171.1	0	0	0	109.8

Retrieved 782 of 782 residues in 415.9 ms (Link to these results)

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