A0A5K4FGF8_SCHMA Loading...

Metalloprotease TIKI homolog

Metalloprotease that acts as a negative regulator of the Wnt signaling pathway.

AlphaFold DB , UniProt , Accession A0A5K4FGF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 719 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.4	Very low	37.8	Very low	229 Å²	229	128.2 Å²	128.2	100%	1.128	69%	0.691	S	S	*	*				0	112	0	-85.6	-175.1	158.9	0	0	108.1	V3	M1-V3 PolarHBondContact O-N 2.9Å; M1-V3 VanDerWaalsContact O-N 3.17Å
2	N	30.4	Very low	38.7	Very low	164 Å²	164	130.4 Å²	130.4	88%	0.877	69%	0.689	S	S	*	*			trans	-58	110.8	-179.6	-76.1	-19.8	0	0	0	110.9	K4	N2-K4 PolarHBondContact O-N 3.3Å; N2-K4 VanDerWaalsContact O-N 3.1Å
3	V	31.8	Very low	39.7	Very low	130 Å²	130	130.2 Å²	130.2	79%	0.788	68%	0.682	S	S	*	*			trans	-74	98.4	170	-179.9	0	0	0	0	106.9	M1	M1-V3 PolarHBondContact O-N 2.9Å; M1-V3 VanDerWaalsContact O-N 3.17Å
4	K	32.3	Very low	40.3	Very low	178 Å²	178	127.6 Å²	127.6	77%	0.774	67%	0.666	S	S	*	*			trans	-59.1	137.6	177.3	-74.9	-174.8	175.5	-176.9	0	110.3	N2 A6	N2-K4 PolarHBondContact O-N 3.3Å; N2-K4 VanDerWaalsContact O-N 3.1Å; K4-A6 PolarHBondContact O-N 3.09Å; K4-A6 VanDerWaalsContact O-N 3.11Å
5	P	38.3	Very low	41.3	Very low	87 Å²	87	125.1 Å²	125.1	57%	0.565	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	15.4	-166.7	4.2	14.2	0	0	0	114.7	S7 I8 Q9	P5-S7 VanDerWaalsContact C-N 3.27Å; P5-S7 PolarHBondContact O-N 3.38Å; P5-S7 VanDerWaalsContact O-N 3.15Å; P5-I8 PolarHBondContact O-N 3.46Å; P5-I8 VanDerWaalsContact O-N 3.14Å; P5-Q9 PolarHBondContact O-N 3.03Å
6	A	38.6	Very low	42.3	Very low	69 Å²	69	123.6 Å²	123.6	57%	0.57	65%	0.645	S	S	*	*	H	α-helix	trans	-62	-28.6	-169.4	0	0	0	0	0	114	K4	K4-A6 PolarHBondContact O-N 3.09Å; K4-A6 VanDerWaalsContact O-N 3.11Å
7	S	42	Very low	42.9	Very low	75 Å²	75	125.5 Å²	125.5	52%	0.524	65%	0.647	S	S	.	*	H	α-helix	trans	-77.5	-29.4	178.7	64.6	0	0	0	0	113.5	P5	P5-S7 VanDerWaalsContact C-N 3.27Å; P5-S7 PolarHBondContact O-N 3.38Å; P5-S7 VanDerWaalsContact O-N 3.15Å
8	I	42.1	Very low	43.2	Very low	114 Å²	114	122.3 Å²	122.3	59%	0.585	63%	0.631	S	S	*	*	H	α-helix	trans	-75.1	-33.8	179.8	-65.2	172.1	0	0	0	110.2	P5 C11 K12	P5-I8 PolarHBondContact O-N 3.46Å; P5-I8 VanDerWaalsContact O-N 3.14Å; I8-C11 PolarHBondContact O-N 2.72Å; I8-K12 PolarHBondContact O-N 2.71Å
9	Q	45.4	Very low	43.8	Very low	123 Å²	123	121.1 Å²	121.1	58%	0.575	63%	0.625	S	S	*	*	H	α-helix	trans	-72.2	-33.2	-177.2	-152.6	154	-0.7	0	0	113	P5 C11 K12 H13	P5-Q9 PolarHBondContact O-N 3.03Å; Q9-C11 VanDerWaalsContact C-N 3.33Å; Q9-K12 PolarHBondContact O-N 3Å; Q9-H13 PolarHBondContact O-N 3.24Å; Q9-H13 PolarHBondContact O-ND1 3.02Å
10	K	43.2	Very low	44.1	Very low	172 Å²	172	120.4 Å²	120.4	75%	0.748	62%	0.622	S	S	*	*	H	α-helix	trans	-64.2	-37.6	170.3	-75.9	-170.4	175.8	-172.4	0	112	M14	K10-M14 PolarHBondContact O-N 2.86Å
11	C	41.5	Very low	44.3	Very low	69 Å²	69	117.4 Å²	117.4	47%	0.466	61%	0.611	S	S	.	*	H	α-helix	trans	-70.3	-38.9	179.1	-145.6	0	0	0	0	111.9	I8 Q9 M14 I15	I8-C11 PolarHBondContact O-N 2.72Å; Q9-C11 VanDerWaalsContact C-N 3.33Å; C11-M14 PolarHBondContact O-N 2.99Å; C11-I15 VanDerWaalsContact O-CG1 3.31Å; C11-I15 WeakPolarHBondContact O-CG1 3.37Å; C11-I15 PolarHBondContact O-N 2.78Å
12	K	48.4	Very low	45.2	Very low	155 Å²	155	109.8 Å²	109.8	67%	0.674	58%	0.581	S	S	*	*	H	α-helix	trans	-61.5	-45.6	174.6	-97.8	-172.4	173.4	-174.4	0	113.4	I8 Q9 M14 I15 L16	I8-K12 PolarHBondContact O-N 2.71Å; Q9-K12 PolarHBondContact O-N 3Å; K12-M14 VanDerWaalsContact C-N 3.32Å; K12-M14 PolarHBondContact O-N 3.08Å; K12-I15 PolarHBondContact O-N 2.81Å; K12-L16 PolarHBondContact O-N 2.77Å
13	H	51.8	Low	45.8	Very low	127 Å²	127	107.9 Å²	107.9	59%	0.588	57%	0.57	S	S	*	*	H	α-helix	trans	-66	-36.5	178.1	-74.4	81.2	0	0	0	111.7	Q9 L16 F17	Q9-H13 PolarHBondContact O-N 3.24Å; Q9-H13 PolarHBondContact O-ND1 3.02Å; H13-L16 PolarHBondContact O-N 3.25Å; H13-F17 PolarHBondContact O-N 3.31Å
14	M	47.6	Very low	46.2	Very low	94 Å²	94	110.1 Å²	110.1	46%	0.463	57%	0.569	S	S	.	*	H	α-helix	trans	-64.2	-43.2	175.1	-106.4	-150.4	78.7	0	0	112.9	K10 C11 K12 L16 F17 L18 Y711	K10-M14 PolarHBondContact O-N 2.86Å; C11-M14 PolarHBondContact O-N 2.99Å; K12-M14 VanDerWaalsContact C-N 3.32Å; K12-M14 PolarHBondContact O-N 3.08Å; M14-L16 VanDerWaalsContact C-N 3.33Å; M14-F17 PolarHBondContact O-N 3.28Å; M14-L18 HydrophobicContact CE-CD1 4.28Å; M14-L18 WeakPolarHBondContact O-CG 3.34Å; M14-L18 PolarHBondContact O-N 3.23Å; M14-Y711 HydrophobicContact CE-CD2 4.46Å; M14-Y711 HydrophobicContact CE-CE2 4.35Å
15	I	56.1	Low	46.5	Very low	91 Å²	91	108.6 Å²	108.6	47%	0.467	57%	0.565	S	S	.	*	H	α-helix	trans	-66.7	-38	178.6	-66.3	165.1	0	0	0	110.7	C11 K12 L18 L19	C11-I15 VanDerWaalsContact O-CG1 3.31Å; C11-I15 WeakPolarHBondContact O-CG1 3.37Å; C11-I15 PolarHBondContact O-N 2.78Å; K12-I15 PolarHBondContact O-N 2.81Å; I15-L18 PolarHBondContact O-N 3.26Å; I15-L19 HydrophobicContact CG2-CD1 4.17Å; I15-L19 WeakPolarHBondContact O-CG 3.4Å; I15-L19 PolarHBondContact O-N 3.08Å
16	L	56.4	Low	46.5	Very low	100 Å²	100	109.1 Å²	109.1	52%	0.524	57%	0.568	S	S	.	*	H	α-helix	trans	-64.8	-39.4	176	-169.2	67	0	0	0	111.9	K12 H13 M14 L19 L20	K12-L16 PolarHBondContact O-N 2.77Å; H13-L16 PolarHBondContact O-N 3.25Å; M14-L16 VanDerWaalsContact C-N 3.33Å; L16-L19 PolarHBondContact O-N 2.89Å; L16-L20 HydrophobicContact CG-CD1 4.17Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.11Å
17	F	52.8	Low	46.1	Very low	156 Å²	156	112.5 Å²	112.5	68%	0.684	58%	0.576	S	S	*	*	H	α-helix	trans	-64.1	-40.7	174.8	-168.2	-95.4	0	0	0	112.1	H13 M14 L20 S21	H13-F17 PolarHBondContact O-N 3.31Å; M14-F17 PolarHBondContact O-N 3.28Å; F17-L20 PolarHBondContact O-N 2.87Å; F17-S21 PolarHBondContact O-N 3.34Å; F17-S21 PolarHBondContact O-OG 3.3Å
18	L	48.2	Very low	45.7	Very low	69 Å²	69	116.3 Å²	116.3	36%	0.361	59%	0.59	S	S	.	*	H	α-helix	trans	-64.9	-36.5	175	-69.8	169.8	0	0	0	112.7	M14 I15 S21 S22	M14-L18 HydrophobicContact CE-CD1 4.28Å; M14-L18 WeakPolarHBondContact O-CG 3.34Å; M14-L18 PolarHBondContact O-N 3.23Å; I15-L18 PolarHBondContact O-N 3.26Å; L18-S21 PolarHBondContact O-OG 3.02Å; L18-S22 WeakPolarHBondContact O-CB 3.46Å; L18-S22 PolarHBondContact O-N 3.03Å; L18-S22 PolarHBondContact O-OG 2.64Å
19	L	54.2	Low	45.1	Very low	99 Å²	99	120.1 Å²	120.1	52%	0.518	60%	0.602	S	S	.	*	H	α-helix	trans	-68.6	-43.5	175.8	-75.5	167.2	0	0	0	111.3	I15 L16 S22 L23	I15-L19 HydrophobicContact CG2-CD1 4.17Å; I15-L19 WeakPolarHBondContact O-CG 3.4Å; I15-L19 PolarHBondContact O-N 3.08Å; L16-L19 PolarHBondContact O-N 2.89Å; L19-S22 PolarHBondContact O-N 3.37Å; L19-S22 PolarHBondContact O-OG 2.78Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 2.81Å
20	L	51.2	Low	44.2	Very low	106 Å²	106	119 Å²	119	56%	0.555	61%	0.608	S	S	*	*	H	α-helix	trans	-66.5	-37	178.9	-76.7	161.2	0	0	0	112.8	L16 F17	L16-L20 HydrophobicContact CG-CD1 4.17Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.11Å; F17-L20 PolarHBondContact O-N 2.87Å
21	S	47.9	Very low	43.3	Very low	58 Å²	58	116.1 Å²	116.1	41%	0.406	61%	0.605	S	S	.	*	H	α-helix	trans	-73.9	-29.6	178	64.2	0	0	0	0	113.3	F17 L18 L23	F17-S21 PolarHBondContact O-N 3.34Å; F17-S21 PolarHBondContact O-OG 3.3Å; L18-S21 PolarHBondContact O-OG 3.02Å; S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 2.86Å
22	S	49.6	Very low	42.6	Very low	70 Å²	70	119.7 Å²	119.7	49%	0.49	62%	0.624	S	S	.	*	H	α-helix	trans	-72.2	-23.4	177.7	71.9	0	0	0	0	114.2	L18 L19 F24	L18-S22 WeakPolarHBondContact O-CB 3.46Å; L18-S22 PolarHBondContact O-N 3.03Å; L18-S22 PolarHBondContact O-OG 2.64Å; L19-S22 PolarHBondContact O-N 3.37Å; L19-S22 PolarHBondContact O-OG 2.78Å; S22-F24 VanDerWaalsContact C-N 3.34Å; S22-F24 PolarHBondContact O-N 2.85Å
23	L	43.2	Very low	41.4	Very low	124 Å²	124	121.2 Å²	121.2	65%	0.649	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-16.8	-178.3	-74.9	166.2	0	0	0	113.6	L19 S21 P26	L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 2.81Å; S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 2.86Å; L23-P26 WeakPolarHBondContact O-CD 3.33Å
24	F	38.6	Very low	39.9	Very low	176 Å²	176	123.5 Å²	123.5	77%	0.772	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-6.4	-176.3	-99	-88	0	0	0	115.4	S22	S22-F24 VanDerWaalsContact C-N 3.34Å; S22-F24 PolarHBondContact O-N 2.85Å
25	Q	40.3	Very low	38.7	Very low	147 Å²	147	125.8 Å²	125.8	69%	0.687	65%	0.654	S	S	*	*	S	Bend	trans	-80.2	-28.2	-179.4	-81.8	-91.6	-49.3	0	0	116.5	L27	Q25-L27 VanDerWaalsContact C-N 3.29Å; Q25-L27 PolarHBondContact O-N 3.03Å
26	P	36.5	Very low	37.2	Very low	97 Å²	97	126.9 Å²	126.9	63%	0.63	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-76.4	-11	-174	-13.3	28.6	0	0	0	114.9	L23 L28	L23-P26 WeakPolarHBondContact O-CD 3.33Å; P26-L28 VanDerWaalsContact C-N 3.33Å; P26-L28 PolarHBondContact O-N 2.92Å
27	L	32	Very low	35.5	Very low	141 Å²	141	128.5 Å²	128.5	74%	0.738	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-81.3	-4.8	-176.1	-101.3	132.6	0	0	0	114.9	Q25	Q25-L27 VanDerWaalsContact C-N 3.29Å; Q25-L27 PolarHBondContact O-N 3.03Å
28	L	32.8	Very low	34.1	Very low	155 Å²	155	127.4 Å²	127.4	81%	0.812	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-106.4	-4.5	-177.4	-129.7	81.5	0	0	0	115.8	P26	P26-L28 VanDerWaalsContact C-N 3.33Å; P26-L28 PolarHBondContact O-N 2.92Å
29	K	29.1	Very low	32.8	Very low	193 Å²	193	133.1 Å²	133.1	84%	0.839	70%	0.703	S	S	*	*	S	Bend	trans	-103.7	5.4	-176.3	-70.2	-167.2	178.7	-176.3	0	115.5
30	S	26.9	Very low	31.3	Very low	101 Å²	101	138 Å²	138	71%	0.706	72%	0.72	S	S	*	*	S	Bend	trans	-92.9	11.9	174.9	49.5	0	0	0	0	114.5
31	V	23.9	Very low	29.8	Very low	110 Å²	110	139 Å²	139	67%	0.667	73%	0.73	S	S	*	*			trans	-136.3	101.9	176.7	-174	0	0	0	0	108.7
32	V	27.5	Very low	28.7	Very low	145 Å²	145	143.2 Å²	143.2	88%	0.879	75%	0.754	S	S	*	*			trans	176.1	134	137.3	167.9	0	0	0	0	108.2
33	F	23.7	Very low	27.4	Very low	186 Å²	186	143.3 Å²	143.3	82%	0.816	77%	0.765	S	S	*	*			trans	-90.2	160.2	-155.8	-95.8	-106.7	0	0	0	116.9
34	F	20.4	Very low	26.5	Very low	175 Å²	175	146.7 Å²	146.7	77%	0.768	78%	0.778	S	S	*	*			trans	-14.8	158.5	153	-87	-93.3	0	0	0	124.3
35	N	21.9	Very low	25.7	Very low	143 Å²	143	145.7 Å²	145.7	77%	0.765	78%	0.779	S	S	*	*			trans	87.4	136.8	155.5	-60.6	-23	0	0	0	116.5
36	S	24.8	Very low	24.9	Very low	113 Å²	113	144.7 Å²	144.7	79%	0.79	78%	0.782	S	S	*	*			cis	-164.9	158.7	33.9	-30.6	0	0	0	0	112.2
37	N	20.2	Very low	24.2	Very low	134 Å²	134	147.2 Å²	147.2	72%	0.717	79%	0.791	S	S	*	*			trans	-63.3	145.4	171.6	-59.7	-63	0	0	0	114.7
38	V	22.8	Very low	23.8	Very low	134 Å²	134	147.5 Å²	147.5	81%	0.812	79%	0.792	S	S	*	*			trans	-143.1	124.8	150.4	179.2	0	0	0	0	109.6	F40	V38-F40 HydrophobicContact CG1-CD2 4.22Å; V38-F40 HydrophobicContact CG1-CE2 4.36Å
39	Y	20.5	Very low	23.4	Very low	189 Å²	189	146 Å²	146	74%	0.741	79%	0.791	S	S	*	*			trans	-104.8	147.4	172.5	-76.1	-99	0	0	0	109.3
40	F	22.9	Very low	23.1	Very low	202 Å²	202	145.2 Å²	145.2	89%	0.886	79%	0.79	S	S	*	*			trans	-139.9	138.7	153	-94.7	-82.9	0	0	0	111.1	V38	V38-F40 HydrophobicContact CG1-CD2 4.22Å; V38-F40 HydrophobicContact CG1-CE2 4.36Å
41	V	19.4	Very low	23	Very low	126 Å²	126	150 Å²	150	76%	0.764	80%	0.798	S	S	*	*			trans	-118.1	128.9	-175.4	168.6	0	0	0	0	108.2
42	T	26.4	Very low	22.9	Very low	147 Å²	147	153.6 Å²	153.6	90%	0.902	81%	0.805	S	S	*	*			trans	-166.7	139.4	147.2	51.6	0	0	0	0	105.1
43	G	22.2	Very low	22.7	Very low	71 Å²	71	154.8 Å²	154.8	73%	0.732	81%	0.806	S	S	*	*			cis	141.6	81.1	8.7	0	0	0	0	0	108.4
44	Q	23.5	Very low	22.9	Very low	195 Å²	195	156.1 Å²	156.1	91%	0.911	81%	0.807	S	S	*	*			trans	-158.5	133.2	154.9	-81.1	-149.2	-35.1	0	0	111
45	I	21.2	Very low	23.1	Very low	155 Å²	155	156.5 Å²	156.5	80%	0.795	81%	0.812	S	S	*	*			trans	-103.1	122.8	-179.6	-66	168.9	0	0	0	107.9
46	V	24.3	Very low	23	Very low	126 Å²	126	158.8 Å²	158.8	76%	0.764	82%	0.815	S	S	*	*			trans	-128.3	115.5	161.4	179.5	0	0	0	0	107.9
47	N	21.2	Very low	23.2	Very low	150 Å²	150	158.9 Å²	158.9	80%	0.802	82%	0.816	S	S	*	*			trans	-77.1	115.5	175.8	-85.6	-34.3	0	0	0	110.6
48	I	25.3	Very low	23.3	Very low	148 Å²	148	160.9 Å²	160.9	76%	0.759	82%	0.818	S	S	*	*			trans	-142.7	132.8	153.2	-60.3	-175.9	0	0	0	107.8
49	P	23	Very low	23.4	Very low	123 Å²	123	159.6 Å²	159.6	80%	0.799	82%	0.815	S	S	*	*			trans	-88.4	121.2	-162.6	33.5	-31.3	0	0	0	112
50	H	24.3	Very low	23.5	Very low	176 Å²	176	160.5 Å²	160.5	82%	0.815	82%	0.823	S	S	*	*			trans	-137.3	119.8	156.5	-136.9	-85.5	0	0	0	108.9	F52	H50-F52 PolarHBondContact O-N 3.23Å
51	K	23.6	Very low	23.6	Very low	201 Å²	201	156.3 Å²	156.3	87%	0.874	82%	0.819	S	S	*	*			trans	-52.8	102.1	173.7	-81.8	174.9	171	175.9	0	110.1
52	F	22.6	Very low	23.8	Very low	187 Å²	187	156.5 Å²	156.5	82%	0.82	82%	0.821	S	S	*	*			trans	-165.2	104.2	151.5	-103.3	-79.1	0	0	0	106	H50	H50-F52 PolarHBondContact O-N 3.23Å
53	N	23	Very low	23.8	Very low	169 Å²	169	155 Å²	155	90%	0.904	82%	0.817	S	S	*	*			trans	-151.3	123.4	141	-113.3	-26.1	0	0	0	112.6
54	Y	27.2	Very low	23.9	Very low	214 Å²	214	158.8 Å²	158.8	84%	0.839	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-63.2	133.6	174.9	-142.7	-101.7	0	0	0	108.8	F56	Y54-F56 PolarHBondContact O-N 3.04Å
55	Q	25	Very low	24	Very low	184 Å²	184	158.5 Å²	158.5	86%	0.86	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-62.8	130.6	172.6	-88.1	173.5	-44.5	0	0	110.8
56	F	20.5	Very low	24.8	Very low	190 Å²	190	156.9 Å²	156.9	83%	0.833	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-55	130.9	155.8	-111.7	-101.2	0	0	0	110.9	Y54 K58	Y54-F56 PolarHBondContact O-N 3.04Å; F56-K58 HydrophobicContact CD1-CG 4.37Å
57	S	27.8	Very low	25.1	Very low	116 Å²	116	162.4 Å²	162.4	81%	0.811	82%	0.821	S	S	*	*			trans	-132.9	105.8	149.1	67.9	0	0	0	0	109.6
58	K	22.1	Very low	25.1	Very low	176 Å²	176	161.2 Å²	161.2	77%	0.765	82%	0.819	S	S	*	*			trans	-61.1	142.2	161.5	-73.6	172.4	173	175.7	0	109.4	F56	F56-K58 HydrophobicContact CD1-CG 4.37Å
59	S	25.2	Very low	25.2	Very low	107 Å²	107	161.2 Å²	161.2	75%	0.748	82%	0.819	S	S	*	*				159.1	117.7	122.1	-70.7	0	0	0	0	111.8
60	F	22	Very low	25.3	Very low	207 Å²	207	163.7 Å²	163.7	91%	0.908	82%	0.818	S	S	*	*			trans	17.7	124.5	143.7	-71	-94	0	0	0	119.4
61	S	25.6	Very low	25.3	Very low	114 Å²	114	164.5 Å²	164.5	80%	0.797	82%	0.815	S	S	*	*				-168.1	112.2	111.5	-167.1	0	0	0	0	110.6	S63	S61-S63 PolarHBondContact O-N 2.99Å
62	T	23	Very low	25.5	Very low	130 Å²	130	163.4 Å²	163.4	80%	0.798	81%	0.813	S	S	*	*			trans	-67.9	117.5	161.5	46.8	0	0	0	0	109.1
63	S	26.9	Very low	26.5	Very low	117 Å²	117	159.7 Å²	159.7	82%	0.818	81%	0.808	S	S	*	*			trans	-141.2	97.1	155.4	-162.9	0	0	0	0	110.6	S61	S61-S63 PolarHBondContact O-N 2.99Å
64	I	24.2	Very low	26.8	Very low	149 Å²	149	160.3 Å²	160.3	76%	0.764	81%	0.81	S	S	*	*			trans	-75.5	122.5	162	-62	167	0	0	0	106.5
65	K	26.2	Very low	26.6	Very low	190 Å²	190	156.8 Å²	156.8	83%	0.826	80%	0.804	S	S	*	*				167.7	147.1	122.9	-90.9	177.3	-175	179.8	0	112.6
66	P	38.5	Very low	26.6	Very low	121 Å²	121	155.7 Å²	155.7	79%	0.786	80%	0.802	S	S	*	*			trans	-93.3	141.9	-175	36.4	-30.5	0	0	0	111.8
67	R	29.2	Very low	26.9	Very low	241 Å²	241	151 Å²	151	91%	0.909	79%	0.793	S	S	*	*			trans	-149.7	112.5	154	-108.4	179.4	-177.1	176.5	0.1	109.8
68	T	22	Very low	27	Very low	126 Å²	126	154.8 Å²	154.8	77%	0.773	80%	0.796	S	S	*	*			trans	-37.9	138.3	149.9	45.7	0	0	0	0	112.1
69	I	26.9	Very low	27.1	Very low	147 Å²	147	154 Å²	154	75%	0.754	80%	0.798	S	S	*	*			trans	176.9	121.7	133.4	-87.4	152.1	0	0	0	110.1
70	F	25.5	Very low	27.3	Very low	176 Å²	176	152.5 Å²	152.5	77%	0.772	79%	0.788	S	S	*	*			trans	44.1	120.2	143.3	-72.4	-105.2	0	0	0	123.7
71	Y	23.7	Very low	27.7	Very low	193 Å²	193	152.6 Å²	152.6	76%	0.757	79%	0.788	S	S	*	*			trans	50.1	128.7	130.2	-74.9	-94.2	0	0	0	123.2
72	Q	27.6	Very low	27.7	Very low	177 Å²	177	154.6 Å²	154.6	83%	0.827	79%	0.789	S	S	*	*			trans	92	151.1	137.9	-82.7	178.6	-40.9	0	0	121.2
73	P	44.8	Very low	27.9	Very low	110 Å²	110	155.4 Å²	155.4	71%	0.714	79%	0.788	S	S	*	*			trans	-108.1	152.8	-139.3	39.7	-32.1	0	0	0	114.2
74	L	28.5	Very low	28	Very low	181 Å²	181	160.5 Å²	160.5	95%	0.948	79%	0.791	S	S	*	*			trans	-117.2	103.4	165.6	-91	161.1	0	0	0	109.7
75	I	23.4	Very low	28.1	Very low	141 Å²	141	161.4 Å²	161.4	72%	0.723	80%	0.797	S	S	*	*			trans	-76.7	145.3	155.9	-52.8	178.8	0	0	0	106.6
76	I	25.4	Very low	28.3	Very low	160 Å²	160	157.3 Å²	157.3	82%	0.821	79%	0.792	S	S	*	*			trans	105.2	113.8	156.7	-51.2	-175.6	0	0	0	116.8
77	S	27.4	Very low	27.8	Very low	92 Å²	92	160.3 Å²	160.3	64%	0.643	80%	0.796	S	S	*	*			trans	86.7	96.2	149.9	-158.2	0	0	0	0	118.8
78	F	28	Very low	27.9	Very low	195 Å²	195	157.3 Å²	157.3	86%	0.855	79%	0.79	S	S	*	*			trans	-144.9	70.4	130.9	-106.8	-79.8	0	0	0	109.5	S80	F78-S80 PolarHBondContact O-N 2.92Å
79	I	25.9	Very low	28.1	Very low	161 Å²	161	161.2 Å²	161.2	83%	0.826	80%	0.796	S	S	*	*			trans	-78.4	83.3	151.9	-61.6	176.1	0	0	0	105.7
80	S	28.5	Very low	28.2	Very low	75 Å²	75	165.4 Å²	165.4	52%	0.524	80%	0.803	S	S	.	*			trans	-160.6	68.2	158.7	81	0	0	0	0	110.9	F78	F78-S80 PolarHBondContact O-N 2.92Å
81	K	30	Very low	28.4	Very low	209 Å²	209	167.8 Å²	167.8	91%	0.909	81%	0.807	S	S	*	*			trans	-141.7	54.8	148.6	-123.2	169	-175.9	175.8	0	109.5	D83	K81-D83 PolarHBondContact O-N 3.06Å
82	L	26.2	Very low	28.6	Very low	156 Å²	156	167.4 Å²	167.4	82%	0.817	81%	0.811	S	S	*	*			trans	-62	102.5	145.5	-72	163.3	0	0	0	106.6
83	D	27.9	Very low	28.5	Very low	146 Å²	146	165 Å²	165	78%	0.781	81%	0.809	S	S	*	*			trans	-178.5	88	135.3	-113	-14.3	0	0	0	110.3	K81	K81-D83 PolarHBondContact O-N 3.06Å
84	Y	27.7	Very low	27.7	Very low	224 Å²	224	171 Å²	171	88%	0.878	82%	0.818	S	S	*	*			trans	-160.6	61.5	145.2	-139.4	-99.5	0	0	0	108.7
85	N	27.7	Very low	27.5	Very low	168 Å²	168	168.1 Å²	168.1	90%	0.898	81%	0.813	S	S	*	*			trans	-136.3	62.1	174.8	-107.9	-20.8	0	0	0	109
86	S	29	Very low	27.7	Very low	104 Å²	104	168 Å²	168	73%	0.727	81%	0.812	S	S	*	*			trans	-144.5	49.4	175.3	69.6	0	0	0	0	112.6
87	E	28.7	Very low	27.8	Very low	185 Å²	185	165.3 Å²	165.3	86%	0.864	81%	0.807	S	S	*	*	S	Bend	trans	-153.1	16.3	162.9	-124.5	174.5	-160.5	0	0	117.6
88	F	30.6	Very low	27.9	Very low	177 Å²	177	167 Å²	167	78%	0.776	81%	0.814	S	S	*	*			trans	-130.9	26.5	172.7	-133.5	-100.6	0	0	0	115.3	R90	F88-R90 VanDerWaalsContact C-N 3.27Å; F88-R90 PolarHBondContact O-N 3.39Å; F88-R90 VanDerWaalsContact O-N 3.11Å
89	K	27.6	Very low	27.9	Very low	209 Å²	209	167.7 Å²	167.7	91%	0.909	81%	0.811	S	S	*	*			trans	-79	72.1	161.5	-83.4	-173.4	177.7	177	0	110.3
90	R	27.8	Very low	28	Very low	235 Å²	235	163.8 Å²	163.8	89%	0.887	80%	0.798	S	S	*	*			trans	-166.5	51.5	155.8	-121.2	-172.1	-80.5	-172.2	-2.1	114.8	F88	F88-R90 VanDerWaalsContact C-N 3.27Å; F88-R90 PolarHBondContact O-N 3.39Å; F88-R90 VanDerWaalsContact O-N 3.11Å
91	R	29.4	Very low	28	Very low	226 Å²	226	168.3 Å²	168.3	85%	0.853	82%	0.815	S	S	*	*			trans	-138.2	95.7	151.8	-72.5	-166.3	179.2	170	0.6	109.8	T93	R91-T93 PolarHBondContact O-N 3.2Å
92	Q	29.4	Very low	28.1	Very low	184 Å²	184	163.3 Å²	163.3	86%	0.86	80%	0.802	S	S	*	*			trans	-58.7	112.9	174.3	-144.5	165.6	26.3	0	0	109.3	R94	Q92-R94 PolarHBondContact O-N 3.32Å
93	T	25.3	Very low	28.6	Very low	128 Å²	128	161.8 Å²	161.8	79%	0.785	80%	0.8	S	S	*	*			trans	20.3	87.5	140.1	57.8	0	0	0	0	116.7	R91	R91-T93 PolarHBondContact O-N 3.2Å
94	R	26.6	Very low	29.3	Very low	235 Å²	235	158.2 Å²	158.2	89%	0.887	79%	0.786	S	S	*	*			trans	-101.3	111.9	135.5	-83.1	-175.2	172.3	173.7	-1.9	106.2	Q92 I96	Q92-R94 PolarHBondContact O-N 3.32Å; R94-I96 PolarHBondContact O-N 2.82Å
95	S	25.6	Very low	30.3	Very low	121 Å²	121	153.5 Å²	153.5	85%	0.846	78%	0.776	S	S	*	*			trans	-63.8	76.7	174.1	54	0	0	0	0	109.9	S97	S95-S97 PolarHBondContact O-N 2.91Å
96	I	27.6	Very low	31.8	Very low	139 Å²	139	152.8 Å²	152.8	71%	0.713	77%	0.765	S	S	*	*			trans	-75.9	107.7	158.2	-62.5	172.7	0	0	0	103.6	R94 V98	R94-I96 PolarHBondContact O-N 2.82Å; I96-V98 VanDerWaalsContact C-N 3.27Å; I96-V98 PolarHBondContact O-N 2.83Å
97	S	27.2	Very low	33.8	Very low	102 Å²	102	149.2 Å²	149.2	71%	0.713	74%	0.74	S	S	*	*			trans	-51.2	102.9	163.1	175.2	0	0	0	0	106.1	S95 R99	S95-S97 PolarHBondContact O-N 2.91Å; S97-R99 PolarHBondContact O-N 3.23Å
98	V	30.1	Very low	35.4	Very low	129 Å²	129	144.4 Å²	144.4	78%	0.782	72%	0.724	S	S	*	*			trans	-67.4	85.9	163.3	179.9	0	0	0	0	103.3	I96 S100	I96-V98 VanDerWaalsContact C-N 3.27Å; I96-V98 PolarHBondContact O-N 2.83Å; V98-S100 PolarHBondContact O-N 3.26Å
99	R	27	Very low	36.5	Very low	209 Å²	209	145.5 Å²	145.5	79%	0.789	73%	0.732	S	S	*	*			trans	-57.1	104.2	165.2	-151.1	-177.1	-146.5	-176.4	8.4	103.4	S97 L101	S97-R99 PolarHBondContact O-N 3.23Å; R99-L101 PolarHBondContact O-N 2.63Å
100	S	27.8	Very low	37.7	Very low	79 Å²	79	138.4 Å²	138.4	55%	0.552	71%	0.709	S	S	*	*			trans	-36.2	117.8	170.4	173.2	0	0	0	0	107.7	V98 T102	V98-S100 PolarHBondContact O-N 3.26Å; S100-T102 PolarHBondContact O-N 3.08Å; S100-T102 WeakPolarHBondContact OG-CG2 3.24Å
101	L	29.3	Very low	38.6	Very low	170 Å²	170	132.5 Å²	132.5	89%	0.89	70%	0.699	S	S	*	*			trans	-70.8	43.3	172.5	-79.8	152.5	0	0	0	109.6	R99 T103	R99-L101 PolarHBondContact O-N 2.63Å; L101-T103 VanDerWaalsContact C-N 3.28Å; L101-T103 PolarHBondContact O-N 3.15Å
102	T	31.2	Very low	39.6	Very low	103 Å²	103	128 Å²	128	63%	0.632	70%	0.702	S	S	*	*			trans	-66.3	104.4	152.2	50.8	0	0	0	0	104.4	S100 S104	S100-T102 PolarHBondContact O-N 3.08Å; S100-T102 WeakPolarHBondContact OG-CG2 3.24Å; T102-S104 PolarHBondContact O-N 3.31Å
103	T	36.6	Very low	41.1	Very low	125 Å²	125	126.3 Å²	126.3	77%	0.767	69%	0.692	S	S	*	*			trans	-48.4	91.2	159.9	46.7	0	0	0	0	106.2	L101 N105	L101-T103 VanDerWaalsContact C-N 3.28Å; L101-T103 PolarHBondContact O-N 3.15Å; T103-N105 PolarHBondContact O-N 2.68Å
104	S	42.6	Very low	43	Very low	71 Å²	71	126.5 Å²	126.5	50%	0.497	68%	0.684	S	S	.	*			trans	-70.2	108.4	-176.9	81.5	0	0	0	0	104.4	T102 K106	T102-S104 PolarHBondContact O-N 3.31Å; S104-K106 PolarHBondContact O-N 3.17Å; S104-K106 VanDerWaalsContact OG-CD 3.24Å; S104-K106 WeakPolarHBondContact OG-CD 3.47Å; S104-K106 WeakPolarHBondContact OG-CE 3.36Å; S104-K106 VanDerWaalsContact OG-CG 3.25Å; S104-K106 WeakPolarHBondContact OG-CG 3.45Å
105	N	50.1	Low	45.6	Very low	124 Å²	124	119.5 Å²	119.5	66%	0.663	66%	0.66	S	S	*	*			trans	-56.8	66	164	-75.7	-12.1	0	0	0	109	T103 C107	T103-N105 PolarHBondContact O-N 2.68Å; N105-C107 PolarHBondContact O-N 2.04Å; N105-C107 VanDerWaalsContact O-N 3.17Å
106	K	59.5	Low	48.5	Very low	153 Å²	153	116.2 Å²	116.2	67%	0.665	63%	0.632	S	S	*	*			trans	-84.3	95.4	175.5	-85.9	177.1	-173.3	177	0	105	S104	S104-K106 PolarHBondContact O-N 3.17Å; S104-K106 VanDerWaalsContact OG-CD 3.24Å; S104-K106 WeakPolarHBondContact OG-CD 3.47Å; S104-K106 WeakPolarHBondContact OG-CE 3.36Å; S104-K106 VanDerWaalsContact OG-CG 3.25Å; S104-K106 WeakPolarHBondContact OG-CG 3.45Å
107	C	70.8	Confident	51.7	Low	30 Å²	30	110 Å²	110	20%	0.203	60%	0.601	C	S	.	*			trans	-39	128.6	156.8	-62.9	0	0	0	0	108	N105 Q109 C387	N105-C107 PolarHBondContact O-N 2.04Å; N105-C107 VanDerWaalsContact O-N 3.17Å; C107-Q109 PolarHBondContact O-N 3.37Å; C107-C387 WeakPolarHBondContact CA-SG 3.49Å; C107-C387 HydrophobicContact CB-CB 3.7Å; C107-C387 WeakPolarHBondContact CB-SG 3.44Å; C107-C387 WeakPolarHBondContact SG-CA 3.17Å; C107-C387 WeakPolarHBondContact SG-CB 3.26Å; C107-C387 CovalentContact SG-SG 2.04Å; C107-C387 PolarHBondContact SG-SG 3.26Å
108	P	61.1	Low	54.9	Low	84 Å²	84	105.5 Å²	105.5	55%	0.545	57%	0.569	S	S	.	*			trans	-46.3	136.7	175.2	-24.7	31.2	0	0	0	107.9	S110	P108-S110 PolarHBondContact O-N 2.93Å
109	Q	55.3	Low	58.1	Low	200 Å²	200	99.3 Å²	99.3	94%	0.935	53%	0.532	S	S	*	.			trans	-67.3	71.8	172.8	-68.7	-163.7	-6.5	0	0	108.3	C107 T111	C107-Q109 PolarHBondContact O-N 3.37Å; Q109-T111 PolarHBondContact O-N 3.06Å
110	S	51.7	Low	61.5	Low	60 Å²	60	90.1 Å²	90.1	42%	0.42	50%	0.497	S	S	.	.			trans	-62.1	122.7	173.5	170.4	0	0	0	0	106.5	P108 S112	P108-S110 PolarHBondContact O-N 2.93Å; S110-S112 PolarHBondContact O-N 2.9Å; S110-S112 VanDerWaalsContact O-N 3.08Å
111	T	47.4	Very low	64.9	Low	111 Å²	111	90.6 Å²	90.6	68%	0.681	49%	0.489	S	S	*	.	S	Bend	trans	-50.8	108.9	-176.5	49.2	0	0	0	0	111.1	Q109 K113	Q109-T111 PolarHBondContact O-N 3.06Å; T111-K113 PolarHBondContact O-N 3.25Å
112	S	50.1	Low	68.1	Low	131 Å²	131	82.5 Å²	82.5	92%	0.916	45%	0.447	S	S	*	.	S	Bend	trans	43.2	10.7	161.3	68.1	0	0	0	0	119.6	S110	S110-S112 PolarHBondContact O-N 2.9Å; S110-S112 VanDerWaalsContact O-N 3.08Å
113	K	60.1	Low	71.2	Confident	148 Å²	148	80.6 Å²	80.6	64%	0.643	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-83.4	122.5	175.8	-77.5	-175.6	-179.9	178.3	0	107.6	T111 K115	T111-K113 PolarHBondContact O-N 3.25Å; K113-K115 PolarHBondContact O-N 3.49Å
114	Q	66.5	Low	74.1	Confident	132 Å²	132	75 Å²	75	62%	0.617	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-55.1	120.7	175.5	-167.6	164.1	26.9	0	0	109	P557	Q114-P557 HydrophobicContact CG-CB 3.6Å
115	K	79.8	Confident	76.6	Confident	89 Å²	89	80 Å²	80	39%	0.387	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-62.2	141.1	-178.3	-71.2	179.6	172.1	-170.3	0	110.7	K113 Q558	K113-K115 PolarHBondContact O-N 3.49Å; K115-Q558 HydrophobicContact CB-CB 4.03Å; K115-Q558 WeakPolarHBondContact O-CB 3.37Å; K115-Q558 PolarHBondContact O-N 2.81Å; K115-Q558 VanDerWaalsContact O-N 3.15Å
116	N	88	Confident	78.8	Confident	51 Å²	51	76.1 Å²	76.1	27%	0.273	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.2	-178.9	-166.3	-8.1	0	0	0	110.2	F118 G388	N116-F118 VanDerWaalsContact C-N 3.26Å; N116-F118 HydrophobicContact CB-CE1 4.45Å; N116-F118 WeakPolarHBondContact OD1-CA 3.28Å; N116-F118 PolarHBondContact OD1-N 2.93Å; N116-G388 VanDerWaalsContact CB-O 3.32Å; N116-G388 WeakPolarHBondContact CB-O 3.38Å; N116-G388 PolarHBondContact N-O 3.19Å; N116-G388 VanDerWaalsContact N-O 3.08Å; N116-G388 VanDerWaalsContact O-CA 3.3Å; N116-G388 WeakPolarHBondContact O-CA 3.18Å
117	T	93.4	Very high	80.7	Confident	10 Å²	10	71.6 Å²	71.6	6%	0.061	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	0.2	170.7	68.2	0	0	0	0	112.6	L119 D146 V148 V556 Q558	T117-L119 PolarHBondContact O-N 3.42Å; T117-L119 VanDerWaalsContact OG1-CB 3.26Å; T117-L119 WeakPolarHBondContact OG1-CB 3.21Å; T117-L119 PolarHBondContact OG1-N 2.88Å; T117-D146 HydrophobicContact CG2-CB 3.84Å; T117-V148 HydrophobicContact CG2-CG1 4.27Å; T117-V556 PolarHBondContact OG1-O 2.8Å; T117-Q558 VanDerWaalsContact CG2-CA 3.45Å; T117-Q558 HydrophobicContact CG2-CB 3.89Å
118	F	94.9	Very high	82	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.026	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52	32.6	-168	-54.1	-77.2	0	0	0	112.9	N116 W120 F131 G132 Y385 L390 A532 I536	N116-F118 VanDerWaalsContact C-N 3.26Å; N116-F118 HydrophobicContact CB-CE1 4.45Å; N116-F118 WeakPolarHBondContact OD1-CA 3.28Å; N116-F118 PolarHBondContact OD1-N 2.93Å; F118-W120 HydrophobicContact CB-CH2 4.26Å; F118-W120 HydrophobicContact CB-CZ3 4.26Å; F118-W120 HydrophobicContact CD1-CH2 4.41Å; F118-W120 WeakPolarHBondContact O-CZ3 3.32Å; F118-F131 HydrophobicContact CB-CE2 4.35Å; F118-F131 CarbonylContact O-C 3.57Å; F118-F131 VanDerWaalsContact O-CA 3.29Å; F118-F131 WeakPolarHBondContact O-CA 3.5Å; F118-F131 VanDerWaalsContact O-CD2 3.24Å; F118-F131 WeakPolarHBondContact O-CD2 3.27Å; F118-G132 PolarHBondContact O-N 3.24Å; F118-Y385 HydrophobicContact CD2-CD2 4.06Å; F118-Y385 AromaticContact CD2-CE2 3.65Å; F118-Y385 HydrophobicContact CD2-CE2 3.65Å; F118-Y385 AromaticContact CE2-CD2 3.78Å; F118-Y385 HydrophobicContact CE2-CD2 3.78Å; F118-Y385 AromaticContact CE2-CE2 3.88Å; F118-Y385 HydrophobicContact CE2-CE2 3.88Å; F118-Y385 HydrophobicContact CE2-CG 4.31Å; F118-Y385 WeakPolarHBondContact CE2-O 3.01Å; F118-Y385 HydrophobicContact CG-CE2 4.13Å; F118-Y385 HydrophobicContact CZ-CD2 4.22Å; F118-L390 HydrophobicContact CD1-CD1 4.45Å; F118-L390 HydrophobicContact CE1-CB 4.27Å; F118-L390 HydrophobicContact CE1-CD1 3.65Å; F118-L390 HydrophobicContact CE1-CG 3.84Å; F118-L390 HydrophobicContact CZ-CB 4.37Å; F118-L390 HydrophobicContact CZ-CD1 3.88Å; F118-L390 HydrophobicContact CZ-CG 3.68Å; F118-A532 HydrophobicContact CD1-CB 4.44Å; F118-I536 HydrophobicContact CD1-CD1 4.46Å; F118-I536 HydrophobicContact CE1-CD1 4.09Å
119	L	97.5	Very high	83.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.3	179.5	-174.6	75.3	0	0	0	110	T117 F129 L130 F131 V148 V149 F527 V556	T117-L119 PolarHBondContact O-N 3.42Å; T117-L119 VanDerWaalsContact OG1-CB 3.26Å; T117-L119 WeakPolarHBondContact OG1-CB 3.21Å; T117-L119 PolarHBondContact OG1-N 2.88Å; L119-F129 HydrophobicContact CD1-CB 4.18Å; L119-F129 HydrophobicContact CD1-CD1 4.24Å; L119-F129 HydrophobicContact CD2-CD1 4.44Å; L119-F129 HydrophobicContact CG-CD1 4.44Å; L119-L130 CarbonylContact C-O 3.55Å; L119-L130 WeakPolarHBondContact CA-O 3.32Å; L119-F131 HydrophobicContact CD1-CB 4.1Å; L119-F131 HydrophobicContact CD1-CD2 4.44Å; L119-V148 HydrophobicContact CD2-CG1 3.97Å; L119-V148 HydrophobicContact CD2-CG2 4.43Å; L119-V149 HydrophobicContact CB-CG2 4.07Å; L119-V149 HydrophobicContact CD2-CG2 4.21Å; L119-F527 HydrophobicContact CD1-CE2 4.04Å; L119-F527 HydrophobicContact CD1-CZ 4.38Å; L119-V556 HydrophobicContact CB-CB 4.15Å; L119-V556 HydrophobicContact CB-CG2 4.4Å; L119-V556 HydrophobicContact CD2-CB 4.02Å; L119-V556 HydrophobicContact CD2-CG1 4.2Å; L119-V556 HydrophobicContact CD2-CG2 3.86Å; L119-V556 HydrophobicContact CG-CB 4.27Å; L119-V556 HydrophobicContact CG-CG2 4.04Å; L119-V556 PolarHBondContact O-N 3.44Å
120	W	98.1	Very high	85.9	Confident	15 Å²	15	56.9 Å²	56.9	6%	0.057	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.8	174.2	-59.7	-101.3	0	0	0	110.5	F118 F129 L130 F535 I543 I553 I554 P555	F118-W120 HydrophobicContact CB-CH2 4.26Å; F118-W120 HydrophobicContact CB-CZ3 4.26Å; F118-W120 HydrophobicContact CD1-CH2 4.41Å; F118-W120 WeakPolarHBondContact O-CZ3 3.32Å; W120-F129 CarbonylContact O-C 3.57Å; W120-F129 VanDerWaalsContact O-CA 3.29Å; W120-F129 WeakPolarHBondContact O-CA 2.95Å; W120-L130 HydrophobicContact CB-CB 4.3Å; W120-L130 HydrophobicContact CE3-CB 4.31Å; W120-L130 PolarHBondContact N-O 3.33Å; W120-L130 PolarHBondContact O-N 3.04Å; W120-F535 HydrophobicContact CE3-CB 4.49Å; W120-F535 HydrophobicContact CE3-CD1 4.48Å; W120-F535 HydrophobicContact CE3-CD2 4.38Å; W120-F535 HydrophobicContact CE3-CG 4.2Å; W120-F535 HydrophobicContact CH2-CB 3.41Å; W120-F535 VanDerWaalsContact CH2-CB 3.41Å; W120-F535 HydrophobicContact CH2-CD2 4.01Å; W120-F535 AromaticContact CH2-CG 3.84Å; W120-F535 HydrophobicContact CH2-CG 3.84Å; W120-F535 HydrophobicContact CZ2-CB 3.87Å; W120-F535 HydrophobicContact CZ3-CB 3.75Å; W120-F535 HydrophobicContact CZ3-CD1 4.32Å; W120-F535 AromaticContact CZ3-CD2 3.57Å; W120-F535 HydrophobicContact CZ3-CD2 3.57Å; W120-F535 HydrophobicContact CZ3-CE2 4.23Å; W120-F535 AromaticContact CZ3-CG 3.61Å; W120-F535 HydrophobicContact CZ3-CG 3.61Å; W120-I543 HydrophobicContact CD2-CD1 3.95Å; W120-I543 HydrophobicContact CG-CD1 4.08Å; W120-I543 HydrophobicContact CZ2-CD1 4.04Å; W120-I553 HydrophobicContact CB-CG2 3.69Å; W120-I553 HydrophobicContact CG-CG2 4.13Å; W120-I554 CarbonylContact C-O 3.13Å; W120-I554 WeakPolarHBondContact CA-O 3.46Å; W120-P555 VanDerWaalsContact CD1-CA 3.43Å
121	K	98.3	Very high	88.1	Confident	90 Å²	90	54.1 Å²	54.1	39%	0.391	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.3	170.6	-73.1	177.2	-179.7	-178	0	109.9	T127 F129 I553 I554 V556	K121-T127 HydrophobicContact CB-CG2 4.26Å; K121-T127 HydrophobicContact CG-CG2 4.29Å; K121-F129 HydrophobicContact CD-CE1 4.31Å; K121-F129 HydrophobicContact CG-CD1 3.9Å; K121-F129 HydrophobicContact CG-CE1 3.61Å; K121-I553 WeakPolarHBondContact O-CA 3.3Å; K121-I554 PolarHBondContact N-O 3.46Å; K121-I554 PolarHBondContact O-N 3.36Å; K121-V556 HydrophobicContact CD-CG2 4.13Å; K121-V556 HydrophobicContact CG-CG2 3.77Å
122	I	98.4	Very high	90.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.3	168.9	-48.4	173	0	0	0	107.3	T124 T127 S128 L130 L516 Y551	I122-T124 HydrophobicContact CB-CG2 4.46Å; I122-T124 HydrophobicContact CG2-CG2 3.74Å; I122-T124 PolarHBondContact O-N 2.96Å; I122-T124 PolarHBondContact O-OG1 3.43Å; I122-T127 WeakPolarHBondContact O-CG2 3.38Å; I122-S128 PolarHBondContact N-O 2.97Å; I122-S128 PolarHBondContact O-N 3.38Å; I122-L130 HydrophobicContact CD1-CD1 4.31Å; I122-L130 HydrophobicContact CD1-CD2 3.84Å; I122-L130 HydrophobicContact CD1-CG 3.8Å; I122-L130 HydrophobicContact CG1-CD1 4.35Å; I122-L130 HydrophobicContact CG1-CG 4.06Å; I122-L516 HydrophobicContact CD1-CD1 4.02Å; I122-L516 HydrophobicContact CD1-CD2 3.97Å; I122-L516 HydrophobicContact CG2-CD1 4.36Å; I122-Y551 HydrophobicContact CG2-CD1 3.65Å; I122-Y551 HydrophobicContact CG2-CE1 4.46Å; I122-Y551 HydrophobicContact CG2-CG 4.18Å
123	S	94.8	Very high	92.7	Very high	63 Å²	63	42.7 Å²	42.7	44%	0.441	21%	0.209	S	C	.	.			trans	-76.8	49.6	-175.5	-51.9	0	0	0	0	113.6	I552	S123-I552 PolarHBondContact N-O 3Å; S123-I552 PolarHBondContact OG-O 3.21Å; S123-I552 VanDerWaalsContact OG-O 3.06Å
124	T	97.2	Very high	94.2	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.037	18%	0.183	C	C	.	.			trans	-82.3	169.5	171.5	54.8	0	0	0	0	110.8	I122 P126 T127 S128 L516 E520 Y551	I122-T124 HydrophobicContact CB-CG2 4.46Å; I122-T124 HydrophobicContact CG2-CG2 3.74Å; I122-T124 PolarHBondContact O-N 2.96Å; I122-T124 PolarHBondContact O-OG1 3.43Å; T124-P126 VanDerWaalsContact C-C 3.48Å; T124-P126 CarbonylContact C-O 3.43Å; T124-P126 WeakPolarHBondContact CB-O 3.47Å; T124-P126 CarbonylContact O-C 3.47Å; T124-P126 PolarHBondContact OG1-O 2.65Å; T124-T127 WeakPolarHBondContact O-CA 3.39Å; T124-T127 PolarHBondContact O-N 2.94Å; T124-S128 WeakPolarHBondContact OG1-CB 3.35Å; T124-S128 PolarHBondContact OG1-N 3.44Å; T124-S128 PolarHBondContact OG1-OG 2.81Å; T124-L516 HydrophobicContact CG2-CD2 4.15Å; T124-E520 WeakPolarHBondContact CA-OE1 3.27Å; T124-E520 VanDerWaalsContact CB-OE1 3.28Å; T124-E520 WeakPolarHBondContact CB-OE1 3.5Å; T124-E520 HydrophobicContact CG2-CG 4.36Å; T124-E520 WeakPolarHBondContact CG2-OE1 3.08Å; T124-Y551 HydrophobicContact CG2-CD1 4.09Å; T124-Y551 HydrophobicContact CG2-CE1 3.81Å
125	K	95.5	Very high	95.3	Very high	176 Å²	176	33.4 Å²	33.4	77%	0.765	17%	0.168	S	C	*	.	S	Bend	trans	-120.6	105.4	174.4	-67.3	-178.9	-177.7	177.3	0	110.6	E520	K125-E520 PolarHBondContact N-OE1 3.47Å
126	P	97.4	Very high	95.8	Very high	44 Å²	44	29.8 Å²	29.8	29%	0.286	15%	0.154	S	C	.	.	S	Bend	cis	-70.7	167.2	-3.7	32.3	-37.9	0	0	0	113.4	T124 S128 Q524	T124-P126 VanDerWaalsContact C-C 3.48Å; T124-P126 CarbonylContact C-O 3.43Å; T124-P126 WeakPolarHBondContact CB-O 3.47Å; T124-P126 CarbonylContact O-C 3.47Å; T124-P126 PolarHBondContact OG1-O 2.65Å; P126-S128 PolarHBondContact O-N 3.07Å; P126-Q524 WeakPolarHBondContact CG-O 3.22Å
127	T	98.3	Very high	96	Very high	58 Å²	58	27.7 Å²	27.7	36%	0.356	14%	0.143	S	C	.	.			trans	-62.9	132.7	-177.3	-58.7	0	0	0	0	112	K121 I122 T124 F129 S525	K121-T127 HydrophobicContact CB-CG2 4.26Å; K121-T127 HydrophobicContact CG-CG2 4.29Å; I122-T127 WeakPolarHBondContact O-CG2 3.38Å; T124-T127 WeakPolarHBondContact O-CA 3.39Å; T124-T127 PolarHBondContact O-N 2.94Å; T127-F129 HydrophobicContact CG2-CE1 4.39Å; T127-F129 HydrophobicContact CG2-CE2 4.29Å; T127-F129 HydrophobicContact CG2-CZ 4.02Å; T127-S525 WeakPolarHBondContact O-CB 3.25Å
128	S	98.7	Very high	96.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	166.1	175.5	-61.8	0	0	0	0	111	I122 T124 P126 A526	I122-S128 PolarHBondContact N-O 2.97Å; I122-S128 PolarHBondContact O-N 3.38Å; T124-S128 WeakPolarHBondContact OG1-CB 3.35Å; T124-S128 PolarHBondContact OG1-N 3.44Å; T124-S128 PolarHBondContact OG1-OG 2.81Å; P126-S128 PolarHBondContact O-N 3.07Å; S128-A526 CarbonylContact C-O 3.54Å; S128-A526 WeakPolarHBondContact CA-O 3.36Å; S128-A526 WeakPolarHBondContact CB-O 3.38Å; S128-A526 PolarHBondContact OG-N 2.76Å; S128-A526 VanDerWaalsContact OG-N 3.11Å
129	F	98.8	Very high	96.1	Very high	3 Å²	3	32 Å²	32	1%	0.013	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.6	-171.3	-59.4	-92.6	0	0	0	112.5	L119 W120 K121 T127 S152 Q155 A526 F527 F528	L119-F129 HydrophobicContact CD1-CB 4.18Å; L119-F129 HydrophobicContact CD1-CD1 4.24Å; L119-F129 HydrophobicContact CD2-CD1 4.44Å; L119-F129 HydrophobicContact CG-CD1 4.44Å; W120-F129 CarbonylContact O-C 3.57Å; W120-F129 VanDerWaalsContact O-CA 3.29Å; W120-F129 WeakPolarHBondContact O-CA 2.95Å; K121-F129 HydrophobicContact CD-CE1 4.31Å; K121-F129 HydrophobicContact CG-CD1 3.9Å; K121-F129 HydrophobicContact CG-CE1 3.61Å; T127-F129 HydrophobicContact CG2-CE1 4.39Å; T127-F129 HydrophobicContact CG2-CE2 4.29Å; T127-F129 HydrophobicContact CG2-CZ 4.02Å; F129-S152 WeakPolarHBondContact CE1-OG 3.48Å; F129-Q155 HydrophobicContact CE2-CG 4.46Å; F129-A526 PolarHBondContact N-O 3.07Å; F129-F527 HydrophobicContact CB-CD2 3.72Å; F129-F527 HydrophobicContact CB-CE2 4.11Å; F129-F527 HydrophobicContact CB-CG 4.45Å; F129-F527 HydrophobicContact CD2-CD2 4.44Å; F129-F527 HydrophobicContact CG-CD2 4.3Å; F129-F528 WeakPolarHBondContact O-CD2 3.4Å; F129-F528 PolarHBondContact O-N 2.69Å
130	L	98.7	Very high	95.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.7	165.2	-55.1	168.8	0	0	0	108	L119 W120 I122 F528 F535 I542 I543 L546 I553	L119-L130 CarbonylContact C-O 3.55Å; L119-L130 WeakPolarHBondContact CA-O 3.32Å; W120-L130 HydrophobicContact CB-CB 4.3Å; W120-L130 HydrophobicContact CE3-CB 4.31Å; W120-L130 PolarHBondContact N-O 3.33Å; W120-L130 PolarHBondContact O-N 3.04Å; I122-L130 HydrophobicContact CD1-CD1 4.31Å; I122-L130 HydrophobicContact CD1-CD2 3.84Å; I122-L130 HydrophobicContact CD1-CG 3.8Å; I122-L130 HydrophobicContact CG1-CD1 4.35Å; I122-L130 HydrophobicContact CG1-CG 4.06Å; L130-F528 CarbonylContact C-O 3.57Å; L130-F528 HydrophobicContact CD2-CB 3.78Å; L130-F528 HydrophobicContact CD2-CD2 3.97Å; L130-F528 HydrophobicContact CD2-CG 4.04Å; L130-F535 HydrophobicContact CB-CE1 3.89Å; L130-F535 HydrophobicContact CB-CZ 4Å; L130-F535 HydrophobicContact CD1-CE1 4.01Å; L130-F535 HydrophobicContact CD2-CE1 4.41Å; L130-F535 HydrophobicContact CG-CE1 4.31Å; L130-I542 HydrophobicContact CD1-CG2 4.49Å; L130-I543 HydrophobicContact CD1-CG1 4.49Å; L130-L546 HydrophobicContact CD1-CD1 3.8Å; L130-L546 HydrophobicContact CD2-CD1 4.36Å; L130-I553 HydrophobicContact CD1-CD1 4.16Å
131	F	98.5	Very high	95.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.1	177.3	176.3	-120.5	0	0	0	111.1	F118 L119 T133 I145 V149 L260 L264 Y385 F527 F528 L530	F118-F131 HydrophobicContact CB-CE2 4.35Å; F118-F131 CarbonylContact O-C 3.57Å; F118-F131 VanDerWaalsContact O-CA 3.29Å; F118-F131 WeakPolarHBondContact O-CA 3.5Å; F118-F131 VanDerWaalsContact O-CD2 3.24Å; F118-F131 WeakPolarHBondContact O-CD2 3.27Å; L119-F131 HydrophobicContact CD1-CB 4.1Å; L119-F131 HydrophobicContact CD1-CD2 4.44Å; F131-T133 HydrophobicContact CD1-CG2 3.84Å; F131-T133 HydrophobicContact CE1-CG2 3.83Å; F131-I145 HydrophobicContact CZ-CD1 4.05Å; F131-I145 HydrophobicContact CZ-CG1 4.31Å; F131-I145 HydrophobicContact CZ-CG2 4.39Å; F131-V149 HydrophobicContact CD1-CG1 4.1Å; F131-V149 HydrophobicContact CD2-CB 4.49Å; F131-V149 HydrophobicContact CD2-CG1 3.51Å; F131-V149 HydrophobicContact CD2-CG2 4.12Å; F131-V149 HydrophobicContact CE1-CG1 4.06Å; F131-V149 HydrophobicContact CE2-CB 4.36Å; F131-V149 HydrophobicContact CE2-CG1 3.51Å; F131-V149 HydrophobicContact CE2-CG2 3.95Å; F131-V149 HydrophobicContact CG-CG1 3.84Å; F131-V149 HydrophobicContact CZ-CG1 3.79Å; F131-L260 HydrophobicContact CE1-CD2 4.28Å; F131-L264 HydrophobicContact CD1-CD1 4.27Å; F131-L264 HydrophobicContact CE1-CD1 4.13Å; F131-Y385 WeakPolarHBondContact CZ-OH 3.39Å; F131-F527 HydrophobicContact CB-CE1 3.57Å; F131-F527 HydrophobicContact CB-CE2 4.3Å; F131-F527 HydrophobicContact CB-CZ 3.36Å; F131-F527 HydrophobicContact CD1-CE1 4.09Å; F131-F527 HydrophobicContact CD1-CZ 4.05Å; F131-F527 HydrophobicContact CG-CE1 4.18Å; F131-F527 AromaticContact CG-CZ 3.84Å; F131-F527 HydrophobicContact CG-CZ 3.84Å; F131-F528 PolarHBondContact N-O 3.46Å; F131-L530 PolarHBondContact O-N 3.38Å
132	G	97.2	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	104.4	177.4	0	0	0	0	0	112.6	F118 Y385 L530	F118-G132 PolarHBondContact O-N 3.24Å; G132-Y385 WeakPolarHBondContact O-CE2 3.44Å; G132-Y385 PolarHBondContact O-OH 3.48Å; G132-L530 CarbonylContact C-O 3.47Å; G132-L530 VanDerWaalsContact CA-O 3.23Å; G132-L530 WeakPolarHBondContact CA-O 3.18Å
133	T	96.6	Very high	95.5	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	161	175.2	60.2	0	0	0	0	112.1	F131 L260 D261 L264 A529 L530 A532	F131-T133 HydrophobicContact CD1-CG2 3.84Å; F131-T133 HydrophobicContact CE1-CG2 3.83Å; T133-L260 HydrophobicContact CG2-CD2 4.19Å; T133-L260 HydrophobicContact CG2-CG 4.48Å; T133-D261 WeakPolarHBondContact CB-OD1 3.33Å; T133-D261 PolarHBondContact OG1-OD1 3.28Å; T133-L264 HydrophobicContact CG2-CD1 4.06Å; T133-A529 HydrophobicContact CG2-CB 3.88Å; T133-L530 PolarHBondContact N-O 3.39Å; T133-L530 PolarHBondContact OG1-O 3.11Å; T133-A532 WeakPolarHBondContact O-CB 3.34Å; T133-A532 PolarHBondContact O-N 3.42Å
134	L	91.8	Very high	95.4	Very high	20 Å²	20	35.2 Å²	35.2	11%	0.105	18%	0.181	C	C	.	.			trans	-120.4	130.9	167.1	-177.4	65.2	0	0	0	108.4	V136 L381 I382 Y385	L134-V136 HydrophobicContact CB-CG2 4.23Å; L134-V136 HydrophobicContact CD2-CG1 4Å; L134-V136 HydrophobicContact CD2-CG2 3.78Å; L134-V136 HydrophobicContact CG-CB 4.48Å; L134-V136 HydrophobicContact CG-CG1 3.93Å; L134-V136 HydrophobicContact CG-CG2 3.85Å; L134-V136 PolarHBondContact O-N 3.46Å; L134-L381 HydrophobicContact CD1-CD2 3.6Å; L134-L381 HydrophobicContact CD1-CG 3.89Å; L134-L381 HydrophobicContact CD2-CG 4.24Å; L134-I382 HydrophobicContact CD2-CG1 4.01Å; L134-Y385 HydrophobicContact CB-CD1 4.48Å; L134-Y385 HydrophobicContact CB-CD2 4.05Å; L134-Y385 HydrophobicContact CB-CE2 4.09Å; L134-Y385 HydrophobicContact CB-CG 4.24Å; L134-Y385 HydrophobicContact CD2-CD1 4.48Å; L134-Y385 HydrophobicContact CD2-CD2 4.5Å; L134-Y385 HydrophobicContact CD2-CG 4.07Å
135	H	90.2	Very high	95.3	Very high	64 Å²	64	35.3 Å²	35.3	30%	0.296	18%	0.182	S	C	.	.	S	Bend	trans	-78	64.3	-176.7	-164.7	72.2	0	0	0	112.5	D261 I618	H135-D261 IonicContact CE1-OD2 3.06Å; H135-D261 IonicContact CG-OD2 2.85Å; H135-D261 IonicContact ND1-OD2 3.35Å; H135-D261 PolarHBondContact ND1-OD2 3.44Å; H135-I618 PolarHBondContact NE2-N 2.82Å
136	V	90.3	Very high	95.2	Very high	14 Å²	14	27.7 Å²	27.7	9%	0.085	15%	0.149	C	C	.	.	S	Bend	trans	-132.2	164.3	178.8	-65.4	0	0	0	0	109.4	L134 Y138 V141 V259 L260 T378 I382	L134-V136 HydrophobicContact CB-CG2 4.23Å; L134-V136 HydrophobicContact CD2-CG1 4Å; L134-V136 HydrophobicContact CD2-CG2 3.78Å; L134-V136 HydrophobicContact CG-CB 4.48Å; L134-V136 HydrophobicContact CG-CG1 3.93Å; L134-V136 HydrophobicContact CG-CG2 3.85Å; L134-V136 PolarHBondContact O-N 3.46Å; V136-Y138 PolarHBondContact O-N 2.76Å; V136-V141 HydrophobicContact CG2-CG1 3.81Å; V136-V141 HydrophobicContact CG2-CG2 4.37Å; V136-V259 CarbonylContact O-C 3.52Å; V136-V259 WeakPolarHBondContact O-CA 3.49Å; V136-L260 PolarHBondContact O-N 3.05Å; V136-T378 HydrophobicContact CG1-CG2 4.01Å; V136-I382 HydrophobicContact CB-CD1 4.24Å; V136-I382 HydrophobicContact CB-CG1 4.37Å; V136-I382 HydrophobicContact CG1-CD1 4.02Å; V136-I382 HydrophobicContact CG1-CG1 3.98Å; V136-I382 HydrophobicContact CG2-CD1 4.44Å; V136-I382 HydrophobicContact CG2-CG1 4.18Å
137	A	91.9	Very high	95.1	Very high	6 Å²	6	30.2 Å²	30.2	5%	0.05	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-51.5	128.6	174.2	0	0	0	0	0	110.5	T139 H140 D254 V257	A137-T139 PolarHBondContact O-N 3.47Å; A137-H140 PolarHBondContact O-N 2.97Å; A137-D254 HydrophobicContact CB-CB 3.94Å; A137-V257 HydrophobicContact CB-CB 4.03Å; A137-V257 HydrophobicContact CB-CG1 3.76Å
138	Y	95.2	Very high	95	Very high	35 Å²	35	28.8 Å²	28.8	14%	0.137	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-58.6	-29.1	-171.7	82.3	-80.2	0	0	0	112.1	V136 H140 V141 W142 V257 P258 F263	V136-Y138 PolarHBondContact O-N 2.76Å; Y138-H140 PolarHBondContact O-N 3.18Å; Y138-V141 PolarHBondContact O-N 3.14Å; Y138-V141 VanDerWaalsContact O-N 3.1Å; Y138-W142 HydrophobicContact CD2-CB 3.87Å; Y138-W142 HydrophobicContact CD2-CG 4.09Å; Y138-W142 WeakPolarHBondContact O-CB 3.28Å; Y138-W142 PolarHBondContact O-N 2.81Å; Y138-V257 HydrophobicContact CD1-CG1 3.83Å; Y138-V257 HydrophobicContact CE1-CG1 3.83Å; Y138-P258 HydrophobicContact CD1-CB 4.47Å; Y138-P258 WeakPolarHBondContact CD1-O 3.44Å; Y138-P258 PolarHBondContact N-O 3.45Å; Y138-F263 HydrophobicContact CD1-CB 4.26Å; Y138-F263 HydrophobicContact CD1-CD2 4.08Å; Y138-F263 HydrophobicContact CD1-CG 4.2Å; Y138-F263 AromaticContact CD2-CD1 3.99Å; Y138-F263 HydrophobicContact CD2-CD1 3.99Å; Y138-F263 AromaticContact CD2-CD2 3.88Å; Y138-F263 HydrophobicContact CD2-CD2 3.88Å; Y138-F263 HydrophobicContact CD2-CE1 4.06Å; Y138-F263 AromaticContact CD2-CE2 3.96Å; Y138-F263 HydrophobicContact CD2-CE2 3.96Å; Y138-F263 AromaticContact CD2-CG 3.9Å; Y138-F263 HydrophobicContact CD2-CG 3.9Å; Y138-F263 HydrophobicContact CD2-CZ 4.05Å; Y138-F263 HydrophobicContact CE1-CD2 4.2Å; Y138-F263 HydrophobicContact CE2-CD2 4.02Å; Y138-F263 AromaticContact CE2-CE2 3.79Å; Y138-F263 HydrophobicContact CE2-CE2 3.79Å; Y138-F263 HydrophobicContact CE2-CG 4.49Å; Y138-F263 HydrophobicContact CE2-CZ 4.07Å; Y138-F263 HydrophobicContact CG-CB 4.01Å; Y138-F263 HydrophobicContact CG-CD1 4.14Å; Y138-F263 AromaticContact CG-CD2 3.93Å; Y138-F263 HydrophobicContact CG-CD2 3.93Å; Y138-F263 HydrophobicContact CG-CE2 4.46Å; Y138-F263 AromaticContact CG-CG 3.74Å; Y138-F263 HydrophobicContact CG-CG 3.74Å
139	T	94.3	Very high	94.9	Very high	71 Å²	71	29 Å²	29	44%	0.436	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-58.2	-26.6	177.8	48.1	0	0	0	0	114	A137 V141 V257	A137-T139 PolarHBondContact O-N 3.47Å; T139-V141 VanDerWaalsContact C-N 3.32Å; T139-V257 HydrophobicContact CG2-CG1 4.04Å
140	H	93.6	Very high	94.9	Very high	55 Å²	55	31.6 Å²	31.6	26%	0.255	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-78	-17.6	179.5	-65.9	-45.1	0	0	0	113.9	A137 Y138 D254 I382 N386	A137-H140 PolarHBondContact O-N 2.97Å; Y138-H140 PolarHBondContact O-N 3.18Å; H140-D254 IonicContact CD2-OD2 3.38Å; H140-D254 PolarHBondContact CD2-OD2 3.06Å; H140-D254 IonicContact CE1-OD1 3.2Å; H140-D254 IonicContact CE1-OD2 2.8Å; H140-D254 IonicContact NE2-OD1 2.97Å; H140-D254 PolarHBondContact NE2-OD1 3.46Å; H140-D254 IonicContact NE2-OD2 3.18Å; H140-D254 PolarHBondContact NE2-OD2 2.99Å; H140-I382 HydrophobicContact CB-CD1 4.1Å; H140-I382 HydrophobicContact CB-CG2 4.05Å; H140-N386 PolarHBondContact O-ND2 2.94Å
141	V	95	Very high	94.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-23.6	-169.9	-62.1	0	0	0	0	113.6	V136 Y138 T139 S143 Q144 I145 L260 I382 Y385 N386	V136-V141 HydrophobicContact CG2-CG1 3.81Å; V136-V141 HydrophobicContact CG2-CG2 4.37Å; Y138-V141 PolarHBondContact O-N 3.14Å; Y138-V141 VanDerWaalsContact O-N 3.1Å; T139-V141 VanDerWaalsContact C-N 3.32Å; V141-S143 VanDerWaalsContact C-N 3.35Å; V141-S143 PolarHBondContact O-N 2.96Å; V141-Q144 PolarHBondContact O-N 2.95Å; V141-Q144 VanDerWaalsContact O-N 3.07Å; V141-Q144 PolarHBondContact O-OE1 2.8Å; V141-I145 HydrophobicContact CG2-CD1 4.3Å; V141-I145 WeakPolarHBondContact O-CG1 3.36Å; V141-I145 PolarHBondContact O-N 2.85Å; V141-L260 HydrophobicContact CG2-CB 4.39Å; V141-L260 HydrophobicContact CG2-CD1 4.35Å; V141-L260 HydrophobicContact CG2-CD2 3.99Å; V141-L260 HydrophobicContact CG2-CG 4.48Å; V141-I382 HydrophobicContact CG1-CG2 4.37Å; V141-Y385 HydrophobicContact CB-CD1 4.2Å; V141-Y385 HydrophobicContact CB-CE1 4.08Å; V141-Y385 HydrophobicContact CG1-CD1 3.84Å; V141-Y385 HydrophobicContact CG1-CE1 4.16Å; V141-N386 WeakPolarHBondContact CA-OD1 3.5Å
142	W	96.2	Very high	94.8	Very high	46 Å²	46	34.1 Å²	34.1	17%	0.174	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-36.4	-170.1	-177.1	-111.3	0	0	0	114.1	Y138 Q144 I145 K150 L260 F263 L264	Y138-W142 HydrophobicContact CD2-CB 3.87Å; Y138-W142 HydrophobicContact CD2-CG 4.09Å; Y138-W142 WeakPolarHBondContact O-CB 3.28Å; Y138-W142 PolarHBondContact O-N 2.81Å; W142-Q144 VanDerWaalsContact C-N 3.26Å; W142-Q144 PolarHBondContact O-N 3.28Å; W142-I145 HydrophobicContact CE3-CD1 3.93Å; W142-I145 HydrophobicContact CZ3-CD1 4.4Å; W142-K150 HydrophobicContact CH2-CD 4.23Å; W142-K150 HydrophobicContact CH2-CG 3.87Å; W142-K150 HydrophobicContact CZ2-CD 4.01Å; W142-K150 HydrophobicContact CZ2-CG 4.15Å; W142-K150 HydrophobicContact CZ3-CG 4.42Å; W142-K150 WeakPolarHBondContact O-CE 3.41Å; W142-K150 PolarHBondContact O-NZ 3.08Å; W142-L260 HydrophobicContact CE3-CD1 4.1Å; W142-F263 AromaticContact CD2-CE1 3.89Å; W142-F263 HydrophobicContact CD2-CE1 3.89Å; W142-F263 HydrophobicContact CD2-CZ 4.5Å; W142-F263 AromaticContact CE2-CE1 3.95Å; W142-F263 HydrophobicContact CE3-CD1 4.3Å; W142-F263 AromaticContact CE3-CE1 3.78Å; W142-F263 HydrophobicContact CE3-CE1 3.78Å; W142-F263 AromaticContact CH2-CE1 3.87Å; W142-F263 HydrophobicContact CH2-CE1 3.87Å; W142-F263 AromaticContact CZ2-CE1 3.95Å; W142-F263 HydrophobicContact CZ2-CE1 3.95Å; W142-F263 HydrophobicContact CZ2-CZ 4.35Å; W142-F263 HydrophobicContact CZ3-CD1 4.38Å; W142-F263 AromaticContact CZ3-CE1 3.79Å; W142-F263 HydrophobicContact CZ3-CE1 3.79Å; W142-L264 HydrophobicContact CH2-CD2 4.43Å; W142-L264 HydrophobicContact CZ3-CD2 3.98Å
143	S	94.7	Very high	94.8	Very high	64 Å²	64	34.7 Å²	34.7	45%	0.448	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-28	178.3	73.1	0	0	0	0	112.2	V141	V141-S143 VanDerWaalsContact C-N 3.35Å; V141-S143 PolarHBondContact O-N 2.96Å
144	Q	94	Very high	94.9	Very high	71 Å²	71	36.3 Å²	36.3	33%	0.332	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-17.5	-178.7	-62.2	84.7	-12.5	0	0	113.3	V141 W142 D146 N386	V141-Q144 PolarHBondContact O-N 2.95Å; V141-Q144 VanDerWaalsContact O-N 3.07Å; V141-Q144 PolarHBondContact O-OE1 2.8Å; W142-Q144 VanDerWaalsContact C-N 3.26Å; W142-Q144 PolarHBondContact O-N 3.28Å; Q144-D146 PolarHBondContact O-N 2.8Å; Q144-N386 HydrophobicContact CB-CB 4.08Å; Q144-N386 HydrophobicContact CG-CB 3.97Å
145	I	94.2	Very high	95.1	Very high	9 Å²	9	41 Å²	41	5%	0.046	23%	0.228	C	C	.	.	S	Bend	trans	-60.5	124	172.4	-73.9	170	0	0	0	109.7	F131 V141 W142 V149 K150 L260	F131-I145 HydrophobicContact CZ-CD1 4.05Å; F131-I145 HydrophobicContact CZ-CG1 4.31Å; F131-I145 HydrophobicContact CZ-CG2 4.39Å; V141-I145 HydrophobicContact CG2-CD1 4.3Å; V141-I145 WeakPolarHBondContact O-CG1 3.36Å; V141-I145 PolarHBondContact O-N 2.85Å; W142-I145 HydrophobicContact CE3-CD1 3.93Å; W142-I145 HydrophobicContact CZ3-CD1 4.4Å; I145-V149 HydrophobicContact CG2-CB 3.73Å; I145-V149 HydrophobicContact CG2-CG1 3.87Å; I145-V149 HydrophobicContact CG2-CG2 4.2Å; I145-K150 HydrophobicContact CG2-CG 4.3Å; I145-K150 WeakPolarHBondContact O-CE 3.23Å; I145-K150 PolarHBondContact O-NZ 2.9Å; I145-L260 HydrophobicContact CD1-CD1 3.77Å; I145-L260 HydrophobicContact CD1-CD2 3.76Å; I145-L260 HydrophobicContact CD1-CG 4.44Å
146	D	94.3	Very high	95.5	Very high	15 Å²	15	38 Å²	38	8%	0.08	21%	0.214	C	C	.	.			trans	-57.9	136.9	-174.7	-167	-68.7	0	0	0	111.8	T117 Q144 V148 V149 K150 Q558	T117-D146 HydrophobicContact CG2-CB 3.84Å; Q144-D146 PolarHBondContact O-N 2.8Å; D146-V148 HydrophobicContact CB-CG1 4.18Å; D146-V148 PolarHBondContact O-N 3.03Å; D146-V148 WeakPolarHBondContact OD1-CB 3.29Å; D146-V148 WeakPolarHBondContact OD1-CG1 3.16Å; D146-V148 PolarHBondContact OD1-N 3.5Å; D146-V149 HydrophobicContact CB-CG2 4.28Å; D146-V149 WeakPolarHBondContact O-CB 3.32Å; D146-V149 PolarHBondContact O-N 3.11Å; D146-K150 PolarHBondContact O-N 3.32Å; D146-Q558 WeakPolarHBondContact OD2-CG 3.44Å
147	P	94.9	Very high	95.9	Very high	97 Å²	97	40.5 Å²	40.5	63%	0.63	23%	0.227	S	C	*	.	H	α-helix	trans	-51.7	-30.1	176.7	-28.8	35.9	0	0	0	114.5	V149 K150 A151	P147-V149 VanDerWaalsContact C-N 3.26Å; P147-V149 PolarHBondContact O-N 2.64Å; P147-K150 PolarHBondContact O-N 2.98Å; P147-A151 WeakPolarHBondContact O-CB 3.36Å; P147-A151 PolarHBondContact O-N 3.49Å
148	V	95.5	Very high	96.2	Very high	28 Å²	28	40.3 Å²	40.3	17%	0.17	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-32.8	177	77.6	0	0	0	0	112.3	T117 L119 D146 S152 V556	T117-V148 HydrophobicContact CG2-CG1 4.27Å; L119-V148 HydrophobicContact CD2-CG1 3.97Å; L119-V148 HydrophobicContact CD2-CG2 4.43Å; D146-V148 HydrophobicContact CB-CG1 4.18Å; D146-V148 PolarHBondContact O-N 3.03Å; D146-V148 WeakPolarHBondContact OD1-CB 3.29Å; D146-V148 WeakPolarHBondContact OD1-CG1 3.16Å; D146-V148 PolarHBondContact OD1-N 3.5Å; V148-S152 VanDerWaalsContact O-CB 3.28Å; V148-S152 WeakPolarHBondContact O-CB 3.3Å; V148-S152 PolarHBondContact O-N 2.85Å; V148-S152 PolarHBondContact O-OG 3.1Å; V148-V556 HydrophobicContact CG1-CG1 3.87Å; V148-V556 HydrophobicContact CG2-CG1 4.03Å
149	V	97.6	Very high	96.4	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.03	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-48.8	175.4	-179.2	0	0	0	0	109.6	L119 F131 I145 D146 P147 A151 S152 F153 F527	L119-V149 HydrophobicContact CB-CG2 4.07Å; L119-V149 HydrophobicContact CD2-CG2 4.21Å; F131-V149 HydrophobicContact CD1-CG1 4.1Å; F131-V149 HydrophobicContact CD2-CB 4.49Å; F131-V149 HydrophobicContact CD2-CG1 3.51Å; F131-V149 HydrophobicContact CD2-CG2 4.12Å; F131-V149 HydrophobicContact CE1-CG1 4.06Å; F131-V149 HydrophobicContact CE2-CB 4.36Å; F131-V149 HydrophobicContact CE2-CG1 3.51Å; F131-V149 HydrophobicContact CE2-CG2 3.95Å; F131-V149 HydrophobicContact CG-CG1 3.84Å; F131-V149 HydrophobicContact CZ-CG1 3.79Å; I145-V149 HydrophobicContact CG2-CB 3.73Å; I145-V149 HydrophobicContact CG2-CG1 3.87Å; I145-V149 HydrophobicContact CG2-CG2 4.2Å; D146-V149 HydrophobicContact CB-CG2 4.28Å; D146-V149 WeakPolarHBondContact O-CB 3.32Å; D146-V149 PolarHBondContact O-N 3.11Å; P147-V149 VanDerWaalsContact C-N 3.26Å; P147-V149 PolarHBondContact O-N 2.64Å; V149-A151 VanDerWaalsContact C-N 3.32Å; V149-A151 PolarHBondContact O-N 3.23Å; V149-S152 PolarHBondContact O-N 3.09Å; V149-F153 WeakPolarHBondContact O-CB 3.38Å; V149-F153 PolarHBondContact O-N 2.98Å; V149-F527 HydrophobicContact CG1-CZ 4.22Å
150	K	97.5	Very high	96.6	Very high	58 Å²	58	36.2 Å²	36.2	25%	0.252	20%	0.202	S	C	.	.	H	α-helix	trans	-60.2	-43.2	179.3	-61.6	175.1	-179.4	167.2	0	111.1	W142 I145 D146 P147 A154	W142-K150 HydrophobicContact CH2-CD 4.23Å; W142-K150 HydrophobicContact CH2-CG 3.87Å; W142-K150 HydrophobicContact CZ2-CD 4.01Å; W142-K150 HydrophobicContact CZ2-CG 4.15Å; W142-K150 HydrophobicContact CZ3-CG 4.42Å; W142-K150 WeakPolarHBondContact O-CE 3.41Å; W142-K150 PolarHBondContact O-NZ 3.08Å; I145-K150 HydrophobicContact CG2-CG 4.3Å; I145-K150 WeakPolarHBondContact O-CE 3.23Å; I145-K150 PolarHBondContact O-NZ 2.9Å; D146-K150 PolarHBondContact O-N 3.32Å; P147-K150 PolarHBondContact O-N 2.98Å; K150-A154 WeakPolarHBondContact O-CB 3.15Å; K150-A154 PolarHBondContact O-N 2.93Å
151	A	97.3	Very high	96.8	Very high	51 Å²	51	33.8 Å²	33.8	42%	0.421	19%	0.19	S	C	.	.	H	α-helix	trans	-64.3	-44.8	175.3	0	0	0	0	0	112.1	P147 V149 F153 A154 Q155	P147-A151 WeakPolarHBondContact O-CB 3.36Å; P147-A151 PolarHBondContact O-N 3.49Å; V149-A151 VanDerWaalsContact C-N 3.32Å; V149-A151 PolarHBondContact O-N 3.23Å; A151-F153 VanDerWaalsContact C-N 3.35Å; A151-F153 PolarHBondContact O-N 3.44Å; A151-A154 PolarHBondContact O-N 3.28Å; A151-Q155 WeakPolarHBondContact O-CG 3.24Å; A151-Q155 PolarHBondContact O-N 2.83Å
152	S	98.1	Very high	97	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.028	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-41.5	178.4	-58.8	0	0	0	0	111.7	F129 V148 V149 Q155 S156	F129-S152 WeakPolarHBondContact CE1-OG 3.48Å; V148-S152 VanDerWaalsContact O-CB 3.28Å; V148-S152 WeakPolarHBondContact O-CB 3.3Å; V148-S152 PolarHBondContact O-N 2.85Å; V148-S152 PolarHBondContact O-OG 3.1Å; V149-S152 PolarHBondContact O-N 3.09Å; S152-Q155 VanDerWaalsContact O-CG 3.22Å; S152-Q155 WeakPolarHBondContact O-CG 3.32Å; S152-S156 PolarHBondContact O-N 3.04Å; S152-S156 PolarHBondContact O-OG 3.05Å
153	F	98.5	Very high	97	Very high	13 Å²	13	33.7 Å²	33.7	6%	0.057	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-45.7	172.7	177.4	-87.2	0	0	0	112	V149 A151 Q155 S156 V159 L264 E267 A268 L271 K273 F527	V149-F153 WeakPolarHBondContact O-CB 3.38Å; V149-F153 PolarHBondContact O-N 2.98Å; A151-F153 VanDerWaalsContact C-N 3.35Å; A151-F153 PolarHBondContact O-N 3.44Å; F153-Q155 VanDerWaalsContact C-N 3.35Å; F153-Q155 PolarHBondContact O-N 2.84Å; F153-S156 PolarHBondContact O-N 2.73Å; F153-V159 HydrophobicContact CD2-CG1 4.4Å; F153-V159 HydrophobicContact CD2-CG2 4.42Å; F153-V159 HydrophobicContact CE2-CG1 3.84Å; F153-V159 HydrophobicContact CE2-CG2 3.96Å; F153-V159 HydrophobicContact CZ-CG2 4.37Å; F153-L264 HydrophobicContact CD2-CD2 4.16Å; F153-L264 HydrophobicContact CE2-CB 4.21Å; F153-L264 HydrophobicContact CE2-CD2 3.98Å; F153-L264 HydrophobicContact CZ-CD2 4.33Å; F153-L264 WeakPolarHBondContact CZ-O 3.29Å; F153-E267 HydrophobicContact CE1-CB 4.34Å; F153-E267 HydrophobicContact CE1-CG 3.87Å; F153-E267 HydrophobicContact CZ-CB 4.27Å; F153-E267 HydrophobicContact CZ-CG 4.31Å; F153-A268 HydrophobicContact CZ-CB 3.97Å; F153-L271 HydrophobicContact CE1-CD1 4.03Å; F153-K273 WeakPolarHBondContact O-CE 3.38Å; F153-F527 HydrophobicContact CB-CD2 4.16Å; F153-F527 HydrophobicContact CB-CE2 3.87Å; F153-F527 HydrophobicContact CB-CZ 4.05Å; F153-F527 AromaticContact CD2-CD1 3.94Å; F153-F527 HydrophobicContact CD2-CD1 3.94Å; F153-F527 AromaticContact CD2-CE1 3.93Å; F153-F527 HydrophobicContact CD2-CE1 3.93Å; F153-F527 HydrophobicContact CD2-CG 4.31Å; F153-F527 HydrophobicContact CD2-CZ 4.3Å
154	A	97.3	Very high	96.9	Very high	37 Å²	37	31.6 Å²	31.6	31%	0.306	18%	0.176	S	C	.	.	H	α-helix	trans	-63.8	-38.2	-178.3	0	0	0	0	0	112.6	K150 A151 K273	K150-A154 WeakPolarHBondContact O-CB 3.15Å; K150-A154 PolarHBondContact O-N 2.93Å; A151-A154 PolarHBondContact O-N 3.28Å; A154-K273 PolarHBondContact O-NZ 3.2Å
155	Q	97	Very high	96.7	Very high	119 Å²	119	29 Å²	29	56%	0.556	16%	0.164	S	C	*	.	H	α-helix	trans	-78.3	-20.5	179.2	69.2	176.4	63.6	0	0	114.1	F129 A151 S152 F153	F129-Q155 HydrophobicContact CE2-CG 4.46Å; A151-Q155 WeakPolarHBondContact O-CG 3.24Å; A151-Q155 PolarHBondContact O-N 2.83Å; S152-Q155 VanDerWaalsContact O-CG 3.22Å; S152-Q155 WeakPolarHBondContact O-CG 3.32Å; F153-Q155 VanDerWaalsContact C-N 3.35Å; F153-Q155 PolarHBondContact O-N 2.84Å
156	S	98.5	Very high	96.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.172	C	C	.	.			trans	-72.5	143.9	-177.1	-73.6	0	0	0	0	113	S152 F153 K273 S525	S152-S156 PolarHBondContact O-N 3.04Å; S152-S156 PolarHBondContact O-OG 3.05Å; F153-S156 PolarHBondContact O-N 2.73Å; S156-K273 PolarHBondContact O-NZ 3.21Å; S156-S525 WeakPolarHBondContact CA-OG 3.22Å
157	D	98.4	Very high	96.3	Very high	67 Å²	67	32.3 Å²	32.3	36%	0.358	18%	0.183	S	C	.	.	S	Bend	trans	-83.3	-39.6	-176.3	-58.4	-76.4	0	0	0	112.5	Q524 S525	D157-Q524 HydrophobicContact CB-CB 3.89Å; D157-Q524 HydrophobicContact CB-CG 3.99Å; D157-S525 PolarHBondContact N-O 2.86Å; D157-S525 PolarHBondContact N-OG 3.28Å; D157-S525 PolarHBondContact OD2-N 3.01Å; D157-S525 PolarHBondContact OD2-OG 2.71Å
158	I	98.5	Very high	96.1	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.9	-176.8	-47.1	169	0	0	0	109.3	Y160 Q274 A519 Q524 S525 A526 F527	I158-Y160 HydrophobicContact CB-CE2 4.18Å; I158-Y160 HydrophobicContact CG2-CD2 4.1Å; I158-Y160 HydrophobicContact CG2-CE1 4.2Å; I158-Y160 HydrophobicContact CG2-CE2 3.43Å; I158-Y160 VanDerWaalsContact CG2-CE2 3.43Å; I158-Y160 VanDerWaalsContact CG2-CZ 3.49Å; I158-Q274 CarbonylContact C-O 3.46Å; I158-Q274 WeakPolarHBondContact CA-O 3.43Å; I158-Q274 HydrophobicContact CB-CB 4.42Å; I158-Q274 HydrophobicContact CG1-CB 4.18Å; I158-Q274 HydrophobicContact CG2-CB 3.97Å; I158-A519 HydrophobicContact CD1-CB 4.16Å; I158-Q524 HydrophobicContact CD1-CB 4.15Å; I158-Q524 HydrophobicContact CG1-CB 4.46Å; I158-S525 PolarHBondContact N-O 2.93Å; I158-A526 CarbonylContact O-C 3.55Å; I158-A526 WeakPolarHBondContact O-CA 3.27Å; I158-F527 PolarHBondContact O-N 2.98Å
159	V	98.6	Very high	96	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.9	178.1	-170.4	0	0	0	0	111	F153 F161 A268 K273 Q274 H275 G276 F527	F153-V159 HydrophobicContact CD2-CG1 4.4Å; F153-V159 HydrophobicContact CD2-CG2 4.42Å; F153-V159 HydrophobicContact CE2-CG1 3.84Å; F153-V159 HydrophobicContact CE2-CG2 3.96Å; F153-V159 HydrophobicContact CZ-CG2 4.37Å; V159-F161 HydrophobicContact CB-CE2 4.25Å; V159-F161 HydrophobicContact CB-CZ 4.38Å; V159-F161 HydrophobicContact CG1-CD2 4.49Å; V159-F161 HydrophobicContact CG1-CE1 4.1Å; V159-F161 HydrophobicContact CG1-CE2 3.64Å; V159-F161 HydrophobicContact CG1-CZ 3.39Å; V159-A268 HydrophobicContact CB-CB 4.05Å; V159-A268 HydrophobicContact CG2-CB 3.92Å; V159-K273 HydrophobicContact CG2-CB 4.43Å; V159-K273 HydrophobicContact CG2-CD 3.84Å; V159-Q274 PolarHBondContact N-O 3.4Å; V159-H275 CarbonylContact O-C 3.51Å; V159-H275 WeakPolarHBondContact O-CA 3.39Å; V159-H275 WeakPolarHBondContact O-CB 3.35Å; V159-G276 PolarHBondContact O-N 2.98Å; V159-G276 VanDerWaalsContact O-N 3.09Å; V159-F527 CarbonylContact C-O 3.46Å; V159-F527 VanDerWaalsContact CA-O 3.28Å; V159-F527 WeakPolarHBondContact CA-O 3.14Å; V159-F527 HydrophobicContact CG1-CB 4.49Å; V159-F527 HydrophobicContact CG1-CD1 4.2Å; V159-F527 HydrophobicContact CG2-CB 4.42Å
160	Y	98.7	Very high	95.7	Very high	20 Å²	20	35.2 Å²	35.2	8%	0.078	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139	176.7	-65.6	-76.2	0	0	0	110.9	I158 G276 K515 A526 F527 F528 A529	I158-Y160 HydrophobicContact CB-CE2 4.18Å; I158-Y160 HydrophobicContact CG2-CD2 4.1Å; I158-Y160 HydrophobicContact CG2-CE1 4.2Å; I158-Y160 HydrophobicContact CG2-CE2 3.43Å; I158-Y160 VanDerWaalsContact CG2-CE2 3.43Å; I158-Y160 VanDerWaalsContact CG2-CZ 3.49Å; Y160-G276 WeakPolarHBondContact CA-O 3.2Å; Y160-K515 HydrophobicContact CD1-CG 4.2Å; Y160-K515 HydrophobicContact CD2-CB 4.19Å; Y160-K515 HydrophobicContact CD2-CG 4.36Å; Y160-K515 HydrophobicContact CE1-CB 4.46Å; Y160-K515 HydrophobicContact CE1-CD 3.88Å; Y160-K515 HydrophobicContact CE1-CG 3.94Å; Y160-K515 HydrophobicContact CE2-CB 3.73Å; Y160-K515 HydrophobicContact CE2-CG 4.09Å; Y160-K515 HydrophobicContact CG-CG 4.41Å; Y160-A526 HydrophobicContact CD2-CB 4.33Å; Y160-A526 HydrophobicContact CE2-CB 4.26Å; Y160-F527 PolarHBondContact N-O 3.13Å; Y160-F528 HydrophobicContact CD2-CD1 4.05Å; Y160-F528 AromaticContact CD2-CE1 3.52Å; Y160-F528 HydrophobicContact CD2-CE1 3.52Å; Y160-F528 AromaticContact CD2-CZ 3.8Å; Y160-F528 HydrophobicContact CD2-CZ 3.8Å; Y160-F528 HydrophobicContact CE2-CE1 4.34Å; Y160-F528 HydrophobicContact CE2-CZ 4.34Å; Y160-F528 HydrophobicContact CG-CD1 4.16Å; Y160-F528 AromaticContact CG-CE1 3.9Å; Y160-F528 HydrophobicContact CG-CE1 3.9Å; Y160-F528 CarbonylContact O-C 3.54Å; Y160-F528 WeakPolarHBondContact O-CA 2.8Å; Y160-A529 PolarHBondContact O-N 2.7Å
161	F	98.4	Very high	95.3	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	174	175.1	-58.3	-81.8	0	0	0	109.9	V159 L163 L264 A265 H275 G276 A277 V278 A529	V159-F161 HydrophobicContact CB-CE2 4.25Å; V159-F161 HydrophobicContact CB-CZ 4.38Å; V159-F161 HydrophobicContact CG1-CD2 4.49Å; V159-F161 HydrophobicContact CG1-CE1 4.1Å; V159-F161 HydrophobicContact CG1-CE2 3.64Å; V159-F161 HydrophobicContact CG1-CZ 3.39Å; F161-L163 WeakPolarHBondContact CB-O 3.38Å; F161-L264 HydrophobicContact CE1-CB 3.62Å; F161-L264 HydrophobicContact CZ-CB 3.95Å; F161-A265 HydrophobicContact CD2-CB 3.96Å; F161-A265 HydrophobicContact CE1-CB 4.21Å; F161-A265 VanDerWaalsContact CE2-CA 3.48Å; F161-A265 HydrophobicContact CE2-CB 3.52Å; F161-A265 HydrophobicContact CG-CB 4.49Å; F161-A265 HydrophobicContact CZ-CB 3.67Å; F161-A265 VanDerWaalsContact CZ-N 3.25Å; F161-H275 HydrophobicContact CE2-CB 4.34Å; F161-G276 PolarHBondContact N-O 3.23Å; F161-A277 CarbonylContact O-C 3.54Å; F161-A277 VanDerWaalsContact O-CA 3.27Å; F161-A277 WeakPolarHBondContact O-CA 3.42Å; F161-V278 PolarHBondContact O-N 2.77Å; F161-A529 WeakPolarHBondContact CA-O 3.34Å; F161-A529 HydrophobicContact CD1-CB 3.71Å; F161-A529 HydrophobicContact CE1-CB 3.67Å
162	E	97.7	Very high	95	Very high	33 Å²	33	34.5 Å²	34.5	15%	0.154	20%	0.199	C	C	.	.	S	Bend	trans	-58.4	-54.6	167.6	-67.3	-178.3	179.4	0	0	110	E279 R504 M508 L530 G531 H534	E162-E279 WeakPolarHBondContact O-CB 3.41Å; E162-E279 PolarHBondContact O-N 3.39Å; E162-R504 IonicContact OE1-NH2 2.71Å; E162-R504 IonicContact OE2-CZ 3.4Å; E162-R504 IonicContact OE2-NH2 3.61Å; E162-R504 PolarHBondContact OE2-NH2 3.01Å; E162-M508 HydrophobicContact CG-SD 4.26Å; E162-L530 HydrophobicContact CG-CB 4.2Å; E162-L530 HydrophobicContact CG-CD2 3.68Å; E162-G531 WeakPolarHBondContact OE1-CA 3.42Å; E162-G531 PolarHBondContact OE1-N 3.45Å; E162-H534 IonicContact OE1-CD2 3.8Å; E162-H534 PolarHBondContact OE1-CD2 3.18Å; E162-H534 VanDerWaalsContact OE1-CD2 3.29Å; E162-H534 IonicContact OE1-NE2 2.95Å; E162-H534 PolarHBondContact OE1-NE2 2.76Å
163	L	96.3	Very high	94.7	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.052	22%	0.218	C	C	.	.	S	Bend	trans	-130.4	148.3	172.3	-69.4	-178.4	0	0	0	111.2	F161 L165 T170 L174 E279 V281 Q284 I618	F161-L163 WeakPolarHBondContact CB-O 3.38Å; L163-L165 HydrophobicContact CB-CD2 3.91Å; L163-L165 PolarHBondContact O-N 3.2Å; L163-L165 VanDerWaalsContact O-N 3.16Å; L163-T170 HydrophobicContact CB-CG2 4.15Å; L163-T170 HydrophobicContact CD1-CG2 4.43Å; L163-L174 HydrophobicContact CD1-CD1 3.94Å; L163-L174 HydrophobicContact CD1-CD2 4.12Å; L163-L174 HydrophobicContact CD1-CG 4.35Å; L163-E279 HydrophobicContact CD2-CB 4.18Å; L163-E279 WeakPolarHBondContact CD2-O 3.23Å; L163-V281 HydrophobicContact CD1-CG2 4.47Å; L163-Q284 HydrophobicContact CD1-CG 3.6Å; L163-Q284 HydrophobicContact CG-CG 4.25Å; L163-I618 HydrophobicContact CD1-CD1 3.63Å
164	D	94.3	Very high	94.4	Very high	21 Å²	21	38.1 Å²	38.1	11%	0.112	22%	0.216	C	C	.	.			trans	-84.1	90.5	174.9	-174.3	-0.9	0	0	0	110.6	T166 N167 T170 H275 A277	D164-T166 PolarHBondContact O-N 3.49Å; D164-T166 WeakPolarHBondContact OD1-CB 3.13Å; D164-T166 PolarHBondContact OD1-N 2.98Å; D164-T166 VanDerWaalsContact OD1-N 3.07Å; D164-T166 PolarHBondContact OD1-OG1 3.35Å; D164-N167 HydrophobicContact CB-CB 4.31Å; D164-N167 WeakPolarHBondContact O-CB 3.27Å; D164-N167 PolarHBondContact O-N 3.17Å; D164-N167 VanDerWaalsContact O-N 3.1Å; D164-T170 WeakPolarHBondContact O-CB 3.43Å; D164-H275 IonicContact OD1-CE1 2.85Å; D164-H275 IonicContact OD1-ND1 3Å; D164-H275 IonicContact OD2-CE1 3.38Å; D164-H275 PolarHBondContact OD2-CE1 3.14Å; D164-H275 IonicContact OD2-ND1 3.85Å; D164-H275 PolarHBondContact OD2-ND1 3.36Å; D164-A277 HydrophobicContact CB-CB 4.43Å
165	L	89.2	Confident	93.9	Very high	15 Å²	15	37.2 Å²	37.2	8%	0.079	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-4.2	-178.2	-54.4	-170.1	0	0	0	113.8	L163 N167 L174 L262 I618	L163-L165 HydrophobicContact CB-CD2 3.91Å; L163-L165 PolarHBondContact O-N 3.2Å; L163-L165 VanDerWaalsContact O-N 3.16Å; L165-N167 VanDerWaalsContact C-N 3.34Å; L165-L174 HydrophobicContact CD2-CD1 4.48Å; L165-L262 HydrophobicContact CB-CD1 3.81Å; L165-L262 HydrophobicContact CD1-CB 4.38Å; L165-I618 HydrophobicContact CD1-CG1 4.36Å; L165-I618 HydrophobicContact CD1-CG2 4Å; L165-I618 HydrophobicContact CD2-CB 4.34Å; L165-I618 HydrophobicContact CD2-CD1 4.43Å; L165-I618 HydrophobicContact CD2-CG1 4.14Å; L165-I618 HydrophobicContact CD2-CG2 3.26Å; L165-I618 HydrophobicContact CG-CG2 4.23Å
166	T	90.3	Very high	93.7	Very high	36 Å²	36	37.1 Å²	37.1	22%	0.221	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-16.3	170.9	73.7	0	0	0	0	111.8	D164 P168 L262 A265 H275	D164-T166 PolarHBondContact O-N 3.49Å; D164-T166 WeakPolarHBondContact OD1-CB 3.13Å; D164-T166 PolarHBondContact OD1-N 2.98Å; D164-T166 VanDerWaalsContact OD1-N 3.07Å; D164-T166 PolarHBondContact OD1-OG1 3.35Å; T166-P168 WeakPolarHBondContact O-CD 3.31Å; T166-L262 HydrophobicContact CG2-CD1 4.44Å; T166-A265 HydrophobicContact CG2-CB 3.7Å; T166-H275 PolarHBondContact OG1-CE1 2.81Å
167	N	89.9	Confident	93.3	Very high	58 Å²	58	37.8 Å²	37.8	31%	0.31	22%	0.215	S	C	.	.			trans	-83.4	116.9	-179.7	-175.5	-9.2	0	0	0	111.1	D164 L165 V169 T170 L171	D164-N167 HydrophobicContact CB-CB 4.31Å; D164-N167 WeakPolarHBondContact O-CB 3.27Å; D164-N167 PolarHBondContact O-N 3.17Å; D164-N167 VanDerWaalsContact O-N 3.1Å; L165-N167 VanDerWaalsContact C-N 3.34Å; N167-V169 PolarHBondContact O-N 2.88Å; N167-V169 VanDerWaalsContact O-N 3.17Å; N167-V169 WeakPolarHBondContact OD1-CB 3.37Å; N167-V169 PolarHBondContact OD1-N 2.69Å; N167-T170 WeakPolarHBondContact O-CB 3.39Å; N167-T170 PolarHBondContact O-N 3.36Å; N167-T170 VanDerWaalsContact O-N 3.16Å; N167-L171 PolarHBondContact O-N 2.8Å
168	P	90.5	Very high	93	Very high	96 Å²	96	35 Å²	35	62%	0.623	20%	0.199	S	C	*	.	H	α-helix	trans	-63.8	-23.1	-179.8	26.5	-35.5	0	0	0	113.6	T166 A172	T166-P168 WeakPolarHBondContact O-CD 3.31Å; P168-A172 WeakPolarHBondContact O-CB 3.27Å; P168-A172 PolarHBondContact O-N 3.23Å
169	V	92.5	Very high	92.7	Very high	79 Å²	79	37.4 Å²	37.4	48%	0.479	21%	0.214	S	C	.	.	H	α-helix	trans	-68.9	-47.7	175.2	179.6	0	0	0	0	110.3	N167 L171 A172 E173	N167-V169 PolarHBondContact O-N 2.88Å; N167-V169 VanDerWaalsContact O-N 3.17Å; N167-V169 WeakPolarHBondContact OD1-CB 3.37Å; N167-V169 PolarHBondContact OD1-N 2.69Å; V169-L171 VanDerWaalsContact C-N 3.26Å; V169-L171 PolarHBondContact O-N 3.29Å; V169-A172 PolarHBondContact O-N 2.84Å; V169-E173 HydrophobicContact CG1-CG 4.41Å; V169-E173 WeakPolarHBondContact O-CG 3.39Å; V169-E173 PolarHBondContact O-N 3.2Å
170	T	92.9	Very high	92.4	Very high	17 Å²	17	38.2 Å²	38.2	10%	0.104	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-42.8	176.1	-59.2	0	0	0	0	111	L163 D164 N167 L174 V281	L163-T170 HydrophobicContact CB-CG2 4.15Å; L163-T170 HydrophobicContact CD1-CG2 4.43Å; D164-T170 WeakPolarHBondContact O-CB 3.43Å; N167-T170 WeakPolarHBondContact O-CB 3.39Å; N167-T170 PolarHBondContact O-N 3.36Å; N167-T170 VanDerWaalsContact O-N 3.16Å; T170-L174 HydrophobicContact CG2-CD1 4.15Å; T170-L174 WeakPolarHBondContact O-CB 3.49Å; T170-L174 WeakPolarHBondContact O-CD1 2.92Å; T170-L174 WeakPolarHBondContact O-CG 3.34Å; T170-L174 PolarHBondContact O-N 2.98Å; T170-L174 VanDerWaalsContact O-N 3.12Å; T170-V281 HydrophobicContact CG2-CG2 3.84Å
171	L	88.9	Confident	92	Very high	47 Å²	47	39.9 Å²	39.9	25%	0.246	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-51.3	175.7	-66.8	178.8	0	0	0	111.7	N167 V169 E173 L174 S175 I618 I620	N167-L171 PolarHBondContact O-N 2.8Å; V169-L171 VanDerWaalsContact C-N 3.26Å; V169-L171 PolarHBondContact O-N 3.29Å; L171-E173 PolarHBondContact O-N 2.65Å; L171-L174 PolarHBondContact O-N 3.4Å; L171-S175 PolarHBondContact O-N 2.85Å; L171-S175 VanDerWaalsContact O-N 3.1Å; L171-I618 HydrophobicContact CD2-CG2 4.4Å; L171-I620 HydrophobicContact CB-CD1 4.43Å; L171-I620 HydrophobicContact CB-CG1 3.72Å; L171-I620 HydrophobicContact CB-CG2 4.3Å; L171-I620 HydrophobicContact CD2-CD1 4.08Å; L171-I620 HydrophobicContact CD2-CG1 3.48Å; L171-I620 VanDerWaalsContact CD2-CG1 3.48Å; L171-I620 HydrophobicContact CG-CG1 4.15Å; L171-I620 WeakPolarHBondContact O-CD1 3.5Å; L171-I620 VanDerWaalsContact O-CG1 3.28Å; L171-I620 WeakPolarHBondContact O-CG1 3.46Å; L171-I620 WeakPolarHBondContact O-CG2 3.24Å
172	A	89.8	Confident	91.5	Very high	47 Å²	47	49.1 Å²	49.1	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-58.7	-45.6	179.5	0	0	0	0	0	112.9	P168 V169 L174 S175 D176	P168-A172 WeakPolarHBondContact O-CB 3.27Å; P168-A172 PolarHBondContact O-N 3.23Å; V169-A172 PolarHBondContact O-N 2.84Å; A172-L174 VanDerWaalsContact C-N 3.34Å; A172-L174 PolarHBondContact O-N 3.17Å; A172-S175 WeakPolarHBondContact O-CB 3.44Å; A172-S175 PolarHBondContact O-N 3.3Å; A172-D176 PolarHBondContact O-N 2.8Å
173	E	93.1	Very high	90.9	Very high	90 Å²	90	55.3 Å²	55.3	42%	0.421	31%	0.306	S	S	.	.	H	α-helix	trans	-62.4	-40.3	179.9	-74	176.2	172.3	0	0	112.5	V169 L171 D176 C177 V281	V169-E173 HydrophobicContact CG1-CG 4.41Å; V169-E173 WeakPolarHBondContact O-CG 3.39Å; V169-E173 PolarHBondContact O-N 3.2Å; L171-E173 PolarHBondContact O-N 2.65Å; E173-D176 PolarHBondContact O-N 3.41Å; E173-C177 WeakPolarHBondContact O-CB 3.39Å; E173-C177 PolarHBondContact O-N 2.92Å; E173-V281 HydrophobicContact CB-CB 4.13Å; E173-V281 HydrophobicContact CB-CG1 3.95Å; E173-V281 HydrophobicContact CB-CG2 3.91Å
174	L	90.5	Very high	90.6	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-65.3	-39.9	176.2	-83.5	164.3	0	0	0	111.5	L163 L165 T170 L171 A172 C177 Q178 V281 I618 I620	L163-L174 HydrophobicContact CD1-CD1 3.94Å; L163-L174 HydrophobicContact CD1-CD2 4.12Å; L163-L174 HydrophobicContact CD1-CG 4.35Å; L165-L174 HydrophobicContact CD2-CD1 4.48Å; T170-L174 HydrophobicContact CG2-CD1 4.15Å; T170-L174 WeakPolarHBondContact O-CB 3.49Å; T170-L174 WeakPolarHBondContact O-CD1 2.92Å; T170-L174 WeakPolarHBondContact O-CG 3.34Å; T170-L174 PolarHBondContact O-N 2.98Å; T170-L174 VanDerWaalsContact O-N 3.12Å; L171-L174 PolarHBondContact O-N 3.4Å; A172-L174 VanDerWaalsContact C-N 3.34Å; A172-L174 PolarHBondContact O-N 3.17Å; L174-C177 WeakPolarHBondContact O-CB 3.44Å; L174-C177 PolarHBondContact O-N 2.96Å; L174-Q178 WeakPolarHBondContact O-CG 3.4Å; L174-Q178 PolarHBondContact O-N 3.42Å; L174-V281 HydrophobicContact CB-CG1 4.26Å; L174-V281 HydrophobicContact CD1-CG2 4.47Å; L174-V281 HydrophobicContact CD2-CG1 3.75Å; L174-V281 HydrophobicContact CD2-CG2 4.48Å; L174-V281 HydrophobicContact CG-CB 4.3Å; L174-V281 HydrophobicContact CG-CG1 3.66Å; L174-V281 HydrophobicContact CG-CG2 3.84Å; L174-I618 HydrophobicContact CD1-CB 3.99Å; L174-I618 HydrophobicContact CD1-CD1 3.74Å; L174-I618 HydrophobicContact CD1-CG1 4.42Å; L174-I618 HydrophobicContact CD1-CG2 3.33Å; L174-I618 HydrophobicContact CD2-CD1 3.89Å; L174-I620 HydrophobicContact CB-CD1 3.08Å; L174-I620 HydrophobicContact CB-CG1 4.47Å; L174-I620 HydrophobicContact CD1-CD1 3.6Å; L174-I620 HydrophobicContact CG-CD1 4Å
175	S	88.4	Confident	90.4	Very high	17 Å²	17	60.2 Å²	60.2	12%	0.119	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-47.2	173.7	-172.1	0	0	0	0	111.6	L171 A172 C177 Q178	L171-S175 PolarHBondContact O-N 2.85Å; L171-S175 VanDerWaalsContact O-N 3.1Å; A172-S175 WeakPolarHBondContact O-CB 3.44Å; A172-S175 PolarHBondContact O-N 3.3Å; S175-C177 PolarHBondContact O-N 2.94Å; S175-Q178 PolarHBondContact O-N 3.3Å; S175-Q178 VanDerWaalsContact O-N 3.16Å
176	D	91.3	Very high	90.5	Very high	117 Å²	117	59.5 Å²	59.5	63%	0.626	33%	0.328	S	S	*	.	H	α-helix	trans	-63.6	-28.7	179.8	-72.2	-16.6	0	0	0	112.2	A172 E173 Q178 V179	A172-D176 PolarHBondContact O-N 2.8Å; E173-D176 PolarHBondContact O-N 3.41Å; D176-Q178 VanDerWaalsContact C-N 3.33Å; D176-Q178 PolarHBondContact O-N 2.96Å; D176-V179 WeakPolarHBondContact O-CG2 3.42Å
177	C	91.2	Very high	90.5	Very high	14 Å²	14	62 Å²	62	10%	0.095	34%	0.343	C	S	.	.	H	α-helix	trans	-70.5	-26.5	177.4	138.4	0	0	0	0	113.6	E173 L174 S175 W239 C285 N289	E173-C177 WeakPolarHBondContact O-CB 3.39Å; E173-C177 PolarHBondContact O-N 2.92Å; L174-C177 WeakPolarHBondContact O-CB 3.44Å; L174-C177 PolarHBondContact O-N 2.96Å; S175-C177 PolarHBondContact O-N 2.94Å; C177-W239 VanDerWaalsContact SG-CZ2 3.56Å; C177-C285 HydrophobicContact CB-CB 3.79Å; C177-C285 WeakPolarHBondContact CB-SG 3.36Å; C177-C285 WeakPolarHBondContact SG-CB 3.4Å; C177-C285 CovalentContact SG-SG 2Å; C177-C285 PolarHBondContact SG-SG 3.3Å; C177-N289 PolarHBondContact O-ND2 3.19Å; C177-N289 VanDerWaalsContact O-ND2 3.15Å
178	Q	91.3	Very high	90.5	Very high	8 Å²	8	64.3 Å²	64.3	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-80	-23.1	-175.1	-62.7	-177.8	11.7	0	0	113.8	L174 S175 D176 R236 W239 N615	L174-Q178 WeakPolarHBondContact O-CG 3.4Å; L174-Q178 PolarHBondContact O-N 3.42Å; S175-Q178 PolarHBondContact O-N 3.3Å; S175-Q178 VanDerWaalsContact O-N 3.16Å; D176-Q178 VanDerWaalsContact C-N 3.33Å; D176-Q178 PolarHBondContact O-N 2.96Å; Q178-R236 WeakPolarHBondContact O-CG 3.39Å; Q178-R236 PolarHBondContact O-N 3.46Å; Q178-W239 VanDerWaalsContact CA-CD1 3.44Å; Q178-W239 HydrophobicContact CB-CB 4.37Å; Q178-W239 HydrophobicContact CB-CD2 4.05Å; Q178-W239 HydrophobicContact CB-CG 3.88Å; Q178-W239 HydrophobicContact CG-CD2 3.6Å; Q178-W239 HydrophobicContact CG-CE3 3.77Å; Q178-W239 HydrophobicContact CG-CG 3.98Å; Q178-W239 HydrophobicContact CG-CH2 4.27Å; Q178-W239 HydrophobicContact CG-CZ2 4.15Å; Q178-W239 HydrophobicContact CG-CZ3 4.1Å; Q178-W239 VanDerWaalsContact O-CD1 3.27Å; Q178-N615 PolarHBondContact NE2-ND2 3.39Å; Q178-N615 PolarHBondContact NE2-OD1 3.01Å; Q178-N615 PolarHBondContact OE1-OD1 3.27Å
179	V	92	Very high	90.6	Very high	53 Å²	53	62.8 Å²	62.8	32%	0.321	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-83	151.4	-176.6	-61.9	0	0	0	0	111.5	D176 R236	D176-V179 WeakPolarHBondContact O-CG2 3.42Å; V179-R236 PolarHBondContact O-NE 3.05Å
180	L	93.4	Very high	90.7	Very high	17 Å²	17	59.4 Å²	59.4	9%	0.089	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-65.4	155.7	171.2	-74.4	164.7	0	0	0	110.3	Q184 T185 I186 L189 E234 R236	L180-Q184 HydrophobicContact CB-CB 4.14Å; L180-T185 VanDerWaalsContact CD1-C 3.45Å; L180-I186 HydrophobicContact CD1-CG2 4.21Å; L180-L189 HydrophobicContact CD1-CD1 4.39Å; L180-L189 HydrophobicContact CD2-CD1 3.46Å; L180-L189 VanDerWaalsContact CD2-CD1 3.46Å; L180-E234 WeakPolarHBondContact CB-O 3.44Å; L180-E234 WeakPolarHBondContact CG-O 3.03Å; L180-E234 PolarHBondContact N-O 3.39Å; L180-R236 HydrophobicContact CD2-CB 4.23Å; L180-R236 HydrophobicContact CD2-CG 3.81Å; L180-R236 HydrophobicContact CG-CG 4.05Å
181	P	90.6	Very high	90.8	Very high	56 Å²	56	65.1 Å²	65.1	36%	0.364	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-51.7	150.2	168.6	-24	33.5	0	0	0	111.7	N183 Q184	P181-N183 PolarHBondContact O-N 3.21Å; P181-Q184 HydrophobicContact CB-CG 4.37Å; P181-Q184 WeakPolarHBondContact O-CB 3.24Å; P181-Q184 PolarHBondContact O-N 2.97Å
182	K	86.7	Confident	91.1	Very high	197 Å²	197	67.6 Å²	67.6	86%	0.857	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	137.9	179.7	-66.7	-175.3	179	-179.7	0	111.1	Q184	K182-Q184 PolarHBondContact O-N 2.6Å
183	N	85.2	Confident	91.4	Very high	164 Å²	164	70.3 Å²	70.3	88%	0.877	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	8.1	-178.5	-47.5	-32.3	0	0	0	115.3	P181	P181-N183 PolarHBondContact O-N 3.21Å
184	Q	89.6	Confident	91.6	Very high	84 Å²	84	66.1 Å²	66.1	39%	0.393	35%	0.352	S	S	.	.			trans	-100.1	147.3	166.1	-62.6	-173.9	5.2	0	0	110.1	L180 P181 K182	L180-Q184 HydrophobicContact CB-CB 4.14Å; P181-Q184 HydrophobicContact CB-CG 4.37Å; P181-Q184 WeakPolarHBondContact O-CB 3.24Å; P181-Q184 PolarHBondContact O-N 2.97Å; K182-Q184 PolarHBondContact O-N 2.6Å
185	T	90	Very high	91.9	Very high	49 Å²	49	66.9 Å²	66.9	30%	0.301	36%	0.356	S	S	.	.			trans	-136.5	168.1	172.9	66	0	0	0	0	108.6	L180 T187 N188	L180-T185 VanDerWaalsContact CD1-C 3.45Å; T185-T187 PolarHBondContact O-N 3.19Å; T185-T187 PolarHBondContact OG1-N 2.92Å; T185-T187 PolarHBondContact OG1-OG1 3Å; T185-N188 PolarHBondContact O-N 3.17Å
186	I	92.2	Very high	92.3	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-58.4	-19.2	176.2	61.2	169.2	0	0	0	113.6	L180 N188 L189 L190 I195 W232 K233 K235	L180-I186 HydrophobicContact CD1-CG2 4.21Å; I186-N188 PolarHBondContact O-N 3.48Å; I186-L189 PolarHBondContact O-N 3.48Å; I186-L189 VanDerWaalsContact O-N 3.12Å; I186-L190 HydrophobicContact CB-CD1 4.21Å; I186-L190 HydrophobicContact CB-CG 4.45Å; I186-L190 PolarHBondContact O-N 2.75Å; I186-I195 HydrophobicContact CD1-CG1 4.21Å; I186-I195 HydrophobicContact CD1-CG2 4.1Å; I186-I195 HydrophobicContact CG1-CD1 4.38Å; I186-I195 HydrophobicContact CG1-CG1 4.49Å; I186-W232 HydrophobicContact CD1-CE3 3.79Å; I186-W232 HydrophobicContact CD1-CH2 3.65Å; I186-W232 HydrophobicContact CD1-CZ3 3.13Å; I186-K233 HydrophobicContact CD1-CB 4.13Å; I186-K233 HydrophobicContact CD1-CG 3.98Å; I186-K233 HydrophobicContact CG1-CB 4.12Å; I186-K233 HydrophobicContact CG1-CG 4.44Å; I186-K233 WeakPolarHBondContact CG2-O 3.46Å; I186-K233 PolarHBondContact N-O 3.45Å; I186-K235 WeakPolarHBondContact CG2-O 3.47Å
187	T	91	Very high	92.5	Very high	88 Å²	88	69.1 Å²	69.1	54%	0.54	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-64.6	-23.5	177	60.1	0	0	0	0	112.9	T185 L189 I195	T185-T187 PolarHBondContact O-N 3.19Å; T185-T187 PolarHBondContact OG1-N 2.92Å; T185-T187 PolarHBondContact OG1-OG1 3Å; T187-L189 VanDerWaalsContact C-N 3.34Å; T187-I195 HydrophobicContact CG2-CD1 3.98Å
188	N	88.2	Confident	92.8	Very high	108 Å²	108	68.5 Å²	68.5	58%	0.578	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-85.4	-13.5	-179.8	-58.1	6.5	0	0	0	111.7	T185 I186	T185-N188 PolarHBondContact O-N 3.17Å; I186-N188 PolarHBondContact O-N 3.48Å
189	L	93	Very high	93	Very high	63 Å²	63	70.4 Å²	70.4	33%	0.33	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-32.5	-171.2	-61.8	179.1	0	0	0	113.4	L180 I186 T187 P237 V293	L180-L189 HydrophobicContact CD1-CD1 4.39Å; L180-L189 HydrophobicContact CD2-CD1 3.46Å; L180-L189 VanDerWaalsContact CD2-CD1 3.46Å; I186-L189 PolarHBondContact O-N 3.48Å; I186-L189 VanDerWaalsContact O-N 3.12Å; T187-L189 VanDerWaalsContact C-N 3.34Å; L189-P237 HydrophobicContact CB-CG 4.36Å; L189-P237 HydrophobicContact CD1-CG 4.02Å; L189-V293 HydrophobicContact CB-CG2 4.26Å
190	L	95.2	Very high	93.2	Very high	8 Å²	8	75.9 Å²	75.9	4%	0.042	38%	0.378	C	S	.	.	S	Bend	trans	-111.2	150.1	-175.7	-56.1	-175.6	0	0	0	111.2	I186 L194 I195 L198 P237 T297 L300	I186-L190 HydrophobicContact CB-CD1 4.21Å; I186-L190 HydrophobicContact CB-CG 4.45Å; I186-L190 PolarHBondContact O-N 2.75Å; L190-L194 HydrophobicContact CB-CD2 4.46Å; L190-L194 HydrophobicContact CD1-CD2 4.4Å; L190-L194 HydrophobicContact CD2-CD2 4.33Å; L190-I195 HydrophobicContact CB-CD1 4.08Å; L190-I195 HydrophobicContact CB-CG1 3.82Å; L190-I195 WeakPolarHBondContact O-CD1 3.41Å; L190-L198 HydrophobicContact CD1-CD1 3.92Å; L190-P237 HydrophobicContact CD2-CB 4.29Å; L190-P237 HydrophobicContact CD2-CG 4.12Å; L190-T297 HydrophobicContact CD2-CG2 4.05Å; L190-T297 VanDerWaalsContact CD2-OG1 3.31Å; L190-T297 WeakPolarHBondContact CD2-OG1 3.45Å; L190-L300 HydrophobicContact CD1-CD1 4.24Å; L190-L300 HydrophobicContact CD2-CD1 4.34Å
191	K	94.7	Very high	93.2	Very high	138 Å²	138	75.9 Å²	75.9	60%	0.6	38%	0.376	S	S	*	.			trans	-64.6	144.7	176.8	-66.3	175.1	-175	164.3	0	110.8	D193 L194 I195	K191-D193 VanDerWaalsContact C-N 3.25Å; K191-D193 PolarHBondContact O-N 3.39Å; K191-D193 VanDerWaalsContact O-N 3.15Å; K191-L194 PolarHBondContact O-N 2.88Å; K191-L194 VanDerWaalsContact O-N 3.12Å; K191-I195 PolarHBondContact O-N 2.89Å; K191-I195 VanDerWaalsContact O-N 3.15Å
192	P	95.9	Very high	93.3	Very high	98 Å²	98	73.2 Å²	73.2	64%	0.636	36%	0.359	S	S	*	.	H	α-helix	trans	-55.6	-34.7	-179.2	-28.2	34.9	0	0	0	114.9	K196	P192-K196 WeakPolarHBondContact O-CG 3.42Å; P192-K196 PolarHBondContact O-N 3.41Å; P192-K196 VanDerWaalsContact O-N 3.1Å
193	D	96	Very high	93.6	Very high	104 Å²	104	67.4 Å²	67.4	56%	0.556	34%	0.338	S	S	*	.	H	α-helix	trans	-66.7	-45.7	178.1	-174.8	67	0	0	0	112.2	K191 I195 K196 R197	K191-D193 VanDerWaalsContact C-N 3.25Å; K191-D193 PolarHBondContact O-N 3.39Å; K191-D193 VanDerWaalsContact O-N 3.15Å; D193-I195 VanDerWaalsContact C-N 3.3Å; D193-I195 PolarHBondContact O-N 2.96Å; D193-K196 WeakPolarHBondContact O-CB 3.5Å; D193-K196 PolarHBondContact O-N 3.37Å; D193-K196 VanDerWaalsContact O-N 3.16Å; D193-R197 WeakPolarHBondContact O-CG 3.4Å; D193-R197 PolarHBondContact O-N 3.48Å
194	L	96.2	Very high	93.9	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-60.4	-41.9	176.4	-179.9	57.3	0	0	0	111.2	L190 K191 K196 R197 L198 T297 L300 E301 L304	L190-L194 HydrophobicContact CB-CD2 4.46Å; L190-L194 HydrophobicContact CD1-CD2 4.4Å; L190-L194 HydrophobicContact CD2-CD2 4.33Å; K191-L194 PolarHBondContact O-N 2.88Å; K191-L194 VanDerWaalsContact O-N 3.12Å; L194-K196 VanDerWaalsContact C-N 3.34Å; L194-K196 PolarHBondContact O-N 3.2Å; L194-R197 PolarHBondContact O-N 3.36Å; L194-L198 HydrophobicContact CD1-CD1 4.3Å; L194-L198 HydrophobicContact CD1-CG 4.32Å; L194-L198 HydrophobicContact CG-CD1 3.96Å; L194-L198 HydrophobicContact CG-CG 4.47Å; L194-L198 WeakPolarHBondContact O-CB 3.45Å; L194-L198 VanDerWaalsContact O-CG 3.3Å; L194-L198 WeakPolarHBondContact O-CG 3.33Å; L194-L198 PolarHBondContact O-N 2.81Å; L194-T297 HydrophobicContact CD2-CG2 3.83Å; L194-L300 HydrophobicContact CD2-CB 4.49Å; L194-E301 HydrophobicContact CD1-CG 3.92Å; L194-E301 HydrophobicContact CD2-CG 3.89Å; L194-E301 HydrophobicContact CG-CG 4.43Å; L194-L304 HydrophobicContact CD1-CD2 3.93Å
195	I	96.9	Very high	94	Very high	20 Å²	20	59.4 Å²	59.4	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-42.7	176.7	-62.9	171.2	0	0	0	111.2	I186 T187 L190 K191 D193 R197 L198 D199 W232	I186-I195 HydrophobicContact CD1-CG1 4.21Å; I186-I195 HydrophobicContact CD1-CG2 4.1Å; I186-I195 HydrophobicContact CG1-CD1 4.38Å; I186-I195 HydrophobicContact CG1-CG1 4.49Å; T187-I195 HydrophobicContact CG2-CD1 3.98Å; L190-I195 HydrophobicContact CB-CD1 4.08Å; L190-I195 HydrophobicContact CB-CG1 3.82Å; L190-I195 WeakPolarHBondContact O-CD1 3.41Å; K191-I195 PolarHBondContact O-N 2.89Å; K191-I195 VanDerWaalsContact O-N 3.15Å; D193-I195 VanDerWaalsContact C-N 3.3Å; D193-I195 PolarHBondContact O-N 2.96Å; I195-R197 VanDerWaalsContact C-N 3.31Å; I195-R197 PolarHBondContact O-N 3.18Å; I195-L198 PolarHBondContact O-N 2.67Å; I195-D199 VanDerWaalsContact O-CB 3.32Å; I195-D199 WeakPolarHBondContact O-CB 3.27Å; I195-D199 PolarHBondContact O-N 2.97Å; I195-W232 HydrophobicContact CG2-CH2 4.48Å
196	K	97.3	Very high	93.9	Very high	141 Å²	141	61.4 Å²	61.4	61%	0.613	30%	0.3	S	S	*	.	H	α-helix	trans	-62.8	-38	176.4	-74.2	174.8	-177.5	179.8	0	112.1	P192 D193 L194 R200	P192-K196 WeakPolarHBondContact O-CG 3.42Å; P192-K196 PolarHBondContact O-N 3.41Å; P192-K196 VanDerWaalsContact O-N 3.1Å; D193-K196 WeakPolarHBondContact O-CB 3.5Å; D193-K196 PolarHBondContact O-N 3.37Å; D193-K196 VanDerWaalsContact O-N 3.16Å; L194-K196 VanDerWaalsContact C-N 3.34Å; L194-K196 PolarHBondContact O-N 3.2Å; K196-R200 WeakPolarHBondContact O-CB 3.49Å; K196-R200 PolarHBondContact O-N 3.3Å
197	R	96.8	Very high	93.8	Very high	40 Å²	40	67.5 Å²	67.5	15%	0.151	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-46.1	176.1	-68.1	176.6	58.1	-157.2	-5.3	111.7	D193 L194 I195 D199 R200 Y201 L304 N305 E308	D193-R197 WeakPolarHBondContact O-CG 3.4Å; D193-R197 PolarHBondContact O-N 3.48Å; L194-R197 PolarHBondContact O-N 3.36Å; I195-R197 VanDerWaalsContact C-N 3.31Å; I195-R197 PolarHBondContact O-N 3.18Å; R197-D199 PolarHBondContact O-N 2.99Å; R197-R200 PolarHBondContact O-N 3.44Å; R197-Y201 WeakPolarHBondContact O-CB 3.28Å; R197-Y201 PolarHBondContact O-N 3.15Å; R197-L304 HydrophobicContact CB-CD2 3.56Å; R197-N305 VanDerWaalsContact CZ-OD1 3.31Å; R197-N305 PolarHBondContact NH1-OD1 2.88Å; R197-N305 VanDerWaalsContact NH1-OD1 3.16Å; R197-N305 PolarHBondContact NH2-OD1 2.94Å; R197-E308 IonicContact CZ-OE2 3.87Å; R197-E308 IonicContact NE-OE1 2.66Å; R197-E308 IonicContact NE-OE2 3.54Å; R197-E308 PolarHBondContact NE-OE2 3.36Å; R197-E308 IonicContact NH2-OE1 3.29Å; R197-E308 IonicContact NH2-OE2 2.68Å; R197-E308 PolarHBondContact NH2-OE2 3.3Å
198	L	96	Very high	93.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.7	-47.5	174.7	-72.4	163.4	0	0	0	111.6	L190 L194 I195 R200 Y201 I202 W232 L240 L244 L304	L190-L198 HydrophobicContact CD1-CD1 3.92Å; L194-L198 HydrophobicContact CD1-CD1 4.3Å; L194-L198 HydrophobicContact CD1-CG 4.32Å; L194-L198 HydrophobicContact CG-CD1 3.96Å; L194-L198 HydrophobicContact CG-CG 4.47Å; L194-L198 WeakPolarHBondContact O-CB 3.45Å; L194-L198 VanDerWaalsContact O-CG 3.3Å; L194-L198 WeakPolarHBondContact O-CG 3.33Å; L194-L198 PolarHBondContact O-N 2.81Å; I195-L198 PolarHBondContact O-N 2.67Å; L198-R200 VanDerWaalsContact C-N 3.34Å; L198-R200 PolarHBondContact O-N 3.16Å; L198-Y201 PolarHBondContact O-N 2.79Å; L198-I202 WeakPolarHBondContact O-CB 3.23Å; L198-I202 VanDerWaalsContact O-CG1 3.3Å; L198-I202 WeakPolarHBondContact O-CG1 3.5Å; L198-I202 PolarHBondContact O-N 3.42Å; L198-W232 HydrophobicContact CB-CH2 3.63Å; L198-W232 HydrophobicContact CB-CZ3 3.72Å; L198-W232 HydrophobicContact CD1-CZ3 4.2Å; L198-L240 HydrophobicContact CD1-CD2 3.68Å; L198-L240 HydrophobicContact CD2-CD2 4.01Å; L198-L240 HydrophobicContact CG-CD2 4.41Å; L198-L244 HydrophobicContact CD2-CD1 3.64Å; L198-L304 HydrophobicContact CD2-CD1 4.45Å; L198-L304 HydrophobicContact CD2-CD2 3.93Å; L198-L304 HydrophobicContact CG-CD2 3.97Å
199	D	96	Very high	93.8	Very high	48 Å²	48	59.2 Å²	59.2	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-44.7	178.3	-169.1	91.7	0	0	0	111.4	I195 R197 N203 W232 K233	I195-D199 VanDerWaalsContact O-CB 3.32Å; I195-D199 WeakPolarHBondContact O-CB 3.27Å; I195-D199 PolarHBondContact O-N 2.97Å; R197-D199 PolarHBondContact O-N 2.99Å; D199-N203 WeakPolarHBondContact O-CB 3.32Å; D199-N203 PolarHBondContact O-N 2.83Å; D199-N203 PolarHBondContact O-ND2 2.82Å; D199-N203 PolarHBondContact OD2-ND2 3.22Å; D199-W232 HydrophobicContact CB-CH2 4.24Å; D199-W232 HydrophobicContact CB-CZ2 3.87Å; D199-K233 WeakPolarHBondContact OD1-CE 3.42Å; D199-K233 IonicContact OD1-NZ 2.75Å; D199-K233 PolarHBondContact OD1-NZ 2.83Å
200	R	95.4	Very high	93.6	Very high	168 Å²	168	58.3 Å²	58.3	63%	0.634	28%	0.28	S	S	*	.	H	α-helix	trans	-61.6	-48.2	175.2	-171.2	-170.9	-53.2	159.7	6.4	112.2	K196 R197 L198 N204	K196-R200 WeakPolarHBondContact O-CB 3.49Å; K196-R200 PolarHBondContact O-N 3.3Å; R197-R200 PolarHBondContact O-N 3.44Å; L198-R200 VanDerWaalsContact C-N 3.34Å; L198-R200 PolarHBondContact O-N 3.16Å; R200-N204 WeakPolarHBondContact O-CB 3.29Å; R200-N204 PolarHBondContact O-N 2.76Å; R200-N204 VanDerWaalsContact O-N 3.08Å
201	Y	93.9	Very high	93.3	Very high	17 Å²	17	61.5 Å²	61.5	7%	0.067	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-50.9	-178.8	-178	-91.6	0	0	0	111.3	R197 L198 N203 N204 L205 L244 L304 L307 E308 N311	R197-Y201 WeakPolarHBondContact O-CB 3.28Å; R197-Y201 PolarHBondContact O-N 3.15Å; L198-Y201 PolarHBondContact O-N 2.79Å; Y201-N203 PolarHBondContact O-N 2.79Å; Y201-N204 WeakPolarHBondContact O-CB 3.4Å; Y201-N204 PolarHBondContact O-N 3.1Å; Y201-N204 VanDerWaalsContact O-N 3.14Å; Y201-L205 HydrophobicContact CD1-CD1 4.29Å; Y201-L205 HydrophobicContact CD1-CG 4.36Å; Y201-L205 HydrophobicContact CE1-CD1 3.93Å; Y201-L205 HydrophobicContact CE1-CD2 4.04Å; Y201-L205 HydrophobicContact CE1-CG 4.05Å; Y201-L205 PolarHBondContact O-N 3.25Å; Y201-L205 VanDerWaalsContact O-N 3.13Å; Y201-L244 HydrophobicContact CD1-CD2 3.82Å; Y201-L244 HydrophobicContact CE1-CD2 3.85Å; Y201-L304 HydrophobicContact CD1-CD1 4.15Å; Y201-L304 HydrophobicContact CD2-CD1 3.98Å; Y201-L304 HydrophobicContact CG-CD1 3.68Å; Y201-L307 HydrophobicContact CE1-CD1 4.19Å; Y201-L307 HydrophobicContact CE2-CB 3.66Å; Y201-E308 HydrophobicContact CD2-CG 4.11Å; Y201-N311 WeakPolarHBondContact CE2-ND2 3.39Å
202	I	93.3	Very high	93	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-46.2	179.5	-69	170.7	0	0	0	110.2	L198 N204 L205 Y225 T229 W232 L240 L244	L198-I202 WeakPolarHBondContact O-CB 3.23Å; L198-I202 VanDerWaalsContact O-CG1 3.3Å; L198-I202 WeakPolarHBondContact O-CG1 3.5Å; L198-I202 PolarHBondContact O-N 3.42Å; I202-N204 VanDerWaalsContact C-N 3.26Å; I202-N204 PolarHBondContact O-N 2.72Å; I202-L205 VanDerWaalsContact O-CB 3.27Å; I202-L205 WeakPolarHBondContact O-CB 3.18Å; I202-L205 PolarHBondContact O-N 2.98Å; I202-Y225 WeakPolarHBondContact O-CE2 3.34Å; I202-T229 HydrophobicContact CG2-CG2 3.81Å; I202-W232 HydrophobicContact CD1-CB 4.34Å; I202-W232 HydrophobicContact CD1-CD2 3.39Å; I202-W232 HydrophobicContact CD1-CE3 3.62Å; I202-W232 HydrophobicContact CD1-CG 3.72Å; I202-W232 HydrophobicContact CD1-CH2 4.33Å; I202-W232 HydrophobicContact CD1-CZ2 4.15Å; I202-W232 HydrophobicContact CD1-CZ3 4.07Å; I202-L240 HydrophobicContact CD1-CD1 4.22Å; I202-L244 HydrophobicContact CG1-CD2 4.34Å
203	N	92.9	Very high	92.5	Very high	75 Å²	75	53.8 Å²	53.8	40%	0.401	26%	0.263	S	S	.	.	H	α-helix	trans	-60.8	-34.4	177.3	-75	-36.3	0	0	0	112.8	D199 Y201 L205 R206 Y225	D199-N203 WeakPolarHBondContact O-CB 3.32Å; D199-N203 PolarHBondContact O-N 2.83Å; D199-N203 PolarHBondContact O-ND2 2.82Å; D199-N203 PolarHBondContact OD2-ND2 3.22Å; Y201-N203 PolarHBondContact O-N 2.79Å; N203-L205 VanDerWaalsContact C-N 3.29Å; N203-L205 PolarHBondContact O-N 3.47Å; N203-R206 PolarHBondContact O-N 2.91Å; N203-Y225 PolarHBondContact OD1-OH 2.97Å
204	N	92.6	Very high	91.9	Very high	77 Å²	77	53.7 Å²	53.7	41%	0.412	26%	0.259	S	S	.	.	H	α-helix	trans	-71.4	-22.1	175.5	-170.5	62.1	0	0	0	113.3	R200 Y201 I202 R206 H207 T208	R200-N204 WeakPolarHBondContact O-CB 3.29Å; R200-N204 PolarHBondContact O-N 2.76Å; R200-N204 VanDerWaalsContact O-N 3.08Å; Y201-N204 WeakPolarHBondContact O-CB 3.4Å; Y201-N204 PolarHBondContact O-N 3.1Å; Y201-N204 VanDerWaalsContact O-N 3.14Å; I202-N204 VanDerWaalsContact C-N 3.26Å; I202-N204 PolarHBondContact O-N 2.72Å; N204-R206 PolarHBondContact O-N 3.06Å; N204-H207 PolarHBondContact O-N 3.42Å; N204-T208 PolarHBondContact O-N 2.92Å; N204-T208 PolarHBondContact O-OG1 2.67Å; N204-T208 VanDerWaalsContact O-OG1 3.07Å
205	L	89.7	Confident	91.2	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-26.2	175.8	-70.9	175.9	0	0	0	112.6	Y201 I202 N203 H207 T208 I209 Y225 L247	Y201-L205 HydrophobicContact CD1-CD1 4.29Å; Y201-L205 HydrophobicContact CD1-CG 4.36Å; Y201-L205 HydrophobicContact CE1-CD1 3.93Å; Y201-L205 HydrophobicContact CE1-CD2 4.04Å; Y201-L205 HydrophobicContact CE1-CG 4.05Å; Y201-L205 PolarHBondContact O-N 3.25Å; Y201-L205 VanDerWaalsContact O-N 3.13Å; I202-L205 VanDerWaalsContact O-CB 3.27Å; I202-L205 WeakPolarHBondContact O-CB 3.18Å; I202-L205 PolarHBondContact O-N 2.98Å; N203-L205 VanDerWaalsContact C-N 3.29Å; N203-L205 PolarHBondContact O-N 3.47Å; L205-H207 VanDerWaalsContact C-N 3.27Å; L205-H207 PolarHBondContact O-N 3.39Å; L205-T208 HydrophobicContact CD2-CG2 4.49Å; L205-T208 PolarHBondContact O-N 3.47Å; L205-T208 VanDerWaalsContact O-N 3.15Å; L205-I209 HydrophobicContact CB-CD1 4.47Å; L205-I209 WeakPolarHBondContact O-CB 3.49Å; L205-I209 WeakPolarHBondContact O-CG1 3.31Å; L205-I209 PolarHBondContact O-N 2.85Å; L205-Y225 HydrophobicContact CB-CD2 4.4Å; L205-Y225 HydrophobicContact CB-CE2 4.32Å; L205-L247 HydrophobicContact CD1-CB 4.18Å; L205-L247 HydrophobicContact CD1-CD1 3.43Å; L205-L247 VanDerWaalsContact CD1-CD1 3.43Å; L205-L247 HydrophobicContact CD1-CG 4.32Å
206	R	89.6	Confident	90.6	Very high	92 Å²	92	67.5 Å²	67.5	35%	0.347	33%	0.334	S	S	.	.	H	α-helix	trans	-53.9	-46.7	174	-176.2	-175.4	-69.1	-85.6	9.4	111.6	N203 N204 S210 Y225 E226	N203-R206 PolarHBondContact O-N 2.91Å; N204-R206 PolarHBondContact O-N 3.06Å; R206-S210 WeakPolarHBondContact O-CB 3.33Å; R206-S210 PolarHBondContact O-N 3.4Å; R206-S210 PolarHBondContact O-OG 3.33Å; R206-Y225 VanDerWaalsContact CA-CD2 3.44Å; R206-Y225 HydrophobicContact CB-CD1 4.24Å; R206-Y225 HydrophobicContact CB-CD2 3.75Å; R206-Y225 HydrophobicContact CB-CE1 4.26Å; R206-Y225 HydrophobicContact CB-CE2 3.73Å; R206-Y225 HydrophobicContact CB-CG 3.99Å; R206-Y225 HydrophobicContact CG-CD1 4.25Å; R206-Y225 HydrophobicContact CG-CD2 4.48Å; R206-Y225 HydrophobicContact CG-CG 4.23Å; R206-Y225 VanDerWaalsContact CZ-CD1 3.48Å; R206-E226 IonicContact NH1-OE1 3.66Å
207	H	90.3	Very high	90	Very high	127 Å²	127	65.6 Å²	65.6	59%	0.588	33%	0.326	S	S	*	.	H	α-helix	trans	-72.1	-39.4	178.1	-61.8	-62.4	0	0	0	111.5	N204 L205 S210 A211	N204-H207 PolarHBondContact O-N 3.42Å; L205-H207 VanDerWaalsContact C-N 3.27Å; L205-H207 PolarHBondContact O-N 3.39Å; H207-S210 PolarHBondContact O-N 2.84Å; H207-A211 PolarHBondContact O-N 3.1Å
208	T	89.8	Confident	89.5	Confident	21 Å²	21	70.5 Å²	70.5	13%	0.129	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-50.1	-179.3	-53.9	0	0	0	0	111.7	N204 L205 S210 A211 W212	N204-T208 PolarHBondContact O-N 2.92Å; N204-T208 PolarHBondContact O-OG1 2.67Å; N204-T208 VanDerWaalsContact O-OG1 3.07Å; L205-T208 HydrophobicContact CD2-CG2 4.49Å; L205-T208 PolarHBondContact O-N 3.47Å; L205-T208 VanDerWaalsContact O-N 3.15Å; T208-S210 VanDerWaalsContact C-N 3.3Å; T208-S210 PolarHBondContact O-N 2.99Å; T208-A211 PolarHBondContact O-N 3.36Å; T208-A211 VanDerWaalsContact O-N 3.08Å; T208-W212 HydrophobicContact CG2-CD2 3.97Å; T208-W212 HydrophobicContact CG2-CE3 4.29Å; T208-W212 HydrophobicContact CG2-CH2 3.61Å; T208-W212 HydrophobicContact CG2-CZ2 3.22Å; T208-W212 HydrophobicContact CG2-CZ3 4.12Å; T208-W212 PolarHBondContact O-N 3.43Å
209	I	87.9	Confident	89	Confident	1 Å²	1	76.5 Å²	76.5	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-41.2	175.7	-68.6	172.6	0	0	0	110.7	L205 A211 W212 I213 A221 Y225 I252	L205-I209 HydrophobicContact CB-CD1 4.47Å; L205-I209 WeakPolarHBondContact O-CB 3.49Å; L205-I209 WeakPolarHBondContact O-CG1 3.31Å; L205-I209 PolarHBondContact O-N 2.85Å; I209-A211 PolarHBondContact O-N 2.92Å; I209-W212 HydrophobicContact CG1-CE3 4.25Å; I209-W212 HydrophobicContact CG1-CZ3 4.36Å; I209-W212 PolarHBondContact O-N 2.86Å; I209-I213 HydrophobicContact CG2-CD1 3.72Å; I209-I213 PolarHBondContact O-N 3.34Å; I209-I213 VanDerWaalsContact O-N 3.16Å; I209-A221 HydrophobicContact CG2-CB 4.13Å; I209-Y225 HydrophobicContact CD1-CD2 4.32Å; I209-I252 HydrophobicContact CD1-CD1 4.14Å; I209-I252 HydrophobicContact CG1-CD1 4.35Å; I209-I252 HydrophobicContact CG1-CG1 4.39Å; I209-I252 HydrophobicContact CG2-CG2 4.18Å
210	S	89.2	Confident	88.5	Confident	44 Å²	44	78 Å²	78	31%	0.308	39%	0.389	S	S	.	.	H	α-helix	trans	-63.4	-29.8	176.4	-60.4	0	0	0	0	113.2	R206 H207 T208	R206-S210 WeakPolarHBondContact O-CB 3.33Å; R206-S210 PolarHBondContact O-N 3.4Å; R206-S210 PolarHBondContact O-OG 3.33Å; H207-S210 PolarHBondContact O-N 2.84Å; T208-S210 VanDerWaalsContact C-N 3.3Å; T208-S210 PolarHBondContact O-N 2.99Å
211	A	89.4	Confident	88.1	Confident	76 Å²	76	70.1 Å²	70.1	63%	0.628	36%	0.359	S	S	*	.	H	α-helix	trans	-82.5	-24.8	176.3	0	0	0	0	0	113.1	H207 T208 I209	H207-A211 PolarHBondContact O-N 3.1Å; T208-A211 PolarHBondContact O-N 3.36Å; T208-A211 VanDerWaalsContact O-N 3.08Å; I209-A211 PolarHBondContact O-N 2.92Å
212	W	88.3	Confident	87.8	Confident	55 Å²	55	71.1 Å²	71.1	21%	0.208	37%	0.369	C	S	.	.	H	α-helix	trans	-77.7	-30.7	177.1	-69.7	-16.8	0	0	0	113.4	T208 I209 L247 R249 I252	T208-W212 HydrophobicContact CG2-CD2 3.97Å; T208-W212 HydrophobicContact CG2-CE3 4.29Å; T208-W212 HydrophobicContact CG2-CH2 3.61Å; T208-W212 HydrophobicContact CG2-CZ2 3.22Å; T208-W212 HydrophobicContact CG2-CZ3 4.12Å; T208-W212 PolarHBondContact O-N 3.43Å; I209-W212 HydrophobicContact CG1-CE3 4.25Å; I209-W212 HydrophobicContact CG1-CZ3 4.36Å; I209-W212 PolarHBondContact O-N 2.86Å; W212-L247 WeakPolarHBondContact CH2-O 3.44Å; W212-R249 HydrophobicContact CB-CG 4.09Å; W212-R249 HydrophobicContact CD2-CB 3.82Å; W212-R249 HydrophobicContact CD2-CG 4.04Å; W212-R249 HydrophobicContact CE3-CB 4.28Å; W212-R249 HydrophobicContact CG-CB 4.07Å; W212-R249 HydrophobicContact CG-CG 3.74Å; W212-R249 HydrophobicContact CZ2-CB 4.21Å; W212-I252 HydrophobicContact CE3-CB 4.08Å; W212-I252 HydrophobicContact CE3-CG1 3.94Å; W212-I252 HydrophobicContact CE3-CG2 4.28Å; W212-I252 HydrophobicContact CZ3-CB 4.41Å; W212-I252 HydrophobicContact CZ3-CG1 3.81Å
213	I	84.4	Confident	87.4	Confident	19 Å²	19	75.4 Å²	75.4	10%	0.097	39%	0.386	C	S	.	.	S	Bend	trans	-94.1	145.3	-177.7	-66.5	170.4	0	0	0	109.7	I209 K217 F220 A221 L224 I252	I209-I213 HydrophobicContact CG2-CD1 3.72Å; I209-I213 PolarHBondContact O-N 3.34Å; I209-I213 VanDerWaalsContact O-N 3.16Å; I213-K217 HydrophobicContact CG2-CB 3.44Å; I213-K217 VanDerWaalsContact CG2-CB 3.44Å; I213-K217 HydrophobicContact CG2-CD 4.39Å; I213-F220 HydrophobicContact CD1-CD1 4.26Å; I213-A221 HydrophobicContact CB-CB 4.19Å; I213-A221 HydrophobicContact CD1-CB 3.69Å; I213-A221 HydrophobicContact CG2-CB 4.31Å; I213-L224 HydrophobicContact CD1-CD1 3.68Å; I213-I252 HydrophobicContact CD1-CG2 4.07Å; I213-I252 HydrophobicContact CG1-CG2 4.37Å
214	E	84.3	Confident	87.1	Confident	101 Å²	101	72.1 Å²	72.1	47%	0.472	37%	0.368	S	S	.	.			trans	-52.6	141	176.5	-70.1	160.8	-169.8	0	0	111.7	E216 K217	E214-E216 PolarHBondContact O-N 3.32Å; E214-K217 HydrophobicContact CB-CD 4.43Å; E214-K217 PolarHBondContact O-N 2.93Å; E214-K217 IonicContact OE1-NZ 2.61Å; E214-K217 VanDerWaalsContact OE2-CE 3.32Å; E214-K217 WeakPolarHBondContact OE2-CE 3.45Å; E214-K217 IonicContact OE2-NZ 2.85Å; E214-K217 PolarHBondContact OE2-NZ 3.02Å
215	P	81.3	Confident	86.9	Confident	123 Å²	123	69.1 Å²	69.1	80%	0.799	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-54.7	-33.3	-176	-28.1	35.1	0	0	0	114.6	K217 K218	P215-K217 PolarHBondContact O-N 3.33Å; P215-K218 PolarHBondContact O-N 3.21Å
216	E	83.7	Confident	86.8	Confident	190 Å²	190	74.2 Å²	74.2	89%	0.888	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-67	-21.5	178.9	-61.6	177	-160.4	0	0	112.9	E214	E214-E216 PolarHBondContact O-N 3.32Å
217	K	85.4	Confident	86.6	Confident	100 Å²	100	70.9 Å²	70.9	44%	0.435	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-99.6	22.5	-179	-69.4	171.3	-178	153	0	112.5	I213 E214 P215 V219 F220 A221	I213-K217 HydrophobicContact CG2-CB 3.44Å; I213-K217 VanDerWaalsContact CG2-CB 3.44Å; I213-K217 HydrophobicContact CG2-CD 4.39Å; E214-K217 HydrophobicContact CB-CD 4.43Å; E214-K217 PolarHBondContact O-N 2.93Å; E214-K217 IonicContact OE1-NZ 2.61Å; E214-K217 VanDerWaalsContact OE2-CE 3.32Å; E214-K217 WeakPolarHBondContact OE2-CE 3.45Å; E214-K217 IonicContact OE2-NZ 2.85Å; E214-K217 PolarHBondContact OE2-NZ 3.02Å; P215-K217 PolarHBondContact O-N 3.33Å; K217-V219 VanDerWaalsContact C-N 3.26Å; K217-V219 PolarHBondContact O-N 3.34Å; K217-F220 HydrophobicContact CB-CB 4.35Å; K217-F220 WeakPolarHBondContact O-CA 3.33Å; K217-F220 WeakPolarHBondContact O-CB 3.47Å; K217-F220 PolarHBondContact O-N 3.18Å; K217-A221 PolarHBondContact O-N 2.84Å
218	K	85.4	Confident	86.4	Confident	143 Å²	143	65.1 Å²	65.1	62%	0.622	34%	0.339	S	S	*	.	H	α-helix	trans	-53.1	-38.3	179.8	-173.1	177	-178.8	179.2	0	114	P215 F220 A221 S222	P215-K218 PolarHBondContact O-N 3.21Å; K218-F220 VanDerWaalsContact C-N 3.32Å; K218-F220 PolarHBondContact O-N 3.05Å; K218-A221 WeakPolarHBondContact O-CB 3.49Å; K218-A221 PolarHBondContact O-N 3.03Å; K218-S222 PolarHBondContact O-N 3.01Å; K218-S222 PolarHBondContact O-OG 3.33Å
219	V	86.8	Confident	86.3	Confident	126 Å²	126	64.6 Å²	64.6	76%	0.764	34%	0.335	S	S	*	.	H	α-helix	trans	-63.3	-40.9	176.8	178.6	0	0	0	0	111.1	K217 S222 Y223	K217-V219 VanDerWaalsContact C-N 3.26Å; K217-V219 PolarHBondContact O-N 3.34Å; V219-S222 PolarHBondContact O-N 2.88Å; V219-Y223 PolarHBondContact O-N 3.47Å
220	F	85.4	Confident	86.1	Confident	81 Å²	81	68.1 Å²	68.1	36%	0.355	35%	0.35	S	S	.	.	H	α-helix	trans	-67.3	-39.7	176.2	179.1	-114.1	0	0	0	111.7	I213 K217 K218 S222 Y223 L224	I213-F220 HydrophobicContact CD1-CD1 4.26Å; K217-F220 HydrophobicContact CB-CB 4.35Å; K217-F220 WeakPolarHBondContact O-CA 3.33Å; K217-F220 WeakPolarHBondContact O-CB 3.47Å; K217-F220 PolarHBondContact O-N 3.18Å; K218-F220 VanDerWaalsContact C-N 3.32Å; K218-F220 PolarHBondContact O-N 3.05Å; F220-S222 PolarHBondContact O-N 3.42Å; F220-Y223 HydrophobicContact CD2-CD1 4.32Å; F220-Y223 HydrophobicContact CE2-CD1 4.47Å; F220-Y223 WeakPolarHBondContact O-CB 3.44Å; F220-Y223 PolarHBondContact O-N 3.29Å; F220-L224 HydrophobicContact CD1-CD1 3.91Å; F220-L224 HydrophobicContact CD1-CG 4.41Å; F220-L224 HydrophobicContact CD2-CG 4.42Å; F220-L224 HydrophobicContact CE1-CD1 3.41Å; F220-L224 VanDerWaalsContact CE1-CD1 3.41Å; F220-L224 HydrophobicContact CE1-CG 4.07Å; F220-L224 HydrophobicContact CE2-CD1 4.3Å; F220-L224 HydrophobicContact CE2-CD2 4.13Å; F220-L224 HydrophobicContact CE2-CG 4.07Å; F220-L224 HydrophobicContact CZ-CD1 3.64Å; F220-L224 HydrophobicContact CZ-CD2 3.96Å; F220-L224 HydrophobicContact CZ-CG 3.89Å; F220-L224 WeakPolarHBondContact O-CG 3.32Å; F220-L224 PolarHBondContact O-N 3Å
221	A	86.2	Confident	86	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.008	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-45.8	174.1	0	0	0	0	0	112.6	I209 I213 K217 K218 L224 Y225	I209-A221 HydrophobicContact CG2-CB 4.13Å; I213-A221 HydrophobicContact CB-CB 4.19Å; I213-A221 HydrophobicContact CD1-CB 3.69Å; I213-A221 HydrophobicContact CG2-CB 4.31Å; K217-A221 PolarHBondContact O-N 2.84Å; K218-A221 WeakPolarHBondContact O-CB 3.49Å; K218-A221 PolarHBondContact O-N 3.03Å; A221-L224 PolarHBondContact O-N 2.74Å; A221-Y225 PolarHBondContact O-N 2.88Å
222	S	86.9	Confident	86.2	Confident	38 Å²	38	66.6 Å²	66.6	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-43.5	174.9	-66.7	0	0	0	0	112	K218 V219 F220 Y225 E226	K218-S222 PolarHBondContact O-N 3.01Å; K218-S222 PolarHBondContact O-OG 3.33Å; V219-S222 PolarHBondContact O-N 2.88Å; F220-S222 PolarHBondContact O-N 3.42Å; S222-Y225 PolarHBondContact O-N 2.95Å; S222-E226 WeakPolarHBondContact O-CB 3.39Å; S222-E226 WeakPolarHBondContact O-CG 3.38Å; S222-E226 PolarHBondContact O-N 2.85Å
223	Y	86.9	Confident	86.4	Confident	91 Å²	91	68.3 Å²	68.3	36%	0.357	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-46	176.6	170.1	-103.9	0	0	0	112.2	V219 F220 E226 T227	V219-Y223 PolarHBondContact O-N 3.47Å; F220-Y223 HydrophobicContact CD2-CD1 4.32Å; F220-Y223 HydrophobicContact CE2-CD1 4.47Å; F220-Y223 WeakPolarHBondContact O-CB 3.44Å; F220-Y223 PolarHBondContact O-N 3.29Å; Y223-E226 PolarHBondContact O-N 2.71Å; Y223-T227 VanDerWaalsContact CE2-OG1 3.31Å; Y223-T227 WeakPolarHBondContact CE2-OG1 3.48Å; Y223-T227 PolarHBondContact O-N 3.15Å; Y223-T227 PolarHBondContact O-OG1 2.85Å
224	L	86	Confident	86.8	Confident	7 Å²	7	72.2 Å²	72.2	4%	0.037	35%	0.354	C	S	.	.	H	α-helix	trans	-60.5	-47.3	175.7	-73.7	178.6	0	0	0	111.1	I213 F220 A221 E226 T227 L228 I252 R255	I213-L224 HydrophobicContact CD1-CD1 3.68Å; F220-L224 HydrophobicContact CD1-CD1 3.91Å; F220-L224 HydrophobicContact CD1-CG 4.41Å; F220-L224 HydrophobicContact CD2-CG 4.42Å; F220-L224 HydrophobicContact CE1-CD1 3.41Å; F220-L224 VanDerWaalsContact CE1-CD1 3.41Å; F220-L224 HydrophobicContact CE1-CG 4.07Å; F220-L224 HydrophobicContact CE2-CD1 4.3Å; F220-L224 HydrophobicContact CE2-CD2 4.13Å; F220-L224 HydrophobicContact CE2-CG 4.07Å; F220-L224 HydrophobicContact CZ-CD1 3.64Å; F220-L224 HydrophobicContact CZ-CD2 3.96Å; F220-L224 HydrophobicContact CZ-CG 3.89Å; F220-L224 WeakPolarHBondContact O-CG 3.32Å; F220-L224 PolarHBondContact O-N 3Å; A221-L224 PolarHBondContact O-N 2.74Å; L224-E226 PolarHBondContact O-N 3.49Å; L224-T227 PolarHBondContact O-N 2.74Å; L224-L228 WeakPolarHBondContact O-CB 3.5Å; L224-L228 WeakPolarHBondContact O-CG 3.33Å; L224-L228 PolarHBondContact O-N 2.99Å; L224-I252 HydrophobicContact CD1-CG2 4.25Å; L224-R255 HydrophobicContact CD1-CB 4.2Å; L224-R255 HydrophobicContact CD1-CG 4.49Å; L224-R255 HydrophobicContact CD2-CB 3.62Å; L224-R255 HydrophobicContact CD2-CG 4.06Å
225	Y	88.3	Confident	87.1	Confident	13 Å²	13	68 Å²	68	5%	0.051	33%	0.334	C	S	.	.	H	α-helix	trans	-56.9	-50.3	176.5	172.1	-92.4	0	0	0	112	I202 N203 L205 R206 I209 A221 S222 T227 L228 T229	I202-Y225 WeakPolarHBondContact O-CE2 3.34Å; N203-Y225 PolarHBondContact OD1-OH 2.97Å; L205-Y225 HydrophobicContact CB-CD2 4.4Å; L205-Y225 HydrophobicContact CB-CE2 4.32Å; R206-Y225 VanDerWaalsContact CA-CD2 3.44Å; R206-Y225 HydrophobicContact CB-CD1 4.24Å; R206-Y225 HydrophobicContact CB-CD2 3.75Å; R206-Y225 HydrophobicContact CB-CE1 4.26Å; R206-Y225 HydrophobicContact CB-CE2 3.73Å; R206-Y225 HydrophobicContact CB-CG 3.99Å; R206-Y225 HydrophobicContact CG-CD1 4.25Å; R206-Y225 HydrophobicContact CG-CD2 4.48Å; R206-Y225 HydrophobicContact CG-CG 4.23Å; R206-Y225 VanDerWaalsContact CZ-CD1 3.48Å; I209-Y225 HydrophobicContact CD1-CD2 4.32Å; A221-Y225 PolarHBondContact O-N 2.88Å; S222-Y225 PolarHBondContact O-N 2.95Å; Y225-T227 VanDerWaalsContact C-N 3.3Å; Y225-T227 PolarHBondContact O-N 3.46Å; Y225-L228 PolarHBondContact O-N 3.49Å; Y225-T229 HydrophobicContact CD2-CG2 4.19Å; Y225-T229 HydrophobicContact CE2-CG2 4.05Å; Y225-T229 WeakPolarHBondContact O-CB 3.26Å; Y225-T229 PolarHBondContact O-N 3.05Å; Y225-T229 VanDerWaalsContact O-N 3.11Å; Y225-T229 PolarHBondContact O-OG1 3.09Å
226	E	87.3	Confident	87.8	Confident	109 Å²	109	65.2 Å²	65.2	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-37.1	-175.7	-76.6	174.4	-170.8	0	0	112.3	R206 S222 Y223 L224 K230	R206-E226 IonicContact NH1-OE1 3.66Å; S222-E226 WeakPolarHBondContact O-CB 3.39Å; S222-E226 WeakPolarHBondContact O-CG 3.38Å; S222-E226 PolarHBondContact O-N 2.85Å; Y223-E226 PolarHBondContact O-N 2.71Å; L224-E226 PolarHBondContact O-N 3.49Å; E226-K230 WeakPolarHBondContact O-CB 3.31Å; E226-K230 PolarHBondContact O-N 3.07Å
227	T	85.1	Confident	88.3	Confident	23 Å²	23	56.7 Å²	56.7	14%	0.141	27%	0.269	C	S	.	.	H	α-helix	trans	-87.2	-27.3	-177.8	-29.3	0	0	0	0	112.5	Y223 L224 Y225 D614	Y223-T227 VanDerWaalsContact CE2-OG1 3.31Å; Y223-T227 WeakPolarHBondContact CE2-OG1 3.48Å; Y223-T227 PolarHBondContact O-N 3.15Å; Y223-T227 PolarHBondContact O-OG1 2.85Å; L224-T227 PolarHBondContact O-N 2.74Å; Y225-T227 VanDerWaalsContact C-N 3.3Å; Y225-T227 PolarHBondContact O-N 3.46Å; T227-D614 VanDerWaalsContact CB-OD1 3.27Å; T227-D614 WeakPolarHBondContact CB-OD1 3.44Å; T227-D614 VanDerWaalsContact CG2-CG 3.5Å; T227-D614 WeakPolarHBondContact CG2-OD1 3.29Å
228	L	85.6	Confident	88.7	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-81.7	-28	178.9	-65.1	-177.4	0	0	0	114.2	L224 Y225 L247 I252	L224-L228 WeakPolarHBondContact O-CB 3.5Å; L224-L228 WeakPolarHBondContact O-CG 3.33Å; L224-L228 PolarHBondContact O-N 2.99Å; Y225-L228 PolarHBondContact O-N 3.49Å; L228-L247 HydrophobicContact CB-CD2 4.27Å; L228-L247 HydrophobicContact CD1-CD2 3.92Å; L228-I252 HydrophobicContact CD1-CD1 3.46Å; L228-I252 VanDerWaalsContact CD1-CD1 3.46Å
229	T	87.6	Confident	89	Confident	10 Å²	10	46.4 Å²	46.4	6%	0.061	22%	0.224	C	C	.	.	S	Bend	trans	-109.7	4.6	-175.7	67.7	0	0	0	0	112	I202 Y225 D231 W232	I202-T229 HydrophobicContact CG2-CG2 3.81Å; Y225-T229 HydrophobicContact CD2-CG2 4.19Å; Y225-T229 HydrophobicContact CE2-CG2 4.05Å; Y225-T229 WeakPolarHBondContact O-CB 3.26Å; Y225-T229 PolarHBondContact O-N 3.05Å; Y225-T229 VanDerWaalsContact O-N 3.11Å; Y225-T229 PolarHBondContact O-OG1 3.09Å; T229-D231 PolarHBondContact O-N 3.41Å; T229-W232 VanDerWaalsContact O-CD1 3.25Å; T229-W232 PolarHBondContact O-N 3.2Å
230	K	85.3	Confident	89.3	Confident	74 Å²	74	40.4 Å²	40.4	32%	0.322	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	136.3	179.5	-150.3	-169.1	161.8	-120.3	0	109.8	E226 W232 E621 D622	E226-K230 WeakPolarHBondContact O-CB 3.31Å; E226-K230 PolarHBondContact O-N 3.07Å; K230-W232 PolarHBondContact O-N 3.01Å; K230-E621 WeakPolarHBondContact CB-OE2 3.15Å; K230-D622 IonicContact NZ-OD2 3.37Å; K230-D622 PolarHBondContact NZ-OD2 2.82Å
231	D	87.5	Confident	89.6	Confident	71 Å²	71	37.4 Å²	37.4	38%	0.38	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	27.4	170.9	-51.5	-33	0	0	0	113.3	T229 K233 E234 K235	T229-D231 PolarHBondContact O-N 3.41Å; D231-K233 PolarHBondContact O-N 2.98Å; D231-E234 HydrophobicContact CB-CB 4.45Å; D231-E234 HydrophobicContact CB-CG 4.41Å; D231-E234 WeakPolarHBondContact O-CA 3.19Å; D231-E234 WeakPolarHBondContact O-CB 3.42Å; D231-E234 PolarHBondContact O-N 3.36Å; D231-K235 PolarHBondContact O-N 3.02Å
232	W	91.7	Very high	89.7	Confident	17 Å²	17	38.6 Å²	38.6	6%	0.064	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-58.7	-24.3	-176.2	72.4	-95.3	0	0	0	112.5	I186 I195 L198 D199 I202 T229 K230 E234 K235 L240	I186-W232 HydrophobicContact CD1-CE3 3.79Å; I186-W232 HydrophobicContact CD1-CH2 3.65Å; I186-W232 HydrophobicContact CD1-CZ3 3.13Å; I195-W232 HydrophobicContact CG2-CH2 4.48Å; L198-W232 HydrophobicContact CB-CH2 3.63Å; L198-W232 HydrophobicContact CB-CZ3 3.72Å; L198-W232 HydrophobicContact CD1-CZ3 4.2Å; D199-W232 HydrophobicContact CB-CH2 4.24Å; D199-W232 HydrophobicContact CB-CZ2 3.87Å; I202-W232 HydrophobicContact CD1-CB 4.34Å; I202-W232 HydrophobicContact CD1-CD2 3.39Å; I202-W232 HydrophobicContact CD1-CE3 3.62Å; I202-W232 HydrophobicContact CD1-CG 3.72Å; I202-W232 HydrophobicContact CD1-CH2 4.33Å; I202-W232 HydrophobicContact CD1-CZ2 4.15Å; I202-W232 HydrophobicContact CD1-CZ3 4.07Å; T229-W232 VanDerWaalsContact O-CD1 3.25Å; T229-W232 PolarHBondContact O-N 3.2Å; K230-W232 PolarHBondContact O-N 3.01Å; W232-E234 PolarHBondContact O-N 3.49Å; W232-K235 PolarHBondContact O-N 3.21Å; W232-L240 HydrophobicContact CB-CD1 4.23Å; W232-L240 HydrophobicContact CD2-CD1 4.5Å; W232-L240 HydrophobicContact CE3-CD1 3.75Å; W232-L240 HydrophobicContact CE3-CD2 3.97Å; W232-L240 HydrophobicContact CZ3-CD2 4.02Å
233	K	93.2	Very high	89.8	Confident	91 Å²	91	37.8 Å²	37.8	40%	0.396	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-71.9	-13.4	175.1	-61	-175.3	177.9	173.4	0	113.9	I186 D199 D231	I186-K233 HydrophobicContact CD1-CB 4.13Å; I186-K233 HydrophobicContact CD1-CG 3.98Å; I186-K233 HydrophobicContact CG1-CB 4.12Å; I186-K233 HydrophobicContact CG1-CG 4.44Å; I186-K233 WeakPolarHBondContact CG2-O 3.46Å; I186-K233 PolarHBondContact N-O 3.45Å; D199-K233 WeakPolarHBondContact OD1-CE 3.42Å; D199-K233 IonicContact OD1-NZ 2.75Å; D199-K233 PolarHBondContact OD1-NZ 2.83Å; D231-K233 PolarHBondContact O-N 2.98Å
234	E	92.2	Very high	89.9	Confident	101 Å²	101	33.5 Å²	33.5	47%	0.472	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-101.3	-10.4	176	-56.3	-177.3	-178.1	0	0	111.8	L180 D231 W232	L180-E234 WeakPolarHBondContact CB-O 3.44Å; L180-E234 WeakPolarHBondContact CG-O 3.03Å; L180-E234 PolarHBondContact N-O 3.39Å; D231-E234 HydrophobicContact CB-CB 4.45Å; D231-E234 HydrophobicContact CB-CG 4.41Å; D231-E234 WeakPolarHBondContact O-CA 3.19Å; D231-E234 WeakPolarHBondContact O-CB 3.42Å; D231-E234 PolarHBondContact O-N 3.36Å; W232-E234 PolarHBondContact O-N 3.49Å
235	K	92.4	Very high	89.8	Confident	14 Å²	14	37 Å²	37	6%	0.061	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-74.7	148.6	175.8	-63	-175.1	-169.3	-72.4	0	111.1	I186 D231 W232 L243 E621	I186-K235 WeakPolarHBondContact CG2-O 3.47Å; D231-K235 PolarHBondContact O-N 3.02Å; W232-K235 PolarHBondContact O-N 3.21Å; K235-L243 HydrophobicContact CD-CD2 4.39Å; K235-E621 WeakPolarHBondContact CE-OE1 3.35Å; K235-E621 IonicContact NZ-OE1 3.74Å; K235-E621 PolarHBondContact NZ-OE1 3.34Å
236	R	94.2	Very high	89.6	Confident	64 Å²	64	36.4 Å²	36.4	24%	0.242	17%	0.174	C	C	.	.			trans	-68.7	152.2	174.2	-50	164.1	167.6	-110	1.4	110.2	Q178 V179 L180 I238 W239 L240 N289	Q178-R236 WeakPolarHBondContact O-CG 3.39Å; Q178-R236 PolarHBondContact O-N 3.46Å; V179-R236 PolarHBondContact O-NE 3.05Å; L180-R236 HydrophobicContact CD2-CB 4.23Å; L180-R236 HydrophobicContact CD2-CG 3.81Å; L180-R236 HydrophobicContact CG-CG 4.05Å; R236-I238 VanDerWaalsContact C-N 3.25Å; R236-I238 PolarHBondContact O-N 3.4Å; R236-I238 VanDerWaalsContact O-N 3.12Å; R236-W239 PolarHBondContact O-N 3.05Å; R236-L240 PolarHBondContact O-N 3.2Å; R236-L240 VanDerWaalsContact O-N 3.1Å; R236-N289 WeakPolarHBondContact CD-OD1 3.38Å
237	P	94.5	Very high	89.5	Confident	11 Å²	11	31.5 Å²	31.5	7%	0.071	15%	0.151	C	C	.	.	H	α-helix	trans	-53.2	-37.3	-176.8	-31.2	37.6	0	0	0	115	L189 L190 W239 L240 L241 V296 L300	L189-P237 HydrophobicContact CB-CG 4.36Å; L189-P237 HydrophobicContact CD1-CG 4.02Å; L190-P237 HydrophobicContact CD2-CB 4.29Å; L190-P237 HydrophobicContact CD2-CG 4.12Å; P237-W239 PolarHBondContact O-N 3.42Å; P237-L240 WeakPolarHBondContact O-CB 3.4Å; P237-L240 PolarHBondContact O-N 3.39Å; P237-L241 PolarHBondContact O-N 3.09Å; P237-V296 VanDerWaalsContact C-CG1 3.44Å; P237-V296 HydrophobicContact CB-CB 4.32Å; P237-V296 HydrophobicContact CB-CG1 3.62Å; P237-L300 HydrophobicContact CB-CD1 3.98Å
238	I	93.4	Very high	89.4	Confident	11 Å²	11	32.3 Å²	32.3	6%	0.056	16%	0.156	C	C	.	.	H	α-helix	trans	-67	-39.6	-179.3	-174.5	61	0	0	0	111.4	R236 L240 L241 L242 L288 I291 V296	R236-I238 VanDerWaalsContact C-N 3.25Å; R236-I238 PolarHBondContact O-N 3.4Å; R236-I238 VanDerWaalsContact O-N 3.12Å; I238-L240 VanDerWaalsContact C-N 3.29Å; I238-L240 PolarHBondContact O-N 3.06Å; I238-L241 HydrophobicContact CD1-CD2 4.12Å; I238-L241 WeakPolarHBondContact O-CB 3.36Å; I238-L241 PolarHBondContact O-N 3.22Å; I238-L242 WeakPolarHBondContact O-CG 3.4Å; I238-L242 PolarHBondContact O-N 2.99Å; I238-L288 HydrophobicContact CG1-CB 4.15Å; I238-L288 HydrophobicContact CG1-CD2 4.13Å; I238-L288 HydrophobicContact CG2-CB 4.22Å; I238-I291 HydrophobicContact CD1-CD1 3.63Å; I238-I291 HydrophobicContact CG1-CD1 3.84Å; I238-V296 HydrophobicContact CB-CG1 4.18Å; I238-V296 HydrophobicContact CB-CG2 4.34Å; I238-V296 HydrophobicContact CD1-CG1 4.38Å; I238-V296 HydrophobicContact CD1-CG2 4.31Å
239	W	93.2	Very high	89.4	Confident	15 Å²	15	39.3 Å²	39.3	6%	0.057	18%	0.182	C	C	.	.	H	α-helix	trans	-69.3	-31.2	176.3	-61.3	111.8	0	0	0	111.7	C177 Q178 R236 P237 L242 L243 L288 N289	C177-W239 VanDerWaalsContact SG-CZ2 3.56Å; Q178-W239 VanDerWaalsContact CA-CD1 3.44Å; Q178-W239 HydrophobicContact CB-CB 4.37Å; Q178-W239 HydrophobicContact CB-CD2 4.05Å; Q178-W239 HydrophobicContact CB-CG 3.88Å; Q178-W239 HydrophobicContact CG-CD2 3.6Å; Q178-W239 HydrophobicContact CG-CE3 3.77Å; Q178-W239 HydrophobicContact CG-CG 3.98Å; Q178-W239 HydrophobicContact CG-CH2 4.27Å; Q178-W239 HydrophobicContact CG-CZ2 4.15Å; Q178-W239 HydrophobicContact CG-CZ3 4.1Å; Q178-W239 VanDerWaalsContact O-CD1 3.27Å; R236-W239 PolarHBondContact O-N 3.05Å; P237-W239 PolarHBondContact O-N 3.42Å; W239-L242 HydrophobicContact CE3-CD1 3.82Å; W239-L242 HydrophobicContact CZ3-CD1 3.97Å; W239-L243 WeakPolarHBondContact O-CB 3.42Å; W239-L243 PolarHBondContact O-N 3.26Å; W239-L288 HydrophobicContact CH2-CD1 3.55Å; W239-L288 HydrophobicContact CZ2-CB 4.37Å; W239-L288 HydrophobicContact CZ2-CD1 3.81Å; W239-L288 HydrophobicContact CZ3-CD1 4.07Å; W239-N289 PolarHBondContact NE1-OD1 3.18Å
240	L	93	Very high	89.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.1	-39.9	171.2	-166.4	65.2	0	0	0	111.7	L198 I202 W232 R236 P237 I238 L243 L244 L300	L198-L240 HydrophobicContact CD1-CD2 3.68Å; L198-L240 HydrophobicContact CD2-CD2 4.01Å; L198-L240 HydrophobicContact CG-CD2 4.41Å; I202-L240 HydrophobicContact CD1-CD1 4.22Å; W232-L240 HydrophobicContact CB-CD1 4.23Å; W232-L240 HydrophobicContact CD2-CD1 4.5Å; W232-L240 HydrophobicContact CE3-CD1 3.75Å; W232-L240 HydrophobicContact CE3-CD2 3.97Å; W232-L240 HydrophobicContact CZ3-CD2 4.02Å; R236-L240 PolarHBondContact O-N 3.2Å; R236-L240 VanDerWaalsContact O-N 3.1Å; P237-L240 WeakPolarHBondContact O-CB 3.4Å; P237-L240 PolarHBondContact O-N 3.39Å; I238-L240 VanDerWaalsContact C-N 3.29Å; I238-L240 PolarHBondContact O-N 3.06Å; L240-L243 HydrophobicContact CD1-CD2 4.27Å; L240-L243 PolarHBondContact O-N 3.17Å; L240-L244 VanDerWaalsContact O-CG 3.31Å; L240-L244 WeakPolarHBondContact O-CG 3.15Å; L240-L244 PolarHBondContact O-N 3.18Å; L240-L300 HydrophobicContact CB-CD2 4.38Å; L240-L300 HydrophobicContact CG-CD2 4.35Å
241	L	90.4	Very high	88.9	Confident	18 Å²	18	38.4 Å²	38.4	9%	0.094	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-47.5	176.1	176	62.9	0	0	0	111.3	P237 I238 L244 N245 A299 L300 T303	P237-L241 PolarHBondContact O-N 3.09Å; I238-L241 HydrophobicContact CD1-CD2 4.12Å; I238-L241 WeakPolarHBondContact O-CB 3.36Å; I238-L241 PolarHBondContact O-N 3.22Å; L241-L244 PolarHBondContact O-N 2.79Å; L241-N245 PolarHBondContact O-N 3.41Å; L241-N245 PolarHBondContact O-ND2 2.72Å; L241-A299 HydrophobicContact CD1-CB 4.45Å; L241-A299 HydrophobicContact CD2-CB 3.74Å; L241-L300 HydrophobicContact CB-CD2 3.73Å; L241-L300 HydrophobicContact CB-CG 4.07Å; L241-L300 HydrophobicContact CD1-CD2 4.14Å; L241-L300 HydrophobicContact CD1-CG 4.43Å; L241-T303 HydrophobicContact CD1-CG2 4.04Å; L241-T303 WeakPolarHBondContact CD1-OG1 3.34Å
242	L	89	Confident	88.8	Confident	26 Å²	26	35 Å²	35	14%	0.136	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-41.8	176.7	-66.3	178.2	0	0	0	111.7	I238 W239 N245 S246 L288 W617	I238-L242 WeakPolarHBondContact O-CG 3.4Å; I238-L242 PolarHBondContact O-N 2.99Å; W239-L242 HydrophobicContact CE3-CD1 3.82Å; W239-L242 HydrophobicContact CZ3-CD1 3.97Å; L242-N245 PolarHBondContact O-N 3.35Å; L242-S246 WeakPolarHBondContact O-CB 3.47Å; L242-S246 PolarHBondContact O-N 3.06Å; L242-S246 VanDerWaalsContact O-N 3.15Å; L242-L288 HydrophobicContact CD1-CD1 4.12Å; L242-W617 HydrophobicContact CB-CG 4.35Å; L242-W617 HydrophobicContact CD1-CD2 4.39Å; L242-W617 HydrophobicContact CD1-CG 4.31Å; L242-W617 HydrophobicContact CD2-CD2 4.19Å; L242-W617 HydrophobicContact CD2-CH2 4.3Å; L242-W617 HydrophobicContact CD2-CZ2 3.86Å
243	L	89.4	Confident	88.5	Confident	22 Å²	22	41.5 Å²	41.5	12%	0.115	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-52.3	176.1	175.3	61.7	0	0	0	110.8	K235 W239 L240 N245 S246 L247	K235-L243 HydrophobicContact CD-CD2 4.39Å; W239-L243 WeakPolarHBondContact O-CB 3.42Å; W239-L243 PolarHBondContact O-N 3.26Å; L240-L243 HydrophobicContact CD1-CD2 4.27Å; L240-L243 PolarHBondContact O-N 3.17Å; L243-N245 VanDerWaalsContact C-N 3.3Å; L243-N245 PolarHBondContact O-N 3.46Å; L243-S246 WeakPolarHBondContact O-CA 3.37Å; L243-S246 WeakPolarHBondContact O-CB 3.27Å; L243-S246 PolarHBondContact O-N 2.85Å; L243-S246 PolarHBondContact O-OG 3.38Å; L243-L247 HydrophobicContact CD1-CD1 3.98Å; L243-L247 HydrophobicContact CD1-CD2 4.26Å; L243-L247 HydrophobicContact CD1-CG 4.15Å; L243-L247 HydrophobicContact CG-CD1 3.94Å; L243-L247 WeakPolarHBondContact O-CG 3.47Å; L243-L247 PolarHBondContact O-N 2.71Å
244	L	89.1	Confident	88.1	Confident	1 Å²	1	38 Å²	38	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-40.7	-177.9	-71.5	173.7	0	0	0	112.8	L198 Y201 I202 L240 L241 S246 L247 L300 T303 L307	L198-L244 HydrophobicContact CD2-CD1 3.64Å; Y201-L244 HydrophobicContact CD1-CD2 3.82Å; Y201-L244 HydrophobicContact CE1-CD2 3.85Å; I202-L244 HydrophobicContact CG1-CD2 4.34Å; L240-L244 VanDerWaalsContact O-CG 3.31Å; L240-L244 WeakPolarHBondContact O-CG 3.15Å; L240-L244 PolarHBondContact O-N 3.18Å; L241-L244 PolarHBondContact O-N 2.79Å; L244-S246 PolarHBondContact O-N 3.4Å; L244-L247 PolarHBondContact O-N 2.84Å; L244-L300 HydrophobicContact CD1-CD2 3.9Å; L244-T303 HydrophobicContact CB-CG2 4.46Å; L244-L307 HydrophobicContact CB-CD1 3.94Å
245	N	84.3	Confident	87.7	Confident	79 Å²	79	33.9 Å²	33.9	42%	0.422	16%	0.158	S	C	.	.	H	α-helix	trans	-70	-20.7	177	-75.1	-76.7	0	0	0	112.9	L241 L242 L243 T303	L241-N245 PolarHBondContact O-N 3.41Å; L241-N245 PolarHBondContact O-ND2 2.72Å; L242-N245 PolarHBondContact O-N 3.35Å; L243-N245 VanDerWaalsContact C-N 3.3Å; L243-N245 PolarHBondContact O-N 3.46Å; N245-T303 WeakPolarHBondContact ND2-CG2 3.41Å
246	S	83.7	Confident	87	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.014	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.1	177.2	81.2	0	0	0	0	114.9	L242 L243 L244 T248 E251 R255	L242-S246 WeakPolarHBondContact O-CB 3.47Å; L242-S246 PolarHBondContact O-N 3.06Å; L242-S246 VanDerWaalsContact O-N 3.15Å; L243-S246 WeakPolarHBondContact O-CA 3.37Å; L243-S246 WeakPolarHBondContact O-CB 3.27Å; L243-S246 PolarHBondContact O-N 2.85Å; L243-S246 PolarHBondContact O-OG 3.38Å; L244-S246 PolarHBondContact O-N 3.4Å; S246-T248 VanDerWaalsContact C-N 3.29Å; S246-T248 PolarHBondContact O-N 3.28Å; S246-E251 VanDerWaalsContact CA-OE2 3.23Å; S246-E251 WeakPolarHBondContact CA-OE2 3.36Å; S246-E251 WeakPolarHBondContact CB-OE2 3.43Å; S246-E251 VanDerWaalsContact O-CB 3.3Å; S246-E251 WeakPolarHBondContact O-CB 3.07Å; S246-R255 PolarHBondContact O-NH2 3.27Å
247	L	85.2	Confident	86.7	Confident	6 Å²	6	33.5 Å²	33.5	3%	0.031	17%	0.17	C	C	.	.			trans	-94.6	55.5	-175.9	-66.1	170.9	0	0	0	110.8	L205 W212 L228 L243 L244 I252	L205-L247 HydrophobicContact CD1-CB 4.18Å; L205-L247 HydrophobicContact CD1-CD1 3.43Å; L205-L247 VanDerWaalsContact CD1-CD1 3.43Å; L205-L247 HydrophobicContact CD1-CG 4.32Å; W212-L247 WeakPolarHBondContact CH2-O 3.44Å; L228-L247 HydrophobicContact CB-CD2 4.27Å; L228-L247 HydrophobicContact CD1-CD2 3.92Å; L243-L247 HydrophobicContact CD1-CD1 3.98Å; L243-L247 HydrophobicContact CD1-CD2 4.26Å; L243-L247 HydrophobicContact CD1-CG 4.15Å; L243-L247 HydrophobicContact CG-CD1 3.94Å; L243-L247 WeakPolarHBondContact O-CG 3.47Å; L243-L247 PolarHBondContact O-N 2.71Å; L244-L247 PolarHBondContact O-N 2.84Å; L247-I252 HydrophobicContact CD2-CD1 4Å
248	T	82.1	Confident	86.5	Confident	40 Å²	40	33.5 Å²	33.5	25%	0.245	17%	0.17	C	C	.	.	S	Bend	trans	-102.2	161.1	176.4	71.1	0	0	0	0	111.5	S246 S250 E251 I252	S246-T248 VanDerWaalsContact C-N 3.29Å; S246-T248 PolarHBondContact O-N 3.28Å; T248-S250 VanDerWaalsContact C-N 3.33Å; T248-S250 PolarHBondContact O-N 3.01Å; T248-E251 PolarHBondContact O-N 3.22Å; T248-E251 WeakPolarHBondContact OG1-CB 3.41Å; T248-E251 PolarHBondContact OG1-N 2.85Å; T248-I252 WeakPolarHBondContact O-CB 3.39Å; T248-I252 WeakPolarHBondContact O-CG1 3.43Å; T248-I252 PolarHBondContact O-N 2.79Å
249	R	85.4	Confident	86.4	Confident	153 Å²	153	33.5 Å²	33.5	58%	0.577	17%	0.171	S	C	*	.	H	α-helix	trans	-55.4	-47.5	178.4	-176.2	174.7	-170.4	152.9	6.7	112.5	W212 I252 F253	W212-R249 HydrophobicContact CB-CG 4.09Å; W212-R249 HydrophobicContact CD2-CB 3.82Å; W212-R249 HydrophobicContact CD2-CG 4.04Å; W212-R249 HydrophobicContact CE3-CB 4.28Å; W212-R249 HydrophobicContact CG-CB 4.07Å; W212-R249 HydrophobicContact CG-CG 3.74Å; W212-R249 HydrophobicContact CZ2-CB 4.21Å; R249-I252 PolarHBondContact O-N 3.12Å; R249-F253 PolarHBondContact O-N 3.01Å
250	S	81.8	Confident	86.5	Confident	32 Å²	32	32.8 Å²	32.8	22%	0.224	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-48.9	-178.9	-158.1	0	0	0	0	110.6	T248 I252 F253 D254 E379	T248-S250 VanDerWaalsContact C-N 3.33Å; T248-S250 PolarHBondContact O-N 3.01Å; S250-I252 VanDerWaalsContact C-N 3.35Å; S250-I252 PolarHBondContact O-N 2.61Å; S250-F253 WeakPolarHBondContact O-CB 3.27Å; S250-F253 PolarHBondContact O-N 3.09Å; S250-F253 VanDerWaalsContact O-N 3.15Å; S250-D254 PolarHBondContact O-N 3.28Å; S250-D254 VanDerWaalsContact O-N 3.1Å; S250-E379 WeakPolarHBondContact CB-OE1 3.38Å; S250-E379 PolarHBondContact OG-OE1 2.97Å
251	E	82.2	Confident	86.5	Confident	32 Å²	32	33.7 Å²	33.7	15%	0.15	17%	0.173	C	C	.	.	H	α-helix	trans	-68.3	-29.4	179	-76.8	-158.3	-150.3	0	0	114.9	S246 T248 R255 S616	S246-E251 VanDerWaalsContact CA-OE2 3.23Å; S246-E251 WeakPolarHBondContact CA-OE2 3.36Å; S246-E251 WeakPolarHBondContact CB-OE2 3.43Å; S246-E251 VanDerWaalsContact O-CB 3.3Å; S246-E251 WeakPolarHBondContact O-CB 3.07Å; T248-E251 PolarHBondContact O-N 3.22Å; T248-E251 WeakPolarHBondContact OG1-CB 3.41Å; T248-E251 PolarHBondContact OG1-N 2.85Å; E251-R255 WeakPolarHBondContact O-CD 3.34Å; E251-R255 WeakPolarHBondContact O-CG 3.41Å; E251-R255 PolarHBondContact O-NE 2.9Å; E251-R255 IonicContact OE2-NH2 3.46Å; E251-S616 WeakPolarHBondContact OE2-CB 3.16Å; E251-S616 PolarHBondContact OE2-OG 3.48Å
252	I	85	Confident	86.7	Confident	1 Å²	1	34 Å²	34	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-70.6	-38.6	173.6	-71.6	-62.8	0	0	0	110.6	I209 W212 I213 L224 L228 L247 T248 R249 S250 D254 R255	I209-I252 HydrophobicContact CD1-CD1 4.14Å; I209-I252 HydrophobicContact CG1-CD1 4.35Å; I209-I252 HydrophobicContact CG1-CG1 4.39Å; I209-I252 HydrophobicContact CG2-CG2 4.18Å; W212-I252 HydrophobicContact CE3-CB 4.08Å; W212-I252 HydrophobicContact CE3-CG1 3.94Å; W212-I252 HydrophobicContact CE3-CG2 4.28Å; W212-I252 HydrophobicContact CZ3-CB 4.41Å; W212-I252 HydrophobicContact CZ3-CG1 3.81Å; I213-I252 HydrophobicContact CD1-CG2 4.07Å; I213-I252 HydrophobicContact CG1-CG2 4.37Å; L224-I252 HydrophobicContact CD1-CG2 4.25Å; L228-I252 HydrophobicContact CD1-CD1 3.46Å; L228-I252 VanDerWaalsContact CD1-CD1 3.46Å; L247-I252 HydrophobicContact CD2-CD1 4Å; T248-I252 WeakPolarHBondContact O-CB 3.39Å; T248-I252 WeakPolarHBondContact O-CG1 3.43Å; T248-I252 PolarHBondContact O-N 2.79Å; R249-I252 PolarHBondContact O-N 3.12Å; S250-I252 VanDerWaalsContact C-N 3.35Å; S250-I252 PolarHBondContact O-N 2.61Å; I252-D254 VanDerWaalsContact C-N 3.3Å; I252-D254 PolarHBondContact O-N 3.09Å; I252-R255 HydrophobicContact CD1-CG 4.46Å; I252-R255 WeakPolarHBondContact O-CB 3.48Å; I252-R255 VanDerWaalsContact O-CG 3.25Å; I252-R255 WeakPolarHBondContact O-CG 3.43Å; I252-R255 PolarHBondContact O-N 2.91Å
253	F	84.6	Confident	87.1	Confident	152 Å²	152	33.8 Å²	33.8	67%	0.667	17%	0.172	S	C	*	.	H	α-helix	trans	-64	-37.4	176.4	-172	-94.2	0	0	0	111.9	R249 S250 R255	R249-F253 PolarHBondContact O-N 3.01Å; S250-F253 WeakPolarHBondContact O-CB 3.27Å; S250-F253 PolarHBondContact O-N 3.09Å; S250-F253 VanDerWaalsContact O-N 3.15Å; F253-R255 PolarHBondContact O-N 3.34Å
254	D	85.8	Confident	87.5	Confident	18 Å²	18	33 Å²	33	10%	0.096	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	0.9	177.8	-68.3	-23.2	0	0	0	114.4	A137 H140 S250 I252 G256 V257	A137-D254 HydrophobicContact CB-CB 3.94Å; H140-D254 IonicContact CD2-OD2 3.38Å; H140-D254 PolarHBondContact CD2-OD2 3.06Å; H140-D254 IonicContact CE1-OD1 3.2Å; H140-D254 IonicContact CE1-OD2 2.8Å; H140-D254 IonicContact NE2-OD1 2.97Å; H140-D254 PolarHBondContact NE2-OD1 3.46Å; H140-D254 IonicContact NE2-OD2 3.18Å; H140-D254 PolarHBondContact NE2-OD2 2.99Å; S250-D254 PolarHBondContact O-N 3.28Å; S250-D254 VanDerWaalsContact O-N 3.1Å; I252-D254 VanDerWaalsContact C-N 3.3Å; I252-D254 PolarHBondContact O-N 3.09Å; D254-G256 PolarHBondContact O-N 3.19Å; D254-V257 WeakPolarHBondContact O-CB 3.46Å; D254-V257 PolarHBondContact O-N 3.24Å
255	R	83.6	Confident	87.8	Confident	15 Å²	15	33 Å²	33	6%	0.057	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	125.7	178.4	-60.9	-64.1	167.3	124.3	4.4	110.2	L224 S246 E251 I252 F253 S616	L224-R255 HydrophobicContact CD1-CB 4.2Å; L224-R255 HydrophobicContact CD1-CG 4.49Å; L224-R255 HydrophobicContact CD2-CB 3.62Å; L224-R255 HydrophobicContact CD2-CG 4.06Å; S246-R255 PolarHBondContact O-NH2 3.27Å; E251-R255 WeakPolarHBondContact O-CD 3.34Å; E251-R255 WeakPolarHBondContact O-CG 3.41Å; E251-R255 PolarHBondContact O-NE 2.9Å; E251-R255 IonicContact OE2-NH2 3.46Å; I252-R255 HydrophobicContact CD1-CG 4.46Å; I252-R255 WeakPolarHBondContact O-CB 3.48Å; I252-R255 VanDerWaalsContact O-CG 3.25Å; I252-R255 WeakPolarHBondContact O-CG 3.43Å; I252-R255 PolarHBondContact O-N 2.91Å; F253-R255 PolarHBondContact O-N 3.34Å; R255-S616 PolarHBondContact NH2-OG 3.21Å
256	G	78.4	Confident	88.3	Confident	30 Å²	30	32.1 Å²	32.1	31%	0.309	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.4	-12	-172.9	0	0	0	0	0	113.6	D254	D254-G256 PolarHBondContact O-N 3.19Å
257	V	86	Confident	88.9	Confident	40 Å²	40	33.2 Å²	33.2	24%	0.242	17%	0.167	C	C	.	.	S	Bend	trans	-87.6	127.5	170	-172.2	0	0	0	0	108.9	A137 Y138 T139 D254 V259	A137-V257 HydrophobicContact CB-CB 4.03Å; A137-V257 HydrophobicContact CB-CG1 3.76Å; Y138-V257 HydrophobicContact CD1-CG1 3.83Å; Y138-V257 HydrophobicContact CE1-CG1 3.83Å; T139-V257 HydrophobicContact CG2-CG1 4.04Å; D254-V257 WeakPolarHBondContact O-CB 3.46Å; D254-V257 PolarHBondContact O-N 3.24Å; V257-V259 PolarHBondContact O-N 2.9Å
258	P	90.1	Very high	89.5	Confident	11 Å²	11	32.9 Å²	32.9	7%	0.071	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-58.6	137.9	173.8	-24.2	34.2	0	0	0	111.4	Y138 L262 F263	Y138-P258 HydrophobicContact CD1-CB 4.47Å; Y138-P258 WeakPolarHBondContact CD1-O 3.44Å; Y138-P258 PolarHBondContact N-O 3.45Å; P258-L262 HydrophobicContact CB-CB 4.46Å; P258-L262 HydrophobicContact CB-CD2 4.23Å; P258-L262 HydrophobicContact CB-CG 4.29Å; P258-F263 HydrophobicContact CB-CB 4.16Å
259	V	91.6	Very high	90.2	Very high	11 Å²	11	36.2 Å²	36.2	7%	0.067	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-66.6	156.4	165	-64.4	0	0	0	0	110.1	V136 V257 D261 L262 F263	V136-V259 CarbonylContact O-C 3.52Å; V136-V259 WeakPolarHBondContact O-CA 3.49Å; V257-V259 PolarHBondContact O-N 2.9Å; V259-D261 PolarHBondContact O-N 3Å; V259-D261 VanDerWaalsContact O-N 3.17Å; V259-L262 HydrophobicContact CG2-CB 3.81Å; V259-L262 PolarHBondContact O-N 3.09Å; V259-L262 VanDerWaalsContact O-N 3.09Å; V259-F263 WeakPolarHBondContact O-CB 3.43Å; V259-F263 PolarHBondContact O-N 2.84Å
260	L	95.4	Very high	90.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-51.7	-41.8	-176.5	-179.6	63.1	0	0	0	112.9	F131 T133 V136 V141 W142 I145 F263 L264	F131-L260 HydrophobicContact CE1-CD2 4.28Å; T133-L260 HydrophobicContact CG2-CD2 4.19Å; T133-L260 HydrophobicContact CG2-CG 4.48Å; V136-L260 PolarHBondContact O-N 3.05Å; V141-L260 HydrophobicContact CG2-CB 4.39Å; V141-L260 HydrophobicContact CG2-CD1 4.35Å; V141-L260 HydrophobicContact CG2-CD2 3.99Å; V141-L260 HydrophobicContact CG2-CG 4.48Å; W142-L260 HydrophobicContact CE3-CD1 4.1Å; I145-L260 HydrophobicContact CD1-CD1 3.77Å; I145-L260 HydrophobicContact CD1-CD2 3.76Å; I145-L260 HydrophobicContact CD1-CG 4.44Å; L260-F263 HydrophobicContact CD1-CD1 4.43Å; L260-F263 PolarHBondContact O-N 2.95Å; L260-L264 HydrophobicContact CD1-CD1 4.23Å; L260-L264 HydrophobicContact CD1-CG 4.16Å; L260-L264 HydrophobicContact CG-CD1 4.14Å; L260-L264 HydrophobicContact CG-CG 4.46Å; L260-L264 WeakPolarHBondContact O-CB 3.25Å; L260-L264 WeakPolarHBondContact O-CG 3.42Å; L260-L264 PolarHBondContact O-N 3.17Å
261	D	94.4	Very high	91.4	Very high	18 Å²	18	36.7 Å²	36.7	10%	0.096	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-48.4	179.8	-42.6	-83.7	0	0	0	111.5	T133 H135 V259 L264 A265	T133-D261 WeakPolarHBondContact CB-OD1 3.33Å; T133-D261 PolarHBondContact OG1-OD1 3.28Å; H135-D261 IonicContact CE1-OD2 3.06Å; H135-D261 IonicContact CG-OD2 2.85Å; H135-D261 IonicContact ND1-OD2 3.35Å; H135-D261 PolarHBondContact ND1-OD2 3.44Å; V259-D261 PolarHBondContact O-N 3Å; V259-D261 VanDerWaalsContact O-N 3.17Å; D261-L264 PolarHBondContact O-N 3.17Å; D261-A265 WeakPolarHBondContact O-CB 3.42Å; D261-A265 PolarHBondContact O-N 3.15Å
262	L	94.6	Very high	92	Very high	25 Å²	25	38.3 Å²	38.3	13%	0.131	20%	0.204	C	C	.	.	H	α-helix	trans	-67.3	-39.9	178.3	176.7	61.2	0	0	0	111.2	L165 T166 P258 V259 A265 Q266	L165-L262 HydrophobicContact CB-CD1 3.81Å; L165-L262 HydrophobicContact CD1-CB 4.38Å; T166-L262 HydrophobicContact CG2-CD1 4.44Å; P258-L262 HydrophobicContact CB-CB 4.46Å; P258-L262 HydrophobicContact CB-CD2 4.23Å; P258-L262 HydrophobicContact CB-CG 4.29Å; V259-L262 HydrophobicContact CG2-CB 3.81Å; V259-L262 PolarHBondContact O-N 3.09Å; V259-L262 VanDerWaalsContact O-N 3.09Å; L262-A265 PolarHBondContact O-N 2.71Å; L262-Q266 HydrophobicContact CD1-CG 4.15Å; L262-Q266 HydrophobicContact CG-CG 4.4Å; L262-Q266 WeakPolarHBondContact O-CB 3.1Å; L262-Q266 VanDerWaalsContact O-CG 3.25Å; L262-Q266 WeakPolarHBondContact O-CG 3.32Å; L262-Q266 PolarHBondContact O-N 2.99Å
263	F	96.1	Very high	92.6	Very high	22 Å²	22	40 Å²	40	10%	0.096	21%	0.211	C	C	.	.	H	α-helix	trans	-59.1	-48.3	175.8	171.8	-102.3	0	0	0	111.1	Y138 W142 P258 V259 L260 A265 Q266 E267	Y138-F263 HydrophobicContact CD1-CB 4.26Å; Y138-F263 HydrophobicContact CD1-CD2 4.08Å; Y138-F263 HydrophobicContact CD1-CG 4.2Å; Y138-F263 AromaticContact CD2-CD1 3.99Å; Y138-F263 HydrophobicContact CD2-CD1 3.99Å; Y138-F263 AromaticContact CD2-CD2 3.88Å; Y138-F263 HydrophobicContact CD2-CD2 3.88Å; Y138-F263 HydrophobicContact CD2-CE1 4.06Å; Y138-F263 AromaticContact CD2-CE2 3.96Å; Y138-F263 HydrophobicContact CD2-CE2 3.96Å; Y138-F263 AromaticContact CD2-CG 3.9Å; Y138-F263 HydrophobicContact CD2-CG 3.9Å; Y138-F263 HydrophobicContact CD2-CZ 4.05Å; Y138-F263 HydrophobicContact CE1-CD2 4.2Å; Y138-F263 HydrophobicContact CE2-CD2 4.02Å; Y138-F263 AromaticContact CE2-CE2 3.79Å; Y138-F263 HydrophobicContact CE2-CE2 3.79Å; Y138-F263 HydrophobicContact CE2-CG 4.49Å; Y138-F263 HydrophobicContact CE2-CZ 4.07Å; Y138-F263 HydrophobicContact CG-CB 4.01Å; Y138-F263 HydrophobicContact CG-CD1 4.14Å; Y138-F263 AromaticContact CG-CD2 3.93Å; Y138-F263 HydrophobicContact CG-CD2 3.93Å; Y138-F263 HydrophobicContact CG-CE2 4.46Å; Y138-F263 AromaticContact CG-CG 3.74Å; Y138-F263 HydrophobicContact CG-CG 3.74Å; W142-F263 AromaticContact CD2-CE1 3.89Å; W142-F263 HydrophobicContact CD2-CE1 3.89Å; W142-F263 HydrophobicContact CD2-CZ 4.5Å; W142-F263 AromaticContact CE2-CE1 3.95Å; W142-F263 HydrophobicContact CE3-CD1 4.3Å; W142-F263 AromaticContact CE3-CE1 3.78Å; W142-F263 HydrophobicContact CE3-CE1 3.78Å; W142-F263 AromaticContact CH2-CE1 3.87Å; W142-F263 HydrophobicContact CH2-CE1 3.87Å; W142-F263 AromaticContact CZ2-CE1 3.95Å; W142-F263 HydrophobicContact CZ2-CE1 3.95Å; W142-F263 HydrophobicContact CZ2-CZ 4.35Å; W142-F263 HydrophobicContact CZ3-CD1 4.38Å; W142-F263 AromaticContact CZ3-CE1 3.79Å; W142-F263 HydrophobicContact CZ3-CE1 3.79Å; P258-F263 HydrophobicContact CB-CB 4.16Å; V259-F263 WeakPolarHBondContact O-CB 3.43Å; V259-F263 PolarHBondContact O-N 2.84Å; L260-F263 HydrophobicContact CD1-CD1 4.43Å; L260-F263 PolarHBondContact O-N 2.95Å; F263-A265 VanDerWaalsContact C-N 3.33Å; F263-A265 PolarHBondContact O-N 3.38Å; F263-Q266 PolarHBondContact O-N 3.43Å; F263-E267 WeakPolarHBondContact O-CB 3.34Å; F263-E267 PolarHBondContact O-N 3.4Å
264	L	97.3	Very high	93.2	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-38.1	176.9	-72	175.4	0	0	0	112	F131 T133 W142 F153 F161 L260 D261 E267 A268 A529	F131-L264 HydrophobicContact CD1-CD1 4.27Å; F131-L264 HydrophobicContact CE1-CD1 4.13Å; T133-L264 HydrophobicContact CG2-CD1 4.06Å; W142-L264 HydrophobicContact CH2-CD2 4.43Å; W142-L264 HydrophobicContact CZ3-CD2 3.98Å; F153-L264 HydrophobicContact CD2-CD2 4.16Å; F153-L264 HydrophobicContact CE2-CB 4.21Å; F153-L264 HydrophobicContact CE2-CD2 3.98Å; F153-L264 HydrophobicContact CZ-CD2 4.33Å; F153-L264 WeakPolarHBondContact CZ-O 3.29Å; F161-L264 HydrophobicContact CE1-CB 3.62Å; F161-L264 HydrophobicContact CZ-CB 3.95Å; L260-L264 HydrophobicContact CD1-CD1 4.23Å; L260-L264 HydrophobicContact CD1-CG 4.16Å; L260-L264 HydrophobicContact CG-CD1 4.14Å; L260-L264 HydrophobicContact CG-CG 4.46Å; L260-L264 WeakPolarHBondContact O-CB 3.25Å; L260-L264 WeakPolarHBondContact O-CG 3.42Å; L260-L264 PolarHBondContact O-N 3.17Å; D261-L264 PolarHBondContact O-N 3.17Å; L264-E267 PolarHBondContact O-N 3.22Å; L264-A268 WeakPolarHBondContact O-CB 3.3Å; L264-A268 PolarHBondContact O-N 3.25Å; L264-A529 HydrophobicContact CD1-CB 4.17Å
265	A	96.3	Very high	93.7	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-43.6	176.4	0	0	0	0	0	112	F161 T166 D261 L262 F263 E267 A268 Q269	F161-A265 HydrophobicContact CD2-CB 3.96Å; F161-A265 HydrophobicContact CE1-CB 4.21Å; F161-A265 VanDerWaalsContact CE2-CA 3.48Å; F161-A265 HydrophobicContact CE2-CB 3.52Å; F161-A265 HydrophobicContact CG-CB 4.49Å; F161-A265 HydrophobicContact CZ-CB 3.67Å; F161-A265 VanDerWaalsContact CZ-N 3.25Å; T166-A265 HydrophobicContact CG2-CB 3.7Å; D261-A265 WeakPolarHBondContact O-CB 3.42Å; D261-A265 PolarHBondContact O-N 3.15Å; L262-A265 PolarHBondContact O-N 2.71Å; F263-A265 VanDerWaalsContact C-N 3.33Å; F263-A265 PolarHBondContact O-N 3.38Å; A265-E267 VanDerWaalsContact C-N 3.3Å; A265-E267 PolarHBondContact O-N 2.99Å; A265-A268 PolarHBondContact O-N 3.03Å; A265-Q269 PolarHBondContact O-N 2.85Å
266	Q	95.7	Very high	94.4	Very high	59 Å²	59	39.5 Å²	39.5	28%	0.276	22%	0.215	S	C	.	.	H	α-helix	trans	-60.9	-39.8	173.1	-72.8	173	-13.6	0	0	111.6	L262 F263 Q269 R270	L262-Q266 HydrophobicContact CD1-CG 4.15Å; L262-Q266 HydrophobicContact CG-CG 4.4Å; L262-Q266 WeakPolarHBondContact O-CB 3.1Å; L262-Q266 VanDerWaalsContact O-CG 3.25Å; L262-Q266 WeakPolarHBondContact O-CG 3.32Å; L262-Q266 PolarHBondContact O-N 2.99Å; F263-Q266 PolarHBondContact O-N 3.43Å; Q266-Q269 PolarHBondContact O-N 3.48Å; Q266-R270 VanDerWaalsContact O-CB 3.32Å; Q266-R270 WeakPolarHBondContact O-CB 3.18Å; Q266-R270 PolarHBondContact O-N 3.48Å
267	E	95.8	Very high	95.3	Very high	25 Å²	25	39.4 Å²	39.4	12%	0.117	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-40.1	178.3	-173.5	58.4	-161.9	0	0	112	F153 F263 L264 A265 Q269 R270 L271 I598	F153-E267 HydrophobicContact CE1-CB 4.34Å; F153-E267 HydrophobicContact CE1-CG 3.87Å; F153-E267 HydrophobicContact CZ-CB 4.27Å; F153-E267 HydrophobicContact CZ-CG 4.31Å; F263-E267 WeakPolarHBondContact O-CB 3.34Å; F263-E267 PolarHBondContact O-N 3.4Å; L264-E267 PolarHBondContact O-N 3.22Å; A265-E267 VanDerWaalsContact C-N 3.3Å; A265-E267 PolarHBondContact O-N 2.99Å; E267-Q269 VanDerWaalsContact C-N 3.34Å; E267-Q269 PolarHBondContact O-N 3.43Å; E267-R270 VanDerWaalsContact CD-NE 3.35Å; E267-R270 PolarHBondContact O-N 2.87Å; E267-R270 IonicContact OE1-CZ 2.92Å; E267-R270 IonicContact OE1-NE 3.78Å; E267-R270 PolarHBondContact OE1-NE 3.45Å; E267-R270 IonicContact OE1-NH2 3.71Å; E267-R270 PolarHBondContact OE1-NH2 2.98Å; E267-R270 IonicContact OE2-CZ 3.54Å; E267-R270 IonicContact OE2-NE 3.33Å; E267-R270 PolarHBondContact OE2-NE 2.79Å; E267-R270 IonicContact OE2-NH2 3.23Å; E267-L271 HydrophobicContact CG-CD1 4.1Å; E267-L271 WeakPolarHBondContact O-CB 3.33Å; E267-L271 VanDerWaalsContact O-CG 3.27Å; E267-L271 WeakPolarHBondContact O-CG 3.21Å; E267-L271 PolarHBondContact O-N 3.21Å; E267-I598 VanDerWaalsContact OE1-CD1 3.31Å; E267-I598 WeakPolarHBondContact OE1-CD1 3.49Å
268	A	97.7	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.3	-46.5	172.7	0	0	0	0	0	110.9	F153 V159 L264 A265 L271 G272 K273 H275	F153-A268 HydrophobicContact CZ-CB 3.97Å; V159-A268 HydrophobicContact CB-CB 4.05Å; V159-A268 HydrophobicContact CG2-CB 3.92Å; L264-A268 WeakPolarHBondContact O-CB 3.3Å; L264-A268 PolarHBondContact O-N 3.25Å; A265-A268 PolarHBondContact O-N 3.03Å; A268-L271 PolarHBondContact O-N 2.74Å; A268-G272 PolarHBondContact O-N 3.04Å; A268-K273 HydrophobicContact CB-CB 4.28Å; A268-K273 WeakPolarHBondContact O-CB 3.3Å; A268-K273 PolarHBondContact O-N 2.55Å; A268-H275 HydrophobicContact CB-CB 4.34Å
269	Q	95.5	Very high	96.2	Very high	110 Å²	110	37.5 Å²	37.5	51%	0.514	20%	0.199	S	C	.	.	H	α-helix	trans	-62.1	-44.2	175.8	-175.1	-178.7	-27.1	0	0	111.9	A265 Q266 E267 L271 G272	A265-Q269 PolarHBondContact O-N 2.85Å; Q266-Q269 PolarHBondContact O-N 3.48Å; E267-Q269 VanDerWaalsContact C-N 3.34Å; E267-Q269 PolarHBondContact O-N 3.43Å; Q269-L271 VanDerWaalsContact C-N 3.29Å; Q269-L271 PolarHBondContact O-N 3.2Å; Q269-G272 PolarHBondContact O-N 2.96Å
270	R	96.1	Very high	96.5	Very high	140 Å²	140	43.1 Å²	43.1	53%	0.528	22%	0.224	S	C	.	.	H	α-helix	trans	-60.7	-39.1	178	-169.2	-166.5	72	73.8	1.6	111.9	Q266 E267 G272	Q266-R270 VanDerWaalsContact O-CB 3.32Å; Q266-R270 WeakPolarHBondContact O-CB 3.18Å; Q266-R270 PolarHBondContact O-N 3.48Å; E267-R270 VanDerWaalsContact CD-NE 3.35Å; E267-R270 PolarHBondContact O-N 2.87Å; E267-R270 IonicContact OE1-CZ 2.92Å; E267-R270 IonicContact OE1-NE 3.78Å; E267-R270 PolarHBondContact OE1-NE 3.45Å; E267-R270 IonicContact OE1-NH2 3.71Å; E267-R270 PolarHBondContact OE1-NH2 2.98Å; E267-R270 IonicContact OE2-CZ 3.54Å; E267-R270 IonicContact OE2-NE 3.33Å; E267-R270 PolarHBondContact OE2-NE 2.79Å; E267-R270 IonicContact OE2-NH2 3.23Å; R270-G272 PolarHBondContact O-N 3.09Å
271	L	96.3	Very high	96.5	Very high	54 Å²	54	43.3 Å²	43.3	28%	0.283	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	0.2	176.6	-68.2	173.3	0	0	0	113.4	F153 E267 A268 Q269 K273	F153-L271 HydrophobicContact CE1-CD1 4.03Å; E267-L271 HydrophobicContact CG-CD1 4.1Å; E267-L271 WeakPolarHBondContact O-CB 3.33Å; E267-L271 VanDerWaalsContact O-CG 3.27Å; E267-L271 WeakPolarHBondContact O-CG 3.21Å; E267-L271 PolarHBondContact O-N 3.21Å; A268-L271 PolarHBondContact O-N 2.74Å; Q269-L271 VanDerWaalsContact C-N 3.29Å; Q269-L271 PolarHBondContact O-N 3.2Å; L271-K273 HydrophobicContact CB-CD 4.41Å; L271-K273 HydrophobicContact CB-CG 4.07Å; L271-K273 PolarHBondContact O-N 2.86Å
272	G	96.4	Very high	96.5	Very high	67 Å²	67	47.6 Å²	47.6	69%	0.691	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	20.2	-179	0	0	0	0	0	114	A268 Q269 R270	A268-G272 PolarHBondContact O-N 3.04Å; Q269-G272 PolarHBondContact O-N 2.96Å; R270-G272 PolarHBondContact O-N 3.09Å
273	K	97.5	Very high	96.5	Very high	35 Å²	35	48.3 Å²	48.3	15%	0.152	25%	0.252	C	S	.	.			trans	-72.2	148.7	175.1	-61.5	-177.5	-178.4	-63.6	0	109.6	F153 A154 S156 V159 A268 L271	F153-K273 WeakPolarHBondContact O-CE 3.38Å; A154-K273 PolarHBondContact O-NZ 3.2Å; S156-K273 PolarHBondContact O-NZ 3.21Å; V159-K273 HydrophobicContact CG2-CB 4.43Å; V159-K273 HydrophobicContact CG2-CD 3.84Å; A268-K273 HydrophobicContact CB-CB 4.28Å; A268-K273 WeakPolarHBondContact O-CB 3.3Å; A268-K273 PolarHBondContact O-N 2.55Å; L271-K273 HydrophobicContact CB-CD 4.41Å; L271-K273 HydrophobicContact CB-CG 4.07Å; L271-K273 PolarHBondContact O-N 2.86Å
274	Q	96.7	Very high	96.3	Very high	107 Å²	107	48.5 Å²	48.5	50%	0.5	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	136.5	166.4	-64.7	-177.5	28.2	0	0	108	I158 V159	I158-Q274 CarbonylContact C-O 3.46Å; I158-Q274 WeakPolarHBondContact CA-O 3.43Å; I158-Q274 HydrophobicContact CB-CB 4.42Å; I158-Q274 HydrophobicContact CG1-CB 4.18Å; I158-Q274 HydrophobicContact CG2-CB 3.97Å; V159-Q274 PolarHBondContact N-O 3.4Å
275	H	97.2	Very high	96.2	Very high	56 Å²	56	48.2 Å²	48.2	26%	0.259	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	160.4	175.5	64.8	84.2	0	0	0	112.6	V159 F161 D164 T166 A268	V159-H275 CarbonylContact O-C 3.51Å; V159-H275 WeakPolarHBondContact O-CA 3.39Å; V159-H275 WeakPolarHBondContact O-CB 3.35Å; F161-H275 HydrophobicContact CE2-CB 4.34Å; D164-H275 IonicContact OD1-CE1 2.85Å; D164-H275 IonicContact OD1-ND1 3Å; D164-H275 IonicContact OD2-CE1 3.38Å; D164-H275 PolarHBondContact OD2-CE1 3.14Å; D164-H275 IonicContact OD2-ND1 3.85Å; D164-H275 PolarHBondContact OD2-ND1 3.36Å; T166-H275 PolarHBondContact OG1-CE1 2.81Å; A268-H275 HydrophobicContact CB-CB 4.34Å
276	G	96.7	Very high	96.1	Very high	13 Å²	13	51.4 Å²	51.4	13%	0.134	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	-162.9	177.5	0	0	0	0	0	113.3	V159 Y160 F161	V159-G276 PolarHBondContact O-N 2.98Å; V159-G276 VanDerWaalsContact O-N 3.09Å; Y160-G276 WeakPolarHBondContact CA-O 3.2Å; F161-G276 PolarHBondContact N-O 3.23Å
277	A	97.9	Very high	96	Very high	28 Å²	28	48.9 Å²	48.9	23%	0.231	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151	-175.5	0	0	0	0	0	112	F161 D164	F161-A277 CarbonylContact O-C 3.54Å; F161-A277 VanDerWaalsContact O-CA 3.27Å; F161-A277 WeakPolarHBondContact O-CA 3.42Å; D164-A277 HydrophobicContact CB-CB 4.43Å
278	V	98.4	Very high	95.9	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.036	26%	0.255	C	S	.	.	S	Bend	trans	-97.2	-6.7	167.7	-57.8	0	0	0	0	112.8	F161 M508 E511 I512 F528 L530	F161-V278 PolarHBondContact O-N 2.77Å; V278-M508 HydrophobicContact CG2-CB 4.41Å; V278-M508 HydrophobicContact CG2-CG 3.97Å; V278-M508 HydrophobicContact CG2-SD 3.84Å; V278-E511 HydrophobicContact CB-CB 4.28Å; V278-E511 WeakPolarHBondContact O-CB 3.45Å; V278-I512 HydrophobicContact CB-CG1 4.5Å; V278-I512 HydrophobicContact CG1-CG1 4.02Å; V278-F528 HydrophobicContact CG1-CD1 3.88Å; V278-F528 HydrophobicContact CG1-CE1 4.01Å; V278-L530 HydrophobicContact CG2-CD2 3.65Å
279	E	97.4	Very high	95.8	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.023	26%	0.263	C	S	.	.	S	Bend	trans	-129.2	167.4	178	-56.4	-175.9	117.8	0	0	112.3	E162 L163 D283 Q284 R504 M508	E162-E279 WeakPolarHBondContact O-CB 3.41Å; E162-E279 PolarHBondContact O-N 3.39Å; L163-E279 HydrophobicContact CD2-CB 4.18Å; L163-E279 WeakPolarHBondContact CD2-O 3.23Å; E279-D283 HydrophobicContact CB-CB 4.15Å; E279-Q284 PolarHBondContact OE2-NE2 3.3Å; E279-R504 WeakPolarHBondContact OE1-CD 3.26Å; E279-R504 WeakPolarHBondContact OE1-CG 3.17Å; E279-R504 IonicContact OE1-CZ 3.22Å; E279-R504 IonicContact OE1-NE 2.69Å; E279-R504 PolarHBondContact OE1-NE 3.36Å; E279-R504 IonicContact OE1-NH2 2.99Å; E279-R504 IonicContact OE2-CZ 3.8Å; E279-R504 IonicContact OE2-NE 2.85Å; E279-R504 PolarHBondContact OE2-NE 3.22Å; E279-R504 IonicContact OE2-NH2 3.38Å; E279-R504 PolarHBondContact OE2-NH2 3.48Å; E279-M508 HydrophobicContact CG-CG 3.54Å; E279-M508 HydrophobicContact CG-SD 3.95Å; E279-M508 WeakPolarHBondContact OE1-CG 2.81Å
280	Q	96.2	Very high	95.7	Very high	129 Å²	129	53 Å²	53	60%	0.603	27%	0.269	S	S	*	.			trans	-102.6	161.4	166.4	-57.5	-59.2	-48.4	0	0	110.4	N282 D283	Q280-N282 PolarHBondContact O-N 3.28Å; Q280-D283 WeakPolarHBondContact CB-OD2 3.34Å; Q280-D283 PolarHBondContact N-OD2 2.83Å; Q280-D283 WeakPolarHBondContact O-CB 3.34Å; Q280-D283 PolarHBondContact O-N 2.83Å
281	V	95.4	Very high	95.5	Very high	4 Å²	4	47 Å²	47	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-55.2	-39	177.4	169.3	0	0	0	0	112.3	L163 T170 E173 L174 D283 Q284 C285	L163-V281 HydrophobicContact CD1-CG2 4.47Å; T170-V281 HydrophobicContact CG2-CG2 3.84Å; E173-V281 HydrophobicContact CB-CB 4.13Å; E173-V281 HydrophobicContact CB-CG1 3.95Å; E173-V281 HydrophobicContact CB-CG2 3.91Å; L174-V281 HydrophobicContact CB-CG1 4.26Å; L174-V281 HydrophobicContact CD1-CG2 4.47Å; L174-V281 HydrophobicContact CD2-CG1 3.75Å; L174-V281 HydrophobicContact CD2-CG2 4.48Å; L174-V281 HydrophobicContact CG-CB 4.3Å; L174-V281 HydrophobicContact CG-CG1 3.66Å; L174-V281 HydrophobicContact CG-CG2 3.84Å; V281-D283 PolarHBondContact O-N 3.38Å; V281-Q284 WeakPolarHBondContact O-CB 3.32Å; V281-Q284 PolarHBondContact O-N 3.47Å; V281-Q284 VanDerWaalsContact O-N 3.14Å; V281-C285 WeakPolarHBondContact O-CB 3.41Å; V281-C285 PolarHBondContact O-N 3.34Å; V281-C285 VanDerWaalsContact O-N 3.12Å; V281-C285 PolarHBondContact O-SG 3.11Å
282	N	95.6	Very high	95.4	Very high	107 Å²	107	48.3 Å²	48.3	57%	0.572	25%	0.254	S	S	*	.	H	α-helix	trans	-64.1	-26.9	179.1	-70	-14.7	0	0	0	113.2	Q280 Q284 C285 E286	Q280-N282 PolarHBondContact O-N 3.28Å; N282-Q284 PolarHBondContact O-N 3.18Å; N282-C285 PolarHBondContact O-N 3.12Å; N282-E286 HydrophobicContact CB-CG 4.28Å; N282-E286 VanDerWaalsContact O-CB 3.29Å; N282-E286 WeakPolarHBondContact O-CB 2.84Å; N282-E286 PolarHBondContact O-N 3.39Å
283	D	95.4	Very high	95.2	Very high	41 Å²	41	47.5 Å²	47.5	22%	0.219	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-25.7	177.4	-65.7	-58.7	0	0	0	112.5	E279 Q280 V281 R507	E279-D283 HydrophobicContact CB-CB 4.15Å; Q280-D283 WeakPolarHBondContact CB-OD2 3.34Å; Q280-D283 PolarHBondContact N-OD2 2.83Å; Q280-D283 WeakPolarHBondContact O-CB 3.34Å; Q280-D283 PolarHBondContact O-N 2.83Å; V281-D283 PolarHBondContact O-N 3.38Å; D283-R507 IonicContact OD1-NE 3.78Å; D283-R507 PolarHBondContact OD1-NE 3.36Å
284	Q	90.4	Very high	95	Very high	25 Å²	25	52.6 Å²	52.6	12%	0.117	26%	0.26	C	S	.	.	H	α-helix	trans	-85.7	-43.4	174.2	-59.1	-75.3	9.8	0	0	111.7	L163 E279 V281 N282	L163-Q284 HydrophobicContact CD1-CG 3.6Å; L163-Q284 HydrophobicContact CG-CG 4.25Å; E279-Q284 PolarHBondContact OE2-NE2 3.3Å; V281-Q284 WeakPolarHBondContact O-CB 3.32Å; V281-Q284 PolarHBondContact O-N 3.47Å; V281-Q284 VanDerWaalsContact O-N 3.14Å; N282-Q284 PolarHBondContact O-N 3.18Å
285	C	94.9	Very high	94.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-80.7	-47.1	-166.4	-82.1	0	0	0	0	114.2	C177 V281 N282 L288 N289	C177-C285 HydrophobicContact CB-CB 3.79Å; C177-C285 WeakPolarHBondContact CB-SG 3.36Å; C177-C285 WeakPolarHBondContact SG-CB 3.4Å; C177-C285 CovalentContact SG-SG 2Å; C177-C285 PolarHBondContact SG-SG 3.3Å; V281-C285 WeakPolarHBondContact O-CB 3.41Å; V281-C285 PolarHBondContact O-N 3.34Å; V281-C285 VanDerWaalsContact O-N 3.12Å; V281-C285 PolarHBondContact O-SG 3.11Å; N282-C285 PolarHBondContact O-N 3.12Å; C285-L288 PolarHBondContact O-N 3.31Å; C285-N289 WeakPolarHBondContact O-CB 3.42Å; C285-N289 VanDerWaalsContact O-CG 3.28Å; C285-N289 PolarHBondContact O-N 3.49Å; C285-N289 PolarHBondContact O-ND2 3.43Å
286	E	95.3	Very high	94.5	Very high	69 Å²	69	46.5 Å²	46.5	32%	0.322	23%	0.232	S	C	.	.	H	α-helix	trans	-61.8	-43.6	-173	-79.1	-67.9	122	0	0	112.9	N282 L288 N289 R290	N282-E286 HydrophobicContact CB-CG 4.28Å; N282-E286 VanDerWaalsContact O-CB 3.29Å; N282-E286 WeakPolarHBondContact O-CB 2.84Å; N282-E286 PolarHBondContact O-N 3.39Å; E286-L288 VanDerWaalsContact C-N 3.3Å; E286-L288 PolarHBondContact O-N 3.33Å; E286-N289 PolarHBondContact O-N 2.88Å; E286-R290 WeakPolarHBondContact O-CB 3.43Å; E286-R290 WeakPolarHBondContact O-CD 3.35Å; E286-R290 WeakPolarHBondContact O-CG 3.32Å; E286-R290 PolarHBondContact O-N 2.83Å; E286-R290 IonicContact OE2-CZ 2.83Å; E286-R290 VanDerWaalsContact OE2-CZ 3.32Å; E286-R290 IonicContact OE2-NE 3.9Å; E286-R290 PolarHBondContact OE2-NE 3.29Å; E286-R290 IonicContact OE2-NH2 3.43Å; E286-R290 PolarHBondContact OE2-NH2 2.66Å
287	P	94.2	Very high	94.4	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.039	23%	0.23	C	C	.	.	H	α-helix	trans	-51.2	-46.7	172.7	-34.6	41.4	0	0	0	113.9	Y495 E499 L500	P287-Y495 VanDerWaalsContact O-CE1 3.26Å; P287-Y495 WeakPolarHBondContact O-CE1 3.33Å; P287-Y495 PolarHBondContact O-OH 3Å; P287-E499 HydrophobicContact CB-CB 3.88Å; P287-E499 HydrophobicContact CB-CG 4.47Å; P287-E499 HydrophobicContact CG-CB 4.39Å; P287-L500 HydrophobicContact CB-CD2 3.73Å; P287-L500 HydrophobicContact CG-CD2 4.35Å
288	L	93.6	Very high	94.1	Very high	22 Å²	22	46.3 Å²	46.3	12%	0.115	22%	0.223	C	C	.	.	H	α-helix	trans	-70.6	-43.6	-179.2	-64.9	175.1	0	0	0	111.5	I238 W239 L242 C285 E286 R290 I291 L496 L500	I238-L288 HydrophobicContact CG1-CB 4.15Å; I238-L288 HydrophobicContact CG1-CD2 4.13Å; I238-L288 HydrophobicContact CG2-CB 4.22Å; W239-L288 HydrophobicContact CH2-CD1 3.55Å; W239-L288 HydrophobicContact CZ2-CB 4.37Å; W239-L288 HydrophobicContact CZ2-CD1 3.81Å; W239-L288 HydrophobicContact CZ3-CD1 4.07Å; L242-L288 HydrophobicContact CD1-CD1 4.12Å; C285-L288 PolarHBondContact O-N 3.31Å; E286-L288 VanDerWaalsContact C-N 3.3Å; E286-L288 PolarHBondContact O-N 3.33Å; L288-R290 PolarHBondContact O-N 2.68Å; L288-I291 HydrophobicContact CD2-CD1 4.1Å; L288-I291 WeakPolarHBondContact O-CD1 3.28Å; L288-I291 VanDerWaalsContact O-CG1 3.3Å; L288-I291 WeakPolarHBondContact O-CG1 3.2Å; L288-I291 PolarHBondContact O-N 2.67Å; L288-L496 HydrophobicContact CD2-CD2 4.07Å; L288-L500 HydrophobicContact CD2-CD1 4.16Å
289	N	94.3	Very high	93.7	Very high	28 Å²	28	46.4 Å²	46.4	15%	0.15	23%	0.225	C	C	.	.	H	α-helix	trans	-68	-17.7	-177.7	-74.4	-17.5	0	0	0	113.5	C177 R236 W239 C285 E286	C177-N289 PolarHBondContact O-ND2 3.19Å; C177-N289 VanDerWaalsContact O-ND2 3.15Å; R236-N289 WeakPolarHBondContact CD-OD1 3.38Å; W239-N289 PolarHBondContact NE1-OD1 3.18Å; C285-N289 WeakPolarHBondContact O-CB 3.42Å; C285-N289 VanDerWaalsContact O-CG 3.28Å; C285-N289 PolarHBondContact O-N 3.49Å; C285-N289 PolarHBondContact O-ND2 3.43Å; E286-N289 PolarHBondContact O-N 2.88Å
290	R	94.4	Very high	93.4	Very high	172 Å²	172	46.1 Å²	46.1	65%	0.649	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-5.9	177.9	-71.9	172.5	-170.9	-155.1	3.2	114.4	E286 L288 N292 Y495	E286-R290 WeakPolarHBondContact O-CB 3.43Å; E286-R290 WeakPolarHBondContact O-CD 3.35Å; E286-R290 WeakPolarHBondContact O-CG 3.32Å; E286-R290 PolarHBondContact O-N 2.83Å; E286-R290 IonicContact OE2-CZ 2.83Å; E286-R290 VanDerWaalsContact OE2-CZ 3.32Å; E286-R290 IonicContact OE2-NE 3.9Å; E286-R290 PolarHBondContact OE2-NE 3.29Å; E286-R290 IonicContact OE2-NH2 3.43Å; E286-R290 PolarHBondContact OE2-NH2 2.66Å; L288-R290 PolarHBondContact O-N 2.68Å; R290-N292 PolarHBondContact O-N 3.43Å; R290-Y495 WeakPolarHBondContact CB-OH 3.47Å
291	I	92.1	Very high	93.2	Very high	14 Å²	14	42.4 Å²	42.4	7%	0.072	21%	0.206	C	C	.	.	S	Bend	trans	-59.8	139.4	177.5	-59.1	168.7	0	0	0	109.5	I238 L288 V293 Q295 V296 L492 Y495 L496	I238-I291 HydrophobicContact CD1-CD1 3.63Å; I238-I291 HydrophobicContact CG1-CD1 3.84Å; L288-I291 HydrophobicContact CD2-CD1 4.1Å; L288-I291 WeakPolarHBondContact O-CD1 3.28Å; L288-I291 VanDerWaalsContact O-CG1 3.3Å; L288-I291 WeakPolarHBondContact O-CG1 3.2Å; L288-I291 PolarHBondContact O-N 2.67Å; I291-V293 PolarHBondContact O-N 2.74Å; I291-Q295 HydrophobicContact CG2-CB 4.37Å; I291-V296 HydrophobicContact CB-CG2 3.82Å; I291-V296 HydrophobicContact CG2-CG2 3.37Å; I291-L492 HydrophobicContact CD1-CD1 4.23Å; I291-L492 HydrophobicContact CG1-CD1 4.48Å; I291-L492 HydrophobicContact CG2-CD1 3.39Å; I291-Y495 HydrophobicContact CB-CE1 4.47Å; I291-Y495 HydrophobicContact CD1-CE1 4.36Å; I291-Y495 HydrophobicContact CG1-CD1 3.86Å; I291-Y495 HydrophobicContact CG1-CE1 3.42Å; I291-Y495 VanDerWaalsContact CG1-CE1 3.42Å; I291-L496 HydrophobicContact CD1-CD2 3.71Å
292	N	93.4	Very high	92.8	Very high	80 Å²	80	43.5 Å²	43.5	43%	0.428	21%	0.212	S	C	.	.			trans	-58.1	126.5	178.5	-173.7	-50.2	0	0	0	110.8	R290 H294 Q295 V296	R290-N292 PolarHBondContact O-N 3.43Å; N292-H294 PolarHBondContact O-N 2.93Å; N292-H294 VanDerWaalsContact O-N 3.14Å; N292-H294 VanDerWaalsContact OD1-CB 3.29Å; N292-H294 WeakPolarHBondContact OD1-CB 3.39Å; N292-H294 PolarHBondContact OD1-CD2 3.17Å; N292-H294 PolarHBondContact OD1-N 3.23Å; N292-Q295 HydrophobicContact CB-CB 4.3Å; N292-Q295 HydrophobicContact CB-CG 4.02Å; N292-Q295 WeakPolarHBondContact O-CB 3.44Å; N292-Q295 PolarHBondContact O-N 3.31Å; N292-V296 PolarHBondContact O-N 3.16Å; N292-V296 VanDerWaalsContact O-N 3.1Å
293	V	92	Very high	92.3	Very high	51 Å²	51	39.4 Å²	39.4	31%	0.309	19%	0.191	S	C	.	.	H	α-helix	trans	-56.1	-33.7	-178.8	68.5	0	0	0	0	112.9	L189 I291 V296 T297	L189-V293 HydrophobicContact CB-CG2 4.26Å; I291-V293 PolarHBondContact O-N 2.74Å; V293-V296 PolarHBondContact O-N 3.27Å; V293-T297 VanDerWaalsContact O-CB 3.24Å; V293-T297 WeakPolarHBondContact O-CB 3.48Å; V293-T297 PolarHBondContact O-N 3.1Å; V293-T297 PolarHBondContact O-OG1 3.05Å
294	H	92.7	Very high	92.1	Very high	142 Å²	142	37.5 Å²	37.5	66%	0.657	18%	0.18	S	C	*	.	H	α-helix	trans	-67.8	-40.5	176.8	-64	-63.8	0	0	0	112.2	N292 T297 F298	N292-H294 PolarHBondContact O-N 2.93Å; N292-H294 VanDerWaalsContact O-N 3.14Å; N292-H294 VanDerWaalsContact OD1-CB 3.29Å; N292-H294 WeakPolarHBondContact OD1-CB 3.39Å; N292-H294 PolarHBondContact OD1-CD2 3.17Å; N292-H294 PolarHBondContact OD1-N 3.23Å; H294-T297 PolarHBondContact O-N 2.6Å; H294-F298 WeakPolarHBondContact O-CB 3.33Å; H294-F298 PolarHBondContact O-N 3.07Å
295	Q	92	Very high	92	Very high	31 Å²	31	39.3 Å²	39.3	15%	0.145	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-47	175.5	-70.6	171.3	-30.2	0	0	110.6	I291 N292 F298 A299 T488 L492	I291-Q295 HydrophobicContact CG2-CB 4.37Å; N292-Q295 HydrophobicContact CB-CB 4.3Å; N292-Q295 HydrophobicContact CB-CG 4.02Å; N292-Q295 WeakPolarHBondContact O-CB 3.44Å; N292-Q295 PolarHBondContact O-N 3.31Å; Q295-F298 PolarHBondContact O-N 3.36Å; Q295-A299 WeakPolarHBondContact O-CB 3.3Å; Q295-A299 PolarHBondContact O-N 3.33Å; Q295-T488 HydrophobicContact CB-CG2 4.17Å; Q295-T488 HydrophobicContact CG-CG2 3.71Å; Q295-L492 HydrophobicContact CB-CB 4.42Å; Q295-L492 HydrophobicContact CB-CD1 4.42Å
296	V	92.5	Very high	91.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.024	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-41.4	179.3	-175.2	0	0	0	0	111.8	P237 I238 I291 N292 V293 F298 A299 L300	P237-V296 VanDerWaalsContact C-CG1 3.44Å; P237-V296 HydrophobicContact CB-CB 4.32Å; P237-V296 HydrophobicContact CB-CG1 3.62Å; I238-V296 HydrophobicContact CB-CG1 4.18Å; I238-V296 HydrophobicContact CB-CG2 4.34Å; I238-V296 HydrophobicContact CD1-CG1 4.38Å; I238-V296 HydrophobicContact CD1-CG2 4.31Å; I291-V296 HydrophobicContact CB-CG2 3.82Å; I291-V296 HydrophobicContact CG2-CG2 3.37Å; N292-V296 PolarHBondContact O-N 3.16Å; N292-V296 VanDerWaalsContact O-N 3.1Å; V293-V296 PolarHBondContact O-N 3.27Å; V296-F298 VanDerWaalsContact C-N 3.29Å; V296-F298 PolarHBondContact O-N 3.21Å; V296-A299 PolarHBondContact O-N 3.37Å; V296-L300 HydrophobicContact CG1-CD1 4.27Å; V296-L300 HydrophobicContact CG1-CG 4.47Å; V296-L300 WeakPolarHBondContact O-CB 3.13Å; V296-L300 WeakPolarHBondContact O-CG 3.22Å; V296-L300 PolarHBondContact O-N 3.03Å
297	T	94.5	Very high	91	Very high	14 Å²	14	42.1 Å²	42.1	9%	0.086	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-43.1	177.2	-60.2	0	0	0	0	110.7	L190 L194 V293 H294 L300 E301	L190-T297 HydrophobicContact CD2-CG2 4.05Å; L190-T297 VanDerWaalsContact CD2-OG1 3.31Å; L190-T297 WeakPolarHBondContact CD2-OG1 3.45Å; L194-T297 HydrophobicContact CD2-CG2 3.83Å; V293-T297 VanDerWaalsContact O-CB 3.24Å; V293-T297 WeakPolarHBondContact O-CB 3.48Å; V293-T297 PolarHBondContact O-N 3.1Å; V293-T297 PolarHBondContact O-OG1 3.05Å; H294-T297 PolarHBondContact O-N 2.6Å; T297-L300 WeakPolarHBondContact O-CB 3.43Å; T297-L300 PolarHBondContact O-N 3.42Å; T297-E301 WeakPolarHBondContact O-CG 3.25Å; T297-E301 PolarHBondContact O-N 3.47Å
298	F	91.4	Very high	90.7	Very high	22 Å²	22	43.7 Å²	43.7	10%	0.096	22%	0.215	C	C	.	.	H	α-helix	trans	-65.1	-44.1	176.5	-178.8	-119.7	0	0	0	112.4	H294 Q295 V296 L300 E301 I302 L481 Q485 T488 L489	H294-F298 WeakPolarHBondContact O-CB 3.33Å; H294-F298 PolarHBondContact O-N 3.07Å; Q295-F298 PolarHBondContact O-N 3.36Å; V296-F298 VanDerWaalsContact C-N 3.29Å; V296-F298 PolarHBondContact O-N 3.21Å; F298-L300 VanDerWaalsContact C-N 3.31Å; F298-L300 PolarHBondContact O-N 3.29Å; F298-E301 PolarHBondContact O-N 3.03Å; F298-I302 HydrophobicContact CD1-CD1 4.11Å; F298-I302 HydrophobicContact CD2-CD1 4.48Å; F298-I302 HydrophobicContact CE1-CD1 3.43Å; F298-I302 VanDerWaalsContact CE1-CD1 3.43Å; F298-I302 HydrophobicContact CE1-CG1 4.48Å; F298-I302 HydrophobicContact CE2-CD1 3.83Å; F298-I302 HydrophobicContact CE2-CG1 4.08Å; F298-I302 HydrophobicContact CZ-CD1 3.25Å; F298-I302 HydrophobicContact CZ-CG1 4.01Å; F298-I302 PolarHBondContact O-N 3.35Å; F298-I302 VanDerWaalsContact O-N 3.09Å; F298-L481 HydrophobicContact CE1-CD1 4.36Å; F298-L481 HydrophobicContact CZ-CD1 4.03Å; F298-L481 HydrophobicContact CZ-CD2 3.92Å; F298-Q485 HydrophobicContact CD2-CG 4.39Å; F298-Q485 HydrophobicContact CE1-CB 3.79Å; F298-Q485 HydrophobicContact CE1-CG 4.09Å; F298-Q485 WeakPolarHBondContact CE1-O 3.47Å; F298-Q485 HydrophobicContact CE2-CB 4.12Å; F298-Q485 HydrophobicContact CE2-CG 3.59Å; F298-Q485 VanDerWaalsContact CE2-NE2 3.28Å; F298-Q485 HydrophobicContact CZ-CB 3.38Å; F298-Q485 HydrophobicContact CZ-CG 3.4Å; F298-Q485 VanDerWaalsContact CZ-CG 3.4Å; F298-T488 HydrophobicContact CB-CG2 4.44Å; F298-T488 HydrophobicContact CD1-CG2 3.95Å; F298-L489 HydrophobicContact CD1-CD2 4.08Å; F298-L489 HydrophobicContact CD1-CG 4.24Å; F298-L489 HydrophobicContact CE1-CD1 4.13Å; F298-L489 HydrophobicContact CE1-CD2 4.06Å; F298-L489 HydrophobicContact CE1-CG 3.81Å
299	A	89.8	Confident	90.2	Very high	8 Å²	8	48.1 Å²	48.1	7%	0.066	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-38.1	175.5	0	0	0	0	0	112.5	L241 Q295 V296 T303 L492	L241-A299 HydrophobicContact CD1-CB 4.45Å; L241-A299 HydrophobicContact CD2-CB 3.74Å; Q295-A299 WeakPolarHBondContact O-CB 3.3Å; Q295-A299 PolarHBondContact O-N 3.33Å; V296-A299 PolarHBondContact O-N 3.37Å; A299-T303 VanDerWaalsContact O-CB 3.26Å; A299-T303 WeakPolarHBondContact O-CB 3.47Å; A299-T303 PolarHBondContact O-N 3.27Å; A299-T303 PolarHBondContact O-OG1 2.91Å; A299-L492 HydrophobicContact CB-CD2 4.09Å
300	L	91.8	Very high	89.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-45.2	172.4	-83.2	170.5	0	0	0	112	L190 L194 P237 L240 L241 L244 V296 T297 F298 T303 L304	L190-L300 HydrophobicContact CD1-CD1 4.24Å; L190-L300 HydrophobicContact CD2-CD1 4.34Å; L194-L300 HydrophobicContact CD2-CB 4.49Å; P237-L300 HydrophobicContact CB-CD1 3.98Å; L240-L300 HydrophobicContact CB-CD2 4.38Å; L240-L300 HydrophobicContact CG-CD2 4.35Å; L241-L300 HydrophobicContact CB-CD2 3.73Å; L241-L300 HydrophobicContact CB-CG 4.07Å; L241-L300 HydrophobicContact CD1-CD2 4.14Å; L241-L300 HydrophobicContact CD1-CG 4.43Å; L244-L300 HydrophobicContact CD1-CD2 3.9Å; V296-L300 HydrophobicContact CG1-CD1 4.27Å; V296-L300 HydrophobicContact CG1-CG 4.47Å; V296-L300 WeakPolarHBondContact O-CB 3.13Å; V296-L300 WeakPolarHBondContact O-CG 3.22Å; V296-L300 PolarHBondContact O-N 3.03Å; T297-L300 WeakPolarHBondContact O-CB 3.43Å; T297-L300 PolarHBondContact O-N 3.42Å; F298-L300 VanDerWaalsContact C-N 3.31Å; F298-L300 PolarHBondContact O-N 3.29Å; L300-T303 PolarHBondContact O-N 3.16Å; L300-L304 VanDerWaalsContact O-CB 3.24Å; L300-L304 WeakPolarHBondContact O-CB 3.32Å; L300-L304 PolarHBondContact O-N 2.91Å
301	E	91.4	Very high	87.8	Confident	51 Å²	51	45.3 Å²	45.3	24%	0.238	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-46.9	178.1	-75.4	176.6	-176	0	0	111.5	L194 T297 F298 N305	L194-E301 HydrophobicContact CD1-CG 3.92Å; L194-E301 HydrophobicContact CD2-CG 3.89Å; L194-E301 HydrophobicContact CG-CG 4.43Å; T297-E301 WeakPolarHBondContact O-CG 3.25Å; T297-E301 PolarHBondContact O-N 3.47Å; F298-E301 PolarHBondContact O-N 3.03Å; E301-N305 WeakPolarHBondContact O-CB 3.37Å; E301-N305 PolarHBondContact O-N 3.1Å; E301-N305 PolarHBondContact O-ND2 3.07Å; E301-N305 PolarHBondContact O-OD1 3.15Å
302	I	86.7	Confident	85.9	Confident	27 Å²	27	50.3 Å²	50.3	14%	0.138	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-48.4	176.9	-68.4	172.2	0	0	0	111	F298 L304 N305 N306 L481 L489	F298-I302 HydrophobicContact CD1-CD1 4.11Å; F298-I302 HydrophobicContact CD2-CD1 4.48Å; F298-I302 HydrophobicContact CE1-CD1 3.43Å; F298-I302 VanDerWaalsContact CE1-CD1 3.43Å; F298-I302 HydrophobicContact CE1-CG1 4.48Å; F298-I302 HydrophobicContact CE2-CD1 3.83Å; F298-I302 HydrophobicContact CE2-CG1 4.08Å; F298-I302 HydrophobicContact CZ-CD1 3.25Å; F298-I302 HydrophobicContact CZ-CG1 4.01Å; F298-I302 PolarHBondContact O-N 3.35Å; F298-I302 VanDerWaalsContact O-N 3.09Å; I302-L304 VanDerWaalsContact C-N 3.31Å; I302-L304 PolarHBondContact O-N 3.23Å; I302-N305 WeakPolarHBondContact O-CB 3.38Å; I302-N305 PolarHBondContact O-N 3.35Å; I302-N306 PolarHBondContact O-N 3.29Å; I302-L481 HydrophobicContact CD1-CD1 3.89Å; I302-L481 HydrophobicContact CD1-CD2 4.24Å; I302-L489 HydrophobicContact CD1-CD1 3.95Å; I302-L489 HydrophobicContact CD1-CD2 4.32Å
303	T	85.9	Confident	83.3	Confident	21 Å²	21	50.6 Å²	50.6	13%	0.129	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-46.9	-179	-62.3	0	0	0	0	110.5	L241 L244 N245 A299 L300 N305 N306 L307	L241-T303 HydrophobicContact CD1-CG2 4.04Å; L241-T303 WeakPolarHBondContact CD1-OG1 3.34Å; L244-T303 HydrophobicContact CB-CG2 4.46Å; N245-T303 WeakPolarHBondContact ND2-CG2 3.41Å; A299-T303 VanDerWaalsContact O-CB 3.26Å; A299-T303 WeakPolarHBondContact O-CB 3.47Å; A299-T303 PolarHBondContact O-N 3.27Å; A299-T303 PolarHBondContact O-OG1 2.91Å; L300-T303 PolarHBondContact O-N 3.16Å; T303-N305 PolarHBondContact O-N 3.44Å; T303-N306 PolarHBondContact O-N 3.39Å; T303-L307 HydrophobicContact CG2-CD1 3.88Å; T303-L307 HydrophobicContact CG2-CG 4.39Å; T303-L307 VanDerWaalsContact O-CG 3.31Å; T303-L307 WeakPolarHBondContact O-CG 3.47Å; T303-L307 PolarHBondContact O-N 3.15Å
304	L	90.9	Very high	80.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-39.2	179.7	-171.3	60.5	0	0	0	112	L194 R197 L198 Y201 L300 I302 N306 L307 E308	L194-L304 HydrophobicContact CD1-CD2 3.93Å; R197-L304 HydrophobicContact CB-CD2 3.56Å; L198-L304 HydrophobicContact CD2-CD1 4.45Å; L198-L304 HydrophobicContact CD2-CD2 3.93Å; L198-L304 HydrophobicContact CG-CD2 3.97Å; Y201-L304 HydrophobicContact CD1-CD1 4.15Å; Y201-L304 HydrophobicContact CD2-CD1 3.98Å; Y201-L304 HydrophobicContact CG-CD1 3.68Å; L300-L304 VanDerWaalsContact O-CB 3.24Å; L300-L304 WeakPolarHBondContact O-CB 3.32Å; L300-L304 PolarHBondContact O-N 2.91Å; I302-L304 VanDerWaalsContact C-N 3.31Å; I302-L304 PolarHBondContact O-N 3.23Å; L304-N306 VanDerWaalsContact C-N 3.32Å; L304-N306 PolarHBondContact O-N 3.25Å; L304-L307 PolarHBondContact O-N 3.08Å; L304-E308 HydrophobicContact CD1-CG 4.25Å; L304-E308 HydrophobicContact CG-CG 4.32Å; L304-E308 WeakPolarHBondContact O-CB 3.3Å; L304-E308 VanDerWaalsContact O-CG 3.28Å; L304-E308 WeakPolarHBondContact O-CG 3.08Å; L304-E308 PolarHBondContact O-N 3.42Å
305	N	88.1	Confident	77.4	Confident	64 Å²	64	55.7 Å²	55.7	34%	0.342	30%	0.296	S	S	.	.	H	α-helix	trans	-56.3	-47.3	172.5	-67.5	-19.6	0	0	0	111.1	R197 E301 I302 T303 E308 N309	R197-N305 VanDerWaalsContact CZ-OD1 3.31Å; R197-N305 PolarHBondContact NH1-OD1 2.88Å; R197-N305 VanDerWaalsContact NH1-OD1 3.16Å; R197-N305 PolarHBondContact NH2-OD1 2.94Å; E301-N305 WeakPolarHBondContact O-CB 3.37Å; E301-N305 PolarHBondContact O-N 3.1Å; E301-N305 PolarHBondContact O-ND2 3.07Å; E301-N305 PolarHBondContact O-OD1 3.15Å; I302-N305 WeakPolarHBondContact O-CB 3.38Å; I302-N305 PolarHBondContact O-N 3.35Å; T303-N305 PolarHBondContact O-N 3.44Å; N305-E308 PolarHBondContact O-N 3.12Å; N305-N309 WeakPolarHBondContact O-CB 3.42Å; N305-N309 PolarHBondContact O-N 3.35Å; N305-N309 PolarHBondContact O-ND2 3.44Å; N305-N309 VanDerWaalsContact O-ND2 3.13Å
306	N	83.9	Confident	74.6	Confident	92 Å²	92	60.2 Å²	60.2	49%	0.492	32%	0.316	S	S	.	.	H	α-helix	trans	-64.5	-43.7	-178.6	-68.6	-12.2	0	0	0	111.5	I302 T303 L304 N309 A310	I302-N306 PolarHBondContact O-N 3.29Å; T303-N306 PolarHBondContact O-N 3.39Å; L304-N306 VanDerWaalsContact C-N 3.32Å; L304-N306 PolarHBondContact O-N 3.25Å; N306-N309 PolarHBondContact O-N 2.86Å; N306-A310 WeakPolarHBondContact O-CB 3.49Å; N306-A310 PolarHBondContact O-N 3.14Å
307	L	86	Confident	71.5	Confident	35 Å²	35	64.8 Å²	64.8	18%	0.183	34%	0.34	C	S	.	.	H	α-helix	trans	-66.8	-40.9	178.7	-69.7	174	0	0	0	112.8	Y201 L244 T303 L304 N309 A310 N311	Y201-L307 HydrophobicContact CE1-CD1 4.19Å; Y201-L307 HydrophobicContact CE2-CB 3.66Å; L244-L307 HydrophobicContact CB-CD1 3.94Å; T303-L307 HydrophobicContact CG2-CD1 3.88Å; T303-L307 HydrophobicContact CG2-CG 4.39Å; T303-L307 VanDerWaalsContact O-CG 3.31Å; T303-L307 WeakPolarHBondContact O-CG 3.47Å; T303-L307 PolarHBondContact O-N 3.15Å; L304-L307 PolarHBondContact O-N 3.08Å; L307-N309 VanDerWaalsContact C-N 3.35Å; L307-A310 PolarHBondContact O-N 2.98Å; L307-N311 PolarHBondContact O-N 3.12Å; L307-N311 PolarHBondContact O-ND2 2.67Å
308	E	87.6	Confident	68.3	Low	40 Å²	40	67.3 Å²	67.3	19%	0.187	36%	0.356	C	S	.	.	H	α-helix	trans	-63.7	-41.5	175.1	-74.2	174.4	162.3	0	0	111.1	R197 Y201 L304 N305 N311 H312	R197-E308 IonicContact CZ-OE2 3.87Å; R197-E308 IonicContact NE-OE1 2.66Å; R197-E308 IonicContact NE-OE2 3.54Å; R197-E308 PolarHBondContact NE-OE2 3.36Å; R197-E308 IonicContact NH2-OE1 3.29Å; R197-E308 IonicContact NH2-OE2 2.68Å; R197-E308 PolarHBondContact NH2-OE2 3.3Å; Y201-E308 HydrophobicContact CD2-CG 4.11Å; L304-E308 HydrophobicContact CD1-CG 4.25Å; L304-E308 HydrophobicContact CG-CG 4.32Å; L304-E308 WeakPolarHBondContact O-CB 3.3Å; L304-E308 VanDerWaalsContact O-CG 3.28Å; L304-E308 WeakPolarHBondContact O-CG 3.08Å; L304-E308 PolarHBondContact O-N 3.42Å; N305-E308 PolarHBondContact O-N 3.12Å; E308-N311 PolarHBondContact O-N 3.29Å; E308-H312 PolarHBondContact O-CD2 2.85Å
309	N	82	Confident	65.4	Low	115 Å²	115	70.8 Å²	70.8	62%	0.615	38%	0.375	S	S	*	.	H	α-helix	trans	-68.3	-39.3	178.1	-69.6	-23.9	0	0	0	112.6	N305 N306 L307 N311 H312	N305-N309 WeakPolarHBondContact O-CB 3.42Å; N305-N309 PolarHBondContact O-N 3.35Å; N305-N309 PolarHBondContact O-ND2 3.44Å; N305-N309 VanDerWaalsContact O-ND2 3.13Å; N306-N309 PolarHBondContact O-N 2.86Å; L307-N309 VanDerWaalsContact C-N 3.35Å; N309-N311 VanDerWaalsContact C-N 3.31Å; N309-N311 PolarHBondContact O-N 3.3Å; N309-H312 PolarHBondContact O-N 3.12Å
310	A	74.3	Confident	62.4	Low	72 Å²	72	78.3 Å²	78.3	60%	0.595	40%	0.403	S	S	*	.	H	α-helix	trans	-64.8	-33.3	177.9	0	0	0	0	0	112.8	N306 L307 H312 P313	N306-A310 WeakPolarHBondContact O-CB 3.49Å; N306-A310 PolarHBondContact O-N 3.14Å; L307-A310 PolarHBondContact O-N 2.98Å; A310-H312 PolarHBondContact O-N 3.03Å; A310-P313 WeakPolarHBondContact O-CD 3.44Å
311	N	65.7	Low	59.4	Low	68 Å²	68	85 Å²	85	36%	0.364	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	3	177.4	-75.1	-28.3	0	0	0	114.1	Y201 L307 E308 N309 P313	Y201-N311 WeakPolarHBondContact CE2-ND2 3.39Å; L307-N311 PolarHBondContact O-N 3.12Å; L307-N311 PolarHBondContact O-ND2 2.67Å; E308-N311 PolarHBondContact O-N 3.29Å; N309-N311 VanDerWaalsContact C-N 3.31Å; N309-N311 PolarHBondContact O-N 3.3Å; N311-P313 WeakPolarHBondContact O-CD 3.44Å
312	H	50.6	Low	56.4	Low	119 Å²	119	86.7 Å²	86.7	55%	0.551	44%	0.443	S	S	*	.			trans	-106.5	45	175.7	-74.6	-50.8	0	0	0	115.3	E308 N309 A310 M314	E308-H312 PolarHBondContact O-CD2 2.85Å; N309-H312 PolarHBondContact O-N 3.12Å; A310-H312 PolarHBondContact O-N 3.03Å; H312-M314 PolarHBondContact O-N 3.06Å
313	P	40.1	Very low	53.7	Low	87 Å²	87	90.6 Å²	90.6	57%	0.565	46%	0.464	S	S	*	.	H	α-helix	trans	-67.2	-24.6	175.7	27.7	-30.3	0	0	0	112.2	A310 N311 K315 H316	A310-P313 WeakPolarHBondContact O-CD 3.44Å; N311-P313 WeakPolarHBondContact O-CD 3.44Å; P313-K315 PolarHBondContact O-N 3.3Å; P313-H316 PolarHBondContact O-N 2.87Å
314	M	28.5	Very low	51	Low	146 Å²	146	94.1 Å²	94.1	72%	0.719	49%	0.486	S	S	*	.	H	α-helix	trans	-83.2	-6.8	-172.2	-142	160.6	95.7	0	0	115.5	H312 T318	H312-M314 PolarHBondContact O-N 3.06Å; M314-T318 PolarHBondContact O-N 3.02Å; M314-T318 PolarHBondContact O-OG1 2.93Å
315	K	31.7	Very low	48	Very low	154 Å²	154	100.6 Å²	100.6	67%	0.67	52%	0.52	S	S	*	.	H	α-helix	trans	-78.2	-26.4	166.3	-100.9	-176.9	177.4	177.8	0	112.1	P313 N319	P313-K315 PolarHBondContact O-N 3.3Å; K315-N319 WeakPolarHBondContact O-CB 3.27Å; K315-N319 PolarHBondContact O-N 3.1Å
316	H	32.5	Very low	45.1	Very low	126 Å²	126	104.6 Å²	104.6	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-76.4	-37.4	178.4	-122.9	-82	0	0	0	112.3	P313 Y320	P313-H316 PolarHBondContact O-N 2.87Å; H316-Y320 WeakPolarHBondContact O-CB 3.17Å; H316-Y320 PolarHBondContact O-N 3.25Å; H316-Y320 VanDerWaalsContact O-N 3.15Å
317	L	28.5	Very low	42.3	Very low	99 Å²	99	108 Å²	108	52%	0.518	55%	0.553	S	S	.	*	H	α-helix	trans	-73.3	-42.2	175.3	-86.4	149.6	0	0	0	112.6	N319 Y320 F321	L317-N319 VanDerWaalsContact C-N 3.35Å; L317-N319 PolarHBondContact O-N 3.34Å; L317-Y320 PolarHBondContact O-N 3.48Å; L317-Y320 VanDerWaalsContact O-N 3.15Å; L317-F321 HydrophobicContact CD2-CD2 4.46Å; L317-F321 HydrophobicContact CD2-CE2 3.8Å; L317-F321 VanDerWaalsContact O-CD2 3.23Å; L317-F321 WeakPolarHBondContact O-CD2 3.49Å; L317-F321 PolarHBondContact O-N 2.98Å
318	T	27.8	Very low	39.3	Very low	68 Å²	68	108.4 Å²	108.4	42%	0.417	57%	0.565	S	S	.	*	H	α-helix	trans	-66.6	-37	-179	-45.2	0	0	0	0	111.8	M314 N322	M314-T318 PolarHBondContact O-N 3.02Å; M314-T318 PolarHBondContact O-OG1 2.93Å; T318-N322 WeakPolarHBondContact O-CB 3.23Å; T318-N322 PolarHBondContact O-N 3.15Å; T318-N322 PolarHBondContact O-ND2 3.42Å
319	N	29.4	Very low	36.2	Very low	95 Å²	95	115.8 Å²	115.8	51%	0.508	60%	0.6	S	S	.	*	H	α-helix	trans	-74	-27.3	173.4	-76.2	-5	0	0	0	112.9	K315 L317 N323	K315-N319 WeakPolarHBondContact O-CB 3.27Å; K315-N319 PolarHBondContact O-N 3.1Å; L317-N319 VanDerWaalsContact C-N 3.35Å; L317-N319 PolarHBondContact O-N 3.34Å; N319-N323 WeakPolarHBondContact O-CB 3.42Å; N319-N323 VanDerWaalsContact O-CG 3.3Å; N319-N323 PolarHBondContact O-N 3.36Å; N319-N323 PolarHBondContact O-ND2 2.95Å
320	Y	27.5	Very low	33.4	Very low	166 Å²	166	117 Å²	117	65%	0.651	61%	0.611	S	S	*	*	H	α-helix	trans	-69	-44.6	174.3	-159.2	-95.8	0	0	0	111.3	H316 L317 V324	H316-Y320 WeakPolarHBondContact O-CB 3.17Å; H316-Y320 PolarHBondContact O-N 3.25Å; H316-Y320 VanDerWaalsContact O-N 3.15Å; L317-Y320 PolarHBondContact O-N 3.48Å; L317-Y320 VanDerWaalsContact O-N 3.15Å; Y320-V324 HydrophobicContact CE1-CG2 4.48Å; Y320-V324 WeakPolarHBondContact O-CG2 3.43Å; Y320-V324 PolarHBondContact O-N 3.1Å
321	F	27.6	Very low	31	Very low	139 Å²	139	118.9 Å²	118.9	61%	0.61	62%	0.62	S	S	*	*	H	α-helix	trans	-69.3	-33	176.1	-76.2	-71.8	0	0	0	113.2	L317	L317-F321 HydrophobicContact CD2-CD2 4.46Å; L317-F321 HydrophobicContact CD2-CE2 3.8Å; L317-F321 VanDerWaalsContact O-CD2 3.23Å; L317-F321 WeakPolarHBondContact O-CD2 3.49Å; L317-F321 PolarHBondContact O-N 2.98Å
322	N	29	Very low	28.9	Very low	88 Å²	88	123.9 Å²	123.9	47%	0.471	64%	0.641	S	S	.	*	H	α-helix	trans	-77.7	-31.4	177.4	-70.1	-16	0	0	0	113.2	T318	T318-N322 WeakPolarHBondContact O-CB 3.23Å; T318-N322 PolarHBondContact O-N 3.15Å; T318-N322 PolarHBondContact O-ND2 3.42Å
323	N	29.5	Very low	27.5	Very low	108 Å²	108	125.7 Å²	125.7	58%	0.578	65%	0.654	S	S	*	*	H	α-helix	trans	-80.5	-21.1	179.4	-78.6	-15.8	0	0	0	113.8	N319 N325 I327	N319-N323 WeakPolarHBondContact O-CB 3.42Å; N319-N323 VanDerWaalsContact O-CG 3.3Å; N319-N323 PolarHBondContact O-N 3.36Å; N319-N323 PolarHBondContact O-ND2 2.95Å; N323-N325 VanDerWaalsContact C-N 3.26Å; N323-N325 PolarHBondContact O-N 2.91Å; N323-I327 WeakPolarHBondContact O-CG1 3.47Å
324	V	29	Very low	26.7	Very low	96 Å²	96	126.9 Å²	126.9	58%	0.582	66%	0.664	S	S	*	*	H	α-helix	trans	-70.5	-26.1	172.5	176.5	0	0	0	0	111.4	Y320	Y320-V324 HydrophobicContact CE1-CG2 4.48Å; Y320-V324 WeakPolarHBondContact O-CG2 3.43Å; Y320-V324 PolarHBondContact O-N 3.1Å
325	N	28.1	Very low	26.4	Very low	136 Å²	136	124.4 Å²	124.4	73%	0.727	66%	0.662	S	S	*	*	S	Bend	trans	-93.3	-4.4	179.4	-73.3	-16.7	0	0	0	114.9	N323	N323-N325 VanDerWaalsContact C-N 3.26Å; N323-N325 PolarHBondContact O-N 2.91Å
326	H	26.8	Very low	26	Very low	148 Å²	148	123.6 Å²	123.6	69%	0.685	67%	0.665	S	S	*	*			trans	-125.2	22.1	-176.9	-80.7	-61.7	0	0	0	115	G328	H326-G328 PolarHBondContact O-N 3.22Å
327	I	25.5	Very low	25.7	Very low	163 Å²	163	125.2 Å²	125.2	84%	0.836	68%	0.678	S	S	*	*			trans	-75.2	72	159.9	-52.1	175.9	0	0	0	107.9	N323	N323-I327 WeakPolarHBondContact O-CG1 3.47Å
328	G	24.4	Very low	25.4	Very low	43 Å²	43	129.8 Å²	129.8	44%	0.443	69%	0.693	S	S	.	*	S	Bend	trans	-179.6	109.5	178.7	0	0	0	0	0	108.4	H326	H326-G328 PolarHBondContact O-N 3.22Å
329	H	22.8	Very low	25.2	Very low	196 Å²	196	135.3 Å²	135.3	91%	0.907	71%	0.712	S	S	*	*			trans	89.2	86.4	175.9	-57.7	-81.4	0	0	0	117.4
330	V	22.6	Very low	24.9	Very low	140 Å²	140	141.2 Å²	141.2	85%	0.848	73%	0.728	S	S	*	*			trans	-72.6	121.3	156.3	174.9	0	0	0	0	108.5
331	S	22.5	Very low	24.7	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	72%	0.72	S	S	*	*			trans	-138.2	123	162.8	67.4	0	0	0	0	111.6
332	H	21.9	Very low	24.8	Very low	173 Å²	173	134.9 Å²	134.9	80%	0.801	72%	0.722	S	S	*	*			trans	-53.1	134.2	169.2	-78.8	-97.2	0	0	0	113
333	N	22.8	Very low	24.6	Very low	157 Å²	157	137 Å²	137	84%	0.84	73%	0.734	S	S	*	*				-179.6	122.1	124.2	-97.8	-20.6	0	0	0	114.7
334	S	22.1	Very low	24.4	Very low	111 Å²	111	136.4 Å²	136.4	78%	0.776	73%	0.734	S	S	*	*				49	123.9	127.7	-139.5	0	0	0	0	123.7
335	S	22.6	Very low	24.1	Very low	94 Å²	94	138.8 Å²	138.8	66%	0.657	74%	0.737	S	S	*	*			trans	96.5	126.2	131.8	-145.3	0	0	0	0	121.6
336	N	23.9	Very low	24.1	Very low	137 Å²	137	137.1 Å²	137.1	73%	0.733	73%	0.731	S	S	*	*			trans	69.8	88.6	152.8	-68.3	-20.6	0	0	0	120.8
337	N	24.9	Very low	24.1	Very low	161 Å²	161	134.7 Å²	134.7	86%	0.861	72%	0.722	S	S	*	*				-155.3	101.9	126.4	-117.7	-22.7	0	0	0	111.8	K339	N337-K339 PolarHBondContact O-N 2.88Å
338	K	22.4	Very low	24.1	Very low	195 Å²	195	133.4 Å²	133.4	85%	0.848	71%	0.711	S	S	*	*			trans	-82	101.9	171.8	-72.6	176.4	178.7	174.5	0	109.1
339	K	23.7	Very low	24.3	Very low	184 Å²	184	137.3 Å²	137.3	80%	0.8	72%	0.722	S	S	*	*	S	Bend	trans	-179.2	117	147.8	-103.7	161.6	-177	176	0	108.9	N337	N337-K339 PolarHBondContact O-N 2.88Å
340	Y	23	Very low	24.4	Very low	219 Å²	219	131.2 Å²	131.2	86%	0.859	70%	0.699	S	S	*	*	S	Bend	trans	69.1	65.3	177.6	-58.5	-79.5	0	0	0	117.6
341	T	23.3	Very low	24.5	Very low	79 Å²	79	131.6 Å²	131.6	49%	0.485	69%	0.685	S	S	.	*			trans	-146.8	99.7	162.7	58.3	0	0	0	0	110.7
342	S	31.2	Very low	24.6	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	67%	0.665	S	S	*	*	S	Bend	trans	-148.9	-36.4	153.4	-68.6	0	0	0	0	113.3
343	N	24.1	Very low	24.7	Very low	133 Å²	133	122.7 Å²	122.7	71%	0.711	64%	0.642	S	S	*	*	H	α-helix	trans	-96.3	-25.1	-177.6	-71.1	4	0	0	0	114.7
344	T	24.9	Very low	24.8	Very low	95 Å²	95	121.7 Å²	121.7	58%	0.583	63%	0.632	S	S	*	*	H	α-helix	trans	-76.2	-25	177.7	33	0	0	0	0	113.9	F348	T344-F348 WeakPolarHBondContact O-CD2 3.47Å
345	K	23.4	Very low	25.1	Very low	146 Å²	146	120.2 Å²	120.2	64%	0.635	61%	0.614	S	S	*	*	H	α-helix	trans	-81.8	-30.6	179	-98.3	-177.1	175.6	179.5	0	113.8
346	V	26.9	Very low	25.3	Very low	100 Å²	100	120.7 Å²	120.7	61%	0.606	61%	0.609	S	S	*	*	H	α-helix	trans	-78.3	-39	-179.8	-179.5	0	0	0	0	110.7	F348 N349 T350	V346-F348 PolarHBondContact O-N 3.48Å; V346-N349 PolarHBondContact O-N 3.26Å; V346-T350 PolarHBondContact O-N 3.18Å; V346-T350 PolarHBondContact O-OG1 3.14Å; V346-T350 VanDerWaalsContact O-OG1 3.11Å
347	L	26.5	Very low	25.3	Very low	97 Å²	97	120.5 Å²	120.5	51%	0.508	61%	0.609	S	S	.	*	H	α-helix	trans	-66.2	-34	-178.4	-104.4	144.5	0	0	0	114.5	N349 T350 W351 L480	L347-N349 VanDerWaalsContact C-N 3.34Å; L347-N349 PolarHBondContact O-N 2.83Å; L347-T350 PolarHBondContact O-N 3.35Å; L347-W351 PolarHBondContact O-N 2.99Å; L347-L480 HydrophobicContact CD2-CD2 4.08Å
348	F	27.4	Very low	25.4	Very low	136 Å²	136	118.7 Å²	118.7	60%	0.596	60%	0.604	S	S	*	*	H	α-helix	trans	-72.3	-26.3	180	-98.3	-83.4	0	0	0	113.6	T344 V346	T344-F348 WeakPolarHBondContact O-CD2 3.47Å; V346-F348 PolarHBondContact O-N 3.48Å
349	N	26.7	Very low	25.5	Very low	125 Å²	125	115.8 Å²	115.8	67%	0.668	60%	0.596	S	S	*	*	H	α-helix	trans	-78.3	-31.7	175.2	-69.3	-9.9	0	0	0	111.4	V346 L347 G353	V346-N349 PolarHBondContact O-N 3.26Å; L347-N349 VanDerWaalsContact C-N 3.34Å; L347-N349 PolarHBondContact O-N 2.83Å; N349-G353 PolarHBondContact O-N 2.83Å
350	T	25.8	Very low	25.7	Very low	69 Å²	69	113.3 Å²	113.3	42%	0.423	59%	0.591	S	S	.	*	H	α-helix	trans	-71.5	-36.8	176.4	-37.7	0	0	0	0	112.1	V346 L347 N352 G353 Q354	V346-T350 PolarHBondContact O-N 3.18Å; V346-T350 PolarHBondContact O-OG1 3.14Å; V346-T350 VanDerWaalsContact O-OG1 3.11Å; L347-T350 PolarHBondContact O-N 3.35Å; T350-N352 VanDerWaalsContact C-N 3.35Å; T350-N352 PolarHBondContact O-N 3.2Å; T350-G353 PolarHBondContact O-N 2.9Å; T350-Q354 PolarHBondContact O-N 3.35Å
351	W	23.9	Very low	26	Very low	147 Å²	147	108.5 Å²	108.5	56%	0.557	58%	0.584	S	S	*	*	H	α-helix	trans	-63.5	-38.8	176.7	-164.2	72.3	0	0	0	112	L347 I355	L347-W351 PolarHBondContact O-N 2.99Å; W351-I355 HydrophobicContact CD2-CD1 4.07Å; W351-I355 HydrophobicContact CE3-CD1 4.2Å; W351-I355 HydrophobicContact CH2-CD1 4.37Å; W351-I355 HydrophobicContact CZ2-CD1 4.22Å; W351-I355 HydrophobicContact CZ3-CD1 4.35Å; W351-I355 VanDerWaalsContact O-CD1 3.28Å; W351-I355 WeakPolarHBondContact O-CD1 3.31Å; W351-I355 WeakPolarHBondContact O-CG1 3.33Å
352	N	25.3	Very low	26.2	Very low	69 Å²	69	112.3 Å²	112.3	37%	0.369	60%	0.602	S	S	.	*	H	α-helix	trans	-82.1	-28.6	175.1	-73.1	-28	0	0	0	113.6	T350 N356	T350-N352 VanDerWaalsContact C-N 3.35Å; T350-N352 PolarHBondContact O-N 3.2Å; N352-N356 PolarHBondContact O-N 2.99Å
353	G	23.6	Very low	26.1	Very low	30 Å²	30	117 Å²	117	31%	0.309	61%	0.613	S	S	.	*	H	α-helix	trans	-66.8	-43.8	175.3	0	0	0	0	0	112.5	N349 T350 N356 D357	N349-G353 PolarHBondContact O-N 2.83Å; T350-G353 PolarHBondContact O-N 2.9Å; G353-N356 PolarHBondContact O-N 3.47Å; G353-D357 PolarHBondContact O-N 3.17Å
354	Q	25.7	Very low	26.4	Very low	135 Å²	135	120.5 Å²	120.5	63%	0.631	62%	0.622	S	S	*	*	H	α-helix	trans	-72.2	-29.8	179.6	-74	-173.9	-59.1	0	0	113.6	T350 N356 T358	T350-Q354 PolarHBondContact O-N 3.35Å; Q354-N356 VanDerWaalsContact C-N 3.3Å; Q354-T358 PolarHBondContact O-N 3.15Å; Q354-T358 PolarHBondContact O-OG1 3.38Å
355	I	27	Very low	26.5	Very low	80 Å²	80	127.5 Å²	127.5	41%	0.41	64%	0.638	S	S	.	*	H	α-helix	trans	-69.2	-29.4	175.1	-68.2	172.3	0	0	0	111.3	W351	W351-I355 HydrophobicContact CD2-CD1 4.07Å; W351-I355 HydrophobicContact CE3-CD1 4.2Å; W351-I355 HydrophobicContact CH2-CD1 4.37Å; W351-I355 HydrophobicContact CZ2-CD1 4.22Å; W351-I355 HydrophobicContact CZ3-CD1 4.35Å; W351-I355 VanDerWaalsContact O-CD1 3.28Å; W351-I355 WeakPolarHBondContact O-CD1 3.31Å; W351-I355 WeakPolarHBondContact O-CG1 3.33Å
356	N	27.1	Very low	26.6	Very low	104 Å²	104	131.8 Å²	131.8	56%	0.556	65%	0.65	S	S	*	*	H	α-helix	trans	-90.8	-33.5	177.2	-75.6	-16	0	0	0	113.7	N352 G353 Q354 T358 L359	N352-N356 PolarHBondContact O-N 2.99Å; G353-N356 PolarHBondContact O-N 3.47Å; Q354-N356 VanDerWaalsContact C-N 3.3Å; N356-T358 VanDerWaalsContact C-N 3.3Å; N356-T358 PolarHBondContact O-N 2.96Å; N356-L359 WeakPolarHBondContact O-CB 3.48Å; N356-L359 PolarHBondContact O-N 2.75Å; N356-L359 VanDerWaalsContact O-N 3.12Å
357	D	24.8	Very low	26.5	Very low	134 Å²	134	132.6 Å²	132.6	72%	0.717	66%	0.658	S	S	*	*	H	α-helix	trans	-74.3	-20.7	179.6	-75.5	-19.3	0	0	0	113.1	G353 L359	G353-D357 PolarHBondContact O-N 3.17Å; D357-L359 VanDerWaalsContact C-N 3.26Å; D357-L359 PolarHBondContact O-N 3.14Å
358	T	25.9	Very low	26.4	Very low	123 Å²	123	134.7 Å²	134.7	76%	0.755	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-0.5	169.8	38.3	0	0	0	0	114.2	Q354 N356	Q354-T358 PolarHBondContact O-N 3.15Å; Q354-T358 PolarHBondContact O-OG1 3.38Å; N356-T358 VanDerWaalsContact C-N 3.3Å; N356-T358 PolarHBondContact O-N 2.96Å
359	L	26.3	Very low	26.2	Very low	133 Å²	133	134.6 Å²	134.6	70%	0.696	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-0.8	173.9	-85.2	161.4	0	0	0	114.2	N356 D357	N356-L359 WeakPolarHBondContact O-CB 3.48Å; N356-L359 PolarHBondContact O-N 2.75Å; N356-L359 VanDerWaalsContact O-N 3.12Å; D357-L359 VanDerWaalsContact C-N 3.26Å; D357-L359 PolarHBondContact O-N 3.14Å
360	I	26.2	Very low	26.1	Very low	132 Å²	132	136.1 Å²	136.1	68%	0.677	67%	0.672	S	S	*	*	S	Bend	trans	-126.5	115.8	175.1	-56.9	-174.6	0	0	0	109.8
361	T	29.2	Very low	26.2	Very low	118 Å²	118	136.6 Å²	136.6	72%	0.724	68%	0.675	S	S	*	*	S	Bend	trans	70	86.1	173.7	63.1	0	0	0	0	116.7
362	N	27.6	Very low	26.4	Very low	160 Å²	160	134.3 Å²	134.3	86%	0.856	67%	0.674	S	S	*	*				-175.9	119.9	113.2	-88.9	-38.6	0	0	0	110.8
363	Q	29.4	Very low	26.7	Very low	190 Å²	190	137 Å²	137	89%	0.888	69%	0.687	S	S	*	*			trans	-57.8	140.5	176.5	-66.6	167.2	-23.3	0	0	110.7
364	K	30.8	Very low	27	Very low	208 Å²	208	143.1 Å²	143.1	90%	0.904	71%	0.705	S	S	*	*			trans	104.8	30.1	170	-57.3	-178.6	177	176.6	0	119.5
365	R	26.7	Very low	28.1	Very low	241 Å²	241	139.7 Å²	139.7	91%	0.909	69%	0.691	S	S	*	*			trans	-115	124.6	152.7	-70.4	-170.1	-178.3	-164.9	1.7	110.1
366	R	25.8	Very low	30	Very low	237 Å²	237	137 Å²	137	89%	0.894	68%	0.68	S	S	*	*			trans	-55.9	138.9	175.9	-78.9	-178.7	175.7	176.1	-0.3	108.5	I368	R366-I368 PolarHBondContact O-N 3.27Å
367	P	24.3	Very low	32.1	Very low	117 Å²	117	137.3 Å²	137.3	76%	0.76	69%	0.687	S	S	*	*			trans	-57.8	125	175.8	-15.7	27.7	0	0	0	108.7	Q369	P367-Q369 PolarHBondContact O-N 2.64Å; P367-Q369 VanDerWaalsContact O-N 3.1Å
368	I	24.8	Very low	34.6	Very low	140 Å²	140	133.1 Å²	133.1	72%	0.718	67%	0.667	S	S	*	*			trans	-59.7	114.3	166.3	-64	167.2	0	0	0	105.1	R366 Q370	R366-I368 PolarHBondContact O-N 3.27Å; I368-Q370 PolarHBondContact O-N 3.25Å
369	Q	23.2	Very low	37.4	Very low	134 Å²	134	130.2 Å²	130.2	63%	0.626	65%	0.645	S	S	*	*			trans	-67.4	132.3	177.8	-70.6	-175.3	28.7	0	0	107.4	P367 T371 D372	P367-Q369 PolarHBondContact O-N 2.64Å; P367-Q369 VanDerWaalsContact O-N 3.1Å; Q369-T371 WeakPolarHBondContact CB-OG1 3.49Å; Q369-T371 PolarHBondContact O-N 3.35Å; Q369-D372 PolarHBondContact O-N 3.18Å
370	Q	25.5	Very low	40	Very low	157 Å²	157	126.7 Å²	126.7	73%	0.734	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-11.1	-178.9	-158	169.8	15.7	0	0	113.7	I368 F374	I368-Q370 PolarHBondContact O-N 3.25Å; Q370-F374 VanDerWaalsContact O-CD2 3.27Å; Q370-F374 WeakPolarHBondContact O-CD2 3.41Å; Q370-F374 WeakPolarHBondContact O-CE2 3.5Å
371	T	27.6	Very low	42.8	Very low	79 Å²	79	123 Å²	123	49%	0.485	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.9	-29.9	175.2	50.9	0	0	0	0	113.9	Q369 I373 F374	Q369-T371 WeakPolarHBondContact CB-OG1 3.49Å; Q369-T371 PolarHBondContact O-N 3.35Å; T371-I373 PolarHBondContact O-N 3.12Å; T371-F374 PolarHBondContact O-N 3.16Å
372	D	28.5	Very low	45.6	Very low	100 Å²	100	118.3 Å²	118.3	54%	0.535	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.2	-16.9	-173.3	-62.3	-17.9	0	0	0	112.7	Q369 F374	Q369-D372 PolarHBondContact O-N 3.18Å; D372-F374 VanDerWaalsContact C-N 3.33Å
373	I	29.5	Very low	48.5	Very low	125 Å²	125	114.1 Å²	114.1	64%	0.641	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-21.1	-179.7	-60.7	171.5	0	0	0	111.4	T371	T371-I373 PolarHBondContact O-N 3.12Å
374	F	30.1	Very low	51.3	Low	158 Å²	158	106.4 Å²	106.4	69%	0.693	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-9.5	-171.4	-66.5	-70.4	0	0	0	115.3	Q370 T371 D372 S376	Q370-F374 VanDerWaalsContact O-CD2 3.27Å; Q370-F374 WeakPolarHBondContact O-CD2 3.41Å; Q370-F374 WeakPolarHBondContact O-CE2 3.5Å; T371-F374 PolarHBondContact O-N 3.16Å; D372-F374 VanDerWaalsContact C-N 3.33Å; F374-S376 PolarHBondContact O-N 3.17Å
375	N	50.1	Low	54.1	Low	64 Å²	64	97 Å²	97	34%	0.342	47%	0.474	S	S	.	.	S	Bend	trans	-74.2	117.1	177	-70	-2.2	0	0	0	109.3	E379 Q380	N375-E379 WeakPolarHBondContact CA-OE2 3.16Å; N375-E379 HydrophobicContact CB-CB 4.4Å; N375-Q380 HydrophobicContact CB-CG 3.97Å; N375-Q380 PolarHBondContact O-NE2 3.32Å
376	S	66.1	Low	57.3	Low	24 Å²	24	87.2 Å²	87.2	17%	0.168	44%	0.44	C	S	.	.			trans	-56.8	154.1	175.7	64.7	0	0	0	0	110.9	F374 T378 E379 Q380	F374-S376 PolarHBondContact O-N 3.17Å; S376-T378 PolarHBondContact O-N 2.92Å; S376-T378 VanDerWaalsContact O-N 3.09Å; S376-E379 PolarHBondContact N-OE2 2.96Å; S376-E379 PolarHBondContact O-N 3.23Å; S376-E379 WeakPolarHBondContact OG-CG 3.46Å; S376-E379 PolarHBondContact OG-N 2.95Å; S376-E379 PolarHBondContact OG-OE2 3.23Å; S376-Q380 PolarHBondContact O-N 3.34Å
377	P	71.5	Confident	60.4	Low	109 Å²	109	76.7 Å²	76.7	71%	0.708	40%	0.402	S	S	*	.	H	α-helix	trans	-51.6	-34.7	174.4	-28.4	35.6	0	0	0	113.1	L381	P377-L381 WeakPolarHBondContact O-CB 3.43Å; P377-L381 PolarHBondContact O-N 2.68Å
378	T	78.2	Confident	63.5	Low	47 Å²	47	71.6 Å²	71.6	29%	0.288	37%	0.371	S	S	.	.	H	α-helix	trans	-65.7	-44.8	175.4	-51.9	0	0	0	0	112.5	V136 S376 L381 I382	V136-T378 HydrophobicContact CG1-CG2 4.01Å; S376-T378 PolarHBondContact O-N 2.92Å; S376-T378 VanDerWaalsContact O-N 3.09Å; T378-L381 PolarHBondContact O-N 2.98Å; T378-I382 HydrophobicContact CG2-CD1 4.16Å; T378-I382 VanDerWaalsContact O-CG1 3.31Å; T378-I382 WeakPolarHBondContact O-CG1 3.48Å; T378-I382 PolarHBondContact O-N 2.92Å
379	E	83.6	Confident	66.3	Low	62 Å²	62	66.9 Å²	66.9	29%	0.29	35%	0.347	S	S	.	.	H	α-helix	trans	-64.7	-40.5	177.8	-77	160.5	174	0	0	111.8	S250 N375 S376 L381 I382 E383	S250-E379 WeakPolarHBondContact CB-OE1 3.38Å; S250-E379 PolarHBondContact OG-OE1 2.97Å; N375-E379 WeakPolarHBondContact CA-OE2 3.16Å; N375-E379 HydrophobicContact CB-CB 4.4Å; S376-E379 PolarHBondContact N-OE2 2.96Å; S376-E379 PolarHBondContact O-N 3.23Å; S376-E379 WeakPolarHBondContact OG-CG 3.46Å; S376-E379 PolarHBondContact OG-N 2.95Å; S376-E379 PolarHBondContact OG-OE2 3.23Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 2.88Å; E379-I382 PolarHBondContact O-N 3.05Å; E379-E383 PolarHBondContact O-N 3.37Å
380	Q	81.8	Confident	68.9	Low	59 Å²	59	61.1 Å²	61.1	28%	0.276	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-44.6	173.1	-65.4	-179.7	45.5	0	0	110.7	N375 S376 I382 E383 H384	N375-Q380 HydrophobicContact CB-CG 3.97Å; N375-Q380 PolarHBondContact O-NE2 3.32Å; S376-Q380 PolarHBondContact O-N 3.34Å; Q380-I382 PolarHBondContact O-N 3.41Å; Q380-E383 WeakPolarHBondContact O-CB 3.34Å; Q380-E383 PolarHBondContact O-N 3.48Å; Q380-H384 PolarHBondContact O-N 3.15Å; Q380-H384 PolarHBondContact O-ND1 3.39Å
381	L	83.6	Confident	71	Confident	54 Å²	54	57.7 Å²	57.7	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-62.6	-41	177.8	-179.3	61.5	0	0	0	112.4	L134 P377 T378 E379 E383 H384 Y385 L390 T393	L134-L381 HydrophobicContact CD1-CD2 3.6Å; L134-L381 HydrophobicContact CD1-CG 3.89Å; L134-L381 HydrophobicContact CD2-CG 4.24Å; P377-L381 WeakPolarHBondContact O-CB 3.43Å; P377-L381 PolarHBondContact O-N 2.68Å; T378-L381 PolarHBondContact O-N 2.98Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 2.88Å; L381-E383 VanDerWaalsContact C-N 3.35Å; L381-H384 PolarHBondContact O-N 3.43Å; L381-Y385 WeakPolarHBondContact O-CB 3.44Å; L381-Y385 PolarHBondContact O-N 3.28Å; L381-L390 HydrophobicContact CD1-CD2 3.56Å; L381-T393 HydrophobicContact CD1-CG2 3.83Å
382	I	88.7	Confident	72.4	Confident	20 Å²	20	58 Å²	58	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-59.4	-45.8	174.1	-71.1	166.3	0	0	0	110.6	L134 V136 H140 V141 T378 E379 Q380 Y385 N386	L134-I382 HydrophobicContact CD2-CG1 4.01Å; V136-I382 HydrophobicContact CB-CD1 4.24Å; V136-I382 HydrophobicContact CB-CG1 4.37Å; V136-I382 HydrophobicContact CG1-CD1 4.02Å; V136-I382 HydrophobicContact CG1-CG1 3.98Å; V136-I382 HydrophobicContact CG2-CD1 4.44Å; V136-I382 HydrophobicContact CG2-CG1 4.18Å; H140-I382 HydrophobicContact CB-CD1 4.1Å; H140-I382 HydrophobicContact CB-CG2 4.05Å; V141-I382 HydrophobicContact CG1-CG2 4.37Å; T378-I382 HydrophobicContact CG2-CD1 4.16Å; T378-I382 VanDerWaalsContact O-CG1 3.31Å; T378-I382 WeakPolarHBondContact O-CG1 3.48Å; T378-I382 PolarHBondContact O-N 2.92Å; E379-I382 PolarHBondContact O-N 3.05Å; Q380-I382 PolarHBondContact O-N 3.41Å; I382-Y385 PolarHBondContact O-N 3.44Å; I382-N386 VanDerWaalsContact O-CB 3.29Å; I382-N386 WeakPolarHBondContact O-CB 3.02Å; I382-N386 VanDerWaalsContact O-CG 3.29Å; I382-N386 PolarHBondContact O-N 3.09Å; I382-N386 PolarHBondContact O-ND2 2.9Å
383	E	89.6	Confident	73.6	Confident	72 Å²	72	54.5 Å²	54.5	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-59.4	-48.9	178.7	-174.3	178.5	-176.3	0	0	111.5	E379 Q380 L381 Y385 N386 C387	E379-E383 PolarHBondContact O-N 3.37Å; Q380-E383 WeakPolarHBondContact O-CB 3.34Å; Q380-E383 PolarHBondContact O-N 3.48Å; L381-E383 VanDerWaalsContact C-N 3.35Å; E383-Y385 PolarHBondContact O-N 3.27Å; E383-N386 PolarHBondContact O-N 3Å; E383-C387 WeakPolarHBondContact O-CB 3.43Å; E383-C387 PolarHBondContact O-N 3.15Å; E383-C387 PolarHBondContact O-SG 3.07Å
384	H	87.5	Confident	74.8	Confident	28 Å²	28	50.9 Å²	50.9	13%	0.13	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-40.9	179	-72.9	84.6	0	0	0	112.5	Q380 L381 C387 G388 D389 L390 E392 T393	Q380-H384 PolarHBondContact O-N 3.15Å; Q380-H384 PolarHBondContact O-ND1 3.39Å; L381-H384 PolarHBondContact O-N 3.43Å; H384-C387 PolarHBondContact O-N 3.3Å; H384-G388 PolarHBondContact O-N 3.04Å; H384-D389 WeakPolarHBondContact CB-O 3.47Å; H384-D389 CarbonylContact O-C 3.49Å; H384-D389 PolarHBondContact O-N 2.67Å; H384-D389 VanDerWaalsContact O-N 3.1Å; H384-L390 HydrophobicContact CB-CD2 4.2Å; H384-E392 IonicContact NE2-OE2 3.23Å; H384-T393 VanDerWaalsContact CB-OG1 3.27Å; H384-T393 WeakPolarHBondContact CB-OG1 3.43Å; H384-T393 PolarHBondContact CD2-OG1 2.8Å
385	Y	90.4	Very high	75.4	Confident	10 Å²	10	46.1 Å²	46.1	4%	0.039	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-50	174.2	-177.4	-92	0	0	0	111.4	F118 F131 G132 L134 V141 L381 I382 E383 C387 G388 L390 A532	F118-Y385 HydrophobicContact CD2-CD2 4.06Å; F118-Y385 AromaticContact CD2-CE2 3.65Å; F118-Y385 HydrophobicContact CD2-CE2 3.65Å; F118-Y385 AromaticContact CE2-CD2 3.78Å; F118-Y385 HydrophobicContact CE2-CD2 3.78Å; F118-Y385 AromaticContact CE2-CE2 3.88Å; F118-Y385 HydrophobicContact CE2-CE2 3.88Å; F118-Y385 HydrophobicContact CE2-CG 4.31Å; F118-Y385 WeakPolarHBondContact CE2-O 3.01Å; F118-Y385 HydrophobicContact CG-CE2 4.13Å; F118-Y385 HydrophobicContact CZ-CD2 4.22Å; F131-Y385 WeakPolarHBondContact CZ-OH 3.39Å; G132-Y385 WeakPolarHBondContact O-CE2 3.44Å; G132-Y385 PolarHBondContact O-OH 3.48Å; L134-Y385 HydrophobicContact CB-CD1 4.48Å; L134-Y385 HydrophobicContact CB-CD2 4.05Å; L134-Y385 HydrophobicContact CB-CE2 4.09Å; L134-Y385 HydrophobicContact CB-CG 4.24Å; L134-Y385 HydrophobicContact CD2-CD1 4.48Å; L134-Y385 HydrophobicContact CD2-CD2 4.5Å; L134-Y385 HydrophobicContact CD2-CG 4.07Å; V141-Y385 HydrophobicContact CB-CD1 4.2Å; V141-Y385 HydrophobicContact CB-CE1 4.08Å; V141-Y385 HydrophobicContact CG1-CD1 3.84Å; V141-Y385 HydrophobicContact CG1-CE1 4.16Å; L381-Y385 WeakPolarHBondContact O-CB 3.44Å; L381-Y385 PolarHBondContact O-N 3.28Å; I382-Y385 PolarHBondContact O-N 3.44Å; E383-Y385 PolarHBondContact O-N 3.27Å; Y385-C387 PolarHBondContact O-N 3.16Å; Y385-G388 PolarHBondContact O-N 3.13Å; Y385-L390 HydrophobicContact CD2-CD1 4.2Å; Y385-A532 HydrophobicContact CE2-CB 4.31Å
386	N	93.2	Very high	74.9	Confident	36 Å²	36	49.2 Å²	49.2	19%	0.193	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-23.8	177.3	-77.5	-16.7	0	0	0	113	H140 V141 Q144 I382 E383 G388	H140-N386 PolarHBondContact O-ND2 2.94Å; V141-N386 WeakPolarHBondContact CA-OD1 3.5Å; Q144-N386 HydrophobicContact CB-CB 4.08Å; Q144-N386 HydrophobicContact CG-CB 3.97Å; I382-N386 VanDerWaalsContact O-CB 3.29Å; I382-N386 WeakPolarHBondContact O-CB 3.02Å; I382-N386 VanDerWaalsContact O-CG 3.29Å; I382-N386 PolarHBondContact O-N 3.09Å; I382-N386 PolarHBondContact O-ND2 2.9Å; E383-N386 PolarHBondContact O-N 3Å; N386-G388 VanDerWaalsContact C-N 3.33Å
387	C	90.6	Very high	73.4	Confident	15 Å²	15	53.4 Å²	53.4	10%	0.101	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-4.6	174.2	-70.5	0	0	0	0	114.7	C107 E383 H384 Y385 D389	C107-C387 WeakPolarHBondContact CA-SG 3.49Å; C107-C387 HydrophobicContact CB-CB 3.7Å; C107-C387 WeakPolarHBondContact CB-SG 3.44Å; C107-C387 WeakPolarHBondContact SG-CA 3.17Å; C107-C387 WeakPolarHBondContact SG-CB 3.26Å; C107-C387 CovalentContact SG-SG 2.04Å; C107-C387 PolarHBondContact SG-SG 3.26Å; E383-C387 WeakPolarHBondContact O-CB 3.43Å; E383-C387 PolarHBondContact O-N 3.15Å; E383-C387 PolarHBondContact O-SG 3.07Å; H384-C387 PolarHBondContact O-N 3.3Å; Y385-C387 PolarHBondContact O-N 3.16Å; C387-D389 VanDerWaalsContact C-N 3.27Å
388	G	88.5	Confident	71.4	Confident	10 Å²	10	52.1 Å²	52.1	10%	0.103	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	22.9	-178.7	0	0	0	0	0	113.1	N116 H384 Y385 N386	N116-G388 VanDerWaalsContact CB-O 3.32Å; N116-G388 WeakPolarHBondContact CB-O 3.38Å; N116-G388 PolarHBondContact N-O 3.19Å; N116-G388 VanDerWaalsContact N-O 3.08Å; N116-G388 VanDerWaalsContact O-CA 3.3Å; N116-G388 WeakPolarHBondContact O-CA 3.18Å; H384-G388 PolarHBondContact O-N 3.04Å; Y385-G388 PolarHBondContact O-N 3.13Å; N386-G388 VanDerWaalsContact C-N 3.33Å
389	D	85	Confident	68.9	Low	42 Å²	42	54.6 Å²	54.6	23%	0.225	28%	0.281	C	S	.	.			trans	-141.5	93.2	-178.2	-167.8	3.4	0	0	0	111.8	H384 C387 N391	H384-D389 WeakPolarHBondContact CB-O 3.47Å; H384-D389 CarbonylContact O-C 3.49Å; H384-D389 PolarHBondContact O-N 2.67Å; H384-D389 VanDerWaalsContact O-N 3.1Å; C387-D389 VanDerWaalsContact C-N 3.27Å; D389-N391 VanDerWaalsContact C-N 3.33Å; D389-N391 VanDerWaalsContact OD1-CB 3.23Å; D389-N391 WeakPolarHBondContact OD1-CB 3.23Å; D389-N391 PolarHBondContact OD1-N 3.06Å; D389-N391 PolarHBondContact OD1-ND2 3.2Å
390	L	77.3	Confident	66.1	Low	12 Å²	12	55.2 Å²	55.2	6%	0.063	29%	0.289	C	S	.	.			trans	-87.8	0.4	170.7	-72	179.5	0	0	0	112.9	F118 L381 H384 Y385 E392 T393 L394 A532 I536	F118-L390 HydrophobicContact CD1-CD1 4.45Å; F118-L390 HydrophobicContact CE1-CB 4.27Å; F118-L390 HydrophobicContact CE1-CD1 3.65Å; F118-L390 HydrophobicContact CE1-CG 3.84Å; F118-L390 HydrophobicContact CZ-CB 4.37Å; F118-L390 HydrophobicContact CZ-CD1 3.88Å; F118-L390 HydrophobicContact CZ-CG 3.68Å; L381-L390 HydrophobicContact CD1-CD2 3.56Å; H384-L390 HydrophobicContact CB-CD2 4.2Å; Y385-L390 HydrophobicContact CD2-CD1 4.2Å; L390-E392 PolarHBondContact O-N 3.26Å; L390-T393 PolarHBondContact O-N 3.02Å; L390-L394 HydrophobicContact CB-CD1 4.2Å; L390-L394 WeakPolarHBondContact O-CB 3.11Å; L390-L394 WeakPolarHBondContact O-CG 3.49Å; L390-L394 PolarHBondContact O-N 3.33Å; L390-A532 HydrophobicContact CD1-CB 3.78Å; L390-I536 HydrophobicContact CB-CD1 3.86Å; L390-I536 HydrophobicContact CD1-CD1 3.57Å; L390-I536 HydrophobicContact CG-CD1 4.33Å
391	N	68.8	Low	63.2	Low	86 Å²	86	59.9 Å²	59.9	46%	0.46	31%	0.311	S	S	.	.	H	α-helix	trans	-64.4	-43.6	-178.3	-69.4	-48.1	0	0	0	110.5	D389 T393 L394 T395	D389-N391 VanDerWaalsContact C-N 3.33Å; D389-N391 VanDerWaalsContact OD1-CB 3.23Å; D389-N391 WeakPolarHBondContact OD1-CB 3.23Å; D389-N391 PolarHBondContact OD1-N 3.06Å; D389-N391 PolarHBondContact OD1-ND2 3.2Å; N391-T393 VanDerWaalsContact C-N 3.31Å; N391-T393 PolarHBondContact O-N 3.08Å; N391-L394 PolarHBondContact O-N 3.01Å; N391-T395 WeakPolarHBondContact O-CA 3.16Å; N391-T395 WeakPolarHBondContact O-CB 3.39Å; N391-T395 PolarHBondContact O-N 3.4Å; N391-T395 PolarHBondContact O-OG1 3.25Å
392	E	57.7	Low	60.3	Low	84 Å²	84	63.1 Å²	63.1	39%	0.393	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-40.9	179.9	-170.3	173.7	169	0	0	111.5	H384 L390 R396	H384-E392 IonicContact NE2-OE2 3.23Å; L390-E392 PolarHBondContact O-N 3.26Å; E392-R396 WeakPolarHBondContact O-CG 3.33Å; E392-R396 PolarHBondContact O-N 3.33Å; E392-R396 IonicContact OE1-CZ 2.74Å; E392-R396 IonicContact OE1-NE 3.8Å; E392-R396 IonicContact OE1-NH2 2.65Å; E392-R396 PolarHBondContact OE1-NH2 3.44Å
393	T	53.2	Low	57	Low	27 Å²	27	67.6 Å²	67.6	17%	0.166	36%	0.362	C	S	.	.	H	α-helix	trans	-66.6	-46.5	178.6	-35.8	0	0	0	0	112.1	L381 H384 L390 N391 R396 M397	L381-T393 HydrophobicContact CD1-CG2 3.83Å; H384-T393 VanDerWaalsContact CB-OG1 3.27Å; H384-T393 WeakPolarHBondContact CB-OG1 3.43Å; H384-T393 PolarHBondContact CD2-OG1 2.8Å; L390-T393 PolarHBondContact O-N 3.02Å; N391-T393 VanDerWaalsContact C-N 3.31Å; N391-T393 PolarHBondContact O-N 3.08Å; T393-R396 PolarHBondContact O-N 3.48Å; T393-M397 WeakPolarHBondContact O-CG 3.47Å; T393-M397 PolarHBondContact O-N 3.14Å
394	L	54.5	Low	53.9	Low	49 Å²	49	70.8 Å²	70.8	26%	0.257	39%	0.388	S	S	.	.	H	α-helix	trans	-73.1	-30.6	178.9	-68.2	168.6	0	0	0	112.8	L390 N391 M397 S398 I536	L390-L394 HydrophobicContact CB-CD1 4.2Å; L390-L394 WeakPolarHBondContact O-CB 3.11Å; L390-L394 WeakPolarHBondContact O-CG 3.49Å; L390-L394 PolarHBondContact O-N 3.33Å; N391-L394 PolarHBondContact O-N 3.01Å; L394-M397 HydrophobicContact CD2-SD 4.01Å; L394-M397 CarbonylContact O-C 3.53Å; L394-M397 WeakPolarHBondContact O-CA 3.46Å; L394-M397 WeakPolarHBondContact O-CB 3.46Å; L394-M397 PolarHBondContact O-N 3.03Å; L394-S398 PolarHBondContact O-N 2.98Å; L394-S398 PolarHBondContact O-OG 3.31Å; L394-I536 HydrophobicContact CD1-CB 3.59Å; L394-I536 HydrophobicContact CD1-CD1 3.76Å; L394-I536 HydrophobicContact CD1-CG1 4.28Å; L394-I536 HydrophobicContact CD1-CG2 3.25Å
395	T	43.6	Very low	50.9	Low	58 Å²	58	73.3 Å²	73.3	36%	0.356	41%	0.409	S	S	.	.	H	α-helix	trans	-70.8	-35.6	175.1	-62.9	0	0	0	0	110.1	N391 M397 S398 L399	N391-T395 WeakPolarHBondContact O-CA 3.16Å; N391-T395 WeakPolarHBondContact O-CB 3.39Å; N391-T395 PolarHBondContact O-N 3.4Å; N391-T395 PolarHBondContact O-OG1 3.25Å; T395-M397 PolarHBondContact O-N 3.41Å; T395-S398 PolarHBondContact O-N 2.87Å; T395-S398 VanDerWaalsContact O-N 3.09Å; T395-L399 HydrophobicContact CG2-CD1 3.17Å; T395-L399 HydrophobicContact CG2-CD2 4.22Å; T395-L399 HydrophobicContact CG2-CG 3.39Å; T395-L399 VanDerWaalsContact O-CB 3.31Å; T395-L399 WeakPolarHBondContact O-CB 3.5Å; T395-L399 WeakPolarHBondContact O-CG 3.49Å; T395-L399 PolarHBondContact O-N 2.98Å
396	R	39.5	Very low	47.9	Very low	129 Å²	129	80 Å²	80	49%	0.487	45%	0.446	S	S	.	.	H	α-helix	trans	-62.3	-30.9	165.9	-73.4	-177.3	-170.1	-170.8	6.7	112	E392 T393 S398 F472	E392-R396 WeakPolarHBondContact O-CG 3.33Å; E392-R396 PolarHBondContact O-N 3.33Å; E392-R396 IonicContact OE1-CZ 2.74Å; E392-R396 IonicContact OE1-NE 3.8Å; E392-R396 IonicContact OE1-NH2 2.65Å; E392-R396 PolarHBondContact OE1-NH2 3.44Å; T393-R396 PolarHBondContact O-N 3.48Å; R396-S398 VanDerWaalsContact C-N 3.34Å; R396-F472 WeakPolarHBondContact O-CD2 3.43Å; R396-F472 VanDerWaalsContact O-CE2 3.23Å; R396-F472 WeakPolarHBondContact O-CE2 3.33Å
397	M	34.5	Very low	44.6	Very low	113 Å²	113	84.1 Å²	84.1	56%	0.557	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-11.7	172.7	-59.5	168.9	91.9	0	0	114	T393 L394 T395	T393-M397 WeakPolarHBondContact O-CG 3.47Å; T393-M397 PolarHBondContact O-N 3.14Å; L394-M397 HydrophobicContact CD2-SD 4.01Å; L394-M397 CarbonylContact O-C 3.53Å; L394-M397 WeakPolarHBondContact O-CA 3.46Å; L394-M397 WeakPolarHBondContact O-CB 3.46Å; L394-M397 PolarHBondContact O-N 3.03Å; T395-M397 PolarHBondContact O-N 3.41Å
398	S	30.3	Very low	41.4	Very low	81 Å²	81	87.7 Å²	87.7	57%	0.566	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	-10.5	-175.1	-66.6	0	0	0	0	116	L394 T395 R396	L394-S398 PolarHBondContact O-N 2.98Å; L394-S398 PolarHBondContact O-OG 3.31Å; T395-S398 PolarHBondContact O-N 2.87Å; T395-S398 VanDerWaalsContact O-N 3.09Å; R396-S398 VanDerWaalsContact C-N 3.34Å
399	L	25.5	Very low	38.3	Very low	99 Å²	99	95.3 Å²	95.3	52%	0.518	55%	0.546	S	S	.	.			trans	-93	108.2	-178.1	-74.8	-177.4	0	0	0	113.2	T395	T395-L399 HydrophobicContact CG2-CD1 3.17Å; T395-L399 HydrophobicContact CG2-CD2 4.22Å; T395-L399 HydrophobicContact CG2-CG 3.39Å; T395-L399 VanDerWaalsContact O-CB 3.31Å; T395-L399 WeakPolarHBondContact O-CB 3.5Å; T395-L399 WeakPolarHBondContact O-CG 3.49Å; T395-L399 PolarHBondContact O-N 2.98Å
400	T	23.9	Very low	35.3	Very low	76 Å²	76	100.5 Å²	100.5	47%	0.466	57%	0.572	S	S	.	*				-132.4	82.3	116.9	74.2	0	0	0	0	108.6	S470	T400-S470 VanDerWaalsContact CA-OG 3.3Å; T400-S470 WeakPolarHBondContact CA-OG 2.6Å; T400-S470 WeakPolarHBondContact CB-OG 3.37Å; T400-S470 VanDerWaalsContact N-CB 3.31Å; T400-S470 PolarHBondContact N-OG 2.84Å; T400-S470 WeakPolarHBondContact O-CB 2.71Å; T400-S470 WeakPolarHBondContact OG1-CB 3.04Å; T400-S470 PolarHBondContact OG1-OG 3.41Å
401	Q	21.5	Very low	32.7	Very low	156 Å²	156	104.7 Å²	104.7	73%	0.729	60%	0.603	S	S	*	*			trans	-101	81.3	150.9	-74.2	-172	10.7	0	0	106.9
402	T	21.5	Very low	30.5	Very low	122 Å²	122	106.9 Å²	106.9	75%	0.748	62%	0.62	S	S	*	*			trans	-108.8	94.8	154	52.8	0	0	0	0	106.7	P404	T402-P404 WeakPolarHBondContact O-CD 2.82Å
403	T	20.6	Very low	28.8	Very low	115 Å²	115	108 Å²	108	71%	0.706	64%	0.636	S	S	*	*			trans	-53.7	119.4	156.6	44.8	0	0	0	0	107.5	S405	T403-S405 VanDerWaalsContact C-N 3.25Å; T403-S405 PolarHBondContact O-N 3.04Å
404	P	25.2	Very low	27.5	Very low	138 Å²	138	112.1 Å²	112.1	90%	0.896	67%	0.666	S	S	*	*			trans	-76.5	86.4	172.4	30.2	-28.5	0	0	0	107.3	T402	T402-P404 WeakPolarHBondContact O-CD 2.82Å
405	S	23.7	Very low	26	Very low	81 Å²	81	118 Å²	118	57%	0.566	70%	0.697	S	S	*	*			trans	-127	120.9	161.6	55.2	0	0	0	0	107.2	T403	T403-S405 VanDerWaalsContact C-N 3.25Å; T403-S405 PolarHBondContact O-N 3.04Å
406	D	27.3	Very low	25	Very low	150 Å²	150	122.6 Å²	122.6	80%	0.802	72%	0.72	S	S	*	*	S	Bend	trans	75.6	77.6	165.1	-47.8	-24	0	0	0	115.8
407	S	24.3	Very low	24.1	Very low	124 Å²	124	124.5 Å²	124.5	87%	0.867	73%	0.734	S	S	*	*	S	Bend	trans	157.8	80.2	133	-67.3	0	0	0	0	111.6
408	A	23.7	Very low	23.5	Very low	90 Å²	90	127.1 Å²	127.1	74%	0.744	75%	0.748	S	S	*	*			trans	169	64.4	144.1	0	0	0	0	0	110.1	L410	A408-L410 PolarHBondContact O-N 3.49Å
409	L	21.8	Very low	22.9	Very low	170 Å²	170	128.2 Å²	128.2	89%	0.89	75%	0.752	S	S	*	*			trans	-64.9	82.9	140.7	-80.7	165.4	0	0	0	106.8
410	L	23.3	Very low	22.7	Very low	150 Å²	150	129.3 Å²	129.3	79%	0.785	76%	0.763	S	S	*	*			trans	-124.4	76.8	155.1	-78.6	173.8	0	0	0	106.3	A408 T412	A408-L410 PolarHBondContact O-N 3.49Å; L410-T412 PolarHBondContact O-N 3.17Å; L410-T412 VanDerWaalsContact O-N 3.12Å
411	S	22.5	Very low	22.5	Very low	101 Å²	101	134.6 Å²	134.6	71%	0.706	78%	0.779	S	S	*	*			trans	-53.4	104	154.5	41.4	0	0	0	0	109.2
412	T	21.6	Very low	22.5	Very low	132 Å²	132	134.6 Å²	134.6	81%	0.81	78%	0.784	S	S	*	*			trans	-117.4	70.1	150.9	60.8	0	0	0	0	107.1	L410	L410-T412 PolarHBondContact O-N 3.17Å; L410-T412 VanDerWaalsContact O-N 3.12Å
413	S	23.6	Very low	22.4	Very low	106 Å²	106	137 Å²	137	74%	0.741	79%	0.787	S	S	*	*			trans	-68.1	131	159.9	50.6	0	0	0	0	108.3
414	S	24.8	Very low	22.3	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	79%	0.789	S	S	*	*			trans	-36.9	127.8	176.2	-49.6	0	0	0	0	114	D416	S414-D416 PolarHBondContact O-N 2.95Å
415	L	23.7	Very low	22.1	Very low	173 Å²	173	137.6 Å²	137.6	91%	0.906	78%	0.783	S	S	*	*			trans	-83.5	86.3	168.5	-167.1	79.1	0	0	0	107.6
416	D	22	Very low	22.1	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	80%	0.797	S	S	*	*			trans	-117.7	120.8	159.4	-88.6	-34.1	0	0	0	109.2	S414 I418	S414-D416 PolarHBondContact O-N 2.95Å; D416-I418 PolarHBondContact O-N 3.03Å
417	H	19.8	Very low	21.6	Very low	170 Å²	170	141.9 Å²	141.9	79%	0.787	80%	0.801	S	S	*	*			trans	-45.5	120.2	170.7	-91	-82.7	0	0	0	112.9
418	I	22.9	Very low	21.6	Very low	168 Å²	168	141.8 Å²	141.8	86%	0.862	80%	0.798	S	S	*	*			trans	-140	124.4	131.5	-62.8	-171.1	0	0	0	109.3	D416	D416-I418 PolarHBondContact O-N 3.03Å
419	T	18.6	Very low	21.4	Very low	104 Å²	104	144.3 Å²	144.3	64%	0.638	80%	0.798	S	S	*	*			trans	-71.4	160.2	176.1	37	0	0	0	0	114.2
420	T	20	Very low	21.4	Very low	121 Å²	121	144.5 Å²	144.5	74%	0.742	80%	0.798	S	S	*	*			trans	83	107.9	150.8	63	0	0	0	0	120.7
421	K	19.3	Very low	21.1	Very low	188 Å²	188	142.3 Å²	142.3	82%	0.817	79%	0.791	S	S	*	*				49.9	106.2	125.1	-64	-176.9	177.8	-177.6	0	118.2
422	N	22.2	Very low	21	Very low	155 Å²	155	145 Å²	145	83%	0.829	79%	0.794	S	S	*	*				176.3	154.3	100.8	-96.5	-8.5	0	0	0	112.2
423	E	18.9	Very low	21	Very low	174 Å²	174	147.4 Å²	147.4	81%	0.813	80%	0.8	S	S	*	*			trans	-66.3	170.1	-174.4	-65.4	163.6	145.8	0	0	115.6
424	T	19.6	Very low	20.7	Very low	121 Å²	121	152.9 Å²	152.9	74%	0.742	81%	0.805	S	S	*	*			trans	90.5	116.8	155	57	0	0	0	0	120.7
425	N	21	Very low	20.5	Very low	144 Å²	144	156.2 Å²	156.2	77%	0.77	81%	0.805	S	S	*	*			trans	66.9	101.3	141	-62.5	-17.7	0	0	0	119.4
426	T	22.4	Very low	20.4	Very low	142 Å²	142	154.4 Å²	154.4	87%	0.871	80%	0.796	S	S	*	*				-179.5	119.1	106.6	25	0	0	0	0	112.2
427	M	18.1	Very low	20.5	Very low	179 Å²	179	152.4 Å²	152.4	88%	0.882	80%	0.801	S	S	*	*			trans	-77.3	136.5	160.4	-93	-95.8	114.8	0	0	109.9
428	P	23.9	Very low	20.4	Very low	122 Å²	122	150.3 Å²	150.3	79%	0.792	80%	0.8	S	S	*	*			trans	-95.3	107.7	155.6	5.2	14.4	0	0	0	110.1
429	L	18.9	Very low	20.3	Very low	143 Å²	143	146.6 Å²	146.6	75%	0.749	80%	0.795	S	S	*	*			trans	-59.8	123.9	163.9	175.4	79.6	0	0	0	111.6
430	I	21.4	Very low	20.4	Very low	173 Å²	173	150.4 Å²	150.4	89%	0.887	81%	0.805	S	S	*	*			trans	-141.4	96.8	133.2	-58.4	-173.1	0	0	0	108.2
431	T	18.9	Very low	20.6	Very low	104 Å²	104	153.5 Å²	153.5	64%	0.638	81%	0.811	S	S	*	*			trans	-110.4	143.6	166.3	-67.1	0	0	0	0	107.5
432	M	19.5	Very low	20.7	Very low	159 Å²	159	152.7 Å²	152.7	78%	0.783	81%	0.81	S	S	*	*			trans	87.7	96.3	164.1	-55.3	-118.8	-151.7	0	0	119
433	I	21.1	Very low	20.6	Very low	182 Å²	182	153.7 Å²	153.7	93%	0.933	81%	0.807	S	S	*	*				-126.7	96.1	128.2	-60.1	-178.5	0	0	0	107.7
434	R	18.7	Very low	20.7	Very low	221 Å²	221	155.5 Å²	155.5	83%	0.834	81%	0.813	S	S	*	*			trans	-130.9	115.4	165.8	179.5	-179.3	-168.8	168.8	4.1	106.2
435	K	20.5	Very low	20.7	Very low	183 Å²	183	154.9 Å²	154.9	80%	0.796	81%	0.814	S	S	*	*			trans	177	122.8	140.6	-99.4	169.5	-177.4	-177.8	0	112.4
436	N	20.8	Very low	20.8	Very low	135 Å²	135	156 Å²	156	72%	0.722	82%	0.82	S	S	*	*			trans	68.6	101.8	133.8	-58	-1.4	0	0	0	120.2
437	A	24.3	Very low	20.6	Very low	112 Å²	112	158.8 Å²	158.8	93%	0.926	82%	0.82	S	S	*	*			trans	-131.8	85.5	139.5	0	0	0	0	0	108.5
438	T	18.1	Very low	20.9	Very low	126 Å²	126	156.5 Å²	156.5	77%	0.773	82%	0.816	S	S	*	*			trans	-96.2	141.3	164.6	29	0	0	0	0	109.3
439	A	21.3	Very low	20.8	Very low	91 Å²	91	157.7 Å²	157.7	75%	0.752	82%	0.815	S	S	*	*			trans	102.7	127.7	147.5	0	0	0	0	0	119.2
440	Q	20.6	Very low	20.8	Very low	183 Å²	183	158.2 Å²	158.2	86%	0.855	82%	0.819	S	S	*	*			trans	103.6	108.3	147.2	-61.4	-174.1	-14.3	0	0	120
441	Q	24.2	Very low	20.8	Very low	186 Å²	186	157.5 Å²	157.5	87%	0.869	82%	0.815	S	S	*	*			trans	144.6	86.8	132.4	-80.3	-179	-5.6	0	0	108.7
442	Q	20.5	Very low	21.1	Very low	171 Å²	171	157.7 Å²	157.7	80%	0.799	82%	0.821	S	S	*	*				43.6	116.6	75.5	-79.7	-165	7.9	0	0	117.2
443	K	20.1	Very low	21.3	Very low	177 Å²	177	160.3 Å²	160.3	77%	0.77	83%	0.828	S	S	*	*			trans	76.6	99	147.9	-70.2	176	175.8	174.9	0	118.9
444	F	21.9	Very low	21.4	Very low	211 Å²	211	162.4 Å²	162.4	93%	0.925	82%	0.824	S	S	*	*				-141.2	109.3	124.7	-101.7	-82.4	0	0	0	109.5
445	S	18.3	Very low	21.7	Very low	109 Å²	109	160.2 Å²	160.2	76%	0.762	82%	0.823	S	S	*	*			trans	-80.4	128.5	163	-74.3	0	0	0	0	108.4
446	N	23.6	Very low	21.8	Very low	168 Å²	168	158.8 Å²	158.8	90%	0.898	82%	0.824	S	S	*	*			trans	-139.2	127.1	147.8	-98.9	-21.9	0	0	0	109.6
447	K	18.6	Very low	21.9	Very low	199 Å²	199	162.9 Å²	162.9	87%	0.865	83%	0.831	S	S	*	*			trans	-110.2	105.5	-166	-174.5	-175.4	-171.6	-177.7	0	106
448	V	23.8	Very low	21.8	Very low	132 Å²	132	167.3 Å²	167.3	80%	0.8	82%	0.824	S	S	*	*			trans	-139.4	104.2	163.3	-177.5	0	0	0	0	109.6
449	N	22	Very low	21.9	Very low	147 Å²	147	167.7 Å²	167.7	79%	0.786	83%	0.826	S	S	*	*			trans	45.6	111.7	146.3	-62.6	-10.7	0	0	0	121.8
450	N	19.6	Very low	22.1	Very low	154 Å²	154	170 Å²	170	82%	0.824	82%	0.821	S	S	*	*			trans	-27.8	129.8	142.3	-64.7	-31.3	0	0	0	114.9
451	I	21.6	Very low	22.2	Very low	158 Å²	158	167 Å²	167	81%	0.81	82%	0.82	S	S	*	*				167.2	105	113.7	-78.1	153.3	0	0	0	106.4
452	S	24.4	Very low	22.3	Very low	108 Å²	108	164.8 Å²	164.8	76%	0.755	81%	0.814	S	S	*	*			trans	167.4	120	141.9	-79.6	0	0	0	0	107.8	R454	S452-R454 PolarHBondContact O-N 3.46Å
453	K	23	Very low	22.5	Very low	213 Å²	213	162.1 Å²	162.1	93%	0.926	81%	0.811	S	S	*	*			trans	-53.3	94	-179	-66.2	172.6	178.9	175.3	0	109.9
454	R	23.3	Very low	22.7	Very low	226 Å²	226	159.4 Å²	159.4	85%	0.853	82%	0.815	S	S	*	*			trans	-87.7	111.8	176.5	-145.1	175.7	-172.1	179.4	1.7	106.9	S452 N456	S452-R454 PolarHBondContact O-N 3.46Å; R454-N456 PolarHBondContact O-N 2.91Å
455	H	25.7	Very low	22.9	Very low	175 Å²	175	154.1 Å²	154.1	81%	0.81	80%	0.804	S	S	*	*			trans	-53.4	110.9	170.2	-80	-81.2	0	0	0	108.9	Y457	H455-Y457 PolarHBondContact O-N 2.99Å
456	N	22.1	Very low	23.2	Very low	154 Å²	154	158.1 Å²	158.1	82%	0.824	81%	0.81	S	S	*	*			trans	-68.2	97.1	176.8	-76.9	-36.1	0	0	0	109.3	R454 R458	R454-N456 PolarHBondContact O-N 2.91Å; N456-R458 PolarHBondContact O-N 3.49Å
457	Y	22.8	Very low	23.3	Very low	221 Å²	221	154.3 Å²	154.3	87%	0.867	80%	0.797	S	S	*	*			trans	-70.2	90.7	148.2	-74.8	-80.5	0	0	0	106.6	H455 T459	H455-Y457 PolarHBondContact O-N 2.99Å; Y457-T459 PolarHBondContact O-N 3.4Å
458	R	21.5	Very low	23.7	Very low	205 Å²	205	150.7 Å²	150.7	77%	0.774	79%	0.792	S	S	*	*			trans	-65.1	98.8	173	-173.8	177.9	-174.1	169.5	1	107.5	N456 Q460	N456-R458 PolarHBondContact O-N 3.49Å; R458-Q460 VanDerWaalsContact C-N 3.31Å; R458-Q460 HydrophobicContact CG-CG 4.28Å; R458-Q460 PolarHBondContact O-N 3.33Å
459	T	22.2	Very low	24	Very low	134 Å²	134	148.5 Å²	148.5	82%	0.822	78%	0.78	S	S	*	*			trans	-65	93.8	162.8	40.5	0	0	0	0	107.7	Y457 S461	Y457-T459 PolarHBondContact O-N 3.4Å; T459-S461 PolarHBondContact O-N 3.07Å
460	Q	24.7	Very low	24.8	Very low	140 Å²	140	142.7 Å²	142.7	65%	0.654	75%	0.751	S	S	*	*			trans	-70.2	106.3	163.7	-74.4	177.4	-14.1	0	0	106.8	R458 L462	R458-Q460 VanDerWaalsContact C-N 3.31Å; R458-Q460 HydrophobicContact CG-CG 4.28Å; R458-Q460 PolarHBondContact O-N 3.33Å; Q460-L462 VanDerWaalsContact C-N 3.3Å; Q460-L462 PolarHBondContact O-N 2.98Å
461	S	22	Very low	26.1	Very low	119 Å²	119	138 Å²	138	83%	0.832	72%	0.722	S	S	*	*			trans	-64	91.7	164.6	53.4	0	0	0	0	108.4	T459	T459-S461 PolarHBondContact O-N 3.07Å
462	L	25.9	Very low	27.6	Very low	140 Å²	140	135.4 Å²	135.4	73%	0.733	71%	0.705	S	S	*	*			trans	-77.4	142.5	162.6	-120.1	80.1	0	0	0	108.6	Q460	Q460-L462 VanDerWaalsContact C-N 3.3Å; Q460-L462 PolarHBondContact O-N 2.98Å
463	P	25.6	Very low	28.8	Very low	114 Å²	114	130.9 Å²	130.9	74%	0.74	67%	0.672	S	S	*	*			trans	-62.6	143.3	-178.1	-14.8	28.4	0	0	0	110.8	S465	P463-S465 PolarHBondContact O-N 3.01Å
464	S	23.5	Very low	30.2	Very low	121 Å²	121	123.8 Å²	123.8	85%	0.846	65%	0.645	S	S	*	*			trans	-61.4	74.2	177.1	54.1	0	0	0	0	112.6
465	S	26.6	Very low	31.6	Very low	100 Å²	100	120.9 Å²	120.9	70%	0.699	64%	0.638	S	S	*	*			trans	-74.3	117.6	151.3	58.3	0	0	0	0	106.3	P463 S467	P463-S465 PolarHBondContact O-N 3.01Å; S465-S467 PolarHBondContact O-N 3.32Å
466	Q	24.3	Very low	33	Very low	192 Å²	192	119 Å²	119	90%	0.897	63%	0.63	S	S	*	*			trans	-52.3	97.2	176.9	-67.8	173	-11.7	0	0	109.5	T468	Q466-T468 PolarHBondContact O-N 3.42Å
467	S	26.8	Very low	34.7	Very low	89 Å²	89	114.4 Å²	114.4	62%	0.622	61%	0.605	S	S	*	*			trans	-71.7	97.9	173.4	55.2	0	0	0	0	107	S465 P469	S465-S467 PolarHBondContact O-N 3.32Å; S467-P469 VanDerWaalsContact O-CD 3.3Å; S467-P469 WeakPolarHBondContact O-CD 2.98Å
468	T	26.6	Very low	36.6	Very low	122 Å²	122	107.4 Å²	107.4	75%	0.748	58%	0.579	S	S	*	*			trans	-61.3	120.1	162.4	49.9	0	0	0	0	106.8	Q466 S470	Q466-T468 PolarHBondContact O-N 3.42Å; T468-S470 PolarHBondContact O-N 3.45Å
469	P	30.6	Very low	38.9	Very low	86 Å²	86	103.9 Å²	103.9	56%	0.558	58%	0.575	S	S	*	*			trans	-54.5	128	173.8	-22.2	32.9	0	0	0	108.5	S467 Y471	S467-P469 VanDerWaalsContact O-CD 3.3Å; S467-P469 WeakPolarHBondContact O-CD 2.98Å; P469-Y471 HydrophobicContact CB-CE2 4.3Å; P469-Y471 WeakPolarHBondContact O-CD2 3.43Å; P469-Y471 VanDerWaalsContact O-CE2 3.27Å; P469-Y471 WeakPolarHBondContact O-CE2 3.47Å; P469-Y471 PolarHBondContact O-N 3.48Å
470	S	39.2	Very low	41.4	Very low	26 Å²	26	103 Å²	103	18%	0.182	57%	0.565	C	S	.	*			trans	-80.2	107.5	174.1	160.8	0	0	0	0	108.9	T400 T468	T400-S470 VanDerWaalsContact CA-OG 3.3Å; T400-S470 WeakPolarHBondContact CA-OG 2.6Å; T400-S470 WeakPolarHBondContact CB-OG 3.37Å; T400-S470 VanDerWaalsContact N-CB 3.31Å; T400-S470 PolarHBondContact N-OG 2.84Å; T400-S470 WeakPolarHBondContact O-CB 2.71Å; T400-S470 WeakPolarHBondContact OG1-CB 3.04Å; T400-S470 PolarHBondContact OG1-OG 3.41Å; T468-S470 PolarHBondContact O-N 3.45Å
471	Y	46	Very low	44.2	Very low	55 Å²	55	97.8 Å²	97.8	22%	0.216	54%	0.542	C	S	.	.			trans	-72.2	144.2	174.1	-61.6	-77.9	0	0	0	112.3	P469 I473 I490 E493 K494	P469-Y471 HydrophobicContact CB-CE2 4.3Å; P469-Y471 WeakPolarHBondContact O-CD2 3.43Å; P469-Y471 VanDerWaalsContact O-CE2 3.27Å; P469-Y471 WeakPolarHBondContact O-CE2 3.47Å; P469-Y471 PolarHBondContact O-N 3.48Å; Y471-I473 PolarHBondContact O-N 3.49Å; Y471-I490 HydrophobicContact CD2-CG2 3.49Å; Y471-I490 VanDerWaalsContact CD2-CG2 3.49Å; Y471-I490 HydrophobicContact CE2-CG2 4.08Å; Y471-I490 HydrophobicContact CG-CG2 3.81Å; Y471-E493 WeakPolarHBondContact CB-OE2 3.5Å; Y471-E493 HydrophobicContact CD1-CB 4.46Å; Y471-E493 HydrophobicContact CD1-CG 4.15Å; Y471-K494 HydrophobicContact CE1-CB 3.8Å; Y471-K494 HydrophobicContact CE1-CG 4.31Å; Y471-K494 WeakPolarHBondContact OH-CG 3.38Å
472	F	52.2	Low	47.4	Very low	103 Å²	103	94.2 Å²	94.2	45%	0.452	52%	0.516	S	S	.	.			trans	-85.3	102.1	-173.1	-170.5	-97.6	0	0	0	111.3	R396 E493	R396-F472 WeakPolarHBondContact O-CD2 3.43Å; R396-F472 VanDerWaalsContact O-CE2 3.23Å; R396-F472 WeakPolarHBondContact O-CE2 3.33Å; F472-E493 PolarHBondContact N-OE1 3.4Å; F472-E493 PolarHBondContact N-OE2 3.42Å; F472-E493 VanDerWaalsContact N-OE2 3.1Å
473	I	50.2	Low	50.4	Low	13 Å²	13	93 Å²	93	7%	0.067	52%	0.517	C	S	.	.			trans	-121	122.1	156.3	-58.4	168.6	0	0	0	105.3	Y471 K475 I477 K478 V486 L489 I490	Y471-I473 PolarHBondContact O-N 3.49Å; I473-K475 PolarHBondContact O-N 2.86Å; I473-I477 HydrophobicContact CG2-CB 3.78Å; I473-I477 HydrophobicContact CG2-CG2 3.53Å; I473-K478 HydrophobicContact CB-CD 4.46Å; I473-K478 HydrophobicContact CB-CG 3.88Å; I473-K478 HydrophobicContact CG2-CG 3.61Å; I473-K478 VanDerWaalsContact O-CE 3.23Å; I473-K478 WeakPolarHBondContact O-CE 3.34Å; I473-V486 HydrophobicContact CD1-CB 4.21Å; I473-V486 HydrophobicContact CD1-CG1 3.5Å; I473-V486 VanDerWaalsContact CD1-CG1 3.5Å; I473-V486 WeakPolarHBondContact CD1-O 3.45Å; I473-L489 HydrophobicContact CD1-CB 3.78Å; I473-L489 HydrophobicContact CD1-CD1 4.3Å; I473-L489 HydrophobicContact CG1-CB 4.22Å; I473-L489 HydrophobicContact CG1-CD1 4.49Å; I473-I490 HydrophobicContact CD1-CD1 4.25Å; I473-I490 HydrophobicContact CD1-CG1 3.66Å; I473-I490 HydrophobicContact CG1-CG1 4.5Å
474	D	53.1	Low	53.4	Low	64 Å²	64	91.4 Å²	91.4	34%	0.342	51%	0.509	S	S	.	.			trans	-46.8	136.5	175.8	-164.9	-40.9	0	0	0	109.4	E476 I477 K478	D474-E476 PolarHBondContact O-N 3.36Å; D474-E476 VanDerWaalsContact O-N 3.15Å; D474-E476 PolarHBondContact OD1-N 3.46Å; D474-I477 HydrophobicContact CB-CB 4.2Å; D474-I477 HydrophobicContact CB-CD1 3.87Å; D474-I477 HydrophobicContact CB-CG1 3.94Å; D474-I477 WeakPolarHBondContact O-CA 3.23Å; D474-I477 PolarHBondContact O-N 3.44Å; D474-K478 PolarHBondContact O-N 3.29Å
475	K	53.2	Low	56.6	Low	166 Å²	166	88.8 Å²	88.8	72%	0.722	48%	0.483	S	S	*	.	H	α-helix	trans	-55.1	-33.2	178.6	-170.8	178.8	180	-178.6	0	111	I473 N479	I473-K475 PolarHBondContact O-N 2.86Å; K475-N479 PolarHBondContact O-N 3.47Å; K475-N479 PolarHBondContact O-ND2 3.42Å
476	E	53.8	Low	59.3	Low	136 Å²	136	85 Å²	85	64%	0.636	46%	0.456	S	S	*	.	H	α-helix	trans	-67.5	-42.5	175.4	-63.8	-175.1	-178.7	0	0	111.9	D474 N479 L480	D474-E476 PolarHBondContact O-N 3.36Å; D474-E476 VanDerWaalsContact O-N 3.15Å; D474-E476 PolarHBondContact OD1-N 3.46Å; E476-N479 PolarHBondContact O-N 2.99Å; E476-L480 WeakPolarHBondContact O-CG 3.4Å; E476-L480 PolarHBondContact O-N 2.61Å
477	I	58.6	Low	62.4	Low	57 Å²	57	80.2 Å²	80.2	29%	0.292	43%	0.433	S	S	.	.	H	α-helix	trans	-66.2	-39.7	176.5	-64.9	172.7	0	0	0	110.8	I473 D474 N479 L480 L481	I473-I477 HydrophobicContact CG2-CB 3.78Å; I473-I477 HydrophobicContact CG2-CG2 3.53Å; D474-I477 HydrophobicContact CB-CB 4.2Å; D474-I477 HydrophobicContact CB-CD1 3.87Å; D474-I477 HydrophobicContact CB-CG1 3.94Å; D474-I477 WeakPolarHBondContact O-CA 3.23Å; D474-I477 PolarHBondContact O-N 3.44Å; I477-N479 PolarHBondContact O-N 3.29Å; I477-L480 PolarHBondContact O-N 3.5Å; I477-L481 HydrophobicContact CG2-CD1 3.46Å; I477-L481 VanDerWaalsContact CG2-CD1 3.46Å; I477-L481 HydrophobicContact CG2-CG 3.99Å; I477-L481 WeakPolarHBondContact O-CG 3.19Å; I477-L481 PolarHBondContact O-N 2.87Å
478	K	62	Low	65.4	Low	73 Å²	73	77.8 Å²	77.8	32%	0.317	42%	0.415	S	S	.	.	H	α-helix	trans	-57.4	-34.3	177.4	-73	-176.6	179.2	173.7	0	112.7	I473 D474 L480 V486	I473-K478 HydrophobicContact CB-CD 4.46Å; I473-K478 HydrophobicContact CB-CG 3.88Å; I473-K478 HydrophobicContact CG2-CG 3.61Å; I473-K478 VanDerWaalsContact O-CE 3.23Å; I473-K478 WeakPolarHBondContact O-CE 3.34Å; D474-K478 PolarHBondContact O-N 3.29Å; K478-L480 VanDerWaalsContact C-N 3.35Å; K478-V486 HydrophobicContact CG-CG1 4.41Å
479	N	70.3	Confident	68.1	Low	131 Å²	131	73.7 Å²	73.7	70%	0.701	39%	0.388	S	S	*	.	H	α-helix	trans	-78.8	-18.5	179.6	-67.6	-18.7	0	0	0	113.4	K475 E476 I477	K475-N479 PolarHBondContact O-N 3.47Å; K475-N479 PolarHBondContact O-ND2 3.42Å; E476-N479 PolarHBondContact O-N 2.99Å; I477-N479 PolarHBondContact O-N 3.29Å
480	L	75.5	Confident	70.6	Confident	117 Å²	117	71.1 Å²	71.1	61%	0.613	37%	0.369	S	S	*	.	H	α-helix	trans	-92.9	-16.8	-179.2	-67.2	169.3	0	0	0	113.1	L347 E476 I477 K478	L347-L480 HydrophobicContact CD2-CD2 4.08Å; E476-L480 WeakPolarHBondContact O-CG 3.4Å; E476-L480 PolarHBondContact O-N 2.61Å; I477-L480 PolarHBondContact O-N 3.5Å; K478-L480 VanDerWaalsContact C-N 3.35Å
481	L	83	Confident	73	Confident	30 Å²	30	73 Å²	73	16%	0.157	38%	0.378	C	S	.	.	S	Bend	trans	-109.5	150.4	-173.4	-63.8	-174.3	0	0	0	111.7	F298 I302 I477 Q485 V486 L489	F298-L481 HydrophobicContact CE1-CD1 4.36Å; F298-L481 HydrophobicContact CZ-CD1 4.03Å; F298-L481 HydrophobicContact CZ-CD2 3.92Å; I302-L481 HydrophobicContact CD1-CD1 3.89Å; I302-L481 HydrophobicContact CD1-CD2 4.24Å; I477-L481 HydrophobicContact CG2-CD1 3.46Å; I477-L481 VanDerWaalsContact CG2-CD1 3.46Å; I477-L481 HydrophobicContact CG2-CG 3.99Å; I477-L481 WeakPolarHBondContact O-CG 3.19Å; I477-L481 PolarHBondContact O-N 2.87Å; L481-Q485 HydrophobicContact CB-CB 3.94Å; L481-Q485 HydrophobicContact CD1-CB 4.45Å; L481-Q485 HydrophobicContact CD2-CB 4.49Å; L481-V486 HydrophobicContact CB-CG2 3.78Å; L481-L489 HydrophobicContact CD1-CD1 3.66Å
482	S	88.4	Confident	74.8	Confident	43 Å²	43	71 Å²	71	30%	0.301	37%	0.371	S	S	.	.			trans	-66.5	157.1	169.8	75.3	0	0	0	0	110.8	S484 Q485 V486	S482-S484 PolarHBondContact O-N 3.23Å; S482-S484 VanDerWaalsContact O-N 3.16Å; S482-S484 PolarHBondContact OG-OG 2.88Å; S482-Q485 WeakPolarHBondContact O-CB 3.42Å; S482-Q485 PolarHBondContact O-N 3.04Å; S482-Q485 WeakPolarHBondContact OG-CB 3.49Å; S482-Q485 VanDerWaalsContact OG-CG 3.31Å; S482-Q485 WeakPolarHBondContact OG-CG 3.34Å; S482-Q485 PolarHBondContact OG-N 3.31Å; S482-Q485 PolarHBondContact OG-OE1 2.9Å; S482-V486 WeakPolarHBondContact O-CG2 3.46Å; S482-V486 PolarHBondContact O-N 3.33Å
483	P	88.2	Confident	76.2	Confident	115 Å²	115	68.7 Å²	68.7	75%	0.747	36%	0.361	S	S	*	.	H	α-helix	trans	-53.3	-37.1	174	-28.2	35.5	0	0	0	113.4	V486 Q487	P483-V486 PolarHBondContact O-N 3.22Å; P483-Q487 WeakPolarHBondContact O-CB 3.38Å; P483-Q487 PolarHBondContact O-N 3.22Å
484	S	90.5	Very high	77.9	Confident	81 Å²	81	73.7 Å²	73.7	57%	0.566	38%	0.382	S	S	*	.	H	α-helix	trans	-68.1	-36.9	177.3	67.1	0	0	0	0	113	S482 Q487 T488	S482-S484 PolarHBondContact O-N 3.23Å; S482-S484 VanDerWaalsContact O-N 3.16Å; S482-S484 PolarHBondContact OG-OG 2.88Å; S484-Q487 PolarHBondContact O-N 3.11Å; S484-T488 PolarHBondContact O-N 2.9Å; S484-T488 PolarHBondContact O-OG1 3.11Å
485	Q	88.8	Confident	79.6	Confident	65 Å²	65	73.3 Å²	73.3	30%	0.304	38%	0.376	S	S	.	.	H	α-helix	trans	-68.7	-44	175.8	-80.1	176.6	-32.9	0	0	111.5	F298 L481 S482 Q487 T488 L489	F298-Q485 HydrophobicContact CD2-CG 4.39Å; F298-Q485 HydrophobicContact CE1-CB 3.79Å; F298-Q485 HydrophobicContact CE1-CG 4.09Å; F298-Q485 WeakPolarHBondContact CE1-O 3.47Å; F298-Q485 HydrophobicContact CE2-CB 4.12Å; F298-Q485 HydrophobicContact CE2-CG 3.59Å; F298-Q485 VanDerWaalsContact CE2-NE2 3.28Å; F298-Q485 HydrophobicContact CZ-CB 3.38Å; F298-Q485 HydrophobicContact CZ-CG 3.4Å; F298-Q485 VanDerWaalsContact CZ-CG 3.4Å; L481-Q485 HydrophobicContact CB-CB 3.94Å; L481-Q485 HydrophobicContact CD1-CB 4.45Å; L481-Q485 HydrophobicContact CD2-CB 4.49Å; S482-Q485 WeakPolarHBondContact O-CB 3.42Å; S482-Q485 PolarHBondContact O-N 3.04Å; S482-Q485 WeakPolarHBondContact OG-CB 3.49Å; S482-Q485 VanDerWaalsContact OG-CG 3.31Å; S482-Q485 WeakPolarHBondContact OG-CG 3.34Å; S482-Q485 PolarHBondContact OG-N 3.31Å; S482-Q485 PolarHBondContact OG-OE1 2.9Å; Q485-Q487 VanDerWaalsContact C-N 3.3Å; Q485-Q487 PolarHBondContact O-N 3.21Å; Q485-T488 WeakPolarHBondContact O-CB 3.49Å; Q485-T488 PolarHBondContact O-N 3.5Å; Q485-L489 PolarHBondContact O-N 3.09Å
486	V	85	Confident	81.1	Confident	22 Å²	22	67.8 Å²	67.8	13%	0.133	35%	0.354	C	S	.	.	H	α-helix	trans	-56.8	-47	172.3	173.9	0	0	0	0	109.8	I473 K478 L481 S482 P483 T488 L489 I490	I473-V486 HydrophobicContact CD1-CB 4.21Å; I473-V486 HydrophobicContact CD1-CG1 3.5Å; I473-V486 VanDerWaalsContact CD1-CG1 3.5Å; I473-V486 WeakPolarHBondContact CD1-O 3.45Å; K478-V486 HydrophobicContact CG-CG1 4.41Å; L481-V486 HydrophobicContact CB-CG2 3.78Å; S482-V486 WeakPolarHBondContact O-CG2 3.46Å; S482-V486 PolarHBondContact O-N 3.33Å; P483-V486 PolarHBondContact O-N 3.22Å; V486-T488 VanDerWaalsContact C-N 3.31Å; V486-T488 PolarHBondContact O-N 3.12Å; V486-L489 PolarHBondContact O-N 3.15Å; V486-I490 HydrophobicContact CG1-CD1 4.11Å; V486-I490 WeakPolarHBondContact O-CG1 3.47Å; V486-I490 PolarHBondContact O-N 3.42Å; V486-I490 VanDerWaalsContact O-N 3.11Å
487	Q	88.7	Confident	82.5	Confident	90 Å²	90	65.2 Å²	65.2	42%	0.421	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-38.5	177.9	-170.1	59.8	47.9	0	0	112.6	P483 S484 Q485 L489 I490 D491	P483-Q487 WeakPolarHBondContact O-CB 3.38Å; P483-Q487 PolarHBondContact O-N 3.22Å; S484-Q487 PolarHBondContact O-N 3.11Å; Q485-Q487 VanDerWaalsContact C-N 3.3Å; Q485-Q487 PolarHBondContact O-N 3.21Å; Q487-L489 VanDerWaalsContact C-N 3.3Å; Q487-L489 PolarHBondContact O-N 3.31Å; Q487-I490 PolarHBondContact O-N 2.98Å; Q487-D491 PolarHBondContact NE2-OD1 3.45Å; Q487-D491 WeakPolarHBondContact O-CB 3.48Å; Q487-D491 PolarHBondContact O-N 3.35Å
488	T	89	Confident	84	Confident	39 Å²	39	65.7 Å²	65.7	24%	0.239	35%	0.346	C	S	.	.	H	α-helix	trans	-60	-39.6	178.3	-59.5	0	0	0	0	111.9	Q295 F298 S484 Q485 V486 L492	Q295-T488 HydrophobicContact CB-CG2 4.17Å; Q295-T488 HydrophobicContact CG-CG2 3.71Å; F298-T488 HydrophobicContact CB-CG2 4.44Å; F298-T488 HydrophobicContact CD1-CG2 3.95Å; S484-T488 PolarHBondContact O-N 2.9Å; S484-T488 PolarHBondContact O-OG1 3.11Å; Q485-T488 WeakPolarHBondContact O-CB 3.49Å; Q485-T488 PolarHBondContact O-N 3.5Å; V486-T488 VanDerWaalsContact C-N 3.31Å; V486-T488 PolarHBondContact O-N 3.12Å; T488-L492 WeakPolarHBondContact O-CB 3.45Å; T488-L492 PolarHBondContact O-N 3.48Å; T488-L492 VanDerWaalsContact O-N 3.09Å
489	L	83.1	Confident	85.3	Confident	35 Å²	35	63.4 Å²	63.4	18%	0.183	34%	0.337	C	S	.	.	H	α-helix	trans	-71.3	-40.7	176.4	-66.4	174.1	0	0	0	112	F298 I302 I473 L481 Q485 V486 Q487 D491 L492 E493	F298-L489 HydrophobicContact CD1-CD2 4.08Å; F298-L489 HydrophobicContact CD1-CG 4.24Å; F298-L489 HydrophobicContact CE1-CD1 4.13Å; F298-L489 HydrophobicContact CE1-CD2 4.06Å; F298-L489 HydrophobicContact CE1-CG 3.81Å; I302-L489 HydrophobicContact CD1-CD1 3.95Å; I302-L489 HydrophobicContact CD1-CD2 4.32Å; I473-L489 HydrophobicContact CD1-CB 3.78Å; I473-L489 HydrophobicContact CD1-CD1 4.3Å; I473-L489 HydrophobicContact CG1-CB 4.22Å; I473-L489 HydrophobicContact CG1-CD1 4.49Å; L481-L489 HydrophobicContact CD1-CD1 3.66Å; Q485-L489 PolarHBondContact O-N 3.09Å; V486-L489 PolarHBondContact O-N 3.15Å; Q487-L489 VanDerWaalsContact C-N 3.3Å; Q487-L489 PolarHBondContact O-N 3.31Å; L489-D491 VanDerWaalsContact C-N 3.33Å; L489-D491 PolarHBondContact O-N 3.39Å; L489-L492 PolarHBondContact O-N 3.4Å; L489-E493 WeakPolarHBondContact O-CB 3.29Å; L489-E493 PolarHBondContact O-N 3.44Å
490	I	84.7	Confident	86.1	Confident	33 Å²	33	59.1 Å²	59.1	17%	0.169	31%	0.314	C	S	.	.	H	α-helix	trans	-58.7	-46.5	174.1	-68.3	173.8	0	0	0	110.6	Y471 I473 V486 Q487 L492 E493 K494	Y471-I490 HydrophobicContact CD2-CG2 3.49Å; Y471-I490 VanDerWaalsContact CD2-CG2 3.49Å; Y471-I490 HydrophobicContact CE2-CG2 4.08Å; Y471-I490 HydrophobicContact CG-CG2 3.81Å; I473-I490 HydrophobicContact CD1-CD1 4.25Å; I473-I490 HydrophobicContact CD1-CG1 3.66Å; I473-I490 HydrophobicContact CG1-CG1 4.5Å; V486-I490 HydrophobicContact CG1-CD1 4.11Å; V486-I490 WeakPolarHBondContact O-CG1 3.47Å; V486-I490 PolarHBondContact O-N 3.42Å; V486-I490 VanDerWaalsContact O-N 3.11Å; Q487-I490 PolarHBondContact O-N 2.98Å; I490-L492 VanDerWaalsContact C-N 3.32Å; I490-L492 PolarHBondContact O-N 3.39Å; I490-E493 PolarHBondContact O-N 3.27Å; I490-K494 VanDerWaalsContact O-CB 3.29Å; I490-K494 WeakPolarHBondContact O-CB 3.43Å; I490-K494 PolarHBondContact O-N 3.02Å
491	D	88.5	Confident	86.5	Confident	66 Å²	66	55.7 Å²	55.7	35%	0.353	30%	0.295	S	S	.	.	H	α-helix	trans	-64.8	-39.1	-179.5	-67	-20.5	0	0	0	111.5	Q487 L489 Y495	Q487-D491 PolarHBondContact NE2-OD1 3.45Å; Q487-D491 WeakPolarHBondContact O-CB 3.48Å; Q487-D491 PolarHBondContact O-N 3.35Å; L489-D491 VanDerWaalsContact C-N 3.33Å; L489-D491 PolarHBondContact O-N 3.39Å; D491-Y495 WeakPolarHBondContact O-CB 3.41Å; D491-Y495 PolarHBondContact O-N 2.92Å
492	L	85	Confident	86.8	Confident	13 Å²	13	56 Å²	56	7%	0.068	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-48.2	175	177	59.4	0	0	0	111.5	I291 Q295 A299 T488 L489 I490 Y495 L496	I291-L492 HydrophobicContact CD1-CD1 4.23Å; I291-L492 HydrophobicContact CG1-CD1 4.48Å; I291-L492 HydrophobicContact CG2-CD1 3.39Å; Q295-L492 HydrophobicContact CB-CB 4.42Å; Q295-L492 HydrophobicContact CB-CD1 4.42Å; A299-L492 HydrophobicContact CB-CD2 4.09Å; T488-L492 WeakPolarHBondContact O-CB 3.45Å; T488-L492 PolarHBondContact O-N 3.48Å; T488-L492 VanDerWaalsContact O-N 3.09Å; L489-L492 PolarHBondContact O-N 3.4Å; I490-L492 VanDerWaalsContact C-N 3.32Å; I490-L492 PolarHBondContact O-N 3.39Å; L492-Y495 PolarHBondContact O-N 3.22Å; L492-L496 HydrophobicContact CD1-CD1 4.06Å; L492-L496 HydrophobicContact CD1-CG 4.16Å; L492-L496 HydrophobicContact CG-CD1 4.03Å; L492-L496 WeakPolarHBondContact O-CB 3.44Å; L492-L496 VanDerWaalsContact O-CG 3.29Å; L492-L496 WeakPolarHBondContact O-CG 3.21Å; L492-L496 PolarHBondContact O-N 2.75Å
493	E	80.5	Confident	87.1	Confident	53 Å²	53	59.1 Å²	59.1	25%	0.248	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-45.9	178.1	-175.1	-177.5	169.7	0	0	111.3	Y471 F472 L489 I490 Y495 L496 N497	Y471-E493 WeakPolarHBondContact CB-OE2 3.5Å; Y471-E493 HydrophobicContact CD1-CB 4.46Å; Y471-E493 HydrophobicContact CD1-CG 4.15Å; F472-E493 PolarHBondContact N-OE1 3.4Å; F472-E493 PolarHBondContact N-OE2 3.42Å; F472-E493 VanDerWaalsContact N-OE2 3.1Å; L489-E493 WeakPolarHBondContact O-CB 3.29Å; L489-E493 PolarHBondContact O-N 3.44Å; I490-E493 PolarHBondContact O-N 3.27Å; E493-Y495 VanDerWaalsContact C-N 3.33Å; E493-Y495 PolarHBondContact O-N 3.39Å; E493-L496 PolarHBondContact O-N 3.39Å; E493-N497 WeakPolarHBondContact O-CB 3.42Å; E493-N497 PolarHBondContact O-N 2.86Å
494	K	85.3	Confident	87.3	Confident	119 Å²	119	54.6 Å²	54.6	52%	0.517	27%	0.272	S	S	.	.	H	α-helix	trans	-57.3	-46.8	175.3	179.1	178.8	177.9	-176.5	0	111.5	Y471 I490 E498	Y471-K494 HydrophobicContact CE1-CB 3.8Å; Y471-K494 HydrophobicContact CE1-CG 4.31Å; Y471-K494 WeakPolarHBondContact OH-CG 3.38Å; I490-K494 VanDerWaalsContact O-CB 3.29Å; I490-K494 WeakPolarHBondContact O-CB 3.43Å; I490-K494 PolarHBondContact O-N 3.02Å; K494-E498 WeakPolarHBondContact O-CB 3.49Å; K494-E498 PolarHBondContact O-N 3.45Å
495	Y	89	Confident	87.6	Confident	56 Å²	56	50.8 Å²	50.8	22%	0.22	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-47.9	177.5	173.9	-88.6	0	0	0	111.5	P287 R290 I291 D491 L492 E493 N497 E498 E499	P287-Y495 VanDerWaalsContact O-CE1 3.26Å; P287-Y495 WeakPolarHBondContact O-CE1 3.33Å; P287-Y495 PolarHBondContact O-OH 3Å; R290-Y495 WeakPolarHBondContact CB-OH 3.47Å; I291-Y495 HydrophobicContact CB-CE1 4.47Å; I291-Y495 HydrophobicContact CD1-CE1 4.36Å; I291-Y495 HydrophobicContact CG1-CD1 3.86Å; I291-Y495 HydrophobicContact CG1-CE1 3.42Å; I291-Y495 VanDerWaalsContact CG1-CE1 3.42Å; D491-Y495 WeakPolarHBondContact O-CB 3.41Å; D491-Y495 PolarHBondContact O-N 2.92Å; L492-Y495 PolarHBondContact O-N 3.22Å; E493-Y495 VanDerWaalsContact C-N 3.33Å; E493-Y495 PolarHBondContact O-N 3.39Å; Y495-N497 PolarHBondContact O-N 3.01Å; Y495-E498 PolarHBondContact O-N 2Å; Y495-E499 HydrophobicContact CD1-CG 4.43Å; Y495-E499 HydrophobicContact CD2-CG 4.2Å; Y495-E499 HydrophobicContact CE1-CG 3.97Å; Y495-E499 HydrophobicContact CE2-CG 3.75Å; Y495-E499 WeakPolarHBondContact O-CB 3.4Å; Y495-E499 PolarHBondContact O-N 3.26Å
496	L	85.7	Confident	88	Confident	49 Å²	49	53.5 Å²	53.5	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-44	-180	-71.7	171.4	0	0	0	111.8	L288 I291 L492 E493 L500	L288-L496 HydrophobicContact CD2-CD2 4.07Å; I291-L496 HydrophobicContact CD1-CD2 3.71Å; L492-L496 HydrophobicContact CD1-CD1 4.06Å; L492-L496 HydrophobicContact CD1-CG 4.16Å; L492-L496 HydrophobicContact CG-CD1 4.03Å; L492-L496 WeakPolarHBondContact O-CB 3.44Å; L492-L496 VanDerWaalsContact O-CG 3.29Å; L492-L496 WeakPolarHBondContact O-CG 3.21Å; L492-L496 PolarHBondContact O-N 2.75Å; E493-L496 PolarHBondContact O-N 3.39Å; L496-L500 HydrophobicContact CB-CD1 4.42Å; L496-L500 HydrophobicContact CD2-CD1 3.77Å; L496-L500 HydrophobicContact CD2-CG 4.4Å; L496-L500 WeakPolarHBondContact O-CA 3.29Å; L496-L500 WeakPolarHBondContact O-CB 3.45Å; L496-L500 WeakPolarHBondContact O-CG 3.39Å; L496-L500 PolarHBondContact O-N 3Å
497	N	83.9	Confident	88.6	Confident	83 Å²	83	56.4 Å²	56.4	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-63.2	-44.7	177.1	-179.4	76.2	0	0	0	112	E493 Y495 I501 V502	E493-N497 WeakPolarHBondContact O-CB 3.42Å; E493-N497 PolarHBondContact O-N 2.86Å; Y495-N497 PolarHBondContact O-N 3.01Å; N497-I501 VanDerWaalsContact O-CB 3.31Å; N497-I501 WeakPolarHBondContact O-CB 3.29Å; N497-I501 PolarHBondContact O-N 3.18Å; N497-I501 VanDerWaalsContact O-N 3.1Å; N497-V502 PolarHBondContact O-N 3.5Å; N497-V502 VanDerWaalsContact O-N 3.14Å
498	E	88.1	Confident	89.1	Confident	66 Å²	66	52.1 Å²	52.1	31%	0.308	25%	0.246	S	C	.	.	I	π-helix	trans	-60.2	-49.6	177.3	177.4	67.2	-171.5	0	0	111.6	K494 Y495 V502 R503	K494-E498 WeakPolarHBondContact O-CB 3.49Å; K494-E498 PolarHBondContact O-N 3.45Å; Y495-E498 PolarHBondContact O-N 2Å; E498-V502 WeakPolarHBondContact O-CB 3.29Å; E498-V502 PolarHBondContact O-N 2.98Å; E498-R503 HydrophobicContact CG-CG 4.47Å; E498-R503 WeakPolarHBondContact O-CG 3.26Å; E498-R503 PolarHBondContact O-N 3.49Å; E498-R503 IonicContact OE1-CZ 3.8Å; E498-R503 IonicContact OE1-NE 2.73Å; E498-R503 PolarHBondContact OE1-NE 3.13Å; E498-R503 IonicContact OE1-NH2 3.4Å; E498-R503 PolarHBondContact OE1-NH2 3.38Å
499	E	89.6	Confident	89.5	Confident	26 Å²	26	50.4 Å²	50.4	12%	0.121	24%	0.236	C	C	.	.	I	π-helix	trans	-79.8	-42.3	-173.8	-69.8	-62.8	148.8	0	0	113.8	P287 Y495 R503	P287-E499 HydrophobicContact CB-CB 3.88Å; P287-E499 HydrophobicContact CB-CG 4.47Å; P287-E499 HydrophobicContact CG-CB 4.39Å; Y495-E499 HydrophobicContact CD1-CG 4.43Å; Y495-E499 HydrophobicContact CD2-CG 4.2Å; Y495-E499 HydrophobicContact CE1-CG 3.97Å; Y495-E499 HydrophobicContact CE2-CG 3.75Å; Y495-E499 WeakPolarHBondContact O-CB 3.4Å; Y495-E499 PolarHBondContact O-N 3.26Å; E499-R503 WeakPolarHBondContact OE1-CD 3.42Å; E499-R503 IonicContact OE1-CZ 2.74Å; E499-R503 IonicContact OE1-NE 2.96Å; E499-R503 IonicContact OE1-NH1 3.2Å; E499-R503 PolarHBondContact OE1-NH1 3.22Å
500	L	86.9	Confident	90.2	Very high	41 Å²	41	56.4 Å²	56.4	22%	0.215	26%	0.257	C	S	.	.	I	π-helix	trans	-89.6	-19.3	-172.7	-56.4	-177.2	0	0	0	113.3	P287 L288 L496 R504 H534	P287-L500 HydrophobicContact CB-CD2 3.73Å; P287-L500 HydrophobicContact CG-CD2 4.35Å; L288-L500 HydrophobicContact CD2-CD1 4.16Å; L496-L500 HydrophobicContact CB-CD1 4.42Å; L496-L500 HydrophobicContact CD2-CD1 3.77Å; L496-L500 HydrophobicContact CD2-CG 4.4Å; L496-L500 WeakPolarHBondContact O-CA 3.29Å; L496-L500 WeakPolarHBondContact O-CB 3.45Å; L496-L500 WeakPolarHBondContact O-CG 3.39Å; L496-L500 PolarHBondContact O-N 3Å; L500-R504 WeakPolarHBondContact O-CB 3.5Å; L500-R504 WeakPolarHBondContact O-CD 3.34Å; L500-H534 PolarHBondContact O-CE1 3.32Å
501	I	85.5	Confident	90.9	Very high	44 Å²	44	57.8 Å²	57.8	23%	0.226	26%	0.263	C	S	.	.	I	π-helix	trans	-112.9	-65.2	176.4	-55.5	-62.5	0	0	0	110.1	N497 N505 A533	N497-I501 VanDerWaalsContact O-CB 3.31Å; N497-I501 WeakPolarHBondContact O-CB 3.29Å; N497-I501 PolarHBondContact O-N 3.18Å; N497-I501 VanDerWaalsContact O-N 3.1Å; I501-N505 WeakPolarHBondContact O-CB 3.4Å; I501-N505 PolarHBondContact O-N 3.02Å; I501-N505 PolarHBondContact O-ND2 2.97Å; I501-N505 PolarHBondContact O-OD1 3.44Å; I501-A533 HydrophobicContact CD1-CB 3.96Å
502	V	89.1	Confident	91.4	Very high	38 Å²	38	54.7 Å²	54.7	23%	0.23	25%	0.246	C	C	.	.	I	π-helix	trans	-65.2	-60.8	-168.1	-179.1	0	0	0	0	111.9	N497 E498 R504 N505 E506 E540	N497-V502 PolarHBondContact O-N 3.5Å; N497-V502 VanDerWaalsContact O-N 3.14Å; E498-V502 WeakPolarHBondContact O-CB 3.29Å; E498-V502 PolarHBondContact O-N 2.98Å; V502-R504 VanDerWaalsContact C-N 3.27Å; V502-R504 PolarHBondContact O-N 3.13Å; V502-N505 PolarHBondContact O-N 2.94Å; V502-E506 PolarHBondContact O-N 3.39Å; V502-E540 HydrophobicContact CG1-CB 4.1Å; V502-E540 HydrophobicContact CG1-CG 4.3Å
503	R	94.5	Very high	92	Very high	107 Å²	107	55.4 Å²	55.4	40%	0.404	25%	0.25	S	C	.	.	H	α-helix	trans	-67.3	-31.5	-178.6	-66.2	-178.8	-176.2	178.3	-1.3	112.4	E498 E499 E506 R507	E498-R503 HydrophobicContact CG-CG 4.47Å; E498-R503 WeakPolarHBondContact O-CG 3.26Å; E498-R503 PolarHBondContact O-N 3.49Å; E498-R503 IonicContact OE1-CZ 3.8Å; E498-R503 IonicContact OE1-NE 2.73Å; E498-R503 PolarHBondContact OE1-NE 3.13Å; E498-R503 IonicContact OE1-NH2 3.4Å; E498-R503 PolarHBondContact OE1-NH2 3.38Å; E499-R503 WeakPolarHBondContact OE1-CD 3.42Å; E499-R503 IonicContact OE1-CZ 2.74Å; E499-R503 IonicContact OE1-NE 2.96Å; E499-R503 IonicContact OE1-NH1 3.2Å; E499-R503 PolarHBondContact OE1-NH1 3.22Å; R503-E506 PolarHBondContact O-N 3.37Å; R503-R507 WeakPolarHBondContact O-CG 3.38Å; R503-R507 PolarHBondContact O-N 3.43Å; R503-R507 PolarHBondContact O-NH1 3.43Å
504	R	93	Very high	92.9	Very high	20 Å²	20	55 Å²	55	8%	0.075	25%	0.253	C	S	.	.	H	α-helix	trans	-69.1	-41.5	177.4	-159.8	173.4	165.8	-145.4	-18.1	111.5	E162 E279 L500 V502 E506 R507 M508	E162-R504 IonicContact OE1-NH2 2.71Å; E162-R504 IonicContact OE2-CZ 3.4Å; E162-R504 IonicContact OE2-NH2 3.61Å; E162-R504 PolarHBondContact OE2-NH2 3.01Å; E279-R504 WeakPolarHBondContact OE1-CD 3.26Å; E279-R504 WeakPolarHBondContact OE1-CG 3.17Å; E279-R504 IonicContact OE1-CZ 3.22Å; E279-R504 IonicContact OE1-NE 2.69Å; E279-R504 PolarHBondContact OE1-NE 3.36Å; E279-R504 IonicContact OE1-NH2 2.99Å; E279-R504 IonicContact OE2-CZ 3.8Å; E279-R504 IonicContact OE2-NE 2.85Å; E279-R504 PolarHBondContact OE2-NE 3.22Å; E279-R504 IonicContact OE2-NH2 3.38Å; E279-R504 PolarHBondContact OE2-NH2 3.48Å; L500-R504 WeakPolarHBondContact O-CB 3.5Å; L500-R504 WeakPolarHBondContact O-CD 3.34Å; V502-R504 VanDerWaalsContact C-N 3.27Å; V502-R504 PolarHBondContact O-N 3.13Å; R504-E506 VanDerWaalsContact C-N 3.32Å; R504-E506 PolarHBondContact O-N 3.49Å; R504-R507 PolarHBondContact O-N 3.28Å; R504-M508 HydrophobicContact CG-CE 4.05Å; R504-M508 WeakPolarHBondContact O-CB 3.37Å; R504-M508 WeakPolarHBondContact O-CG 2.96Å; R504-M508 PolarHBondContact O-N 3.46Å
505	N	96.4	Very high	93.5	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.011	24%	0.239	C	C	.	.	H	α-helix	trans	-58.7	-43	173.1	-74.3	-13.1	0	0	0	111.9	I501 V502 A509 H534 E540 I542	I501-N505 WeakPolarHBondContact O-CB 3.4Å; I501-N505 PolarHBondContact O-N 3.02Å; I501-N505 PolarHBondContact O-ND2 2.97Å; I501-N505 PolarHBondContact O-OD1 3.44Å; V502-N505 PolarHBondContact O-N 2.94Å; N505-A509 WeakPolarHBondContact O-CB 3.42Å; N505-A509 PolarHBondContact O-N 2.96Å; N505-H534 WeakPolarHBondContact OD1-CB 3.43Å; N505-H534 PolarHBondContact OD1-ND1 3.23Å; N505-E540 WeakPolarHBondContact CB-O 3.48Å; N505-E540 PolarHBondContact ND2-O 2.92Å; N505-I542 HydrophobicContact CB-CG1 4.15Å
506	E	97.2	Very high	94	Very high	122 Å²	122	49.1 Å²	49.1	57%	0.57	23%	0.229	S	C	*	.	H	α-helix	trans	-60.6	-50.4	177.6	-174.5	-178.3	-165.3	0	0	111.5	V502 R503 R504 A509 Y510	V502-E506 PolarHBondContact O-N 3.39Å; R503-E506 PolarHBondContact O-N 3.37Å; R504-E506 VanDerWaalsContact C-N 3.32Å; R504-E506 PolarHBondContact O-N 3.49Å; E506-A509 PolarHBondContact O-N 3.39Å; E506-Y510 PolarHBondContact O-N 3.31Å; E506-Y510 VanDerWaalsContact O-N 3.12Å
507	R	97.3	Very high	94.6	Very high	83 Å²	83	52.9 Å²	52.9	31%	0.313	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-48.1	178.4	-68.8	-166.7	-60.3	-79.1	2.6	112	D283 R503 R504 A509 Y510 E511	D283-R507 IonicContact OD1-NE 3.78Å; D283-R507 PolarHBondContact OD1-NE 3.36Å; R503-R507 WeakPolarHBondContact O-CG 3.38Å; R503-R507 PolarHBondContact O-N 3.43Å; R503-R507 PolarHBondContact O-NH1 3.43Å; R504-R507 PolarHBondContact O-N 3.28Å; R507-A509 PolarHBondContact O-N 2.86Å; R507-Y510 PolarHBondContact O-N 2.95Å; R507-E511 PolarHBondContact O-N 3.21Å
508	M	98.2	Very high	95.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-42.4	177.6	-76.6	-159.7	-77.7	0	0	111.8	E162 V278 E279 R504 Y510 E511 I512 L530 H534 I542	E162-M508 HydrophobicContact CG-SD 4.26Å; V278-M508 HydrophobicContact CG2-CB 4.41Å; V278-M508 HydrophobicContact CG2-CG 3.97Å; V278-M508 HydrophobicContact CG2-SD 3.84Å; E279-M508 HydrophobicContact CG-CG 3.54Å; E279-M508 HydrophobicContact CG-SD 3.95Å; E279-M508 WeakPolarHBondContact OE1-CG 2.81Å; R504-M508 HydrophobicContact CG-CE 4.05Å; R504-M508 WeakPolarHBondContact O-CB 3.37Å; R504-M508 WeakPolarHBondContact O-CG 2.96Å; R504-M508 PolarHBondContact O-N 3.46Å; M508-Y510 VanDerWaalsContact C-N 3.31Å; M508-Y510 PolarHBondContact O-N 3.01Å; M508-E511 PolarHBondContact O-N 3.1Å; M508-I512 HydrophobicContact CB-CD1 4.38Å; M508-I512 WeakPolarHBondContact O-CB 3.4Å; M508-I512 WeakPolarHBondContact O-CD1 3.16Å; M508-I512 WeakPolarHBondContact O-CG1 3.31Å; M508-I512 PolarHBondContact O-N 3.49Å; M508-L530 HydrophobicContact SD-CD1 4.38Å; M508-L530 HydrophobicContact SD-CD2 4.38Å; M508-H534 HydrophobicContact CE-CB 4.28Å; M508-H534 WeakPolarHBondContact CE-CE1 3.43Å; M508-H534 VanDerWaalsContact CE-ND1 3.34Å; M508-H534 WeakPolarHBondContact CE-ND1 3.31Å; M508-I542 HydrophobicContact CB-CD1 4.21Å; M508-I542 HydrophobicContact CE-CD1 3.82Å; M508-I542 HydrophobicContact SD-CD1 4.33Å
509	A	98.5	Very high	95.7	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-41.4	178.5	0	0	0	0	0	111.8	N505 E506 R507 E511 I512 I513 H545	N505-A509 WeakPolarHBondContact O-CB 3.42Å; N505-A509 PolarHBondContact O-N 2.96Å; E506-A509 PolarHBondContact O-N 3.39Å; R507-A509 PolarHBondContact O-N 2.86Å; A509-E511 PolarHBondContact O-N 2.96Å; A509-I512 PolarHBondContact O-N 3.05Å; A509-I513 WeakPolarHBondContact O-CD1 3.33Å; A509-I513 WeakPolarHBondContact O-CG1 3.41Å; A509-I513 PolarHBondContact O-N 3.32Å; A509-H545 HydrophobicContact CB-CB 3.41Å; A509-H545 VanDerWaalsContact CB-CB 3.41Å
510	Y	98.3	Very high	96	Very high	162 Å²	162	51.8 Å²	51.8	64%	0.635	24%	0.237	S	C	*	.	H	α-helix	trans	-59.5	-45.3	174.6	179	-92.2	0	0	0	112.4	E506 R507 M508 S514	E506-Y510 PolarHBondContact O-N 3.31Å; E506-Y510 VanDerWaalsContact O-N 3.12Å; R507-Y510 PolarHBondContact O-N 2.95Å; M508-Y510 VanDerWaalsContact C-N 3.31Å; M508-Y510 PolarHBondContact O-N 3.01Å; Y510-S514 PolarHBondContact O-N 3.41Å; Y510-S514 PolarHBondContact O-OG 2.86Å; Y510-S514 VanDerWaalsContact O-OG 3.11Å
511	E	98.6	Very high	96.5	Very high	62 Å²	62	54.1 Å²	54.1	29%	0.29	26%	0.257	S	S	.	.	H	α-helix	trans	-68.2	-41.9	176.4	-87.2	-60.4	146.5	0	0	112.5	V278 R507 M508 A509 I513 S514 K515	V278-E511 HydrophobicContact CB-CB 4.28Å; V278-E511 WeakPolarHBondContact O-CB 3.45Å; R507-E511 PolarHBondContact O-N 3.21Å; M508-E511 PolarHBondContact O-N 3.1Å; A509-E511 PolarHBondContact O-N 2.96Å; E511-I513 VanDerWaalsContact C-N 3.31Å; E511-I513 PolarHBondContact O-N 3Å; E511-S514 CarbonylContact O-C 3.47Å; E511-S514 WeakPolarHBondContact O-CA 3.4Å; E511-S514 WeakPolarHBondContact O-CB 3.4Å; E511-S514 PolarHBondContact O-N 2.96Å; E511-K515 WeakPolarHBondContact O-CG 3.28Å; E511-K515 PolarHBondContact O-N 3.32Å; E511-K515 VanDerWaalsContact OE2-CE 3.32Å; E511-K515 WeakPolarHBondContact OE2-CE 3.37Å; E511-K515 IonicContact OE2-NZ 3.32Å; E511-K515 PolarHBondContact OE2-NZ 3.32Å
512	I	98.8	Very high	97.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.1	-46.6	175.8	-69.5	162	0	0	0	110.1	V278 M508 A509 S514 K515 L516 F528 L530 I542 L546	V278-I512 HydrophobicContact CB-CG1 4.5Å; V278-I512 HydrophobicContact CG1-CG1 4.02Å; M508-I512 HydrophobicContact CB-CD1 4.38Å; M508-I512 WeakPolarHBondContact O-CB 3.4Å; M508-I512 WeakPolarHBondContact O-CD1 3.16Å; M508-I512 WeakPolarHBondContact O-CG1 3.31Å; M508-I512 PolarHBondContact O-N 3.49Å; A509-I512 PolarHBondContact O-N 3.05Å; I512-S514 VanDerWaalsContact C-N 3.27Å; I512-S514 PolarHBondContact O-N 3.18Å; I512-K515 PolarHBondContact O-N 3.43Å; I512-L516 HydrophobicContact CG2-CD1 3.85Å; I512-L516 HydrophobicContact CG2-CG 4.15Å; I512-L516 WeakPolarHBondContact O-CB 3.43Å; I512-L516 VanDerWaalsContact O-CG 3.24Å; I512-L516 WeakPolarHBondContact O-CG 3.4Å; I512-L516 PolarHBondContact O-N 3.1Å; I512-F528 HydrophobicContact CB-CE1 4.19Å; I512-F528 HydrophobicContact CG1-CD1 3.86Å; I512-F528 HydrophobicContact CG1-CE1 3.94Å; I512-F528 HydrophobicContact CG2-CD1 4.27Å; I512-F528 HydrophobicContact CG2-CE1 3.95Å; I512-F528 HydrophobicContact CG2-CE2 4.24Å; I512-F528 HydrophobicContact CG2-CZ 3.93Å; I512-L530 HydrophobicContact CD1-CD1 3.66Å; I512-I542 HydrophobicContact CD1-CD1 4.09Å; I512-I542 HydrophobicContact CD1-CG2 3.72Å; I512-L546 HydrophobicContact CB-CD2 4.39Å; I512-L546 HydrophobicContact CG2-CD1 4.07Å; I512-L546 HydrophobicContact CG2-CD2 3.91Å
513	I	98.7	Very high	97.5	Very high	29 Å²	29	60.2 Å²	60.2	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-42.7	176.2	-67.1	163.5	0	0	0	110.9	A509 E511 L516 K517 L546 A549 Y551	A509-I513 WeakPolarHBondContact O-CD1 3.33Å; A509-I513 WeakPolarHBondContact O-CG1 3.41Å; A509-I513 PolarHBondContact O-N 3.32Å; E511-I513 VanDerWaalsContact C-N 3.31Å; E511-I513 PolarHBondContact O-N 3Å; I513-L516 PolarHBondContact O-N 3.37Å; I513-K517 HydrophobicContact CG2-CD 4.32Å; I513-K517 WeakPolarHBondContact O-CG 3.33Å; I513-K517 PolarHBondContact O-N 2.99Å; I513-L546 HydrophobicContact CD1-CD2 4.14Å; I513-L546 HydrophobicContact CG1-CD2 3.51Å; I513-A549 HydrophobicContact CD1-CB 3.51Å; I513-A549 HydrophobicContact CG1-CB 4.3Å; I513-Y551 HydrophobicContact CB-CE2 4.48Å; I513-Y551 HydrophobicContact CG1-CE2 3.93Å; I513-Y551 HydrophobicContact CG2-CE2 4.21Å
514	S	98.5	Very high	97.7	Very high	45 Å²	45	57.2 Å²	57.2	32%	0.315	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-42.1	178.2	-60.2	0	0	0	0	111.9	Y510 E511 I512 L518	Y510-S514 PolarHBondContact O-N 3.41Å; Y510-S514 PolarHBondContact O-OG 2.86Å; Y510-S514 VanDerWaalsContact O-OG 3.11Å; E511-S514 CarbonylContact O-C 3.47Å; E511-S514 WeakPolarHBondContact O-CA 3.4Å; E511-S514 WeakPolarHBondContact O-CB 3.4Å; E511-S514 PolarHBondContact O-N 2.96Å; I512-S514 VanDerWaalsContact C-N 3.27Å; I512-S514 PolarHBondContact O-N 3.18Å; S514-L518 PolarHBondContact O-N 3.47Å; S514-L518 VanDerWaalsContact O-N 3.16Å
515	K	98.5	Very high	98	Very high	50 Å²	50	56.6 Å²	56.6	22%	0.217	28%	0.277	C	S	.	.	H	α-helix	trans	-67.4	-38.8	175.3	-58.5	-41.4	-179.9	-150.8	0	112.5	Y160 E511 I512 L518 A519 F528	Y160-K515 HydrophobicContact CD1-CG 4.2Å; Y160-K515 HydrophobicContact CD2-CB 4.19Å; Y160-K515 HydrophobicContact CD2-CG 4.36Å; Y160-K515 HydrophobicContact CE1-CB 4.46Å; Y160-K515 HydrophobicContact CE1-CD 3.88Å; Y160-K515 HydrophobicContact CE1-CG 3.94Å; Y160-K515 HydrophobicContact CE2-CB 3.73Å; Y160-K515 HydrophobicContact CE2-CG 4.09Å; Y160-K515 HydrophobicContact CG-CG 4.41Å; E511-K515 WeakPolarHBondContact O-CG 3.28Å; E511-K515 PolarHBondContact O-N 3.32Å; E511-K515 VanDerWaalsContact OE2-CE 3.32Å; E511-K515 WeakPolarHBondContact OE2-CE 3.37Å; E511-K515 IonicContact OE2-NZ 3.32Å; E511-K515 PolarHBondContact OE2-NZ 3.32Å; I512-K515 PolarHBondContact O-N 3.43Å; K515-L518 WeakPolarHBondContact O-CB 3.34Å; K515-L518 PolarHBondContact O-N 3.14Å; K515-A519 WeakPolarHBondContact O-CB 3.37Å; K515-A519 PolarHBondContact O-N 2.96Å; K515-F528 HydrophobicContact CB-CE1 3.91Å; K515-F528 HydrophobicContact CB-CZ 3.88Å; K515-F528 HydrophobicContact CG-CE1 4.27Å
516	L	98.6	Very high	98.1	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-48.3	176.4	-74.2	173.3	0	0	0	111.2	I122 T124 I512 I513 L518 A519 E520 F528 Y551	I122-L516 HydrophobicContact CD1-CD1 4.02Å; I122-L516 HydrophobicContact CD1-CD2 3.97Å; I122-L516 HydrophobicContact CG2-CD1 4.36Å; T124-L516 HydrophobicContact CG2-CD2 4.15Å; I512-L516 HydrophobicContact CG2-CD1 3.85Å; I512-L516 HydrophobicContact CG2-CG 4.15Å; I512-L516 WeakPolarHBondContact O-CB 3.43Å; I512-L516 VanDerWaalsContact O-CG 3.24Å; I512-L516 WeakPolarHBondContact O-CG 3.4Å; I512-L516 PolarHBondContact O-N 3.1Å; I513-L516 PolarHBondContact O-N 3.37Å; L516-L518 VanDerWaalsContact C-N 3.29Å; L516-L518 PolarHBondContact O-N 3.17Å; L516-A519 PolarHBondContact O-N 3.31Å; L516-E520 WeakPolarHBondContact O-CG 3.44Å; L516-E520 PolarHBondContact O-N 2.73Å; L516-F528 HydrophobicContact CD2-CE2 3.57Å; L516-F528 HydrophobicContact CD2-CZ 3.99Å; L516-F528 HydrophobicContact CG-CE2 4.06Å; L516-F528 HydrophobicContact CG-CZ 4.03Å; L516-Y551 HydrophobicContact CB-CE1 4.4Å; L516-Y551 HydrophobicContact CD1-CD1 4.22Å; L516-Y551 HydrophobicContact CD1-CE1 3.83Å; L516-Y551 HydrophobicContact CD1-CE2 4.21Å
517	K	98	Very high	98.2	Very high	128 Å²	128	50.7 Å²	50.7	56%	0.557	25%	0.25	S	S	*	.	H	α-helix	trans	-58.7	-41	176	-72.6	173	180	175.3	0	112.2	I513 S521	I513-K517 HydrophobicContact CG2-CD 4.32Å; I513-K517 WeakPolarHBondContact O-CG 3.33Å; I513-K517 PolarHBondContact O-N 2.99Å; K517-S521 WeakPolarHBondContact O-CB 3.4Å; K517-S521 PolarHBondContact O-N 3.41Å
518	L	97.4	Very high	98.2	Very high	83 Å²	83	46.8 Å²	46.8	44%	0.435	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-49.5	175.6	179.6	63.5	0	0	0	111.1	S514 K515 L516 E520 S521 L522	S514-L518 PolarHBondContact O-N 3.47Å; S514-L518 VanDerWaalsContact O-N 3.16Å; K515-L518 WeakPolarHBondContact O-CB 3.34Å; K515-L518 PolarHBondContact O-N 3.14Å; L516-L518 VanDerWaalsContact C-N 3.29Å; L516-L518 PolarHBondContact O-N 3.17Å; L518-E520 PolarHBondContact O-N 3.22Å; L518-S521 PolarHBondContact O-N 2.81Å; L518-S521 PolarHBondContact O-OG 3.05Å; L518-L522 HydrophobicContact CD1-CD1 4.28Å; L518-L522 HydrophobicContact CG-CD1 4.29Å; L518-L522 WeakPolarHBondContact O-CG 3.21Å; L518-L522 PolarHBondContact O-N 3.27Å; L518-L522 VanDerWaalsContact O-N 3.15Å
519	A	98	Very high	98.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.4	-44.4	178.7	0	0	0	0	0	111.8	I158 K515 L516 S521 L522 N523 Q524 A526	I158-A519 HydrophobicContact CD1-CB 4.16Å; K515-A519 WeakPolarHBondContact O-CB 3.37Å; K515-A519 PolarHBondContact O-N 2.96Å; L516-A519 PolarHBondContact O-N 3.31Å; A519-S521 PolarHBondContact O-N 3.21Å; A519-L522 CarbonylContact O-C 3.13Å; A519-L522 PolarHBondContact O-N 3.42Å; A519-L522 VanDerWaalsContact O-N 3.09Å; A519-N523 PolarHBondContact O-N 3.22Å; A519-N523 VanDerWaalsContact O-N 3.08Å; A519-Q524 CarbonylContact C-O 3.57Å; A519-Q524 WeakPolarHBondContact CB-O 3.18Å; A519-Q524 PolarHBondContact O-N 3.47Å; A519-A526 HydrophobicContact CB-CB 4.18Å
520	E	96.7	Very high	98.2	Very high	69 Å²	69	46.7 Å²	46.7	32%	0.322	24%	0.235	S	C	.	.	H	α-helix	trans	-62	-40.5	175.4	-71.9	-175.9	124.7	0	0	112.2	T124 K125 L516 L518 L522 N523	T124-E520 WeakPolarHBondContact CA-OE1 3.27Å; T124-E520 VanDerWaalsContact CB-OE1 3.28Å; T124-E520 WeakPolarHBondContact CB-OE1 3.5Å; T124-E520 HydrophobicContact CG2-CG 4.36Å; T124-E520 WeakPolarHBondContact CG2-OE1 3.08Å; K125-E520 PolarHBondContact N-OE1 3.47Å; L516-E520 WeakPolarHBondContact O-CG 3.44Å; L516-E520 PolarHBondContact O-N 2.73Å; L518-E520 PolarHBondContact O-N 3.22Å; E520-L522 PolarHBondContact O-N 3.49Å; E520-N523 PolarHBondContact O-N 3Å
521	S	97.6	Very high	98	Very high	90 Å²	90	39.8 Å²	39.8	63%	0.629	21%	0.212	S	C	*	.	H	α-helix	trans	-63.7	-24.2	175.9	78.3	0	0	0	0	113.5	K517 L518 A519	K517-S521 WeakPolarHBondContact O-CB 3.4Å; K517-S521 PolarHBondContact O-N 3.41Å; L518-S521 PolarHBondContact O-N 2.81Å; L518-S521 PolarHBondContact O-OG 3.05Å; A519-S521 PolarHBondContact O-N 3.21Å
522	L	97.8	Very high	97.8	Very high	88 Å²	88	37 Å²	37	46%	0.461	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	0.2	175.6	-61.7	174.6	0	0	0	112.6	L518 A519 E520 Q524	L518-L522 HydrophobicContact CD1-CD1 4.28Å; L518-L522 HydrophobicContact CG-CD1 4.29Å; L518-L522 WeakPolarHBondContact O-CG 3.21Å; L518-L522 PolarHBondContact O-N 3.27Å; L518-L522 VanDerWaalsContact O-N 3.15Å; A519-L522 CarbonylContact O-C 3.13Å; A519-L522 PolarHBondContact O-N 3.42Å; A519-L522 VanDerWaalsContact O-N 3.09Å; E520-L522 PolarHBondContact O-N 3.49Å; L522-Q524 HydrophobicContact CB-CB 4.28Å; L522-Q524 HydrophobicContact CB-CG 4.04Å; L522-Q524 PolarHBondContact O-N 3.39Å
523	N	98	Very high	97.2	Very high	122 Å²	122	39 Å²	39	65%	0.652	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	42.8	-170.8	-171.2	58	0	0	0	112.3	A519 E520	A519-N523 PolarHBondContact O-N 3.22Å; A519-N523 VanDerWaalsContact O-N 3.08Å; E520-N523 PolarHBondContact O-N 3Å
524	Q	98.4	Very high	97	Very high	43 Å²	43	38 Å²	38	20%	0.201	21%	0.211	C	C	.	.			trans	-118.4	151	-178.2	-75	-174.9	-45.3	0	0	110.9	P126 D157 I158 A519 L522	P126-Q524 WeakPolarHBondContact CG-O 3.22Å; D157-Q524 HydrophobicContact CB-CB 3.89Å; D157-Q524 HydrophobicContact CB-CG 3.99Å; I158-Q524 HydrophobicContact CD1-CB 4.15Å; I158-Q524 HydrophobicContact CG1-CB 4.46Å; A519-Q524 CarbonylContact C-O 3.57Å; A519-Q524 WeakPolarHBondContact CB-O 3.18Å; A519-Q524 PolarHBondContact O-N 3.47Å; L522-Q524 HydrophobicContact CB-CB 4.28Å; L522-Q524 HydrophobicContact CB-CG 4.04Å; L522-Q524 PolarHBondContact O-N 3.39Å
525	S	98.4	Very high	96.7	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.049	20%	0.199	C	C	.	.			trans	-95.9	138.4	176.1	55.7	0	0	0	0	110.5	T127 S156 D157 I158	T127-S525 WeakPolarHBondContact O-CB 3.25Å; S156-S525 WeakPolarHBondContact CA-OG 3.22Å; D157-S525 PolarHBondContact N-O 2.86Å; D157-S525 PolarHBondContact N-OG 3.28Å; D157-S525 PolarHBondContact OD2-N 3.01Å; D157-S525 PolarHBondContact OD2-OG 2.71Å; I158-S525 PolarHBondContact N-O 2.93Å
526	A	98.7	Very high	95.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143.6	178.3	0	0	0	0	0	111.5	S128 F129 I158 Y160 A519 F528	S128-A526 CarbonylContact C-O 3.54Å; S128-A526 WeakPolarHBondContact CA-O 3.36Å; S128-A526 WeakPolarHBondContact CB-O 3.38Å; S128-A526 PolarHBondContact OG-N 2.76Å; S128-A526 VanDerWaalsContact OG-N 3.11Å; F129-A526 PolarHBondContact N-O 3.07Å; I158-A526 CarbonylContact O-C 3.55Å; I158-A526 WeakPolarHBondContact O-CA 3.27Å; Y160-A526 HydrophobicContact CD2-CB 4.33Å; Y160-A526 HydrophobicContact CE2-CB 4.26Å; A519-A526 HydrophobicContact CB-CB 4.18Å; A526-F528 HydrophobicContact CB-CD2 4.33Å; A526-F528 HydrophobicContact CB-CE2 3.52Å; A526-F528 HydrophobicContact CB-CZ 3.92Å
527	F	98.8	Very high	95	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.4	171.1	-170.5	-80.1	0	0	0	108.9	L119 F129 F131 V149 F153 I158 V159 Y160 A529	L119-F527 HydrophobicContact CD1-CE2 4.04Å; L119-F527 HydrophobicContact CD1-CZ 4.38Å; F129-F527 HydrophobicContact CB-CD2 3.72Å; F129-F527 HydrophobicContact CB-CE2 4.11Å; F129-F527 HydrophobicContact CB-CG 4.45Å; F129-F527 HydrophobicContact CD2-CD2 4.44Å; F129-F527 HydrophobicContact CG-CD2 4.3Å; F131-F527 HydrophobicContact CB-CE1 3.57Å; F131-F527 HydrophobicContact CB-CE2 4.3Å; F131-F527 HydrophobicContact CB-CZ 3.36Å; F131-F527 HydrophobicContact CD1-CE1 4.09Å; F131-F527 HydrophobicContact CD1-CZ 4.05Å; F131-F527 HydrophobicContact CG-CE1 4.18Å; F131-F527 AromaticContact CG-CZ 3.84Å; F131-F527 HydrophobicContact CG-CZ 3.84Å; V149-F527 HydrophobicContact CG1-CZ 4.22Å; F153-F527 HydrophobicContact CB-CD2 4.16Å; F153-F527 HydrophobicContact CB-CE2 3.87Å; F153-F527 HydrophobicContact CB-CZ 4.05Å; F153-F527 AromaticContact CD2-CD1 3.94Å; F153-F527 HydrophobicContact CD2-CD1 3.94Å; F153-F527 AromaticContact CD2-CE1 3.93Å; F153-F527 HydrophobicContact CD2-CE1 3.93Å; F153-F527 HydrophobicContact CD2-CG 4.31Å; F153-F527 HydrophobicContact CD2-CZ 4.3Å; I158-F527 PolarHBondContact O-N 2.98Å; V159-F527 CarbonylContact C-O 3.46Å; V159-F527 VanDerWaalsContact CA-O 3.28Å; V159-F527 WeakPolarHBondContact CA-O 3.14Å; V159-F527 HydrophobicContact CG1-CB 4.49Å; V159-F527 HydrophobicContact CG1-CD1 4.2Å; V159-F527 HydrophobicContact CG2-CB 4.42Å; Y160-F527 PolarHBondContact N-O 3.13Å; F527-A529 HydrophobicContact CD1-CB 4.35Å; F527-A529 HydrophobicContact CE1-CB 4.06Å
528	F	98.8	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.9	178.6	-59.6	-97.6	0	0	0	109.3	F129 L130 F131 Y160 V278 I512 K515 L516 A526 L530	F129-F528 WeakPolarHBondContact O-CD2 3.4Å; F129-F528 PolarHBondContact O-N 2.69Å; L130-F528 CarbonylContact C-O 3.57Å; L130-F528 HydrophobicContact CD2-CB 3.78Å; L130-F528 HydrophobicContact CD2-CD2 3.97Å; L130-F528 HydrophobicContact CD2-CG 4.04Å; F131-F528 PolarHBondContact N-O 3.46Å; Y160-F528 HydrophobicContact CD2-CD1 4.05Å; Y160-F528 AromaticContact CD2-CE1 3.52Å; Y160-F528 HydrophobicContact CD2-CE1 3.52Å; Y160-F528 AromaticContact CD2-CZ 3.8Å; Y160-F528 HydrophobicContact CD2-CZ 3.8Å; Y160-F528 HydrophobicContact CE2-CE1 4.34Å; Y160-F528 HydrophobicContact CE2-CZ 4.34Å; Y160-F528 HydrophobicContact CG-CD1 4.16Å; Y160-F528 AromaticContact CG-CE1 3.9Å; Y160-F528 HydrophobicContact CG-CE1 3.9Å; Y160-F528 CarbonylContact O-C 3.54Å; Y160-F528 WeakPolarHBondContact O-CA 2.8Å; V278-F528 HydrophobicContact CG1-CD1 3.88Å; V278-F528 HydrophobicContact CG1-CE1 4.01Å; I512-F528 HydrophobicContact CB-CE1 4.19Å; I512-F528 HydrophobicContact CG1-CD1 3.86Å; I512-F528 HydrophobicContact CG1-CE1 3.94Å; I512-F528 HydrophobicContact CG2-CD1 4.27Å; I512-F528 HydrophobicContact CG2-CE1 3.95Å; I512-F528 HydrophobicContact CG2-CE2 4.24Å; I512-F528 HydrophobicContact CG2-CZ 3.93Å; K515-F528 HydrophobicContact CB-CE1 3.91Å; K515-F528 HydrophobicContact CB-CZ 3.88Å; K515-F528 HydrophobicContact CG-CE1 4.27Å; L516-F528 HydrophobicContact CD2-CE2 3.57Å; L516-F528 HydrophobicContact CD2-CZ 3.99Å; L516-F528 HydrophobicContact CG-CE2 4.06Å; L516-F528 HydrophobicContact CG-CZ 4.03Å; A526-F528 HydrophobicContact CB-CD2 4.33Å; A526-F528 HydrophobicContact CB-CE2 3.52Å; A526-F528 HydrophobicContact CB-CZ 3.92Å; F528-L530 HydrophobicContact CB-CD1 4.37Å; F528-L530 HydrophobicContact CB-CG 4.33Å
529	A	98.6	Very high	93.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	101.1	175.9	0	0	0	0	0	109	T133 Y160 F161 L264 F527	T133-A529 HydrophobicContact CG2-CB 3.88Å; Y160-A529 PolarHBondContact O-N 2.7Å; F161-A529 WeakPolarHBondContact CA-O 3.34Å; F161-A529 HydrophobicContact CD1-CB 3.71Å; F161-A529 HydrophobicContact CE1-CB 3.67Å; L264-A529 HydrophobicContact CD1-CB 4.17Å; F527-A529 HydrophobicContact CD1-CB 4.35Å; F527-A529 HydrophobicContact CE1-CB 4.06Å
530	L	97.7	Very high	92.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.8	-174.5	-47.1	173.1	0	0	0	109.3	F131 G132 T133 E162 V278 M508 I512 F528 A532 F535 I542	F131-L530 PolarHBondContact O-N 3.38Å; G132-L530 CarbonylContact C-O 3.47Å; G132-L530 VanDerWaalsContact CA-O 3.23Å; G132-L530 WeakPolarHBondContact CA-O 3.18Å; T133-L530 PolarHBondContact N-O 3.39Å; T133-L530 PolarHBondContact OG1-O 3.11Å; E162-L530 HydrophobicContact CG-CB 4.2Å; E162-L530 HydrophobicContact CG-CD2 3.68Å; V278-L530 HydrophobicContact CG2-CD2 3.65Å; M508-L530 HydrophobicContact SD-CD1 4.38Å; M508-L530 HydrophobicContact SD-CD2 4.38Å; I512-L530 HydrophobicContact CD1-CD1 3.66Å; F528-L530 HydrophobicContact CB-CD1 4.37Å; F528-L530 HydrophobicContact CB-CG 4.33Å; L530-A532 PolarHBondContact O-N 3.42Å; L530-F535 HydrophobicContact CB-CE2 4.08Å; L530-F535 HydrophobicContact CB-CZ 3.86Å; L530-F535 HydrophobicContact CD1-CZ 4.02Å; L530-F535 HydrophobicContact CG-CZ 4.27Å; L530-I542 HydrophobicContact CD1-CD1 3.58Å
531	G	94.3	Very high	92.8	Very high	16 Å²	16	36.7 Å²	36.7	17%	0.165	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	133.8	-179.1	0	0	0	0	0	112.4	E162 A533 H534	E162-G531 WeakPolarHBondContact OE1-CA 3.42Å; E162-G531 PolarHBondContact OE1-N 3.45Å; G531-A533 PolarHBondContact O-N 3.46Å; G531-H534 WeakPolarHBondContact O-CB 3.31Å; G531-H534 PolarHBondContact O-CD2 2.89Å; G531-H534 PolarHBondContact O-N 3.2Å
532	A	92.6	Very high	92.8	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.033	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-56.2	-30.3	-174.3	0	0	0	0	0	113.6	F118 T133 Y385 L390 L530 H534 F535 I536	F118-A532 HydrophobicContact CD1-CB 4.44Å; T133-A532 WeakPolarHBondContact O-CB 3.34Å; T133-A532 PolarHBondContact O-N 3.42Å; Y385-A532 HydrophobicContact CE2-CB 4.31Å; L390-A532 HydrophobicContact CD1-CB 3.78Å; L530-A532 PolarHBondContact O-N 3.42Å; A532-H534 PolarHBondContact O-N 3.15Å; A532-F535 PolarHBondContact O-N 3.35Å; A532-I536 HydrophobicContact CB-CD1 4.49Å; A532-I536 WeakPolarHBondContact O-CD1 3.46Å; A532-I536 WeakPolarHBondContact O-CG1 3.34Å
533	A	87.5	Confident	92.7	Very high	43 Å²	43	28.7 Å²	28.7	36%	0.355	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-59.1	-26.8	177.4	0	0	0	0	0	113.4	I501 G531 F535 I536	I501-A533 HydrophobicContact CD1-CB 3.96Å; G531-A533 PolarHBondContact O-N 3.46Å; A533-F535 PolarHBondContact O-N 3.29Å; A533-I536 PolarHBondContact O-N 3.44Å
534	H	93.4	Very high	92.6	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.028	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-73.3	-11.1	-179.5	-65	-64.8	0	0	0	114.2	E162 L500 N505 M508 G531 A532 I542	E162-H534 IonicContact OE1-CD2 3.8Å; E162-H534 PolarHBondContact OE1-CD2 3.18Å; E162-H534 VanDerWaalsContact OE1-CD2 3.29Å; E162-H534 IonicContact OE1-NE2 2.95Å; E162-H534 PolarHBondContact OE1-NE2 2.76Å; L500-H534 PolarHBondContact O-CE1 3.32Å; N505-H534 WeakPolarHBondContact OD1-CB 3.43Å; N505-H534 PolarHBondContact OD1-ND1 3.23Å; M508-H534 HydrophobicContact CE-CB 4.28Å; M508-H534 WeakPolarHBondContact CE-CE1 3.43Å; M508-H534 VanDerWaalsContact CE-ND1 3.34Å; M508-H534 WeakPolarHBondContact CE-ND1 3.31Å; G531-H534 WeakPolarHBondContact O-CB 3.31Å; G531-H534 PolarHBondContact O-CD2 2.89Å; G531-H534 PolarHBondContact O-N 3.2Å; A532-H534 PolarHBondContact O-N 3.15Å; H534-I542 HydrophobicContact CB-CD1 3.62Å; H534-I542 HydrophobicContact CB-CG1 4.09Å; H534-I542 PolarHBondContact O-N 3.07Å
535	F	92.1	Very high	92.6	Very high	11 Å²	11	23.8 Å²	23.8	5%	0.048	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-109.8	-6.7	-178.5	-54.4	-61.8	0	0	0	113.7	W120 L130 L530 A532 A533 I542 I543	W120-F535 HydrophobicContact CE3-CB 4.49Å; W120-F535 HydrophobicContact CE3-CD1 4.48Å; W120-F535 HydrophobicContact CE3-CD2 4.38Å; W120-F535 HydrophobicContact CE3-CG 4.2Å; W120-F535 HydrophobicContact CH2-CB 3.41Å; W120-F535 VanDerWaalsContact CH2-CB 3.41Å; W120-F535 HydrophobicContact CH2-CD2 4.01Å; W120-F535 AromaticContact CH2-CG 3.84Å; W120-F535 HydrophobicContact CH2-CG 3.84Å; W120-F535 HydrophobicContact CZ2-CB 3.87Å; W120-F535 HydrophobicContact CZ3-CB 3.75Å; W120-F535 HydrophobicContact CZ3-CD1 4.32Å; W120-F535 AromaticContact CZ3-CD2 3.57Å; W120-F535 HydrophobicContact CZ3-CD2 3.57Å; W120-F535 HydrophobicContact CZ3-CE2 4.23Å; W120-F535 AromaticContact CZ3-CG 3.61Å; W120-F535 HydrophobicContact CZ3-CG 3.61Å; L130-F535 HydrophobicContact CB-CE1 3.89Å; L130-F535 HydrophobicContact CB-CZ 4Å; L130-F535 HydrophobicContact CD1-CE1 4.01Å; L130-F535 HydrophobicContact CD2-CE1 4.41Å; L130-F535 HydrophobicContact CG-CE1 4.31Å; L530-F535 HydrophobicContact CB-CE2 4.08Å; L530-F535 HydrophobicContact CB-CZ 3.86Å; L530-F535 HydrophobicContact CD1-CZ 4.02Å; L530-F535 HydrophobicContact CG-CZ 4.27Å; A532-F535 PolarHBondContact O-N 3.35Å; A533-F535 PolarHBondContact O-N 3.29Å; F535-I542 HydrophobicContact CD1-CB 4.16Å; F535-I542 HydrophobicContact CD1-CG2 4.49Å; F535-I542 HydrophobicContact CE1-CB 4.06Å; F535-I542 HydrophobicContact CE1-CD1 4.18Å; F535-I542 HydrophobicContact CE1-CG2 4Å; F535-I543 HydrophobicContact CB-CD1 4.04Å; F535-I543 HydrophobicContact CD1-CD1 4.27Å; F535-I543 HydrophobicContact CD1-CG1 4.05Å
536	I	82.3	Confident	92.6	Very high	36 Å²	36	23.5 Å²	23.5	19%	0.185	16%	0.164	C	C	.	.	S	Bend	trans	-117.2	140.4	-171.7	-50.2	161.9	0	0	0	109.2	F118 L390 L394 A532 A533	F118-I536 HydrophobicContact CD1-CD1 4.46Å; F118-I536 HydrophobicContact CE1-CD1 4.09Å; L390-I536 HydrophobicContact CB-CD1 3.86Å; L390-I536 HydrophobicContact CD1-CD1 3.57Å; L390-I536 HydrophobicContact CG-CD1 4.33Å; L394-I536 HydrophobicContact CD1-CB 3.59Å; L394-I536 HydrophobicContact CD1-CD1 3.76Å; L394-I536 HydrophobicContact CD1-CG1 4.28Å; L394-I536 HydrophobicContact CD1-CG2 3.25Å; A532-I536 HydrophobicContact CB-CD1 4.49Å; A532-I536 WeakPolarHBondContact O-CD1 3.46Å; A532-I536 WeakPolarHBondContact O-CG1 3.34Å; A533-I536 PolarHBondContact O-N 3.44Å
537	G	80.2	Confident	92.5	Very high	63 Å²	63	29.2 Å²	29.2	65%	0.649	19%	0.186	S	C	*	.	S	Bend	trans	120.2	-162	-171.9	0	0	0	0	0	111.2
538	S	77	Confident	92.4	Very high	116 Å²	116	35.5 Å²	35.5	81%	0.811	21%	0.213	S	C	*	.	S	Bend	trans	-140.3	134.9	-177.5	59.4	0	0	0	0	112.3	E540	S538-E540 PolarHBondContact O-N 2.96Å
539	G	82.5	Confident	92.3	Very high	37 Å²	37	38 Å²	38	38%	0.381	23%	0.234	S	C	.	.	S	Bend	trans	100.6	-39.6	162.8	0	0	0	0	0	114.4	D544 K548	G539-D544 PolarHBondContact N-OD2 3.33Å; G539-K548 PolarHBondContact O-NZ 3.03Å; G539-K548 VanDerWaalsContact O-NZ 3.09Å
540	E	90.5	Very high	92.3	Very high	79 Å²	79	40.9 Å²	40.9	37%	0.369	26%	0.264	S	S	.	.	S	Bend	trans	-136.6	36.2	-175.2	-57.3	-54.8	143.8	0	0	112	V502 N505 S538 D544 H545 K548	V502-E540 HydrophobicContact CG1-CB 4.1Å; V502-E540 HydrophobicContact CG1-CG 4.3Å; N505-E540 WeakPolarHBondContact CB-O 3.48Å; N505-E540 PolarHBondContact ND2-O 2.92Å; S538-E540 PolarHBondContact O-N 2.96Å; E540-D544 PolarHBondContact N-OD2 3.35Å; E540-H545 IonicContact OE2-CE1 3.69Å; E540-H545 PolarHBondContact OE2-CE1 2.73Å; E540-H545 IonicContact OE2-ND1 2.88Å; E540-H545 IonicContact OE2-NE2 3.98Å; E540-H545 PolarHBondContact OE2-NE2 3.19Å; E540-K548 VanDerWaalsContact CD-NZ 3.26Å; E540-K548 IonicContact OE1-NZ 3.6Å; E540-K548 PolarHBondContact OE1-NZ 3.23Å; E540-K548 IonicContact OE2-NZ 3.88Å; E540-K548 PolarHBondContact OE2-NZ 3.01Å
541	T	94.1	Very high	92.3	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.049	27%	0.27	C	S	.	.	S	Bend	trans	-79.2	162.5	169.4	67.1	0	0	0	0	110.9	I543 D544 H545	T541-I543 PolarHBondContact O-N 3.17Å; T541-I543 PolarHBondContact OG1-N 3.1Å; T541-D544 PolarHBondContact N-OD2 3.25Å; T541-D544 VanDerWaalsContact N-OD2 3.15Å; T541-D544 WeakPolarHBondContact O-CB 3.38Å; T541-D544 PolarHBondContact O-N 3.49Å; T541-D544 PolarHBondContact OG1-N 3.11Å; T541-D544 VanDerWaalsContact OG1-N 3.17Å; T541-D544 PolarHBondContact OG1-OD2 3.14Å; T541-H545 PolarHBondContact O-CD2 3.36Å; T541-H545 PolarHBondContact O-N 3.15Å
542	I	96.7	Very high	92.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-53.7	-39	171.5	-70.1	-179.9	0	0	0	110.8	L130 N505 M508 I512 L530 H534 F535 D544 H545 L546	L130-I542 HydrophobicContact CD1-CG2 4.49Å; N505-I542 HydrophobicContact CB-CG1 4.15Å; M508-I542 HydrophobicContact CB-CD1 4.21Å; M508-I542 HydrophobicContact CE-CD1 3.82Å; M508-I542 HydrophobicContact SD-CD1 4.33Å; I512-I542 HydrophobicContact CD1-CD1 4.09Å; I512-I542 HydrophobicContact CD1-CG2 3.72Å; L530-I542 HydrophobicContact CD1-CD1 3.58Å; H534-I542 HydrophobicContact CB-CD1 3.62Å; H534-I542 HydrophobicContact CB-CG1 4.09Å; H534-I542 PolarHBondContact O-N 3.07Å; F535-I542 HydrophobicContact CD1-CB 4.16Å; F535-I542 HydrophobicContact CD1-CG2 4.49Å; F535-I542 HydrophobicContact CE1-CB 4.06Å; F535-I542 HydrophobicContact CE1-CD1 4.18Å; F535-I542 HydrophobicContact CE1-CG2 4Å; I542-D544 VanDerWaalsContact C-N 3.33Å; I542-D544 PolarHBondContact O-N 3.36Å; I542-H545 PolarHBondContact O-N 3.02Å; I542-L546 HydrophobicContact CG2-CD1 3.71Å; I542-L546 HydrophobicContact CG2-CG 4.18Å; I542-L546 WeakPolarHBondContact O-CB 3.45Å; I542-L546 VanDerWaalsContact O-CG 3.24Å; I542-L546 WeakPolarHBondContact O-CG 3.41Å; I542-L546 PolarHBondContact O-N 3.26Å
543	I	95.6	Very high	92.7	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.046	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-42.3	178.4	-63.6	171.1	0	0	0	110.8	W120 L130 F535 T541 R547 I553	W120-I543 HydrophobicContact CD2-CD1 3.95Å; W120-I543 HydrophobicContact CG-CD1 4.08Å; W120-I543 HydrophobicContact CZ2-CD1 4.04Å; L130-I543 HydrophobicContact CD1-CG1 4.49Å; F535-I543 HydrophobicContact CB-CD1 4.04Å; F535-I543 HydrophobicContact CD1-CD1 4.27Å; F535-I543 HydrophobicContact CD1-CG1 4.05Å; T541-I543 PolarHBondContact O-N 3.17Å; T541-I543 PolarHBondContact OG1-N 3.1Å; I543-R547 HydrophobicContact CG2-CG 4.46Å; I543-R547 WeakPolarHBondContact O-CB 3.37Å; I543-R547 VanDerWaalsContact O-CG 3.27Å; I543-R547 WeakPolarHBondContact O-CG 3.46Å; I543-R547 PolarHBondContact O-N 3.49Å; I543-I553 HydrophobicContact CG1-CG2 4.41Å; I543-I553 HydrophobicContact CG2-CB 4.29Å; I543-I553 HydrophobicContact CG2-CD1 4.21Å; I543-I553 HydrophobicContact CG2-CG2 4.09Å
544	D	96	Very high	93	Very high	35 Å²	35	49.6 Å²	49.6	19%	0.187	30%	0.295	C	S	.	.	H	α-helix	trans	-65.2	-46.2	179.3	-62.7	-44.5	0	0	0	111.1	G539 E540 T541 I542 L546 R547 K548	G539-D544 PolarHBondContact N-OD2 3.33Å; E540-D544 PolarHBondContact N-OD2 3.35Å; T541-D544 PolarHBondContact N-OD2 3.25Å; T541-D544 VanDerWaalsContact N-OD2 3.15Å; T541-D544 WeakPolarHBondContact O-CB 3.38Å; T541-D544 PolarHBondContact O-N 3.49Å; T541-D544 PolarHBondContact OG1-N 3.11Å; T541-D544 VanDerWaalsContact OG1-N 3.17Å; T541-D544 PolarHBondContact OG1-OD2 3.14Å; I542-D544 VanDerWaalsContact C-N 3.33Å; I542-D544 PolarHBondContact O-N 3.36Å; D544-L546 PolarHBondContact O-N 3.06Å; D544-R547 PolarHBondContact O-N 2.94Å; D544-K548 WeakPolarHBondContact O-CB 3.19Å; D544-K548 VanDerWaalsContact O-CG 3.26Å; D544-K548 WeakPolarHBondContact O-CG 3.48Å; D544-K548 PolarHBondContact O-N 3.39Å
545	H	98.1	Very high	93.1	Very high	28 Å²	28	52.5 Å²	52.5	13%	0.13	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-42.7	176.8	-71.5	-73.8	0	0	0	112.8	A509 E540 T541 I542 K548 A549	A509-H545 HydrophobicContact CB-CB 3.41Å; A509-H545 VanDerWaalsContact CB-CB 3.41Å; E540-H545 IonicContact OE2-CE1 3.69Å; E540-H545 PolarHBondContact OE2-CE1 2.73Å; E540-H545 IonicContact OE2-ND1 2.88Å; E540-H545 IonicContact OE2-NE2 3.98Å; E540-H545 PolarHBondContact OE2-NE2 3.19Å; T541-H545 PolarHBondContact O-CD2 3.36Å; T541-H545 PolarHBondContact O-N 3.15Å; I542-H545 PolarHBondContact O-N 3.02Å; H545-K548 WeakPolarHBondContact O-CB 3.38Å; H545-K548 PolarHBondContact O-N 3.05Å; H545-A549 PolarHBondContact O-N 3.3Å
546	L	98.3	Very high	93.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-68	-36.2	178.1	-68.1	176.4	0	0	0	112.3	L130 I512 I513 I542 D544 A549 G550 Y551 I553	L130-L546 HydrophobicContact CD1-CD1 3.8Å; L130-L546 HydrophobicContact CD2-CD1 4.36Å; I512-L546 HydrophobicContact CB-CD2 4.39Å; I512-L546 HydrophobicContact CG2-CD1 4.07Å; I512-L546 HydrophobicContact CG2-CD2 3.91Å; I513-L546 HydrophobicContact CD1-CD2 4.14Å; I513-L546 HydrophobicContact CG1-CD2 3.51Å; I542-L546 HydrophobicContact CG2-CD1 3.71Å; I542-L546 HydrophobicContact CG2-CG 4.18Å; I542-L546 WeakPolarHBondContact O-CB 3.45Å; I542-L546 VanDerWaalsContact O-CG 3.24Å; I542-L546 WeakPolarHBondContact O-CG 3.41Å; I542-L546 PolarHBondContact O-N 3.26Å; D544-L546 PolarHBondContact O-N 3.06Å; L546-A549 CarbonylContact O-C 3.44Å; L546-A549 WeakPolarHBondContact O-CB 3.41Å; L546-A549 PolarHBondContact O-N 3.41Å; L546-G550 PolarHBondContact O-N 3.16Å; L546-Y551 HydrophobicContact CD2-CD2 4.36Å; L546-Y551 WeakPolarHBondContact O-CB 3.39Å; L546-Y551 PolarHBondContact O-N 3.48Å; L546-I553 HydrophobicContact CB-CD1 3.38Å; L546-I553 HydrophobicContact CD1-CD1 3.66Å; L546-I553 HydrophobicContact CG-CD1 4.17Å
547	R	97.4	Very high	93.3	Very high	121 Å²	121	53.8 Å²	53.8	46%	0.457	33%	0.326	S	S	.	.	H	α-helix	trans	-65.4	-42.1	171.6	-76.7	173.2	175.8	156.2	1.2	111.9	I543 D544 A549 G550 I553	I543-R547 HydrophobicContact CG2-CG 4.46Å; I543-R547 WeakPolarHBondContact O-CB 3.37Å; I543-R547 VanDerWaalsContact O-CG 3.27Å; I543-R547 WeakPolarHBondContact O-CG 3.46Å; I543-R547 PolarHBondContact O-N 3.49Å; D544-R547 PolarHBondContact O-N 2.94Å; R547-A549 PolarHBondContact O-N 3.22Å; R547-G550 PolarHBondContact O-N 3.2Å; R547-I553 PolarHBondContact NH2-O 3.18Å; R547-I553 VanDerWaalsContact NH2-O 3.14Å
548	K	96.9	Very high	93.4	Very high	132 Å²	132	53.3 Å²	53.3	57%	0.574	31%	0.307	S	S	*	.	H	α-helix	trans	-56.9	-35.1	172	-71.1	169.9	-170.5	173.7	0	110.6	G539 E540 D544 H545 G550	G539-K548 PolarHBondContact O-NZ 3.03Å; G539-K548 VanDerWaalsContact O-NZ 3.09Å; E540-K548 VanDerWaalsContact CD-NZ 3.26Å; E540-K548 IonicContact OE1-NZ 3.6Å; E540-K548 PolarHBondContact OE1-NZ 3.23Å; E540-K548 IonicContact OE2-NZ 3.88Å; E540-K548 PolarHBondContact OE2-NZ 3.01Å; D544-K548 WeakPolarHBondContact O-CB 3.19Å; D544-K548 VanDerWaalsContact O-CG 3.26Å; D544-K548 WeakPolarHBondContact O-CG 3.48Å; D544-K548 PolarHBondContact O-N 3.39Å; H545-K548 WeakPolarHBondContact O-CB 3.38Å; H545-K548 PolarHBondContact O-N 3.05Å; K548-G550 VanDerWaalsContact C-N 3.28Å; K548-G550 PolarHBondContact O-N 3.33Å
549	A	97.1	Very high	93.1	Very high	54 Å²	54	54.7 Å²	54.7	45%	0.446	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	1	174.9	0	0	0	0	0	115.1	I513 H545 L546 R547 Y551	I513-A549 HydrophobicContact CD1-CB 3.51Å; I513-A549 HydrophobicContact CG1-CB 4.3Å; H545-A549 PolarHBondContact O-N 3.3Å; L546-A549 CarbonylContact O-C 3.44Å; L546-A549 WeakPolarHBondContact O-CB 3.41Å; L546-A549 PolarHBondContact O-N 3.41Å; R547-A549 PolarHBondContact O-N 3.22Å; A549-Y551 HydrophobicContact CB-CD2 4.25Å; A549-Y551 HydrophobicContact CB-CE2 4.5Å
550	G	97.3	Very high	91.9	Very high	61 Å²	61	58.7 Å²	58.7	63%	0.629	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	2.8	175.2	0	0	0	0	0	115.7	L546 R547 K548	L546-G550 PolarHBondContact O-N 3.16Å; R547-G550 PolarHBondContact O-N 3.2Å; K548-G550 VanDerWaalsContact C-N 3.28Å; K548-G550 PolarHBondContact O-N 3.33Å
551	Y	98.1	Very high	89.7	Confident	34 Å²	34	61.3 Å²	61.3	13%	0.133	34%	0.335	C	S	.	.			trans	-76.8	134.3	176.2	-70.1	-83.5	0	0	0	111.7	I122 T124 I513 L516 L546 A549 I553	I122-Y551 HydrophobicContact CG2-CD1 3.65Å; I122-Y551 HydrophobicContact CG2-CE1 4.46Å; I122-Y551 HydrophobicContact CG2-CG 4.18Å; T124-Y551 HydrophobicContact CG2-CD1 4.09Å; T124-Y551 HydrophobicContact CG2-CE1 3.81Å; I513-Y551 HydrophobicContact CB-CE2 4.48Å; I513-Y551 HydrophobicContact CG1-CE2 3.93Å; I513-Y551 HydrophobicContact CG2-CE2 4.21Å; L516-Y551 HydrophobicContact CB-CE1 4.4Å; L516-Y551 HydrophobicContact CD1-CD1 4.22Å; L516-Y551 HydrophobicContact CD1-CE1 3.83Å; L516-Y551 HydrophobicContact CD1-CE2 4.21Å; L546-Y551 HydrophobicContact CD2-CD2 4.36Å; L546-Y551 WeakPolarHBondContact O-CB 3.39Å; L546-Y551 PolarHBondContact O-N 3.48Å; A549-Y551 HydrophobicContact CB-CD2 4.25Å; A549-Y551 HydrophobicContact CB-CE2 4.5Å; Y551-I553 PolarHBondContact O-N 2.95Å
552	I	98	Very high	86.9	Confident	112 Å²	112	67.9 Å²	67.9	57%	0.574	37%	0.369	S	S	*	.			trans	-85.8	111.8	171.8	-58.4	171.1	0	0	0	108.5	S123 I554	S123-I552 PolarHBondContact N-O 3Å; S123-I552 PolarHBondContact OG-O 3.21Å; S123-I552 VanDerWaalsContact OG-O 3.06Å; I552-I554 HydrophobicContact CG2-CD1 4.33Å; I552-I554 HydrophobicContact CG2-CG1 4.14Å
553	I	97	Very high	83.9	Confident	8 Å²	8	77.6 Å²	77.6	4%	0.041	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.3	-179.2	-58.8	179.8	0	0	0	110.7	W120 K121 L130 I543 L546 R547 Y551	W120-I553 HydrophobicContact CB-CG2 3.69Å; W120-I553 HydrophobicContact CG-CG2 4.13Å; K121-I553 WeakPolarHBondContact O-CA 3.3Å; L130-I553 HydrophobicContact CD1-CD1 4.16Å; I543-I553 HydrophobicContact CG1-CG2 4.41Å; I543-I553 HydrophobicContact CG2-CB 4.29Å; I543-I553 HydrophobicContact CG2-CD1 4.21Å; I543-I553 HydrophobicContact CG2-CG2 4.09Å; L546-I553 HydrophobicContact CB-CD1 3.38Å; L546-I553 HydrophobicContact CD1-CD1 3.66Å; L546-I553 HydrophobicContact CG-CD1 4.17Å; R547-I553 PolarHBondContact NH2-O 3.18Å; R547-I553 VanDerWaalsContact NH2-O 3.14Å; Y551-I553 PolarHBondContact O-N 2.95Å
554	I	95.3	Very high	81	Confident	91 Å²	91	82.1 Å²	82.1	47%	0.467	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.8	-175.3	-55.8	172.8	0	0	0	109.1	W120 K121 I552	W120-I554 CarbonylContact C-O 3.13Å; W120-I554 WeakPolarHBondContact CA-O 3.46Å; K121-I554 PolarHBondContact N-O 3.46Å; K121-I554 PolarHBondContact O-N 3.36Å; I552-I554 HydrophobicContact CG2-CD1 4.33Å; I552-I554 HydrophobicContact CG2-CG1 4.14Å
555	P	93.8	Very high	78.2	Confident	68 Å²	68	88.1 Å²	88.1	44%	0.442	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	138.7	172.7	27.5	-33.2	0	0	0	110.3	W120 P557	W120-P555 VanDerWaalsContact CD1-CA 3.43Å; P555-P557 WeakPolarHBondContact O-CD 3.26Å
556	V	93.4	Very high	75.3	Confident	16 Å²	16	95.7 Å²	95.7	10%	0.097	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.6	172	-176.7	0	0	0	0	107.2	T117 L119 K121 V148	T117-V556 PolarHBondContact OG1-O 2.8Å; L119-V556 HydrophobicContact CB-CB 4.15Å; L119-V556 HydrophobicContact CB-CG2 4.4Å; L119-V556 HydrophobicContact CD2-CB 4.02Å; L119-V556 HydrophobicContact CD2-CG1 4.2Å; L119-V556 HydrophobicContact CD2-CG2 3.86Å; L119-V556 HydrophobicContact CG-CB 4.27Å; L119-V556 HydrophobicContact CG-CG2 4.04Å; L119-V556 PolarHBondContact O-N 3.44Å; K121-V556 HydrophobicContact CD-CG2 4.13Å; K121-V556 HydrophobicContact CG-CG2 3.77Å; V148-V556 HydrophobicContact CG1-CG1 3.87Å; V148-V556 HydrophobicContact CG2-CG1 4.03Å
557	P	86.3	Confident	72.2	Confident	57 Å²	57	106 Å²	106	37%	0.37	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	156.9	177.3	29.5	-32.9	0	0	0	111.6	Q114 P555 Q559	Q114-P557 HydrophobicContact CG-CB 3.6Å; P555-P557 WeakPolarHBondContact O-CD 3.26Å; P557-Q559 PolarHBondContact O-N 3.35Å
558	Q	81.3	Confident	68.9	Low	54 Å²	54	106.1 Å²	106.1	25%	0.252	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-61.6	132.2	167.7	-178.3	156.3	52.3	0	0	109.2	K115 T117 D146 N560	K115-Q558 HydrophobicContact CB-CB 4.03Å; K115-Q558 WeakPolarHBondContact O-CB 3.37Å; K115-Q558 PolarHBondContact O-N 2.81Å; K115-Q558 VanDerWaalsContact O-N 3.15Å; T117-Q558 VanDerWaalsContact CG2-CA 3.45Å; T117-Q558 HydrophobicContact CG2-CB 3.89Å; D146-Q558 WeakPolarHBondContact OD2-CG 3.44Å; Q558-N560 PolarHBondContact O-N 3.28Å
559	Q	70.5	Confident	65.7	Low	144 Å²	144	103.3 Å²	103.3	67%	0.673	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-71.1	116.5	170.8	-66.5	-175.1	2.7	0	0	107.2	P557 T561	P557-Q559 PolarHBondContact O-N 3.35Å; Q559-T561 PolarHBondContact O-N 3.22Å
560	N	57.3	Low	62.6	Low	121 Å²	121	110.1 Å²	110.1	65%	0.647	58%	0.578	S	S	*	*			trans	-65.7	96.1	160.5	-69.3	-18.8	0	0	0	105.4	Q558 I562	Q558-N560 PolarHBondContact O-N 3.28Å; N560-I562 PolarHBondContact O-N 3.46Å
561	T	44.3	Very low	59.3	Low	134 Å²	134	113.2 Å²	113.2	82%	0.822	58%	0.579	S	S	*	*			trans	-58.9	91.1	148.4	15.2	0	0	0	0	104.5	Q559 R563	Q559-T561 PolarHBondContact O-N 3.22Å; T561-R563 PolarHBondContact O-N 2.94Å
562	I	36	Very low	56.1	Low	147 Å²	147	116.3 Å²	116.3	75%	0.754	61%	0.606	S	S	*	*			trans	-48.1	119.3	168.5	-64.8	171.5	0	0	0	104.1	N560 S564	N560-I562 PolarHBondContact O-N 3.46Å; I562-S564 VanDerWaalsContact C-N 3.28Å; I562-S564 PolarHBondContact O-N 3.23Å
563	R	34.4	Very low	52.8	Low	204 Å²	204	120.5 Å²	120.5	77%	0.77	62%	0.623	S	S	*	*			trans	-46.1	94.9	174.6	-73.5	174.8	173.7	174	-3.3	108.8	T561 E565	T561-R563 PolarHBondContact O-N 2.94Å; R563-E565 WeakPolarHBondContact CD-OE2 3.43Å; R563-E565 IonicContact NE-OE2 3.87Å; R563-E565 PolarHBondContact O-N 3.01Å
564	S	34.5	Very low	49.6	Very low	104 Å²	104	128 Å²	128	73%	0.727	66%	0.658	S	S	*	*			trans	-81	57.7	161.7	58.9	0	0	0	0	107	I562 E566	I562-S564 VanDerWaalsContact C-N 3.28Å; I562-S564 PolarHBondContact O-N 3.23Å; S564-E566 VanDerWaalsContact C-N 3.26Å
565	E	37.7	Very low	46.4	Very low	160 Å²	160	129.1 Å²	129.1	75%	0.748	67%	0.671	S	S	*	*			trans	-88.4	1.4	168.5	-80.7	164	160	0	0	110.8	R563	R563-E565 WeakPolarHBondContact CD-OE2 3.43Å; R563-E565 IonicContact NE-OE2 3.87Å; R563-E565 PolarHBondContact O-N 3.01Å
566	E	37.3	Very low	43.1	Very low	187 Å²	187	133.7 Å²	133.7	87%	0.874	69%	0.691	S	S	*	*	S	Bend	trans	-114.8	-2.5	-176	-124.6	172.6	-162.1	0	0	116.3	S564	S564-E566 VanDerWaalsContact C-N 3.26Å
567	R	31.5	Very low	39.8	Very low	218 Å²	218	142.4 Å²	142.4	82%	0.823	73%	0.727	S	S	*	*	S	Bend	trans	-150.2	103.5	165.3	-79.9	-165.8	-78.2	-145.9	-3.8	110.1
568	I	29.2	Very low	37.2	Very low	123 Å²	123	148.4 Å²	148.4	63%	0.631	75%	0.748	S	S	*	*				171.6	95.9	129.3	-82.1	150.9	0	0	0	104.9	I571	I568-I571 HydrophobicContact CD1-CD1 3.91Å; I568-I571 HydrophobicContact CG1-CD1 4.2Å; I568-I571 HydrophobicContact CG2-CB 3.9Å; I568-I571 HydrophobicContact CG2-CD1 3.62Å; I568-I571 HydrophobicContact CG2-CG1 3.45Å; I568-I571 VanDerWaalsContact CG2-CG1 3.45Å
569	G	29.2	Very low	34.8	Very low	73 Å²	73	154.3 Å²	154.3	75%	0.753	78%	0.775	S	S	*	*	S	Bend	trans	-63.2	141.9	146.5	0	0	0	0	0	107.7
570	E	33.3	Very low	32.7	Very low	196 Å²	196	156 Å²	156	92%	0.916	78%	0.781	S	S	*	*			trans	52.2	77.6	169.8	-67	-179.9	161.9	0	0	116.1
571	I	27.1	Very low	31.4	Very low	127 Å²	127	160 Å²	160	65%	0.651	79%	0.792	S	S	*	*			trans	-123.1	102.1	143.2	-66.4	174.7	0	0	0	106.7	I568 E573	I568-I571 HydrophobicContact CD1-CD1 3.91Å; I568-I571 HydrophobicContact CG1-CD1 4.2Å; I568-I571 HydrophobicContact CG2-CB 3.9Å; I568-I571 HydrophobicContact CG2-CD1 3.62Å; I568-I571 HydrophobicContact CG2-CG1 3.45Å; I568-I571 VanDerWaalsContact CG2-CG1 3.45Å; I571-E573 PolarHBondContact O-N 3.17Å
572	S	30.2	Very low	30.6	Very low	98 Å²	98	159.9 Å²	159.9	69%	0.685	79%	0.787	S	S	*	*			trans	-48.7	133.2	163.6	52.2	0	0	0	0	109.4	E574	S572-E574 PolarHBondContact O-N 2.68Å
573	E	28.8	Very low	30.2	Very low	201 Å²	201	162.6 Å²	162.6	94%	0.939	79%	0.793	S	S	*	*			trans	-60.8	76.3	177.1	-62.8	179.2	168.3	0	0	111.5	I571	I571-E573 PolarHBondContact O-N 3.17Å
574	E	29.4	Very low	29.9	Very low	165 Å²	165	160.4 Å²	160.4	77%	0.771	79%	0.794	S	S	*	*			trans	-97.5	118.2	165.8	-137.7	-177.7	-168.8	0	0	108.2	S572 L576	S572-E574 PolarHBondContact O-N 2.68Å; E574-L576 PolarHBondContact O-N 3.23Å
575	P	28.5	Very low	30	Very low	115 Å²	115	159.2 Å²	159.2	75%	0.747	79%	0.786	S	S	*	*			trans	-64.4	131.1	-169.1	21.6	-30.5	0	0	0	111.9	K577	P575-K577 PolarHBondContact O-N 3.46Å; P575-K577 VanDerWaalsContact O-N 3.09Å
576	L	25.8	Very low	29.8	Very low	164 Å²	164	160.9 Å²	160.9	86%	0.859	79%	0.79	S	S	*	*			trans	-43.1	112	175.2	-78.6	155.3	0	0	0	111.6	E574 F578	E574-L576 PolarHBondContact O-N 3.23Å; L576-F578 PolarHBondContact O-N 2.85Å
577	K	22.9	Very low	29.7	Very low	198 Å²	198	160.6 Å²	160.6	86%	0.861	79%	0.786	S	S	*	*			trans	-66.1	98.3	170.5	-73.8	177.2	180	168.3	0	109	P575 E579	P575-K577 PolarHBondContact O-N 3.46Å; P575-K577 VanDerWaalsContact O-N 3.09Å; K577-E579 PolarHBondContact O-N 2.88Å
578	F	32.3	Very low	29.8	Very low	184 Å²	184	155.5 Å²	155.5	81%	0.807	77%	0.772	S	S	*	*			trans	-69.9	115.4	170.6	-116.1	-94.6	0	0	0	109.5	L576	L576-F578 PolarHBondContact O-N 2.85Å
579	E	30.7	Very low	29.9	Very low	177 Å²	177	156.6 Å²	156.6	83%	0.827	77%	0.772	S	S	*	*			trans	-60	134.3	176.8	-75.1	-176	144.4	0	0	111.3	K577 F581	K577-E579 PolarHBondContact O-N 2.88Å; E579-F581 PolarHBondContact O-N 3.39Å; E579-F581 VanDerWaalsContact O-N 3.08Å
580	K	27.1	Very low	30.1	Very low	180 Å²	180	161.8 Å²	161.8	78%	0.783	78%	0.776	S	S	*	*			trans	-55.7	108.4	-176.6	-74.6	171.3	175.3	170.3	0	111.5	N582	K580-N582 VanDerWaalsContact C-N 3.29Å; K580-N582 PolarHBondContact O-N 3.34Å
581	F	30.1	Very low	30.2	Very low	204 Å²	204	159.4 Å²	159.4	90%	0.895	77%	0.769	S	S	*	*			trans	-65.5	93.5	156	-90.3	-87.4	0	0	0	109	E579	E579-F581 PolarHBondContact O-N 3.39Å; E579-F581 VanDerWaalsContact O-N 3.08Å
582	N	27.4	Very low	30.4	Very low	132 Å²	132	157.9 Å²	157.9	71%	0.706	76%	0.762	S	S	*	*			trans	-77	141.2	171.1	-84	-34	0	0	0	110.3	K580	K580-N582 VanDerWaalsContact C-N 3.29Å; K580-N582 PolarHBondContact O-N 3.34Å
583	K	28	Very low	30.4	Very low	205 Å²	205	159.9 Å²	159.9	89%	0.891	77%	0.765	S	S	*	*			trans	94.6	68.2	172.3	-56.5	-178.8	178.4	178.2	0	116.5
584	M	28.2	Very low	30.4	Very low	158 Å²	158	153.2 Å²	153.2	78%	0.778	75%	0.751	S	S	*	*			trans	-135.8	148.5	145.3	-87.1	-161.5	-67.4	0	0	110.8
585	S	35.4	Very low	30.4	Very low	79 Å²	79	150.6 Å²	150.6	55%	0.552	74%	0.741	S	S	*	*			trans	-63	148.2	-165.5	81.6	0	0	0	0	113.3	K587 Q588	S585-K587 PolarHBondContact O-N 3.32Å; S585-Q588 PolarHBondContact O-N 3.05Å
586	K	33.6	Very low	30.6	Very low	194 Å²	194	153.5 Å²	153.5	84%	0.843	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.5	-24.3	-178	-90.5	179.8	172.9	177.8	0	114.8
587	K	36.1	Very low	31	Very low	182 Å²	182	150.7 Å²	150.7	79%	0.791	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-18.2	-177.4	-145.5	172.2	-175.4	178.6	0	114	S585	S585-K587 PolarHBondContact O-N 3.32Å
588	Q	33.1	Very low	31.8	Very low	111 Å²	111	144.4 Å²	144.4	52%	0.519	71%	0.709	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.3	-15.9	176	-140.2	98	9.6	0	0	112.8	S585	S585-Q588 PolarHBondContact O-N 3.05Å
589	K	30.5	Very low	31.9	Very low	146 Å²	146	143.3 Å²	143.3	64%	0.635	70%	0.7	S	S	*	*	H	α-helix	trans	-74.4	-30.4	-173.3	-123	179.1	179.7	-175.2	0	113.4
590	E	34.2	Very low	32.3	Very low	181 Å²	181	141.7 Å²	141.7	85%	0.846	69%	0.692	S	S	*	*	H	α-helix	trans	-83.2	-15	-177.5	-69.8	-180	170.5	0	0	113.9
591	L	34.8	Very low	32.7	Very low	147 Å²	147	140.1 Å²	140.1	77%	0.77	69%	0.687	S	S	*	*	H	α-helix	trans	-96.8	-18.9	-177	-102.3	122.6	0	0	0	114.8
592	N	31.3	Very low	32.9	Very low	94 Å²	94	134.2 Å²	134.2	50%	0.503	67%	0.665	S	S	.	*	H	α-helix	trans	-120.6	3.6	-170.2	-79.3	-1.2	0	0	0	116.2	G594	N592-G594 PolarHBondContact O-N 3.08Å
593	D	29.5	Very low	33.3	Very low	140 Å²	140	129.5 Å²	129.5	75%	0.749	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	27.2	178.2	-83.5	-5.7	0	0	0	114.2
594	G	29.4	Very low	33.3	Very low	62 Å²	62	124.1 Å²	124.1	64%	0.639	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.3	2.8	-179.3	0	0	0	0	0	117	N592 F596	N592-G594 PolarHBondContact O-N 3.08Å; G594-F596 PolarHBondContact O-N 3.03Å
595	I	29.6	Very low	33.3	Very low	110 Å²	110	123.6 Å²	123.6	56%	0.564	62%	0.623	S	S	*	*			trans	-96.5	74.5	-178.6	-49.6	177.3	0	0	0	109.5
596	F	32	Very low	33	Very low	175 Å²	175	125 Å²	125	77%	0.768	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-89.1	134.1	160.2	-66.4	-82.2	0	0	0	108.3	G594 I598	G594-F596 PolarHBondContact O-N 3.03Å; F596-I598 PolarHBondContact O-N 3.2Å
597	P	35	Very low	32.6	Very low	105 Å²	105	125 Å²	125	68%	0.682	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-58.7	133.7	172.3	21.1	-28.3	0	0	0	110.2	R599	P597-R599 PolarHBondContact O-N 3.09Å
598	I	38.9	Very low	32.2	Very low	66 Å²	66	118.6 Å²	118.6	34%	0.338	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-56.7	124.4	-173.9	-63	167.2	0	0	0	110	E267 F596 D602 V603	E267-I598 VanDerWaalsContact OE1-CD1 3.31Å; E267-I598 WeakPolarHBondContact OE1-CD1 3.49Å; F596-I598 PolarHBondContact O-N 3.2Å; I598-D602 HydrophobicContact CG2-CB 4.06Å; I598-V603 HydrophobicContact CG2-CG2 3.82Å
599	R	34.3	Very low	32.1	Very low	162 Å²	162	121 Å²	121	61%	0.611	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-72.6	147.9	164.6	-63.1	178	-68.5	-164.5	-1.7	108.6	P597 Q601 D602 V603	P597-R599 PolarHBondContact O-N 3.09Å; R599-Q601 HydrophobicContact CB-CG 4.16Å; R599-Q601 PolarHBondContact O-N 3.28Å; R599-D602 WeakPolarHBondContact CB-OD2 3.49Å; R599-D602 IonicContact CZ-OD2 3.66Å; R599-D602 IonicContact NE-OD2 2.67Å; R599-D602 PolarHBondContact NE-OD2 3.1Å; R599-D602 IonicContact NH2-OD2 3.68Å; R599-D602 PolarHBondContact NH2-OD2 3.23Å; R599-D602 WeakPolarHBondContact O-CA 3.24Å; R599-D602 WeakPolarHBondContact O-CB 3.43Å; R599-D602 PolarHBondContact O-N 3.37Å; R599-V603 PolarHBondContact O-N 3.42Å
600	E	39.4	Very low	32	Very low	143 Å²	143	121.6 Å²	121.6	67%	0.668	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-50.4	-36.3	-176.6	-171.8	165.5	-156.9	0	0	114.1	D602 V603	E600-D602 VanDerWaalsContact C-N 3.32Å; E600-D602 PolarHBondContact O-N 3.49Å; E600-V603 WeakPolarHBondContact O-CG2 3.41Å; E600-V603 PolarHBondContact O-N 2.96Å
601	Q	36.1	Very low	31.7	Very low	147 Å²	147	116.1 Å²	116.1	69%	0.687	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-71.7	-19.9	175.3	65.6	-176.1	15	0	0	115.1	R599	R599-Q601 HydrophobicContact CB-CG 4.16Å; R599-Q601 PolarHBondContact O-N 3.28Å
602	D	33	Very low	31.6	Very low	80 Å²	80	114.5 Å²	114.5	43%	0.428	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-94.1	-0.3	-179	-60.4	-37.8	0	0	0	111.3	I598 R599 E600 P604	I598-D602 HydrophobicContact CG2-CB 4.06Å; R599-D602 WeakPolarHBondContact CB-OD2 3.49Å; R599-D602 IonicContact CZ-OD2 3.66Å; R599-D602 IonicContact NE-OD2 2.67Å; R599-D602 PolarHBondContact NE-OD2 3.1Å; R599-D602 IonicContact NH2-OD2 3.68Å; R599-D602 PolarHBondContact NH2-OD2 3.23Å; R599-D602 WeakPolarHBondContact O-CA 3.24Å; R599-D602 WeakPolarHBondContact O-CB 3.43Å; R599-D602 PolarHBondContact O-N 3.37Å; E600-D602 VanDerWaalsContact C-N 3.32Å; E600-D602 PolarHBondContact O-N 3.49Å; D602-P604 WeakPolarHBondContact O-CD 3.45Å; D602-P604 VanDerWaalsContact O-N 3.16Å
603	V	35.8	Very low	31.8	Very low	33 Å²	33	111.9 Å²	111.9	20%	0.2	55%	0.548	C	S	.	.	S	Bend	trans	-62.9	113	168.1	179.7	0	0	0	0	106.7	I598 R599 E600 E605	I598-V603 HydrophobicContact CG2-CG2 3.82Å; R599-V603 PolarHBondContact O-N 3.42Å; E600-V603 WeakPolarHBondContact O-CG2 3.41Å; E600-V603 PolarHBondContact O-N 2.96Å; V603-E605 PolarHBondContact O-N 3.05Å
604	P	28.6	Very low	32	Very low	91 Å²	91	105.4 Å²	105.4	59%	0.591	51%	0.514	S	S	*	.			trans	-58.5	128.6	179.9	-19.8	31.5	0	0	0	108.6	D602 F606	D602-P604 WeakPolarHBondContact O-CD 3.45Å; D602-P604 VanDerWaalsContact O-N 3.16Å; P604-F606 PolarHBondContact O-N 3.28Å
605	E	28.7	Very low	32.4	Very low	148 Å²	148	103.4 Å²	103.4	69%	0.692	49%	0.488	S	S	*	.			trans	-58	94	163.3	-171.3	-170.7	-151.6	0	0	106.4	V603 R607	V603-E605 PolarHBondContact O-N 3.05Å; E605-R607 HydrophobicContact CG-CG 4.49Å; E605-R607 PolarHBondContact O-N 2.89Å; E605-R607 IonicContact OE1-NH2 3.6Å; E605-R607 IonicContact OE2-CZ 2.79Å; E605-R607 IonicContact OE2-NE 3.67Å; E605-R607 PolarHBondContact OE2-NE 3.36Å; E605-R607 IonicContact OE2-NH2 3.91Å; E605-R607 PolarHBondContact OE2-NH2 3.05Å
606	F	29.6	Very low	32.8	Very low	109 Å²	109	98.8 Å²	98.8	48%	0.478	47%	0.466	S	S	.	.			trans	-66.5	100.8	-176.8	-177	-106.6	0	0	0	107.7	P604 P608 V611 F613	P604-F606 PolarHBondContact O-N 3.28Å; F606-P608 VanDerWaalsContact C-CD 3.49Å; F606-P608 HydrophobicContact CD1-CB 4.22Å; F606-P608 VanDerWaalsContact CD1-CD 3.48Å; F606-P608 HydrophobicContact CD1-CG 3.82Å; F606-P608 HydrophobicContact CE1-CB 3.5Å; F606-P608 HydrophobicContact CE1-CG 3.48Å; F606-P608 VanDerWaalsContact CE1-CG 3.48Å; F606-P608 HydrophobicContact CZ-CB 3.8Å; F606-P608 HydrophobicContact CZ-CG 4.29Å; F606-P608 WeakPolarHBondContact O-CD 3.42Å; F606-V611 HydrophobicContact CZ-CG2 4.27Å; F606-F613 HydrophobicContact CE1-CZ 4.39Å
607	R	25	Very low	33.1	Very low	193 Å²	193	97.1 Å²	97.1	73%	0.728	46%	0.455	S	S	*	.			trans	-99	87.7	168.4	-64.9	-167.8	-166.6	-165.5	2.8	108.8	E605 K609	E605-R607 HydrophobicContact CG-CG 4.49Å; E605-R607 PolarHBondContact O-N 2.89Å; E605-R607 IonicContact OE1-NH2 3.6Å; E605-R607 IonicContact OE2-CZ 2.79Å; E605-R607 IonicContact OE2-NE 3.67Å; E605-R607 PolarHBondContact OE2-NE 3.36Å; E605-R607 IonicContact OE2-NH2 3.91Å; E605-R607 PolarHBondContact OE2-NH2 3.05Å; R607-K609 PolarHBondContact O-N 3.42Å
608	P	27	Very low	33.1	Very low	47 Å²	47	93 Å²	93	31%	0.305	43%	0.426	S	S	.	.			trans	-66.9	112.1	174.8	24.8	-27.8	0	0	0	108.7	F606 Y610 V611 F613	F606-P608 VanDerWaalsContact C-CD 3.49Å; F606-P608 HydrophobicContact CD1-CB 4.22Å; F606-P608 VanDerWaalsContact CD1-CD 3.48Å; F606-P608 HydrophobicContact CD1-CG 3.82Å; F606-P608 HydrophobicContact CE1-CB 3.5Å; F606-P608 HydrophobicContact CE1-CG 3.48Å; F606-P608 VanDerWaalsContact CE1-CG 3.48Å; F606-P608 HydrophobicContact CZ-CB 3.8Å; F606-P608 HydrophobicContact CZ-CG 4.29Å; F606-P608 WeakPolarHBondContact O-CD 3.42Å; P608-Y610 PolarHBondContact O-N 2.91Å; P608-V611 HydrophobicContact CB-CB 3.81Å; P608-V611 HydrophobicContact CB-CG2 3.47Å; P608-V611 VanDerWaalsContact CB-CG2 3.47Å; P608-V611 HydrophobicContact CG-CB 4.39Å; P608-V611 HydrophobicContact CG-CG2 4.47Å; P608-F613 HydrophobicContact CG-CE2 3.96Å; P608-F613 HydrophobicContact CG-CZ 4.05Å
609	K	30.8	Very low	32.9	Very low	163 Å²	163	91.6 Å²	91.6	71%	0.709	42%	0.418	S	S	*	.	S	Bend	trans	-70.3	88.6	156.8	-79.8	179.3	173.1	-179.6	0	106.6	R607	R607-K609 PolarHBondContact O-N 3.42Å
610	Y	28	Very low	32.8	Very low	158 Å²	158	84.6 Å²	84.6	62%	0.62	39%	0.393	S	S	*	.	S	Bend	trans	70	81.8	179.1	-48.1	-78.2	0	0	0	115.4	P608 Y631	P608-Y610 PolarHBondContact O-N 2.91Å; Y610-Y631 AromaticContact CE2-CE2 3.84Å; Y610-Y631 HydrophobicContact CE2-CE2 3.84Å; Y610-Y631 WeakPolarHBondContact CE2-OH 3.03Å
611	V	28.4	Very low	32.5	Very low	65 Å²	65	78.7 Å²	78.7	39%	0.394	37%	0.365	S	S	.	.			trans	-110.5	130.5	151.6	175.7	0	0	0	0	106.6	F606 P608 F613	F606-V611 HydrophobicContact CZ-CG2 4.27Å; P608-V611 HydrophobicContact CB-CB 3.81Å; P608-V611 HydrophobicContact CB-CG2 3.47Å; P608-V611 VanDerWaalsContact CB-CG2 3.47Å; P608-V611 HydrophobicContact CG-CB 4.39Å; P608-V611 HydrophobicContact CG-CG2 4.47Å; V611-F613 HydrophobicContact CB-CD2 4.17Å; V611-F613 HydrophobicContact CB-CE1 4.08Å; V611-F613 HydrophobicContact CB-CE2 3.47Å; V611-F613 VanDerWaalsContact CB-CE2 3.47Å; V611-F613 HydrophobicContact CB-CZ 3.43Å; V611-F613 VanDerWaalsContact CB-CZ 3.43Å; V611-F613 HydrophobicContact CG1-CD1 3.83Å; V611-F613 HydrophobicContact CG1-CD2 4.07Å; V611-F613 HydrophobicContact CG1-CE1 3.38Å; V611-F613 HydrophobicContact CG1-CE2 3.65Å; V611-F613 HydrophobicContact CG1-CG 4.16Å; V611-F613 HydrophobicContact CG1-CZ 3.3Å; V611-F613 HydrophobicContact CG2-CZ 4.36Å; V611-F613 WeakPolarHBondContact O-CD2 3.47Å; V611-F613 VanDerWaalsContact O-CE2 3.3Å; V611-F613 WeakPolarHBondContact O-CE2 3.41Å
612	K	33.9	Very low	32.1	Very low	113 Å²	113	75.2 Å²	75.2	49%	0.491	35%	0.351	S	S	.	.			trans	-84.5	126	175.5	-70.4	-177.8	169.9	-167.7	0	107.9	D622	K612-D622 PolarHBondContact NZ-O 2.98Å
613	F	34.9	Very low	31.7	Very low	39 Å²	39	78.9 Å²	78.9	17%	0.171	36%	0.364	C	S	.	.			trans	-136.7	115.6	-171.4	-58.3	-85	0	0	0	110.8	F606 P608 V611	F606-F613 HydrophobicContact CE1-CZ 4.39Å; P608-F613 HydrophobicContact CG-CE2 3.96Å; P608-F613 HydrophobicContact CG-CZ 4.05Å; V611-F613 HydrophobicContact CB-CD2 4.17Å; V611-F613 HydrophobicContact CB-CE1 4.08Å; V611-F613 HydrophobicContact CB-CE2 3.47Å; V611-F613 VanDerWaalsContact CB-CE2 3.47Å; V611-F613 HydrophobicContact CB-CZ 3.43Å; V611-F613 VanDerWaalsContact CB-CZ 3.43Å; V611-F613 HydrophobicContact CG1-CD1 3.83Å; V611-F613 HydrophobicContact CG1-CD2 4.07Å; V611-F613 HydrophobicContact CG1-CE1 3.38Å; V611-F613 HydrophobicContact CG1-CE2 3.65Å; V611-F613 HydrophobicContact CG1-CG 4.16Å; V611-F613 HydrophobicContact CG1-CZ 3.3Å; V611-F613 HydrophobicContact CG2-CZ 4.36Å; V611-F613 WeakPolarHBondContact O-CD2 3.47Å; V611-F613 VanDerWaalsContact O-CE2 3.3Å; V611-F613 WeakPolarHBondContact O-CE2 3.41Å
614	D	34	Very low	31.1	Very low	5 Å²	5	85.2 Å²	85.2	3%	0.027	39%	0.389	C	S	.	.			trans	-131.7	175.9	168.7	-48	-62.1	0	0	0	108.7	T227 K619 I620 E621	T227-D614 VanDerWaalsContact CB-OD1 3.27Å; T227-D614 WeakPolarHBondContact CB-OD1 3.44Å; T227-D614 VanDerWaalsContact CG2-CG 3.5Å; T227-D614 WeakPolarHBondContact CG2-OD1 3.29Å; D614-K619 CarbonylContact O-C 2.6Å; D614-K619 WeakPolarHBondContact O-CA 3.18Å; D614-K619 WeakPolarHBondContact O-CB 3.39Å; D614-K619 WeakPolarHBondContact O-CG 3.46Å; D614-I620 VanDerWaalsContact CB-C 3.44Å; D614-I620 PolarHBondContact O-N 2.84Å; D614-E621 HydrophobicContact CB-CB 3.78Å; D614-E621 HydrophobicContact CB-CG 3.62Å; D614-E621 VanDerWaalsContact CB-N 3.29Å; D614-E621 VanDerWaalsContact CG-CB 3.45Å; D614-E621 WeakPolarHBondContact OD2-CA 3.46Å; D614-E621 WeakPolarHBondContact OD2-CB 3.44Å; D614-E621 PolarHBondContact OD2-N 3.12Å
615	N	36.6	Very low	31	Very low	19 Å²	19	85.1 Å²	85.1	10%	0.102	39%	0.388	C	S	.	.			trans	88.1	75.5	155	-120.8	26.8	0	0	0	120.5	Q178 W617 I618 K619 I620	Q178-N615 PolarHBondContact NE2-ND2 3.39Å; Q178-N615 PolarHBondContact NE2-OD1 3.01Å; Q178-N615 PolarHBondContact OE1-OD1 3.27Å; N615-W617 PolarHBondContact O-N 2.91Å; N615-I618 WeakPolarHBondContact CB-O 3.35Å; N615-I618 PolarHBondContact ND2-O 2.98Å; N615-I618 CarbonylContact O-C 2.95Å; N615-I618 PolarHBondContact O-N 3.25Å; N615-K619 HydrophobicContact CB-CB 4.33Å; N615-K619 HydrophobicContact CB-CG 4.38Å; N615-K619 WeakPolarHBondContact O-CA 3.35Å; N615-K619 WeakPolarHBondContact O-CB 3.36Å; N615-K619 WeakPolarHBondContact O-CG 3.3Å; N615-K619 PolarHBondContact O-N 3Å; N615-I620 WeakPolarHBondContact ND2-CA 3.5Å; N615-I620 VanDerWaalsContact ND2-CB 3.33Å; N615-I620 WeakPolarHBondContact ND2-CB 3.28Å; N615-I620 VanDerWaalsContact ND2-CD1 3.33Å; N615-I620 WeakPolarHBondContact ND2-CD1 3.46Å; N615-I620 PolarHBondContact ND2-N 3.07Å; N615-I620 PolarHBondContact ND2-O 3.28Å; N615-I620 PolarHBondContact OD1-O 3.38Å
616	S	37.8	Very low	30.7	Very low	14 Å²	14	89.2 Å²	89.2	10%	0.098	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	22.6	175.3	-71.7	0	0	0	0	117.3	E251 R255 K619	E251-S616 WeakPolarHBondContact OE2-CB 3.16Å; E251-S616 PolarHBondContact OE2-OG 3.48Å; R255-S616 PolarHBondContact NH2-OG 3.21Å; S616-K619 WeakPolarHBondContact OG-CE 3.44Å; S616-K619 PolarHBondContact OG-NZ 2.86Å
617	W	38.8	Very low	30.5	Very low	140 Å²	140	90.5 Å²	90.5	53%	0.53	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	43.9	166.8	-68	84.3	0	0	0	110.4	L242 N615	L242-W617 HydrophobicContact CB-CG 4.35Å; L242-W617 HydrophobicContact CD1-CD2 4.39Å; L242-W617 HydrophobicContact CD1-CG 4.31Å; L242-W617 HydrophobicContact CD2-CD2 4.19Å; L242-W617 HydrophobicContact CD2-CH2 4.3Å; L242-W617 HydrophobicContact CD2-CZ2 3.86Å; N615-W617 PolarHBondContact O-N 2.91Å
618	I	35.1	Very low	30.5	Very low	17 Å²	17	89.6 Å²	89.6	9%	0.087	42%	0.422	C	S	.	.	S	Bend	trans	94.6	102.9	-159.7	-58.2	159.2	0	0	0	112.9	H135 L163 L165 L171 L174 N615 I620	H135-I618 PolarHBondContact NE2-N 2.82Å; L163-I618 HydrophobicContact CD1-CD1 3.63Å; L165-I618 HydrophobicContact CD1-CG1 4.36Å; L165-I618 HydrophobicContact CD1-CG2 4Å; L165-I618 HydrophobicContact CD2-CB 4.34Å; L165-I618 HydrophobicContact CD2-CD1 4.43Å; L165-I618 HydrophobicContact CD2-CG1 4.14Å; L165-I618 HydrophobicContact CD2-CG2 3.26Å; L165-I618 HydrophobicContact CG-CG2 4.23Å; L171-I618 HydrophobicContact CD2-CG2 4.4Å; L174-I618 HydrophobicContact CD1-CB 3.99Å; L174-I618 HydrophobicContact CD1-CD1 3.74Å; L174-I618 HydrophobicContact CD1-CG1 4.42Å; L174-I618 HydrophobicContact CD1-CG2 3.33Å; L174-I618 HydrophobicContact CD2-CD1 3.89Å; N615-I618 WeakPolarHBondContact CB-O 3.35Å; N615-I618 PolarHBondContact ND2-O 2.98Å; N615-I618 CarbonylContact O-C 2.95Å; N615-I618 PolarHBondContact O-N 3.25Å; I618-I620 HydrophobicContact CG2-CD1 3.91Å; I618-I620 WeakPolarHBondContact O-CD1 3.31Å; I618-I620 PolarHBondContact O-N 3.26Å
619	K	35.7	Very low	30.4	Very low	37 Å²	37	91.4 Å²	91.4	16%	0.161	43%	0.432	C	S	.	.			trans	-65.5	82.1	-164.6	-82.4	-168.5	176.2	149.3	0	119.6	D614 N615 S616	D614-K619 CarbonylContact O-C 2.6Å; D614-K619 WeakPolarHBondContact O-CA 3.18Å; D614-K619 WeakPolarHBondContact O-CB 3.39Å; D614-K619 WeakPolarHBondContact O-CG 3.46Å; N615-K619 HydrophobicContact CB-CB 4.33Å; N615-K619 HydrophobicContact CB-CG 4.38Å; N615-K619 WeakPolarHBondContact O-CA 3.35Å; N615-K619 WeakPolarHBondContact O-CB 3.36Å; N615-K619 WeakPolarHBondContact O-CG 3.3Å; N615-K619 PolarHBondContact O-N 3Å; S616-K619 WeakPolarHBondContact OG-CE 3.44Å; S616-K619 PolarHBondContact OG-NZ 2.86Å
620	I	31.5	Very low	30.1	Very low	16 Å²	16	89.9 Å²	89.9	8%	0.082	43%	0.432	C	S	.	.			trans	-134.4	131.5	172.8	-38.6	123	0	0	0	121	L171 L174 D614 N615 I618	L171-I620 HydrophobicContact CB-CD1 4.43Å; L171-I620 HydrophobicContact CB-CG1 3.72Å; L171-I620 HydrophobicContact CB-CG2 4.3Å; L171-I620 HydrophobicContact CD2-CD1 4.08Å; L171-I620 HydrophobicContact CD2-CG1 3.48Å; L171-I620 VanDerWaalsContact CD2-CG1 3.48Å; L171-I620 HydrophobicContact CG-CG1 4.15Å; L171-I620 WeakPolarHBondContact O-CD1 3.5Å; L171-I620 VanDerWaalsContact O-CG1 3.28Å; L171-I620 WeakPolarHBondContact O-CG1 3.46Å; L171-I620 WeakPolarHBondContact O-CG2 3.24Å; L174-I620 HydrophobicContact CB-CD1 3.08Å; L174-I620 HydrophobicContact CB-CG1 4.47Å; L174-I620 HydrophobicContact CD1-CD1 3.6Å; L174-I620 HydrophobicContact CG-CD1 4Å; D614-I620 VanDerWaalsContact CB-C 3.44Å; D614-I620 PolarHBondContact O-N 2.84Å; N615-I620 WeakPolarHBondContact ND2-CA 3.5Å; N615-I620 VanDerWaalsContact ND2-CB 3.33Å; N615-I620 WeakPolarHBondContact ND2-CB 3.28Å; N615-I620 VanDerWaalsContact ND2-CD1 3.33Å; N615-I620 WeakPolarHBondContact ND2-CD1 3.46Å; N615-I620 PolarHBondContact ND2-N 3.07Å; N615-I620 PolarHBondContact ND2-O 3.28Å; N615-I620 PolarHBondContact OD1-O 3.38Å; I618-I620 HydrophobicContact CG2-CD1 3.91Å; I618-I620 WeakPolarHBondContact O-CD1 3.31Å; I618-I620 PolarHBondContact O-N 3.26Å
621	E	32.9	Very low	30.1	Very low	19 Å²	19	88.3 Å²	88.3	9%	0.089	43%	0.426	C	S	.	.			trans	-144	160	144.3	-63.2	-166.2	168.1	0	0	111.8	K230 K235 D614	K230-E621 WeakPolarHBondContact CB-OE2 3.15Å; K235-E621 WeakPolarHBondContact CE-OE1 3.35Å; K235-E621 IonicContact NZ-OE1 3.74Å; K235-E621 PolarHBondContact NZ-OE1 3.34Å; D614-E621 HydrophobicContact CB-CB 3.78Å; D614-E621 HydrophobicContact CB-CG 3.62Å; D614-E621 VanDerWaalsContact CB-N 3.29Å; D614-E621 VanDerWaalsContact CG-CB 3.45Å; D614-E621 WeakPolarHBondContact OD2-CA 3.46Å; D614-E621 WeakPolarHBondContact OD2-CB 3.44Å; D614-E621 PolarHBondContact OD2-N 3.12Å
622	D	28.1	Very low	30	Very low	73 Å²	73	90.7 Å²	90.7	39%	0.39	44%	0.436	S	S	.	.			trans	15.9	99.5	165.4	-76.2	-1.7	0	0	0	121.9	K230 K612 K624	K230-D622 IonicContact NZ-OD2 3.37Å; K230-D622 PolarHBondContact NZ-OD2 2.82Å; K612-D622 PolarHBondContact NZ-O 2.98Å; D622-K624 PolarHBondContact O-N 3.24Å
623	F	24.5	Very low	29.7	Very low	158 Å²	158	93.7 Å²	93.7	69%	0.693	45%	0.452	S	S	*	.			trans	-81.1	105.5	150.7	-173.3	-96.7	0	0	0	111.6	P625	F623-P625 HydrophobicContact CD1-CG 4.47Å; F623-P625 HydrophobicContact CE1-CB 3.89Å; F623-P625 HydrophobicContact CE1-CG 3.73Å; F623-P625 HydrophobicContact CZ-CB 3.85Å; F623-P625 HydrophobicContact CZ-CG 4.22Å
624	K	23.1	Very low	29.5	Very low	166 Å²	166	97.7 Å²	97.7	72%	0.722	47%	0.474	S	S	*	.			trans	-114.7	125	150.2	-74.1	-174.7	-178	172.4	0	110.4	D622 R626	D622-K624 PolarHBondContact O-N 3.24Å; K624-R626 PolarHBondContact O-N 3.5Å
625	P	27	Very low	29.4	Very low	88 Å²	88	101.2 Å²	101.2	57%	0.571	50%	0.499	S	S	*	.			trans	-83.8	102.5	177.5	30.6	-28.1	0	0	0	108.9	F623	F623-P625 HydrophobicContact CD1-CG 4.47Å; F623-P625 HydrophobicContact CE1-CB 3.89Å; F623-P625 HydrophobicContact CE1-CG 3.73Å; F623-P625 HydrophobicContact CZ-CB 3.85Å; F623-P625 HydrophobicContact CZ-CG 4.22Å
626	R	23	Very low	29.3	Very low	234 Å²	234	105.8 Å²	105.8	88%	0.883	53%	0.528	S	S	*	.			trans	-178.2	96.3	152.5	-106.6	175.1	-84.6	-128.3	7.2	109.8	K624	K624-R626 PolarHBondContact O-N 3.5Å
627	T	24.5	Very low	29.1	Very low	136 Å²	136	108.6 Å²	108.6	83%	0.834	55%	0.547	S	S	*	.			trans	-167	100.8	142	20.7	0	0	0	0	106.2	V629	T627-V629 PolarHBondContact O-N 3.04Å
628	L	24.8	Very low	28.8	Very low	174 Å²	174	106.6 Å²	106.6	91%	0.911	55%	0.547	S	S	*	.			trans	-67	101	170	-71.8	161.1	0	0	0	106.7	N630	L628-N630 PolarHBondContact O-N 2.89Å
629	V	25.6	Very low	28.6	Very low	85 Å²	85	111.3 Å²	111.3	52%	0.515	57%	0.57	S	S	.	*			trans	-76.3	124.7	169.9	-176	0	0	0	0	108	T627 Y631	T627-V629 PolarHBondContact O-N 3.04Å; V629-Y631 PolarHBondContact O-N 3.15Å
630	N	23.1	Very low	28.8	Very low	132 Å²	132	114.5 Å²	114.5	71%	0.706	59%	0.592	S	S	*	*			trans	-66.7	89.7	-173.6	-163.6	11.8	0	0	0	111	L628 N632	L628-N630 PolarHBondContact O-N 2.89Å; N630-N632 PolarHBondContact O-N 3.29Å; N630-N632 VanDerWaalsContact O-N 3.12Å
631	Y	28.2	Very low	29.1	Very low	124 Å²	124	121.2 Å²	121.2	49%	0.486	62%	0.621	S	S	.	*			trans	-80.3	83.9	170.9	-89.1	-81.4	0	0	0	110	Y610 V629	Y610-Y631 AromaticContact CE2-CE2 3.84Å; Y610-Y631 HydrophobicContact CE2-CE2 3.84Å; Y610-Y631 WeakPolarHBondContact CE2-OH 3.03Å; V629-Y631 PolarHBondContact O-N 3.15Å
632	N	26.2	Very low	29.3	Very low	115 Å²	115	126.9 Å²	126.9	62%	0.615	65%	0.648	S	S	*	*			trans	-68.5	130.4	157.1	-75.1	-18.8	0	0	0	107.8	N630	N630-N632 PolarHBondContact O-N 3.29Å; N630-N632 VanDerWaalsContact O-N 3.12Å
633	H	28.4	Very low	29.9	Very low	177 Å²	177	126.5 Å²	126.5	82%	0.819	65%	0.65	S	S	*	*			trans	84.8	74.5	179.7	-54.4	-80.8	0	0	0	116.8
634	I	30.4	Very low	30.7	Very low	123 Å²	123	122.3 Å²	122.3	63%	0.631	64%	0.641	S	S	*	*	S	Bend		-155.7	136.9	129.9	-85	133.1	0	0	0	107.5	T636	I634-T636 PolarHBondContact O-N 2.85Å
635	S	32.6	Very low	31.4	Very low	79 Å²	79	121.9 Å²	121.9	55%	0.552	64%	0.639	S	S	*	*			trans	-48.1	127.7	-175.5	179.9	0	0	0	0	114.1	S637 N638	S635-S637 PolarHBondContact O-N 3.5Å; S635-S637 VanDerWaalsContact O-N 3.09Å; S635-N638 PolarHBondContact O-N 3.26Å
636	T	33.1	Very low	32.1	Very low	115 Å²	115	123 Å²	123	71%	0.706	64%	0.639	S	S	*	*	H	α-helix	trans	-61.2	-15.9	-173.6	43.4	0	0	0	0	115	I634	I634-T636 PolarHBondContact O-N 2.85Å
637	S	34.7	Very low	33	Very low	73 Å²	73	116 Å²	116	51%	0.51	62%	0.619	S	S	.	*	H	α-helix	trans	-73.2	-32.9	-178.2	74.9	0	0	0	0	113.4	S635	S635-S637 PolarHBondContact O-N 3.5Å; S635-S637 VanDerWaalsContact O-N 3.09Å
638	N	33	Very low	33.9	Very low	98 Å²	98	111.7 Å²	111.7	52%	0.524	60%	0.597	S	S	.	*	H	α-helix	trans	-78.5	-30.5	-179.4	-78.1	-17.9	0	0	0	112.3	S635 K641 Q642	S635-N638 PolarHBondContact O-N 3.26Å; N638-K641 PolarHBondContact O-N 3.45Å; N638-Q642 PolarHBondContact O-N 3.4Å; N638-Q642 VanDerWaalsContact O-N 3.15Å
639	M	30.1	Very low	34.8	Very low	115 Å²	115	108.3 Å²	108.3	57%	0.567	58%	0.58	S	S	*	*	H	α-helix	trans	-68.2	-41.8	177.8	-69.8	-163.2	78.5	0	0	112.4	K641 Q642 S643	M639-K641 VanDerWaalsContact C-N 3.26Å; M639-K641 PolarHBondContact O-N 3.43Å; M639-Q642 PolarHBondContact O-N 2.67Å; M639-Q642 VanDerWaalsContact O-N 3.14Å; M639-S643 WeakPolarHBondContact O-CB 3.49Å; M639-S643 PolarHBondContact O-N 3.16Å; M639-S643 PolarHBondContact O-OG 2.89Å
640	V	40.3	Very low	35.6	Very low	104 Å²	104	109.5 Å²	109.5	63%	0.63	58%	0.58	S	S	*	*	H	α-helix	trans	-62.4	-36.2	179.2	178.2	0	0	0	0	111.5	S644	V640-S644 WeakPolarHBondContact O-CB 3.44Å; V640-S644 PolarHBondContact O-N 3.1Å; V640-S644 PolarHBondContact O-OG 3.01Å
641	K	38.5	Very low	36.6	Very low	157 Å²	157	106.8 Å²	106.8	68%	0.683	57%	0.568	S	S	*	*	H	α-helix	trans	-69.5	-36.6	175.2	-79.6	-176.5	176.9	178.5	0	112.9	N638 M639 S644 K645	N638-K641 PolarHBondContact O-N 3.45Å; M639-K641 VanDerWaalsContact C-N 3.26Å; M639-K641 PolarHBondContact O-N 3.43Å; K641-S644 PolarHBondContact O-OG 2.69Å; K641-S644 VanDerWaalsContact O-OG 3.08Å; K641-K645 PolarHBondContact O-N 3.49Å
642	Q	36.7	Very low	37.3	Very low	139 Å²	139	105.9 Å²	105.9	65%	0.65	57%	0.572	S	S	*	*	H	α-helix	trans	-77.3	-41.7	178.8	-76.3	-175.3	-9.5	0	0	112.6	N638 M639 S644 K645 L646	N638-Q642 PolarHBondContact O-N 3.4Å; N638-Q642 VanDerWaalsContact O-N 3.15Å; M639-Q642 PolarHBondContact O-N 2.67Å; M639-Q642 VanDerWaalsContact O-N 3.14Å; Q642-S644 VanDerWaalsContact C-N 3.31Å; Q642-S644 PolarHBondContact O-N 2.94Å; Q642-K645 WeakPolarHBondContact O-CB 3.32Å; Q642-K645 PolarHBondContact O-N 3.16Å; Q642-K645 VanDerWaalsContact O-N 3.12Å; Q642-L646 PolarHBondContact O-N 2.67Å
643	S	39.8	Very low	38.1	Very low	64 Å²	64	106.1 Å²	106.1	45%	0.448	57%	0.57	S	S	.	*	H	α-helix	trans	-63.2	-37.7	178	-51.6	0	0	0	0	112.2	M639 L646 L647	M639-S643 WeakPolarHBondContact O-CB 3.49Å; M639-S643 PolarHBondContact O-N 3.16Å; M639-S643 PolarHBondContact O-OG 2.89Å; S643-L646 PolarHBondContact O-N 3.34Å; S643-L647 WeakPolarHBondContact O-CB 3.2Å; S643-L647 PolarHBondContact O-N 2.95Å
644	S	40.9	Very low	39.1	Very low	71 Å²	71	104.9 Å²	104.9	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-68.4	-34.3	174.5	46.7	0	0	0	0	112.6	V640 K641 Q642 A648	V640-S644 WeakPolarHBondContact O-CB 3.44Å; V640-S644 PolarHBondContact O-N 3.1Å; V640-S644 PolarHBondContact O-OG 3.01Å; K641-S644 PolarHBondContact O-OG 2.69Å; K641-S644 VanDerWaalsContact O-OG 3.08Å; Q642-S644 VanDerWaalsContact C-N 3.31Å; Q642-S644 PolarHBondContact O-N 2.94Å; S644-A648 WeakPolarHBondContact O-CB 3.36Å; S644-A648 PolarHBondContact O-N 3.46Å; S644-A648 VanDerWaalsContact O-N 3.14Å
645	K	38.7	Very low	39.8	Very low	156 Å²	156	106 Å²	106	68%	0.678	56%	0.56	S	S	*	*	H	α-helix	trans	-67.3	-41.5	173.1	-129.1	178.1	-177.4	-175.7	0	112.1	K641 Q642 A648 L649	K641-K645 PolarHBondContact O-N 3.49Å; Q642-K645 WeakPolarHBondContact O-CB 3.32Å; Q642-K645 PolarHBondContact O-N 3.16Å; Q642-K645 VanDerWaalsContact O-N 3.12Å; K645-A648 PolarHBondContact O-N 3.29Å; K645-L649 WeakPolarHBondContact O-CG 3.46Å; K645-L649 PolarHBondContact O-N 2.9Å
646	L	41.6	Very low	40.3	Very low	111 Å²	111	105.4 Å²	105.4	58%	0.581	56%	0.556	S	S	*	*	H	α-helix	trans	-67.2	-43	179	-133.2	91.5	0	0	0	111.9	Q642 S643 A648 L649 E650	Q642-L646 PolarHBondContact O-N 2.67Å; S643-L646 PolarHBondContact O-N 3.34Å; L646-A648 VanDerWaalsContact C-N 3.32Å; L646-A648 PolarHBondContact O-N 3.48Å; L646-L649 WeakPolarHBondContact O-CB 3.39Å; L646-L649 PolarHBondContact O-N 3.49Å; L646-L649 VanDerWaalsContact O-N 3.16Å; L646-E650 PolarHBondContact O-N 2.94Å
647	L	42.9	Very low	40.8	Very low	87 Å²	87	106.3 Å²	106.3	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-64.3	-35.4	175.7	-106.5	145.3	0	0	0	112.6	S643 T651	S643-L647 WeakPolarHBondContact O-CB 3.2Å; S643-L647 PolarHBondContact O-N 2.95Å; L647-T651 PolarHBondContact O-N 3.1Å; L647-T651 VanDerWaalsContact O-N 3.09Å; L647-T651 PolarHBondContact O-OG1 3.22Å
648	A	42.9	Very low	41.6	Very low	46 Å²	46	106.9 Å²	106.9	38%	0.38	55%	0.554	S	S	.	*	H	α-helix	trans	-66.3	-38.2	173	0	0	0	0	0	112	S644 K645 L646 T651 N652	S644-A648 WeakPolarHBondContact O-CB 3.36Å; S644-A648 PolarHBondContact O-N 3.46Å; S644-A648 VanDerWaalsContact O-N 3.14Å; K645-A648 PolarHBondContact O-N 3.29Å; L646-A648 VanDerWaalsContact C-N 3.32Å; L646-A648 PolarHBondContact O-N 3.48Å; A648-T651 WeakPolarHBondContact CA-OG1 3.47Å; A648-T651 PolarHBondContact O-OG1 2.73Å; A648-T651 VanDerWaalsContact O-OG1 3.13Å; A648-N652 WeakPolarHBondContact O-CB 3.21Å; A648-N652 PolarHBondContact O-N 3.06Å; A648-N652 PolarHBondContact O-ND2 2.94Å
649	L	42.3	Very low	42.5	Very low	104 Å²	104	108.3 Å²	108.3	55%	0.545	56%	0.556	S	S	.	*	H	α-helix	trans	-67.6	-44	175.7	-79.8	157.8	0	0	0	112.1	K645 L646 T651 N652 M653	K645-L649 WeakPolarHBondContact O-CG 3.46Å; K645-L649 PolarHBondContact O-N 2.9Å; L646-L649 WeakPolarHBondContact O-CB 3.39Å; L646-L649 PolarHBondContact O-N 3.49Å; L646-L649 VanDerWaalsContact O-N 3.16Å; L649-T651 PolarHBondContact O-N 3.47Å; L649-N652 PolarHBondContact O-N 3.32Å; L649-M653 PolarHBondContact O-N 3.2Å
650	E	42.4	Very low	43.5	Very low	109 Å²	109	106.2 Å²	106.2	51%	0.509	55%	0.55	S	S	.	.	H	α-helix	trans	-63.6	-40.1	176.4	-77.7	-172.6	160.8	0	0	112.8	L646 M653 K654	L646-E650 PolarHBondContact O-N 2.94Å; E650-M653 PolarHBondContact O-N 3.44Å; E650-K654 PolarHBondContact O-N 3.15Å
651	T	46.2	Very low	44.1	Very low	76 Å²	76	108.8 Å²	108.8	47%	0.466	55%	0.552	S	S	.	*	H	α-helix	trans	-67.4	-37.8	176.1	34.3	0	0	0	0	112	L647 A648 L649 Y655	L647-T651 PolarHBondContact O-N 3.1Å; L647-T651 VanDerWaalsContact O-N 3.09Å; L647-T651 PolarHBondContact O-OG1 3.22Å; A648-T651 WeakPolarHBondContact CA-OG1 3.47Å; A648-T651 PolarHBondContact O-OG1 2.73Å; A648-T651 VanDerWaalsContact O-OG1 3.13Å; L649-T651 PolarHBondContact O-N 3.47Å; T651-Y655 WeakPolarHBondContact O-CB 3.36Å; T651-Y655 PolarHBondContact O-N 3.23Å
652	N	42.4	Very low	44.7	Very low	104 Å²	104	106 Å²	106	56%	0.556	54%	0.538	S	S	*	.	H	α-helix	trans	-67.4	-37.8	174	-73.6	-18.5	0	0	0	112.6	A648 L649 Y655 S656	A648-N652 WeakPolarHBondContact O-CB 3.21Å; A648-N652 PolarHBondContact O-N 3.06Å; A648-N652 PolarHBondContact O-ND2 2.94Å; L649-N652 PolarHBondContact O-N 3.32Å; N652-Y655 WeakPolarHBondContact O-CB 3.35Å; N652-Y655 PolarHBondContact O-N 3.48Å; N652-S656 WeakPolarHBondContact O-CB 3.43Å; N652-S656 PolarHBondContact O-N 3.08Å
653	M	43.2	Very low	45.4	Very low	120 Å²	120	103.7 Å²	103.7	59%	0.591	53%	0.529	S	S	*	.	H	α-helix	trans	-66.4	-45.1	175	-79.9	-163.8	-52.4	0	0	112.4	L649 E650 Y655 S656 M657	L649-M653 PolarHBondContact O-N 3.2Å; E650-M653 PolarHBondContact O-N 3.44Å; M653-Y655 VanDerWaalsContact C-N 3.27Å; M653-Y655 PolarHBondContact O-N 3.01Å; M653-S656 PolarHBondContact O-N 3.26Å; M653-M657 PolarHBondContact O-N 3.47Å
654	K	48.2	Very low	46	Very low	152 Å²	152	106.1 Å²	106.1	66%	0.661	53%	0.533	S	S	*	.	H	α-helix	trans	-59.8	-40.4	173.8	-82.7	-178.5	177.5	173.2	0	111.3	E650 T658	E650-K654 PolarHBondContact O-N 3.15Å; K654-T658 PolarHBondContact O-N 2.93Å; K654-T658 VanDerWaalsContact O-N 3.14Å; K654-T658 PolarHBondContact O-OG1 3.4Å
655	Y	44.7	Very low	46.4	Very low	146 Å²	146	109.4 Å²	109.4	57%	0.573	54%	0.541	S	S	*	.	H	α-helix	trans	-61.3	-45.2	175.5	-177.8	-99.1	0	0	0	112.3	T651 N652 M653 K659	T651-Y655 WeakPolarHBondContact O-CB 3.36Å; T651-Y655 PolarHBondContact O-N 3.23Å; N652-Y655 WeakPolarHBondContact O-CB 3.35Å; N652-Y655 PolarHBondContact O-N 3.48Å; M653-Y655 VanDerWaalsContact C-N 3.27Å; M653-Y655 PolarHBondContact O-N 3.01Å; Y655-K659 PolarHBondContact O-N 2.68Å; Y655-K659 VanDerWaalsContact O-N 3.17Å
656	S	44.7	Very low	46.7	Very low	66 Å²	66	106.2 Å²	106.2	46%	0.462	53%	0.531	S	S	.	.	H	α-helix	trans	-62.6	-49.7	177.8	-175.7	0	0	0	0	112.2	N652 M653 T658 K659 T660	N652-S656 WeakPolarHBondContact O-CB 3.43Å; N652-S656 PolarHBondContact O-N 3.08Å; M653-S656 PolarHBondContact O-N 3.26Å; S656-T658 VanDerWaalsContact C-N 3.31Å; S656-T658 PolarHBondContact O-N 3.32Å; S656-K659 WeakPolarHBondContact O-CB 3.31Å; S656-K659 PolarHBondContact O-N 3.14Å; S656-K659 VanDerWaalsContact O-N 3.1Å; S656-T660 PolarHBondContact O-N 2.84Å; S656-T660 PolarHBondContact O-OG1 2.97Å; S656-T660 VanDerWaalsContact O-OG1 3.14Å
657	M	43.4	Very low	47.1	Very low	134 Å²	134	108.5 Å²	108.5	66%	0.66	54%	0.538	S	S	*	.	H	α-helix	trans	-62.8	-36.3	-179.3	-72.4	-145.7	-76.6	0	0	113.1	M653 K659 K661	M653-M657 PolarHBondContact O-N 3.47Å; M657-K659 VanDerWaalsContact C-N 3.33Å; M657-K661 PolarHBondContact O-N 3.27Å; M657-K661 VanDerWaalsContact O-N 3.13Å
658	T	51.4	Low	47.1	Very low	86 Å²	86	112.8 Å²	112.8	53%	0.528	56%	0.556	S	S	.	*	H	α-helix	trans	-70	-34.1	177.5	-40.6	0	0	0	0	111.3	K654 S656 R662	K654-T658 PolarHBondContact O-N 2.93Å; K654-T658 VanDerWaalsContact O-N 3.14Å; K654-T658 PolarHBondContact O-OG1 3.4Å; S656-T658 VanDerWaalsContact C-N 3.31Å; S656-T658 PolarHBondContact O-N 3.32Å; T658-R662 PolarHBondContact O-N 3.47Å
659	K	51.3	Low	46.8	Very low	128 Å²	128	115 Å²	115	56%	0.557	57%	0.565	S	S	*	*	H	α-helix	trans	-67	-45	175.6	-170.2	-179.1	177.1	-174.9	0	111.3	Y655 S656 M657 R662 L663	Y655-K659 PolarHBondContact O-N 2.68Å; Y655-K659 VanDerWaalsContact O-N 3.17Å; S656-K659 WeakPolarHBondContact O-CB 3.31Å; S656-K659 PolarHBondContact O-N 3.14Å; S656-K659 VanDerWaalsContact O-N 3.1Å; M657-K659 VanDerWaalsContact C-N 3.33Å; K659-R662 PolarHBondContact O-N 3.44Å; K659-L663 HydrophobicContact CG-CD1 4.09Å; K659-L663 PolarHBondContact O-N 3.3Å
660	T	50.9	Low	46.6	Very low	71 Å²	71	117.6 Å²	117.6	44%	0.436	58%	0.579	S	S	.	*	H	α-helix	trans	-66.6	-45	-179.2	-49.9	0	0	0	0	112.3	S656 R662 L663 Q664	S656-T660 PolarHBondContact O-N 2.84Å; S656-T660 PolarHBondContact O-OG1 2.97Å; S656-T660 VanDerWaalsContact O-OG1 3.14Å; T660-R662 VanDerWaalsContact C-N 3.34Å; T660-R662 PolarHBondContact O-N 3.47Å; T660-L663 PolarHBondContact O-N 3.22Å; T660-Q664 PolarHBondContact O-N 3.4Å
661	K	53.8	Low	46.6	Very low	157 Å²	157	122 Å²	122	68%	0.683	60%	0.597	S	S	*	*	H	α-helix	trans	-61.2	-38.4	176.1	-86.6	-172.4	174.6	-178	0	112.9	M657 Q665	M657-K661 PolarHBondContact O-N 3.27Å; M657-K661 VanDerWaalsContact O-N 3.13Å; K661-Q665 PolarHBondContact O-N 3.46Å
662	R	49.4	Very low	46.2	Very low	100 Å²	100	126.5 Å²	126.5	38%	0.377	61%	0.612	S	S	.	*	H	α-helix	trans	-73.4	-34	176.6	-94.2	-178.1	172.1	174.4	-3.9	113.2	T658 K659 T660 Q664 Q665 L666 N688	T658-R662 PolarHBondContact O-N 3.47Å; K659-R662 PolarHBondContact O-N 3.44Å; T660-R662 VanDerWaalsContact C-N 3.34Å; T660-R662 PolarHBondContact O-N 3.47Å; R662-Q664 VanDerWaalsContact C-N 3.35Å; R662-Q665 PolarHBondContact O-N 3.04Å; R662-L666 WeakPolarHBondContact O-CB 3.32Å; R662-L666 WeakPolarHBondContact O-CD1 3.29Å; R662-L666 VanDerWaalsContact O-CG 3.26Å; R662-L666 WeakPolarHBondContact O-CG 3.31Å; R662-L666 PolarHBondContact O-N 3.01Å; R662-N688 PolarHBondContact NH1-OD1 2.84Å
663	L	52.8	Low	46.2	Very low	90 Å²	90	126.9 Å²	126.9	47%	0.471	61%	0.614	S	S	.	*	H	α-helix	trans	-63	-42	172.6	-93.4	153.1	0	0	0	111.4	K659 T660 L666 Q667	K659-L663 HydrophobicContact CG-CD1 4.09Å; K659-L663 PolarHBondContact O-N 3.3Å; T660-L663 PolarHBondContact O-N 3.22Å; L663-L666 PolarHBondContact O-N 2.91Å; L663-Q667 WeakPolarHBondContact O-CG 3.36Å; L663-Q667 PolarHBondContact O-N 2.98Å
664	Q	52.4	Low	46.5	Very low	114 Å²	114	129 Å²	129	53%	0.533	62%	0.623	S	S	.	*	H	α-helix	trans	-65.4	-38.7	174.5	-74	174.8	-26.5	0	0	112.4	T660 R662	T660-Q664 PolarHBondContact O-N 3.4Å; R662-Q664 VanDerWaalsContact C-N 3.35Å
665	Q	48.1	Very low	46.5	Very low	141 Å²	141	131 Å²	131	66%	0.659	63%	0.631	S	S	*	*	H	α-helix	trans	-68.1	-36.4	174.3	-109.1	173.3	-15.6	0	0	113.2	K661 R662 H668	K661-Q665 PolarHBondContact O-N 3.46Å; R662-Q665 PolarHBondContact O-N 3.04Å; Q665-H668 PolarHBondContact O-N 3.36Å
666	L	45.9	Very low	46.5	Very low	88 Å²	88	128.9 Å²	128.9	46%	0.461	63%	0.63	S	S	.	*	H	α-helix	trans	-71.9	-29.7	178.2	-76.5	164	0	0	0	112.7	R662 L663 H668 T669 L680	R662-L666 WeakPolarHBondContact O-CB 3.32Å; R662-L666 WeakPolarHBondContact O-CD1 3.29Å; R662-L666 VanDerWaalsContact O-CG 3.26Å; R662-L666 WeakPolarHBondContact O-CG 3.31Å; R662-L666 PolarHBondContact O-N 3.01Å; L663-L666 PolarHBondContact O-N 2.91Å; L666-H668 PolarHBondContact O-N 3.33Å; L666-T669 PolarHBondContact O-N 3.03Å; L666-L680 HydrophobicContact CD2-CD2 4.42Å
667	Q	49.1	Very low	46.7	Very low	159 Å²	159	132 Å²	132	74%	0.743	64%	0.637	S	S	*	*	H	α-helix	trans	-67	-20.4	174.7	-78	176.6	-28.1	0	0	112.9	L663	L663-Q667 WeakPolarHBondContact O-CG 3.36Å; L663-Q667 PolarHBondContact O-N 2.98Å
668	H	44.1	Very low	47.4	Very low	177 Å²	177	133.5 Å²	133.5	82%	0.819	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-8	178.5	-94.9	-67.9	0	0	0	115.2	Q665 L666	Q665-H668 PolarHBondContact O-N 3.36Å; L666-H668 PolarHBondContact O-N 3.33Å
669	T	37.1	Very low	47.7	Very low	93 Å²	93	132.7 Å²	132.7	57%	0.571	64%	0.638	S	S	*	*	S	Bend	trans	-121	97.9	-177.5	56.5	0	0	0	0	113	L666	L666-T669 PolarHBondContact O-N 3.03Å
670	N	37.4	Very low	47.8	Very low	158 Å²	158	130.9 Å²	130.9	85%	0.845	63%	0.634	S	S	*	*			trans	71.8	109.9	150.4	-73.3	-17.8	0	0	0	121.5	H672	N670-H672 PolarHBondContact O-N 3.49Å
671	K	41.2	Very low	48.2	Very low	203 Å²	203	134.3 Å²	134.3	88%	0.883	65%	0.645	S	S	*	*			trans	-53.5	104.2	139.9	-77.1	175.1	171.9	177.1	0	109.9
672	H	39.2	Very low	48.8	Very low	169 Å²	169	132.7 Å²	132.7	78%	0.782	64%	0.643	S	S	*	*			trans	161	137.5	138.8	-98.4	-80.5	0	0	0	111	N670	N670-H672 PolarHBondContact O-N 3.49Å
673	N	42.1	Very low	49.5	Very low	112 Å²	112	133.6 Å²	133.6	60%	0.599	66%	0.655	S	S	*	*			trans	85.5	83.4	163.7	-57.6	-15.5	0	0	0	117.6	K675 N676	N673-K675 PolarHBondContact O-N 3.35Å; N673-N676 PolarHBondContact O-N 2.98Å; N673-N676 VanDerWaalsContact O-N 3.08Å
674	E	49.3	Very low	49.9	Very low	166 Å²	166	131.9 Å²	131.9	78%	0.776	65%	0.648	S	S	*	*	H	α-helix	trans	-47.5	-28.3	172.7	-73.1	-178.1	134.2	0	0	115	N676 Q677	E674-N676 VanDerWaalsContact C-N 3.32Å; E674-N676 PolarHBondContact O-N 2.73Å; E674-Q677 VanDerWaalsContact O-CB 3.29Å; E674-Q677 WeakPolarHBondContact O-CB 3.24Å; E674-Q677 PolarHBondContact O-N 2.99Å; E674-Q677 VanDerWaalsContact O-N 3.15Å
675	K	48.1	Very low	50.5	Low	192 Å²	192	128.6 Å²	128.6	84%	0.835	64%	0.638	S	S	*	*	H	α-helix	trans	-69.9	-28.6	-178.7	-139.2	175.2	-174.8	179.1	0	112.7	N673 Q677	N673-K675 PolarHBondContact O-N 3.35Å; K675-Q677 VanDerWaalsContact C-N 3.32Å
676	N	45.5	Very low	51.1	Low	103 Å²	103	124.5 Å²	124.5	55%	0.551	63%	0.627	S	S	*	*	H	α-helix	trans	-76.5	-21.4	173.5	-75.4	-17.4	0	0	0	112.4	N673 E674 S679 L680	N673-N676 PolarHBondContact O-N 2.98Å; N673-N676 VanDerWaalsContact O-N 3.08Å; E674-N676 VanDerWaalsContact C-N 3.32Å; E674-N676 PolarHBondContact O-N 2.73Å; N676-S679 PolarHBondContact O-N 3.34Å; N676-L680 WeakPolarHBondContact O-CB 3.31Å; N676-L680 PolarHBondContact O-N 2.87Å
677	Q	48.8	Very low	51.8	Low	131 Å²	131	122.4 Å²	122.4	61%	0.612	62%	0.62	S	S	*	*	H	α-helix	trans	-68.9	-39.3	-172.8	-152.4	172.6	3.3	0	0	112.4	E674 K675 L680 Q681	E674-Q677 VanDerWaalsContact O-CB 3.29Å; E674-Q677 WeakPolarHBondContact O-CB 3.24Å; E674-Q677 PolarHBondContact O-N 2.99Å; E674-Q677 VanDerWaalsContact O-N 3.15Å; K675-Q677 VanDerWaalsContact C-N 3.32Å; Q677-L680 PolarHBondContact O-N 3.47Å; Q677-Q681 WeakPolarHBondContact O-CB 3.45Å; Q677-Q681 PolarHBondContact O-N 3.29Å
678	K	57.3	Low	52.1	Low	166 Å²	166	117.8 Å²	117.8	72%	0.722	60%	0.601	S	S	*	*	H	α-helix	trans	-65.9	-43	174.7	-82.4	-175.9	177.3	176.6	0	112.4	L680 Q681 L682	K678-L680 VanDerWaalsContact C-N 3.34Å; K678-Q681 PolarHBondContact O-N 3.38Å; K678-L682 PolarHBondContact O-N 3.47Å
679	S	57.9	Low	52.9	Low	69 Å²	69	118.1 Å²	118.1	48%	0.483	60%	0.595	S	S	.	*	H	α-helix	trans	-63.3	-41.3	175.9	-52.3	0	0	0	0	111.3	N676 L682 L683	N676-S679 PolarHBondContact O-N 3.34Å; S679-L682 PolarHBondContact O-N 2.84Å; S679-L683 PolarHBondContact O-N 3Å
680	L	53.5	Low	54.2	Low	89 Å²	89	119.1 Å²	119.1	47%	0.466	60%	0.596	S	S	.	*	H	α-helix	trans	-63	-42.2	174	-119.6	88.8	0	0	0	111.9	L666 N676 Q677 K678 L682 L683 V684	L666-L680 HydrophobicContact CD2-CD2 4.42Å; N676-L680 WeakPolarHBondContact O-CB 3.31Å; N676-L680 PolarHBondContact O-N 2.87Å; Q677-L680 PolarHBondContact O-N 3.47Å; K678-L680 VanDerWaalsContact C-N 3.34Å; L680-L682 VanDerWaalsContact C-N 3.33Å; L680-L682 PolarHBondContact O-N 2.82Å; L680-L683 PolarHBondContact O-N 2.99Å; L680-V684 WeakPolarHBondContact O-CB 3.49Å; L680-V684 VanDerWaalsContact O-CG2 3.29Å; L680-V684 WeakPolarHBondContact O-CG2 3.46Å; L680-V684 PolarHBondContact O-N 3.14Å
681	Q	60.3	Low	55	Low	143 Å²	143	117.2 Å²	117.2	67%	0.668	58%	0.582	S	S	*	*	H	α-helix	trans	-63	-40.8	179.7	-135.9	175.9	7.1	0	0	111.6	Q677 K678 V684 S685	Q677-Q681 WeakPolarHBondContact O-CB 3.45Å; Q677-Q681 PolarHBondContact O-N 3.29Å; K678-Q681 PolarHBondContact O-N 3.38Å; Q681-V684 PolarHBondContact O-N 3.43Å; Q681-S685 WeakPolarHBondContact O-CB 3.46Å; Q681-S685 PolarHBondContact O-N 3.48Å
682	L	66.3	Low	55.8	Low	124 Å²	124	112.8 Å²	112.8	65%	0.649	57%	0.567	S	S	*	*	H	α-helix	trans	-63	-46.4	173.3	-99.4	149.5	0	0	0	111.7	K678 S679 L680 V684 S685 A686	K678-L682 PolarHBondContact O-N 3.47Å; S679-L682 PolarHBondContact O-N 2.84Å; L680-L682 VanDerWaalsContact C-N 3.33Å; L680-L682 PolarHBondContact O-N 2.82Å; L682-V684 PolarHBondContact O-N 2.66Å; L682-S685 PolarHBondContact O-N 3.26Å; L682-S685 PolarHBondContact O-OG 2.89Å; L682-A686 PolarHBondContact O-N 3.2Å
683	L	62.2	Low	56.8	Low	119 Å²	119	111.8 Å²	111.8	62%	0.623	56%	0.561	S	S	*	*	H	α-helix	trans	-61.1	-43.3	175.9	-83.9	162.4	0	0	0	112.7	S679 L680 S685 A686 S687	S679-L683 PolarHBondContact O-N 3Å; L680-L683 PolarHBondContact O-N 2.99Å; L683-S685 VanDerWaalsContact C-N 3.33Å; L683-S685 PolarHBondContact O-N 2.94Å; L683-A686 PolarHBondContact O-N 3.31Å; L683-S687 WeakPolarHBondContact O-CB 3.3Å; L683-S687 PolarHBondContact O-N 2.77Å
684	V	62.6	Low	57.6	Low	53 Å²	53	110.8 Å²	110.8	32%	0.321	56%	0.555	S	S	.	*	H	α-helix	trans	-61.6	-42.9	175.3	170.4	0	0	0	0	110.4	L680 Q681 L682 A686 S687 N688	L680-V684 WeakPolarHBondContact O-CB 3.49Å; L680-V684 VanDerWaalsContact O-CG2 3.29Å; L680-V684 WeakPolarHBondContact O-CG2 3.46Å; L680-V684 PolarHBondContact O-N 3.14Å; Q681-V684 PolarHBondContact O-N 3.43Å; L682-V684 PolarHBondContact O-N 2.66Å; V684-A686 PolarHBondContact O-N 3.49Å; V684-S687 PolarHBondContact O-N 3.27Å; V684-N688 WeakPolarHBondContact O-CB 3.33Å; V684-N688 PolarHBondContact O-N 3.45Å; V684-N688 PolarHBondContact O-ND2 2.88Å
685	S	65.2	Low	57.6	Low	46 Å²	46	105.4 Å²	105.4	32%	0.322	54%	0.539	S	S	.	.	H	α-helix	trans	-64.7	-39.4	178	82.6	0	0	0	0	112.6	Q681 L682 L683 R689	Q681-S685 WeakPolarHBondContact O-CB 3.46Å; Q681-S685 PolarHBondContact O-N 3.48Å; L682-S685 PolarHBondContact O-N 3.26Å; L682-S685 PolarHBondContact O-OG 2.89Å; L683-S685 VanDerWaalsContact C-N 3.33Å; L683-S685 PolarHBondContact O-N 2.94Å; S685-R689 WeakPolarHBondContact O-CG 3.39Å; S685-R689 PolarHBondContact O-N 3.45Å; S685-R689 VanDerWaalsContact O-N 3.1Å
686	A	60.9	Low	57.9	Low	54 Å²	54	101.3 Å²	101.3	45%	0.446	53%	0.525	S	S	.	.	H	α-helix	trans	-69.2	-44.6	177.8	0	0	0	0	0	111.6	L682 L683 V684 N688 R689 L690	L682-A686 PolarHBondContact O-N 3.2Å; L683-A686 PolarHBondContact O-N 3.31Å; V684-A686 PolarHBondContact O-N 3.49Å; A686-N688 VanDerWaalsContact C-N 3.35Å; A686-N688 PolarHBondContact O-N 3.07Å; A686-R689 PolarHBondContact O-N 3.44Å; A686-L690 PolarHBondContact O-N 3.38Å
687	S	59.2	Low	58.4	Low	44 Å²	44	105.1 Å²	105.1	31%	0.308	53%	0.532	S	S	.	.	H	α-helix	trans	-59.3	-44.5	175.1	-175.8	0	0	0	0	111.5	L683 V684 R689 L690 Q691	L683-S687 WeakPolarHBondContact O-CB 3.3Å; L683-S687 PolarHBondContact O-N 2.77Å; V684-S687 PolarHBondContact O-N 3.27Å; S687-R689 PolarHBondContact O-N 2.89Å; S687-L690 PolarHBondContact O-N 3.46Å; S687-Q691 WeakPolarHBondContact O-CB 3.32Å; S687-Q691 WeakPolarHBondContact O-CG 3.4Å; S687-Q691 PolarHBondContact O-N 3.4Å
688	N	56.3	Low	58.7	Low	63 Å²	63	102.6 Å²	102.6	34%	0.337	53%	0.525	S	S	.	.	H	α-helix	trans	-63	-39	177.2	-71	-14.4	0	0	0	112.2	R662 V684 A686 L692	R662-N688 PolarHBondContact NH1-OD1 2.84Å; V684-N688 WeakPolarHBondContact O-CB 3.33Å; V684-N688 PolarHBondContact O-N 3.45Å; V684-N688 PolarHBondContact O-ND2 2.88Å; A686-N688 VanDerWaalsContact C-N 3.35Å; A686-N688 PolarHBondContact O-N 3.07Å; N688-L692 WeakPolarHBondContact O-CB 3.43Å; N688-L692 PolarHBondContact O-N 2.99Å
689	R	61.3	Low	58.4	Low	184 Å²	184	97.8 Å²	97.8	69%	0.694	51%	0.508	S	S	*	.	H	α-helix	trans	-65.9	-37.8	174.6	-73.1	-179.1	-161.1	-143.4	5.3	112.2	S685 A686 S687 K693	S685-R689 WeakPolarHBondContact O-CG 3.39Å; S685-R689 PolarHBondContact O-N 3.45Å; S685-R689 VanDerWaalsContact O-N 3.1Å; A686-R689 PolarHBondContact O-N 3.44Å; S687-R689 PolarHBondContact O-N 2.89Å; R689-K693 WeakPolarHBondContact O-CG 3.33Å; R689-K693 PolarHBondContact O-N 3.27Å; R689-K693 VanDerWaalsContact O-N 3.15Å
690	L	63.3	Low	58.4	Low	113 Å²	113	102 Å²	102	59%	0.592	51%	0.513	S	S	*	.	H	α-helix	trans	-68.3	-45.2	177.8	-163.4	80.3	0	0	0	111.6	A686 S687 L692 K693 L694	A686-L690 PolarHBondContact O-N 3.38Å; S687-L690 PolarHBondContact O-N 3.46Å; L690-L692 PolarHBondContact O-N 2.83Å; L690-K693 PolarHBondContact O-N 2.92Å; L690-L694 HydrophobicContact CG-CD1 4.47Å; L690-L694 WeakPolarHBondContact O-CG 3.48Å; L690-L694 PolarHBondContact O-N 2.75Å
691	Q	53.4	Low	58.5	Low	119 Å²	119	102 Å²	102	56%	0.556	51%	0.513	S	S	*	.	H	α-helix	trans	-59.7	-43.9	176.1	-79.1	-80.6	-20.9	0	0	111.9	S687 K693 L694 A695	S687-Q691 WeakPolarHBondContact O-CB 3.32Å; S687-Q691 WeakPolarHBondContact O-CG 3.4Å; S687-Q691 PolarHBondContact O-N 3.4Å; Q691-K693 PolarHBondContact O-N 2.96Å; Q691-L694 PolarHBondContact O-N 2.8Å; Q691-A695 WeakPolarHBondContact O-CB 3.33Å; Q691-A695 PolarHBondContact O-N 2.92Å
692	L	59.4	Low	58.5	Low	109 Å²	109	99 Å²	99	57%	0.571	50%	0.501	S	S	*	.	H	α-helix	trans	-62.5	-42.1	175.8	-174.5	65.3	0	0	0	111.8	N688 L690 A695 I696	N688-L692 WeakPolarHBondContact O-CB 3.43Å; N688-L692 PolarHBondContact O-N 2.99Å; L690-L692 PolarHBondContact O-N 2.83Å; L692-A695 PolarHBondContact O-N 2.91Å; L692-I696 HydrophobicContact CD1-CD1 4.31Å; L692-I696 HydrophobicContact CG-CD1 3.99Å; L692-I696 WeakPolarHBondContact O-CB 3.45Å; L692-I696 WeakPolarHBondContact O-CD1 3.21Å; L692-I696 WeakPolarHBondContact O-CG1 3.37Å; L692-I696 PolarHBondContact O-N 3.44Å
693	K	59.7	Low	58.2	Low	148 Å²	148	97.7 Å²	97.7	64%	0.643	49%	0.494	S	S	*	.	H	α-helix	trans	-62.5	-41.8	175.2	-78.3	-178.7	177.4	-177.7	0	112.2	R689 L690 Q691 R697	R689-K693 WeakPolarHBondContact O-CG 3.33Å; R689-K693 PolarHBondContact O-N 3.27Å; R689-K693 VanDerWaalsContact O-N 3.15Å; L690-K693 PolarHBondContact O-N 2.92Å; Q691-K693 PolarHBondContact O-N 2.96Å; K693-R697 WeakPolarHBondContact O-CB 3.21Å; K693-R697 PolarHBondContact O-N 3Å
694	L	59.1	Low	58	Low	91 Å²	91	95.3 Å²	95.3	48%	0.476	48%	0.484	S	S	.	.	H	α-helix	trans	-64.9	-48.2	176	-74.3	167.8	0	0	0	111	L690 Q691 I696 R697 T698	L690-L694 HydrophobicContact CG-CD1 4.47Å; L690-L694 WeakPolarHBondContact O-CG 3.48Å; L690-L694 PolarHBondContact O-N 2.75Å; Q691-L694 PolarHBondContact O-N 2.8Å; L694-I696 VanDerWaalsContact C-N 3.33Å; L694-I696 PolarHBondContact O-N 3.43Å; L694-R697 CarbonylContact O-C 3.57Å; L694-R697 WeakPolarHBondContact O-CA 3.46Å; L694-R697 WeakPolarHBondContact O-CB 3.5Å; L694-R697 PolarHBondContact O-N 3.38Å; L694-T698 PolarHBondContact O-OG1 3.43Å; L694-T698 PolarHBondContact O-N 3.48Å
695	A	49.4	Very low	57.9	Low	54 Å²	54	97.4 Å²	97.4	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-57.7	-44	177.6	0	0	0	0	0	112.1	Q691 L692 R697 T698 N699	Q691-A695 WeakPolarHBondContact O-CB 3.33Å; Q691-A695 PolarHBondContact O-N 2.92Å; L692-A695 PolarHBondContact O-N 2.91Å; A695-R697 PolarHBondContact O-N 2.89Å; A695-R697 VanDerWaalsContact C-N 3.32Å; A695-T698 PolarHBondContact O-N 3.17Å; A695-N699 WeakPolarHBondContact O-CB 3.42Å; A695-N699 PolarHBondContact O-N 2.93Å
696	I	55.3	Low	57.7	Low	105 Å²	105	100.5 Å²	100.5	54%	0.538	50%	0.503	S	S	.	.	H	α-helix	trans	-61.8	-40.7	174.7	-68.6	166.2	0	0	0	110.9	L692 L694 R700	L692-I696 HydrophobicContact CD1-CD1 4.31Å; L692-I696 HydrophobicContact CG-CD1 3.99Å; L692-I696 WeakPolarHBondContact O-CB 3.45Å; L692-I696 WeakPolarHBondContact O-CD1 3.21Å; L692-I696 WeakPolarHBondContact O-CG1 3.37Å; L692-I696 PolarHBondContact O-N 3.44Å; L694-I696 VanDerWaalsContact C-N 3.33Å; L694-I696 PolarHBondContact O-N 3.43Å; I696-R700 WeakPolarHBondContact O-CB 3.44Å; I696-R700 PolarHBondContact O-N 2.82Å
697	R	55.4	Low	57.7	Low	183 Å²	183	101.5 Å²	101.5	69%	0.691	51%	0.506	S	S	*	.	H	α-helix	trans	-67.5	-42.6	178.1	-167.9	170	-177.3	142.2	-1.7	112.1	K693 L694 A695 R700 N701	K693-R697 WeakPolarHBondContact O-CB 3.21Å; K693-R697 PolarHBondContact O-N 3Å; L694-R697 CarbonylContact O-C 3.57Å; L694-R697 WeakPolarHBondContact O-CA 3.46Å; L694-R697 WeakPolarHBondContact O-CB 3.5Å; L694-R697 PolarHBondContact O-N 3.38Å; A695-R697 PolarHBondContact O-N 2.89Å; A695-R697 VanDerWaalsContact C-N 3.32Å; R697-R700 PolarHBondContact O-N 2.89Å; R697-N701 PolarHBondContact O-N 3.3Å
698	T	54.5	Low	58.2	Low	78 Å²	78	104 Å²	104	48%	0.479	52%	0.515	S	S	.	.	H	α-helix	trans	-64.3	-44.3	176.2	-43.4	0	0	0	0	110.9	L694 A695 R700 N701 I702	L694-T698 PolarHBondContact O-OG1 3.43Å; L694-T698 PolarHBondContact O-N 3.48Å; A695-T698 PolarHBondContact O-N 3.17Å; T698-R700 VanDerWaalsContact C-N 3.31Å; T698-R700 PolarHBondContact O-N 3.34Å; T698-N701 PolarHBondContact O-N 2.9Å; T698-N701 VanDerWaalsContact O-N 3.17Å; T698-I702 HydrophobicContact CG2-CD1 4.25Å; T698-I702 PolarHBondContact O-N 3.28Å; T698-I702 WeakPolarHBondContact O-CG1 3.32Å
699	N	52.2	Low	58.6	Low	66 Å²	66	106.4 Å²	106.4	35%	0.353	53%	0.527	S	S	.	.	H	α-helix	trans	-65.3	-37.8	178.9	-141.5	3.1	0	0	0	111.3	A695 I702 I703	A695-N699 WeakPolarHBondContact O-CB 3.42Å; A695-N699 PolarHBondContact O-N 2.93Å; N699-I702 PolarHBondContact O-N 2.93Å; N699-I703 VanDerWaalsContact O-CG1 3.31Å; N699-I703 WeakPolarHBondContact O-CG1 3.24Å; N699-I703 PolarHBondContact O-N 3.2Å
700	R	55.9	Low	58.6	Low	158 Å²	158	104.9 Å²	104.9	60%	0.596	53%	0.526	S	S	*	.	H	α-helix	trans	-59.9	-47.1	172	-160.1	174.6	-176.1	175	0.6	111.1	I696 R697 T698 I702 I703 T704	I696-R700 WeakPolarHBondContact O-CB 3.44Å; I696-R700 PolarHBondContact O-N 2.82Å; R697-R700 PolarHBondContact O-N 2.89Å; T698-R700 VanDerWaalsContact C-N 3.31Å; T698-R700 PolarHBondContact O-N 3.34Å; R700-I702 PolarHBondContact O-N 3.37Å; R700-I703 PolarHBondContact O-N 2.85Å; R700-T704 PolarHBondContact O-N 2.97Å; R700-T704 PolarHBondContact O-OG1 3.17Å
701	N	56.9	Low	58.4	Low	88 Å²	88	105.7 Å²	105.7	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-62.9	-39.1	177	-72.3	-7.1	0	0	0	113.2	R697 T698 T704 N705	R697-N701 PolarHBondContact O-N 3.3Å; T698-N701 PolarHBondContact O-N 2.9Å; T698-N701 VanDerWaalsContact O-N 3.17Å; N701-T704 PolarHBondContact O-N 3.02Å; N701-N705 VanDerWaalsContact O-CG 3.3Å; N701-N705 PolarHBondContact O-N 3.43Å; N701-N705 WeakPolarHBondContact O-CB 3.41Å
702	I	59.3	Low	58.7	Low	79 Å²	79	103.1 Å²	103.1	41%	0.405	51%	0.514	S	S	.	.	H	α-helix	trans	-61.7	-46.8	176	-69.3	165.6	0	0	0	110.3	T698 N699 R700 T704 N705 Q706	T698-I702 HydrophobicContact CG2-CD1 4.25Å; T698-I702 PolarHBondContact O-N 3.28Å; T698-I702 WeakPolarHBondContact O-CG1 3.32Å; N699-I702 PolarHBondContact O-N 2.93Å; R700-I702 PolarHBondContact O-N 3.37Å; I702-T704 PolarHBondContact O-N 3.48Å; I702-N705 PolarHBondContact O-N 3.02Å; I702-Q706 WeakPolarHBondContact O-CB 3.47Å; I702-Q706 WeakPolarHBondContact O-CG 3.34Å; I702-Q706 PolarHBondContact O-N 2.97Å
703	I	60.5	Low	58.7	Low	98 Å²	98	100.6 Å²	100.6	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-62	-43.8	177.4	-65.9	166.2	0	0	0	110.3	N699 R700 N705 Q706 C707	N699-I703 VanDerWaalsContact O-CG1 3.31Å; N699-I703 WeakPolarHBondContact O-CG1 3.24Å; N699-I703 PolarHBondContact O-N 3.2Å; R700-I703 PolarHBondContact O-N 2.85Å; I703-N705 PolarHBondContact O-N 3.25Å; I703-Q706 PolarHBondContact O-N 2.89Å; I703-C707 VanDerWaalsContact O-SG 3.34Å; I703-C707 PolarHBondContact O-SG 3.36Å; I703-C707 PolarHBondContact O-N 3.1Å
704	T	58.9	Low	58.6	Low	69 Å²	69	99 Å²	99	42%	0.423	50%	0.5	S	S	.	.	H	α-helix	trans	-61.4	-44.5	176.9	-23.7	0	0	0	0	111.8	R700 N701 I702 C707 I708	R700-T704 PolarHBondContact O-N 2.97Å; R700-T704 PolarHBondContact O-OG1 3.17Å; N701-T704 PolarHBondContact O-N 3.02Å; I702-T704 PolarHBondContact O-N 3.48Å; T704-C707 PolarHBondContact O-N 2.85Å; T704-I708 VanDerWaalsContact O-CG1 3.32Å; T704-I708 WeakPolarHBondContact O-CG1 3.41Å; T704-I708 PolarHBondContact O-N 3.32Å
705	N	60.1	Low	58.7	Low	97 Å²	97	97.5 Å²	97.5	52%	0.519	49%	0.492	S	S	.	.	H	α-helix	trans	-66.4	-38	179.5	-74.2	-7.7	0	0	0	112.2	N701 I702 I703 I708 L709	N701-N705 VanDerWaalsContact O-CG 3.3Å; N701-N705 PolarHBondContact O-N 3.43Å; N701-N705 WeakPolarHBondContact O-CB 3.41Å; I702-N705 PolarHBondContact O-N 3.02Å; I703-N705 PolarHBondContact O-N 3.25Å; N705-I708 PolarHBondContact O-N 2.95Å; N705-L709 WeakPolarHBondContact O-CB 3.48Å; N705-L709 PolarHBondContact O-N 3.4Å
706	Q	60.1	Low	59.4	Low	110 Å²	110	101.2 Å²	101.2	51%	0.514	50%	0.504	S	S	.	.	H	α-helix	trans	-64.1	-43.6	173.4	-76	-174.9	-11.9	0	0	111.4	I702 I703 I708 L709 F710	I702-Q706 WeakPolarHBondContact O-CB 3.47Å; I702-Q706 WeakPolarHBondContact O-CG 3.34Å; I702-Q706 PolarHBondContact O-N 2.97Å; I703-Q706 PolarHBondContact O-N 2.89Å; Q706-I708 VanDerWaalsContact C-N 3.32Å; Q706-I708 PolarHBondContact O-N 3.07Å; Q706-L709 PolarHBondContact O-N 3.09Å; Q706-F710 WeakPolarHBondContact O-CD2 3.45Å; Q706-F710 PolarHBondContact O-N 3.16Å
707	C	62.2	Low	59.4	Low	75 Å²	75	104.9 Å²	104.9	51%	0.507	52%	0.516	S	S	.	.	H	α-helix	trans	-60.6	-40.6	174.8	-71.2	0	0	0	0	112.4	I703 T704 F710 Y711	I703-C707 VanDerWaalsContact O-SG 3.34Å; I703-C707 PolarHBondContact O-SG 3.36Å; I703-C707 PolarHBondContact O-N 3.1Å; T704-C707 PolarHBondContact O-N 2.85Å; C707-F710 PolarHBondContact O-N 3.38Å; C707-Y711 WeakPolarHBondContact O-CB 3.44Å; C707-Y711 PolarHBondContact O-N 3.15Å
708	I	69	Low	59.5	Low	96 Å²	96	101.9 Å²	101.9	49%	0.492	51%	0.513	S	S	.	.	H	α-helix	trans	-64.1	-46.4	176	-67.4	164.7	0	0	0	110.5	T704 N705 Q706 F710 Y711 T712	T704-I708 VanDerWaalsContact O-CG1 3.32Å; T704-I708 WeakPolarHBondContact O-CG1 3.41Å; T704-I708 PolarHBondContact O-N 3.32Å; N705-I708 PolarHBondContact O-N 2.95Å; Q706-I708 VanDerWaalsContact C-N 3.32Å; Q706-I708 PolarHBondContact O-N 3.07Å; I708-F710 VanDerWaalsContact C-N 3.34Å; I708-F710 PolarHBondContact O-N 3.15Å; I708-Y711 PolarHBondContact O-N 3.1Å; I708-T712 HydrophobicContact CG2-CG2 4.33Å; I708-T712 WeakPolarHBondContact O-CG2 3.47Å; I708-T712 PolarHBondContact O-N 3.12Å; I708-T712 PolarHBondContact O-OG1 3.12Å
709	L	65.3	Low	59.1	Low	115 Å²	115	108.6 Å²	108.6	60%	0.602	54%	0.536	S	S	*	.	H	α-helix	trans	-61	-39.5	177.5	-84.6	162.1	0	0	0	113	N705 Q706 T712 A713	N705-L709 WeakPolarHBondContact O-CB 3.48Å; N705-L709 PolarHBondContact O-N 3.4Å; Q706-L709 PolarHBondContact O-N 3.09Å; L709-T712 WeakPolarHBondContact CA-OG1 3.49Å; L709-T712 PolarHBondContact O-OG1 3.01Å; L709-A713 VanDerWaalsContact O-CB 3.24Å; L709-A713 WeakPolarHBondContact O-CB 3.5Å; L709-A713 PolarHBondContact O-N 3.16Å
710	F	60	Low	59.5	Low	152 Å²	152	110.8 Å²	110.8	67%	0.667	55%	0.545	S	S	*	.	H	α-helix	trans	-66.1	-40.7	174.4	-93	-78	0	0	0	111.8	Q706 C707 I708 Y714	Q706-F710 WeakPolarHBondContact O-CD2 3.45Å; Q706-F710 PolarHBondContact O-N 3.16Å; C707-F710 PolarHBondContact O-N 3.38Å; I708-F710 VanDerWaalsContact C-N 3.34Å; I708-F710 PolarHBondContact O-N 3.15Å; F710-Y714 WeakPolarHBondContact O-CB 3.38Å; F710-Y714 PolarHBondContact O-N 3.04Å
711	Y	59.4	Low	59.7	Low	130 Å²	130	108.3 Å²	108.3	51%	0.51	54%	0.542	S	S	.	.	H	α-helix	trans	-67.9	-42.4	178.2	-168.1	-102.2	0	0	0	112	M14 C707 I708 Y714 I715	M14-Y711 HydrophobicContact CE-CD2 4.46Å; M14-Y711 HydrophobicContact CE-CE2 4.35Å; C707-Y711 WeakPolarHBondContact O-CB 3.44Å; C707-Y711 PolarHBondContact O-N 3.15Å; I708-Y711 PolarHBondContact O-N 3.1Å; Y711-Y714 PolarHBondContact O-N 3.25Å; Y711-I715 PolarHBondContact O-N 2.74Å; Y711-I715 WeakPolarHBondContact O-CG1 3.44Å; Y711-I715 HydrophobicContact CE1-CG1 4Å; Y711-I715 HydrophobicContact CD1-CG1 4.3Å; Y711-I715 HydrophobicContact CD1-CD1 3.87Å; Y711-I715 HydrophobicContact CE1-CD1 3.23Å
712	T	61.4	Low	59.8	Low	64 Å²	64	109.4 Å²	109.4	39%	0.393	55%	0.546	S	S	.	.	H	α-helix	trans	-65	-43.8	175.5	54.1	0	0	0	0	111.3	I708 L709 Y714 I715 L716	I708-T712 HydrophobicContact CG2-CG2 4.33Å; I708-T712 WeakPolarHBondContact O-CG2 3.47Å; I708-T712 PolarHBondContact O-N 3.12Å; I708-T712 PolarHBondContact O-OG1 3.12Å; L709-T712 WeakPolarHBondContact CA-OG1 3.49Å; L709-T712 PolarHBondContact O-OG1 3.01Å; T712-Y714 VanDerWaalsContact C-N 3.3Å; T712-Y714 PolarHBondContact O-N 3.02Å; T712-I715 PolarHBondContact O-N 3.07Å; T712-L716 VanDerWaalsContact O-CB 3.29Å; T712-L716 WeakPolarHBondContact O-CB 3.5Å; T712-L716 WeakPolarHBondContact O-CD1 3.29Å; T712-L716 PolarHBondContact O-N 3Å
713	A	58.9	Low	59.8	Low	57 Å²	57	111.2 Å²	111.2	47%	0.471	56%	0.555	S	S	.	*	H	α-helix	trans	-62.6	-35.2	175.7	0	0	0	0	0	112.8	L709 K717	L709-A713 VanDerWaalsContact O-CB 3.24Å; L709-A713 WeakPolarHBondContact O-CB 3.5Å; L709-A713 PolarHBondContact O-N 3.16Å; A713-K717 WeakPolarHBondContact O-CB 3.37Å; A713-K717 PolarHBondContact O-N 3.42Å
714	Y	57.6	Low	59.8	Low	114 Å²	114	112 Å²	112	45%	0.447	56%	0.558	S	S	.	*	H	α-helix	trans	-73.1	-42.3	176.2	-175.2	-103.4	0	0	0	112.3	F710 Y711 T712 L716 K717 L718	F710-Y714 WeakPolarHBondContact O-CB 3.38Å; F710-Y714 PolarHBondContact O-N 3.04Å; Y711-Y714 PolarHBondContact O-N 3.25Å; T712-Y714 VanDerWaalsContact C-N 3.3Å; T712-Y714 PolarHBondContact O-N 3.02Å; Y714-L716 VanDerWaalsContact C-N 3.35Å; Y714-K717 PolarHBondContact O-N 3.31Å; Y714-K717 VanDerWaalsContact O-N 3.1Å; Y714-L718 HydrophobicContact CD1-CD1 3.76Å; Y714-L718 HydrophobicContact CD1-CG 4.48Å; Y714-L718 HydrophobicContact CE1-CD1 3.29Å; Y714-L718 HydrophobicContact CE1-CG 4.08Å; Y714-L718 PolarHBondContact O-N 2.87Å; Y714-L718 VanDerWaalsContact O-N 3.09Å
715	I	59.8	Low	59.9	Low	60 Å²	60	114.9 Å²	114.9	31%	0.308	57%	0.567	S	S	.	*	H	α-helix	trans	-61.8	-43.1	172.8	-73.7	-166.1	0	0	0	110.9	Y711 T712 K717 L718 F719	Y711-I715 PolarHBondContact O-N 2.74Å; Y711-I715 WeakPolarHBondContact O-CG1 3.44Å; Y711-I715 HydrophobicContact CE1-CG1 4Å; Y711-I715 HydrophobicContact CD1-CG1 4.3Å; Y711-I715 HydrophobicContact CD1-CD1 3.87Å; Y711-I715 HydrophobicContact CE1-CD1 3.23Å; T712-I715 PolarHBondContact O-N 3.07Å; I715-K717 PolarHBondContact O-N 3.39Å; I715-K717 VanDerWaalsContact O-N 3.16Å; I715-L718 PolarHBondContact O-N 2.93Å; I715-F719 HydrophobicContact CG2-CD2 3.66Å; I715-F719 HydrophobicContact CG2-CE2 3.86Å; I715-F719 PolarHBondContact O-N 3.46Å
716	L	63.9	Low	59.9	Low	132 Å²	132	116.1 Å²	116.1	69%	0.691	57%	0.57	S	S	*	*	H	α-helix	trans	-62.5	-16.4	174.2	-94.1	150.6	0	0	0	114.2	T712 Y714	T712-L716 VanDerWaalsContact O-CB 3.29Å; T712-L716 WeakPolarHBondContact O-CB 3.5Å; T712-L716 WeakPolarHBondContact O-CD1 3.29Å; T712-L716 PolarHBondContact O-N 3Å; Y714-L716 VanDerWaalsContact C-N 3.35Å
717	K	55.6	Low	59.8	Low	181 Å²	181	116.6 Å²	116.6	79%	0.787	57%	0.574	S	S	*	*	H	α-helix	trans	-97.7	-16.6	176.4	-159.2	177.6	-176.9	-178	0	112.4	A713 Y714 I715	A713-K717 WeakPolarHBondContact O-CB 3.37Å; A713-K717 PolarHBondContact O-N 3.42Å; Y714-K717 PolarHBondContact O-N 3.31Å; Y714-K717 VanDerWaalsContact O-N 3.1Å; I715-K717 PolarHBondContact O-N 3.39Å; I715-K717 VanDerWaalsContact O-N 3.16Å
718	L	57.7	Low	59.6	Low	121 Å²	121	120.1 Å²	120.1	63%	0.634	58%	0.58	S	S	*	*	H	α-helix	trans	-89.6	-37.3	174.7	-82.6	171.3	0	0	0	112	Y714 I715	Y714-L718 HydrophobicContact CD1-CD1 3.76Å; Y714-L718 HydrophobicContact CD1-CG 4.48Å; Y714-L718 HydrophobicContact CE1-CD1 3.29Å; Y714-L718 HydrophobicContact CE1-CG 4.08Å; Y714-L718 PolarHBondContact O-N 2.87Å; Y714-L718 VanDerWaalsContact O-N 3.09Å; I715-L718 PolarHBondContact O-N 2.93Å
719	F	47.2	Very low	58.8	Low	219 Å²	219	122.3 Å²	122.3	96%	0.961	59%	0.588	S	S	*	*			trans	-67.8	0	158.9	-84.2	-81.8	0	0	0	109.5	I715	I715-F719 HydrophobicContact CG2-CD2 3.66Å; I715-F719 HydrophobicContact CG2-CE2 3.86Å; I715-F719 PolarHBondContact O-N 3.46Å

Retrieved 719 of 719 residues in 582.2 ms (Link to these results)

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