A0A087YLX8_POEFO Loading...

Ribosomal protein S6 kinase

AlphaFold DB , UniProt , Accession A0A087YLX8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 783 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	27.2	Very low	242 Å²	242	136.5 Å²	136.5	100%	1.192	83%	0.827	S	S	*	*				0	107.8	0	-66.3	170.1	168	0	0	105.3
2	S	29.4	Very low	27	Very low	115 Å²	115	133.8 Å²	133.8	80%	0.804	82%	0.818	S	S	*	*			cis	-144.4	155.1	3.3	-56.4	0	0	0	0	106.9
3	G	26.9	Very low	26.9	Very low	65 Å²	65	133.7 Å²	133.7	67%	0.67	81%	0.81	S	S	*	*				65.1	117.1	69	0	0	0	0	0	110.1
4	D	27.8	Very low	26.7	Very low	152 Å²	152	129.6 Å²	129.6	81%	0.813	81%	0.808	S	S	*	*			cis	-161.4	164.5	6.6	-130.7	-36	0	0	0	113.8
5	T	27.5	Very low	26.8	Very low	115 Å²	115	132.3 Å²	132.3	71%	0.706	80%	0.804	S	S	*	*			trans	11.6	155.1	160.4	44.6	0	0	0	0	126.1
6	S	27.3	Very low	26.6	Very low	119 Å²	119	130.9 Å²	130.9	83%	0.832	80%	0.801	S	S	*	*			trans	80.3	153.2	158	74.3	0	0	0	0	118
7	D	24.7	Very low	26.7	Very low	145 Å²	145	132.4 Å²	132.4	78%	0.775	80%	0.803	S	S	*	*			cis	-165.3	162.4	-36.8	-168.1	7.2	0	0	0	106.5
8	S	24.9	Very low	26.6	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	81%	0.808	S	S	*	*			trans	65.9	145.2	168.9	70.8	0	0	0	0	119.6
9	S	26	Very low	26.7	Very low	117 Å²	117	138.9 Å²	138.9	82%	0.818	81%	0.811	S	S	*	*			trans	-62.1	124.3	178.4	48	0	0	0	0	115.2
10	D	24.3	Very low	26.5	Very low	162 Å²	162	136.5 Å²	136.5	87%	0.866	81%	0.808	S	S	*	*			trans	-82.9	115.1	158.8	-96.8	-32.8	0	0	0	110.3
11	D	28.8	Very low	26.4	Very low	164 Å²	164	135.9 Å²	135.9	88%	0.877	81%	0.809	S	S	*	*			trans	-153.7	69.3	158.6	-145.6	-2.9	0	0	0	110
12	S	24.4	Very low	26.1	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	79%	0.789	S	S	*	*			trans	-151.8	121.2	174.3	61.7	0	0	0	0	115.4
13	D	26.4	Very low	26.1	Very low	133 Å²	133	130.8 Å²	130.8	71%	0.711	79%	0.786	S	S	*	*			trans	70.8	112.7	148.4	-108.3	2.2	0	0	0	121	K15	D13-K15 IonicContact OD1-NZ 3.89Å; D13-K15 IonicContact OD2-NZ 2.79Å; D13-K15 PolarHBondContact OD2-NZ 3.39Å
14	G	23.7	Very low	26.1	Very low	76 Å²	76	133 Å²	133	78%	0.784	78%	0.778	S	S	*	*			trans	-156	64.5	173.4	0	0	0	0	0	112.6
15	K	27.6	Very low	26.1	Very low	171 Å²	171	129.2 Å²	129.2	74%	0.743	76%	0.755	S	S	*	*			trans	-63	136.8	-173.4	-66.9	163	176.6	114.5	0	114.3	D13	D13-K15 IonicContact OD1-NZ 3.89Å; D13-K15 IonicContact OD2-NZ 2.79Å; D13-K15 PolarHBondContact OD2-NZ 3.39Å
16	S	23.6	Very low	26.1	Very low	109 Å²	109	127.6 Å²	127.6	76%	0.762	74%	0.74	S	S	*	*			trans	-154.5	88.2	156.3	49.6	0	0	0	0	115.3	E18	S16-E18 PolarHBondContact O-N 2.87Å
17	N	28.2	Very low	26.4	Very low	157 Å²	157	124.1 Å²	124.1	84%	0.84	71%	0.711	S	S	*	*			trans	30.3	86.5	143.4	-77	-28	0	0	0	120
18	E	25.6	Very low	26.6	Very low	192 Å²	192	121.9 Å²	121.9	90%	0.897	70%	0.703	S	S	*	*			trans	-94.7	118	144.4	-74.3	-160.6	139.6	0	0	110.1	S16 A20	S16-E18 PolarHBondContact O-N 2.87Å; E18-A20 PolarHBondContact O-N 3.35Å
19	K	27.5	Very low	27.1	Very low	196 Å²	196	123 Å²	123	85%	0.852	70%	0.7	S	S	*	*			trans	-74.9	88.6	-175.9	-72.5	177.7	178.1	173.2	0	111.2	C21	K19-C21 PolarHBondContact O-N 3.24Å
20	A	24.5	Very low	27.5	Very low	91 Å²	91	118 Å²	118	75%	0.752	67%	0.667	S	S	*	*			trans	-58.8	118.8	169.9	0	0	0	0	0	110.8	E18 T22	E18-A20 PolarHBondContact O-N 3.35Å; A20-T22 PolarHBondContact O-N 2.94Å
21	C	24.1	Very low	27.9	Very low	123 Å²	123	115 Å²	115	83%	0.831	65%	0.651	S	S	*	*			trans	-69.4	112	-174.2	-165.7	0	0	0	0	111.2	K19 V23	K19-C21 PolarHBondContact O-N 3.24Å; C21-V23 PolarHBondContact O-N 3.1Å
22	T	24.5	Very low	28.2	Very low	126 Å²	126	109.9 Å²	109.9	77%	0.773	62%	0.623	S	S	*	*			trans	-79.8	111.3	-175.9	-12.6	0	0	0	0	110.4	A20	A20-T22 PolarHBondContact O-N 2.94Å
23	V	29.9	Very low	28.6	Very low	124 Å²	124	105 Å²	105	75%	0.752	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-96.5	133	167.9	-176.2	0	0	0	0	108.6	C21	C21-V23 PolarHBondContact O-N 3.1Å
24	K	27.3	Very low	28.9	Very low	112 Å²	112	100 Å²	100	49%	0.487	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-93.4	141.1	-167	-55.1	159.1	-172.2	163.9	0	109.3
25	H	26.7	Very low	29.3	Very low	73 Å²	73	97.4 Å²	97.4	34%	0.338	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-78.6	122.1	148.6	-72.6	-61.4	0	0	0	107.3	T89 E91	H25-T89 PolarHBondContact CE1-O 2.7Å; H25-T89 PolarHBondContact NE2-O 3.44Å; H25-E91 IonicContact CG-OE1 3.35Å; H25-E91 IonicContact ND1-OE1 2.87Å; H25-E91 PolarHBondContact ND1-OE1 2.79Å; H25-E91 VanDerWaalsContact ND1-OE1 3.13Å
26	Q	27.5	Very low	29.7	Very low	81 Å²	81	95.7 Å²	95.7	38%	0.379	54%	0.54	S	S	.	.			trans	-122.8	113	-178.6	-121.2	-177	-11.6	0	0	107.2	T28	Q26-T28 HydrophobicContact CB-CG2 3.98Å; Q26-T28 HydrophobicContact CG-CG2 4.17Å; Q26-T28 PolarHBondContact O-N 3.17Å; Q26-T28 PolarHBondContact O-OG1 2.96Å
27	I	34.2	Very low	30.5	Very low	45 Å²	45	93.1 Å²	93.1	23%	0.231	52%	0.516	C	S	.	.			trans	-76.5	73.9	166.7	-50.9	170.2	0	0	0	106.5	N29 A30 Q367 G368 Y369	I27-N29 VanDerWaalsContact C-N 3.3Å; I27-N29 PolarHBondContact O-N 3.32Å; I27-A30 HydrophobicContact CG2-CB 4.18Å; I27-Q367 VanDerWaalsContact O-O 3.05Å; I27-G368 VanDerWaalsContact CB-O 3.26Å; I27-G368 WeakPolarHBondContact CB-O 3.29Å; I27-G368 WeakPolarHBondContact CG2-O 3.39Å; I27-Y369 HydrophobicContact CD1-CD2 3.61Å; I27-Y369 HydrophobicContact CD1-CE2 4.33Å
28	T	29.3	Very low	31.6	Very low	98 Å²	98	96.4 Å²	96.4	60%	0.601	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	91.1	-178.6	27.1	0	0	0	0	109.2	Q26	Q26-T28 HydrophobicContact CB-CG2 3.98Å; Q26-T28 HydrophobicContact CG-CG2 4.17Å; Q26-T28 PolarHBondContact O-N 3.17Å; Q26-T28 PolarHBondContact O-OG1 2.96Å
29	N	34.8	Very low	33.2	Very low	130 Å²	130	88.1 Å²	88.1	70%	0.695	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.9	46.5	168.9	-46.2	-50.2	0	0	0	117.8	I27 N31 L32	I27-N29 VanDerWaalsContact C-N 3.3Å; I27-N29 PolarHBondContact O-N 3.32Å; N29-N31 PolarHBondContact O-N 3.41Å; N29-N31 VanDerWaalsContact O-N 3.1Å; N29-L32 WeakPolarHBondContact O-CD2 3.45Å; N29-L32 WeakPolarHBondContact O-CG 3.3Å
30	A	34.3	Very low	35.2	Very low	13 Å²	13	79.3 Å²	79.3	11%	0.107	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-80.3	83.9	148.7	0	0	0	0	0	110.2	I27 G368 S370	I27-A30 HydrophobicContact CG2-CB 4.18Å; A30-G368 WeakPolarHBondContact CA-O 3.24Å; A30-G368 WeakPolarHBondContact CB-O 3.33Å; A30-G368 PolarHBondContact N-O 2.73Å; A30-G368 CarbonylContact O-C 3.06Å; A30-G368 WeakPolarHBondContact O-CA 3.44Å; A30-S370 CarbonylContact C-O 3.59Å; A30-S370 WeakPolarHBondContact CA-O 3.36Å; A30-S370 WeakPolarHBondContact CB-O 3.48Å; A30-S370 PolarHBondContact O-N 3.13Å
31	N	33.6	Very low	37.7	Very low	99 Å²	99	76.5 Å²	76.5	53%	0.529	42%	0.415	S	S	.	.			trans	-145.5	64.9	132.8	-157.9	14.7	0	0	0	104.9	N29 T33	N29-N31 PolarHBondContact O-N 3.41Å; N29-N31 VanDerWaalsContact O-N 3.1Å; N31-T33 PolarHBondContact O-N 3.49Å; N31-T33 PolarHBondContact OD1-OG1 2.78Å
32	L	34.3	Very low	40.2	Very low	56 Å²	56	77.6 Å²	77.6	29%	0.293	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	22.8	-176.4	-67.1	171.7	0	0	0	113	N29 R97 F371	N29-L32 WeakPolarHBondContact O-CD2 3.45Å; N29-L32 WeakPolarHBondContact O-CG 3.3Å; L32-R97 HydrophobicContact CD1-CB 4.25Å; L32-F371 HydrophobicContact CB-CD2 4.47Å; L32-F371 HydrophobicContact CD1-CD2 3.97Å; L32-F371 HydrophobicContact CD1-CE2 3.98Å
33	T	33.8	Very low	42.7	Very low	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-161.8	22.6	-135.2	61.3	0	0	0	0	113.4	N31 H35 I372 R454	N31-T33 PolarHBondContact O-N 3.49Å; N31-T33 PolarHBondContact OD1-OG1 2.78Å; T33-H35 PolarHBondContact O-N 2.84Å; T33-I372 HydrophobicContact CG2-CB 3.85Å; T33-I372 HydrophobicContact CG2-CG1 4.41Å; T33-I372 WeakPolarHBondContact CG2-O 3.34Å; T33-R454 VanDerWaalsContact CA-CD 3.49Å; T33-R454 VanDerWaalsContact CG2-NH1 3.33Å; T33-R454 PolarHBondContact O-NE 3.18Å
34	G	32.6	Very low	45.2	Very low	28 Å²	28	67.3 Å²	67.3	29%	0.289	34%	0.344	S	S	.	.			trans	-54.6	28.7	-166.4	0	0	0	0	0	120.7	R454	G34-R454 VanDerWaalsContact N-CA 3.33Å
35	H	32	Very low	48	Very low	21 Å²	21	65.7 Å²	65.7	10%	0.097	34%	0.338	C	S	.	.	S	Bend	trans	-51.8	153.9	141	-59.4	-43.2	0	0	0	111.5	T33 E37 L377 R454	T33-H35 PolarHBondContact O-N 2.84Å; H35-E37 HydrophobicContact CB-CB 4.25Å; H35-L377 VanDerWaalsContact NE2-CD1 3.31Å; H35-L377 WeakPolarHBondContact NE2-CD1 3.39Å; H35-L377 WeakPolarHBondContact NE2-CD2 3.39Å; H35-R454 PolarHBondContact CD2-NE 2.79Å; H35-R454 PolarHBondContact NE2-NE 2.78Å
36	T	35.9	Very low	50.7	Low	135 Å²	135	64.3 Å²	64.3	83%	0.828	33%	0.333	S	S	*	.	S	Bend	trans	-84.9	14.1	164.4	47.6	0	0	0	0	113.3	R38	T36-R38 VanDerWaalsContact C-N 3.3Å; T36-R38 PolarHBondContact O-N 3.46Å
37	E	40.2	Very low	53.2	Low	56 Å²	56	62.3 Å²	62.3	26%	0.262	33%	0.325	S	S	.	.			trans	-66.5	92.7	163.4	-95.4	-168	153.5	0	0	108.5	H35 V39 H67 I372	H35-E37 HydrophobicContact CB-CB 4.25Å; E37-V39 VanDerWaalsContact C-N 3.32Å; E37-V39 HydrophobicContact CB-CG2 4.41Å; E37-V39 PolarHBondContact O-N 3.03Å; E37-H67 IonicContact OE2-CE1 2.99Å; E37-I372 HydrophobicContact CB-CD1 4.38Å
38	R	50.8	Low	55.5	Low	226 Å²	226	63.9 Å²	63.9	85%	0.853	33%	0.33	S	S	*	.			trans	-70.2	96.1	161	-73.2	-173.3	179.9	-176.2	2.1	107.4	T36 G40 N43	T36-R38 VanDerWaalsContact C-N 3.3Å; T36-R38 PolarHBondContact O-N 3.46Å; R38-G40 PolarHBondContact O-N 2.76Å; R38-N43 PolarHBondContact O-OD1 2.75Å
39	V	59.7	Low	58	Low	18 Å²	18	59.2 Å²	59.2	11%	0.109	30%	0.301	C	S	.	.			trans	-77.6	112.1	169.1	179.9	0	0	0	0	108.1	E37 N43 F44 Y114 F116 I372	E37-V39 VanDerWaalsContact C-N 3.32Å; E37-V39 HydrophobicContact CB-CG2 4.41Å; E37-V39 PolarHBondContact O-N 3.03Å; V39-N43 WeakPolarHBondContact CA-OD1 3.04Å; V39-F44 HydrophobicContact CG1-CE2 3.52Å; V39-F44 HydrophobicContact CG1-CZ 3.92Å; V39-Y114 HydrophobicContact CB-CD1 4.14Å; V39-Y114 HydrophobicContact CG1-CD1 3.73Å; V39-Y114 HydrophobicContact CG1-CE1 4.27Å; V39-Y114 HydrophobicContact CG1-CG 4.19Å; V39-Y114 HydrophobicContact CG2-CD1 3.8Å; V39-Y114 HydrophobicContact CG2-CE1 3.83Å; V39-F116 HydrophobicContact CG1-CD1 3.99Å; V39-F116 HydrophobicContact CG1-CE1 4.22Å; V39-F116 WeakPolarHBondContact O-CB 3.32Å; V39-F116 WeakPolarHBondContact O-CG 3.33Å; V39-I372 HydrophobicContact CG2-CD1 3.67Å; V39-I372 HydrophobicContact CG2-CG1 4.21Å
40	G	68.8	Low	60	Low	10 Å²	10	53.3 Å²	53.3	10%	0.103	27%	0.269	C	S	.	.			trans	-125.8	-167.7	176.8	0	0	0	0	0	111.7	R38 E42 N43 F44	R38-G40 PolarHBondContact O-N 2.76Å; G40-E42 VanDerWaalsContact C-OE2 3.28Å; G40-E42 WeakPolarHBondContact CA-OE2 3.13Å; G40-E42 PolarHBondContact O-N 2.84Å; G40-N43 PolarHBondContact N-OD1 3.04Å; G40-N43 PolarHBondContact O-N 3.45Å; G40-N43 PolarHBondContact O-OD1 2.78Å; G40-F44 WeakPolarHBondContact O-CD2 3.39Å
41	M	77.1	Confident	61.7	Low	33 Å²	33	53.1 Å²	53.1	16%	0.163	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-66.7	-31.1	177.6	-75.6	-58.5	-56.2	0	0	111.9	N43 F44 L46 M75 F116 H123 Y353	M41-N43 PolarHBondContact O-N 2.96Å; M41-F44 PolarHBondContact O-N 3.43Å; M41-F44 VanDerWaalsContact O-N 3.11Å; M41-L46 HydrophobicContact CE-CD1 3.89Å; M41-L46 HydrophobicContact CE-CD2 4.37Å; M41-L46 HydrophobicContact CE-CG 4.44Å; M41-M75 HydrophobicContact CE-CE 3.92Å; M41-M75 HydrophobicContact CE-SD 3.66Å; M41-M75 HydrophobicContact SD-CE 3.86Å; M41-M75 HydrophobicContact SD-SD 3.68Å; M41-M75 VanDerWaalsContact SD-SD 3.68Å; M41-F116 HydrophobicContact CG-CE2 3.9Å; M41-F116 HydrophobicContact CG-CZ 4.43Å; M41-F116 HydrophobicContact SD-CE2 3.71Å; M41-F116 HydrophobicContact SD-CZ 3.8Å; M41-H123 PolarHBondContact SD-CD2 2.78Å; M41-H123 PolarHBondContact SD-NE2 3.12Å; M41-Y353 HydrophobicContact CE-CD2 3.78Å; M41-Y353 HydrophobicContact CE-CE2 3.88Å; M41-Y353 HydrophobicContact CE-CG 4.46Å; M41-Y353 HydrophobicContact CG-CE2 4.37Å; M41-Y353 HydrophobicContact SD-CD2 4.44Å; M41-Y353 HydrophobicContact SD-CE2 3.92Å
42	E	76.4	Confident	63	Low	145 Å²	145	51.5 Å²	51.5	68%	0.678	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-60.1	-20.6	179.5	59.2	-90.4	-146	0	0	114.1	G40 F44	G40-E42 VanDerWaalsContact C-OE2 3.28Å; G40-E42 WeakPolarHBondContact CA-OE2 3.13Å; G40-E42 PolarHBondContact O-N 2.84Å; E42-F44 VanDerWaalsContact C-N 3.33Å
43	N	77.9	Confident	64.1	Low	26 Å²	26	51.2 Å²	51.2	14%	0.139	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-86.3	-2.3	178.5	-54.1	105.5	0	0	0	113.3	R38 V39 G40 M41 K63 N64 T65	R38-N43 PolarHBondContact O-OD1 2.75Å; V39-N43 WeakPolarHBondContact CA-OD1 3.04Å; G40-N43 PolarHBondContact N-OD1 3.04Å; G40-N43 PolarHBondContact O-N 3.45Å; G40-N43 PolarHBondContact O-OD1 2.78Å; M41-N43 PolarHBondContact O-N 2.96Å; N43-K63 CarbonylContact O-C 3.57Å; N43-K63 WeakPolarHBondContact O-CA 3.46Å; N43-K63 WeakPolarHBondContact O-CG 3.46Å; N43-N64 PolarHBondContact O-N 3.38Å; N43-T65 WeakPolarHBondContact CB-OG1 3.38Å; N43-T65 PolarHBondContact ND2-OG1 3.45Å
44	F	82.3	Confident	64.8	Low	9 Å²	9	55.8 Å²	55.8	4%	0.039	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.4	-173.1	-63.1	-78.9	0	0	0	112.8	V39 G40 M41 E42 V61 R62 K63 Y73 M75 Y114 F116 I125	V39-F44 HydrophobicContact CG1-CE2 3.52Å; V39-F44 HydrophobicContact CG1-CZ 3.92Å; G40-F44 WeakPolarHBondContact O-CD2 3.39Å; M41-F44 PolarHBondContact O-N 3.43Å; M41-F44 VanDerWaalsContact O-N 3.11Å; E42-F44 VanDerWaalsContact C-N 3.33Å; F44-V61 HydrophobicContact CB-CB 4.14Å; F44-V61 HydrophobicContact CB-CG2 4.31Å; F44-V61 HydrophobicContact CD1-CB 4.31Å; F44-V61 HydrophobicContact CD1-CG2 3.66Å; F44-V61 HydrophobicContact CE1-CG2 4.36Å; F44-V61 HydrophobicContact CG-CG2 4.22Å; F44-R62 CarbonylContact C-O 3.58Å; F44-R62 VanDerWaalsContact CA-O 3.27Å; F44-R62 WeakPolarHBondContact CA-O 3.29Å; F44-K63 HydrophobicContact CD1-CB 4.09Å; F44-K63 HydrophobicContact CD1-CG 4.08Å; F44-K63 HydrophobicContact CE1-CB 3.96Å; F44-K63 HydrophobicContact CE1-CD 4.08Å; F44-K63 HydrophobicContact CE1-CG 3.73Å; F44-K63 HydrophobicContact CZ-CD 4.4Å; F44-K63 HydrophobicContact CZ-CG 4.31Å; F44-Y73 HydrophobicContact CE1-CD2 4.28Å; F44-M75 HydrophobicContact CB-CE 3.57Å; F44-M75 HydrophobicContact CD1-CE 4.46Å; F44-M75 HydrophobicContact CD2-CE 3.66Å; F44-M75 HydrophobicContact CE2-CE 4.48Å; F44-M75 HydrophobicContact CG-CE 3.65Å; F44-Y114 HydrophobicContact CZ-CD2 4.04Å; F44-Y114 HydrophobicContact CZ-CE2 4.24Å; F44-Y114 HydrophobicContact CZ-CG 4.4Å; F44-F116 HydrophobicContact CD2-CE1 4.08Å; F44-F116 HydrophobicContact CD2-CZ 4.17Å; F44-F116 AromaticContact CE2-CE1 3.63Å; F44-F116 HydrophobicContact CE2-CE1 3.63Å; F44-F116 HydrophobicContact CE2-CZ 4.18Å; F44-I125 HydrophobicContact CD2-CD1 4.46Å; F44-I125 HydrophobicContact CE1-CD1 4.3Å; F44-I125 HydrophobicContact CE1-CG1 4.33Å; F44-I125 HydrophobicContact CE1-CG2 4.15Å; F44-I125 HydrophobicContact CE2-CD1 4.11Å; F44-I125 HydrophobicContact CE2-CG1 4.12Å; F44-I125 HydrophobicContact CZ-CD1 4.04Å; F44-I125 HydrophobicContact CZ-CG1 3.79Å; F44-I125 HydrophobicContact CZ-CG2 4.29Å
45	E	85.3	Confident	65.6	Low	77 Å²	77	57.2 Å²	57.2	36%	0.36	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	122.9	164.4	175.8	175.6	-136	0	0	109.5	L47 V61 R62 N64	E45-L47 HydrophobicContact CG-CD2 3.8Å; E45-L47 HydrophobicContact CG-CG 4.33Å; E45-L47 PolarHBondContact O-N 2.69Å; E45-V61 CarbonylContact O-C 3.52Å; E45-V61 WeakPolarHBondContact O-CA 3.48Å; E45-V61 WeakPolarHBondContact O-CB 3.08Å; E45-R62 HydrophobicContact CB-CB 4.31Å; E45-R62 PolarHBondContact N-O 2.91Å; E45-R62 PolarHBondContact O-N 2.72Å; E45-R62 IonicContact OE2-CZ 3.53Å; E45-R62 IonicContact OE2-NH1 2.85Å; E45-R62 PolarHBondContact OE2-NH1 3.06Å; E45-N64 VanDerWaalsContact CB-OD1 3.3Å; E45-N64 WeakPolarHBondContact CB-OD1 3.32Å; E45-N64 PolarHBondContact N-OD1 3.1Å
46	L	84.2	Confident	67.1	Low	44 Å²	44	56.9 Å²	56.9	23%	0.23	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	113.1	171.6	-64.8	119.9	0	0	0	109.6	M41 F59 V61 P351	M41-L46 HydrophobicContact CE-CD1 3.89Å; M41-L46 HydrophobicContact CE-CD2 4.37Å; M41-L46 HydrophobicContact CE-CG 4.44Å; L46-F59 HydrophobicContact CD2-CB 3.91Å; L46-F59 HydrophobicContact CD2-CD1 3.54Å; L46-F59 HydrophobicContact CD2-CD2 3.96Å; L46-F59 HydrophobicContact CD2-CE1 3.92Å; L46-F59 HydrophobicContact CD2-CE2 4.32Å; L46-F59 HydrophobicContact CD2-CG 3.55Å; L46-F59 HydrophobicContact CD2-CZ 4.3Å; L46-V61 HydrophobicContact CD2-CG1 4.36Å; L46-V61 HydrophobicContact CG-CG1 4.3Å; L46-P351 HydrophobicContact CB-CB 4.15Å
47	L	80.8	Confident	68.8	Low	40 Å²	40	52.9 Å²	52.9	21%	0.209	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-52.1	-175.9	-65.1	171.9	0	0	0	112	E45 L60 R62 L72 L337	E45-L47 HydrophobicContact CG-CD2 3.8Å; E45-L47 HydrophobicContact CG-CG 4.33Å; E45-L47 PolarHBondContact O-N 2.69Å; L47-L60 HydrophobicContact CB-CB 4.46Å; L47-L60 HydrophobicContact CB-CD2 4.4Å; L47-L60 HydrophobicContact CB-CG 4.16Å; L47-L60 WeakPolarHBondContact CB-O 3.4Å; L47-L60 HydrophobicContact CD1-CD2 4.37Å; L47-L60 HydrophobicContact CD1-CG 4.09Å; L47-L60 PolarHBondContact N-O 3.43Å; L47-R62 HydrophobicContact CD1-CB 3.82Å; L47-R62 HydrophobicContact CG-CB 4.35Å; L47-L72 HydrophobicContact CD1-CD2 3.54Å; L47-L337 HydrophobicContact CD1-CD2 3.73Å
48	K	82.3	Confident	70.7	Confident	77 Å²	77	51.9 Å²	51.9	34%	0.335	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159.9	-177.9	-68	-167.7	176.6	177.7	0	111.7	F59 L60 V339	K48-F59 CarbonylContact O-C 3.47Å; K48-F59 WeakPolarHBondContact O-CA 3.36Å; K48-F59 WeakPolarHBondContact O-CB 3.18Å; K48-L60 HydrophobicContact CB-CB 4.34Å; K48-L60 PolarHBondContact N-O 3.39Å; K48-L60 PolarHBondContact O-N 3.35Å; K48-V339 HydrophobicContact CD-CB 4.41Å; K48-V339 HydrophobicContact CD-CG1 4.07Å; K48-V339 HydrophobicContact CD-CG2 3.47Å; K48-V339 VanDerWaalsContact CD-CG2 3.47Å
49	V	80.9	Confident	72.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.4	164.2	-172.5	0	0	0	0	107.9	T52 F59 F346 T347 M349	V49-T52 HydrophobicContact CG1-CG2 4.12Å; V49-F59 HydrophobicContact CG2-CD1 3.9Å; V49-F59 HydrophobicContact CG2-CE1 3.81Å; V49-F346 WeakPolarHBondContact CB-O 3.5Å; V49-F346 HydrophobicContact CG1-CB 4.42Å; V49-F346 CarbonylContact O-C 3.47Å; V49-T347 WeakPolarHBondContact O-CA 2.99Å; V49-M349 HydrophobicContact CB-CB 4.32Å; V49-M349 HydrophobicContact CG1-SD 4.49Å; V49-M349 HydrophobicContact CG2-CB 3.99Å
50	L	76.8	Confident	73.5	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-31.2	176.7	-67.5	175.9	0	0	0	112	V58 L60 A74 Y128 V339 F342	L50-V58 HydrophobicContact CB-CG1 4.24Å; L50-V58 HydrophobicContact CD1-CG1 4.47Å; L50-V58 PolarHBondContact N-O 3.17Å; L50-L60 HydrophobicContact CD1-CB 3.91Å; L50-L60 HydrophobicContact CD2-CB 4Å; L50-L60 HydrophobicContact CG-CB 3.85Å; L50-A74 HydrophobicContact CD1-CB 4.35Å; L50-Y128 HydrophobicContact CD1-CD2 3.82Å; L50-Y128 HydrophobicContact CD1-CE2 3.75Å; L50-Y128 HydrophobicContact CD2-CE2 4.03Å; L50-V339 HydrophobicContact CD2-CB 4.4Å; L50-V339 HydrophobicContact CD2-CG1 3.75Å; L50-F342 HydrophobicContact CB-CD1 4.14Å; L50-F342 HydrophobicContact CB-CE1 4.15Å; L50-F342 HydrophobicContact CD1-CE1 4.39Å; L50-F342 HydrophobicContact CD1-CZ 4.32Å; L50-F342 HydrophobicContact CD2-CD1 4.05Å; L50-F342 HydrophobicContact CD2-CD2 3.87Å; L50-F342 HydrophobicContact CD2-CE1 4.03Å; L50-F342 HydrophobicContact CD2-CE2 3.85Å; L50-F342 HydrophobicContact CD2-CG 3.97Å; L50-F342 HydrophobicContact CD2-CZ 3.93Å; L50-F342 HydrophobicContact CG-CE1 4.41Å
51	G	69.6	Low	74.2	Confident	9 Å²	9	40.1 Å²	40.1	9%	0.093	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	164.1	-179.2	0	0	0	0	0	113.6	V58	G51-V58 PolarHBondContact N-O 3.46Å; G51-V58 PolarHBondContact O-N 3.09Å
52	T	61.7	Low	74.6	Confident	65 Å²	65	42.2 Å²	42.2	40%	0.399	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.4	173.7	76	0	0	0	0	110.7	V49 K57 F346 M349	V49-T52 HydrophobicContact CG1-CG2 4.12Å; T52-K57 HydrophobicContact CG2-CD 4.27Å; T52-K57 HydrophobicContact CG2-CG 4.01Å; T52-F346 HydrophobicContact CG2-CD1 3.93Å; T52-F346 HydrophobicContact CG2-CE1 4.19Å; T52-F346 WeakPolarHBondContact OG1-CE1 3.48Å; T52-M349 HydrophobicContact CG2-SD 4.28Å
53	G	57.6	Low	74.9	Confident	50 Å²	50	35.4 Å²	35.4	52%	0.515	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	171.2	-176.3	0	0	0	0	0	113.1	Y55 G56	G53-Y55 PolarHBondContact O-N 2.97Å; G53-G56 PolarHBondContact N-O 2.94Å; G53-G56 PolarHBondContact O-N 3.2Å
54	A	48	Very low	74.9	Confident	96 Å²	96	37.2 Å²	37.2	79%	0.793	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-20.6	-170.8	0	0	0	0	0	115.6
55	Y	49.5	Very low	74.1	Confident	58 Å²	58	39.3 Å²	39.3	23%	0.227	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-10.5	-178	-52.3	-72.8	0	0	0	114.2	G53 L78 K79 K86 L193	G53-Y55 PolarHBondContact O-N 2.97Å; Y55-L78 WeakPolarHBondContact O-CA 3.42Å; Y55-K79 PolarHBondContact O-N 3.23Å; Y55-K79 VanDerWaalsContact O-N 3.11Å; Y55-K86 HydrophobicContact CE1-CD 4.12Å; Y55-K86 PolarHBondContact OH-NZ 2.95Å; Y55-L193 HydrophobicContact CE2-CD1 3.97Å
56	G	63.3	Low	72.9	Confident	15 Å²	15	37.1 Å²	37.1	16%	0.155	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-178.5	-165.4	0	0	0	0	0	116.7	G53 V77	G53-G56 PolarHBondContact N-O 2.94Å; G53-G56 PolarHBondContact O-N 3.2Å; G56-V77 CarbonylContact C-O 3.5Å; G56-V77 WeakPolarHBondContact CA-O 3.14Å
57	K	71.6	Confident	71.5	Confident	51 Å²	51	38.9 Å²	38.9	22%	0.222	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	151.2	169.6	-72.1	-162.6	172	-166.1	0	110	T52 F59 V77	T52-K57 HydrophobicContact CG2-CD 4.27Å; T52-K57 HydrophobicContact CG2-CG 4.01Å; K57-F59 HydrophobicContact CB-CD2 4.3Å; K57-F59 HydrophobicContact CB-CE2 3.58Å; K57-F59 HydrophobicContact CB-CZ 3.85Å; K57-F59 HydrophobicContact CD-CE1 4.4Å; K57-F59 HydrophobicContact CD-CE2 4.42Å; K57-F59 HydrophobicContact CD-CZ 3.82Å; K57-F59 HydrophobicContact CG-CZ 4.47Å; K57-V77 PolarHBondContact N-O 3.06Å; K57-V77 PolarHBondContact O-N 3.18Å
58	V	80.1	Confident	70.6	Confident	35 Å²	35	38 Å²	38	21%	0.212	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.5	170.5	-172.5	0	0	0	0	108.5	L50 G51 A74 M75 K76	L50-V58 HydrophobicContact CB-CG1 4.24Å; L50-V58 HydrophobicContact CD1-CG1 4.47Å; L50-V58 PolarHBondContact N-O 3.17Å; G51-V58 PolarHBondContact N-O 3.46Å; G51-V58 PolarHBondContact O-N 3.09Å; V58-A74 HydrophobicContact CG1-CB 4.26Å; V58-M75 CarbonylContact C-O 3.56Å; V58-M75 WeakPolarHBondContact CA-O 3.3Å; V58-K76 HydrophobicContact CG2-CB 4.24Å; V58-K76 HydrophobicContact CG2-CD 4.44Å; V58-K76 HydrophobicContact CG2-CG 4.05Å
59	F	81.8	Confident	70.3	Confident	5 Å²	5	40.8 Å²	40.8	2%	0.022	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.8	179.8	-58.1	-96	0	0	0	110.4	L46 K48 V49 K57 V61 A74 M75 V77 P351	L46-F59 HydrophobicContact CD2-CB 3.91Å; L46-F59 HydrophobicContact CD2-CD1 3.54Å; L46-F59 HydrophobicContact CD2-CD2 3.96Å; L46-F59 HydrophobicContact CD2-CE1 3.92Å; L46-F59 HydrophobicContact CD2-CE2 4.32Å; L46-F59 HydrophobicContact CD2-CG 3.55Å; L46-F59 HydrophobicContact CD2-CZ 4.3Å; K48-F59 CarbonylContact O-C 3.47Å; K48-F59 WeakPolarHBondContact O-CA 3.36Å; K48-F59 WeakPolarHBondContact O-CB 3.18Å; V49-F59 HydrophobicContact CG2-CD1 3.9Å; V49-F59 HydrophobicContact CG2-CE1 3.81Å; K57-F59 HydrophobicContact CB-CD2 4.3Å; K57-F59 HydrophobicContact CB-CE2 3.58Å; K57-F59 HydrophobicContact CB-CZ 3.85Å; K57-F59 HydrophobicContact CD-CE1 4.4Å; K57-F59 HydrophobicContact CD-CE2 4.42Å; K57-F59 HydrophobicContact CD-CZ 3.82Å; K57-F59 HydrophobicContact CG-CZ 4.47Å; F59-V61 HydrophobicContact CB-CG1 3.98Å; F59-A74 CarbonylContact O-C 3.53Å; F59-A74 WeakPolarHBondContact O-CA 3.28Å; F59-M75 HydrophobicContact CB-CB 4.5Å; F59-M75 PolarHBondContact N-O 3.04Å; F59-M75 PolarHBondContact O-N 2.72Å; F59-V77 HydrophobicContact CD2-CG2 3.76Å; F59-V77 HydrophobicContact CE2-CB 4.17Å; F59-V77 HydrophobicContact CE2-CG2 3.7Å; F59-P351 HydrophobicContact CD1-CB 4.48Å
60	L	86.7	Confident	70	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	125.1	159	177.1	57.2	0	0	0	106.8	L47 K48 L50 L72 Y128 L337 V339	L47-L60 HydrophobicContact CB-CB 4.46Å; L47-L60 HydrophobicContact CB-CD2 4.4Å; L47-L60 HydrophobicContact CB-CG 4.16Å; L47-L60 WeakPolarHBondContact CB-O 3.4Å; L47-L60 HydrophobicContact CD1-CD2 4.37Å; L47-L60 HydrophobicContact CD1-CG 4.09Å; L47-L60 PolarHBondContact N-O 3.43Å; K48-L60 HydrophobicContact CB-CB 4.34Å; K48-L60 PolarHBondContact N-O 3.39Å; K48-L60 PolarHBondContact O-N 3.35Å; L50-L60 HydrophobicContact CD1-CB 3.91Å; L50-L60 HydrophobicContact CD2-CB 4Å; L50-L60 HydrophobicContact CG-CB 3.85Å; L60-L72 HydrophobicContact CD1-CB 4.19Å; L60-L72 HydrophobicContact CD1-CD2 4.25Å; L60-Y128 HydrophobicContact CD1-CD1 3.81Å; L60-Y128 HydrophobicContact CD1-CD2 3.65Å; L60-Y128 HydrophobicContact CD1-CE1 3.96Å; L60-Y128 HydrophobicContact CD1-CE2 3.82Å; L60-Y128 HydrophobicContact CD1-CG 3.65Å; L60-L337 HydrophobicContact CD2-CD2 4.41Å; L60-V339 HydrophobicContact CD2-CG1 3.99Å
61	V	84.9	Confident	70.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.3	177.4	-56.3	0	0	0	0	111	F44 E45 L46 F59 L72 Y73 M75	F44-V61 HydrophobicContact CB-CB 4.14Å; F44-V61 HydrophobicContact CB-CG2 4.31Å; F44-V61 HydrophobicContact CD1-CB 4.31Å; F44-V61 HydrophobicContact CD1-CG2 3.66Å; F44-V61 HydrophobicContact CE1-CG2 4.36Å; F44-V61 HydrophobicContact CG-CG2 4.22Å; E45-V61 CarbonylContact O-C 3.52Å; E45-V61 WeakPolarHBondContact O-CA 3.48Å; E45-V61 WeakPolarHBondContact O-CB 3.08Å; L46-V61 HydrophobicContact CD2-CG1 4.36Å; L46-V61 HydrophobicContact CG-CG1 4.3Å; F59-V61 HydrophobicContact CB-CG1 3.98Å; V61-L72 WeakPolarHBondContact O-CA 3.3Å; V61-Y73 PolarHBondContact N-O 3.18Å; V61-Y73 PolarHBondContact O-N 2.65Å; V61-M75 HydrophobicContact CB-CB 4.4Å; V61-M75 HydrophobicContact CG1-CB 3.57Å; V61-M75 HydrophobicContact CG1-CE 3.95Å; V61-M75 HydrophobicContact CG1-CG 4.46Å; V61-M75 HydrophobicContact CG1-SD 4.18Å; V61-M75 HydrophobicContact CG2-CB 3.85Å; V61-M75 HydrophobicContact CG2-CE 4.34Å
62	R	85.2	Confident	70.8	Confident	78 Å²	78	47.6 Å²	47.6	29%	0.294	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.7	164.5	172.4	-178.7	-65.4	134.8	-7.6	108.4	F44 E45 L47 N64 Q71 L72	F44-R62 CarbonylContact C-O 3.58Å; F44-R62 VanDerWaalsContact CA-O 3.27Å; F44-R62 WeakPolarHBondContact CA-O 3.29Å; E45-R62 HydrophobicContact CB-CB 4.31Å; E45-R62 PolarHBondContact N-O 2.91Å; E45-R62 PolarHBondContact O-N 2.72Å; E45-R62 IonicContact OE2-CZ 3.53Å; E45-R62 IonicContact OE2-NH1 2.85Å; E45-R62 PolarHBondContact OE2-NH1 3.06Å; L47-R62 HydrophobicContact CD1-CB 3.82Å; L47-R62 HydrophobicContact CG-CB 4.35Å; R62-N64 PolarHBondContact O-OD1 3.48Å; R62-Q71 WeakPolarHBondContact CA-O 3.13Å; R62-L72 HydrophobicContact CB-CD2 4.08Å
63	K	82.4	Confident	72	Confident	1 Å²	1	45.1 Å²	45.1	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	130.5	170.7	-159.9	178.6	-178.4	-114.3	0	110.3	N43 F44 T65 D68 G70 Q71 Y73 Y114	N43-K63 CarbonylContact O-C 3.57Å; N43-K63 WeakPolarHBondContact O-CA 3.46Å; N43-K63 WeakPolarHBondContact O-CG 3.46Å; F44-K63 HydrophobicContact CD1-CB 4.09Å; F44-K63 HydrophobicContact CD1-CG 4.08Å; F44-K63 HydrophobicContact CE1-CB 3.96Å; F44-K63 HydrophobicContact CE1-CD 4.08Å; F44-K63 HydrophobicContact CE1-CG 3.73Å; F44-K63 HydrophobicContact CZ-CD 4.4Å; F44-K63 HydrophobicContact CZ-CG 4.31Å; K63-T65 VanDerWaalsContact CE-O 3.31Å; K63-T65 WeakPolarHBondContact CE-O 3.46Å; K63-T65 PolarHBondContact NZ-O 3.46Å; K63-D68 VanDerWaalsContact CD-CG 3.49Å; K63-D68 WeakPolarHBondContact CD-OD1 3.29Å; K63-D68 WeakPolarHBondContact CD-OD2 3.39Å; K63-D68 WeakPolarHBondContact CE-OD1 3.43Å; K63-D68 IonicContact NZ-OD1 3.99Å; K63-D68 PolarHBondContact NZ-OD1 3.49Å; K63-D68 IonicContact NZ-OD2 3.13Å; K63-G70 PolarHBondContact O-N 2.78Å; K63-Q71 PolarHBondContact N-O 3.48Å; K63-Y73 HydrophobicContact CB-CD2 4.43Å; K63-Y73 HydrophobicContact CB-CE2 4.32Å; K63-Y73 HydrophobicContact CD-CE2 4.38Å; K63-Y114 HydrophobicContact CD-CE2 4.24Å; K63-Y114 WeakPolarHBondContact CE-OH 3.48Å; K63-Y114 PolarHBondContact NZ-OH 2.96Å
64	N	78.4	Confident	73.3	Confident	65 Å²	65	43.3 Å²	43.3	35%	0.348	25%	0.246	S	C	.	.			trans	-103.4	0.4	-171.1	-71.3	13.1	0	0	0	114	N43 E45 R62	N43-N64 PolarHBondContact O-N 3.38Å; E45-N64 VanDerWaalsContact CB-OD1 3.3Å; E45-N64 WeakPolarHBondContact CB-OD1 3.32Å; E45-N64 PolarHBondContact N-OD1 3.1Å; R62-N64 PolarHBondContact O-OD1 3.48Å
65	T	64.1	Low	75	Confident	52 Å²	52	38.7 Å²	38.7	32%	0.319	21%	0.209	S	C	.	.	S	Bend	trans	-157.8	148.8	-171	54.4	0	0	0	0	110.7	N43 K63	N43-T65 WeakPolarHBondContact CB-OG1 3.38Å; N43-T65 PolarHBondContact ND2-OG1 3.45Å; K63-T65 VanDerWaalsContact CE-O 3.31Å; K63-T65 WeakPolarHBondContact CE-O 3.46Å; K63-T65 PolarHBondContact NZ-O 3.46Å
66	G	60.7	Low	76.4	Confident	31 Å²	31	37.3 Å²	37.3	32%	0.32	20%	0.204	S	C	.	.	S	Bend	trans	97.6	-169.5	174.7	0	0	0	0	0	112.4	D68 E69	G66-D68 VanDerWaalsContact C-N 3.26Å; G66-D68 PolarHBondContact O-N 3.05Å; G66-E69 WeakPolarHBondContact O-CB 3.48Å; G66-E69 PolarHBondContact O-N 3.26Å
67	H	54.6	Low	77	Confident	82 Å²	82	36.9 Å²	36.9	38%	0.38	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.5	-170.1	52.7	-82.5	0	0	0	114.8	E37 I376	E37-H67 IonicContact OE2-CE1 2.99Å; H67-I376 PolarHBondContact CD2-O 3.17Å; H67-I376 WeakPolarHBondContact NE2-CG2 3.41Å; H67-I376 PolarHBondContact NE2-O 3.37Å
68	D	62.2	Low	76.7	Confident	22 Å²	22	35.5 Å²	35.5	12%	0.118	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	32.4	176.6	62.7	-51.3	0	0	0	111.2	K63 G66 Q71 Y73 Y114	K63-D68 VanDerWaalsContact CD-CG 3.49Å; K63-D68 WeakPolarHBondContact CD-OD1 3.29Å; K63-D68 WeakPolarHBondContact CD-OD2 3.39Å; K63-D68 WeakPolarHBondContact CE-OD1 3.43Å; K63-D68 IonicContact NZ-OD1 3.99Å; K63-D68 PolarHBondContact NZ-OD1 3.49Å; K63-D68 IonicContact NZ-OD2 3.13Å; G66-D68 VanDerWaalsContact C-N 3.26Å; G66-D68 PolarHBondContact O-N 3.05Å; D68-Q71 HydrophobicContact CB-CB 4.34Å; D68-Q71 WeakPolarHBondContact O-CB 3.2Å; D68-Q71 PolarHBondContact O-N 3.08Å; D68-Y73 WeakPolarHBondContact OD2-CE2 3.19Å; D68-Y73 PolarHBondContact OD2-OH 3.24Å; D68-Y114 PolarHBondContact OD1-OH 3.37Å; D68-Y114 PolarHBondContact OD2-OH 2.98Å
69	E	75.9	Confident	75.9	Confident	134 Å²	134	39.3 Å²	39.3	63%	0.626	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	139.3	169.7	-178.5	175	161.8	0	0	111.6	G66 Q71	G66-E69 WeakPolarHBondContact O-CB 3.48Å; G66-E69 PolarHBondContact O-N 3.26Å; E69-Q71 VanDerWaalsContact C-N 3.29Å; E69-Q71 PolarHBondContact O-N 2.72Å
70	G	74.2	Confident	75	Confident	41 Å²	41	39.1 Å²	39.1	42%	0.423	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	-21.1	-173.6	0	0	0	0	0	114.5	K63	K63-G70 PolarHBondContact O-N 2.78Å
71	Q	80.4	Confident	73.4	Confident	102 Å²	102	41 Å²	41	48%	0.477	22%	0.221	S	C	.	.			trans	-65.5	140.2	-176.2	-174.2	56.3	49.7	0	0	112.6	R62 K63 D68 E69 Y73	R62-Q71 WeakPolarHBondContact CA-O 3.13Å; K63-Q71 PolarHBondContact N-O 3.48Å; D68-Q71 HydrophobicContact CB-CB 4.34Å; D68-Q71 WeakPolarHBondContact O-CB 3.2Å; D68-Q71 PolarHBondContact O-N 3.08Å; E69-Q71 VanDerWaalsContact C-N 3.29Å; E69-Q71 PolarHBondContact O-N 2.72Å; Q71-Y73 HydrophobicContact CB-CE2 3.82Å; Q71-Y73 HydrophobicContact CG-CD2 4.23Å; Q71-Y73 HydrophobicContact CG-CE1 4.16Å; Q71-Y73 HydrophobicContact CG-CE2 3.56Å
72	L	83.8	Confident	71.8	Confident	15 Å²	15	42.3 Å²	42.3	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	138.4	175.2	-62.8	177.6	0	0	0	111.7	L47 L60 V61 R62 Y128 E336 L337	L47-L72 HydrophobicContact CD1-CD2 3.54Å; L60-L72 HydrophobicContact CD1-CB 4.19Å; L60-L72 HydrophobicContact CD1-CD2 4.25Å; V61-L72 WeakPolarHBondContact O-CA 3.3Å; R62-L72 HydrophobicContact CB-CD2 4.08Å; L72-Y128 HydrophobicContact CB-CD1 4.09Å; L72-Y128 HydrophobicContact CD1-CD1 4.29Å; L72-Y128 HydrophobicContact CD1-CE1 4.43Å; L72-E336 HydrophobicContact CD1-CB 4.13Å; L72-E336 WeakPolarHBondContact CD1-O 3.32Å; L72-L337 HydrophobicContact CD1-CD2 3.88Å; L72-L337 HydrophobicContact CD2-CD2 3.83Å
73	Y	85.8	Confident	70.1	Confident	13 Å²	13	41 Å²	41	5%	0.051	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.4	178.6	-67.1	-72.5	0	0	0	112.4	F44 V61 K63 D68 Q71 H113 Y114 I125 L126	F44-Y73 HydrophobicContact CE1-CD2 4.28Å; V61-Y73 PolarHBondContact N-O 3.18Å; V61-Y73 PolarHBondContact O-N 2.65Å; K63-Y73 HydrophobicContact CB-CD2 4.43Å; K63-Y73 HydrophobicContact CB-CE2 4.32Å; K63-Y73 HydrophobicContact CD-CE2 4.38Å; D68-Y73 WeakPolarHBondContact OD2-CE2 3.19Å; D68-Y73 PolarHBondContact OD2-OH 3.24Å; Q71-Y73 HydrophobicContact CB-CE2 3.82Å; Q71-Y73 HydrophobicContact CG-CD2 4.23Å; Q71-Y73 HydrophobicContact CG-CE1 4.16Å; Q71-Y73 HydrophobicContact CG-CE2 3.56Å; Y73-H113 HydrophobicContact CD1-CB 4.28Å; Y73-H113 AromaticContact CD1-CD2 3.78Å; Y73-H113 HydrophobicContact CE1-CB 3.95Å; Y73-H113 AromaticContact CE1-CD2 3.48Å; Y73-H113 VanDerWaalsContact CE1-CD2 3.48Å; Y73-H113 WeakPolarHBondContact CE1-CD2 3.47Å; Y73-H113 AromaticContact CE1-CG 3.56Å; Y73-H113 AromaticContact CE1-NE2 3.92Å; Y73-Y114 HydrophobicContact CE2-CE2 4.16Å; Y73-I125 HydrophobicContact CD1-CG2 3.91Å; Y73-I125 HydrophobicContact CD2-CG2 4.06Å; Y73-I125 HydrophobicContact CG-CG2 3.53Å; Y73-L126 WeakPolarHBondContact CD1-O 3.47Å
74	A	84.9	Confident	68.4	Low	12 Å²	12	44 Å²	44	10%	0.099	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	110.6	167.9	0	0	0	0	0	110.5	L50 V58 F59 L126	L50-A74 HydrophobicContact CD1-CB 4.35Å; V58-A74 HydrophobicContact CG1-CB 4.26Å; F59-A74 CarbonylContact O-C 3.53Å; F59-A74 WeakPolarHBondContact O-CA 3.28Å; A74-L126 HydrophobicContact CB-CB 4.35Å; A74-L126 PolarHBondContact N-O 3.42Å; A74-L126 PolarHBondContact O-N 3.19Å
75	M	83.8	Confident	66.5	Low	0 Å²	0	49 Å²	49	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	108.4	174.6	179	-171.7	-70.1	0	0	111	M41 F44 V58 F59 V61 V77 F116 L124 I125	M41-M75 HydrophobicContact CE-CE 3.92Å; M41-M75 HydrophobicContact CE-SD 3.66Å; M41-M75 HydrophobicContact SD-CE 3.86Å; M41-M75 HydrophobicContact SD-SD 3.68Å; M41-M75 VanDerWaalsContact SD-SD 3.68Å; F44-M75 HydrophobicContact CB-CE 3.57Å; F44-M75 HydrophobicContact CD1-CE 4.46Å; F44-M75 HydrophobicContact CD2-CE 3.66Å; F44-M75 HydrophobicContact CE2-CE 4.48Å; F44-M75 HydrophobicContact CG-CE 3.65Å; V58-M75 CarbonylContact C-O 3.56Å; V58-M75 WeakPolarHBondContact CA-O 3.3Å; F59-M75 HydrophobicContact CB-CB 4.5Å; F59-M75 PolarHBondContact N-O 3.04Å; F59-M75 PolarHBondContact O-N 2.72Å; V61-M75 HydrophobicContact CB-CB 4.4Å; V61-M75 HydrophobicContact CG1-CB 3.57Å; V61-M75 HydrophobicContact CG1-CE 3.95Å; V61-M75 HydrophobicContact CG1-CG 4.46Å; V61-M75 HydrophobicContact CG1-SD 4.18Å; V61-M75 HydrophobicContact CG2-CB 3.85Å; V61-M75 HydrophobicContact CG2-CE 4.34Å; M75-V77 HydrophobicContact CG-CG2 3.72Å; M75-V77 HydrophobicContact SD-CG2 3.8Å; M75-F116 HydrophobicContact CE-CZ 3.99Å; M75-L124 CarbonylContact C-O 3.54Å; M75-L124 WeakPolarHBondContact CA-O 3.23Å; M75-I125 HydrophobicContact CB-CD1 3.59Å; M75-I125 HydrophobicContact CE-CD1 3.65Å; M75-I125 HydrophobicContact CG-CD1 3.51Å; M75-I125 HydrophobicContact SD-CD1 4.39Å
76	K	79.3	Confident	65.4	Low	28 Å²	28	51.7 Å²	51.7	12%	0.122	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.8	171.4	-174.8	171.9	-162.9	-179.8	0	111.3	V58 L78 H123 L124 L126 D190	V58-K76 HydrophobicContact CG2-CB 4.24Å; V58-K76 HydrophobicContact CG2-CD 4.44Å; V58-K76 HydrophobicContact CG2-CG 4.05Å; K76-L78 HydrophobicContact CG-CD2 4.42Å; K76-L78 HydrophobicContact CG-CG 4.42Å; K76-H123 CarbonylContact O-C 3.6Å; K76-H123 WeakPolarHBondContact O-CA 3.02Å; K76-L124 HydrophobicContact CB-CB 4.35Å; K76-L124 PolarHBondContact N-O 2.85Å; K76-L124 PolarHBondContact O-N 3.21Å; K76-L126 HydrophobicContact CB-CD1 4.32Å; K76-D190 IonicContact NZ-OD1 2.61Å; K76-D190 PolarHBondContact NZ-OD1 3.2Å; K76-D190 IonicContact NZ-OD2 2.69Å; K76-D190 PolarHBondContact NZ-OD2 3.39Å
77	V	75.3	Confident	64.4	Low	7 Å²	7	52.8 Å²	52.8	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	109.1	-172.9	-174.8	0	0	0	0	110.9	G56 K57 F59 M75 K121 L122 Y353	G56-V77 CarbonylContact C-O 3.5Å; G56-V77 WeakPolarHBondContact CA-O 3.14Å; K57-V77 PolarHBondContact N-O 3.06Å; K57-V77 PolarHBondContact O-N 3.18Å; F59-V77 HydrophobicContact CD2-CG2 3.76Å; F59-V77 HydrophobicContact CE2-CB 4.17Å; F59-V77 HydrophobicContact CE2-CG2 3.7Å; M75-V77 HydrophobicContact CG-CG2 3.72Å; M75-V77 HydrophobicContact SD-CG2 3.8Å; V77-K121 HydrophobicContact CG1-CB 4.13Å; V77-K121 HydrophobicContact CG1-CD 3.4Å; V77-K121 VanDerWaalsContact CG1-CD 3.4Å; V77-K121 HydrophobicContact CG1-CG 4.37Å; V77-L122 CarbonylContact C-O 3.55Å; V77-L122 WeakPolarHBondContact CA-O 3.32Å; V77-Y353 HydrophobicContact CG1-CE2 4.06Å
78	L	65.2	Low	63.4	Low	22 Å²	22	57.5 Å²	57.5	12%	0.115	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.8	-174.4	-58.5	162.1	0	0	0	111.7	Y55 K76 I83 K121 L122 L124	Y55-L78 WeakPolarHBondContact O-CA 3.42Å; K76-L78 HydrophobicContact CG-CD2 4.42Å; K76-L78 HydrophobicContact CG-CG 4.42Å; L78-I83 HydrophobicContact CB-CD1 4.05Å; L78-K121 CarbonylContact O-C 3.52Å; L78-K121 VanDerWaalsContact O-CA 3.22Å; L78-K121 WeakPolarHBondContact O-CA 3.41Å; L78-K121 WeakPolarHBondContact O-CB 2.98Å; L78-L122 HydrophobicContact CB-CB 4.32Å; L78-L122 PolarHBondContact N-O 3.48Å; L78-L122 PolarHBondContact O-N 3.38Å; L78-L124 HydrophobicContact CD1-CD1 4.12Å
79	K	63.7	Low	62.1	Low	114 Å²	114	58.5 Å²	58.5	50%	0.496	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121.8	178.9	-65.5	177.6	-177.8	174.3	0	111.2	Y55 A81 A82 I83	Y55-K79 PolarHBondContact O-N 3.23Å; Y55-K79 VanDerWaalsContact O-N 3.11Å; K79-A81 VanDerWaalsContact C-N 3.29Å; K79-A81 PolarHBondContact O-N 2.86Å; K79-A82 HydrophobicContact CB-CB 4.38Å; K79-A82 PolarHBondContact O-N 2.78Å; K79-I83 PolarHBondContact O-N 2.88Å
80	K	62.6	Low	59.9	Low	2 Å²	2	58 Å²	58	1%	0.009	32%	0.316	C	S	.	.	H	α-helix	trans	-54.4	-42.5	-179.2	-78	178	167.7	175.5	0	112.8	A82 I83 V84 T118 Q119 S120 L122 P359 F366	K80-A82 VanDerWaalsContact C-N 3.26Å; K80-A82 PolarHBondContact O-N 3.3Å; K80-I83 PolarHBondContact O-N 3.04Å; K80-I83 VanDerWaalsContact O-N 3.14Å; K80-V84 WeakPolarHBondContact O-CG2 3.46Å; K80-V84 PolarHBondContact O-N 2.74Å; K80-T118 WeakPolarHBondContact CE-O 3.35Å; K80-T118 PolarHBondContact NZ-O 3.48Å; K80-Q119 WeakPolarHBondContact CD-O 3.31Å; K80-S120 WeakPolarHBondContact CB-O 3.47Å; K80-S120 PolarHBondContact N-O 3.35Å; K80-L122 HydrophobicContact CD-CD2 4.34Å; K80-L122 HydrophobicContact CG-CD2 4.04Å; K80-L122 HydrophobicContact CG-CG 3.94Å; K80-P359 HydrophobicContact CB-CG 4.16Å; K80-F366 HydrophobicContact CB-CE2 4.07Å; K80-F366 HydrophobicContact CB-CZ 4.33Å; K80-F366 HydrophobicContact CD-CD2 3.86Å; K80-F366 HydrophobicContact CD-CE2 4.02Å; K80-F366 HydrophobicContact CD-CG 4.46Å; K80-F366 HydrophobicContact CG-CD2 4.14Å; K80-F366 HydrophobicContact CG-CE2 3.88Å; K80-F366 HydrophobicContact CG-CZ 4.17Å
81	A	54.1	Low	57.9	Low	39 Å²	39	60.1 Å²	60.1	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-31.7	179.6	0	0	0	0	0	113.9	K79 P359	K79-A81 VanDerWaalsContact C-N 3.29Å; K79-A81 PolarHBondContact O-N 2.86Å; A81-P359 HydrophobicContact CB-CB 4.43Å; A81-P359 HydrophobicContact CB-CG 4.46Å
82	A	50.8	Low	55.7	Low	29 Å²	29	63.6 Å²	63.6	24%	0.24	33%	0.331	C	S	.	.	H	α-helix	trans	-77.9	-27.4	178.4	0	0	0	0	0	112.9	K79 K80	K79-A82 HydrophobicContact CB-CB 4.38Å; K79-A82 PolarHBondContact O-N 2.78Å; K80-A82 VanDerWaalsContact C-N 3.26Å; K80-A82 PolarHBondContact O-N 3.3Å
83	I	50.1	Low	53.2	Low	51 Å²	51	67.2 Å²	67.2	26%	0.262	35%	0.354	S	S	.	.	H	α-helix	trans	-76.5	-44.2	-179.5	-61.2	170.4	0	0	0	110.7	L78 K79 K80 Q85 K86 L122 F366	L78-I83 HydrophobicContact CB-CD1 4.05Å; K79-I83 PolarHBondContact O-N 2.88Å; K80-I83 PolarHBondContact O-N 3.04Å; K80-I83 VanDerWaalsContact O-N 3.14Å; I83-Q85 PolarHBondContact O-N 3.5Å; I83-Q85 VanDerWaalsContact O-N 3.1Å; I83-K86 PolarHBondContact O-N 2.81Å; I83-K86 VanDerWaalsContact O-N 3.11Å; I83-L122 HydrophobicContact CD1-CD1 3.47Å; I83-L122 VanDerWaalsContact CD1-CD1 3.47Å; I83-L122 HydrophobicContact CD1-CG 4.32Å; I83-F366 HydrophobicContact CG2-CE1 4.38Å; I83-F366 HydrophobicContact CG2-CZ 4.5Å
84	V	46.5	Very low	50.9	Low	62 Å²	62	71 Å²	71	38%	0.376	37%	0.368	S	S	.	.	H	α-helix	trans	-57.4	-29.1	-176.9	173.2	0	0	0	0	112.5	K80 K86 T362 F366	K80-V84 WeakPolarHBondContact O-CG2 3.46Å; K80-V84 PolarHBondContact O-N 2.74Å; V84-K86 VanDerWaalsContact C-N 3.29Å; V84-K86 PolarHBondContact O-N 3.01Å; V84-T362 HydrophobicContact CG2-CG2 4.3Å; V84-F366 HydrophobicContact CG2-CE2 4.05Å; V84-F366 HydrophobicContact CG2-CZ 3.94Å
85	Q	38.7	Very low	48.8	Very low	172 Å²	172	74.1 Å²	74.1	80%	0.804	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.5	-179.5	-69.9	-176.9	-22	0	0	115	I83	I83-Q85 PolarHBondContact O-N 3.5Å; I83-Q85 VanDerWaalsContact O-N 3.1Å
86	K	41	Very low	47	Very low	107 Å²	107	79.4 Å²	79.4	47%	0.465	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-6.1	-173.3	-65.8	-166.6	178.6	-170.4	0	115.5	Y55 I83 V84 K88 C209	Y55-K86 HydrophobicContact CE1-CD 4.12Å; Y55-K86 PolarHBondContact OH-NZ 2.95Å; I83-K86 PolarHBondContact O-N 2.81Å; I83-K86 VanDerWaalsContact O-N 3.11Å; V84-K86 VanDerWaalsContact C-N 3.29Å; V84-K86 PolarHBondContact O-N 3.01Å; K86-K88 PolarHBondContact O-N 3.02Å; K86-C209 PolarHBondContact NZ-SG 2.76Å
87	A	40.4	Very low	45.2	Very low	54 Å²	54	81.8 Å²	81.8	45%	0.446	42%	0.419	S	S	.	.			trans	-79.7	81.9	-172.4	0	0	0	0	0	113.7
88	K	33.1	Very low	43.7	Very low	182 Å²	182	84 Å²	84	79%	0.791	43%	0.429	S	S	*	.			trans	-133.9	88.4	165.4	-81.4	-174	176	177.7	0	111.3	K86	K86-K88 PolarHBondContact O-N 3.02Å
89	T	34.3	Very low	43.1	Very low	42 Å²	42	83.9 Å²	83.9	26%	0.258	43%	0.429	S	S	.	.			trans	-178.4	148.4	138.9	19.8	0	0	0	0	113.3	H25 K195 R204 T205	H25-T89 PolarHBondContact CE1-O 2.7Å; H25-T89 PolarHBondContact NE2-O 3.44Å; T89-K195 PolarHBondContact OG1-NZ 2.95Å; T89-R204 WeakPolarHBondContact CG2-O 3.26Å; T89-T205 HydrophobicContact CG2-CG2 3.82Å; T89-T205 WeakPolarHBondContact OG1-CB 3.29Å
90	T	31	Very low	42.6	Very low	124 Å²	124	80.3 Å²	80.3	76%	0.761	42%	0.415	S	S	*	.			trans	-72.1	159.5	-161.7	-26.6	0	0	0	0	115.8
91	E	31.5	Very low	42.1	Very low	85 Å²	85	82.9 Å²	82.9	40%	0.397	43%	0.427	S	S	.	.			trans	-87.7	152.4	-178.6	-62	170.5	173.5	0	0	113.3	H25	H25-E91 IonicContact CG-OE1 3.35Å; H25-E91 IonicContact ND1-OE1 2.87Å; H25-E91 PolarHBondContact ND1-OE1 2.79Å; H25-E91 VanDerWaalsContact ND1-OE1 3.13Å
92	H	33.7	Very low	42.2	Very low	176 Å²	176	83.5 Å²	83.5	82%	0.815	42%	0.423	S	S	*	.				-167.5	120.8	111.2	-83.6	-50.8	0	0	0	108.2
93	T	31	Very low	42.9	Very low	91 Å²	91	82.5 Å²	82.5	56%	0.558	41%	0.414	S	S	*	.			trans	-133	154.1	-158.3	-50.7	0	0	0	0	110.3	E196	T93-E196 HydrophobicContact CG2-CB 4.37Å; T93-E196 HydrophobicContact CG2-CG 4.07Å; T93-E196 WeakPolarHBondContact CG2-OE2 3.17Å
94	R	39.2	Very low	43.5	Very low	91 Å²	91	83.9 Å²	83.9	34%	0.343	42%	0.416	S	S	.	.	S	Bend	trans	-54.8	148.8	161.3	-165.2	174.1	-178.8	-172.3	-5	108.8	E96 Q98 H102 E196	R94-E96 PolarHBondContact O-N 2.94Å; R94-E96 VanDerWaalsContact O-N 3.16Å; R94-Q98 HydrophobicContact CG-CB 4.21Å; R94-Q98 VanDerWaalsContact CG-OE1 3.29Å; R94-H102 PolarHBondContact NH2-CE1 2.85Å; R94-H102 VanDerWaalsContact NH2-CE1 3.29Å; R94-H102 PolarHBondContact NH2-NE2 3.44Å; R94-E196 PolarHBondContact N-OE2 3.4Å
95	T	40.5	Very low	44.5	Very low	78 Å²	78	87.6 Å²	87.6	48%	0.479	43%	0.429	S	S	.	.			trans	-60.4	126.2	-179.7	52	0	0	0	0	110.3	R97 Q98	T95-R97 PolarHBondContact O-N 3.06Å; T95-Q98 WeakPolarHBondContact O-CB 3.31Å; T95-Q98 PolarHBondContact O-N 3.49Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.45Å
96	E	45	Very low	46.3	Very low	112 Å²	112	79.9 Å²	79.9	52%	0.523	39%	0.394	S	S	.	.	H	α-helix	trans	-42.2	-39.2	-179.8	-175.6	178.6	-177.5	0	0	113.9	R94 Q98 V99 L100	R94-E96 PolarHBondContact O-N 2.94Å; R94-E96 VanDerWaalsContact O-N 3.16Å; E96-Q98 VanDerWaalsContact C-N 3.33Å; E96-Q98 PolarHBondContact O-N 2.83Å; E96-V99 WeakPolarHBondContact O-CB 3.31Å; E96-V99 PolarHBondContact O-N 2.97Å; E96-V99 VanDerWaalsContact O-N 3.12Å; E96-L100 HydrophobicContact CG-CD1 4.2Å; E96-L100 PolarHBondContact O-N 2.79Å
97	R	42.3	Very low	48.4	Very low	77 Å²	77	77.6 Å²	77.6	29%	0.291	39%	0.39	S	S	.	.	H	α-helix	trans	-48.5	-47.6	170.9	-177.7	-177.9	70.4	82.5	-4.3	113.8	L32 T95 E101	L32-R97 HydrophobicContact CD1-CB 4.25Å; T95-R97 PolarHBondContact O-N 3.06Å; R97-E101 VanDerWaalsContact CG-OE1 3.22Å; R97-E101 WeakPolarHBondContact CG-OE1 3.46Å; R97-E101 IonicContact CZ-OE1 2.69Å; R97-E101 IonicContact CZ-OE2 2.76Å; R97-E101 IonicContact NH1-OE1 2.58Å; R97-E101 PolarHBondContact NH1-OE1 3.08Å; R97-E101 IonicContact NH1-OE2 3.14Å; R97-E101 PolarHBondContact NH1-OE2 3.12Å; R97-E101 WeakPolarHBondContact O-CB 3.29Å; R97-E101 VanDerWaalsContact O-CG 3.26Å; R97-E101 WeakPolarHBondContact O-CG 3.03Å; R97-E101 PolarHBondContact O-N 2.97Å
98	Q	43.9	Very low	50.7	Low	54 Å²	54	75.1 Å²	75.1	25%	0.252	37%	0.369	S	S	.	.	H	α-helix	trans	-69.1	-35.5	-178.8	-68.8	-178.5	9.5	0	0	111.7	R94 T95 E96 H102	R94-Q98 HydrophobicContact CG-CB 4.21Å; R94-Q98 VanDerWaalsContact CG-OE1 3.29Å; T95-Q98 WeakPolarHBondContact O-CB 3.31Å; T95-Q98 PolarHBondContact O-N 3.49Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.45Å; E96-Q98 VanDerWaalsContact C-N 3.33Å; E96-Q98 PolarHBondContact O-N 2.83Å; Q98-H102 PolarHBondContact O-N 3.47Å; Q98-H102 VanDerWaalsContact O-N 3.1Å; Q98-H102 PolarHBondContact O-ND1 3.08Å
99	V	51.6	Low	53.2	Low	20 Å²	20	66.7 Å²	66.7	12%	0.121	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-52.9	175.1	166.2	0	0	0	0	110.1	E96 E101 H102 I103 I168 E196	E96-V99 WeakPolarHBondContact O-CB 3.31Å; E96-V99 PolarHBondContact O-N 2.97Å; E96-V99 VanDerWaalsContact O-N 3.12Å; V99-E101 PolarHBondContact O-N 3.21Å; V99-H102 PolarHBondContact O-N 3.36Å; V99-I103 HydrophobicContact CG1-CD1 3.58Å; V99-I103 HydrophobicContact CG1-CG1 4.34Å; V99-I103 WeakPolarHBondContact O-CG1 3.31Å; V99-I103 PolarHBondContact O-N 3.11Å; V99-I168 HydrophobicContact CB-CD1 4.43Å; V99-I168 HydrophobicContact CG1-CD1 3.49Å; V99-I168 VanDerWaalsContact CG1-CD1 3.49Å; V99-I168 HydrophobicContact CG2-CD1 4.31Å; V99-E196 WeakPolarHBondContact CG2-OE1 3.43Å
100	L	53.8	Low	55.4	Low	38 Å²	38	64.9 Å²	64.9	20%	0.199	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-39.1	179.4	-65.5	171.7	0	0	0	112.3	E96 H102 R104 L112 F371	E96-L100 HydrophobicContact CG-CD1 4.2Å; E96-L100 PolarHBondContact O-N 2.79Å; L100-H102 PolarHBondContact O-N 3.23Å; L100-R104 WeakPolarHBondContact O-CD 3.44Å; L100-R104 WeakPolarHBondContact O-CG 3.3Å; L100-R104 PolarHBondContact O-N 2.45Å; L100-L112 HydrophobicContact CD1-CD2 4.37Å; L100-L112 HydrophobicContact CD2-CB 4.5Å; L100-L112 HydrophobicContact CD2-CD2 4.39Å; L100-F371 HydrophobicContact CD1-CE2 4.48Å; L100-F371 HydrophobicContact CD1-CZ 4.27Å
101	E	52.5	Low	57.6	Low	57 Å²	57	59.8 Å²	59.8	27%	0.266	29%	0.291	S	S	.	.	H	α-helix	trans	-61.8	-40.1	175.1	-80.9	166.6	-172.4	0	0	113	R97 V99	R97-E101 VanDerWaalsContact CG-OE1 3.22Å; R97-E101 WeakPolarHBondContact CG-OE1 3.46Å; R97-E101 IonicContact CZ-OE1 2.69Å; R97-E101 IonicContact CZ-OE2 2.76Å; R97-E101 IonicContact NH1-OE1 2.58Å; R97-E101 PolarHBondContact NH1-OE1 3.08Å; R97-E101 IonicContact NH1-OE2 3.14Å; R97-E101 PolarHBondContact NH1-OE2 3.12Å; R97-E101 WeakPolarHBondContact O-CB 3.29Å; R97-E101 VanDerWaalsContact O-CG 3.26Å; R97-E101 WeakPolarHBondContact O-CG 3.03Å; R97-E101 PolarHBondContact O-N 2.97Å; V99-E101 PolarHBondContact O-N 3.21Å
102	H	56.4	Low	59.4	Low	52 Å²	52	57.2 Å²	57.2	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-79.6	-41.3	-179.6	-67.8	61.2	0	0	0	111.4	R94 Q98 V99 L100 R104 Q105 H162 L166	R94-H102 PolarHBondContact NH2-CE1 2.85Å; R94-H102 VanDerWaalsContact NH2-CE1 3.29Å; R94-H102 PolarHBondContact NH2-NE2 3.44Å; Q98-H102 PolarHBondContact O-N 3.47Å; Q98-H102 VanDerWaalsContact O-N 3.1Å; Q98-H102 PolarHBondContact O-ND1 3.08Å; V99-H102 PolarHBondContact O-N 3.36Å; L100-H102 PolarHBondContact O-N 3.23Å; H102-R104 PolarHBondContact O-N 3.03Å; H102-R104 VanDerWaalsContact O-N 3.13Å; H102-Q105 WeakPolarHBondContact O-CB 3Å; H102-Q105 PolarHBondContact O-N 2.01Å; H102-H162 PolarHBondContact O-NE2 3.23Å; H102-L166 HydrophobicContact CB-CD1 3.53Å; H102-L166 HydrophobicContact CB-CD2 3.43Å; H102-L166 VanDerWaalsContact CB-CD2 3.43Å; H102-L166 HydrophobicContact CB-CG 4.12Å
103	I	64.3	Low	61.1	Low	8 Å²	8	49.3 Å²	49.3	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-47.5	-45.3	177.9	-78.8	171.1	0	0	0	111.4	V99 Q105 S106 L109 L163 L166 I168 F191	V99-I103 HydrophobicContact CG1-CD1 3.58Å; V99-I103 HydrophobicContact CG1-CG1 4.34Å; V99-I103 WeakPolarHBondContact O-CG1 3.31Å; V99-I103 PolarHBondContact O-N 3.11Å; I103-Q105 PolarHBondContact O-N 2.99Å; I103-S106 PolarHBondContact O-N 2.98Å; I103-L109 HydrophobicContact CB-CD1 4.4Å; I103-L109 HydrophobicContact CG1-CD1 4.46Å; I103-L109 HydrophobicContact CG2-CB 3.95Å; I103-L109 HydrophobicContact CG2-CD1 3.93Å; I103-L163 HydrophobicContact CD1-CD2 4.24Å; I103-L163 HydrophobicContact CG1-CD2 3.95Å; I103-L166 HydrophobicContact CG1-CD1 4.39Å; I103-I168 HydrophobicContact CD1-CD1 4.28Å; I103-I168 HydrophobicContact CG1-CD1 4.48Å; I103-F191 HydrophobicContact CG2-CE2 4.35Å
104	R	63.3	Low	62.9	Low	79 Å²	79	45 Å²	45	30%	0.298	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.5	-179.9	-68.4	170.7	58	105.6	31.6	116.4	L100 H102 S106 T111 S375	L100-R104 WeakPolarHBondContact O-CD 3.44Å; L100-R104 WeakPolarHBondContact O-CG 3.3Å; L100-R104 PolarHBondContact O-N 2.45Å; H102-R104 PolarHBondContact O-N 3.03Å; H102-R104 VanDerWaalsContact O-N 3.13Å; R104-S106 VanDerWaalsContact C-N 3.26Å; R104-T111 HydrophobicContact CG-CG2 3.97Å; R104-S375 VanDerWaalsContact CZ-CB 3.45Å; R104-S375 PolarHBondContact NH1-OG 3.36Å; R104-S375 PolarHBondContact NH2-OG 3.21Å
105	Q	66.3	Low	64.1	Low	140 Å²	140	41 Å²	41	65%	0.654	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.7	175	-61.6	177.5	-9.4	0	0	112.1	H102 I103	H102-Q105 WeakPolarHBondContact O-CB 3Å; H102-Q105 PolarHBondContact O-N 2.01Å; I103-Q105 PolarHBondContact O-N 2.99Å
106	S	77.4	Confident	65.4	Low	11 Å²	11	37.5 Å²	37.5	8%	0.077	18%	0.18	C	C	.	.			trans	-93.4	126.2	173.9	-179	0	0	0	0	110.6	I103 R104 F108	I103-S106 PolarHBondContact O-N 2.98Å; R104-S106 VanDerWaalsContact C-N 3.26Å; S106-F108 PolarHBondContact O-N 3.15Å; S106-F108 PolarHBondContact OG-N 3.11Å
107	P	84.2	Confident	66.1	Low	58 Å²	58	34.9 Å²	34.9	38%	0.377	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	3.7	177.2	35.5	-37.8	0	0	0	113.3	K323	P107-K323 HydrophobicContact CB-CD 4.38Å; P107-K323 VanDerWaalsContact O-CE 3.32Å; P107-K323 WeakPolarHBondContact O-CE 3.42Å; P107-K323 PolarHBondContact O-NZ 3.03Å
108	F	89.9	Confident	67.4	Low	2 Å²	2	33.3 Å²	33.3	1%	0.009	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	11	-178.8	-51.3	-64.8	0	0	0	113.1	S106 E155 L158 A159 V186 L188 L320 K323	S106-F108 PolarHBondContact O-N 3.15Å; S106-F108 PolarHBondContact OG-N 3.11Å; F108-E155 HydrophobicContact CD1-CB 3.85Å; F108-E155 HydrophobicContact CD1-CG 4.14Å; F108-E155 HydrophobicContact CE1-CB 3.74Å; F108-E155 VanDerWaalsContact CE1-CD 3.48Å; F108-E155 HydrophobicContact CE1-CG 3.51Å; F108-E155 HydrophobicContact CE2-CB 4.47Å; F108-E155 HydrophobicContact CG-CB 4.27Å; F108-E155 HydrophobicContact CZ-CB 4.05Å; F108-E155 HydrophobicContact CZ-CG 3.74Å; F108-L158 HydrophobicContact CD2-CB 4.1Å; F108-L158 HydrophobicContact CE2-CB 4.08Å; F108-L158 HydrophobicContact CE2-CD1 3.79Å; F108-L158 HydrophobicContact CZ-CD1 4.47Å; F108-A159 HydrophobicContact CB-CB 3.86Å; F108-V186 WeakPolarHBondContact CA-O 3.18Å; F108-V186 WeakPolarHBondContact CD1-O 3.31Å; F108-L188 PolarHBondContact O-N 2.53Å; F108-L320 WeakPolarHBondContact CZ-O 3.09Å; F108-K323 HydrophobicContact CE1-CD 4.47Å; F108-K323 HydrophobicContact CE1-CG 4Å; F108-K323 HydrophobicContact CZ-CG 4.23Å
109	L	85.3	Confident	68.4	Low	5 Å²	5	37.4 Å²	37.4	3%	0.026	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-122.4	133.3	178.1	-59.7	179	0	0	0	109.4	I103 A159 L163 L188 F191	I103-L109 HydrophobicContact CB-CD1 4.4Å; I103-L109 HydrophobicContact CG1-CD1 4.46Å; I103-L109 HydrophobicContact CG2-CB 3.95Å; I103-L109 HydrophobicContact CG2-CD1 3.93Å; L109-A159 HydrophobicContact CD2-CB 3.76Å; L109-A159 HydrophobicContact CG-CB 4.46Å; L109-L163 HydrophobicContact CD1-CD2 3.91Å; L109-L163 HydrophobicContact CD1-CG 4.04Å; L109-L163 HydrophobicContact CD2-CD1 4.01Å; L109-L163 HydrophobicContact CD2-CG 4.24Å; L109-L188 HydrophobicContact CD2-CB 4.08Å; L109-L188 HydrophobicContact CD2-CD1 4.08Å; L109-L188 HydrophobicContact CD2-CG 4.39Å; L109-F191 HydrophobicContact CB-CE2 4.14Å; L109-F191 HydrophobicContact CB-CZ 3.7Å; L109-F191 HydrophobicContact CD2-CE1 3.89Å; L109-F191 HydrophobicContact CD2-CZ 3.58Å; L109-F191 HydrophobicContact CG-CZ 4.12Å
110	V	80	Confident	68.9	Low	5 Å²	5	37.3 Å²	37.3	3%	0.03	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-65.1	135.3	179.3	80.8	0	0	0	0	112	L126 D127 V129 V187 L188 T189 F191	V110-L126 HydrophobicContact CG1-CD2 4.19Å; V110-L126 HydrophobicContact CG2-CB 4.12Å; V110-D127 HydrophobicContact CG2-CB 3.85Å; V110-V129 HydrophobicContact CG2-CG2 4.49Å; V110-V187 HydrophobicContact CB-CG1 3.93Å; V110-V187 HydrophobicContact CG2-CG1 4.37Å; V110-L188 PolarHBondContact N-O 3.13Å; V110-T189 HydrophobicContact CB-CG2 4.15Å; V110-T189 HydrophobicContact CG1-CG2 4.36Å; V110-T189 HydrophobicContact CG2-CG2 4.37Å; V110-F191 HydrophobicContact CB-CE2 4.39Å; V110-F191 HydrophobicContact CG1-CD2 3.96Å; V110-F191 HydrophobicContact CG1-CE2 3.63Å; V110-F191 WeakPolarHBondContact O-CE2 3.36Å
111	T	76.8	Confident	69.5	Low	17 Å²	17	36 Å²	36	10%	0.104	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-85.6	134.2	177.2	-62.4	0	0	0	0	111.1	R104 L126 D127	R104-T111 HydrophobicContact CG-CG2 3.97Å; T111-L126 WeakPolarHBondContact O-CA 3.4Å; T111-D127 WeakPolarHBondContact CA-OD2 3.45Å; T111-D127 WeakPolarHBondContact CB-OD2 3.38Å; T111-D127 PolarHBondContact N-OD2 2.86Å; T111-D127 PolarHBondContact O-N 2.85Å; T111-D127 PolarHBondContact OG1-OD2 3.24Å
112	L	70.9	Confident	70.1	Confident	31 Å²	31	33.6 Å²	33.6	16%	0.162	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.3	164.9	-175.5	70.3	0	0	0	110.1	L100 Y114 L124 L126 F371 A373	L100-L112 HydrophobicContact CD1-CD2 4.37Å; L100-L112 HydrophobicContact CD2-CB 4.5Å; L100-L112 HydrophobicContact CD2-CD2 4.39Å; L112-Y114 WeakPolarHBondContact CD1-O 3.47Å; L112-L124 HydrophobicContact CD1-CB 3.9Å; L112-L124 HydrophobicContact CD1-CD2 3.74Å; L112-L124 HydrophobicContact CD1-CG 4.38Å; L112-L124 HydrophobicContact CD2-CD2 4.37Å; L112-L126 HydrophobicContact CB-CD2 4.27Å; L112-L126 HydrophobicContact CD1-CD2 3.71Å; L112-F371 HydrophobicContact CB-CE1 4.4Å; L112-F371 HydrophobicContact CD2-CD1 3.69Å; L112-F371 HydrophobicContact CD2-CE1 3.8Å; L112-F371 HydrophobicContact CG-CD1 3.95Å; L112-F371 HydrophobicContact CG-CE1 3.88Å; L112-A373 WeakPolarHBondContact O-CB 3.49Å
113	H	68.3	Low	70.8	Confident	10 Å²	10	31.1 Å²	31.1	5%	0.046	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-44.1	-175	-82.3	-59.6	0	0	0	113	Y73 I125 D127 I372 A373 I376	Y73-H113 HydrophobicContact CD1-CB 4.28Å; Y73-H113 AromaticContact CD1-CD2 3.78Å; Y73-H113 HydrophobicContact CE1-CB 3.95Å; Y73-H113 AromaticContact CE1-CD2 3.48Å; Y73-H113 VanDerWaalsContact CE1-CD2 3.48Å; Y73-H113 WeakPolarHBondContact CE1-CD2 3.47Å; Y73-H113 AromaticContact CE1-CG 3.56Å; Y73-H113 AromaticContact CE1-NE2 3.92Å; H113-I125 WeakPolarHBondContact CA-O 3.49Å; H113-I125 HydrophobicContact CB-CG2 4.41Å; H113-I125 WeakPolarHBondContact CB-O 3.26Å; H113-I125 PolarHBondContact N-O 3.34Å; H113-D127 IonicContact CD2-OD1 3.27Å; H113-D127 PolarHBondContact CD2-OD1 2.78Å; H113-D127 IonicContact CE1-OD1 2.71Å; H113-D127 IonicContact NE2-OD1 3.72Å; H113-D127 PolarHBondContact NE2-OD1 2.81Å; H113-I372 CarbonylContact O-C 3.46Å; H113-A373 WeakPolarHBondContact O-CB 3.35Å; H113-A373 PolarHBondContact O-N 3.44Å; H113-I376 HydrophobicContact CB-CD1 3.35Å; H113-I376 WeakPolarHBondContact ND1-CD1 3.28Å; H113-I376 WeakPolarHBondContact O-CD1 3.35Å
114	Y	69	Low	71.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.3	172.7	-51	-100.4	0	0	0	110.1	V39 F44 K63 D68 Y73 L112 I125 F371 I372 I376	V39-Y114 HydrophobicContact CB-CD1 4.14Å; V39-Y114 HydrophobicContact CG1-CD1 3.73Å; V39-Y114 HydrophobicContact CG1-CE1 4.27Å; V39-Y114 HydrophobicContact CG1-CG 4.19Å; V39-Y114 HydrophobicContact CG2-CD1 3.8Å; V39-Y114 HydrophobicContact CG2-CE1 3.83Å; F44-Y114 HydrophobicContact CZ-CD2 4.04Å; F44-Y114 HydrophobicContact CZ-CE2 4.24Å; F44-Y114 HydrophobicContact CZ-CG 4.4Å; K63-Y114 HydrophobicContact CD-CE2 4.24Å; K63-Y114 WeakPolarHBondContact CE-OH 3.48Å; K63-Y114 PolarHBondContact NZ-OH 2.96Å; D68-Y114 PolarHBondContact OD1-OH 3.37Å; D68-Y114 PolarHBondContact OD2-OH 2.98Å; Y73-Y114 HydrophobicContact CE2-CE2 4.16Å; L112-Y114 WeakPolarHBondContact CD1-O 3.47Å; Y114-I125 HydrophobicContact CD2-CB 3.74Å; Y114-I125 HydrophobicContact CD2-CG1 4.09Å; Y114-I125 HydrophobicContact CD2-CG2 3.71Å; Y114-I125 HydrophobicContact CE2-CG2 4.45Å; Y114-I125 HydrophobicContact CG-CB 4.23Å; Y114-I125 HydrophobicContact CG-CG1 4.26Å; Y114-I125 PolarHBondContact N-O 2.89Å; Y114-I125 PolarHBondContact O-N 3.33Å; Y114-F371 CarbonylContact C-O 3.56Å; Y114-F371 VanDerWaalsContact CA-O 3.3Å; Y114-F371 WeakPolarHBondContact CA-O 3.29Å; Y114-I372 HydrophobicContact CD1-CB 4.06Å; Y114-I372 HydrophobicContact CD1-CG1 3.93Å; Y114-I372 HydrophobicContact CD1-CG2 3.56Å; Y114-I372 HydrophobicContact CE1-CB 4.4Å; Y114-I372 HydrophobicContact CE1-CG1 4.42Å; Y114-I372 HydrophobicContact CE1-CG2 3.44Å; Y114-I372 VanDerWaalsContact CE1-CG2 3.44Å; Y114-I376 HydrophobicContact CD2-CD1 3.82Å; Y114-I376 HydrophobicContact CE1-CD1 4.22Å; Y114-I376 HydrophobicContact CE1-CG2 4.1Å; Y114-I376 HydrophobicContact CE2-CD1 3.26Å; Y114-I376 HydrophobicContact CE2-CG1 4.38Å; Y114-I376 HydrophobicContact CG-CD1 4.49Å; Y114-I376 VanDerWaalsContact CZ-CD1 3.46Å; Y114-I376 WeakPolarHBondContact OH-CG2 3.33Å
115	A	64.3	Low	71.9	Confident	6 Å²	6	28.3 Å²	28.3	5%	0.05	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	145.3	158.3	0	0	0	0	0	109.5	H123 L124 Y369 S370 F371	A115-H123 CarbonylContact C-O 3.52Å; A115-H123 WeakPolarHBondContact CA-O 3.07Å; A115-L124 HydrophobicContact CB-CD2 3.74Å; A115-Y369 HydrophobicContact CB-CD1 4.31Å; A115-Y369 HydrophobicContact CB-CE1 3.9Å; A115-S370 CarbonylContact O-C 3.52Å; A115-S370 WeakPolarHBondContact O-CA 3.2Å; A115-F371 HydrophobicContact CB-CB 3.79Å; A115-F371 PolarHBondContact N-O 3.11Å; A115-F371 PolarHBondContact O-N 3.47Å; A115-F371 VanDerWaalsContact O-O 3.05Å
116	F	67.3	Low	72.6	Confident	5 Å²	5	22.7 Å²	22.7	2%	0.022	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	168.5	173.5	60.3	-92.2	0	0	0	110.6	V39 M41 F44 M75 H123 I125 Y369	V39-F116 HydrophobicContact CG1-CD1 3.99Å; V39-F116 HydrophobicContact CG1-CE1 4.22Å; V39-F116 WeakPolarHBondContact O-CB 3.32Å; V39-F116 WeakPolarHBondContact O-CG 3.33Å; M41-F116 HydrophobicContact CG-CE2 3.9Å; M41-F116 HydrophobicContact CG-CZ 4.43Å; M41-F116 HydrophobicContact SD-CE2 3.71Å; M41-F116 HydrophobicContact SD-CZ 3.8Å; F44-F116 HydrophobicContact CD2-CE1 4.08Å; F44-F116 HydrophobicContact CD2-CZ 4.17Å; F44-F116 AromaticContact CE2-CE1 3.63Å; F44-F116 HydrophobicContact CE2-CE1 3.63Å; F44-F116 HydrophobicContact CE2-CZ 4.18Å; M75-F116 HydrophobicContact CE-CZ 3.99Å; F116-H123 HydrophobicContact CD1-CB 4.09Å; F116-H123 HydrophobicContact CD2-CB 3.85Å; F116-H123 AromaticContact CD2-CG 3.78Å; F116-H123 AromaticContact CD2-ND1 3.63Å; F116-H123 HydrophobicContact CE1-CB 3.84Å; F116-H123 HydrophobicContact CE2-CB 3.57Å; F116-H123 AromaticContact CE2-CD2 3.82Å; F116-H123 AromaticContact CE2-CG 3.32Å; F116-H123 AromaticContact CE2-ND1 3.52Å; F116-H123 HydrophobicContact CG-CB 4.09Å; F116-H123 HydrophobicContact CZ-CB 3.58Å; F116-H123 AromaticContact CZ-CG 3.74Å; F116-H123 PolarHBondContact N-O 3.06Å; F116-H123 WeakPolarHBondContact O-CB 3.34Å; F116-H123 PolarHBondContact O-N 2.77Å; F116-H123 PolarHBondContact O-ND1 3.27Å; F116-I125 HydrophobicContact CE1-CD1 3.93Å; F116-I125 HydrophobicContact CE1-CG1 3.95Å; F116-Y369 WeakPolarHBondContact O-CE1 3.36Å
117	Q	61	Low	72.9	Confident	57 Å²	57	24.6 Å²	24.6	27%	0.266	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.6	-175.1	64.1	178.7	-46.7	0	0	112.5	K121 L122 F366 Y369	Q117-K121 WeakPolarHBondContact CA-O 3.15Å; Q117-L122 HydrophobicContact CB-CD2 3.7Å; Q117-F366 PolarHBondContact NE2-O 3.22Å; Q117-F366 PolarHBondContact OE1-O 2.96Å; Q117-Y369 HydrophobicContact CB-CD1 4.05Å
118	T	68.2	Low	72.9	Confident	44 Å²	44	23.4 Å²	23.4	27%	0.27	12%	0.12	S	C	.	.			trans	-108.6	-178.6	163.6	61	0	0	0	0	108.9	K80 S120 K121	K80-T118 WeakPolarHBondContact CE-O 3.35Å; K80-T118 PolarHBondContact NZ-O 3.48Å; T118-S120 VanDerWaalsContact C-N 3.26Å; T118-S120 PolarHBondContact O-N 3.05Å; T118-K121 PolarHBondContact N-O 3.21Å; T118-K121 PolarHBondContact OG1-N 3.4Å; T118-K121 VanDerWaalsContact OG1-N 3.13Å; T118-K121 PolarHBondContact OG1-O 2.98Å
119	Q	65.4	Low	72.8	Confident	141 Å²	141	23.8 Å²	23.8	66%	0.659	12%	0.122	S	C	*	.	S	Bend	trans	-59.2	-36.2	178.2	-65.3	179.2	5.7	0	0	112.5	K80 T358	K80-Q119 WeakPolarHBondContact CD-O 3.31Å; Q119-T358 HydrophobicContact CB-CG2 4.14Å
120	S	61.8	Low	72.6	Confident	17 Å²	17	24.5 Å²	24.5	12%	0.119	13%	0.127	C	C	.	.	S	Bend	trans	-114.6	-11.5	-175.3	57.8	0	0	0	0	115.8	K80 T118 A356	K80-S120 WeakPolarHBondContact CB-O 3.47Å; K80-S120 PolarHBondContact N-O 3.35Å; T118-S120 VanDerWaalsContact C-N 3.26Å; T118-S120 PolarHBondContact O-N 3.05Å; S120-A356 VanDerWaalsContact CB-O 3.24Å; S120-A356 WeakPolarHBondContact CB-O 3.26Å; S120-A356 PolarHBondContact OG-O 2.96Å; S120-A356 VanDerWaalsContact OG-O 3.07Å
121	K	66.9	Low	72.7	Confident	12 Å²	12	24.2 Å²	24.2	5%	0.052	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	157.3	-177.9	-49.4	-171.6	-153.9	168	0	113.6	V77 L78 Q117 T118 Y353 S354 A356	V77-K121 HydrophobicContact CG1-CB 4.13Å; V77-K121 HydrophobicContact CG1-CD 3.4Å; V77-K121 VanDerWaalsContact CG1-CD 3.4Å; V77-K121 HydrophobicContact CG1-CG 4.37Å; L78-K121 CarbonylContact O-C 3.52Å; L78-K121 VanDerWaalsContact O-CA 3.22Å; L78-K121 WeakPolarHBondContact O-CA 3.41Å; L78-K121 WeakPolarHBondContact O-CB 2.98Å; Q117-K121 WeakPolarHBondContact CA-O 3.15Å; T118-K121 PolarHBondContact N-O 3.21Å; T118-K121 PolarHBondContact OG1-N 3.4Å; T118-K121 VanDerWaalsContact OG1-N 3.13Å; T118-K121 PolarHBondContact OG1-O 2.98Å; K121-Y353 HydrophobicContact CD-CE2 3.94Å; K121-Y353 WeakPolarHBondContact CD-OH 3.33Å; K121-S354 VanDerWaalsContact CE-O 3.27Å; K121-S354 WeakPolarHBondContact CE-O 3.22Å; K121-S354 PolarHBondContact NZ-O 2.88Å; K121-A356 HydrophobicContact CD-CB 4.48Å; K121-A356 HydrophobicContact CG-CB 4.14Å
122	L	65.4	Low	72.9	Confident	5 Å²	5	23.4 Å²	23.4	3%	0.026	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	145.8	170.1	-57	-179.5	0	0	0	108.8	V77 L78 K80 I83 Q117 F366 Y369	V77-L122 CarbonylContact C-O 3.55Å; V77-L122 WeakPolarHBondContact CA-O 3.32Å; L78-L122 HydrophobicContact CB-CB 4.32Å; L78-L122 PolarHBondContact N-O 3.48Å; L78-L122 PolarHBondContact O-N 3.38Å; K80-L122 HydrophobicContact CD-CD2 4.34Å; K80-L122 HydrophobicContact CG-CD2 4.04Å; K80-L122 HydrophobicContact CG-CG 3.94Å; I83-L122 HydrophobicContact CD1-CD1 3.47Å; I83-L122 VanDerWaalsContact CD1-CD1 3.47Å; I83-L122 HydrophobicContact CD1-CG 4.32Å; Q117-L122 HydrophobicContact CB-CD2 3.7Å; L122-F366 HydrophobicContact CD1-CD1 3.89Å; L122-F366 HydrophobicContact CD1-CE1 3.84Å; L122-F366 HydrophobicContact CD2-CB 4.46Å; L122-F366 HydrophobicContact CD2-CD1 4.11Å; L122-F366 HydrophobicContact CD2-CG 4.32Å; L122-Y369 HydrophobicContact CB-CD1 4.41Å; L122-Y369 HydrophobicContact CB-CE1 3.67Å; L122-Y369 HydrophobicContact CB-CE2 4.29Å; L122-Y369 HydrophobicContact CD1-CD2 4.14Å; L122-Y369 HydrophobicContact CD1-CE1 4.5Å; L122-Y369 HydrophobicContact CD1-CE2 3.68Å; L122-Y369 HydrophobicContact CD2-CD1 3.82Å; L122-Y369 HydrophobicContact CD2-CD2 4.04Å; L122-Y369 HydrophobicContact CD2-CE1 3.94Å; L122-Y369 HydrophobicContact CD2-CE2 4.19Å; L122-Y369 HydrophobicContact CD2-CG 3.88Å; L122-Y369 HydrophobicContact CG-CE1 4.23Å; L122-Y369 HydrophobicContact CG-CE2 4.27Å
123	H	70.7	Confident	73.4	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.3	-175.9	-51	74.6	0	0	0	108.4	M41 K76 A115 F116 Y353	M41-H123 PolarHBondContact SD-CD2 2.78Å; M41-H123 PolarHBondContact SD-NE2 3.12Å; K76-H123 CarbonylContact O-C 3.6Å; K76-H123 WeakPolarHBondContact O-CA 3.02Å; A115-H123 CarbonylContact C-O 3.52Å; A115-H123 WeakPolarHBondContact CA-O 3.07Å; F116-H123 HydrophobicContact CD1-CB 4.09Å; F116-H123 HydrophobicContact CD2-CB 3.85Å; F116-H123 AromaticContact CD2-CG 3.78Å; F116-H123 AromaticContact CD2-ND1 3.63Å; F116-H123 HydrophobicContact CE1-CB 3.84Å; F116-H123 HydrophobicContact CE2-CB 3.57Å; F116-H123 AromaticContact CE2-CD2 3.82Å; F116-H123 AromaticContact CE2-CG 3.32Å; F116-H123 AromaticContact CE2-ND1 3.52Å; F116-H123 HydrophobicContact CG-CB 4.09Å; F116-H123 HydrophobicContact CZ-CB 3.58Å; F116-H123 AromaticContact CZ-CG 3.74Å; F116-H123 PolarHBondContact N-O 3.06Å; F116-H123 WeakPolarHBondContact O-CB 3.34Å; F116-H123 PolarHBondContact O-N 2.77Å; F116-H123 PolarHBondContact O-ND1 3.27Å; H123-Y353 AromaticContact NE2-CE2 3.5Å; H123-Y353 WeakPolarHBondContact NE2-CE2 3.45Å; H123-Y353 AromaticContact NE2-CZ 3.76Å; H123-Y353 PolarHBondContact NE2-OH 3.23Å
124	L	71.6	Confident	74.2	Confident	29 Å²	29	23 Å²	23	15%	0.152	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.9	171.7	-61.9	170.6	0	0	0	107.1	M75 K76 L78 L112 A115 Y369	M75-L124 CarbonylContact C-O 3.54Å; M75-L124 WeakPolarHBondContact CA-O 3.23Å; K76-L124 HydrophobicContact CB-CB 4.35Å; K76-L124 PolarHBondContact N-O 2.85Å; K76-L124 PolarHBondContact O-N 3.21Å; L78-L124 HydrophobicContact CD1-CD1 4.12Å; L112-L124 HydrophobicContact CD1-CB 3.9Å; L112-L124 HydrophobicContact CD1-CD2 3.74Å; L112-L124 HydrophobicContact CD1-CG 4.38Å; L112-L124 HydrophobicContact CD2-CD2 4.37Å; A115-L124 HydrophobicContact CB-CD2 3.74Å; L124-Y369 WeakPolarHBondContact CD2-OH 3.48Å; L124-Y369 WeakPolarHBondContact CG-OH 3.1Å
125	I	79.9	Confident	74.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120	175.1	-50	-60.6	0	0	0	106.7	F44 Y73 M75 H113 Y114 F116	F44-I125 HydrophobicContact CD2-CD1 4.46Å; F44-I125 HydrophobicContact CE1-CD1 4.3Å; F44-I125 HydrophobicContact CE1-CG1 4.33Å; F44-I125 HydrophobicContact CE1-CG2 4.15Å; F44-I125 HydrophobicContact CE2-CD1 4.11Å; F44-I125 HydrophobicContact CE2-CG1 4.12Å; F44-I125 HydrophobicContact CZ-CD1 4.04Å; F44-I125 HydrophobicContact CZ-CG1 3.79Å; F44-I125 HydrophobicContact CZ-CG2 4.29Å; Y73-I125 HydrophobicContact CD1-CG2 3.91Å; Y73-I125 HydrophobicContact CD2-CG2 4.06Å; Y73-I125 HydrophobicContact CG-CG2 3.53Å; M75-I125 HydrophobicContact CB-CD1 3.59Å; M75-I125 HydrophobicContact CE-CD1 3.65Å; M75-I125 HydrophobicContact CG-CD1 3.51Å; M75-I125 HydrophobicContact SD-CD1 4.39Å; H113-I125 WeakPolarHBondContact CA-O 3.49Å; H113-I125 HydrophobicContact CB-CG2 4.41Å; H113-I125 WeakPolarHBondContact CB-O 3.26Å; H113-I125 PolarHBondContact N-O 3.34Å; Y114-I125 HydrophobicContact CD2-CB 3.74Å; Y114-I125 HydrophobicContact CD2-CG1 4.09Å; Y114-I125 HydrophobicContact CD2-CG2 3.71Å; Y114-I125 HydrophobicContact CE2-CG2 4.45Å; Y114-I125 HydrophobicContact CG-CB 4.23Å; Y114-I125 HydrophobicContact CG-CG1 4.26Å; Y114-I125 PolarHBondContact N-O 2.89Å; Y114-I125 PolarHBondContact O-N 3.33Å; F116-I125 HydrophobicContact CE1-CD1 3.93Å; F116-I125 HydrophobicContact CE1-CG1 3.95Å
126	L	80	Confident	75.3	Confident	21 Å²	21	28.3 Å²	28.3	11%	0.11	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	166	-171.3	-59.9	164.9	0	0	0	109.5	Y73 A74 K76 V110 T111 L112 Y128	Y73-L126 WeakPolarHBondContact CD1-O 3.47Å; A74-L126 HydrophobicContact CB-CB 4.35Å; A74-L126 PolarHBondContact N-O 3.42Å; A74-L126 PolarHBondContact O-N 3.19Å; K76-L126 HydrophobicContact CB-CD1 4.32Å; V110-L126 HydrophobicContact CG1-CD2 4.19Å; V110-L126 HydrophobicContact CG2-CB 4.12Å; T111-L126 WeakPolarHBondContact O-CA 3.4Å; L112-L126 HydrophobicContact CB-CD2 4.27Å; L112-L126 HydrophobicContact CD1-CD2 3.71Å; L126-Y128 PolarHBondContact O-N 3.03Å
127	D	82.9	Confident	76.1	Confident	51 Å²	51	28.1 Å²	28.1	27%	0.273	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	135.9	169	-63.2	-52.9	0	0	0	110.2	V110 T111 H113 V129	V110-D127 HydrophobicContact CG2-CB 3.85Å; T111-D127 WeakPolarHBondContact CA-OD2 3.45Å; T111-D127 WeakPolarHBondContact CB-OD2 3.38Å; T111-D127 PolarHBondContact N-OD2 2.86Å; T111-D127 PolarHBondContact O-N 2.85Å; T111-D127 PolarHBondContact OG1-OD2 3.24Å; H113-D127 IonicContact CD2-OD1 3.27Å; H113-D127 PolarHBondContact CD2-OD1 2.78Å; H113-D127 IonicContact CE1-OD1 2.71Å; H113-D127 IonicContact NE2-OD1 3.72Å; H113-D127 PolarHBondContact NE2-OD1 2.81Å; D127-V129 HydrophobicContact CB-CG2 4.26Å; D127-V129 PolarHBondContact O-N 3Å
128	Y	86	Confident	77.2	Confident	34 Å²	34	25.9 Å²	25.9	13%	0.133	13%	0.131	C	C	.	.			trans	-80.4	115.8	164.4	175.8	-127	0	0	0	109.1	L50 L60 L72 L126 D338 F342	L50-Y128 HydrophobicContact CD1-CD2 3.82Å; L50-Y128 HydrophobicContact CD1-CE2 3.75Å; L50-Y128 HydrophobicContact CD2-CE2 4.03Å; L60-Y128 HydrophobicContact CD1-CD1 3.81Å; L60-Y128 HydrophobicContact CD1-CD2 3.65Å; L60-Y128 HydrophobicContact CD1-CE1 3.96Å; L60-Y128 HydrophobicContact CD1-CE2 3.82Å; L60-Y128 HydrophobicContact CD1-CG 3.65Å; L72-Y128 HydrophobicContact CB-CD1 4.09Å; L72-Y128 HydrophobicContact CD1-CD1 4.29Å; L72-Y128 HydrophobicContact CD1-CE1 4.43Å; L126-Y128 PolarHBondContact O-N 3.03Å; Y128-D338 PolarHBondContact OH-O 3.39Å; Y128-F342 AromaticContact CE2-CE2 3.8Å; Y128-F342 HydrophobicContact CE2-CE2 3.8Å; Y128-F342 AromaticContact CE2-CZ 3.81Å; Y128-F342 HydrophobicContact CE2-CZ 3.81Å
129	V	86.1	Confident	77.7	Confident	9 Å²	9	32.6 Å²	32.6	6%	0.055	15%	0.153	C	C	.	.			trans	-104.7	94	-178.2	-177.8	0	0	0	0	107.9	V110 D127 G131 G132 L179 L180 D181 V187 F342	V110-V129 HydrophobicContact CG2-CG2 4.49Å; D127-V129 HydrophobicContact CB-CG2 4.26Å; D127-V129 PolarHBondContact O-N 3Å; V129-G131 VanDerWaalsContact C-N 3.34Å; V129-G131 PolarHBondContact O-N 3.09Å; V129-G132 PolarHBondContact O-N 3.41Å; V129-L179 HydrophobicContact CB-CB 4.05Å; V129-L179 HydrophobicContact CB-CD1 3.8Å; V129-L179 HydrophobicContact CG1-CB 3.53Å; V129-L179 HydrophobicContact CG1-CD1 4.24Å; V129-L179 HydrophobicContact CG2-CD1 4.38Å; V129-L180 VanDerWaalsContact CG1-C 3.49Å; V129-L180 WeakPolarHBondContact CG1-O 3.34Å; V129-D181 HydrophobicContact CG1-CB 4.4Å; V129-V187 HydrophobicContact CG1-CB 4.18Å; V129-V187 HydrophobicContact CG1-CG2 4.09Å; V129-V187 HydrophobicContact CG2-CB 4.2Å; V129-V187 HydrophobicContact CG2-CG1 4.03Å; V129-V187 HydrophobicContact CG2-CG2 4.34Å; V129-F342 VanDerWaalsContact O-CZ 3.31Å; V129-F342 WeakPolarHBondContact O-CZ 3.5Å
130	S	81.4	Confident	78.4	Confident	20 Å²	20	30.8 Å²	30.8	14%	0.14	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.4	-163.6	52.9	0	0	0	0	115.8	G132	S130-G132 PolarHBondContact O-N 3.21Å
131	G	81.7	Confident	79.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.9	177.1	0	0	0	0	0	114.1	V129 L180 N341	V129-G131 VanDerWaalsContact C-N 3.34Å; V129-G131 PolarHBondContact O-N 3.09Å; G131-L180 CarbonylContact C-O 3.58Å; G131-L180 WeakPolarHBondContact CA-O 3.31Å; G131-L180 PolarHBondContact N-O 3.27Å; G131-N341 WeakPolarHBondContact O-CB 3.48Å
132	G	81.6	Confident	80.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.181	C	C	.	.			trans	75.5	-166.5	171.4	0	0	0	0	0	114.7	V129 S130 L179 L180	V129-G132 PolarHBondContact O-N 3.41Å; S130-G132 PolarHBondContact O-N 3.21Å; G132-L179 CarbonylContact O-C 3.52Å; G132-L179 WeakPolarHBondContact O-CA 3.25Å; G132-L179 WeakPolarHBondContact O-CB 3.3Å; G132-L180 PolarHBondContact O-N 3.24Å
133	E	81.9	Confident	81.2	Confident	29 Å²	29	42.8 Å²	42.8	14%	0.136	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-82.5	137.1	-170.5	-70.5	174.9	-148.6	0	0	112.9	F135 T136 H137 L179	E133-F135 HydrophobicContact CB-CB 4.33Å; E133-F135 PolarHBondContact O-N 3.2Å; E133-T136 WeakPolarHBondContact O-CB 3.46Å; E133-T136 PolarHBondContact O-N 3.41Å; E133-H137 PolarHBondContact O-N 3.16Å; E133-L179 HydrophobicContact CB-CD2 4.13Å; E133-L179 HydrophobicContact CG-CD2 3.47Å; E133-L179 VanDerWaalsContact CG-CD2 3.47Å
134	M	85.4	Confident	82.2	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-58.1	-31.3	172.6	-168.7	66.7	-175.1	0	0	111.6	H137 L138 F144 Y152 L175 I178 L180 L242	M134-H137 PolarHBondContact O-N 2.82Å; M134-L138 WeakPolarHBondContact O-CB 3.34Å; M134-L138 PolarHBondContact O-N 3Å; M134-F144 HydrophobicContact CE-CD2 4.06Å; M134-F144 HydrophobicContact CE-CE1 4.25Å; M134-F144 HydrophobicContact CE-CE2 3.47Å; M134-F144 VanDerWaalsContact CE-CE2 3.47Å; M134-F144 HydrophobicContact CE-CZ 3.58Å; M134-F144 HydrophobicContact SD-CZ 4.42Å; M134-Y152 HydrophobicContact CE-CD2 3.52Å; M134-Y152 HydrophobicContact CE-CE2 3.65Å; M134-Y152 HydrophobicContact CE-CG 4.07Å; M134-L175 HydrophobicContact CB-CD2 4.41Å; M134-L175 HydrophobicContact CG-CD2 4Å; M134-I178 HydrophobicContact CB-CB 3.95Å; M134-I178 HydrophobicContact CB-CG2 3.8Å; M134-I178 VanDerWaalsContact CB-O 3.23Å; M134-I178 WeakPolarHBondContact CB-O 3.21Å; M134-I178 HydrophobicContact CG-CG2 4.16Å; M134-I178 PolarHBondContact N-O 3.18Å; M134-L180 HydrophobicContact SD-CD1 4.17Å; M134-L180 HydrophobicContact SD-CD2 3.86Å; M134-L180 HydrophobicContact SD-CG 4.14Å; M134-L242 HydrophobicContact CE-CD1 4.19Å; M134-L242 HydrophobicContact CE-CD2 3.46Å; M134-L242 VanDerWaalsContact CE-CD2 3.46Å; M134-L242 HydrophobicContact CE-CG 4.48Å; M134-L242 HydrophobicContact CG-CD2 4.15Å
135	F	79.1	Confident	83.2	Confident	97 Å²	97	45.4 Å²	45.4	43%	0.425	22%	0.218	S	C	.	.	H	α-helix	trans	-54.5	-51.3	170.7	-179.5	-98.5	0	0	0	112.4	E133 H137 L138 Y139 L175	E133-F135 HydrophobicContact CB-CB 4.33Å; E133-F135 PolarHBondContact O-N 3.2Å; F135-H137 VanDerWaalsContact C-N 3.31Å; F135-H137 PolarHBondContact O-N 3.18Å; F135-L138 PolarHBondContact O-N 2.71Å; F135-Y139 WeakPolarHBondContact O-CB 3.05Å; F135-Y139 PolarHBondContact O-N 2.8Å; F135-L175 HydrophobicContact CB-CB 3.89Å; F135-L175 HydrophobicContact CD2-CB 4.22Å; F135-L175 HydrophobicContact CD2-CD1 4.22Å
136	T	77.6	Confident	83.9	Confident	22 Å²	22	47.9 Å²	47.9	14%	0.135	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-41.2	179.4	-54.6	0	0	0	0	111.3	E133 Y139 Q140	E133-T136 WeakPolarHBondContact O-CB 3.46Å; E133-T136 PolarHBondContact O-N 3.41Å; T136-Y139 PolarHBondContact O-N 2.91Å; T136-Q140 VanDerWaalsContact O-CG 3.26Å; T136-Q140 WeakPolarHBondContact O-CG 3.36Å; T136-Q140 PolarHBondContact O-N 3.07Å
137	H	84.1	Confident	84.6	Confident	1 Å²	1	53 Å²	53	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-71.2	-33.1	179.1	-70.1	-50.1	0	0	0	114.4	E133 M134 F135 Q140 R141 F144 F329 N341	E133-H137 PolarHBondContact O-N 3.16Å; M134-H137 PolarHBondContact O-N 2.82Å; F135-H137 VanDerWaalsContact C-N 3.31Å; F135-H137 PolarHBondContact O-N 3.18Å; H137-Q140 VanDerWaalsContact CE1-CD 3.48Å; H137-Q140 PolarHBondContact CE1-OE1 2.95Å; H137-Q140 PolarHBondContact ND1-OE1 3.46Å; H137-R141 PolarHBondContact CE1-NH1 3.1Å; H137-R141 WeakPolarHBondContact O-CD 3.38Å; H137-R141 WeakPolarHBondContact O-CG 3.36Å; H137-R141 PolarHBondContact O-NH1 3.36Å; H137-F144 HydrophobicContact CB-CZ 4.13Å; H137-F329 AromaticContact ND1-CE1 3.72Å; H137-F329 AromaticContact NE2-CE1 3.77Å; H137-N341 PolarHBondContact NE2-OD1 2.97Å
138	L	83.9	Confident	85.1	Confident	10 Å²	10	51 Å²	51	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-49.8	170.3	-177.7	64.3	0	0	0	110.5	M134 F135 Q140 R141 D142 F144 L175 E241 L242	M134-L138 WeakPolarHBondContact O-CB 3.34Å; M134-L138 PolarHBondContact O-N 3Å; F135-L138 PolarHBondContact O-N 2.71Å; L138-Q140 VanDerWaalsContact C-N 3.27Å; L138-Q140 PolarHBondContact O-N 3.39Å; L138-R141 CarbonylContact O-C 3.6Å; L138-R141 PolarHBondContact O-N 3.34Å; L138-D142 PolarHBondContact O-N 3.34Å; L138-F144 HydrophobicContact CB-CE2 3.97Å; L138-F144 HydrophobicContact CD1-CD2 3.7Å; L138-F144 HydrophobicContact CD1-CE2 3.82Å; L138-L175 HydrophobicContact CD2-CD1 3.63Å; L138-L175 HydrophobicContact CD2-CD2 4.14Å; L138-E241 HydrophobicContact CD2-CB 4.47Å; L138-L242 HydrophobicContact CD1-CD2 4.41Å; L138-L242 HydrophobicContact CD2-CD2 4.49Å
139	Y	79	Confident	85.6	Confident	184 Å²	184	49.3 Å²	49.3	72%	0.722	24%	0.237	S	C	*	.	H	α-helix	trans	-58.3	-37.3	-179.5	-175.6	-98.5	0	0	0	113	F135 T136 R141	F135-Y139 WeakPolarHBondContact O-CB 3.05Å; F135-Y139 PolarHBondContact O-N 2.8Å; T136-Y139 PolarHBondContact O-N 2.91Å; Y139-R141 VanDerWaalsContact C-N 3.26Å; Y139-R141 PolarHBondContact O-N 3.35Å
140	Q	79.6	Confident	86.1	Confident	104 Å²	104	51.8 Å²	51.8	49%	0.486	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-14	175.4	-73.9	170.8	-5.3	0	0	115	T136 H137 L138	T136-Q140 VanDerWaalsContact O-CG 3.26Å; T136-Q140 WeakPolarHBondContact O-CG 3.36Å; T136-Q140 PolarHBondContact O-N 3.07Å; H137-Q140 VanDerWaalsContact CE1-CD 3.48Å; H137-Q140 PolarHBondContact CE1-OE1 2.95Å; H137-Q140 PolarHBondContact ND1-OE1 3.46Å; L138-Q140 VanDerWaalsContact C-N 3.27Å; L138-Q140 PolarHBondContact O-N 3.39Å
141	R	82.1	Confident	86.8	Confident	73 Å²	73	51.8 Å²	51.8	28%	0.275	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-4.2	-169.8	-71.2	169.4	-176	63.3	7.3	113.9	H137 L138 Y139 H143 F329	H137-R141 PolarHBondContact CE1-NH1 3.1Å; H137-R141 WeakPolarHBondContact O-CD 3.38Å; H137-R141 WeakPolarHBondContact O-CG 3.36Å; H137-R141 PolarHBondContact O-NH1 3.36Å; L138-R141 CarbonylContact O-C 3.6Å; L138-R141 PolarHBondContact O-N 3.34Å; Y139-R141 VanDerWaalsContact C-N 3.26Å; Y139-R141 PolarHBondContact O-N 3.35Å; R141-H143 PolarHBondContact O-N 3.13Å; R141-F329 VanDerWaalsContact NH2-CE1 3.28Å
142	D	82.3	Confident	87.5	Confident	123 Å²	123	51.9 Å²	51.9	66%	0.658	24%	0.244	S	C	*	.	S	Bend	trans	58.6	-49.8	-162.8	-55	-43.8	0	0	0	114.2	L138 G245	L138-D142 PolarHBondContact O-N 3.34Å; D142-G245 WeakPolarHBondContact O-CA 3.17Å; D142-G245 PolarHBondContact O-N 3.42Å
143	H	87.4	Confident	88.2	Confident	89 Å²	89	51.9 Å²	51.9	41%	0.412	24%	0.244	S	C	.	.	S	Bend	trans	-155	163	-177.9	62.8	-64.3	0	0	0	111.9	R141	R141-H143 PolarHBondContact O-N 3.13Å
144	F	91.8	Very high	88.9	Confident	13 Å²	13	50.5 Å²	50.5	6%	0.057	24%	0.237	C	C	.	.			trans	-103.3	153.2	173.3	-70.4	-87.8	0	0	0	111.8	M134 H137 L138 A148 V149 Y152 L242	M134-F144 HydrophobicContact CE-CD2 4.06Å; M134-F144 HydrophobicContact CE-CE1 4.25Å; M134-F144 HydrophobicContact CE-CE2 3.47Å; M134-F144 VanDerWaalsContact CE-CE2 3.47Å; M134-F144 HydrophobicContact CE-CZ 3.58Å; M134-F144 HydrophobicContact SD-CZ 4.42Å; H137-F144 HydrophobicContact CB-CZ 4.13Å; L138-F144 HydrophobicContact CB-CE2 3.97Å; L138-F144 HydrophobicContact CD1-CD2 3.7Å; L138-F144 HydrophobicContact CD1-CE2 3.82Å; F144-A148 HydrophobicContact CB-CB 4.14Å; F144-A148 HydrophobicContact CD1-CB 4.13Å; F144-V149 HydrophobicContact CB-CG2 3.68Å; F144-Y152 AromaticContact CD1-CE2 3.99Å; F144-Y152 HydrophobicContact CD1-CE2 3.99Å; F144-Y152 AromaticContact CE1-CE2 3.87Å; F144-Y152 HydrophobicContact CE1-CE2 3.87Å; F144-Y152 HydrophobicContact CZ-CE2 4.45Å; F144-L242 WeakPolarHBondContact CB-O 3.1Å; F144-L242 HydrophobicContact CD2-CB 4.48Å; F144-L242 HydrophobicContact CD2-CD2 3.88Å; F144-L242 HydrophobicContact CE2-CD2 3.99Å; F144-L242 PolarHBondContact N-O 3.44Å
145	S	94.3	Very high	89.4	Confident	72 Å²	72	50.4 Å²	50.4	50%	0.503	24%	0.237	S	C	.	.			trans	-67.9	153.5	172.3	70.8	0	0	0	0	111.6	E147 A148 V149	S145-E147 PolarHBondContact O-N 3.18Å; S145-E147 VanDerWaalsContact O-N 3.09Å; S145-A148 PolarHBondContact O-N 2.89Å; S145-A148 PolarHBondContact OG-N 2.94Å; S145-V149 WeakPolarHBondContact O-CG2 3.29Å; S145-V149 PolarHBondContact O-N 2.85Å
146	E	94.4	Very high	90.2	Very high	52 Å²	52	45.9 Å²	45.9	24%	0.243	22%	0.217	C	C	.	.	H	α-helix	trans	-56.1	-28.8	176.2	-77	-165.6	-168.5	0	0	113.4	R150 L243 G277 A280 F311	E146-R150 VanDerWaalsContact O-CB 3.27Å; E146-R150 WeakPolarHBondContact O-CB 3.3Å; E146-R150 PolarHBondContact O-N 3.49Å; E146-L243 HydrophobicContact CB-CD2 4.46Å; E146-L243 HydrophobicContact CG-CD2 3.74Å; E146-G277 WeakPolarHBondContact OE1-CA 3.38Å; E146-G277 PolarHBondContact OE1-N 3.03Å; E146-A280 HydrophobicContact CG-CB 4.3Å; E146-A280 WeakPolarHBondContact OE1-CB 3.45Å; E146-F311 HydrophobicContact CB-CE2 4.23Å; E146-F311 HydrophobicContact CG-CE2 4.39Å
147	E	93.4	Very high	91.1	Very high	128 Å²	128	44.8 Å²	44.8	60%	0.598	21%	0.211	S	C	*	.	H	α-helix	trans	-71.5	-43.2	175.8	-179	162.4	-144.1	0	0	112.4	S145 R150 I151	S145-E147 PolarHBondContact O-N 3.18Å; S145-E147 VanDerWaalsContact O-N 3.09Å; E147-R150 WeakPolarHBondContact O-CB 3.44Å; E147-R150 PolarHBondContact O-N 2.91Å; E147-I151 PolarHBondContact O-N 3.37Å
148	A	94.6	Very high	91.6	Very high	8 Å²	8	45.7 Å²	45.7	7%	0.066	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-46.4	173.5	0	0	0	0	0	111.4	F144 S145 R150 I151 Y152 P328	F144-A148 HydrophobicContact CB-CB 4.14Å; F144-A148 HydrophobicContact CD1-CB 4.13Å; S145-A148 PolarHBondContact O-N 2.89Å; S145-A148 PolarHBondContact OG-N 2.94Å; A148-R150 VanDerWaalsContact C-N 3.3Å; A148-R150 PolarHBondContact O-N 2.92Å; A148-I151 PolarHBondContact O-N 2.78Å; A148-Y152 HydrophobicContact CB-CE2 4.37Å; A148-Y152 WeakPolarHBondContact O-CD2 3.19Å; A148-Y152 PolarHBondContact O-N 2.85Å; A148-P328 HydrophobicContact CB-CB 3.47Å; A148-P328 VanDerWaalsContact CB-CB 3.47Å; A148-P328 HydrophobicContact CB-CG 3.84Å
149	V	95.9	Very high	91.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-36.9	176.7	177.5	0	0	0	0	111.7	F144 S145 I151 I153 M239 L242 L243 F311	F144-V149 HydrophobicContact CB-CG2 3.68Å; S145-V149 WeakPolarHBondContact O-CG2 3.29Å; S145-V149 PolarHBondContact O-N 2.85Å; V149-I151 VanDerWaalsContact C-N 3.3Å; V149-I151 PolarHBondContact O-N 2.84Å; V149-I153 HydrophobicContact CG1-CG1 3.66Å; V149-I153 WeakPolarHBondContact O-CB 3.46Å; V149-I153 VanDerWaalsContact O-CG1 3.25Å; V149-I153 WeakPolarHBondContact O-CG1 3.36Å; V149-I153 PolarHBondContact O-N 2.96Å; V149-M239 HydrophobicContact CG1-CG 3.93Å; V149-L242 HydrophobicContact CG1-CB 4.44Å; V149-L242 HydrophobicContact CG2-CB 3.77Å; V149-L243 HydrophobicContact CB-CD2 3.97Å; V149-L243 HydrophobicContact CB-CG 4.38Å; V149-L243 HydrophobicContact CG1-CD1 4.47Å; V149-L243 HydrophobicContact CG1-CD2 4.17Å; V149-L243 HydrophobicContact CG1-CG 4.08Å; V149-L243 HydrophobicContact CG2-CD2 3.68Å; V149-L243 HydrophobicContact CG2-CG 4.03Å; V149-F311 HydrophobicContact CG1-CZ 4.35Å
150	R	96.6	Very high	92.4	Very high	61 Å²	61	36.4 Å²	36.4	23%	0.23	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-41.4	175.2	-176.8	-169.3	-59.8	120.2	9.9	112.3	E146 E147 A148 G154 F311 F312 L315	E146-R150 VanDerWaalsContact O-CB 3.27Å; E146-R150 WeakPolarHBondContact O-CB 3.3Å; E146-R150 PolarHBondContact O-N 3.49Å; E147-R150 WeakPolarHBondContact O-CB 3.44Å; E147-R150 PolarHBondContact O-N 2.91Å; A148-R150 VanDerWaalsContact C-N 3.3Å; A148-R150 PolarHBondContact O-N 2.92Å; R150-G154 PolarHBondContact O-N 3.42Å; R150-G154 VanDerWaalsContact O-N 3.15Å; R150-F311 HydrophobicContact CB-CE1 3.98Å; R150-F311 HydrophobicContact CB-CZ 4.08Å; R150-F311 WeakPolarHBondContact CD-O 3.49Å; R150-F311 HydrophobicContact CG-CE1 4.39Å; R150-F311 PolarHBondContact NE-O 2.81Å; R150-F312 HydrophobicContact CG-CD1 3.91Å; R150-L315 HydrophobicContact CG-CD2 4.26Å
151	I	96.4	Very high	93	Very high	20 Å²	20	32.4 Å²	32.4	10%	0.103	16%	0.159	C	C	.	.	H	α-helix	trans	-72.2	-55.9	179.1	-65.6	165	0	0	0	109.7	E147 A148 V149 I153 G154 E155 L320 V325 P328	E147-I151 PolarHBondContact O-N 3.37Å; A148-I151 PolarHBondContact O-N 2.78Å; V149-I151 VanDerWaalsContact C-N 3.3Å; V149-I151 PolarHBondContact O-N 2.84Å; I151-I153 PolarHBondContact O-N 3.43Å; I151-G154 CarbonylContact O-C 3.52Å; I151-G154 WeakPolarHBondContact O-CA 3.39Å; I151-G154 PolarHBondContact O-N 3.12Å; I151-E155 WeakPolarHBondContact O-CG 3.25Å; I151-E155 PolarHBondContact O-N 2.93Å; I151-L320 HydrophobicContact CG2-CD1 4.03Å; I151-V325 HydrophobicContact CD1-CG1 4.07Å; I151-V325 HydrophobicContact CG1-CG1 4.22Å; I151-P328 HydrophobicContact CB-CG 3.89Å; I151-P328 HydrophobicContact CD1-CG 3.98Å; I151-P328 HydrophobicContact CG2-CG 4.16Å
152	Y	95.8	Very high	93.2	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-44.4	-177.9	-65.4	-45.7	0	0	0	113.5	M134 F144 A148 G154 E155 I156 L180 G184 V186 P328	M134-Y152 HydrophobicContact CE-CD2 3.52Å; M134-Y152 HydrophobicContact CE-CE2 3.65Å; M134-Y152 HydrophobicContact CE-CG 4.07Å; F144-Y152 AromaticContact CD1-CE2 3.99Å; F144-Y152 HydrophobicContact CD1-CE2 3.99Å; F144-Y152 AromaticContact CE1-CE2 3.87Å; F144-Y152 HydrophobicContact CE1-CE2 3.87Å; F144-Y152 HydrophobicContact CZ-CE2 4.45Å; A148-Y152 HydrophobicContact CB-CE2 4.37Å; A148-Y152 WeakPolarHBondContact O-CD2 3.19Å; A148-Y152 PolarHBondContact O-N 2.85Å; Y152-G154 VanDerWaalsContact C-N 3.29Å; Y152-G154 PolarHBondContact O-N 3.23Å; Y152-E155 PolarHBondContact O-N 2.91Å; Y152-I156 WeakPolarHBondContact O-CD1 3.11Å; Y152-I156 VanDerWaalsContact O-CG1 3.26Å; Y152-I156 WeakPolarHBondContact O-CG1 3.45Å; Y152-I156 PolarHBondContact O-N 2.95Å; Y152-I156 VanDerWaalsContact O-N 3.07Å; Y152-L180 HydrophobicContact CE1-CD2 4Å; Y152-G184 WeakPolarHBondContact CE1-O 3.42Å; Y152-V186 HydrophobicContact CD1-CG2 3.77Å; Y152-V186 HydrophobicContact CG-CG2 4.41Å; Y152-P328 HydrophobicContact CD1-CG 4.45Å; Y152-P328 HydrophobicContact CD2-CG 4.25Å; Y152-P328 HydrophobicContact CE1-CG 4.07Å; Y152-P328 HydrophobicContact CE2-CB 4.07Å; Y152-P328 HydrophobicContact CE2-CG 3.83Å
153	I	97.1	Very high	93.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.7	-32.9	175.2	-63.9	-64.3	0	0	0	110.9	V149 I151 I156 I157 L235 L238 M239 L242 F312	V149-I153 HydrophobicContact CG1-CG1 3.66Å; V149-I153 WeakPolarHBondContact O-CB 3.46Å; V149-I153 VanDerWaalsContact O-CG1 3.25Å; V149-I153 WeakPolarHBondContact O-CG1 3.36Å; V149-I153 PolarHBondContact O-N 2.96Å; I151-I153 PolarHBondContact O-N 3.43Å; I153-I156 PolarHBondContact O-N 2.79Å; I153-I157 HydrophobicContact CG2-CD1 3.82Å; I153-I157 HydrophobicContact CG2-CG1 4.36Å; I153-I157 WeakPolarHBondContact O-CB 3.33Å; I153-I157 WeakPolarHBondContact O-CD1 3.33Å; I153-I157 WeakPolarHBondContact O-CG1 3.49Å; I153-I157 PolarHBondContact O-N 3.49Å; I153-L235 HydrophobicContact CD1-CD1 3.87Å; I153-L235 HydrophobicContact CG2-CD1 4.16Å; I153-L235 HydrophobicContact CG2-CD2 4.33Å; I153-L235 HydrophobicContact CG2-CG 4.33Å; I153-L238 HydrophobicContact CD1-CD2 4.07Å; I153-L238 HydrophobicContact CD1-CG 4.45Å; I153-M239 HydrophobicContact CD1-CB 3.8Å; I153-M239 HydrophobicContact CD1-CG 4.41Å; I153-M239 HydrophobicContact CG1-CB 4.11Å; I153-M239 HydrophobicContact CG1-CG 4.16Å; I153-L242 HydrophobicContact CD1-CD1 4.16Å; I153-F312 HydrophobicContact CB-CE1 4.48Å; I153-F312 HydrophobicContact CG2-CE1 4.14Å; I153-F312 HydrophobicContact CG2-CZ 3.84Å
154	G	96.8	Very high	92.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62	-44.7	173.1	0	0	0	0	0	113	R150 I151 Y152 I157 L158	R150-G154 PolarHBondContact O-N 3.42Å; R150-G154 VanDerWaalsContact O-N 3.15Å; I151-G154 CarbonylContact O-C 3.52Å; I151-G154 WeakPolarHBondContact O-CA 3.39Å; I151-G154 PolarHBondContact O-N 3.12Å; Y152-G154 VanDerWaalsContact C-N 3.29Å; Y152-G154 PolarHBondContact O-N 3.23Å; G154-I157 PolarHBondContact O-N 2.98Å; G154-L158 WeakPolarHBondContact O-CG 3.28Å; G154-L158 PolarHBondContact O-N 3.28Å; G154-L158 VanDerWaalsContact O-N 3.08Å
155	E	95.9	Very high	92.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-44	176.5	-63.5	-175.9	156.6	0	0	111.5	F108 I151 Y152 I157 L158 A159 H185 V186 L320	F108-E155 HydrophobicContact CD1-CB 3.85Å; F108-E155 HydrophobicContact CD1-CG 4.14Å; F108-E155 HydrophobicContact CE1-CB 3.74Å; F108-E155 VanDerWaalsContact CE1-CD 3.48Å; F108-E155 HydrophobicContact CE1-CG 3.51Å; F108-E155 HydrophobicContact CE2-CB 4.47Å; F108-E155 HydrophobicContact CG-CB 4.27Å; F108-E155 HydrophobicContact CZ-CB 4.05Å; F108-E155 HydrophobicContact CZ-CG 3.74Å; I151-E155 WeakPolarHBondContact O-CG 3.25Å; I151-E155 PolarHBondContact O-N 2.93Å; Y152-E155 PolarHBondContact O-N 2.91Å; E155-I157 VanDerWaalsContact C-N 3.33Å; E155-I157 PolarHBondContact O-N 3.07Å; E155-L158 PolarHBondContact O-N 3.27Å; E155-A159 WeakPolarHBondContact O-CB 3.38Å; E155-A159 PolarHBondContact O-N 2.99Å; E155-H185 IonicContact OE1-CE1 2.94Å; E155-H185 IonicContact OE1-CG 3.36Å; E155-H185 IonicContact OE1-ND1 3.54Å; E155-H185 PolarHBondContact OE1-ND1 3.26Å; E155-V186 HydrophobicContact CB-CB 4.17Å; E155-V186 WeakPolarHBondContact OE2-CB 3.36Å; E155-V186 PolarHBondContact OE2-N 3.36Å; E155-L320 HydrophobicContact CG-CD1 3.8Å; E155-L320 HydrophobicContact CG-CD2 4.33Å; E155-L320 HydrophobicContact CG-CG 4.09Å
156	I	95.3	Very high	91.4	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-65.5	-36	176.8	-62.1	165.8	0	0	0	111.3	Y152 I153 A159 L160 I173 I178 V186 L188 L235 L238	Y152-I156 WeakPolarHBondContact O-CD1 3.11Å; Y152-I156 VanDerWaalsContact O-CG1 3.26Å; Y152-I156 WeakPolarHBondContact O-CG1 3.45Å; Y152-I156 PolarHBondContact O-N 2.95Å; Y152-I156 VanDerWaalsContact O-N 3.07Å; I153-I156 PolarHBondContact O-N 2.79Å; I156-A159 WeakPolarHBondContact O-CB 3.48Å; I156-A159 PolarHBondContact O-N 3.22Å; I156-L160 HydrophobicContact CG2-CD1 3.95Å; I156-L160 HydrophobicContact CG2-CG 4.25Å; I156-L160 WeakPolarHBondContact O-CB 3.34Å; I156-L160 WeakPolarHBondContact O-CG 3.33Å; I156-L160 PolarHBondContact O-N 3.25Å; I156-I173 HydrophobicContact CG2-CD1 4.11Å; I156-I178 HydrophobicContact CD1-CD1 3.96Å; I156-I178 HydrophobicContact CD1-CG2 4.5Å; I156-V186 HydrophobicContact CD1-CG1 4.4Å; I156-V186 HydrophobicContact CD1-CG2 4.49Å; I156-V186 HydrophobicContact CG1-CB 4.45Å; I156-V186 HydrophobicContact CG1-CG1 3.74Å; I156-V186 HydrophobicContact CG1-CG2 4.36Å; I156-L188 HydrophobicContact CG1-CD2 4.26Å; I156-L188 HydrophobicContact CG2-CD2 4.42Å; I156-L235 HydrophobicContact CB-CD1 4.07Å; I156-L235 HydrophobicContact CG2-CD1 3.52Å; I156-L238 HydrophobicContact CD1-CD2 3.49Å; I156-L238 VanDerWaalsContact CD1-CD2 3.49Å
157	I	96.1	Very high	90.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.2	-43.3	173.1	-74.3	161.4	0	0	0	110.9	I153 G154 E155 L160 E161 W232 L235 A303 I306 K307 F312 W317	I153-I157 HydrophobicContact CG2-CD1 3.82Å; I153-I157 HydrophobicContact CG2-CG1 4.36Å; I153-I157 WeakPolarHBondContact O-CB 3.33Å; I153-I157 WeakPolarHBondContact O-CD1 3.33Å; I153-I157 WeakPolarHBondContact O-CG1 3.49Å; I153-I157 PolarHBondContact O-N 3.49Å; G154-I157 PolarHBondContact O-N 2.98Å; E155-I157 VanDerWaalsContact C-N 3.33Å; E155-I157 PolarHBondContact O-N 3.07Å; I157-L160 PolarHBondContact O-N 3.17Å; I157-E161 WeakPolarHBondContact O-CB 3.24Å; I157-E161 PolarHBondContact O-N 3.25Å; I157-W232 HydrophobicContact CG1-CZ3 4.44Å; I157-L235 HydrophobicContact CD1-CD2 4.22Å; I157-L235 HydrophobicContact CG1-CD2 3.63Å; I157-A303 HydrophobicContact CG2-CB 4.28Å; I157-I306 HydrophobicContact CD1-CG2 3.53Å; I157-I306 HydrophobicContact CG1-CG2 4.28Å; I157-K307 HydrophobicContact CG2-CG 4.02Å; I157-F312 HydrophobicContact CD1-CE1 4.05Å; I157-F312 HydrophobicContact CD1-CE2 3.94Å; I157-F312 HydrophobicContact CD1-CZ 3.43Å; I157-F312 VanDerWaalsContact CD1-CZ 3.43Å; I157-W317 HydrophobicContact CB-CZ3 4.32Å; I157-W317 HydrophobicContact CD1-CH2 4.2Å; I157-W317 HydrophobicContact CG2-CH2 4.4Å; I157-W317 HydrophobicContact CG2-CZ3 4.14Å
158	L	94.4	Very high	89.2	Confident	19 Å²	19	16.9 Å²	16.9	10%	0.099	8%	0.08	C	C	.	.	H	α-helix	trans	-64.3	-41.3	176.2	-68.8	170.7	0	0	0	111.5	F108 G154 E155 H162 W317 L320 A321	F108-L158 HydrophobicContact CD2-CB 4.1Å; F108-L158 HydrophobicContact CE2-CB 4.08Å; F108-L158 HydrophobicContact CE2-CD1 3.79Å; F108-L158 HydrophobicContact CZ-CD1 4.47Å; G154-L158 WeakPolarHBondContact O-CG 3.28Å; G154-L158 PolarHBondContact O-N 3.28Å; G154-L158 VanDerWaalsContact O-N 3.08Å; E155-L158 PolarHBondContact O-N 3.27Å; L158-H162 WeakPolarHBondContact O-CB 3.36Å; L158-H162 PolarHBondContact O-N 3.05Å; L158-H162 VanDerWaalsContact O-N 3.09Å; L158-W317 HydrophobicContact CD1-CE3 4.42Å; L158-W317 HydrophobicContact CD2-CE3 4.11Å; L158-W317 HydrophobicContact CG-CE3 4.15Å; L158-W317 HydrophobicContact CG-CZ3 4.45Å; L158-L320 HydrophobicContact CD1-CB 4.15Å; L158-L320 HydrophobicContact CD1-CD2 3.85Å; L158-L320 HydrophobicContact CD1-CG 3.92Å; L158-A321 HydrophobicContact CD1-CB 3.93Å
159	A	90.6	Very high	88	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.7	-49.9	175.6	0	0	0	0	0	112.2	F108 L109 E155 I156 H162 L163 L188	F108-A159 HydrophobicContact CB-CB 3.86Å; L109-A159 HydrophobicContact CD2-CB 3.76Å; L109-A159 HydrophobicContact CG-CB 4.46Å; E155-A159 WeakPolarHBondContact O-CB 3.38Å; E155-A159 PolarHBondContact O-N 2.99Å; I156-A159 WeakPolarHBondContact O-CB 3.48Å; I156-A159 PolarHBondContact O-N 3.22Å; A159-H162 PolarHBondContact O-N 3.5Å; A159-L163 WeakPolarHBondContact O-CG 3.46Å; A159-L163 PolarHBondContact O-N 2.96Å; A159-L188 HydrophobicContact CB-CD1 3.59Å; A159-L188 HydrophobicContact CB-CG 4.03Å
160	L	90.3	Very high	87	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.5	-42.6	178.4	-75.1	175	0	0	0	112.5	I156 I157 H162 L163 H164 Y170 I173 D231 W232 L235	I156-L160 HydrophobicContact CG2-CD1 3.95Å; I156-L160 HydrophobicContact CG2-CG 4.25Å; I156-L160 WeakPolarHBondContact O-CB 3.34Å; I156-L160 WeakPolarHBondContact O-CG 3.33Å; I156-L160 PolarHBondContact O-N 3.25Å; I157-L160 PolarHBondContact O-N 3.17Å; L160-H162 VanDerWaalsContact C-N 3.27Å; L160-H162 PolarHBondContact O-N 3.3Å; L160-L163 PolarHBondContact O-N 3.01Å; L160-H164 VanDerWaalsContact O-CB 3.31Å; L160-H164 WeakPolarHBondContact O-CB 3.49Å; L160-H164 PolarHBondContact O-CD2 3.48Å; L160-H164 PolarHBondContact O-N 2.87Å; L160-Y170 HydrophobicContact CD2-CG 4.41Å; L160-I173 HydrophobicContact CD1-CD1 4.26Å; L160-I173 HydrophobicContact CD1-CG1 4.31Å; L160-I173 HydrophobicContact CD2-CD1 4.07Å; L160-I173 HydrophobicContact CD2-CG1 4.27Å; L160-I173 HydrophobicContact CG-CD1 4.37Å; L160-D231 HydrophobicContact CD1-CB 4.19Å; L160-D231 HydrophobicContact CD2-CB 3.92Å; L160-W232 HydrophobicContact CB-CH2 3.77Å; L160-W232 HydrophobicContact CB-CZ3 3.71Å; L160-W232 HydrophobicContact CD1-CE3 4Å; L160-W232 HydrophobicContact CD1-CZ3 3.64Å; L160-W232 HydrophobicContact CG-CZ3 4.34Å; L160-L235 HydrophobicContact CD1-CD1 4.45Å
161	E	91.6	Very high	85.8	Confident	19 Å²	19	18 Å²	18	9%	0.089	8%	0.083	C	C	.	.	H	α-helix	trans	-57	-43.8	176	-179.1	-167.5	-161.1	0	0	111.2	I157 H164 K165 A303 K307	I157-E161 WeakPolarHBondContact O-CB 3.24Å; I157-E161 PolarHBondContact O-N 3.25Å; E161-H164 PolarHBondContact O-N 3.44Å; E161-K165 HydrophobicContact CG-CD 4.13Å; E161-K165 WeakPolarHBondContact O-CB 3.35Å; E161-K165 WeakPolarHBondContact O-CG 3.25Å; E161-K165 PolarHBondContact O-N 3.48Å; E161-K165 WeakPolarHBondContact OE1-CE 3.28Å; E161-K165 IonicContact OE1-NZ 3.81Å; E161-K165 PolarHBondContact OE1-NZ 2.78Å; E161-K165 IonicContact OE2-NZ 2.73Å; E161-A303 HydrophobicContact CB-CB 3.73Å; E161-A303 HydrophobicContact CG-CB 3.71Å; E161-K307 IonicContact OE1-NZ 2.74Å; E161-K307 PolarHBondContact OE1-NZ 3.37Å; E161-K307 WeakPolarHBondContact OE2-CE 3.34Å; E161-K307 IonicContact OE2-NZ 2.91Å; E161-K307 PolarHBondContact OE2-NZ 3.46Å
162	H	86.1	Confident	84.6	Confident	37 Å²	37	18.6 Å²	18.6	17%	0.171	9%	0.086	C	C	.	.	H	α-helix	trans	-61.9	-47.3	178.5	-170.5	64.2	0	0	0	111.7	H102 L158 A159 L160 H164 K165 L166	H102-H162 PolarHBondContact O-NE2 3.23Å; L158-H162 WeakPolarHBondContact O-CB 3.36Å; L158-H162 PolarHBondContact O-N 3.05Å; L158-H162 VanDerWaalsContact O-N 3.09Å; A159-H162 PolarHBondContact O-N 3.5Å; L160-H162 VanDerWaalsContact C-N 3.27Å; L160-H162 PolarHBondContact O-N 3.3Å; H162-H164 VanDerWaalsContact C-N 3.33Å; H162-H164 PolarHBondContact O-N 3.43Å; H162-K165 PolarHBondContact O-N 2.83Å; H162-L166 WeakPolarHBondContact O-CG 2.89Å; H162-L166 PolarHBondContact O-N 2.95Å
163	L	80.4	Confident	84	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59	-43.6	172.9	-66.7	172.1	0	0	0	111.9	I103 L109 A159 L160 K165 L166 G167 I168 Y170 F191	I103-L163 HydrophobicContact CD1-CD2 4.24Å; I103-L163 HydrophobicContact CG1-CD2 3.95Å; L109-L163 HydrophobicContact CD1-CD2 3.91Å; L109-L163 HydrophobicContact CD1-CG 4.04Å; L109-L163 HydrophobicContact CD2-CD1 4.01Å; L109-L163 HydrophobicContact CD2-CG 4.24Å; A159-L163 WeakPolarHBondContact O-CG 3.46Å; A159-L163 PolarHBondContact O-N 2.96Å; L160-L163 PolarHBondContact O-N 3.01Å; L163-K165 PolarHBondContact O-N 2.9Å; L163-L166 CarbonylContact O-C 3.56Å; L163-L166 WeakPolarHBondContact O-CA 3.39Å; L163-L166 WeakPolarHBondContact O-CB 3.43Å; L163-L166 PolarHBondContact O-N 3.05Å; L163-G167 PolarHBondContact O-N 2.73Å; L163-I168 CarbonylContact C-O 3.38Å; L163-I168 HydrophobicContact CB-CB 4.25Å; L163-I168 HydrophobicContact CD2-CB 4.4Å; L163-I168 HydrophobicContact CD2-CD1 4.18Å; L163-I168 HydrophobicContact CD2-CG2 4.24Å; L163-I168 PolarHBondContact O-N 2.8Å; L163-Y170 HydrophobicContact CD1-CD2 3.93Å; L163-Y170 HydrophobicContact CD1-CG 4.36Å; L163-F191 HydrophobicContact CD1-CE1 4.05Å; L163-F191 HydrophobicContact CD2-CE1 4.41Å
164	H	83.9	Confident	83.1	Confident	14 Å²	14	19.7 Å²	19.7	7%	0.065	9%	0.091	C	C	.	.	H	α-helix	trans	-67.3	-32.8	-179	-74.9	-165.5	0	0	0	112.9	L160 E161 H162 L166 G167 I168 K228 D231 W232	L160-H164 VanDerWaalsContact O-CB 3.31Å; L160-H164 WeakPolarHBondContact O-CB 3.49Å; L160-H164 PolarHBondContact O-CD2 3.48Å; L160-H164 PolarHBondContact O-N 2.87Å; E161-H164 PolarHBondContact O-N 3.44Å; H162-H164 VanDerWaalsContact C-N 3.33Å; H162-H164 PolarHBondContact O-N 3.43Å; H164-L166 VanDerWaalsContact C-N 3.26Å; H164-G167 PolarHBondContact O-N 2.85Å; H164-I168 PolarHBondContact CD2-O 3.05Å; H164-K228 HydrophobicContact CB-CD 3.97Å; H164-K228 HydrophobicContact CB-CG 4.35Å; H164-K228 PolarHBondContact CE1-O 3.48Å; H164-K228 VanDerWaalsContact O-CE 3.24Å; H164-K228 WeakPolarHBondContact O-CE 3.42Å; H164-K228 PolarHBondContact O-NZ 2.71Å; H164-D231 IonicContact CD2-OD2 3.92Å; H164-D231 IonicContact CE1-OD2 2.73Å; H164-D231 IonicContact NE2-OD2 2.88Å; H164-D231 PolarHBondContact NE2-OD2 3.38Å; H164-W232 AromaticContact CE1-CE2 3.65Å; H164-W232 AromaticContact CE1-CZ2 3.53Å; H164-W232 AromaticContact ND1-CE2 3.76Å; H164-W232 AromaticContact ND1-CZ2 3.33Å; H164-W232 VanDerWaalsContact ND1-CZ2 3.33Å; H164-W232 WeakPolarHBondContact ND1-CZ2 3.29Å
165	K	82.8	Confident	82.3	Confident	141 Å²	141	20 Å²	20	61%	0.613	9%	0.092	S	C	*	.	H	α-helix	trans	-66.8	-27.5	170.6	-76.9	170.6	-179.5	167.4	0	112.2	E161 H162 L163	E161-K165 HydrophobicContact CG-CD 4.13Å; E161-K165 WeakPolarHBondContact O-CB 3.35Å; E161-K165 WeakPolarHBondContact O-CG 3.25Å; E161-K165 PolarHBondContact O-N 3.48Å; E161-K165 WeakPolarHBondContact OE1-CE 3.28Å; E161-K165 IonicContact OE1-NZ 3.81Å; E161-K165 PolarHBondContact OE1-NZ 2.78Å; E161-K165 IonicContact OE2-NZ 2.73Å; H162-K165 PolarHBondContact O-N 2.83Å; L163-K165 PolarHBondContact O-N 2.9Å
166	L	71.5	Confident	81.3	Confident	19 Å²	19	23.2 Å²	23.2	10%	0.099	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.3	175.8	-60.6	170.8	0	0	0	113.9	H102 I103 H162 L163 H164 I168	H102-L166 HydrophobicContact CB-CD1 3.53Å; H102-L166 HydrophobicContact CB-CD2 3.43Å; H102-L166 VanDerWaalsContact CB-CD2 3.43Å; H102-L166 HydrophobicContact CB-CG 4.12Å; I103-L166 HydrophobicContact CG1-CD1 4.39Å; H162-L166 WeakPolarHBondContact O-CG 2.89Å; H162-L166 PolarHBondContact O-N 2.95Å; L163-L166 CarbonylContact O-C 3.56Å; L163-L166 WeakPolarHBondContact O-CA 3.39Å; L163-L166 WeakPolarHBondContact O-CB 3.43Å; L163-L166 PolarHBondContact O-N 3.05Å; H164-L166 VanDerWaalsContact C-N 3.26Å; L166-I168 HydrophobicContact CB-CD1 3.8Å; L166-I168 HydrophobicContact CB-CG1 4.14Å; L166-I168 HydrophobicContact CD1-CD1 4.23Å
167	G	70.9	Confident	80.6	Confident	11 Å²	11	23.4 Å²	23.4	11%	0.113	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	10.7	-176.7	0	0	0	0	0	114.4	L163 H164 F197	L163-G167 PolarHBondContact O-N 2.73Å; H164-G167 PolarHBondContact O-N 2.85Å; G167-F197 PolarHBondContact O-N 3.48Å
168	I	71.3	Confident	80.2	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.9	-175.7	-54.5	163.5	0	0	0	108.8	V99 I103 L163 H164 L166 E196	V99-I168 HydrophobicContact CB-CD1 4.43Å; V99-I168 HydrophobicContact CG1-CD1 3.49Å; V99-I168 VanDerWaalsContact CG1-CD1 3.49Å; V99-I168 HydrophobicContact CG2-CD1 4.31Å; I103-I168 HydrophobicContact CD1-CD1 4.28Å; I103-I168 HydrophobicContact CG1-CD1 4.48Å; L163-I168 CarbonylContact C-O 3.38Å; L163-I168 HydrophobicContact CB-CB 4.25Å; L163-I168 HydrophobicContact CD2-CB 4.4Å; L163-I168 HydrophobicContact CD2-CD1 4.18Å; L163-I168 HydrophobicContact CD2-CG2 4.24Å; L163-I168 PolarHBondContact O-N 2.8Å; H164-I168 PolarHBondContact CD2-O 3.05Å; L166-I168 HydrophobicContact CB-CD1 3.8Å; L166-I168 HydrophobicContact CB-CG1 4.14Å; L166-I168 HydrophobicContact CD1-CD1 4.23Å; I168-E196 HydrophobicContact CG1-CG 4.14Å
169	V	68.5	Low	79.9	Confident	3 Å²	3	23.6 Å²	23.6	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.8	171.3	-164.6	0	0	0	0	108	R171 F197 K228 V230 D231	V169-R171 HydrophobicContact CB-CG 3.92Å; V169-R171 HydrophobicContact CG1-CG 3.5Å; V169-R171 VanDerWaalsContact CG1-CG 3.5Å; V169-F197 HydrophobicContact CG2-CD2 4.25Å; V169-K228 HydrophobicContact CG2-CG 4.15Å; V169-V230 HydrophobicContact CG1-CG2 3.86Å; V169-D231 VanDerWaalsContact CG1-OD2 3.25Å; V169-D231 WeakPolarHBondContact CG1-OD2 3.31Å
170	Y	75.3	Confident	79.8	Confident	7 Å²	7	23.6 Å²	23.6	3%	0.027	11%	0.11	C	C	.	.			trans	-76.4	-48.7	-169.7	-177.6	-100.7	0	0	0	111.9	L160 L163 D172 I173 L188 T189 F191 D231	L160-Y170 HydrophobicContact CD2-CG 4.41Å; L163-Y170 HydrophobicContact CD1-CD2 3.93Å; L163-Y170 HydrophobicContact CD1-CG 4.36Å; Y170-D172 HydrophobicContact CE1-CB 4.44Å; Y170-D172 VanDerWaalsContact CE1-O 3.29Å; Y170-D172 WeakPolarHBondContact CE1-O 3.47Å; Y170-D172 PolarHBondContact O-N 3.05Å; Y170-D172 VanDerWaalsContact O-N 3.13Å; Y170-I173 HydrophobicContact CD1-CB 4.45Å; Y170-I173 HydrophobicContact CD1-CD1 3.55Å; Y170-I173 HydrophobicContact CD1-CG1 3.67Å; Y170-I173 HydrophobicContact CE1-CD1 3.59Å; Y170-I173 HydrophobicContact CE1-CG1 4.02Å; Y170-I173 HydrophobicContact CG-CD1 4.48Å; Y170-L188 HydrophobicContact CE2-CB 4.41Å; Y170-T189 WeakPolarHBondContact CE2-O 3.39Å; Y170-T189 PolarHBondContact OH-O 3.45Å; Y170-F191 AromaticContact CD2-CD1 3.74Å; Y170-F191 HydrophobicContact CD2-CD1 3.74Å; Y170-F191 AromaticContact CD2-CE1 3.68Å; Y170-F191 HydrophobicContact CD2-CE1 3.68Å; Y170-F191 AromaticContact CE2-CD1 3.61Å; Y170-F191 HydrophobicContact CE2-CD1 3.61Å; Y170-F191 AromaticContact CE2-CE1 3.47Å; Y170-F191 HydrophobicContact CE2-CE1 3.47Å; Y170-F191 VanDerWaalsContact CE2-CE1 3.47Å; Y170-F191 HydrophobicContact CE2-CZ 4.46Å; Y170-D231 PolarHBondContact N-OD2 2.86Å
171	R	71.4	Confident	79.7	Confident	84 Å²	84	24.8 Å²	24.8	32%	0.317	12%	0.116	S	C	.	.			trans	65.1	0.9	169.3	-50.3	-180	-60.6	155.5	10.3	117.8	V169 L193 K195 V230 D231	V169-R171 HydrophobicContact CB-CG 3.92Å; V169-R171 HydrophobicContact CG1-CG 3.5Å; V169-R171 VanDerWaalsContact CG1-CG 3.5Å; R171-L193 PolarHBondContact NH2-O 2.69Å; R171-K195 VanDerWaalsContact NH2-CB 3.3Å; R171-V230 HydrophobicContact CG-CG2 4.01Å; R171-D231 WeakPolarHBondContact CA-OD1 3.44Å; R171-D231 PolarHBondContact N-OD1 2.94Å
172	D	71	Confident	79.4	Confident	31 Å²	31	26.3 Å²	26.3	17%	0.166	13%	0.129	C	C	.	.			trans	-131.5	37.6	179.1	-160.3	24.2	0	0	0	110.9	Y170 K174 N177	Y170-D172 HydrophobicContact CE1-CB 4.44Å; Y170-D172 VanDerWaalsContact CE1-O 3.29Å; Y170-D172 WeakPolarHBondContact CE1-O 3.47Å; Y170-D172 PolarHBondContact O-N 3.05Å; Y170-D172 VanDerWaalsContact O-N 3.13Å; D172-K174 PolarHBondContact O-N 3.5Å; D172-K174 IonicContact OD1-NZ 2.66Å; D172-K174 PolarHBondContact OD1-NZ 3.26Å; D172-K174 IonicContact OD2-NZ 3.25Å; D172-K174 PolarHBondContact OD2-NZ 2.9Å; D172-N177 PolarHBondContact O-ND2 3.27Å; D172-N177 PolarHBondContact OD2-ND2 3.4Å
173	I	83.1	Confident	79.4	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.14	C	C	.	.			trans	-65.5	117.1	170	-69.5	-63.6	0	0	0	107.6	I156 L160 Y170 L188 Y214 L238	I156-I173 HydrophobicContact CG2-CD1 4.11Å; L160-I173 HydrophobicContact CD1-CD1 4.26Å; L160-I173 HydrophobicContact CD1-CG1 4.31Å; L160-I173 HydrophobicContact CD2-CD1 4.07Å; L160-I173 HydrophobicContact CD2-CG1 4.27Å; L160-I173 HydrophobicContact CG-CD1 4.37Å; Y170-I173 HydrophobicContact CD1-CB 4.45Å; Y170-I173 HydrophobicContact CD1-CD1 3.55Å; Y170-I173 HydrophobicContact CD1-CG1 3.67Å; Y170-I173 HydrophobicContact CE1-CD1 3.59Å; Y170-I173 HydrophobicContact CE1-CG1 4.02Å; Y170-I173 HydrophobicContact CG-CD1 4.48Å; I173-L188 HydrophobicContact CD1-CD1 4.09Å; I173-L188 HydrophobicContact CD1-CD2 4.23Å; I173-Y214 WeakPolarHBondContact O-CB 3.47Å; I173-Y214 VanDerWaalsContact O-CD1 3.27Å; I173-Y214 WeakPolarHBondContact O-CD1 3.41Å; I173-L238 HydrophobicContact CG2-CB 4.17Å; I173-L238 HydrophobicContact CG2-CD2 4.03Å
174	K	77.9	Confident	79.8	Confident	23 Å²	23	28.2 Å²	28.2	10%	0.1	14%	0.14	C	C	.	.	S	Bend	trans	-163.1	160	175.4	63.5	178.8	-168.7	-74.1	0	109.6	D172 E176 N177 I178 Y214	D172-K174 PolarHBondContact O-N 3.5Å; D172-K174 IonicContact OD1-NZ 2.66Å; D172-K174 PolarHBondContact OD1-NZ 3.26Å; D172-K174 IonicContact OD2-NZ 3.25Å; D172-K174 PolarHBondContact OD2-NZ 2.9Å; K174-E176 WeakPolarHBondContact CB-OE2 3.07Å; K174-E176 VanDerWaalsContact CD-OE2 3.26Å; K174-E176 WeakPolarHBondContact CD-OE2 3.4Å; K174-E176 WeakPolarHBondContact CG-OE2 3.25Å; K174-E176 PolarHBondContact O-N 3.5Å; K174-N177 HydrophobicContact CG-CB 4.15Å; K174-N177 PolarHBondContact NZ-ND2 2.93Å; K174-N177 PolarHBondContact NZ-OD1 3.5Å; K174-N177 PolarHBondContact O-N 3.25Å; K174-I178 WeakPolarHBondContact O-CD1 3.45Å; K174-I178 WeakPolarHBondContact O-CG1 3.25Å; K174-Y214 HydrophobicContact CB-CD1 4.33Å; K174-Y214 HydrophobicContact CB-CD2 3.66Å; K174-Y214 HydrophobicContact CB-CE1 4.14Å; K174-Y214 HydrophobicContact CB-CE2 3.4Å; K174-Y214 VanDerWaalsContact CB-CE2 3.4Å; K174-Y214 HydrophobicContact CB-CG 4.1Å
175	L	79.6	Confident	80.3	Confident	7 Å²	7	28.2 Å²	28.2	4%	0.037	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-58.2	-33.1	-173.6	-72.8	163.3	0	0	0	113.8	M134 F135 L138 N177 I178 Y214 L238 E241 L242	M134-L175 HydrophobicContact CB-CD2 4.41Å; M134-L175 HydrophobicContact CG-CD2 4Å; F135-L175 HydrophobicContact CB-CB 3.89Å; F135-L175 HydrophobicContact CD2-CB 4.22Å; F135-L175 HydrophobicContact CD2-CD1 4.22Å; L138-L175 HydrophobicContact CD2-CD1 3.63Å; L138-L175 HydrophobicContact CD2-CD2 4.14Å; L175-N177 VanDerWaalsContact C-N 3.34Å; L175-N177 PolarHBondContact O-N 3.07Å; L175-I178 PolarHBondContact O-N 2.69Å; L175-Y214 PolarHBondContact N-OH 2.92Å; L175-L238 HydrophobicContact CD2-CD1 3.53Å; L175-L238 HydrophobicContact CG-CD1 3.78Å; L175-E241 HydrophobicContact CD1-CB 4.33Å; L175-L242 HydrophobicContact CD2-CD2 3.73Å; L175-L242 HydrophobicContact CD2-CG 4.48Å
176	E	74.8	Confident	80.7	Confident	68 Å²	68	21.5 Å²	21.5	32%	0.318	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-74.5	-22.1	-177.2	-42.9	94.9	111.2	0	0	112.9	K174	K174-E176 WeakPolarHBondContact CB-OE2 3.07Å; K174-E176 VanDerWaalsContact CD-OE2 3.26Å; K174-E176 WeakPolarHBondContact CD-OE2 3.4Å; K174-E176 WeakPolarHBondContact CG-OE2 3.25Å; K174-E176 PolarHBondContact O-N 3.5Å
177	N	80.3	Confident	81.6	Confident	6 Å²	6	21.1 Å²	21.1	3%	0.032	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-91.8	-5	178.1	-81.4	5.8	0	0	0	113.1	D172 K174 L175 T189	D172-N177 PolarHBondContact O-ND2 3.27Å; D172-N177 PolarHBondContact OD2-ND2 3.4Å; K174-N177 HydrophobicContact CG-CB 4.15Å; K174-N177 PolarHBondContact NZ-ND2 2.93Å; K174-N177 PolarHBondContact NZ-OD1 3.5Å; K174-N177 PolarHBondContact O-N 3.25Å; L175-N177 VanDerWaalsContact C-N 3.34Å; L175-N177 PolarHBondContact O-N 3.07Å; N177-T189 PolarHBondContact O-N 3.47Å; N177-T189 PolarHBondContact O-OG1 3.47Å
178	I	88	Confident	82.4	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	112	-176.1	-61.4	170.2	0	0	0	106.6	M134 I156 K174 L175 V186 L188 L238	M134-I178 HydrophobicContact CB-CB 3.95Å; M134-I178 HydrophobicContact CB-CG2 3.8Å; M134-I178 VanDerWaalsContact CB-O 3.23Å; M134-I178 WeakPolarHBondContact CB-O 3.21Å; M134-I178 HydrophobicContact CG-CG2 4.16Å; M134-I178 PolarHBondContact N-O 3.18Å; I156-I178 HydrophobicContact CD1-CD1 3.96Å; I156-I178 HydrophobicContact CD1-CG2 4.5Å; K174-I178 WeakPolarHBondContact O-CD1 3.45Å; K174-I178 WeakPolarHBondContact O-CG1 3.25Å; L175-I178 PolarHBondContact O-N 2.69Å; I178-V186 HydrophobicContact CG2-CG1 3.78Å; I178-V186 HydrophobicContact CG2-CG2 4.16Å; I178-L188 HydrophobicContact CD1-CD2 4.48Å; I178-L188 HydrophobicContact CG1-CD2 3.76Å; I178-L238 HydrophobicContact CD1-CD1 3.68Å; I178-L238 HydrophobicContact CD1-CD2 3.38Å; I178-L238 HydrophobicContact CD1-CG 4.18Å
179	L	88.6	Confident	82.7	Confident	22 Å²	22	21.2 Å²	21.2	12%	0.115	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	159.8	176	-55.8	-171	0	0	0	110.4	V129 G132 E133 V186 V187 T189	V129-L179 HydrophobicContact CB-CB 4.05Å; V129-L179 HydrophobicContact CB-CD1 3.8Å; V129-L179 HydrophobicContact CG1-CB 3.53Å; V129-L179 HydrophobicContact CG1-CD1 4.24Å; V129-L179 HydrophobicContact CG2-CD1 4.38Å; G132-L179 CarbonylContact O-C 3.52Å; G132-L179 WeakPolarHBondContact O-CA 3.25Å; G132-L179 WeakPolarHBondContact O-CB 3.3Å; E133-L179 HydrophobicContact CB-CD2 4.13Å; E133-L179 HydrophobicContact CG-CD2 3.47Å; E133-L179 VanDerWaalsContact CG-CD2 3.47Å; L179-V186 CarbonylContact O-C 3.55Å; L179-V186 WeakPolarHBondContact O-CA 3.27Å; L179-V187 PolarHBondContact N-O 3.07Å; L179-V187 PolarHBondContact O-N 3.33Å; L179-T189 HydrophobicContact CB-CG2 4.36Å; L179-T189 HydrophobicContact CD1-CG2 3.59Å; L179-T189 HydrophobicContact CG-CG2 3.66Å
180	L	89.5	Confident	82.6	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.3	168.9	-60.9	-171	0	0	0	110.5	V129 G131 G132 M134 Y152 H185 V186 F329 P331	V129-L180 VanDerWaalsContact CG1-C 3.49Å; V129-L180 WeakPolarHBondContact CG1-O 3.34Å; G131-L180 CarbonylContact C-O 3.58Å; G131-L180 WeakPolarHBondContact CA-O 3.31Å; G131-L180 PolarHBondContact N-O 3.27Å; G132-L180 PolarHBondContact O-N 3.24Å; M134-L180 HydrophobicContact SD-CD1 4.17Å; M134-L180 HydrophobicContact SD-CD2 3.86Å; M134-L180 HydrophobicContact SD-CG 4.14Å; Y152-L180 HydrophobicContact CE1-CD2 4Å; L180-H185 CarbonylContact C-O 3.56Å; L180-H185 WeakPolarHBondContact CA-O 3.18Å; L180-V186 HydrophobicContact CD2-CG2 4.01Å; L180-F329 HydrophobicContact CD1-CD1 4.47Å; L180-P331 HydrophobicContact CB-CG 4.29Å
181	D	86.8	Confident	81.7	Confident	25 Å²	25	24.8 Å²	24.8	13%	0.134	13%	0.125	C	C	.	.			trans	-76.8	-178.8	172	70.6	21	0	0	0	112.9	V129 D183 G184 H185 V187 K323	V129-D181 HydrophobicContact CG1-CB 4.4Å; D181-D183 PolarHBondContact O-N 3.19Å; D181-D183 PolarHBondContact OD1-N 3.47Å; D181-G184 WeakPolarHBondContact O-CA 3.41Å; D181-G184 PolarHBondContact O-N 3.33Å; D181-G184 PolarHBondContact OD1-N 3.38Å; D181-H185 PolarHBondContact N-O 3.27Å; D181-H185 IonicContact OD1-CD2 2.78Å; D181-H185 PolarHBondContact OD1-N 2.81Å; D181-V187 HydrophobicContact CB-CG2 4.24Å; D181-K323 IonicContact OD2-NZ 3.76Å; D181-K323 PolarHBondContact OD2-NZ 3.4Å
182	S	85.3	Confident	80.5	Confident	51 Å²	51	23.6 Å²	23.6	36%	0.357	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.6	-178.9	49.9	0	0	0	0	114.6	K330	S182-K330 WeakPolarHBondContact O-CE 3.17Å
183	D	86.9	Confident	78.9	Confident	77 Å²	77	26.1 Å²	26.1	41%	0.412	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-4.6	174.8	-68	-64.6	0	0	0	112	D181 S327 K330	D181-D183 PolarHBondContact O-N 3.19Å; D181-D183 PolarHBondContact OD1-N 3.47Å; D183-S327 WeakPolarHBondContact O-CB 3.45Å; D183-K330 IonicContact OD1-NZ 2.65Å; D183-K330 PolarHBondContact OD1-NZ 3.3Å
184	G	88.7	Confident	76.7	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	91.9	14.4	175.4	0	0	0	0	0	114.6	Y152 D181 S327 F329 P331	Y152-G184 WeakPolarHBondContact CE1-O 3.42Å; D181-G184 WeakPolarHBondContact O-CA 3.41Å; D181-G184 PolarHBondContact O-N 3.33Å; D181-G184 PolarHBondContact OD1-N 3.38Å; G184-S327 PolarHBondContact O-OG 3.42Å; G184-F329 WeakPolarHBondContact CA-O 3.31Å; G184-P331 VanDerWaalsContact CA-CD 3.48Å
185	H	93.3	Very high	74.9	Confident	13 Å²	13	29.4 Å²	29.4	6%	0.06	17%	0.172	C	C	.	.			trans	-84.8	151	177	-63.8	-81	0	0	0	111.7	E155 L180 D181 K323 V325	E155-H185 IonicContact OE1-CE1 2.94Å; E155-H185 IonicContact OE1-CG 3.36Å; E155-H185 IonicContact OE1-ND1 3.54Å; E155-H185 PolarHBondContact OE1-ND1 3.26Å; L180-H185 CarbonylContact C-O 3.56Å; L180-H185 WeakPolarHBondContact CA-O 3.18Å; D181-H185 PolarHBondContact N-O 3.27Å; D181-H185 IonicContact OD1-CD2 2.78Å; D181-H185 PolarHBondContact OD1-N 2.81Å; H185-K323 HydrophobicContact CB-CD 4.04Å; H185-V325 PolarHBondContact CE1-O 3.3Å; H185-V325 VanDerWaalsContact CE1-O 3.32Å
186	V	92.8	Very high	72.7	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	136.6	-179.2	168.1	0	0	0	0	112.3	F108 Y152 E155 I156 I178 L179 L180 L188	F108-V186 WeakPolarHBondContact CA-O 3.18Å; F108-V186 WeakPolarHBondContact CD1-O 3.31Å; Y152-V186 HydrophobicContact CD1-CG2 3.77Å; Y152-V186 HydrophobicContact CG-CG2 4.41Å; E155-V186 HydrophobicContact CB-CB 4.17Å; E155-V186 WeakPolarHBondContact OE2-CB 3.36Å; E155-V186 PolarHBondContact OE2-N 3.36Å; I156-V186 HydrophobicContact CD1-CG1 4.4Å; I156-V186 HydrophobicContact CD1-CG2 4.49Å; I156-V186 HydrophobicContact CG1-CB 4.45Å; I156-V186 HydrophobicContact CG1-CG1 3.74Å; I156-V186 HydrophobicContact CG1-CG2 4.36Å; I178-V186 HydrophobicContact CG2-CG1 3.78Å; I178-V186 HydrophobicContact CG2-CG2 4.16Å; L179-V186 CarbonylContact O-C 3.55Å; L179-V186 WeakPolarHBondContact O-CA 3.27Å; L180-V186 HydrophobicContact CD2-CG2 4.01Å; V186-L188 HydrophobicContact CG1-CD2 4.07Å
187	V	89.9	Confident	70.6	Confident	11 Å²	11	30.6 Å²	30.6	7%	0.067	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	114.9	164.2	-174.4	0	0	0	0	108.9	V110 V129 L179 D181	V110-V187 HydrophobicContact CB-CG1 3.93Å; V110-V187 HydrophobicContact CG2-CG1 4.37Å; V129-V187 HydrophobicContact CG1-CB 4.18Å; V129-V187 HydrophobicContact CG1-CG2 4.09Å; V129-V187 HydrophobicContact CG2-CB 4.2Å; V129-V187 HydrophobicContact CG2-CG1 4.03Å; V129-V187 HydrophobicContact CG2-CG2 4.34Å; L179-V187 PolarHBondContact N-O 3.07Å; L179-V187 PolarHBondContact O-N 3.33Å; D181-V187 HydrophobicContact CB-CG2 4.24Å
188	L	86.8	Confident	68.2	Low	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	127.5	170.6	-59.6	-171.1	0	0	0	109.9	F108 L109 V110 I156 A159 Y170 I173 I178 V186 F191	F108-L188 PolarHBondContact O-N 2.53Å; L109-L188 HydrophobicContact CD2-CB 4.08Å; L109-L188 HydrophobicContact CD2-CD1 4.08Å; L109-L188 HydrophobicContact CD2-CG 4.39Å; V110-L188 PolarHBondContact N-O 3.13Å; I156-L188 HydrophobicContact CG1-CD2 4.26Å; I156-L188 HydrophobicContact CG2-CD2 4.42Å; A159-L188 HydrophobicContact CB-CD1 3.59Å; A159-L188 HydrophobicContact CB-CG 4.03Å; Y170-L188 HydrophobicContact CE2-CB 4.41Å; I173-L188 HydrophobicContact CD1-CD1 4.09Å; I173-L188 HydrophobicContact CD1-CD2 4.23Å; I178-L188 HydrophobicContact CD1-CD2 4.48Å; I178-L188 HydrophobicContact CG1-CD2 3.76Å; V186-L188 HydrophobicContact CG1-CD2 4.07Å; L188-F191 HydrophobicContact CB-CZ 4.36Å; L188-F191 WeakPolarHBondContact O-CZ 3.49Å
189	T	77.5	Confident	65.5	Low	14 Å²	14	45.3 Å²	45.3	9%	0.086	25%	0.248	C	C	.	.			trans	-106.2	-171.1	179.5	65.4	0	0	0	0	112.3	V110 Y170 N177 L179 F191	V110-T189 HydrophobicContact CB-CG2 4.15Å; V110-T189 HydrophobicContact CG1-CG2 4.36Å; V110-T189 HydrophobicContact CG2-CG2 4.37Å; Y170-T189 WeakPolarHBondContact CE2-O 3.39Å; Y170-T189 PolarHBondContact OH-O 3.45Å; N177-T189 PolarHBondContact O-N 3.47Å; N177-T189 PolarHBondContact O-OG1 3.47Å; L179-T189 HydrophobicContact CB-CG2 4.36Å; L179-T189 HydrophobicContact CD1-CG2 3.59Å; L179-T189 HydrophobicContact CG-CG2 3.66Å; T189-F191 PolarHBondContact O-N 3.19Å
190	D	66.1	Low	62.6	Low	48 Å²	48	53.4 Å²	53.4	26%	0.257	29%	0.286	S	S	.	.			trans	62.8	33.4	161.2	-91.5	22.5	0	0	0	119.2	K76 G192	K76-D190 IonicContact NZ-OD1 2.61Å; K76-D190 PolarHBondContact NZ-OD1 3.2Å; K76-D190 IonicContact NZ-OD2 2.69Å; K76-D190 PolarHBondContact NZ-OD2 3.39Å; D190-G192 PolarHBondContact O-N 3.47Å
191	F	57	Low	59.6	Low	37 Å²	37	59.6 Å²	59.6	16%	0.162	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-57.3	-5.3	172.9	-56.6	-60.7	0	0	0	117.1	I103 L109 V110 L163 Y170 L188 T189 L193 S194	I103-F191 HydrophobicContact CG2-CE2 4.35Å; L109-F191 HydrophobicContact CB-CE2 4.14Å; L109-F191 HydrophobicContact CB-CZ 3.7Å; L109-F191 HydrophobicContact CD2-CE1 3.89Å; L109-F191 HydrophobicContact CD2-CZ 3.58Å; L109-F191 HydrophobicContact CG-CZ 4.12Å; V110-F191 HydrophobicContact CB-CE2 4.39Å; V110-F191 HydrophobicContact CG1-CD2 3.96Å; V110-F191 HydrophobicContact CG1-CE2 3.63Å; V110-F191 WeakPolarHBondContact O-CE2 3.36Å; L163-F191 HydrophobicContact CD1-CE1 4.05Å; L163-F191 HydrophobicContact CD2-CE1 4.41Å; Y170-F191 AromaticContact CD2-CD1 3.74Å; Y170-F191 HydrophobicContact CD2-CD1 3.74Å; Y170-F191 AromaticContact CD2-CE1 3.68Å; Y170-F191 HydrophobicContact CD2-CE1 3.68Å; Y170-F191 AromaticContact CE2-CD1 3.61Å; Y170-F191 HydrophobicContact CE2-CD1 3.61Å; Y170-F191 AromaticContact CE2-CE1 3.47Å; Y170-F191 HydrophobicContact CE2-CE1 3.47Å; Y170-F191 VanDerWaalsContact CE2-CE1 3.47Å; Y170-F191 HydrophobicContact CE2-CZ 4.46Å; L188-F191 HydrophobicContact CB-CZ 4.36Å; L188-F191 WeakPolarHBondContact O-CZ 3.49Å; T189-F191 PolarHBondContact O-N 3.19Å; F191-L193 PolarHBondContact O-N 3.11Å; F191-S194 PolarHBondContact O-N 3.15Å; F191-S194 PolarHBondContact O-OG 3.28Å
192	G	45.6	Very low	56.8	Low	59 Å²	59	67.3 Å²	67.3	61%	0.608	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-62.5	0.1	-171.8	0	0	0	0	0	116.7	D190	D190-G192 PolarHBondContact O-N 3.47Å
193	L	38.5	Very low	54.1	Low	84 Å²	84	68 Å²	68	44%	0.44	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-131.8	3.5	174.7	-64.2	174.8	0	0	0	113.6	Y55 R171 F191	Y55-L193 HydrophobicContact CE2-CD1 3.97Å; R171-L193 PolarHBondContact NH2-O 2.69Å; F191-L193 PolarHBondContact O-N 3.11Å
194	S	36.7	Very low	51.7	Low	40 Å²	40	74.2 Å²	74.2	28%	0.28	38%	0.384	S	S	.	.			trans	-65.9	135.5	177.3	67.7	0	0	0	0	110.4	F191	F191-S194 PolarHBondContact O-N 3.15Å; F191-S194 PolarHBondContact O-OG 3.28Å
195	K	39.9	Very low	48.8	Very low	53 Å²	53	76.2 Å²	76.2	23%	0.23	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.1	-173.2	-173.6	172.1	-169.7	164.3	0	108.8	T89 R171 F197 T205	T89-K195 PolarHBondContact OG1-NZ 2.95Å; R171-K195 VanDerWaalsContact NH2-CB 3.3Å; K195-F197 HydrophobicContact CB-CE2 4.46Å; K195-F197 HydrophobicContact CD-CE2 4.36Å; K195-F197 HydrophobicContact CD-CZ 4.22Å; K195-F197 HydrophobicContact CG-CE2 4.38Å; K195-T205 VanDerWaalsContact NZ-CG2 3.32Å; K195-T205 PolarHBondContact NZ-OG1 3.27Å
196	E	33.2	Very low	45.9	Very low	38 Å²	38	83.8 Å²	83.8	18%	0.178	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	138	169.2	-75.2	-170.4	-173	0	0	110	T93 R94 V99 I168	T93-E196 HydrophobicContact CG2-CB 4.37Å; T93-E196 HydrophobicContact CG2-CG 4.07Å; T93-E196 WeakPolarHBondContact CG2-OE2 3.17Å; R94-E196 PolarHBondContact N-OE2 3.4Å; V99-E196 WeakPolarHBondContact CG2-OE1 3.43Å; I168-E196 HydrophobicContact CG1-CG 4.14Å
197	F	31.6	Very low	42.9	Very low	63 Å²	63	87.2 Å²	87.2	28%	0.276	45%	0.449	S	S	.	.			trans	-125.5	112.7	162.8	-75.8	-82.7	0	0	0	107.5	G167 V169 K195	G167-F197 PolarHBondContact O-N 3.48Å; V169-F197 HydrophobicContact CG2-CD2 4.25Å; K195-F197 HydrophobicContact CB-CE2 4.46Å; K195-F197 HydrophobicContact CD-CE2 4.36Å; K195-F197 HydrophobicContact CD-CZ 4.22Å; K195-F197 HydrophobicContact CG-CE2 4.38Å
198	L	28.8	Very low	40	Very low	135 Å²	135	94.9 Å²	94.9	71%	0.707	48%	0.482	S	S	*	.			trans	-83.9	145.1	161.7	-66.5	175	0	0	0	108.6
199	E	31.1	Very low	37.3	Very low	180 Å²	180	97.1 Å²	97.1	84%	0.841	50%	0.497	S	S	*	.	S	Bend	trans	-77.3	157.1	-176.8	-65.3	-169.9	145	0	0	112.2
200	E	28.9	Very low	35.6	Very low	193 Å²	193	98.4 Å²	98.4	90%	0.902	51%	0.513	S	S	*	.	S	Bend	trans	84.4	111.1	179	-50.9	-159.8	147.9	0	0	118.3
201	D	25.3	Very low	35.1	Very low	129 Å²	129	98.5 Å²	98.5	69%	0.69	52%	0.516	S	S	*	.	S	Bend	trans	78.1	99.2	163.3	-94	-13.9	0	0	0	123.5	G203	D201-G203 PolarHBondContact O-N 2.92Å
202	K	29.4	Very low	35.6	Very low	188 Å²	188	97.8 Å²	97.8	82%	0.817	51%	0.513	S	S	*	.			trans	55.8	53.8	134.5	-60.2	178.9	-171.6	94.9	0	119.1
203	G	27.7	Very low	37.1	Very low	65 Å²	65	97.4 Å²	97.4	67%	0.67	50%	0.495	S	S	*	.			trans	-129.2	71.4	178.4	0	0	0	0	0	117.5	D201 T205	D201-G203 PolarHBondContact O-N 2.92Å; G203-T205 WeakPolarHBondContact O-CG2 3.27Å
204	R	37.8	Very low	39.1	Very low	208 Å²	208	94.1 Å²	94.1	79%	0.785	48%	0.477	S	S	*	.			trans	-26.4	132.6	175.4	-58.9	168.8	-178.6	159.6	-0.1	117.1	T89 Y206	T89-R204 WeakPolarHBondContact CG2-O 3.26Å; R204-Y206 HydrophobicContact CB-CE2 4.29Å
205	T	27.7	Very low	41.2	Very low	42 Å²	42	93.1 Å²	93.1	26%	0.258	47%	0.469	S	S	.	.			trans	-139.9	105.8	165.2	91.2	0	0	0	0	112.6	T89 K195 G203	T89-T205 HydrophobicContact CG2-CG2 3.82Å; T89-T205 WeakPolarHBondContact OG1-CB 3.29Å; K195-T205 VanDerWaalsContact NZ-CG2 3.32Å; K195-T205 PolarHBondContact NZ-OG1 3.27Å; G203-T205 WeakPolarHBondContact O-CG2 3.27Å
206	Y	31.1	Very low	43.4	Very low	172 Å²	172	90.6 Å²	90.6	68%	0.675	46%	0.458	S	S	*	.			trans	-93	112.7	177.2	-61.6	-85.9	0	0	0	110.4	R204 G222	R204-Y206 HydrophobicContact CB-CE2 4.29Å; Y206-G222 WeakPolarHBondContact CE1-O 3.37Å
207	S	30.1	Very low	45.9	Very low	72 Å²	72	88.8 Å²	88.8	50%	0.503	45%	0.449	S	S	.	.			trans	-150.3	102.2	173.7	-62.3	0	0	0	0	110.9	C209	S207-C209 PolarHBondContact O-N 3.18Å; S207-C209 VanDerWaalsContact O-N 3.11Å
208	F	29.5	Very low	48.4	Very low	173 Å²	173	86 Å²	86	76%	0.759	44%	0.437	S	S	*	.			trans	-70.2	96.8	173.6	-111.1	-101.8	0	0	0	109.4
209	C	30.1	Very low	50.8	Low	47 Å²	47	81.8 Å²	81.8	32%	0.318	42%	0.415	S	S	.	.			trans	-148.8	112.3	179.9	-69.1	0	0	0	0	109.5	K86 S207	K86-C209 PolarHBondContact NZ-SG 2.76Å; S207-C209 PolarHBondContact O-N 3.18Å; S207-C209 VanDerWaalsContact O-N 3.11Å
210	G	42.3	Very low	52.9	Low	41 Å²	41	74.4 Å²	74.4	42%	0.423	38%	0.381	S	S	.	.	S	Bend	trans	149.2	160.7	175.3	0	0	0	0	0	112.2	I212 M215	G210-I212 PolarHBondContact O-N 3.09Å; G210-M215 WeakPolarHBondContact O-CE 3.12Å
211	T	56	Low	55.2	Low	50 Å²	50	70.7 Å²	70.7	31%	0.307	36%	0.358	S	S	.	.			trans	-69.8	121.4	167.2	-56.9	0	0	0	0	107.9	E213 Y214	T211-E213 HydrophobicContact CG2-CB 4.4Å; T211-E213 PolarHBondContact O-N 3.32Å; T211-Y214 HydrophobicContact CG2-CD2 4.16Å; T211-Y214 HydrophobicContact CG2-CE2 4.34Å; T211-Y214 PolarHBondContact O-N 3.07Å
212	I	66.4	Low	56.8	Low	22 Å²	22	66.2 Å²	66.2	11%	0.113	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-63.2	-22.4	-165.6	-164.8	163.9	0	0	0	113.7	G210 M215 I220 Q258 V261 I265	G210-I212 PolarHBondContact O-N 3.09Å; I212-M215 HydrophobicContact CG1-SD 4.36Å; I212-M215 WeakPolarHBondContact O-CB 3.18Å; I212-M215 PolarHBondContact O-N 2.87Å; I212-I220 HydrophobicContact CG1-CD1 4.36Å; I212-Q258 HydrophobicContact CD1-CB 4.05Å; I212-Q258 WeakPolarHBondContact CD1-O 3.5Å; I212-Q258 HydrophobicContact CG2-CG 4.33Å; I212-V261 HydrophobicContact CG2-CB 4.2Å; I212-V261 HydrophobicContact CG2-CG1 3.97Å; I212-I265 WeakPolarHBondContact O-CD1 3.48Å
213	E	77.4	Confident	57.6	Low	50 Å²	50	66.1 Å²	66.1	23%	0.234	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-65.2	-36.8	-178.6	-64.6	173.7	-126.4	0	0	112.9	T211 S247 T250 V261	T211-E213 HydrophobicContact CG2-CB 4.4Å; T211-E213 PolarHBondContact O-N 3.32Å; E213-S247 WeakPolarHBondContact OE2-CB 3.43Å; E213-S247 PolarHBondContact OE2-OG 2.88Å; E213-T250 HydrophobicContact CG-CG2 4.21Å; E213-T250 WeakPolarHBondContact OE2-CG2 3.42Å; E213-V261 HydrophobicContact CG-CG1 3.85Å
214	Y	79.6	Confident	58.3	Low	16 Å²	16	67.2 Å²	67.2	6%	0.063	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-85.2	-7	176.8	-61.1	-87.1	0	0	0	113.5	I173 K174 L175 T211 S234 I237 L238 E241	I173-Y214 WeakPolarHBondContact O-CB 3.47Å; I173-Y214 VanDerWaalsContact O-CD1 3.27Å; I173-Y214 WeakPolarHBondContact O-CD1 3.41Å; K174-Y214 HydrophobicContact CB-CD1 4.33Å; K174-Y214 HydrophobicContact CB-CD2 3.66Å; K174-Y214 HydrophobicContact CB-CE1 4.14Å; K174-Y214 HydrophobicContact CB-CE2 3.4Å; K174-Y214 VanDerWaalsContact CB-CE2 3.4Å; K174-Y214 HydrophobicContact CB-CG 4.1Å; L175-Y214 PolarHBondContact N-OH 2.92Å; T211-Y214 HydrophobicContact CG2-CD2 4.16Å; T211-Y214 HydrophobicContact CG2-CE2 4.34Å; T211-Y214 PolarHBondContact O-N 3.07Å; Y214-S234 PolarHBondContact O-OG 2.87Å; Y214-I237 HydrophobicContact CD1-CB 3.87Å; Y214-I237 HydrophobicContact CD1-CG2 3.55Å; Y214-I237 HydrophobicContact CE1-CB 4.37Å; Y214-I237 HydrophobicContact CE1-CG2 3.78Å; Y214-I237 HydrophobicContact CG-CG2 4.22Å; Y214-L238 HydrophobicContact CE1-CB 4.48Å; Y214-E241 WeakPolarHBondContact CE1-OE2 3.46Å; Y214-E241 VanDerWaalsContact OH-CD 3.25Å; Y214-E241 PolarHBondContact OH-OE1 3.32Å; Y214-E241 PolarHBondContact OH-OE2 3.03Å
215	M	81.8	Confident	58.8	Low	19 Å²	19	60.7 Å²	60.7	9%	0.094	33%	0.334	C	S	.	.			trans	-74.1	129.8	-175.8	-70.2	-169.2	-178.7	0	0	112.3	G210 I212 I219 I220 W233	G210-M215 WeakPolarHBondContact O-CE 3.12Å; I212-M215 HydrophobicContact CG1-SD 4.36Å; I212-M215 WeakPolarHBondContact O-CB 3.18Å; I212-M215 PolarHBondContact O-N 2.87Å; M215-I219 HydrophobicContact CG-CG2 4.46Å; M215-I219 HydrophobicContact SD-CG2 3.98Å; M215-I220 HydrophobicContact CB-CD1 4.07Å; M215-I220 HydrophobicContact CB-CG1 3.85Å; M215-W233 PolarHBondContact O-NE1 2.78Å
216	A	85.1	Confident	60.3	Low	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.331	C	S	.	.			trans	-64.6	146.6	175.3	0	0	0	0	0	112.3	E218 I219 I220 V230 W233	A216-E218 VanDerWaalsContact CB-CD 3.44Å; A216-E218 HydrophobicContact CB-CG 4.18Å; A216-E218 WeakPolarHBondContact CB-OE1 3.37Å; A216-E218 PolarHBondContact O-N 3.34Å; A216-E218 VanDerWaalsContact O-N 3.08Å; A216-I219 HydrophobicContact CB-CD1 4.3Å; A216-I219 HydrophobicContact CB-CG1 4.34Å; A216-I219 WeakPolarHBondContact O-CB 3.3Å; A216-I219 PolarHBondContact O-N 2.96Å; A216-I220 PolarHBondContact O-N 2.77Å; A216-V230 HydrophobicContact CB-CB 4.14Å; A216-V230 HydrophobicContact CB-CG1 4Å; A216-W233 VanDerWaalsContact CA-CD1 3.48Å; A216-W233 HydrophobicContact CB-CB 3.81Å; A216-W233 HydrophobicContact CB-CD2 4.32Å; A216-W233 HydrophobicContact CB-CG 3.72Å
217	P	86.9	Confident	62.1	Low	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-52.1	-34.4	-178.6	-31.6	37.3	0	0	0	114.6	R221 W233 I265 L266 K290	P217-R221 WeakPolarHBondContact O-CB 3.33Å; P217-R221 WeakPolarHBondContact O-CD 3.32Å; P217-R221 WeakPolarHBondContact O-CG 3.5Å; P217-R221 PolarHBondContact O-N 2.66Å; P217-W233 HydrophobicContact CG-CD2 4.47Å; P217-W233 HydrophobicContact CG-CE3 4.16Å; P217-W233 HydrophobicContact CG-CH2 3.52Å; P217-W233 HydrophobicContact CG-CZ2 3.88Å; P217-W233 HydrophobicContact CG-CZ3 3.66Å; P217-I265 HydrophobicContact CB-CG2 4.46Å; P217-I265 HydrophobicContact CG-CG2 3.81Å; P217-L266 HydrophobicContact CB-CD2 3.88Å; P217-L266 WeakPolarHBondContact O-CD2 3.46Å; P217-K290 HydrophobicContact CG-CB 4.27Å; P217-K290 HydrophobicContact CG-CG 4.06Å
218	E	84.1	Confident	64.6	Low	5 Å²	5	54.7 Å²	54.7	2%	0.023	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-41.1	174.7	57.6	-87.9	-153.2	0	0	113	A216 R221 G222 H226 V230 R295	A216-E218 VanDerWaalsContact CB-CD 3.44Å; A216-E218 HydrophobicContact CB-CG 4.18Å; A216-E218 WeakPolarHBondContact CB-OE1 3.37Å; A216-E218 PolarHBondContact O-N 3.34Å; A216-E218 VanDerWaalsContact O-N 3.08Å; E218-R221 PolarHBondContact O-N 2.84Å; E218-G222 PolarHBondContact O-N 3.37Å; E218-H226 WeakPolarHBondContact CG-ND1 3.39Å; E218-H226 PolarHBondContact O-CE1 2.67Å; E218-V230 HydrophobicContact CG-CG1 4.15Å; E218-R295 IonicContact OE1-CZ 3.89Å; E218-R295 IonicContact OE1-NH1 3.69Å; E218-R295 PolarHBondContact OE1-NH1 2.93Å; E218-R295 IonicContact OE1-NH2 2.71Å; E218-R295 PolarHBondContact OE1-NH2 3.04Å; E218-R295 IonicContact OE2-CZ 3.74Å; E218-R295 IonicContact OE2-NH1 2.9Å; E218-R295 IonicContact OE2-NH2 2.67Å; E218-R295 PolarHBondContact OE2-NH2 3.15Å
219	I	78	Confident	67.3	Low	46 Å²	46	47.3 Å²	47.3	24%	0.236	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-48.5	177.2	-60.1	177.1	0	0	0	109.3	M215 A216 R221 G222 H226 V230	M215-I219 HydrophobicContact CG-CG2 4.46Å; M215-I219 HydrophobicContact SD-CG2 3.98Å; A216-I219 HydrophobicContact CB-CD1 4.3Å; A216-I219 HydrophobicContact CB-CG1 4.34Å; A216-I219 WeakPolarHBondContact O-CB 3.3Å; A216-I219 PolarHBondContact O-N 2.96Å; I219-R221 VanDerWaalsContact C-N 3.28Å; I219-R221 PolarHBondContact O-N 2.85Å; I219-G222 PolarHBondContact O-N 3.46Å; I219-G222 VanDerWaalsContact O-N 3.11Å; I219-H226 PolarHBondContact N-CE1 2.85Å; I219-V230 HydrophobicContact CD1-CB 4.02Å; I219-V230 HydrophobicContact CD1-CG1 3.9Å; I219-V230 HydrophobicContact CD1-CG2 4.46Å; I219-V230 HydrophobicContact CG1-CG1 4.01Å
220	I	76.6	Confident	70	Confident	25 Å²	25	45.1 Å²	45.1	13%	0.128	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-32.8	-179.3	-58.4	-179	0	0	0	111.7	I212 M215 A216 G222 S262 I265 L266	I212-I220 HydrophobicContact CG1-CD1 4.36Å; M215-I220 HydrophobicContact CB-CD1 4.07Å; M215-I220 HydrophobicContact CB-CG1 3.85Å; A216-I220 PolarHBondContact O-N 2.77Å; I220-G222 VanDerWaalsContact C-N 3.32Å; I220-G222 PolarHBondContact O-N 2.84Å; I220-S262 WeakPolarHBondContact CG2-OG 3.45Å; I220-I265 HydrophobicContact CD1-CB 3.94Å; I220-I265 HydrophobicContact CD1-CD1 3.62Å; I220-I265 HydrophobicContact CD1-CG1 4.38Å; I220-I265 HydrophobicContact CD1-CG2 3.63Å; I220-L266 HydrophobicContact CB-CD2 4.19Å; I220-L266 HydrophobicContact CG2-CD1 3.9Å; I220-L266 HydrophobicContact CG2-CD2 4.18Å; I220-L266 HydrophobicContact CG2-CG 4.02Å
221	R	76.1	Confident	72.2	Confident	115 Å²	115	43.1 Å²	43.1	43%	0.434	24%	0.243	S	C	.	.	H	α-helix	trans	-72.8	-19.7	176.8	-75.4	165.2	-176.9	154.4	5.6	113.8	P217 E218 I219 K223 L266 K290	P217-R221 WeakPolarHBondContact O-CB 3.33Å; P217-R221 WeakPolarHBondContact O-CD 3.32Å; P217-R221 WeakPolarHBondContact O-CG 3.5Å; P217-R221 PolarHBondContact O-N 2.66Å; E218-R221 PolarHBondContact O-N 2.84Å; I219-R221 VanDerWaalsContact C-N 3.28Å; I219-R221 PolarHBondContact O-N 2.85Å; R221-K223 VanDerWaalsContact C-N 3.26Å; R221-K223 WeakPolarHBondContact O-CG 3.41Å; R221-K223 PolarHBondContact O-N 3.41Å; R221-K223 VanDerWaalsContact O-N 3.15Å; R221-L266 HydrophobicContact CG-CD1 4.47Å; R221-L266 HydrophobicContact CG-CD2 3.76Å; R221-K290 PolarHBondContact NH1-O 3.06Å
222	G	58.8	Low	74.1	Confident	34 Å²	34	40.8 Å²	40.8	35%	0.351	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	23.8	172.4	0	0	0	0	0	116.2	Y206 E218 I219 I220	Y206-G222 WeakPolarHBondContact CE1-O 3.37Å; E218-G222 PolarHBondContact O-N 3.37Å; I219-G222 PolarHBondContact O-N 3.46Å; I219-G222 VanDerWaalsContact O-N 3.11Å; I220-G222 VanDerWaalsContact C-N 3.32Å; I220-G222 PolarHBondContact O-N 2.84Å
223	K	45.8	Very low	75.4	Confident	187 Å²	187	39.8 Å²	39.8	81%	0.813	22%	0.223	S	C	*	.	S	Bend	trans	-125	-9.3	-168.3	-80.2	178.5	-178.9	-176.2	0	116.5	R221	R221-K223 VanDerWaalsContact C-N 3.26Å; R221-K223 WeakPolarHBondContact O-CG 3.41Å; R221-K223 PolarHBondContact O-N 3.41Å; R221-K223 VanDerWaalsContact O-N 3.15Å
224	T	42.9	Very low	76	Confident	87 Å²	87	37.6 Å²	37.6	53%	0.534	21%	0.214	S	C	.	.	S	Bend	trans	-132.3	158.4	-178.1	52.4	0	0	0	0	110.6	H226	T224-H226 PolarHBondContact O-CE1 2.79Å; T224-H226 PolarHBondContact O-NE2 2.84Å
225	G	48.2	Very low	76.8	Confident	72 Å²	72	36.9 Å²	36.9	74%	0.742	21%	0.211	S	C	*	.			trans	-62.3	153.7	166.1	0	0	0	0	0	111
226	H	59.2	Low	77.4	Confident	44 Å²	44	36 Å²	36	20%	0.204	21%	0.206	C	C	.	.			trans	-118.5	122.6	179.8	-54.3	-44.9	0	0	0	108.9	E218 I219 T224 V230	E218-H226 WeakPolarHBondContact CG-ND1 3.39Å; E218-H226 PolarHBondContact O-CE1 2.67Å; I219-H226 PolarHBondContact N-CE1 2.85Å; T224-H226 PolarHBondContact O-CE1 2.79Å; T224-H226 PolarHBondContact O-NE2 2.84Å; H226-V230 HydrophobicContact CB-CG1 3.85Å
227	G	68.9	Low	77.8	Confident	34 Å²	34	36 Å²	36	35%	0.351	21%	0.206	S	C	.	.			trans	-102.6	-165.4	176.1	0	0	0	0	0	112.2	S229 V230	G227-S229 PolarHBondContact O-N 3.3Å; G227-V230 WeakPolarHBondContact O-CG2 3.48Å; G227-V230 PolarHBondContact O-N 3.32Å
228	K	82	Confident	78.2	Confident	82 Å²	82	36 Å²	36	36%	0.357	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-25.9	178.4	-67.4	169.5	-171.6	-177.8	0	114.6	H164 V169 V230 D231	H164-K228 HydrophobicContact CB-CD 3.97Å; H164-K228 HydrophobicContact CB-CG 4.35Å; H164-K228 PolarHBondContact CE1-O 3.48Å; H164-K228 VanDerWaalsContact O-CE 3.24Å; H164-K228 WeakPolarHBondContact O-CE 3.42Å; H164-K228 PolarHBondContact O-NZ 2.71Å; V169-K228 HydrophobicContact CG2-CG 4.15Å; K228-V230 PolarHBondContact O-N 3.48Å; K228-D231 PolarHBondContact O-N 3.47Å
229	S	87.3	Confident	78.7	Confident	17 Å²	17	35.8 Å²	35.8	12%	0.119	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-19.5	-179.9	54.8	0	0	0	0	115.1	G227 W232 W233 R295	G227-S229 PolarHBondContact O-N 3.3Å; S229-W232 PolarHBondContact O-N 3.05Å; S229-W233 PolarHBondContact O-N 3.44Å; S229-R295 WeakPolarHBondContact O-CD 3.33Å; S229-R295 PolarHBondContact O-NH1 2.95Å
230	V	86.9	Confident	79.5	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-69.7	-36.4	176.7	-57.9	0	0	0	0	112.2	V169 R171 A216 E218 I219 H226 G227 K228 W232 W233 S234	V169-V230 HydrophobicContact CG1-CG2 3.86Å; R171-V230 HydrophobicContact CG-CG2 4.01Å; A216-V230 HydrophobicContact CB-CB 4.14Å; A216-V230 HydrophobicContact CB-CG1 4Å; E218-V230 HydrophobicContact CG-CG1 4.15Å; I219-V230 HydrophobicContact CD1-CB 4.02Å; I219-V230 HydrophobicContact CD1-CG1 3.9Å; I219-V230 HydrophobicContact CD1-CG2 4.46Å; I219-V230 HydrophobicContact CG1-CG1 4.01Å; H226-V230 HydrophobicContact CB-CG1 3.85Å; G227-V230 WeakPolarHBondContact O-CG2 3.48Å; G227-V230 PolarHBondContact O-N 3.32Å; K228-V230 PolarHBondContact O-N 3.48Å; V230-W232 VanDerWaalsContact C-N 3.26Å; V230-W232 PolarHBondContact O-N 3.08Å; V230-W233 WeakPolarHBondContact O-CB 3.46Å; V230-W233 PolarHBondContact O-N 2.97Å; V230-W233 VanDerWaalsContact O-N 3.1Å; V230-S234 PolarHBondContact O-N 2.86Å; V230-S234 PolarHBondContact O-OG 2.79Å
231	D	89	Confident	80.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.9	-34.6	178.4	-66.1	-16.5	0	0	0	110.7	L160 H164 V169 Y170 R171 K228 S234 L235	L160-D231 HydrophobicContact CD1-CB 4.19Å; L160-D231 HydrophobicContact CD2-CB 3.92Å; H164-D231 IonicContact CD2-OD2 3.92Å; H164-D231 IonicContact CE1-OD2 2.73Å; H164-D231 IonicContact NE2-OD2 2.88Å; H164-D231 PolarHBondContact NE2-OD2 3.38Å; V169-D231 VanDerWaalsContact CG1-OD2 3.25Å; V169-D231 WeakPolarHBondContact CG1-OD2 3.31Å; Y170-D231 PolarHBondContact N-OD2 2.86Å; R171-D231 WeakPolarHBondContact CA-OD1 3.44Å; R171-D231 PolarHBondContact N-OD1 2.94Å; K228-D231 PolarHBondContact O-N 3.47Å; D231-S234 PolarHBondContact O-N 3.48Å; D231-L235 VanDerWaalsContact O-CB 3.3Å; D231-L235 WeakPolarHBondContact O-CB 3.27Å; D231-L235 PolarHBondContact O-N 3.18Å
232	W	94.5	Very high	80.9	Confident	1 Å²	1	27.9 Å²	27.9	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-70.5	-27.3	174.5	-53.5	141.7	0	0	0	113.9	I157 L160 H164 S229 V230 L235 G236 L287 G297 A303 I306	I157-W232 HydrophobicContact CG1-CZ3 4.44Å; L160-W232 HydrophobicContact CB-CH2 3.77Å; L160-W232 HydrophobicContact CB-CZ3 3.71Å; L160-W232 HydrophobicContact CD1-CE3 4Å; L160-W232 HydrophobicContact CD1-CZ3 3.64Å; L160-W232 HydrophobicContact CG-CZ3 4.34Å; H164-W232 AromaticContact CE1-CE2 3.65Å; H164-W232 AromaticContact CE1-CZ2 3.53Å; H164-W232 AromaticContact ND1-CE2 3.76Å; H164-W232 AromaticContact ND1-CZ2 3.33Å; H164-W232 VanDerWaalsContact ND1-CZ2 3.33Å; H164-W232 WeakPolarHBondContact ND1-CZ2 3.29Å; S229-W232 PolarHBondContact O-N 3.05Å; V230-W232 VanDerWaalsContact C-N 3.26Å; V230-W232 PolarHBondContact O-N 3.08Å; W232-L235 HydrophobicContact CE3-CD2 3.79Å; W232-L235 HydrophobicContact CZ3-CD2 4.06Å; W232-G236 PolarHBondContact O-N 2.82Å; W232-L287 HydrophobicContact CB-CD2 4.23Å; W232-G297 VanDerWaalsContact CD1-C 3.44Å; W232-G297 VanDerWaalsContact CD1-O 3.29Å; W232-G297 PolarHBondContact NE1-O 3.09Å; W232-A303 HydrophobicContact CH2-CB 3.89Å; W232-A303 HydrophobicContact CZ2-CB 3.94Å; W232-I306 HydrophobicContact CB-CD1 4.4Å; W232-I306 HydrophobicContact CD2-CD1 3.4Å; W232-I306 HydrophobicContact CE3-CD1 3.45Å; W232-I306 VanDerWaalsContact CE3-CD1 3.45Å; W232-I306 HydrophobicContact CG-CD1 3.84Å; W232-I306 HydrophobicContact CH2-CD1 4.23Å; W232-I306 HydrophobicContact CZ2-CD1 4.17Å; W232-I306 HydrophobicContact CZ3-CD1 3.88Å
233	W	93.4	Very high	82.6	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.6	-51.4	168.8	173.3	-81.7	0	0	0	110.3	M215 A216 P217 S229 V230 L235 G236 I237 F249 I265 L288 K290	M215-W233 PolarHBondContact O-NE1 2.78Å; A216-W233 VanDerWaalsContact CA-CD1 3.48Å; A216-W233 HydrophobicContact CB-CB 3.81Å; A216-W233 HydrophobicContact CB-CD2 4.32Å; A216-W233 HydrophobicContact CB-CG 3.72Å; P217-W233 HydrophobicContact CG-CD2 4.47Å; P217-W233 HydrophobicContact CG-CE3 4.16Å; P217-W233 HydrophobicContact CG-CH2 3.52Å; P217-W233 HydrophobicContact CG-CZ2 3.88Å; P217-W233 HydrophobicContact CG-CZ3 3.66Å; S229-W233 PolarHBondContact O-N 3.44Å; V230-W233 WeakPolarHBondContact O-CB 3.46Å; V230-W233 PolarHBondContact O-N 2.97Å; V230-W233 VanDerWaalsContact O-N 3.1Å; W233-L235 VanDerWaalsContact C-N 3.27Å; W233-L235 PolarHBondContact O-N 3.17Å; W233-G236 WeakPolarHBondContact O-CA 3.4Å; W233-G236 PolarHBondContact O-N 3.38Å; W233-I237 HydrophobicContact CZ2-CD1 4.18Å; W233-I237 PolarHBondContact O-N 2.95Å; W233-F249 HydrophobicContact CH2-CE2 4.3Å; W233-F249 HydrophobicContact CH2-CZ 4.25Å; W233-F249 AromaticContact CZ2-CE2 3.75Å; W233-F249 HydrophobicContact CZ2-CE2 3.75Å; W233-F249 HydrophobicContact CZ2-CZ 4.15Å; W233-I265 HydrophobicContact CH2-CG2 4.48Å; W233-I265 HydrophobicContact CZ2-CG2 3.87Å; W233-L288 HydrophobicContact CD2-CD2 4.05Å; W233-L288 HydrophobicContact CE3-CD2 4.21Å; W233-L288 HydrophobicContact CH2-CB 4.47Å; W233-L288 HydrophobicContact CH2-CD2 4.44Å; W233-L288 HydrophobicContact CZ2-CD2 4.27Å; W233-L288 HydrophobicContact CZ3-CB 4.23Å; W233-L288 HydrophobicContact CZ3-CD2 4.42Å; W233-L288 VanDerWaalsContact CZ3-O 3.3Å; W233-L288 WeakPolarHBondContact CZ3-O 3.41Å; W233-K290 HydrophobicContact CH2-CG 4.35Å; W233-K290 HydrophobicContact CZ3-CG 4.32Å
234	S	91.4	Very high	84.6	Confident	5 Å²	5	18.9 Å²	18.9	4%	0.035	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-34	-178.9	-51.6	0	0	0	0	112.1	Y214 V230 D231 G236 I237 L238	Y214-S234 PolarHBondContact O-OG 2.87Å; V230-S234 PolarHBondContact O-N 2.86Å; V230-S234 PolarHBondContact O-OG 2.79Å; D231-S234 PolarHBondContact O-N 3.48Å; S234-G236 VanDerWaalsContact C-N 3.32Å; S234-G236 PolarHBondContact O-N 3.33Å; S234-I237 PolarHBondContact O-N 3.33Å; S234-L238 WeakPolarHBondContact O-CB 3.42Å; S234-L238 PolarHBondContact O-N 3.44Å
235	L	95.3	Very high	86.6	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-38.7	168.5	-174.1	70.2	0	0	0	112.4	I153 I156 I157 L160 D231 W232 W233 M239	I153-L235 HydrophobicContact CD1-CD1 3.87Å; I153-L235 HydrophobicContact CG2-CD1 4.16Å; I153-L235 HydrophobicContact CG2-CD2 4.33Å; I153-L235 HydrophobicContact CG2-CG 4.33Å; I156-L235 HydrophobicContact CB-CD1 4.07Å; I156-L235 HydrophobicContact CG2-CD1 3.52Å; I157-L235 HydrophobicContact CD1-CD2 4.22Å; I157-L235 HydrophobicContact CG1-CD2 3.63Å; L160-L235 HydrophobicContact CD1-CD1 4.45Å; D231-L235 VanDerWaalsContact O-CB 3.3Å; D231-L235 WeakPolarHBondContact O-CB 3.27Å; D231-L235 PolarHBondContact O-N 3.18Å; W232-L235 HydrophobicContact CE3-CD2 3.79Å; W232-L235 HydrophobicContact CZ3-CD2 4.06Å; W233-L235 VanDerWaalsContact C-N 3.27Å; W233-L235 PolarHBondContact O-N 3.17Å; L235-M239 VanDerWaalsContact O-CB 3.29Å; L235-M239 WeakPolarHBondContact O-CB 3.31Å; L235-M239 PolarHBondContact O-N 3.27Å
236	G	95.6	Very high	88.2	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68	-35.5	174.9	0	0	0	0	0	113.3	W232 W233 S234 F240 L284	W232-G236 PolarHBondContact O-N 2.82Å; W233-G236 WeakPolarHBondContact O-CA 3.4Å; W233-G236 PolarHBondContact O-N 3.38Å; S234-G236 VanDerWaalsContact C-N 3.32Å; S234-G236 PolarHBondContact O-N 3.33Å; G236-F240 PolarHBondContact O-N 3.31Å; G236-F240 VanDerWaalsContact O-N 3.17Å; G236-L284 WeakPolarHBondContact O-CD2 3.43Å
237	I	93.5	Very high	89.4	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.3	-50.4	173.4	-57.9	-65.2	0	0	0	109.7	Y214 W233 S234 M239 F240 E241 P248 F249 L288	Y214-I237 HydrophobicContact CD1-CB 3.87Å; Y214-I237 HydrophobicContact CD1-CG2 3.55Å; Y214-I237 HydrophobicContact CE1-CB 4.37Å; Y214-I237 HydrophobicContact CE1-CG2 3.78Å; Y214-I237 HydrophobicContact CG-CG2 4.22Å; W233-I237 HydrophobicContact CZ2-CD1 4.18Å; W233-I237 PolarHBondContact O-N 2.95Å; S234-I237 PolarHBondContact O-N 3.33Å; I237-M239 PolarHBondContact O-N 3.35Å; I237-F240 VanDerWaalsContact O-CB 3.31Å; I237-F240 WeakPolarHBondContact O-CB 3.35Å; I237-F240 PolarHBondContact O-N 2.77Å; I237-E241 PolarHBondContact O-N 3.39Å; I237-P248 HydrophobicContact CD1-CG 3.65Å; I237-P248 HydrophobicContact CG2-CG 4.25Å; I237-F249 HydrophobicContact CD1-CD2 3.95Å; I237-F249 HydrophobicContact CD1-CE2 3.67Å; I237-L288 HydrophobicContact CD1-CD2 3.59Å; I237-L288 HydrophobicContact CG1-CD2 4.01Å
238	L	93.6	Very high	90.2	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-56.8	-47.5	176.5	179.8	76.1	0	0	0	112.1	I153 I156 I173 L175 I178 Y214 S234 F240 E241 L242	I153-L238 HydrophobicContact CD1-CD2 4.07Å; I153-L238 HydrophobicContact CD1-CG 4.45Å; I156-L238 HydrophobicContact CD1-CD2 3.49Å; I156-L238 VanDerWaalsContact CD1-CD2 3.49Å; I173-L238 HydrophobicContact CG2-CB 4.17Å; I173-L238 HydrophobicContact CG2-CD2 4.03Å; L175-L238 HydrophobicContact CD2-CD1 3.53Å; L175-L238 HydrophobicContact CG-CD1 3.78Å; I178-L238 HydrophobicContact CD1-CD1 3.68Å; I178-L238 HydrophobicContact CD1-CD2 3.38Å; I178-L238 HydrophobicContact CD1-CG 4.18Å; Y214-L238 HydrophobicContact CE1-CB 4.48Å; S234-L238 WeakPolarHBondContact O-CB 3.42Å; S234-L238 PolarHBondContact O-N 3.44Å; L238-F240 PolarHBondContact O-N 3.26Å; L238-E241 PolarHBondContact O-N 3.19Å; L238-L242 HydrophobicContact CD1-CG 4.47Å; L238-L242 HydrophobicContact CG-CD1 4.18Å; L238-L242 HydrophobicContact CG-CG 4.37Å; L238-L242 WeakPolarHBondContact O-CG 3.43Å; L238-L242 PolarHBondContact O-N 3.18Å
239	M	96	Very high	90.4	Very high	0 Å²	0	9 Å²	9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.4	-35.2	177.6	-179.7	-177.4	170.9	0	0	111.7	V149 I153 L235 I237 L243 A280 L283 L284 F311	V149-M239 HydrophobicContact CG1-CG 3.93Å; I153-M239 HydrophobicContact CD1-CB 3.8Å; I153-M239 HydrophobicContact CD1-CG 4.41Å; I153-M239 HydrophobicContact CG1-CB 4.11Å; I153-M239 HydrophobicContact CG1-CG 4.16Å; L235-M239 VanDerWaalsContact O-CB 3.29Å; L235-M239 WeakPolarHBondContact O-CB 3.31Å; L235-M239 PolarHBondContact O-N 3.27Å; I237-M239 PolarHBondContact O-N 3.35Å; M239-L243 HydrophobicContact CE-CD1 3.82Å; M239-L243 HydrophobicContact CG-CD1 4.06Å; M239-L243 WeakPolarHBondContact O-CD1 3.26Å; M239-L243 VanDerWaalsContact O-CG 3.25Å; M239-L243 WeakPolarHBondContact O-CG 3.5Å; M239-L243 PolarHBondContact O-N 3.27Å; M239-A280 HydrophobicContact CE-CB 3.92Å; M239-L283 HydrophobicContact CE-CB 4.34Å; M239-L283 HydrophobicContact CE-CD2 3.96Å; M239-L283 HydrophobicContact CE-CG 4.38Å; M239-L283 HydrophobicContact SD-CD2 3.71Å; M239-L283 HydrophobicContact SD-CG 4Å; M239-L284 HydrophobicContact CB-CD2 3.82Å; M239-L284 HydrophobicContact CE-CG 4.16Å; M239-L284 HydrophobicContact CG-CD2 3.78Å; M239-L284 HydrophobicContact CG-CG 4.36Å; M239-L284 HydrophobicContact SD-CD2 3.87Å; M239-L284 HydrophobicContact SD-CG 4.04Å; M239-F311 HydrophobicContact CE-CD1 4.04Å; M239-F311 HydrophobicContact CE-CD2 4.32Å; M239-F311 HydrophobicContact CE-CE1 3.66Å; M239-F311 HydrophobicContact CE-CE2 3.99Å; M239-F311 HydrophobicContact CE-CG 4.35Å; M239-F311 HydrophobicContact CE-CZ 3.65Å
240	F	94.2	Very high	89.9	Confident	6 Å²	6	10 Å²	10	3%	0.026	7%	0.073	C	C	.	.	H	α-helix	trans	-67.1	-46.9	176.4	-175.5	-84.7	0	0	0	111.7	G236 I237 L238 L243 T244 A246 P248 P271 F272 I276 L284	G236-F240 PolarHBondContact O-N 3.31Å; G236-F240 VanDerWaalsContact O-N 3.17Å; I237-F240 VanDerWaalsContact O-CB 3.31Å; I237-F240 WeakPolarHBondContact O-CB 3.35Å; I237-F240 PolarHBondContact O-N 2.77Å; L238-F240 PolarHBondContact O-N 3.26Å; F240-L243 PolarHBondContact O-N 3.08Å; F240-T244 HydrophobicContact CD1-CG2 4.45Å; F240-T244 WeakPolarHBondContact CD1-OG1 3.36Å; F240-T244 HydrophobicContact CE1-CG2 4.07Å; F240-T244 VanDerWaalsContact CE1-OG1 3.31Å; F240-T244 WeakPolarHBondContact CE1-OG1 3.46Å; F240-T244 HydrophobicContact CE2-CG2 4.3Å; F240-T244 HydrophobicContact CZ-CG2 3.99Å; F240-T244 WeakPolarHBondContact O-CB 3.47Å; F240-T244 WeakPolarHBondContact O-CG2 3.48Å; F240-T244 PolarHBondContact O-N 3.25Å; F240-T244 VanDerWaalsContact O-N 3.15Å; F240-T244 PolarHBondContact O-OG1 3.15Å; F240-A246 WeakPolarHBondContact CD1-O 3.15Å; F240-A246 VanDerWaalsContact CE1-O 3.29Å; F240-A246 WeakPolarHBondContact CE1-O 3.24Å; F240-P248 HydrophobicContact CB-CG 4.3Å; F240-P248 HydrophobicContact CD1-CB 3.6Å; F240-P248 HydrophobicContact CD1-CG 3.89Å; F240-P248 HydrophobicContact CD2-CB 4.23Å; F240-P248 HydrophobicContact CE1-CB 3.73Å; F240-P248 HydrophobicContact CE1-CG 4.46Å; F240-P248 HydrophobicContact CE2-CB 4.36Å; F240-P248 HydrophobicContact CG-CB 3.86Å; F240-P248 HydrophobicContact CG-CG 4.08Å; F240-P248 HydrophobicContact CZ-CB 4.11Å; F240-P271 WeakPolarHBondContact CE2-O 3.35Å; F240-P271 HydrophobicContact CZ-CG 4.49Å; F240-P271 VanDerWaalsContact CZ-O 3.23Å; F240-P271 WeakPolarHBondContact CZ-O 3.46Å; F240-F272 HydrophobicContact CE2-CD1 4.33Å; F240-I276 HydrophobicContact CD2-CD1 3.91Å; F240-I276 HydrophobicContact CE2-CD1 3.61Å; F240-I276 HydrophobicContact CZ-CD1 4.45Å; F240-L284 HydrophobicContact CB-CD2 4.09Å; F240-L284 HydrophobicContact CD2-CD1 4.21Å
241	E	90.7	Very high	89	Confident	13 Å²	13	13.4 Å²	13.4	6%	0.061	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-45.6	178.2	-69.6	171.8	150	0	0	111.7	L138 L175 Y214 I237 L238 L243 T244 G245 A246 S247	L138-E241 HydrophobicContact CD2-CB 4.47Å; L175-E241 HydrophobicContact CD1-CB 4.33Å; Y214-E241 WeakPolarHBondContact CE1-OE2 3.46Å; Y214-E241 VanDerWaalsContact OH-CD 3.25Å; Y214-E241 PolarHBondContact OH-OE1 3.32Å; Y214-E241 PolarHBondContact OH-OE2 3.03Å; I237-E241 PolarHBondContact O-N 3.39Å; L238-E241 PolarHBondContact O-N 3.19Å; E241-L243 PolarHBondContact O-N 2.82Å; E241-L243 VanDerWaalsContact O-N 3.16Å; E241-T244 PolarHBondContact O-N 2.93Å; E241-T244 VanDerWaalsContact O-N 3.09Å; E241-G245 WeakPolarHBondContact O-CA 3.37Å; E241-G245 PolarHBondContact O-N 2.96Å; E241-A246 WeakPolarHBondContact CG-O 3.27Å; E241-S247 WeakPolarHBondContact OE1-CB 3.44Å
242	L	92.2	Very high	87.6	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-59.6	-28.8	177.2	-67.2	-179	0	0	0	112.8	M134 L138 F144 V149 I153 L175 L238	M134-L242 HydrophobicContact CE-CD1 4.19Å; M134-L242 HydrophobicContact CE-CD2 3.46Å; M134-L242 VanDerWaalsContact CE-CD2 3.46Å; M134-L242 HydrophobicContact CE-CG 4.48Å; M134-L242 HydrophobicContact CG-CD2 4.15Å; L138-L242 HydrophobicContact CD1-CD2 4.41Å; L138-L242 HydrophobicContact CD2-CD2 4.49Å; F144-L242 WeakPolarHBondContact CB-O 3.1Å; F144-L242 HydrophobicContact CD2-CB 4.48Å; F144-L242 HydrophobicContact CD2-CD2 3.88Å; F144-L242 HydrophobicContact CE2-CD2 3.99Å; F144-L242 PolarHBondContact N-O 3.44Å; V149-L242 HydrophobicContact CG1-CB 4.44Å; V149-L242 HydrophobicContact CG2-CB 3.77Å; I153-L242 HydrophobicContact CD1-CD1 4.16Å; L175-L242 HydrophobicContact CD2-CD2 3.73Å; L175-L242 HydrophobicContact CD2-CG 4.48Å; L238-L242 HydrophobicContact CD1-CG 4.47Å; L238-L242 HydrophobicContact CG-CD1 4.18Å; L238-L242 HydrophobicContact CG-CG 4.37Å; L238-L242 WeakPolarHBondContact O-CG 3.43Å; L238-L242 PolarHBondContact O-N 3.18Å
243	L	93.4	Very high	85.6	Confident	9 Å²	9	27.2 Å²	27.2	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-88.1	-12.9	178.4	-71.4	170.1	0	0	0	114.6	E146 V149 M239 F240 E241 I276 A280 L284	E146-L243 HydrophobicContact CB-CD2 4.46Å; E146-L243 HydrophobicContact CG-CD2 3.74Å; V149-L243 HydrophobicContact CB-CD2 3.97Å; V149-L243 HydrophobicContact CB-CG 4.38Å; V149-L243 HydrophobicContact CG1-CD1 4.47Å; V149-L243 HydrophobicContact CG1-CD2 4.17Å; V149-L243 HydrophobicContact CG1-CG 4.08Å; V149-L243 HydrophobicContact CG2-CD2 3.68Å; V149-L243 HydrophobicContact CG2-CG 4.03Å; M239-L243 HydrophobicContact CE-CD1 3.82Å; M239-L243 HydrophobicContact CG-CD1 4.06Å; M239-L243 WeakPolarHBondContact O-CD1 3.26Å; M239-L243 VanDerWaalsContact O-CG 3.25Å; M239-L243 WeakPolarHBondContact O-CG 3.5Å; M239-L243 PolarHBondContact O-N 3.27Å; F240-L243 PolarHBondContact O-N 3.08Å; E241-L243 PolarHBondContact O-N 2.82Å; E241-L243 VanDerWaalsContact O-N 3.16Å; L243-I276 HydrophobicContact CD1-CG2 4.41Å; L243-A280 HydrophobicContact CD1-CB 4.06Å; L243-L284 HydrophobicContact CD1-CD1 4.12Å
244	T	88.1	Confident	84.3	Confident	24 Å²	24	32.5 Å²	32.5	15%	0.147	20%	0.203	C	C	.	.	H	α-helix	trans	-137.5	-13.9	-168.3	62.4	0	0	0	0	115.7	F240 E241 A246 P273 M275 I276	F240-T244 HydrophobicContact CD1-CG2 4.45Å; F240-T244 WeakPolarHBondContact CD1-OG1 3.36Å; F240-T244 HydrophobicContact CE1-CG2 4.07Å; F240-T244 VanDerWaalsContact CE1-OG1 3.31Å; F240-T244 WeakPolarHBondContact CE1-OG1 3.46Å; F240-T244 HydrophobicContact CE2-CG2 4.3Å; F240-T244 HydrophobicContact CZ-CG2 3.99Å; F240-T244 WeakPolarHBondContact O-CB 3.47Å; F240-T244 WeakPolarHBondContact O-CG2 3.48Å; F240-T244 PolarHBondContact O-N 3.25Å; F240-T244 VanDerWaalsContact O-N 3.15Å; F240-T244 PolarHBondContact O-OG1 3.15Å; E241-T244 PolarHBondContact O-N 2.93Å; E241-T244 VanDerWaalsContact O-N 3.09Å; T244-A246 PolarHBondContact O-N 2.78Å; T244-A246 PolarHBondContact OG1-N 3.04Å; T244-A246 PolarHBondContact OG1-O 2.89Å; T244-P273 HydrophobicContact CG2-CG 4.36Å; T244-M275 HydrophobicContact CG2-SD 4.27Å; T244-I276 HydrophobicContact CG2-CD1 3.75Å; T244-I276 HydrophobicContact CG2-CG1 3.97Å
245	G	84.4	Confident	82.6	Confident	41 Å²	41	41.9 Å²	41.9	42%	0.423	24%	0.238	S	C	.	.	S	Bend	trans	74.4	-2.7	-171.4	0	0	0	0	0	115.1	D142 E241	D142-G245 WeakPolarHBondContact O-CA 3.17Å; D142-G245 PolarHBondContact O-N 3.42Å; E241-G245 WeakPolarHBondContact O-CA 3.37Å; E241-G245 PolarHBondContact O-N 2.96Å
246	A	82.6	Confident	81.4	Confident	50 Å²	50	45.1 Å²	45.1	41%	0.413	26%	0.255	S	S	.	.	S	Bend	trans	-132.9	148.1	-170.5	0	0	0	0	0	113	F240 E241 T244	F240-A246 WeakPolarHBondContact CD1-O 3.15Å; F240-A246 VanDerWaalsContact CE1-O 3.29Å; F240-A246 WeakPolarHBondContact CE1-O 3.24Å; E241-A246 WeakPolarHBondContact CG-O 3.27Å; T244-A246 PolarHBondContact O-N 2.78Å; T244-A246 PolarHBondContact OG1-N 3.04Å; T244-A246 PolarHBondContact OG1-O 2.89Å
247	S	84.5	Confident	80.2	Confident	12 Å²	12	47.8 Å²	47.8	8%	0.084	27%	0.274	C	S	.	.			trans	-77.5	133.1	176.6	157.4	0	0	0	0	111	E213 E241 F249 T250	E213-S247 WeakPolarHBondContact OE2-CB 3.43Å; E213-S247 PolarHBondContact OE2-OG 2.88Å; E241-S247 WeakPolarHBondContact OE1-CB 3.44Å; S247-F249 PolarHBondContact O-N 3.17Å; S247-T250 WeakPolarHBondContact CB-OG1 3.39Å; S247-T250 PolarHBondContact O-N 3.22Å; S247-T250 PolarHBondContact O-OG1 3.07Å; S247-T250 VanDerWaalsContact O-OG1 3.08Å
248	P	85.8	Confident	78.9	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.032	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-10	-170.3	25.9	-32.3	0	0	0	114.5	I237 F240 P270 P271	I237-P248 HydrophobicContact CD1-CG 3.65Å; I237-P248 HydrophobicContact CG2-CG 4.25Å; F240-P248 HydrophobicContact CB-CG 4.3Å; F240-P248 HydrophobicContact CD1-CB 3.6Å; F240-P248 HydrophobicContact CD1-CG 3.89Å; F240-P248 HydrophobicContact CD2-CB 4.23Å; F240-P248 HydrophobicContact CE1-CB 3.73Å; F240-P248 HydrophobicContact CE1-CG 4.46Å; F240-P248 HydrophobicContact CE2-CB 4.36Å; F240-P248 HydrophobicContact CG-CB 3.86Å; F240-P248 HydrophobicContact CG-CG 4.08Å; F240-P248 HydrophobicContact CZ-CB 4.11Å; P248-P270 HydrophobicContact CB-CB 4.12Å; P248-P271 WeakPolarHBondContact O-CD 3.3Å
249	F	85.3	Confident	78	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.018	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	5.7	-179	-60.3	-69.8	0	0	0	113.9	W233 I237 S247 V261 R264 I265 P270	W233-F249 HydrophobicContact CH2-CE2 4.3Å; W233-F249 HydrophobicContact CH2-CZ 4.25Å; W233-F249 AromaticContact CZ2-CE2 3.75Å; W233-F249 HydrophobicContact CZ2-CE2 3.75Å; W233-F249 HydrophobicContact CZ2-CZ 4.15Å; I237-F249 HydrophobicContact CD1-CD2 3.95Å; I237-F249 HydrophobicContact CD1-CE2 3.67Å; S247-F249 PolarHBondContact O-N 3.17Å; F249-V261 HydrophobicContact CB-CG1 4.38Å; F249-R264 HydrophobicContact CB-CB 4.27Å; F249-R264 HydrophobicContact CD1-CB 4.12Å; F249-R264 WeakPolarHBondContact O-CD 3.43Å; F249-R264 PolarHBondContact O-NH1 2.94Å; F249-R264 VanDerWaalsContact O-NH1 3.12Å; F249-I265 HydrophobicContact CB-CG1 3.82Å; F249-I265 HydrophobicContact CD1-CG1 4.22Å; F249-I265 HydrophobicContact CD2-CD1 4.5Å; F249-I265 HydrophobicContact CD2-CG1 3.54Å; F249-I265 HydrophobicContact CE2-CG1 4.14Å; F249-I265 HydrophobicContact CG-CG1 3.58Å; F249-P270 HydrophobicContact CZ-CB 4.19Å
250	T	77.1	Confident	77.2	Confident	36 Å²	36	60.1 Å²	60.1	22%	0.221	34%	0.339	C	S	.	.			trans	-92.1	149.4	161.9	56.5	0	0	0	0	110.3	E213 S247	E213-T250 HydrophobicContact CG-CG2 4.21Å; E213-T250 WeakPolarHBondContact OE2-CG2 3.42Å; S247-T250 WeakPolarHBondContact CB-OG1 3.39Å; S247-T250 PolarHBondContact O-N 3.22Å; S247-T250 PolarHBondContact O-OG1 3.07Å; S247-T250 VanDerWaalsContact O-OG1 3.08Å
251	L	69.3	Low	76.5	Confident	73 Å²	73	60 Å²	60	38%	0.382	34%	0.338	S	S	.	.			trans	-123.5	129.3	173.6	-69.8	175.6	0	0	0	109.2	E254 N256	L251-E254 HydrophobicContact CB-CB 3.94Å; L251-E254 HydrophobicContact CB-CG 4.02Å; L251-E254 WeakPolarHBondContact CD1-OE2 3.45Å; L251-E254 PolarHBondContact O-N 3.17Å; L251-N256 PolarHBondContact N-OD1 3.42Å; L251-N256 VanDerWaalsContact N-OD1 3.08Å; L251-N256 PolarHBondContact O-ND2 2.83Å
252	E	58.6	Low	76	Confident	205 Å²	205	60.5 Å²	60.5	96%	0.958	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	131.8	-179.8	-160.7	173.8	-160.4	0	0	109.9	E254	E252-E254 PolarHBondContact O-N 3.29Å
253	G	53.1	Low	75.6	Confident	87 Å²	87	65.2 Å²	65.2	90%	0.897	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	-7.3	-175.1	0	0	0	0	0	116.3
254	E	64.9	Low	75.2	Confident	110 Å²	110	66 Å²	66	51%	0.514	37%	0.366	S	S	.	.	S	Bend	trans	-92.2	167.6	172.5	-75.2	-162.5	-174.3	0	0	113.1	L251 E252 N256 R264	L251-E254 HydrophobicContact CB-CB 3.94Å; L251-E254 HydrophobicContact CB-CG 4.02Å; L251-E254 WeakPolarHBondContact CD1-OE2 3.45Å; L251-E254 PolarHBondContact O-N 3.17Å; E252-E254 PolarHBondContact O-N 3.29Å; E254-N256 PolarHBondContact O-N 3.49Å; E254-R264 IonicContact OE2-CZ 3.05Å; E254-R264 IonicContact OE2-NE 3.89Å; E254-R264 IonicContact OE2-NH2 3.77Å; E254-R264 PolarHBondContact OE2-NH2 3.07Å
255	R	57.6	Low	75.1	Confident	202 Å²	202	64.9 Å²	64.9	76%	0.762	36%	0.359	S	S	*	.			trans	-68.8	125.4	162.8	-63.7	-177	-172.5	177.1	3.7	109.1	E260 R264	R255-E260 VanDerWaalsContact CB-OE2 3.26Å; R255-E260 WeakPolarHBondContact CB-OE2 3.19Å; R255-R264 PolarHBondContact O-NH2 3.31Å
256	N	68.8	Low	75.2	Confident	68 Å²	68	65 Å²	65	36%	0.364	35%	0.35	S	S	.	.			trans	-110.8	48.6	173.9	-67.6	-46.7	0	0	0	109.9	L251 E254 V261 R264	L251-N256 PolarHBondContact N-OD1 3.42Å; L251-N256 VanDerWaalsContact N-OD1 3.08Å; L251-N256 PolarHBondContact O-ND2 2.83Å; E254-N256 PolarHBondContact O-N 3.49Å; N256-V261 HydrophobicContact CB-CG2 4.2Å; N256-R264 PolarHBondContact OD1-NH1 3.48Å
257	S	69.9	Low	75.3	Confident	56 Å²	56	72.1 Å²	72.1	39%	0.392	37%	0.366	S	S	.	.			trans	-66.2	154.6	172.8	73.5	0	0	0	0	110.5	S259 E260 V261	S257-S259 PolarHBondContact O-N 2.96Å; S257-E260 WeakPolarHBondContact CB-OE2 3.2Å; S257-E260 PolarHBondContact N-OE2 3.26Å; S257-E260 PolarHBondContact O-N 3.09Å; S257-E260 PolarHBondContact OG-N 3.08Å; S257-E260 PolarHBondContact OG-OE2 3.31Å; S257-V261 PolarHBondContact O-N 3.22Å
258	Q	67.4	Low	75.4	Confident	139 Å²	139	74.6 Å²	74.6	65%	0.65	38%	0.383	S	S	*	.	H	α-helix	trans	-53.3	-32.8	177.4	-66.8	-177.1	-18.9	0	0	112.7	I212 S262	I212-Q258 HydrophobicContact CD1-CB 4.05Å; I212-Q258 WeakPolarHBondContact CD1-O 3.5Å; I212-Q258 HydrophobicContact CG2-CG 4.33Å; Q258-S262 WeakPolarHBondContact O-CB 3.44Å; Q258-S262 PolarHBondContact O-N 2.88Å
259	S	73.3	Confident	75.4	Confident	64 Å²	64	80.2 Å²	80.2	45%	0.448	41%	0.413	S	S	.	.	H	α-helix	trans	-69.4	-34.9	176.2	-168.6	0	0	0	0	113.1	S257 K263	S257-S259 PolarHBondContact O-N 2.96Å; S259-K263 VanDerWaalsContact O-CD 3.22Å; S259-K263 WeakPolarHBondContact O-CD 3.42Å; S259-K263 WeakPolarHBondContact O-CE 3.38Å; S259-K263 WeakPolarHBondContact O-CG 3.46Å; S259-K263 PolarHBondContact O-N 2.97Å; S259-K263 WeakPolarHBondContact OG-CE 3.22Å; S259-K263 PolarHBondContact OG-NZ 3.27Å; S259-K263 VanDerWaalsContact OG-NZ 3.11Å
260	E	79.4	Confident	75.4	Confident	58 Å²	58	80.7 Å²	80.7	27%	0.271	42%	0.416	S	S	.	.	H	α-helix	trans	-76.6	-49.6	179.9	-72.6	150.7	156.8	0	0	110.8	R255 S257 S262 K263 R264	R255-E260 VanDerWaalsContact CB-OE2 3.26Å; R255-E260 WeakPolarHBondContact CB-OE2 3.19Å; S257-E260 WeakPolarHBondContact CB-OE2 3.2Å; S257-E260 PolarHBondContact N-OE2 3.26Å; S257-E260 PolarHBondContact O-N 3.09Å; S257-E260 PolarHBondContact OG-N 3.08Å; S257-E260 PolarHBondContact OG-OE2 3.31Å; E260-S262 VanDerWaalsContact C-N 3.32Å; E260-S262 PolarHBondContact O-N 3.14Å; E260-K263 WeakPolarHBondContact O-CB 3.46Å; E260-K263 PolarHBondContact O-N 2.71Å; E260-R264 WeakPolarHBondContact O-CG 3.24Å; E260-R264 PolarHBondContact O-N 3.16Å
261	V	79.6	Confident	75.8	Confident	2 Å²	2	82.3 Å²	82.3	1%	0.012	43%	0.427	C	S	.	.	H	α-helix	trans	-58.6	-44.6	176	178.4	0	0	0	0	110.8	I212 E213 F249 N256 S257 K263 R264 I265	I212-V261 HydrophobicContact CG2-CB 4.2Å; I212-V261 HydrophobicContact CG2-CG1 3.97Å; E213-V261 HydrophobicContact CG-CG1 3.85Å; F249-V261 HydrophobicContact CB-CG1 4.38Å; N256-V261 HydrophobicContact CB-CG2 4.2Å; S257-V261 PolarHBondContact O-N 3.22Å; V261-K263 PolarHBondContact O-N 3.12Å; V261-R264 PolarHBondContact O-N 2.94Å; V261-R264 VanDerWaalsContact O-N 3.14Å; V261-I265 HydrophobicContact CG1-CD1 3.86Å; V261-I265 HydrophobicContact CG1-CG1 4.43Å; V261-I265 WeakPolarHBondContact O-CG1 3.4Å; V261-I265 PolarHBondContact O-N 3.49Å
262	S	79.8	Confident	76.7	Confident	25 Å²	25	80.9 Å²	80.9	18%	0.175	42%	0.418	C	S	.	.	H	α-helix	trans	-53.2	-48.2	171.4	172	0	0	0	0	112.5	I220 Q258 E260 R264 L266	I220-S262 WeakPolarHBondContact CG2-OG 3.45Å; Q258-S262 WeakPolarHBondContact O-CB 3.44Å; Q258-S262 PolarHBondContact O-N 2.88Å; E260-S262 VanDerWaalsContact C-N 3.32Å; E260-S262 PolarHBondContact O-N 3.14Å; S262-R264 PolarHBondContact O-N 3.45Å; S262-L266 WeakPolarHBondContact O-CB 3.48Å; S262-L266 VanDerWaalsContact O-CG 3.22Å; S262-L266 WeakPolarHBondContact O-CG 3.45Å; S262-L266 PolarHBondContact O-N 3.31Å; S262-L266 VanDerWaalsContact O-N 3.07Å
263	K	83.9	Confident	78	Confident	99 Å²	99	73.5 Å²	73.5	43%	0.43	39%	0.388	S	S	.	.	H	α-helix	trans	-63.8	-40	177.5	-71.9	159.8	-166.2	159.4	0	111.8	S259 E260 V261 L266 R267	S259-K263 VanDerWaalsContact O-CD 3.22Å; S259-K263 WeakPolarHBondContact O-CD 3.42Å; S259-K263 WeakPolarHBondContact O-CE 3.38Å; S259-K263 WeakPolarHBondContact O-CG 3.46Å; S259-K263 PolarHBondContact O-N 2.97Å; S259-K263 WeakPolarHBondContact OG-CE 3.22Å; S259-K263 PolarHBondContact OG-NZ 3.27Å; S259-K263 VanDerWaalsContact OG-NZ 3.11Å; E260-K263 WeakPolarHBondContact O-CB 3.46Å; E260-K263 PolarHBondContact O-N 2.71Å; V261-K263 PolarHBondContact O-N 3.12Å; K263-L266 PolarHBondContact O-N 3.01Å; K263-R267 VanDerWaalsContact O-CB 3.26Å; K263-R267 WeakPolarHBondContact O-CB 3.29Å; K263-R267 WeakPolarHBondContact O-CG 3.12Å; K263-R267 PolarHBondContact O-N 2.87Å
264	R	85.4	Confident	79.7	Confident	27 Å²	27	75.6 Å²	75.6	10%	0.102	39%	0.389	C	S	.	.	H	α-helix	trans	-63.7	-51.9	178.1	-65.8	-171.8	-158.8	115	-2.1	110.5	F249 E254 R255 N256 E260 V261 S262 L266 R267 C268	F249-R264 HydrophobicContact CB-CB 4.27Å; F249-R264 HydrophobicContact CD1-CB 4.12Å; F249-R264 WeakPolarHBondContact O-CD 3.43Å; F249-R264 PolarHBondContact O-NH1 2.94Å; F249-R264 VanDerWaalsContact O-NH1 3.12Å; E254-R264 IonicContact OE2-CZ 3.05Å; E254-R264 IonicContact OE2-NE 3.89Å; E254-R264 IonicContact OE2-NH2 3.77Å; E254-R264 PolarHBondContact OE2-NH2 3.07Å; R255-R264 PolarHBondContact O-NH2 3.31Å; N256-R264 PolarHBondContact OD1-NH1 3.48Å; E260-R264 WeakPolarHBondContact O-CG 3.24Å; E260-R264 PolarHBondContact O-N 3.16Å; V261-R264 PolarHBondContact O-N 2.94Å; V261-R264 VanDerWaalsContact O-N 3.14Å; S262-R264 PolarHBondContact O-N 3.45Å; R264-L266 VanDerWaalsContact C-N 3.26Å; R264-L266 PolarHBondContact O-N 3.18Å; R264-R267 PolarHBondContact O-N 3.45Å; R264-R267 VanDerWaalsContact O-N 3.12Å; R264-C268 HydrophobicContact CB-CB 4.41Å; R264-C268 WeakPolarHBondContact O-CA 3.5Å; R264-C268 WeakPolarHBondContact O-CB 3.45Å; R264-C268 PolarHBondContact O-N 2.68Å
265	I	86.4	Confident	80.8	Confident	0 Å²	0	75 Å²	75	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-53.5	-42.3	175.2	-67.7	165.8	0	0	0	112	I212 P217 I220 W233 F249 V261 K290	I212-I265 WeakPolarHBondContact O-CD1 3.48Å; P217-I265 HydrophobicContact CB-CG2 4.46Å; P217-I265 HydrophobicContact CG-CG2 3.81Å; I220-I265 HydrophobicContact CD1-CB 3.94Å; I220-I265 HydrophobicContact CD1-CD1 3.62Å; I220-I265 HydrophobicContact CD1-CG1 4.38Å; I220-I265 HydrophobicContact CD1-CG2 3.63Å; W233-I265 HydrophobicContact CH2-CG2 4.48Å; W233-I265 HydrophobicContact CZ2-CG2 3.87Å; F249-I265 HydrophobicContact CB-CG1 3.82Å; F249-I265 HydrophobicContact CD1-CG1 4.22Å; F249-I265 HydrophobicContact CD2-CD1 4.5Å; F249-I265 HydrophobicContact CD2-CG1 3.54Å; F249-I265 HydrophobicContact CE2-CG1 4.14Å; F249-I265 HydrophobicContact CG-CG1 3.58Å; V261-I265 HydrophobicContact CG1-CD1 3.86Å; V261-I265 HydrophobicContact CG1-CG1 4.43Å; V261-I265 WeakPolarHBondContact O-CG1 3.4Å; V261-I265 PolarHBondContact O-N 3.49Å; I265-K290 WeakPolarHBondContact O-CE 3.21Å
266	L	86.4	Confident	82.5	Confident	44 Å²	44	65.8 Å²	65.8	23%	0.23	35%	0.353	C	S	.	.	H	α-helix	trans	-75.9	-23.4	-177.9	-68.6	-176.1	0	0	0	114.9	P217 I220 R221 S262 K263 R264	P217-L266 HydrophobicContact CB-CD2 3.88Å; P217-L266 WeakPolarHBondContact O-CD2 3.46Å; I220-L266 HydrophobicContact CB-CD2 4.19Å; I220-L266 HydrophobicContact CG2-CD1 3.9Å; I220-L266 HydrophobicContact CG2-CD2 4.18Å; I220-L266 HydrophobicContact CG2-CG 4.02Å; R221-L266 HydrophobicContact CG-CD1 4.47Å; R221-L266 HydrophobicContact CG-CD2 3.76Å; S262-L266 WeakPolarHBondContact O-CB 3.48Å; S262-L266 VanDerWaalsContact O-CG 3.22Å; S262-L266 WeakPolarHBondContact O-CG 3.45Å; S262-L266 PolarHBondContact O-N 3.31Å; S262-L266 VanDerWaalsContact O-N 3.07Å; K263-L266 PolarHBondContact O-N 3.01Å; R264-L266 VanDerWaalsContact C-N 3.26Å; R264-L266 PolarHBondContact O-N 3.18Å
267	R	85.8	Confident	83.7	Confident	198 Å²	198	63.3 Å²	63.3	75%	0.747	34%	0.344	S	S	*	.	H	α-helix	trans	-125.6	-49	-167	-61.3	-179.7	176.9	-169.1	-2.4	113.8	K263 R264 K290	K263-R267 VanDerWaalsContact O-CB 3.26Å; K263-R267 WeakPolarHBondContact O-CB 3.29Å; K263-R267 WeakPolarHBondContact O-CG 3.12Å; K263-R267 PolarHBondContact O-N 2.87Å; R264-R267 PolarHBondContact O-N 3.45Å; R264-R267 VanDerWaalsContact O-N 3.12Å; R267-K290 PolarHBondContact O-NZ 2.87Å
268	C	86.4	Confident	84.9	Confident	64 Å²	64	66 Å²	66	43%	0.432	36%	0.36	S	S	.	.	S	Bend	trans	-76.5	146.5	-178.1	-58.2	0	0	0	0	110.7	R264 K290	R264-C268 HydrophobicContact CB-CB 4.41Å; R264-C268 WeakPolarHBondContact O-CA 3.5Å; R264-C268 WeakPolarHBondContact O-CB 3.45Å; R264-C268 PolarHBondContact O-N 2.68Å; C268-K290 WeakPolarHBondContact O-CE 3.35Å; C268-K290 PolarHBondContact O-NZ 3.2Å
269	D	85.4	Confident	86.3	Confident	124 Å²	124	62.2 Å²	62.2	66%	0.663	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-87	149.5	167.2	-64.2	-35.8	0	0	0	109	K290	D269-K290 IonicContact OD1-NZ 3.65Å; D269-K290 PolarHBondContact OD1-NZ 3.32Å
270	P	84.7	Confident	87.4	Confident	14 Å²	14	59.2 Å²	59.2	9%	0.091	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-61.2	134.3	-177.5	23.7	-33.6	0	0	0	110.9	P248 F249 F272 L288	P248-P270 HydrophobicContact CB-CB 4.12Å; F249-P270 HydrophobicContact CZ-CB 4.19Å; P270-F272 HydrophobicContact CB-CE2 4.5Å; P270-F272 HydrophobicContact CB-CZ 4.26Å; P270-F272 HydrophobicContact CG-CE1 4.42Å; P270-F272 HydrophobicContact CG-CE2 3.83Å; P270-F272 HydrophobicContact CG-CZ 3.63Å; P270-F272 VanDerWaalsContact O-CD2 3.31Å; P270-F272 WeakPolarHBondContact O-CD2 3.37Å; P270-F272 WeakPolarHBondContact O-CE2 3.44Å; P270-L288 HydrophobicContact CB-CD1 3.98Å; P270-L288 HydrophobicContact CG-CB 4.2Å; P270-L288 HydrophobicContact CG-CD1 3.84Å
271	P	85.6	Confident	88.2	Confident	70 Å²	70	58.7 Å²	58.7	46%	0.455	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-67.9	137.5	174.2	30.3	-32.8	0	0	0	108.5	F240 P248 P273	F240-P271 WeakPolarHBondContact CE2-O 3.35Å; F240-P271 HydrophobicContact CZ-CG 4.49Å; F240-P271 VanDerWaalsContact CZ-O 3.23Å; F240-P271 WeakPolarHBondContact CZ-O 3.46Å; P248-P271 WeakPolarHBondContact O-CD 3.3Å; P271-P273 WeakPolarHBondContact O-CD 3.36Å
272	F	87.7	Confident	89	Confident	42 Å²	42	61.3 Å²	61.3	18%	0.184	34%	0.336	C	S	.	.			trans	-120.5	93.2	179.1	-69.8	-68.9	0	0	0	110.8	F240 P270 I276 K281 L284 R285	F240-F272 HydrophobicContact CE2-CD1 4.33Å; P270-F272 HydrophobicContact CB-CE2 4.5Å; P270-F272 HydrophobicContact CB-CZ 4.26Å; P270-F272 HydrophobicContact CG-CE1 4.42Å; P270-F272 HydrophobicContact CG-CE2 3.83Å; P270-F272 HydrophobicContact CG-CZ 3.63Å; P270-F272 VanDerWaalsContact O-CD2 3.31Å; P270-F272 WeakPolarHBondContact O-CD2 3.37Å; P270-F272 WeakPolarHBondContact O-CE2 3.44Å; F272-I276 HydrophobicContact CD1-CD1 4.22Å; F272-K281 HydrophobicContact CB-CD 3.86Å; F272-K281 HydrophobicContact CB-CG 4.16Å; F272-K281 VanDerWaalsContact CB-NZ 3.29Å; F272-K281 HydrophobicContact CD1-CG 3.99Å; F272-K281 HydrophobicContact CD2-CG 4.43Å; F272-K281 HydrophobicContact CE1-CG 4.5Å; F272-K281 HydrophobicContact CG-CD 4.21Å; F272-K281 HydrophobicContact CG-CG 3.95Å; F272-K281 PolarHBondContact O-NZ 3.45Å; F272-L284 HydrophobicContact CD1-CD1 4.47Å; F272-L284 HydrophobicContact CE1-CB 3.63Å; F272-L284 HydrophobicContact CE1-CD1 4.08Å; F272-L284 HydrophobicContact CE1-CG 4.5Å; F272-L284 HydrophobicContact CZ-CB 4.18Å; F272-R285 HydrophobicContact CE2-CG 3.59Å; F272-R285 HydrophobicContact CZ-CG 3.62Å
273	P	86.9	Confident	89.9	Confident	50 Å²	50	60.1 Å²	60.1	33%	0.325	33%	0.328	S	S	.	.			trans	-53.3	160.6	176.8	-26.3	35	0	0	0	113.4	T244 P271 M275 I276	T244-P273 HydrophobicContact CG2-CG 4.36Å; P271-P273 WeakPolarHBondContact O-CD 3.36Å; P273-M275 HydrophobicContact CB-CG 4.11Å; P273-M275 HydrophobicContact CB-SD 4.22Å; P273-M275 PolarHBondContact O-N 3.06Å; P273-I276 PolarHBondContact O-N 3.4Å
274	S	87.6	Confident	90.5	Very high	131 Å²	131	55.4 Å²	55.4	92%	0.916	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.6	178.2	45.6	0	0	0	0	113.9	I276	S274-I276 VanDerWaalsContact C-N 3.28Å; S274-I276 PolarHBondContact O-N 2.83Å
275	M	88.5	Confident	91	Very high	98 Å²	98	60.7 Å²	60.7	48%	0.483	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.6	176.5	74.9	-154.6	-69.8	0	0	113.5	T244 P273 G277	T244-M275 HydrophobicContact CG2-SD 4.27Å; P273-M275 HydrophobicContact CB-CG 4.11Å; P273-M275 HydrophobicContact CB-SD 4.22Å; P273-M275 PolarHBondContact O-N 3.06Å; M275-G277 PolarHBondContact O-N 3.12Å
276	I	92.6	Very high	91.4	Very high	8 Å²	8	64.1 Å²	64.1	4%	0.041	34%	0.342	C	S	.	.	S	Bend	trans	-82.3	114.2	176.8	-53.7	179.7	0	0	0	108.5	F240 L243 T244 F272 P273 S274 A280 K281 L284	F240-I276 HydrophobicContact CD2-CD1 3.91Å; F240-I276 HydrophobicContact CE2-CD1 3.61Å; F240-I276 HydrophobicContact CZ-CD1 4.45Å; L243-I276 HydrophobicContact CD1-CG2 4.41Å; T244-I276 HydrophobicContact CG2-CD1 3.75Å; T244-I276 HydrophobicContact CG2-CG1 3.97Å; F272-I276 HydrophobicContact CD1-CD1 4.22Å; P273-I276 PolarHBondContact O-N 3.4Å; S274-I276 VanDerWaalsContact C-N 3.28Å; S274-I276 PolarHBondContact O-N 2.83Å; I276-A280 HydrophobicContact CG2-CB 3.84Å; I276-K281 HydrophobicContact CG2-CB 3.91Å; I276-L284 HydrophobicContact CD1-CD1 4.12Å; I276-L284 HydrophobicContact CG2-CD1 4.05Å
277	G	94.2	Very high	91.9	Very high	17 Å²	17	62 Å²	62	18%	0.175	33%	0.331	C	S	.	.			trans	-62	158.1	178.6	0	0	0	0	0	112.9	E146 M275 V279 A280 K281	E146-G277 WeakPolarHBondContact OE1-CA 3.38Å; E146-G277 PolarHBondContact OE1-N 3.03Å; M275-G277 PolarHBondContact O-N 3.12Å; G277-V279 PolarHBondContact O-N 2.85Å; G277-V279 VanDerWaalsContact O-N 3.13Å; G277-A280 PolarHBondContact O-N 3.07Å; G277-K281 VanDerWaalsContact O-CB 3.23Å; G277-K281 WeakPolarHBondContact O-CB 3.29Å; G277-K281 PolarHBondContact O-N 2.65Å
278	P	95.8	Very high	92.3	Very high	112 Å²	112	53.1 Å²	53.1	73%	0.727	30%	0.298	S	S	*	.	H	α-helix	trans	-61.1	-30.4	-170.7	23.5	-33.7	0	0	0	113.2	D282	P278-D282 WeakPolarHBondContact O-CB 3.38Å; P278-D282 PolarHBondContact O-N 2.71Å; P278-D282 VanDerWaalsContact O-N 3.08Å
279	V	96.8	Very high	92.7	Very high	60 Å²	60	51.9 Å²	51.9	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-78.8	-42.5	-179	-173.7	0	0	0	0	111.9	G277 D282 L283 P310 F311	G277-V279 PolarHBondContact O-N 2.85Å; G277-V279 VanDerWaalsContact O-N 3.13Å; V279-D282 PolarHBondContact O-N 2.94Å; V279-L283 PolarHBondContact O-N 3.36Å; V279-L283 VanDerWaalsContact O-N 3.14Å; V279-P310 HydrophobicContact CG1-CB 4.04Å; V279-F311 HydrophobicContact CG1-CB 3.98Å; V279-F311 HydrophobicContact CG1-CD2 4.47Å
280	A	96.3	Very high	92.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-42.8	172.7	0	0	0	0	0	111.3	E146 M239 L243 I276 G277 D282 L283 L284 F311	E146-A280 HydrophobicContact CG-CB 4.3Å; E146-A280 WeakPolarHBondContact OE1-CB 3.45Å; M239-A280 HydrophobicContact CE-CB 3.92Å; L243-A280 HydrophobicContact CD1-CB 4.06Å; I276-A280 HydrophobicContact CG2-CB 3.84Å; G277-A280 PolarHBondContact O-N 3.07Å; A280-D282 VanDerWaalsContact C-N 3.32Å; A280-D282 PolarHBondContact O-N 3.47Å; A280-L283 PolarHBondContact O-N 3.29Å; A280-L284 WeakPolarHBondContact O-CG 3.4Å; A280-L284 PolarHBondContact O-N 3.15Å; A280-F311 HydrophobicContact CB-CD2 3.95Å; A280-F311 HydrophobicContact CB-CE2 3.71Å
281	K	96.4	Very high	93.1	Very high	47 Å²	47	49.7 Å²	49.7	20%	0.204	27%	0.274	C	S	.	.	H	α-helix	trans	-60.8	-36.6	175.5	-172.7	162.4	-179.6	153.8	0	112.9	F272 I276 G277 R285	F272-K281 HydrophobicContact CB-CD 3.86Å; F272-K281 HydrophobicContact CB-CG 4.16Å; F272-K281 VanDerWaalsContact CB-NZ 3.29Å; F272-K281 HydrophobicContact CD1-CG 3.99Å; F272-K281 HydrophobicContact CD2-CG 4.43Å; F272-K281 HydrophobicContact CE1-CG 4.5Å; F272-K281 HydrophobicContact CG-CD 4.21Å; F272-K281 HydrophobicContact CG-CG 3.95Å; F272-K281 PolarHBondContact O-NZ 3.45Å; I276-K281 HydrophobicContact CG2-CB 3.91Å; G277-K281 VanDerWaalsContact O-CB 3.23Å; G277-K281 WeakPolarHBondContact O-CB 3.29Å; G277-K281 PolarHBondContact O-N 2.65Å; K281-R285 WeakPolarHBondContact O-CB 3.47Å; K281-R285 WeakPolarHBondContact O-CD 3.29Å; K281-R285 WeakPolarHBondContact O-CG 3.47Å; K281-R285 PolarHBondContact O-N 2.95Å; K281-R285 VanDerWaalsContact O-N 3.09Å
282	D	97.1	Very high	93.3	Very high	58 Å²	58	47.6 Å²	47.6	31%	0.31	26%	0.26	S	S	.	.	H	α-helix	trans	-68.3	-40.8	174.1	-173.4	46.3	0	0	0	112.2	P278 V279 A280 K286 H309	P278-D282 WeakPolarHBondContact O-CB 3.38Å; P278-D282 PolarHBondContact O-N 2.71Å; P278-D282 VanDerWaalsContact O-N 3.08Å; V279-D282 PolarHBondContact O-N 2.94Å; A280-D282 VanDerWaalsContact C-N 3.32Å; A280-D282 PolarHBondContact O-N 3.47Å; D282-K286 VanDerWaalsContact CG-NZ 3.25Å; D282-K286 WeakPolarHBondContact O-CG 3.42Å; D282-K286 PolarHBondContact O-N 3.08Å; D282-K286 WeakPolarHBondContact OD1-CE 3.05Å; D282-K286 IonicContact OD1-NZ 3.65Å; D282-K286 PolarHBondContact OD1-NZ 3.36Å; D282-K286 WeakPolarHBondContact OD2-CE 3.11Å; D282-K286 IonicContact OD2-NZ 2.65Å; D282-K286 PolarHBondContact OD2-NZ 2.79Å; D282-H309 IonicContact OD2-CE1 3.8Å; D282-H309 IonicContact OD2-NE2 2.65Å; D282-H309 PolarHBondContact OD2-NE2 3.2Å
283	L	97.4	Very high	93.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-50.5	174.2	-178.9	51.1	0	0	0	111.4	M239 V279 A280 R285 K286 L287 L296 I306 H309 F311 F312	M239-L283 HydrophobicContact CE-CB 4.34Å; M239-L283 HydrophobicContact CE-CD2 3.96Å; M239-L283 HydrophobicContact CE-CG 4.38Å; M239-L283 HydrophobicContact SD-CD2 3.71Å; M239-L283 HydrophobicContact SD-CG 4Å; V279-L283 PolarHBondContact O-N 3.36Å; V279-L283 VanDerWaalsContact O-N 3.14Å; A280-L283 PolarHBondContact O-N 3.29Å; L283-R285 VanDerWaalsContact C-N 3.32Å; L283-R285 PolarHBondContact O-N 2.82Å; L283-K286 PolarHBondContact O-N 3Å; L283-L287 HydrophobicContact CD1-CD1 3.91Å; L283-L287 HydrophobicContact CD1-CG 4.01Å; L283-L287 HydrophobicContact CG-CD1 3.88Å; L283-L287 HydrophobicContact CG-CG 4.41Å; L283-L287 PolarHBondContact O-N 3.3Å; L283-L296 HydrophobicContact CD1-CD2 3.57Å; L283-I306 HydrophobicContact CD1-CG2 4.39Å; L283-H309 HydrophobicContact CD1-CB 4.17Å; L283-H309 PolarHBondContact N-CE1 3.4Å; L283-F311 HydrophobicContact CB-CB 4.4Å; L283-F311 HydrophobicContact CD2-CB 3.87Å; L283-F311 HydrophobicContact CD2-CD1 3.54Å; L283-F311 HydrophobicContact CD2-CE1 4.36Å; L283-F311 HydrophobicContact CD2-CG 3.9Å; L283-F312 HydrophobicContact CD2-CE2 3.59Å; L283-F312 HydrophobicContact CD2-CZ 3.79Å
284	L	96.9	Very high	93.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.3	-41.6	179.8	-73	166.2	0	0	0	112.2	G236 M239 F240 L243 F272 I276 A280 K286 L287 L288	G236-L284 WeakPolarHBondContact O-CD2 3.43Å; M239-L284 HydrophobicContact CB-CD2 3.82Å; M239-L284 HydrophobicContact CE-CG 4.16Å; M239-L284 HydrophobicContact CG-CD2 3.78Å; M239-L284 HydrophobicContact CG-CG 4.36Å; M239-L284 HydrophobicContact SD-CD2 3.87Å; M239-L284 HydrophobicContact SD-CG 4.04Å; F240-L284 HydrophobicContact CB-CD2 4.09Å; F240-L284 HydrophobicContact CD2-CD1 4.21Å; L243-L284 HydrophobicContact CD1-CD1 4.12Å; F272-L284 HydrophobicContact CD1-CD1 4.47Å; F272-L284 HydrophobicContact CE1-CB 3.63Å; F272-L284 HydrophobicContact CE1-CD1 4.08Å; F272-L284 HydrophobicContact CE1-CG 4.5Å; F272-L284 HydrophobicContact CZ-CB 4.18Å; I276-L284 HydrophobicContact CD1-CD1 4.12Å; I276-L284 HydrophobicContact CG2-CD1 4.05Å; A280-L284 WeakPolarHBondContact O-CG 3.4Å; A280-L284 PolarHBondContact O-N 3.15Å; L284-K286 PolarHBondContact O-N 2.79Å; L284-L287 PolarHBondContact O-N 3.41Å; L284-L288 VanDerWaalsContact O-CB 3.3Å; L284-L288 WeakPolarHBondContact O-CB 3.06Å; L284-L288 WeakPolarHBondContact O-CG 3.31Å; L284-L288 PolarHBondContact O-N 2.87Å
285	R	95.6	Very high	93.8	Very high	137 Å²	137	52.4 Å²	52.4	52%	0.517	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-32.7	174.7	-79.4	168.4	171.1	168.2	-8.4	113.4	F272 K281 L283 V289	F272-R285 HydrophobicContact CE2-CG 3.59Å; F272-R285 HydrophobicContact CZ-CG 3.62Å; K281-R285 WeakPolarHBondContact O-CB 3.47Å; K281-R285 WeakPolarHBondContact O-CD 3.29Å; K281-R285 WeakPolarHBondContact O-CG 3.47Å; K281-R285 PolarHBondContact O-N 2.95Å; K281-R285 VanDerWaalsContact O-N 3.09Å; L283-R285 VanDerWaalsContact C-N 3.32Å; L283-R285 PolarHBondContact O-N 2.82Å; R285-V289 VanDerWaalsContact O-CG2 3.26Å; R285-V289 WeakPolarHBondContact O-CG2 3.03Å
286	K	96.1	Very high	94	Very high	73 Å²	73	49.3 Å²	49.3	32%	0.317	25%	0.247	S	C	.	.	H	α-helix	trans	-85.7	-27.5	-179.4	-63.4	169.3	-173.6	163.5	0	112.9	D282 L283 L284 V289 L296 H309	D282-K286 VanDerWaalsContact CG-NZ 3.25Å; D282-K286 WeakPolarHBondContact O-CG 3.42Å; D282-K286 PolarHBondContact O-N 3.08Å; D282-K286 WeakPolarHBondContact OD1-CE 3.05Å; D282-K286 IonicContact OD1-NZ 3.65Å; D282-K286 PolarHBondContact OD1-NZ 3.36Å; D282-K286 WeakPolarHBondContact OD2-CE 3.11Å; D282-K286 IonicContact OD2-NZ 2.65Å; D282-K286 PolarHBondContact OD2-NZ 2.79Å; L283-K286 PolarHBondContact O-N 3Å; L284-K286 PolarHBondContact O-N 2.79Å; K286-V289 WeakPolarHBondContact O-CG2 3.16Å; K286-L296 HydrophobicContact CB-CB 3.92Å; K286-L296 HydrophobicContact CB-CD2 4.18Å; K286-L296 PolarHBondContact O-N 2.99Å; K286-H309 PolarHBondContact NZ-NE2 3.04Å
287	L	95.8	Very high	93.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-78.8	-39.9	171.8	-67.8	172.8	0	0	0	112.1	W232 L283 L284 V289 R295 L296 I306	W232-L287 HydrophobicContact CB-CD2 4.23Å; L283-L287 HydrophobicContact CD1-CD1 3.91Å; L283-L287 HydrophobicContact CD1-CG 4.01Å; L283-L287 HydrophobicContact CG-CD1 3.88Å; L283-L287 HydrophobicContact CG-CG 4.41Å; L283-L287 PolarHBondContact O-N 3.3Å; L284-L287 PolarHBondContact O-N 3.41Å; L287-V289 PolarHBondContact O-N 2.85Å; L287-V289 VanDerWaalsContact O-N 3.12Å; L287-R295 WeakPolarHBondContact O-CD 3.49Å; L287-R295 WeakPolarHBondContact O-CG 3.39Å; L287-R295 PolarHBondContact O-NE 2.96Å; L287-L296 HydrophobicContact CD2-CB 4.21Å; L287-I306 HydrophobicContact CD2-CD1 4.06Å; L287-I306 HydrophobicContact CD2-CG1 4.35Å
288	L	94.6	Very high	93.4	Very high	10 Å²	10	50.4 Å²	50.4	5%	0.052	25%	0.253	C	S	.	.	S	Bend	trans	-87	33.5	-178.6	-59.8	179.1	0	0	0	113.4	W233 I237 P270 L284	W233-L288 HydrophobicContact CD2-CD2 4.05Å; W233-L288 HydrophobicContact CE3-CD2 4.21Å; W233-L288 HydrophobicContact CH2-CB 4.47Å; W233-L288 HydrophobicContact CH2-CD2 4.44Å; W233-L288 HydrophobicContact CZ2-CD2 4.27Å; W233-L288 HydrophobicContact CZ3-CB 4.23Å; W233-L288 HydrophobicContact CZ3-CD2 4.42Å; W233-L288 VanDerWaalsContact CZ3-O 3.3Å; W233-L288 WeakPolarHBondContact CZ3-O 3.41Å; I237-L288 HydrophobicContact CD1-CD2 3.59Å; I237-L288 HydrophobicContact CG1-CD2 4.01Å; P270-L288 HydrophobicContact CB-CD1 3.98Å; P270-L288 HydrophobicContact CG-CB 4.2Å; P270-L288 HydrophobicContact CG-CD1 3.84Å; L284-L288 VanDerWaalsContact O-CB 3.3Å; L284-L288 WeakPolarHBondContact O-CB 3.06Å; L284-L288 WeakPolarHBondContact O-CG 3.31Å; L284-L288 PolarHBondContact O-N 2.87Å
289	V	94.1	Very high	92.7	Very high	38 Å²	38	46.5 Å²	46.5	23%	0.23	23%	0.234	C	C	.	.			trans	-77.9	124	173.3	-179.8	0	0	0	0	109.8	R285 K286 L287 D291 K294 R295	R285-V289 VanDerWaalsContact O-CG2 3.26Å; R285-V289 WeakPolarHBondContact O-CG2 3.03Å; K286-V289 WeakPolarHBondContact O-CG2 3.16Å; L287-V289 PolarHBondContact O-N 2.85Å; L287-V289 VanDerWaalsContact O-N 3.12Å; V289-D291 HydrophobicContact CG1-CB 4.21Å; V289-D291 PolarHBondContact O-N 2.96Å; V289-K294 HydrophobicContact CG1-CB 3.98Å; V289-R295 HydrophobicContact CB-CB 4.3Å; V289-R295 HydrophobicContact CB-CG 4.47Å; V289-R295 PolarHBondContact O-NE 2.75Å; V289-R295 PolarHBondContact O-NH2 2.96Å
290	K	91	Very high	91.9	Very high	41 Å²	41	50.7 Å²	50.7	18%	0.178	26%	0.262	C	S	.	.	S	Bend	trans	-69.8	-12.5	-178.1	-68.2	169.9	179.8	150.8	0	115.1	P217 R221 W233 I265 R267 C268 D269	P217-K290 HydrophobicContact CG-CB 4.27Å; P217-K290 HydrophobicContact CG-CG 4.06Å; R221-K290 PolarHBondContact NH1-O 3.06Å; W233-K290 HydrophobicContact CH2-CG 4.35Å; W233-K290 HydrophobicContact CZ3-CG 4.32Å; I265-K290 WeakPolarHBondContact O-CE 3.21Å; R267-K290 PolarHBondContact O-NZ 2.87Å; C268-K290 WeakPolarHBondContact O-CE 3.35Å; C268-K290 PolarHBondContact O-NZ 3.2Å; D269-K290 IonicContact OD1-NZ 3.65Å; D269-K290 PolarHBondContact OD1-NZ 3.32Å
291	D	89	Confident	91.2	Very high	52 Å²	52	58.7 Å²	58.7	28%	0.278	29%	0.292	S	S	.	.	S	Bend	trans	-100.6	110.7	173.4	-179.8	-13.4	0	0	0	108.4	V289 H293 K294 R295	V289-D291 HydrophobicContact CG1-CB 4.21Å; V289-D291 PolarHBondContact O-N 2.96Å; D291-H293 PolarHBondContact O-N 3.05Å; D291-H293 VanDerWaalsContact O-N 3.16Å; D291-H293 IonicContact OD1-CD2 2.75Å; D291-H293 PolarHBondContact OD1-N 3.37Å; D291-H293 VanDerWaalsContact OD1-N 3.11Å; D291-K294 HydrophobicContact CB-CB 4.32Å; D291-K294 HydrophobicContact CB-CD 4.38Å; D291-K294 HydrophobicContact CB-CG 4.43Å; D291-K294 PolarHBondContact O-N 2.81Å; D291-K294 VanDerWaalsContact O-N 3.15Å; D291-K294 WeakPolarHBondContact OD2-CD 3.43Å; D291-K294 WeakPolarHBondContact OD2-CE 3.21Å; D291-K294 IonicContact OD2-NZ 2.7Å; D291-K294 PolarHBondContact OD2-NZ 3Å; D291-R295 PolarHBondContact O-N 2.73Å
292	P	88.8	Confident	90.8	Very high	25 Å²	25	57.4 Å²	57.4	16%	0.162	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.1	-173.7	26.7	-35.2	0	0	0	114.3	S298	P292-S298 WeakPolarHBondContact O-CB 3.41Å; P292-S298 PolarHBondContact O-OG 3.34Å; P292-S298 VanDerWaalsContact O-OG 3.07Å
293	H	87.7	Confident	90.5	Very high	166 Å²	166	55 Å²	55	77%	0.769	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-15.2	178	-63	-71.8	0	0	0	113.2	D291 S298	D291-H293 PolarHBondContact O-N 3.05Å; D291-H293 VanDerWaalsContact O-N 3.16Å; D291-H293 IonicContact OD1-CD2 2.75Å; D291-H293 PolarHBondContact OD1-N 3.37Å; D291-H293 VanDerWaalsContact OD1-N 3.11Å; H293-S298 PolarHBondContact O-OG 3Å
294	K	90.6	Very high	90.3	Very high	154 Å²	154	59.2 Å²	59.2	67%	0.67	30%	0.3	S	S	*	.	S	Bend	trans	-105.4	3.6	177.1	-62.9	-178.3	-176.4	121.7	0	112.8	V289 D291	V289-K294 HydrophobicContact CG1-CB 3.98Å; D291-K294 HydrophobicContact CB-CB 4.32Å; D291-K294 HydrophobicContact CB-CD 4.38Å; D291-K294 HydrophobicContact CB-CG 4.43Å; D291-K294 PolarHBondContact O-N 2.81Å; D291-K294 VanDerWaalsContact O-N 3.15Å; D291-K294 WeakPolarHBondContact OD2-CD 3.43Å; D291-K294 WeakPolarHBondContact OD2-CE 3.21Å; D291-K294 IonicContact OD2-NZ 2.7Å; D291-K294 PolarHBondContact OD2-NZ 3Å
295	R	94.3	Very high	90.2	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.015	31%	0.308	C	S	.	.	S	Bend	trans	-79.2	141	-177.5	-167.5	176.7	-62.3	145.1	4.8	110	E218 S229 L287 V289 D291 G297 S298	E218-R295 IonicContact OE1-CZ 3.89Å; E218-R295 IonicContact OE1-NH1 3.69Å; E218-R295 PolarHBondContact OE1-NH1 2.93Å; E218-R295 IonicContact OE1-NH2 2.71Å; E218-R295 PolarHBondContact OE1-NH2 3.04Å; E218-R295 IonicContact OE2-CZ 3.74Å; E218-R295 IonicContact OE2-NH1 2.9Å; E218-R295 IonicContact OE2-NH2 2.67Å; E218-R295 PolarHBondContact OE2-NH2 3.15Å; S229-R295 WeakPolarHBondContact O-CD 3.33Å; S229-R295 PolarHBondContact O-NH1 2.95Å; L287-R295 WeakPolarHBondContact O-CD 3.49Å; L287-R295 WeakPolarHBondContact O-CG 3.39Å; L287-R295 PolarHBondContact O-NE 2.96Å; V289-R295 HydrophobicContact CB-CB 4.3Å; V289-R295 HydrophobicContact CB-CG 4.47Å; V289-R295 PolarHBondContact O-NE 2.75Å; V289-R295 PolarHBondContact O-NH2 2.96Å; D291-R295 PolarHBondContact O-N 2.73Å; R295-G297 PolarHBondContact O-N 2.76Å; R295-S298 WeakPolarHBondContact O-CB 3.4Å; R295-S298 PolarHBondContact O-N 3.42Å; R295-S298 VanDerWaalsContact O-N 3.07Å; R295-S298 PolarHBondContact O-OG 2.98Å
296	L	93.4	Very high	90.2	Very high	34 Å²	34	54.2 Å²	54.2	18%	0.178	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	135.2	174.9	-161.7	66.8	0	0	0	110	L283 K286 L287 S298 D305 I306	L283-L296 HydrophobicContact CD1-CD2 3.57Å; K286-L296 HydrophobicContact CB-CB 3.92Å; K286-L296 HydrophobicContact CB-CD2 4.18Å; K286-L296 PolarHBondContact O-N 2.99Å; L287-L296 HydrophobicContact CD2-CB 4.21Å; L296-S298 VanDerWaalsContact C-N 3.34Å; L296-D305 HydrophobicContact CD1-CB 4.02Å; L296-D305 HydrophobicContact CG-CB 4.47Å; L296-I306 HydrophobicContact CB-CG1 4.49Å; L296-I306 HydrophobicContact CD2-CB 4.44Å; L296-I306 HydrophobicContact CD2-CG1 4.14Å; L296-I306 HydrophobicContact CG-CG1 3.92Å
297	G	88.8	Confident	90.2	Very high	5 Å²	5	51.8 Å²	51.8	5%	0.052	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-1	-175.1	0	0	0	0	0	116	W232 R295 G302	W232-G297 VanDerWaalsContact CD1-C 3.44Å; W232-G297 VanDerWaalsContact CD1-O 3.29Å; W232-G297 PolarHBondContact NE1-O 3.09Å; R295-G297 PolarHBondContact O-N 2.76Å; G297-G302 WeakPolarHBondContact CA-O 3.4Å
298	S	84.2	Confident	90.1	Very high	42 Å²	42	55.3 Å²	55.3	29%	0.294	30%	0.302	S	S	.	.			trans	-85.9	-6.4	171	76.5	0	0	0	0	114.1	P292 H293 R295 L296	P292-S298 WeakPolarHBondContact O-CB 3.41Å; P292-S298 PolarHBondContact O-OG 3.34Å; P292-S298 VanDerWaalsContact O-OG 3.07Å; H293-S298 PolarHBondContact O-OG 3Å; R295-S298 WeakPolarHBondContact O-CB 3.4Å; R295-S298 PolarHBondContact O-N 3.42Å; R295-S298 VanDerWaalsContact O-N 3.07Å; R295-S298 PolarHBondContact O-OG 2.98Å; L296-S298 VanDerWaalsContact C-N 3.34Å
299	G	82.2	Confident	90.3	Very high	31 Å²	31	55.3 Å²	55.3	32%	0.32	30%	0.302	S	S	.	.	S	Bend	trans	-77.5	172.7	178.3	0	0	0	0	0	113.1	R301 G302	G299-R301 PolarHBondContact O-N 2.89Å; G299-R301 VanDerWaalsContact O-N 3.13Å; G299-G302 PolarHBondContact O-N 3.26Å
300	P	79.3	Confident	90.5	Very high	147 Å²	147	57.3 Å²	57.3	96%	0.955	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.6	-179.5	26.7	-35.4	0	0	0	113.9
301	R	81.6	Confident	90.8	Very high	168 Å²	168	55.5 Å²	55.5	63%	0.634	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.6	172.6	-56.4	-163.7	-58.5	-174.8	3.8	113.2	G299 A303 E304 D305	G299-R301 PolarHBondContact O-N 2.89Å; G299-R301 VanDerWaalsContact O-N 3.13Å; R301-A303 PolarHBondContact O-N 3.28Å; R301-E304 HydrophobicContact CB-CB 4.28Å; R301-E304 WeakPolarHBondContact O-CB 3.19Å; R301-E304 PolarHBondContact O-N 3.2Å; R301-E304 VanDerWaalsContact O-N 3.15Å; R301-D305 IonicContact CZ-OD1 3.41Å; R301-D305 IonicContact NE-OD1 3.8Å; R301-D305 PolarHBondContact NE-OD1 3Å; R301-D305 IonicContact NH2-OD1 3.78Å; R301-D305 PolarHBondContact NH2-OD1 3.38Å
302	G	87.8	Confident	91.2	Very high	20 Å²	20	53.2 Å²	53.2	21%	0.206	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	-128.7	175.2	0	0	0	0	0	112.9	G297 G299 E304 D305	G297-G302 WeakPolarHBondContact CA-O 3.4Å; G299-G302 PolarHBondContact O-N 3.26Å; G302-E304 PolarHBondContact O-N 3.49Å; G302-E304 VanDerWaalsContact O-N 3.1Å; G302-D305 PolarHBondContact O-N 3.4Å; G302-D305 VanDerWaalsContact O-N 3.12Å
303	A	92.1	Very high	91.4	Very high	7 Å²	7	60.7 Å²	60.7	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-54.8	-28.8	-179.5	0	0	0	0	0	114.1	I157 E161 W232 R301 D305 I306 K307	I157-A303 HydrophobicContact CG2-CB 4.28Å; E161-A303 HydrophobicContact CB-CB 3.73Å; E161-A303 HydrophobicContact CG-CB 3.71Å; W232-A303 HydrophobicContact CH2-CB 3.89Å; W232-A303 HydrophobicContact CZ2-CB 3.94Å; R301-A303 PolarHBondContact O-N 3.28Å; A303-D305 PolarHBondContact O-N 3.16Å; A303-I306 WeakPolarHBondContact O-CA 3.47Å; A303-I306 WeakPolarHBondContact O-CB 3.41Å; A303-I306 PolarHBondContact O-N 3.44Å; A303-K307 WeakPolarHBondContact O-CG 3.24Å; A303-K307 PolarHBondContact O-N 3.37Å
304	E	93.2	Very high	91.4	Very high	89 Å²	89	56.8 Å²	56.8	42%	0.416	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-29.8	179.7	-62.2	-58.5	135.9	0	0	112.8	R301 G302 I306 K307 A308	R301-E304 HydrophobicContact CB-CB 4.28Å; R301-E304 WeakPolarHBondContact O-CB 3.19Å; R301-E304 PolarHBondContact O-N 3.2Å; R301-E304 VanDerWaalsContact O-N 3.15Å; G302-E304 PolarHBondContact O-N 3.49Å; G302-E304 VanDerWaalsContact O-N 3.1Å; E304-I306 VanDerWaalsContact C-N 3.26Å; E304-I306 PolarHBondContact O-N 3.24Å; E304-K307 PolarHBondContact O-N 2.8Å; E304-K307 WeakPolarHBondContact OE1-CD 3.45Å; E304-K307 WeakPolarHBondContact OE1-CE 3.27Å; E304-K307 IonicContact OE1-NZ 3.93Å; E304-K307 PolarHBondContact OE1-NZ 3.23Å; E304-A308 VanDerWaalsContact O-CB 3.29Å; E304-A308 WeakPolarHBondContact O-CB 3.3Å; E304-A308 PolarHBondContact O-N 3Å
305	D	93.3	Very high	91.6	Very high	32 Å²	32	50.5 Å²	50.5	17%	0.171	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-32.3	172.6	-72.3	-36.6	0	0	0	112.1	L296 R301 G302 A303	L296-D305 HydrophobicContact CD1-CB 4.02Å; L296-D305 HydrophobicContact CG-CB 4.47Å; R301-D305 IonicContact CZ-OD1 3.41Å; R301-D305 IonicContact NE-OD1 3.8Å; R301-D305 PolarHBondContact NE-OD1 3Å; R301-D305 IonicContact NH2-OD1 3.78Å; R301-D305 PolarHBondContact NH2-OD1 3.38Å; G302-D305 PolarHBondContact O-N 3.4Å; G302-D305 VanDerWaalsContact O-N 3.12Å; A303-D305 PolarHBondContact O-N 3.16Å
306	I	95.8	Very high	91.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-78.7	-45.4	176.9	-53.5	173.1	0	0	0	109.6	I157 W232 L283 L287 L296 A303 E304 A308 H309 F312	I157-I306 HydrophobicContact CD1-CG2 3.53Å; I157-I306 HydrophobicContact CG1-CG2 4.28Å; W232-I306 HydrophobicContact CB-CD1 4.4Å; W232-I306 HydrophobicContact CD2-CD1 3.4Å; W232-I306 HydrophobicContact CE3-CD1 3.45Å; W232-I306 VanDerWaalsContact CE3-CD1 3.45Å; W232-I306 HydrophobicContact CG-CD1 3.84Å; W232-I306 HydrophobicContact CH2-CD1 4.23Å; W232-I306 HydrophobicContact CZ2-CD1 4.17Å; W232-I306 HydrophobicContact CZ3-CD1 3.88Å; L283-I306 HydrophobicContact CD1-CG2 4.39Å; L287-I306 HydrophobicContact CD2-CD1 4.06Å; L287-I306 HydrophobicContact CD2-CG1 4.35Å; L296-I306 HydrophobicContact CB-CG1 4.49Å; L296-I306 HydrophobicContact CD2-CB 4.44Å; L296-I306 HydrophobicContact CD2-CG1 4.14Å; L296-I306 HydrophobicContact CG-CG1 3.92Å; A303-I306 WeakPolarHBondContact O-CA 3.47Å; A303-I306 WeakPolarHBondContact O-CB 3.41Å; A303-I306 PolarHBondContact O-N 3.44Å; E304-I306 VanDerWaalsContact C-N 3.26Å; E304-I306 PolarHBondContact O-N 3.24Å; I306-A308 VanDerWaalsContact C-N 3.27Å; I306-A308 PolarHBondContact O-N 3.04Å; I306-H309 WeakPolarHBondContact O-CB 3.33Å; I306-H309 PolarHBondContact O-N 3.06Å; I306-F312 HydrophobicContact CG2-CE2 3.97Å; I306-F312 VanDerWaalsContact O-CD2 3.3Å; I306-F312 WeakPolarHBondContact O-CD2 3.48Å; I306-F312 WeakPolarHBondContact O-CE2 3.45Å
307	K	95.9	Very high	91.7	Very high	22 Å²	22	54.9 Å²	54.9	10%	0.096	32%	0.324	C	S	.	.	H	α-helix	trans	-60.2	-35	178.9	-67	-176.8	-172	167.3	0	113.4	I157 E161 A303 E304 H309 W317	I157-K307 HydrophobicContact CG2-CG 4.02Å; E161-K307 IonicContact OE1-NZ 2.74Å; E161-K307 PolarHBondContact OE1-NZ 3.37Å; E161-K307 WeakPolarHBondContact OE2-CE 3.34Å; E161-K307 IonicContact OE2-NZ 2.91Å; E161-K307 PolarHBondContact OE2-NZ 3.46Å; A303-K307 WeakPolarHBondContact O-CG 3.24Å; A303-K307 PolarHBondContact O-N 3.37Å; E304-K307 PolarHBondContact O-N 2.8Å; E304-K307 WeakPolarHBondContact OE1-CD 3.45Å; E304-K307 WeakPolarHBondContact OE1-CE 3.27Å; E304-K307 IonicContact OE1-NZ 3.93Å; E304-K307 PolarHBondContact OE1-NZ 3.23Å; K307-H309 PolarHBondContact O-N 3.16Å; K307-W317 VanDerWaalsContact CA-CZ2 3.47Å; K307-W317 HydrophobicContact CB-CD2 4.27Å; K307-W317 HydrophobicContact CB-CH2 4.22Å; K307-W317 HydrophobicContact CB-CZ2 3.6Å; K307-W317 HydrophobicContact CD-CD2 3.87Å; K307-W317 HydrophobicContact CD-CE3 4.04Å; K307-W317 HydrophobicContact CD-CG 4.25Å; K307-W317 HydrophobicContact CD-CZ2 4.49Å; K307-W317 HydrophobicContact CD-CZ3 4.42Å; K307-W317 HydrophobicContact CG-CD2 3.91Å; K307-W317 HydrophobicContact CG-CE3 4.01Å; K307-W317 HydrophobicContact CG-CH2 3.76Å; K307-W317 HydrophobicContact CG-CZ2 3.63Å; K307-W317 HydrophobicContact CG-CZ3 3.93Å
308	A	95.6	Very high	91.9	Very high	75 Å²	75	57.8 Å²	57.8	62%	0.62	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-3.5	176.8	0	0	0	0	0	113.9	E304 I306	E304-A308 VanDerWaalsContact O-CB 3.29Å; E304-A308 WeakPolarHBondContact O-CB 3.3Å; E304-A308 PolarHBondContact O-N 3Å; I306-A308 VanDerWaalsContact C-N 3.27Å; I306-A308 PolarHBondContact O-N 3.04Å
309	H	97.7	Very high	92.3	Very high	9 Å²	9	58.4 Å²	58.4	4%	0.042	34%	0.343	C	S	.	.	S	Bend	trans	-67.8	139.6	-178.5	-161.9	-95.2	0	0	0	111.9	D282 L283 K286 I306 K307 F311 F312	D282-H309 IonicContact OD2-CE1 3.8Å; D282-H309 IonicContact OD2-NE2 2.65Å; D282-H309 PolarHBondContact OD2-NE2 3.2Å; L283-H309 HydrophobicContact CD1-CB 4.17Å; L283-H309 PolarHBondContact N-CE1 3.4Å; K286-H309 PolarHBondContact NZ-NE2 3.04Å; I306-H309 WeakPolarHBondContact O-CB 3.33Å; I306-H309 PolarHBondContact O-N 3.06Å; K307-H309 PolarHBondContact O-N 3.16Å; H309-F311 PolarHBondContact ND1-N 2.9Å; H309-F311 PolarHBondContact O-N 3.5Å; H309-F312 HydrophobicContact CB-CD2 4.17Å; H309-F312 HydrophobicContact CB-CE2 4.44Å; H309-F312 PolarHBondContact O-N 3.32Å
310	P	97.5	Very high	92.8	Very high	80 Å²	80	56.9 Å²	56.9	52%	0.519	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-55.3	-18.6	-180	-29.2	36.1	0	0	0	115.9	V279 F312 K313	V279-P310 HydrophobicContact CG1-CB 4.04Å; P310-F312 VanDerWaalsContact C-N 3.27Å; P310-F312 PolarHBondContact O-N 3.11Å; P310-K313 VanDerWaalsContact O-CB 3.24Å; P310-K313 WeakPolarHBondContact O-CB 2.9Å; P310-K313 PolarHBondContact O-N 3.11Å
311	F	97.7	Very high	93.3	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.013	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-61.9	-32.6	174.4	-176.3	-109.6	0	0	0	113	E146 V149 R150 M239 V279 A280 L283 H309	E146-F311 HydrophobicContact CB-CE2 4.23Å; E146-F311 HydrophobicContact CG-CE2 4.39Å; V149-F311 HydrophobicContact CG1-CZ 4.35Å; R150-F311 HydrophobicContact CB-CE1 3.98Å; R150-F311 HydrophobicContact CB-CZ 4.08Å; R150-F311 WeakPolarHBondContact CD-O 3.49Å; R150-F311 HydrophobicContact CG-CE1 4.39Å; R150-F311 PolarHBondContact NE-O 2.81Å; M239-F311 HydrophobicContact CE-CD1 4.04Å; M239-F311 HydrophobicContact CE-CD2 4.32Å; M239-F311 HydrophobicContact CE-CE1 3.66Å; M239-F311 HydrophobicContact CE-CE2 3.99Å; M239-F311 HydrophobicContact CE-CG 4.35Å; M239-F311 HydrophobicContact CE-CZ 3.65Å; V279-F311 HydrophobicContact CG1-CB 3.98Å; V279-F311 HydrophobicContact CG1-CD2 4.47Å; A280-F311 HydrophobicContact CB-CD2 3.95Å; A280-F311 HydrophobicContact CB-CE2 3.71Å; L283-F311 HydrophobicContact CB-CB 4.4Å; L283-F311 HydrophobicContact CD2-CB 3.87Å; L283-F311 HydrophobicContact CD2-CD1 3.54Å; L283-F311 HydrophobicContact CD2-CE1 4.36Å; L283-F311 HydrophobicContact CD2-CG 3.9Å; H309-F311 PolarHBondContact ND1-N 2.9Å; H309-F311 PolarHBondContact O-N 3.5Å
312	F	97.4	Very high	93.7	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.022	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-96.1	10.7	177.7	-53.5	-76.5	0	0	0	113.1	R150 I153 I157 L283 I306 H309 P310 G314 L315 W317	R150-F312 HydrophobicContact CG-CD1 3.91Å; I153-F312 HydrophobicContact CB-CE1 4.48Å; I153-F312 HydrophobicContact CG2-CE1 4.14Å; I153-F312 HydrophobicContact CG2-CZ 3.84Å; I157-F312 HydrophobicContact CD1-CE1 4.05Å; I157-F312 HydrophobicContact CD1-CE2 3.94Å; I157-F312 HydrophobicContact CD1-CZ 3.43Å; I157-F312 VanDerWaalsContact CD1-CZ 3.43Å; L283-F312 HydrophobicContact CD2-CE2 3.59Å; L283-F312 HydrophobicContact CD2-CZ 3.79Å; I306-F312 HydrophobicContact CG2-CE2 3.97Å; I306-F312 VanDerWaalsContact O-CD2 3.3Å; I306-F312 WeakPolarHBondContact O-CD2 3.48Å; I306-F312 WeakPolarHBondContact O-CE2 3.45Å; H309-F312 HydrophobicContact CB-CD2 4.17Å; H309-F312 HydrophobicContact CB-CE2 4.44Å; H309-F312 PolarHBondContact O-N 3.32Å; P310-F312 VanDerWaalsContact C-N 3.27Å; P310-F312 PolarHBondContact O-N 3.11Å; F312-G314 PolarHBondContact O-N 3.22Å; F312-L315 HydrophobicContact CB-CB 4.48Å; F312-L315 HydrophobicContact CB-CD2 4.44Å; F312-L315 HydrophobicContact CD1-CD2 3.93Å; F312-L315 VanDerWaalsContact O-CB 3.31Å; F312-L315 WeakPolarHBondContact O-CB 3.43Å; F312-L315 PolarHBondContact O-N 3.13Å; F312-W317 HydrophobicContact CB-CH2 4.35Å; F312-W317 HydrophobicContact CB-CZ2 3.57Å; F312-W317 AromaticContact CD1-CH2 3.78Å; F312-W317 HydrophobicContact CD1-CH2 3.78Å; F312-W317 AromaticContact CD1-CZ2 3.88Å; F312-W317 HydrophobicContact CD1-CZ2 3.88Å; F312-W317 HydrophobicContact CD2-CH2 4.3Å; F312-W317 HydrophobicContact CD2-CZ2 4.03Å; F312-W317 HydrophobicContact CE1-CH2 4.13Å; F312-W317 AromaticContact CG-CH2 3.89Å; F312-W317 HydrophobicContact CG-CH2 3.89Å; F312-W317 AromaticContact CG-CZ2 3.56Å; F312-W317 HydrophobicContact CG-CZ2 3.56Å
313	K	93	Very high	93.8	Very high	182 Å²	182	50.7 Å²	50.7	79%	0.791	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	122.2	179.2	-176.3	-178.1	177.6	-175.5	0	110.1	P310	P310-K313 VanDerWaalsContact O-CB 3.24Å; P310-K313 WeakPolarHBondContact O-CB 2.9Å; P310-K313 PolarHBondContact O-N 3.11Å
314	G	88.8	Confident	93.7	Very high	83 Å²	83	56.4 Å²	56.4	86%	0.856	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	-8.9	-177.8	0	0	0	0	0	114.8	F312	F312-G314 PolarHBondContact O-N 3.22Å
315	L	93.5	Very high	93.6	Very high	23 Å²	23	53.5 Å²	53.5	12%	0.12	31%	0.306	C	S	.	.			trans	-80.9	122.2	173.9	-173.4	63.8	0	0	0	110.4	R150 F312 W317 L320 V325	R150-L315 HydrophobicContact CG-CD2 4.26Å; F312-L315 HydrophobicContact CB-CB 4.48Å; F312-L315 HydrophobicContact CB-CD2 4.44Å; F312-L315 HydrophobicContact CD1-CD2 3.93Å; F312-L315 VanDerWaalsContact O-CB 3.31Å; F312-L315 WeakPolarHBondContact O-CB 3.43Å; F312-L315 PolarHBondContact O-N 3.13Å; L315-W317 HydrophobicContact CD2-CH2 4.2Å; L315-W317 HydrophobicContact CD2-CZ2 4.24Å; L315-W317 HydrophobicContact CD2-CZ3 4.45Å; L315-W317 PolarHBondContact O-N 2.92Å; L315-L320 HydrophobicContact CD1-CD2 4.42Å; L315-L320 HydrophobicContact CD2-CD2 3.96Å; L315-L320 HydrophobicContact CG-CD2 4.35Å; L315-V325 HydrophobicContact CD1-CG1 4.5Å
316	N	95.2	Very high	93.4	Very high	80 Å²	80	56.9 Å²	56.9	43%	0.428	33%	0.33	S	S	.	.			trans	-84.5	105.4	172.5	-174.6	-6.9	0	0	0	110.5	S318 D319 L320	N316-S318 PolarHBondContact O-N 3.43Å; N316-S318 WeakPolarHBondContact OD1-CB 3.42Å; N316-S318 PolarHBondContact OD1-N 3.48Å; N316-D319 HydrophobicContact CB-CB 4.09Å; N316-D319 VanDerWaalsContact ND2-CG 3.28Å; N316-D319 PolarHBondContact ND2-OD2 3.08Å; N316-D319 PolarHBondContact O-N 3.27Å; N316-L320 WeakPolarHBondContact O-CB 3.15Å; N316-L320 PolarHBondContact O-N 2.78Å
317	W	94.7	Very high	93.1	Very high	49 Å²	49	57.9 Å²	57.9	19%	0.186	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-28.6	178.6	-63.4	99.1	0	0	0	114.4	I157 L158 K307 F312 L315 L320 A321	I157-W317 HydrophobicContact CB-CZ3 4.32Å; I157-W317 HydrophobicContact CD1-CH2 4.2Å; I157-W317 HydrophobicContact CG2-CH2 4.4Å; I157-W317 HydrophobicContact CG2-CZ3 4.14Å; L158-W317 HydrophobicContact CD1-CE3 4.42Å; L158-W317 HydrophobicContact CD2-CE3 4.11Å; L158-W317 HydrophobicContact CG-CE3 4.15Å; L158-W317 HydrophobicContact CG-CZ3 4.45Å; K307-W317 VanDerWaalsContact CA-CZ2 3.47Å; K307-W317 HydrophobicContact CB-CD2 4.27Å; K307-W317 HydrophobicContact CB-CH2 4.22Å; K307-W317 HydrophobicContact CB-CZ2 3.6Å; K307-W317 HydrophobicContact CD-CD2 3.87Å; K307-W317 HydrophobicContact CD-CE3 4.04Å; K307-W317 HydrophobicContact CD-CG 4.25Å; K307-W317 HydrophobicContact CD-CZ2 4.49Å; K307-W317 HydrophobicContact CD-CZ3 4.42Å; K307-W317 HydrophobicContact CG-CD2 3.91Å; K307-W317 HydrophobicContact CG-CE3 4.01Å; K307-W317 HydrophobicContact CG-CH2 3.76Å; K307-W317 HydrophobicContact CG-CZ2 3.63Å; K307-W317 HydrophobicContact CG-CZ3 3.93Å; F312-W317 HydrophobicContact CB-CH2 4.35Å; F312-W317 HydrophobicContact CB-CZ2 3.57Å; F312-W317 AromaticContact CD1-CH2 3.78Å; F312-W317 HydrophobicContact CD1-CH2 3.78Å; F312-W317 AromaticContact CD1-CZ2 3.88Å; F312-W317 HydrophobicContact CD1-CZ2 3.88Å; F312-W317 HydrophobicContact CD2-CH2 4.3Å; F312-W317 HydrophobicContact CD2-CZ2 4.03Å; F312-W317 HydrophobicContact CE1-CH2 4.13Å; F312-W317 AromaticContact CG-CH2 3.89Å; F312-W317 HydrophobicContact CG-CH2 3.89Å; F312-W317 AromaticContact CG-CZ2 3.56Å; F312-W317 HydrophobicContact CG-CZ2 3.56Å; L315-W317 HydrophobicContact CD2-CH2 4.2Å; L315-W317 HydrophobicContact CD2-CZ2 4.24Å; L315-W317 HydrophobicContact CD2-CZ3 4.45Å; L315-W317 PolarHBondContact O-N 2.92Å; W317-L320 HydrophobicContact CE3-CD2 4.26Å; W317-L320 HydrophobicContact CZ3-CD2 4.32Å; W317-A321 VanDerWaalsContact O-CB 3.27Å; W317-A321 WeakPolarHBondContact O-CB 3.34Å; W317-A321 PolarHBondContact O-N 3.48Å
318	S	93.3	Very high	92.7	Very high	67 Å²	67	59.2 Å²	59.2	47%	0.469	35%	0.347	S	S	.	.	H	α-helix	trans	-75.6	-40.9	178.6	-168.5	0	0	0	0	111.8	N316 Q322	N316-S318 PolarHBondContact O-N 3.43Å; N316-S318 WeakPolarHBondContact OD1-CB 3.42Å; N316-S318 PolarHBondContact OD1-N 3.48Å; S318-Q322 WeakPolarHBondContact O-CG 3.31Å; S318-Q322 PolarHBondContact O-N 3.01Å; S318-Q322 PolarHBondContact O-NE2 3.49Å; S318-Q322 VanDerWaalsContact O-NE2 3.09Å; S318-Q322 PolarHBondContact OG-NE2 3.02Å
319	D	93.3	Very high	92.1	Very high	54 Å²	54	58 Å²	58	29%	0.289	33%	0.328	S	S	.	.	H	α-helix	trans	-70.2	-38.1	175	-71	-29.2	0	0	0	111.1	N316 Q322 K323 K324 V325	N316-D319 HydrophobicContact CB-CB 4.09Å; N316-D319 VanDerWaalsContact ND2-CG 3.28Å; N316-D319 PolarHBondContact ND2-OD2 3.08Å; N316-D319 PolarHBondContact O-N 3.27Å; D319-Q322 CarbonylContact O-C 3.55Å; D319-Q322 PolarHBondContact O-N 3.3Å; D319-K323 PolarHBondContact O-N 3.02Å; D319-K324 HydrophobicContact CB-CB 3.97Å; D319-K324 HydrophobicContact CB-CD 4.39Å; D319-K324 WeakPolarHBondContact O-CB 3.45Å; D319-K324 PolarHBondContact O-N 3.47Å; D319-K324 WeakPolarHBondContact OD1-CD 3.44Å; D319-K324 IonicContact OD1-NZ 3.75Å; D319-V325 HydrophobicContact CB-CG2 4.06Å
320	L	93.1	Very high	91.5	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61	-49.4	173.1	-169.4	68.3	0	0	0	110.8	F108 I151 E155 L158 L315 N316 W317 Q322 K323 V325	F108-L320 WeakPolarHBondContact CZ-O 3.09Å; I151-L320 HydrophobicContact CG2-CD1 4.03Å; E155-L320 HydrophobicContact CG-CD1 3.8Å; E155-L320 HydrophobicContact CG-CD2 4.33Å; E155-L320 HydrophobicContact CG-CG 4.09Å; L158-L320 HydrophobicContact CD1-CB 4.15Å; L158-L320 HydrophobicContact CD1-CD2 3.85Å; L158-L320 HydrophobicContact CD1-CG 3.92Å; L315-L320 HydrophobicContact CD1-CD2 4.42Å; L315-L320 HydrophobicContact CD2-CD2 3.96Å; L315-L320 HydrophobicContact CG-CD2 4.35Å; N316-L320 WeakPolarHBondContact O-CB 3.15Å; N316-L320 PolarHBondContact O-N 2.78Å; W317-L320 HydrophobicContact CE3-CD2 4.26Å; W317-L320 HydrophobicContact CZ3-CD2 4.32Å; L320-Q322 PolarHBondContact O-N 3.41Å; L320-K323 PolarHBondContact O-N 2.7Å; L320-V325 HydrophobicContact CB-CG2 4.24Å; L320-V325 HydrophobicContact CD1-CB 4.01Å; L320-V325 HydrophobicContact CD1-CG1 4.38Å; L320-V325 HydrophobicContact CD1-CG2 4.27Å
321	A	89.9	Confident	90.8	Very high	41 Å²	41	59.9 Å²	59.9	34%	0.339	33%	0.329	S	S	.	.	H	α-helix	trans	-59.5	-18.4	176.6	0	0	0	0	0	114.4	L158 W317	L158-A321 HydrophobicContact CD1-CB 3.93Å; W317-A321 VanDerWaalsContact O-CB 3.27Å; W317-A321 WeakPolarHBondContact O-CB 3.34Å; W317-A321 PolarHBondContact O-N 3.48Å
322	Q	88.3	Confident	89.7	Confident	103 Å²	103	67.4 Å²	67.4	48%	0.481	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	9.2	177	-68.3	168.8	53.6	0	0	113.1	S318 D319 L320 K324	S318-Q322 WeakPolarHBondContact O-CG 3.31Å; S318-Q322 PolarHBondContact O-N 3.01Å; S318-Q322 PolarHBondContact O-NE2 3.49Å; S318-Q322 VanDerWaalsContact O-NE2 3.09Å; S318-Q322 PolarHBondContact OG-NE2 3.02Å; D319-Q322 CarbonylContact O-C 3.55Å; D319-Q322 PolarHBondContact O-N 3.3Å; L320-Q322 PolarHBondContact O-N 3.41Å; Q322-K324 HydrophobicContact CB-CD 4.11Å; Q322-K324 HydrophobicContact CB-CG 4.07Å; Q322-K324 PolarHBondContact O-N 3.28Å; Q322-K324 VanDerWaalsContact OE1-CE 3.26Å
323	K	90.1	Very high	88.5	Confident	60 Å²	60	70.1 Å²	70.1	26%	0.261	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	34.6	-173.4	-67.1	-174	172.3	179.4	0	113.9	P107 F108 D181 H185 D319 L320	P107-K323 HydrophobicContact CB-CD 4.38Å; P107-K323 VanDerWaalsContact O-CE 3.32Å; P107-K323 WeakPolarHBondContact O-CE 3.42Å; P107-K323 PolarHBondContact O-NZ 3.03Å; F108-K323 HydrophobicContact CE1-CD 4.47Å; F108-K323 HydrophobicContact CE1-CG 4Å; F108-K323 HydrophobicContact CZ-CG 4.23Å; D181-K323 IonicContact OD2-NZ 3.76Å; D181-K323 PolarHBondContact OD2-NZ 3.4Å; H185-K323 HydrophobicContact CB-CD 4.04Å; D319-K323 PolarHBondContact O-N 3.02Å; L320-K323 PolarHBondContact O-N 2.7Å
324	K	91.1	Very high	87.3	Confident	128 Å²	128	70.6 Å²	70.6	56%	0.557	38%	0.381	S	S	*	.			trans	-88.6	-24.1	175.6	-69.3	173.7	172.6	167.6	0	113.6	D319 Q322	D319-K324 HydrophobicContact CB-CB 3.97Å; D319-K324 HydrophobicContact CB-CD 4.39Å; D319-K324 WeakPolarHBondContact O-CB 3.45Å; D319-K324 PolarHBondContact O-N 3.47Å; D319-K324 WeakPolarHBondContact OD1-CD 3.44Å; D319-K324 IonicContact OD1-NZ 3.75Å; Q322-K324 HydrophobicContact CB-CD 4.11Å; Q322-K324 HydrophobicContact CB-CG 4.07Å; Q322-K324 PolarHBondContact O-N 3.28Å; Q322-K324 VanDerWaalsContact OE1-CE 3.26Å
325	V	91.4	Very high	86.2	Confident	27 Å²	27	69.7 Å²	69.7	16%	0.164	36%	0.361	C	S	.	.	S	Bend	trans	-73.5	124.8	169.3	179.2	0	0	0	0	106.8	I151 H185 L315 D319 L320	I151-V325 HydrophobicContact CD1-CG1 4.07Å; I151-V325 HydrophobicContact CG1-CG1 4.22Å; H185-V325 PolarHBondContact CE1-O 3.3Å; H185-V325 VanDerWaalsContact CE1-O 3.32Å; L315-V325 HydrophobicContact CD1-CG1 4.5Å; D319-V325 HydrophobicContact CB-CG2 4.06Å; L320-V325 HydrophobicContact CB-CG2 4.24Å; L320-V325 HydrophobicContact CD1-CB 4.01Å; L320-V325 HydrophobicContact CD1-CG1 4.38Å; L320-V325 HydrophobicContact CD1-CG2 4.27Å
326	P	88.1	Confident	84.7	Confident	103 Å²	103	76.2 Å²	76.2	67%	0.669	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-64.2	142.9	-179.5	26.6	-34.5	0	0	0	111.2
327	S	89	Confident	83.2	Confident	22 Å²	22	75.7 Å²	75.7	15%	0.154	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-61.3	146	173	176.4	0	0	0	0	111.4	D183 G184 F329	D183-S327 WeakPolarHBondContact O-CB 3.45Å; G184-S327 PolarHBondContact O-OG 3.42Å; S327-F329 PolarHBondContact O-N 3.3Å; S327-F329 PolarHBondContact OG-N 3.14Å; S327-F329 PolarHBondContact OG-O 3.05Å; S327-F329 VanDerWaalsContact OG-O 3.12Å
328	P	88	Confident	81.8	Confident	49 Å²	49	74.6 Å²	74.6	32%	0.318	39%	0.386	S	S	.	.	S	Bend	trans	-60.7	-27.3	173.9	-21.5	33.7	0	0	0	114.3	A148 I151 Y152	A148-P328 HydrophobicContact CB-CB 3.47Å; A148-P328 VanDerWaalsContact CB-CB 3.47Å; A148-P328 HydrophobicContact CB-CG 3.84Å; I151-P328 HydrophobicContact CB-CG 3.89Å; I151-P328 HydrophobicContact CD1-CG 3.98Å; I151-P328 HydrophobicContact CG2-CG 4.16Å; Y152-P328 HydrophobicContact CD1-CG 4.45Å; Y152-P328 HydrophobicContact CD2-CG 4.25Å; Y152-P328 HydrophobicContact CE1-CG 4.07Å; Y152-P328 HydrophobicContact CE2-CB 4.07Å; Y152-P328 HydrophobicContact CE2-CG 3.83Å
329	F	82.4	Confident	80.7	Confident	49 Å²	49	71.6 Å²	71.6	22%	0.215	36%	0.364	C	S	.	.			trans	-152.7	124.2	-179.3	166.7	-104.1	0	0	0	110	H137 R141 L180 G184 S327 P331	H137-F329 AromaticContact ND1-CE1 3.72Å; H137-F329 AromaticContact NE2-CE1 3.77Å; R141-F329 VanDerWaalsContact NH2-CE1 3.28Å; L180-F329 HydrophobicContact CD1-CD1 4.47Å; G184-F329 WeakPolarHBondContact CA-O 3.31Å; S327-F329 PolarHBondContact O-N 3.3Å; S327-F329 PolarHBondContact OG-N 3.14Å; S327-F329 PolarHBondContact OG-O 3.05Å; S327-F329 VanDerWaalsContact OG-O 3.12Å; F329-P331 HydrophobicContact CE1-CB 4.24Å; F329-P331 HydrophobicContact CE1-CG 4.02Å
330	K	85.4	Confident	79.4	Confident	124 Å²	124	71.5 Å²	71.5	54%	0.539	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-94.2	120.6	172.2	178.3	160.3	176.7	152	0	110	S182 D183	S182-K330 WeakPolarHBondContact O-CE 3.17Å; D183-K330 IonicContact OD1-NZ 2.65Å; D183-K330 PolarHBondContact OD1-NZ 3.3Å
331	P	82.3	Confident	78.4	Confident	5 Å²	5	72.2 Å²	72.2	3%	0.032	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-55.6	136	176.2	-27.6	36.2	0	0	0	113	L180 G184 F329 L333	L180-P331 HydrophobicContact CB-CG 4.29Å; G184-P331 VanDerWaalsContact CA-CD 3.48Å; F329-P331 HydrophobicContact CE1-CB 4.24Å; F329-P331 HydrophobicContact CE1-CG 4.02Å; P331-L333 PolarHBondContact O-N 3.22Å
332	E	75.3	Confident	77.4	Confident	162 Å²	162	70.9 Å²	70.9	76%	0.757	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-75.1	125	168.4	-67.7	-173.1	-175.7	0	0	108.9	N341	E332-N341 PolarHBondContact O-ND2 3.08Å
333	L	73.3	Confident	76.3	Confident	61 Å²	61	67.1 Å²	67.1	32%	0.319	35%	0.353	S	S	.	.			trans	-126.3	119.4	179.2	-65.1	173.4	0	0	0	108.8	P331 D338 N341	P331-L333 PolarHBondContact O-N 3.22Å; L333-D338 HydrophobicContact CD2-CB 4.49Å; L333-N341 WeakPolarHBondContact CD2-ND2 3.21Å
334	K	67.8	Low	75.4	Confident	193 Å²	193	72.4 Å²	72.4	84%	0.839	38%	0.379	S	S	*	.	S	Bend	trans	-80.5	-22.2	178.5	-62.4	165.4	-176.2	164.3	0	112.6	D338	K334-D338 VanDerWaalsContact CB-OD2 3.26Å; K334-D338 WeakPolarHBondContact CB-OD2 3.35Å; K334-D338 WeakPolarHBondContact CG-OD2 3.15Å; K334-D338 PolarHBondContact N-OD2 3.24Å
335	S	64.4	Low	74.3	Confident	64 Å²	64	73.1 Å²	73.1	45%	0.448	38%	0.384	S	S	.	.	S	Bend	trans	-165.6	169.3	176.5	68.9	0	0	0	0	110.3	L337 D338	S335-L337 PolarHBondContact O-N 3.33Å; S335-L337 PolarHBondContact OG-N 2.75Å; S335-D338 WeakPolarHBondContact O-CB 3.01Å; S335-D338 PolarHBondContact O-N 3.25Å; S335-D338 PolarHBondContact OG-N 3.08Å
336	E	61.6	Low	73.3	Confident	160 Å²	160	73.3 Å²	73.3	75%	0.748	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.8	173.1	-60.8	176.3	171.4	0	0	113.4	L72 D338	L72-E336 HydrophobicContact CD1-CB 4.13Å; L72-E336 WeakPolarHBondContact CD1-O 3.32Å; E336-D338 VanDerWaalsContact C-N 3.34Å
337	L	63.9	Low	72.6	Confident	69 Å²	69	69.7 Å²	69.7	36%	0.361	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	4.8	174.5	-63.8	177.4	0	0	0	112.9	L47 L60 L72 S335 V339	L47-L337 HydrophobicContact CD1-CD2 3.73Å; L60-L337 HydrophobicContact CD2-CD2 4.41Å; L72-L337 HydrophobicContact CD1-CD2 3.88Å; L72-L337 HydrophobicContact CD2-CD2 3.83Å; S335-L337 PolarHBondContact O-N 3.33Å; S335-L337 PolarHBondContact OG-N 2.75Å; L337-V339 PolarHBondContact O-N 2.64Å
338	D	67	Low	71.5	Confident	26 Å²	26	71.9 Å²	71.9	14%	0.139	39%	0.385	C	S	.	.			trans	-69.2	131	175.4	-159.6	-8.3	0	0	0	109.4	Y128 L333 K334 S335 E336 G340	Y128-D338 PolarHBondContact OH-O 3.39Å; L333-D338 HydrophobicContact CD2-CB 4.49Å; K334-D338 VanDerWaalsContact CB-OD2 3.26Å; K334-D338 WeakPolarHBondContact CB-OD2 3.35Å; K334-D338 WeakPolarHBondContact CG-OD2 3.15Å; K334-D338 PolarHBondContact N-OD2 3.24Å; S335-D338 WeakPolarHBondContact O-CB 3.01Å; S335-D338 PolarHBondContact O-N 3.25Å; S335-D338 PolarHBondContact OG-N 3.08Å; E336-D338 VanDerWaalsContact C-N 3.34Å; D338-G340 PolarHBondContact OD1-N 2.88Å
339	V	69.3	Low	70.8	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.024	39%	0.388	C	S	.	.			trans	-128.4	14.3	178.1	-61.7	0	0	0	0	110.5	K48 L50 L60 L337 N341 F342 T347	K48-V339 HydrophobicContact CD-CB 4.41Å; K48-V339 HydrophobicContact CD-CG1 4.07Å; K48-V339 HydrophobicContact CD-CG2 3.47Å; K48-V339 VanDerWaalsContact CD-CG2 3.47Å; L50-V339 HydrophobicContact CD2-CB 4.4Å; L50-V339 HydrophobicContact CD2-CG1 3.75Å; L60-V339 HydrophobicContact CD2-CG1 3.99Å; L337-V339 PolarHBondContact O-N 2.64Å; V339-N341 PolarHBondContact O-N 2.92Å; V339-F342 HydrophobicContact CB-CD2 3.95Å; V339-F342 HydrophobicContact CG1-CD2 4.35Å; V339-F342 WeakPolarHBondContact O-CB 3.44Å; V339-F342 PolarHBondContact O-N 3.04Å; V339-T347 HydrophobicContact CB-CG2 3.77Å; V339-T347 HydrophobicContact CG2-CG2 3.52Å
340	G	66.3	Low	70.1	Confident	52 Å²	52	77.1 Å²	77.1	54%	0.536	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-11.7	179.4	0	0	0	0	0	114.5	D338	D338-G340 PolarHBondContact OD1-N 2.88Å
341	N	71.1	Confident	69.3	Low	15 Å²	15	73.3 Å²	73.3	8%	0.08	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.9	172.1	-57.8	-54.8	0	0	0	113.6	G131 H137 E332 L333 V339	G131-N341 WeakPolarHBondContact O-CB 3.48Å; H137-N341 PolarHBondContact NE2-OD1 2.97Å; E332-N341 PolarHBondContact O-ND2 3.08Å; L333-N341 WeakPolarHBondContact CD2-ND2 3.21Å; V339-N341 PolarHBondContact O-N 2.92Å
342	F	69.9	Low	68.7	Low	12 Å²	12	77.2 Å²	77.2	5%	0.053	42%	0.422	C	S	.	.	S	Bend	trans	-100.5	156.5	169.7	-64.9	-95.4	0	0	0	110.1	L50 Y128 V129 V339 E344 T347	L50-F342 HydrophobicContact CB-CD1 4.14Å; L50-F342 HydrophobicContact CB-CE1 4.15Å; L50-F342 HydrophobicContact CD1-CE1 4.39Å; L50-F342 HydrophobicContact CD1-CZ 4.32Å; L50-F342 HydrophobicContact CD2-CD1 4.05Å; L50-F342 HydrophobicContact CD2-CD2 3.87Å; L50-F342 HydrophobicContact CD2-CE1 4.03Å; L50-F342 HydrophobicContact CD2-CE2 3.85Å; L50-F342 HydrophobicContact CD2-CG 3.97Å; L50-F342 HydrophobicContact CD2-CZ 3.93Å; L50-F342 HydrophobicContact CG-CE1 4.41Å; Y128-F342 AromaticContact CE2-CE2 3.8Å; Y128-F342 HydrophobicContact CE2-CE2 3.8Å; Y128-F342 AromaticContact CE2-CZ 3.81Å; Y128-F342 HydrophobicContact CE2-CZ 3.81Å; V129-F342 VanDerWaalsContact O-CZ 3.31Å; V129-F342 WeakPolarHBondContact O-CZ 3.5Å; V339-F342 HydrophobicContact CB-CD2 3.95Å; V339-F342 HydrophobicContact CG1-CD2 4.35Å; V339-F342 WeakPolarHBondContact O-CB 3.44Å; V339-F342 PolarHBondContact O-N 3.04Å; F342-E344 PolarHBondContact O-N 2.72Å; F342-T347 HydrophobicContact CB-CG2 3.67Å
343	A	65.8	Low	68.3	Low	25 Å²	25	73 Å²	73	21%	0.207	40%	0.4	C	S	.	.			trans	-60.3	130.5	-177	0	0	0	0	0	112.5	E345 F346 T347	A343-E345 HydrophobicContact CB-CG 3.95Å; A343-E345 PolarHBondContact O-N 2.75Å; A343-F346 HydrophobicContact CB-CD2 3.84Å; A343-F346 HydrophobicContact CB-CE2 4.07Å; A343-F346 PolarHBondContact O-N 2.87Å; A343-T347 PolarHBondContact O-N 2.91Å; A343-T347 VanDerWaalsContact O-N 3.09Å; A343-T347 PolarHBondContact O-OG1 3.13Å
344	E	70.7	Confident	67.7	Low	170 Å²	170	72.7 Å²	72.7	79%	0.794	40%	0.403	S	S	*	.	H	α-helix	trans	-60.6	-32.5	-177.3	-169.9	172.8	-165.7	0	0	112.3	F342 F346 T347 G348	F342-E344 PolarHBondContact O-N 2.72Å; E344-F346 PolarHBondContact O-N 3.24Å; E344-F346 VanDerWaalsContact O-N 3.16Å; E344-T347 WeakPolarHBondContact CA-OG1 3.41Å; E344-T347 PolarHBondContact O-N 3.25Å; E344-G348 PolarHBondContact O-N 2.87Å
345	E	68.3	Low	67.1	Low	143 Å²	143	69.5 Å²	69.5	67%	0.668	40%	0.402	S	S	*	.	H	α-helix	trans	-60.1	-22.9	175.1	60	171.4	-152.7	0	0	114.3	A343 M349	A343-E345 HydrophobicContact CB-CG 3.95Å; A343-E345 PolarHBondContact O-N 2.75Å; E345-M349 VanDerWaalsContact O-CG 3.31Å; E345-M349 WeakPolarHBondContact O-CG 3.34Å
346	F	69.7	Low	66.8	Low	32 Å²	32	67.7 Å²	67.7	14%	0.14	39%	0.391	C	S	.	.	H	α-helix	trans	-97.7	-46.5	173.3	-54	-42.4	0	0	0	111.4	V49 T52 A343 E344 G348 M349	V49-F346 WeakPolarHBondContact CB-O 3.5Å; V49-F346 HydrophobicContact CG1-CB 4.42Å; V49-F346 CarbonylContact O-C 3.47Å; T52-F346 HydrophobicContact CG2-CD1 3.93Å; T52-F346 HydrophobicContact CG2-CE1 4.19Å; T52-F346 WeakPolarHBondContact OG1-CE1 3.48Å; A343-F346 HydrophobicContact CB-CD2 3.84Å; A343-F346 HydrophobicContact CB-CE2 4.07Å; A343-F346 PolarHBondContact O-N 2.87Å; E344-F346 PolarHBondContact O-N 3.24Å; E344-F346 VanDerWaalsContact O-N 3.16Å; F346-G348 VanDerWaalsContact C-N 3.26Å; F346-G348 PolarHBondContact O-N 2.95Å; F346-M349 VanDerWaalsContact O-CB 3.28Å; F346-M349 WeakPolarHBondContact O-CB 3.47Å; F346-M349 WeakPolarHBondContact O-CG 3.34Å; F346-M349 PolarHBondContact O-N 2.8Å
347	T	72.7	Confident	66.4	Low	27 Å²	27	64.8 Å²	64.8	17%	0.166	39%	0.388	C	S	.	.	H	α-helix	trans	-70.8	-20.9	-174.2	59.8	0	0	0	0	113.9	V49 V339 F342 A343 E344	V49-T347 WeakPolarHBondContact O-CA 2.99Å; V339-T347 HydrophobicContact CB-CG2 3.77Å; V339-T347 HydrophobicContact CG2-CG2 3.52Å; F342-T347 HydrophobicContact CB-CG2 3.67Å; A343-T347 PolarHBondContact O-N 2.91Å; A343-T347 VanDerWaalsContact O-N 3.09Å; A343-T347 PolarHBondContact O-OG1 3.13Å; E344-T347 WeakPolarHBondContact CA-OG1 3.41Å; E344-T347 PolarHBondContact O-N 3.25Å
348	G	66.3	Low	65.8	Low	67 Å²	67	65.4 Å²	65.4	69%	0.691	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-3.7	168.8	0	0	0	0	0	115.1	E344 F346	E344-G348 PolarHBondContact O-N 2.87Å; F346-G348 VanDerWaalsContact C-N 3.26Å; F346-G348 PolarHBondContact O-N 2.95Å
349	M	72.9	Confident	65.2	Low	79 Å²	79	65.2 Å²	65.2	39%	0.389	40%	0.395	S	S	.	.	S	Bend	trans	-77.9	138.8	173.6	-57.5	-170.4	89	0	0	111.3	V49 T52 E345 F346	V49-M349 HydrophobicContact CB-CB 4.32Å; V49-M349 HydrophobicContact CG1-SD 4.49Å; V49-M349 HydrophobicContact CG2-CB 3.99Å; T52-M349 HydrophobicContact CG2-SD 4.28Å; E345-M349 VanDerWaalsContact O-CG 3.31Å; E345-M349 WeakPolarHBondContact O-CG 3.34Å; F346-M349 VanDerWaalsContact O-CB 3.28Å; F346-M349 WeakPolarHBondContact O-CB 3.47Å; F346-M349 WeakPolarHBondContact O-CG 3.34Å; F346-M349 PolarHBondContact O-N 2.8Å
350	D	67.8	Low	64	Low	130 Å²	130	70.6 Å²	70.6	70%	0.695	43%	0.43	S	S	*	.			trans	-56.5	134.8	167.3	-65	-49.5	0	0	0	110.7	V352	D350-V352 HydrophobicContact CB-CG2 3.73Å; D350-V352 PolarHBondContact O-N 3.39Å
351	P	69.6	Low	63.2	Low	43 Å²	43	73.8 Å²	73.8	28%	0.279	44%	0.444	S	S	.	.			trans	-75.1	44.7	-178.1	32	-37	0	0	0	113.3	L46 F59 Y353	L46-P351 HydrophobicContact CB-CB 4.15Å; F59-P351 HydrophobicContact CD1-CB 4.48Å; P351-Y353 PolarHBondContact O-N 3.32Å
352	V	69.6	Low	61.9	Low	87 Å²	87	73.5 Å²	73.5	53%	0.527	44%	0.443	S	S	.	.			trans	-78.1	121.3	-175.1	-176.7	0	0	0	0	111.7	D350 S354	D350-V352 HydrophobicContact CB-CG2 3.73Å; D350-V352 PolarHBondContact O-N 3.39Å; V352-S354 PolarHBondContact O-N 3.08Å; V352-S354 PolarHBondContact O-OG 3.03Å
353	Y	65.8	Low	60.6	Low	73 Å²	73	78.7 Å²	78.7	29%	0.286	47%	0.471	S	S	.	.			trans	-74.3	84.9	172.9	-174.8	-97.9	0	0	0	111.4	M41 V77 K121 H123 P351	M41-Y353 HydrophobicContact CE-CD2 3.78Å; M41-Y353 HydrophobicContact CE-CE2 3.88Å; M41-Y353 HydrophobicContact CE-CG 4.46Å; M41-Y353 HydrophobicContact CG-CE2 4.37Å; M41-Y353 HydrophobicContact SD-CD2 4.44Å; M41-Y353 HydrophobicContact SD-CE2 3.92Å; V77-Y353 HydrophobicContact CG1-CE2 4.06Å; K121-Y353 HydrophobicContact CD-CE2 3.94Å; K121-Y353 WeakPolarHBondContact CD-OH 3.33Å; H123-Y353 AromaticContact NE2-CE2 3.5Å; H123-Y353 WeakPolarHBondContact NE2-CE2 3.45Å; H123-Y353 AromaticContact NE2-CZ 3.76Å; H123-Y353 PolarHBondContact NE2-OH 3.23Å; P351-Y353 PolarHBondContact O-N 3.32Å
354	S	61.6	Low	59.4	Low	55 Å²	55	86.8 Å²	86.8	39%	0.385	50%	0.497	S	S	.	.			trans	-61.1	143.1	-175.2	-35.5	0	0	0	0	113.1	K121 V352	K121-S354 VanDerWaalsContact CE-O 3.27Å; K121-S354 WeakPolarHBondContact CE-O 3.22Å; K121-S354 PolarHBondContact NZ-O 2.88Å; V352-S354 PolarHBondContact O-N 3.08Å; V352-S354 PolarHBondContact O-OG 3.03Å
355	P	55.6	Low	57.9	Low	126 Å²	126	82 Å²	82	82%	0.818	48%	0.476	S	S	*	.			trans	-57.5	153.1	172.1	-24.3	34.5	0	0	0	112.9
356	A	57.9	Low	56.6	Low	26 Å²	26	75.8 Å²	75.8	22%	0.215	45%	0.447	C	S	.	.			trans	-140.8	139.4	174.8	0	0	0	0	0	110.2	S120 K121	S120-A356 VanDerWaalsContact CB-O 3.24Å; S120-A356 WeakPolarHBondContact CB-O 3.26Å; S120-A356 PolarHBondContact OG-O 2.96Å; S120-A356 VanDerWaalsContact OG-O 3.07Å; K121-A356 HydrophobicContact CD-CB 4.48Å; K121-A356 HydrophobicContact CG-CB 4.14Å
357	S	52.9	Low	55	Low	100 Å²	100	80 Å²	80	70%	0.699	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-64.9	137.2	179.9	44.6	0	0	0	0	112	P359	S357-P359 WeakPolarHBondContact O-CD 3.37Å
358	T	52.4	Low	53.4	Low	82 Å²	82	79.8 Å²	79.8	50%	0.503	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-82.8	116.4	177.8	-44.3	0	0	0	0	109.3	Q119	Q119-T358 HydrophobicContact CB-CG2 4.14Å
359	P	53.4	Low	52.3	Low	21 Å²	21	77.9 Å²	77.9	14%	0.136	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-68.5	140	176.1	27	-32.1	0	0	0	110.6	K80 A81 S357 S361 T362	K80-P359 HydrophobicContact CB-CG 4.16Å; A81-P359 HydrophobicContact CB-CB 4.43Å; A81-P359 HydrophobicContact CB-CG 4.46Å; S357-P359 WeakPolarHBondContact O-CD 3.37Å; P359-S361 PolarHBondContact O-N 3.46Å; P359-T362 HydrophobicContact CB-CG2 3.87Å; P359-T362 HydrophobicContact CG-CG2 3.7Å
360	P	44.3	Very low	50.7	Low	117 Å²	117	76.3 Å²	76.3	76%	0.76	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	136.1	-178.2	24.4	-32.5	0	0	0	111.7	T362	P360-T362 PolarHBondContact O-N 2.97Å
361	S	48.5	Very low	49.6	Very low	120 Å²	120	71 Å²	71	84%	0.839	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	43.4	171.2	58.4	0	0	0	0	117.7	P359	P359-S361 PolarHBondContact O-N 3.46Å
362	T	44.8	Very low	48.2	Very low	9 Å²	9	69.2 Å²	69.2	6%	0.055	40%	0.398	C	S	.	.			trans	-97.3	-2.6	179.1	57.5	0	0	0	0	117.4	V84 P359 P360 R364 L365	V84-T362 HydrophobicContact CG2-CG2 4.3Å; P359-T362 HydrophobicContact CB-CG2 3.87Å; P359-T362 HydrophobicContact CG-CG2 3.7Å; P360-T362 PolarHBondContact O-N 2.97Å; T362-R364 PolarHBondContact O-N 3.11Å; T362-R364 VanDerWaalsContact O-N 3.14Å; T362-L365 WeakPolarHBondContact O-CB 3.35Å; T362-L365 PolarHBondContact O-N 2.74Å
363	D	41.9	Very low	46.5	Very low	121 Å²	121	65.1 Å²	65.1	65%	0.647	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28.5	-172.2	-63.5	-41.6	0	0	0	114.4	L365 Q367	D363-L365 VanDerWaalsContact C-N 3.31Å; D363-L365 PolarHBondContact O-N 3.27Å; D363-Q367 PolarHBondContact O-N 3.26Å
364	R	41	Very low	44.9	Very low	195 Å²	195	63 Å²	63	74%	0.736	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-10.5	175.4	-68.6	-177.6	175	-177.5	-2.3	114.3	T362	T362-R364 PolarHBondContact O-N 3.11Å; T362-R364 VanDerWaalsContact O-N 3.14Å
365	L	38.5	Very low	43.6	Very low	68 Å²	68	61.1 Å²	61.1	36%	0.356	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-20.9	-172.7	-128.2	145	0	0	0	112.5	T362 D363	T362-L365 WeakPolarHBondContact O-CB 3.35Å; T362-L365 PolarHBondContact O-N 2.74Å; D363-L365 VanDerWaalsContact C-N 3.31Å; D363-L365 PolarHBondContact O-N 3.27Å
366	F	41.3	Very low	42.6	Very low	13 Å²	13	55.7 Å²	55.7	6%	0.057	32%	0.319	C	S	.	.	S	Bend	trans	-121.1	17	175.6	-57	-76	0	0	0	112.1	K80 I83 V84 Q117 L122 G368 Y369	K80-F366 HydrophobicContact CB-CE2 4.07Å; K80-F366 HydrophobicContact CB-CZ 4.33Å; K80-F366 HydrophobicContact CD-CD2 3.86Å; K80-F366 HydrophobicContact CD-CE2 4.02Å; K80-F366 HydrophobicContact CD-CG 4.46Å; K80-F366 HydrophobicContact CG-CD2 4.14Å; K80-F366 HydrophobicContact CG-CE2 3.88Å; K80-F366 HydrophobicContact CG-CZ 4.17Å; I83-F366 HydrophobicContact CG2-CE1 4.38Å; I83-F366 HydrophobicContact CG2-CZ 4.5Å; V84-F366 HydrophobicContact CG2-CE2 4.05Å; V84-F366 HydrophobicContact CG2-CZ 3.94Å; Q117-F366 PolarHBondContact NE2-O 3.22Å; Q117-F366 PolarHBondContact OE1-O 2.96Å; L122-F366 HydrophobicContact CD1-CD1 3.89Å; L122-F366 HydrophobicContact CD1-CE1 3.84Å; L122-F366 HydrophobicContact CD2-CB 4.46Å; L122-F366 HydrophobicContact CD2-CD1 4.11Å; L122-F366 HydrophobicContact CD2-CG 4.32Å; F366-G368 PolarHBondContact O-N 3.34Å; F366-Y369 PolarHBondContact O-N 3.12Å
367	Q	36	Very low	41.3	Very low	122 Å²	122	56 Å²	56	57%	0.57	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	124.8	177.6	-170.9	172	4.7	0	0	109.4	I27 D363	I27-Q367 VanDerWaalsContact O-O 3.05Å; D363-Q367 PolarHBondContact O-N 3.26Å
368	G	40.2	Very low	40.4	Very low	21 Å²	21	55.2 Å²	55.2	22%	0.216	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	46.7	-173.1	0	0	0	0	0	113.7	I27 A30 F366	I27-G368 VanDerWaalsContact CB-O 3.26Å; I27-G368 WeakPolarHBondContact CB-O 3.29Å; I27-G368 WeakPolarHBondContact CG2-O 3.39Å; A30-G368 WeakPolarHBondContact CA-O 3.24Å; A30-G368 WeakPolarHBondContact CB-O 3.33Å; A30-G368 PolarHBondContact N-O 2.73Å; A30-G368 CarbonylContact O-C 3.06Å; A30-G368 WeakPolarHBondContact O-CA 3.44Å; F366-G368 PolarHBondContact O-N 3.34Å
369	Y	42.3	Very low	39.2	Very low	27 Å²	27	55.5 Å²	55.5	11%	0.106	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-92.8	-12.8	169.7	-171.8	-94.6	0	0	0	113.8	I27 A115 F116 Q117 L122 L124 F366 F371	I27-Y369 HydrophobicContact CD1-CD2 3.61Å; I27-Y369 HydrophobicContact CD1-CE2 4.33Å; A115-Y369 HydrophobicContact CB-CD1 4.31Å; A115-Y369 HydrophobicContact CB-CE1 3.9Å; F116-Y369 WeakPolarHBondContact O-CE1 3.36Å; Q117-Y369 HydrophobicContact CB-CD1 4.05Å; L122-Y369 HydrophobicContact CB-CD1 4.41Å; L122-Y369 HydrophobicContact CB-CE1 3.67Å; L122-Y369 HydrophobicContact CB-CE2 4.29Å; L122-Y369 HydrophobicContact CD1-CD2 4.14Å; L122-Y369 HydrophobicContact CD1-CE1 4.5Å; L122-Y369 HydrophobicContact CD1-CE2 3.68Å; L122-Y369 HydrophobicContact CD2-CD1 3.82Å; L122-Y369 HydrophobicContact CD2-CD2 4.04Å; L122-Y369 HydrophobicContact CD2-CE1 3.94Å; L122-Y369 HydrophobicContact CD2-CE2 4.19Å; L122-Y369 HydrophobicContact CD2-CG 3.88Å; L122-Y369 HydrophobicContact CG-CE1 4.23Å; L122-Y369 HydrophobicContact CG-CE2 4.27Å; L124-Y369 WeakPolarHBondContact CD2-OH 3.48Å; L124-Y369 WeakPolarHBondContact CG-OH 3.1Å; F366-Y369 PolarHBondContact O-N 3.12Å; Y369-F371 PolarHBondContact O-N 3.4Å
370	S	39.5	Very low	38.2	Very low	47 Å²	47	62.1 Å²	62.1	33%	0.329	33%	0.326	S	S	.	.			trans	-79.6	122.1	-172.1	-59.1	0	0	0	0	112.6	A30 A115	A30-S370 CarbonylContact C-O 3.59Å; A30-S370 WeakPolarHBondContact CA-O 3.36Å; A30-S370 WeakPolarHBondContact CB-O 3.48Å; A30-S370 PolarHBondContact O-N 3.13Å; A115-S370 CarbonylContact O-C 3.52Å; A115-S370 WeakPolarHBondContact O-CA 3.2Å
371	F	44	Very low	37.7	Very low	18 Å²	18	63.1 Å²	63.1	8%	0.079	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.8	-174.8	174.8	-105.3	0	0	0	111.3	L32 L100 L112 Y114 A115 Y369 A373	L32-F371 HydrophobicContact CB-CD2 4.47Å; L32-F371 HydrophobicContact CD1-CD2 3.97Å; L32-F371 HydrophobicContact CD1-CE2 3.98Å; L100-F371 HydrophobicContact CD1-CE2 4.48Å; L100-F371 HydrophobicContact CD1-CZ 4.27Å; L112-F371 HydrophobicContact CB-CE1 4.4Å; L112-F371 HydrophobicContact CD2-CD1 3.69Å; L112-F371 HydrophobicContact CD2-CE1 3.8Å; L112-F371 HydrophobicContact CG-CD1 3.95Å; L112-F371 HydrophobicContact CG-CE1 3.88Å; Y114-F371 CarbonylContact C-O 3.56Å; Y114-F371 VanDerWaalsContact CA-O 3.3Å; Y114-F371 WeakPolarHBondContact CA-O 3.29Å; A115-F371 HydrophobicContact CB-CB 3.79Å; A115-F371 PolarHBondContact N-O 3.11Å; A115-F371 PolarHBondContact O-N 3.47Å; A115-F371 VanDerWaalsContact O-O 3.05Å; Y369-F371 PolarHBondContact O-N 3.4Å; F371-A373 HydrophobicContact CE1-CB 4.16Å; F371-A373 HydrophobicContact CZ-CB 4.25Å
372	I	40.6	Very low	36.8	Very low	6 Å²	6	60.9 Å²	60.9	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	119.6	173.5	-48	179.7	0	0	0	106.6	T33 E37 V39 H113 Y114 I376 R454	T33-I372 HydrophobicContact CG2-CB 3.85Å; T33-I372 HydrophobicContact CG2-CG1 4.41Å; T33-I372 WeakPolarHBondContact CG2-O 3.34Å; E37-I372 HydrophobicContact CB-CD1 4.38Å; V39-I372 HydrophobicContact CG2-CD1 3.67Å; V39-I372 HydrophobicContact CG2-CG1 4.21Å; H113-I372 CarbonylContact O-C 3.46Å; Y114-I372 HydrophobicContact CD1-CB 4.06Å; Y114-I372 HydrophobicContact CD1-CG1 3.93Å; Y114-I372 HydrophobicContact CD1-CG2 3.56Å; Y114-I372 HydrophobicContact CE1-CB 4.4Å; Y114-I372 HydrophobicContact CE1-CG1 4.42Å; Y114-I372 HydrophobicContact CE1-CG2 3.44Å; Y114-I372 VanDerWaalsContact CE1-CG2 3.44Å; I372-I376 HydrophobicContact CG2-CG2 3.76Å; I372-R454 VanDerWaalsContact CB-NH2 3.34Å; I372-R454 PolarHBondContact O-NH1 3.43Å
373	A	34.8	Very low	36.4	Very low	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.335	C	S	.	.			trans	-55.9	135.6	-177.8	0	0	0	0	0	111.4	L112 H113 F371 S375 I376	L112-A373 WeakPolarHBondContact O-CB 3.49Å; H113-A373 WeakPolarHBondContact O-CB 3.35Å; H113-A373 PolarHBondContact O-N 3.44Å; F371-A373 HydrophobicContact CE1-CB 4.16Å; F371-A373 HydrophobicContact CZ-CB 4.25Å; A373-S375 PolarHBondContact O-N 3.48Å; A373-I376 HydrophobicContact CB-CB 4.43Å; A373-I376 HydrophobicContact CB-CD1 4.35Å; A373-I376 WeakPolarHBondContact O-CB 3.44Å; A373-I376 PolarHBondContact O-N 3.1Å; A373-I376 VanDerWaalsContact O-N 3.12Å
374	P	32.7	Very low	36	Very low	29 Å²	29	65.2 Å²	65.2	19%	0.188	34%	0.336	C	S	.	.	H	α-helix	trans	-59	-33.6	173.6	-26.6	36.3	0	0	0	112.3	I376 L377 F378 F431	P374-I376 PolarHBondContact O-N 2.95Å; P374-L377 WeakPolarHBondContact O-CB 3.28Å; P374-L377 PolarHBondContact O-N 3.19Å; P374-F378 WeakPolarHBondContact O-CB 3.46Å; P374-F378 WeakPolarHBondContact O-CD2 3.19Å; P374-F378 PolarHBondContact O-N 2.86Å; P374-F431 HydrophobicContact CB-CE1 4.17Å; P374-F431 HydrophobicContact CG-CE1 3.81Å
375	S	34.3	Very low	35.4	Very low	15 Å²	15	57.7 Å²	57.7	11%	0.105	32%	0.32	C	S	.	.	H	α-helix	trans	-66.4	-19.8	177	78.5	0	0	0	0	114.3	R104 A373 L377 F378 N379	R104-S375 VanDerWaalsContact CZ-CB 3.45Å; R104-S375 PolarHBondContact NH1-OG 3.36Å; R104-S375 PolarHBondContact NH2-OG 3.21Å; A373-S375 PolarHBondContact O-N 3.48Å; S375-L377 PolarHBondContact O-N 2.83Å; S375-F378 CarbonylContact O-C 3.56Å; S375-F378 VanDerWaalsContact O-C 3.28Å; S375-F378 PolarHBondContact O-N 3.09Å; S375-F378 VanDerWaalsContact O-N 3.08Å; S375-N379 WeakPolarHBondContact O-CA 3.26Å; S375-N379 WeakPolarHBondContact O-CB 3.3Å; S375-N379 PolarHBondContact O-N 2.68Å
376	I	34.3	Very low	35	Very low	12 Å²	12	60.7 Å²	60.7	6%	0.062	34%	0.336	C	S	.	.	H	α-helix	trans	-67	-35.6	-179	-110.2	158.5	0	0	0	109.1	H67 H113 Y114 I372 A373 P374	H67-I376 PolarHBondContact CD2-O 3.17Å; H67-I376 WeakPolarHBondContact NE2-CG2 3.41Å; H67-I376 PolarHBondContact NE2-O 3.37Å; H113-I376 HydrophobicContact CB-CD1 3.35Å; H113-I376 WeakPolarHBondContact ND1-CD1 3.28Å; H113-I376 WeakPolarHBondContact O-CD1 3.35Å; Y114-I376 HydrophobicContact CD2-CD1 3.82Å; Y114-I376 HydrophobicContact CE1-CD1 4.22Å; Y114-I376 HydrophobicContact CE1-CG2 4.1Å; Y114-I376 HydrophobicContact CE2-CD1 3.26Å; Y114-I376 HydrophobicContact CE2-CG1 4.38Å; Y114-I376 HydrophobicContact CG-CD1 4.49Å; Y114-I376 VanDerWaalsContact CZ-CD1 3.46Å; Y114-I376 WeakPolarHBondContact OH-CG2 3.33Å; I372-I376 HydrophobicContact CG2-CG2 3.76Å; A373-I376 HydrophobicContact CB-CB 4.43Å; A373-I376 HydrophobicContact CB-CD1 4.35Å; A373-I376 WeakPolarHBondContact O-CB 3.44Å; A373-I376 PolarHBondContact O-N 3.1Å; A373-I376 VanDerWaalsContact O-N 3.12Å; P374-I376 PolarHBondContact O-N 2.95Å
377	L	29.1	Very low	34.6	Very low	33 Å²	33	67.4 Å²	67.4	17%	0.173	37%	0.365	C	S	.	.	H	α-helix	trans	-74.1	-23.5	168.5	-46	178	0	0	0	115.7	H35 P374 S375 R454	H35-L377 VanDerWaalsContact NE2-CD1 3.31Å; H35-L377 WeakPolarHBondContact NE2-CD1 3.39Å; H35-L377 WeakPolarHBondContact NE2-CD2 3.39Å; P374-L377 WeakPolarHBondContact O-CB 3.28Å; P374-L377 PolarHBondContact O-N 3.19Å; S375-L377 PolarHBondContact O-N 2.83Å; L377-R454 HydrophobicContact CD1-CG 4.34Å
378	F	35.3	Very low	34.4	Very low	84 Å²	84	67.2 Å²	67.2	37%	0.368	37%	0.372	S	S	.	.	S	Bend	trans	-137	32.7	-160.4	-61.3	-50.8	0	0	0	111.5	P374 S375 K380 H487	P374-F378 WeakPolarHBondContact O-CB 3.46Å; P374-F378 WeakPolarHBondContact O-CD2 3.19Å; P374-F378 PolarHBondContact O-N 2.86Å; S375-F378 CarbonylContact O-C 3.56Å; S375-F378 VanDerWaalsContact O-C 3.28Å; S375-F378 PolarHBondContact O-N 3.09Å; S375-F378 VanDerWaalsContact O-N 3.08Å; F378-K380 PolarHBondContact O-N 2.8Å; F378-H487 AromaticContact CE1-NE2 3.46Å; F378-H487 WeakPolarHBondContact CE1-NE2 3.34Å; F378-H487 AromaticContact CZ-NE2 3.89Å
379	N	26.1	Very low	33.9	Very low	88 Å²	88	74.3 Å²	74.3	47%	0.471	40%	0.4	S	S	.	.			trans	-71.6	124.7	-166.4	-140.2	16.1	0	0	0	109.3	S375	S375-N379 WeakPolarHBondContact O-CA 3.26Å; S375-N379 WeakPolarHBondContact O-CB 3.3Å; S375-N379 PolarHBondContact O-N 2.68Å
380	K	32.2	Very low	33.2	Very low	160 Å²	160	78.3 Å²	78.3	70%	0.696	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	139.1	171.6	-76.8	-170.7	172.8	-175.6	0	108.6	F378	F378-K380 PolarHBondContact O-N 2.8Å
381	N	33.5	Very low	32.8	Very low	138 Å²	138	84.9 Å²	84.9	74%	0.738	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	11.4	164.7	-51.2	-5.9	0	0	0	119.7
382	A	30.7	Very low	32.2	Very low	72 Å²	72	92 Å²	92	60%	0.595	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-39.5	158.8	0	0	0	0	0	112.3	M384	A382-M384 VanDerWaalsContact C-N 3.27Å; A382-M384 PolarHBondContact O-N 2.93Å
383	V	35.4	Very low	31.5	Very low	86 Å²	86	95.3 Å²	95.3	52%	0.521	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3	-177.9	-173.8	0	0	0	0	113.2	F387	V383-F387 VanDerWaalsContact O-CD2 3.25Å; V383-F387 WeakPolarHBondContact O-CD2 3.4Å
384	M	33.4	Very low	31.3	Very low	136 Å²	136	99.9 Å²	99.9	67%	0.67	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.6	-4.5	-179.7	-87.9	175.9	63.3	0	0	115.4	A382	A382-M384 VanDerWaalsContact C-N 3.27Å; A382-M384 PolarHBondContact O-N 2.93Å
385	G	29.8	Very low	31.3	Very low	37 Å²	37	107 Å²	107	38%	0.381	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.8	-57.9	168.8	0	0	0	0	0	110.1	F387 V388	G385-F387 PolarHBondContact O-N 2.9Å; G385-F387 VanDerWaalsContact O-N 3.09Å; G385-V388 PolarHBondContact O-N 2.95Å
386	D	30.5	Very low	31	Very low	131 Å²	131	117.4 Å²	117.4	70%	0.701	64%	0.635	S	S	*	*	H	α-helix	trans	-65.3	-15.2	-177.4	-65.7	8	0	0	0	114.4	C390	D386-C390 WeakPolarHBondContact O-CB 3.42Å
387	F	33	Very low	30.8	Very low	153 Å²	153	122.1 Å²	122.1	67%	0.671	67%	0.666	S	S	*	*	H	α-helix	trans	-79.6	-18.4	177.4	-94.4	-89.5	0	0	0	114.1	V383 G385	V383-F387 VanDerWaalsContact O-CD2 3.25Å; V383-F387 WeakPolarHBondContact O-CD2 3.4Å; G385-F387 PolarHBondContact O-N 2.9Å; G385-F387 VanDerWaalsContact O-N 3.09Å
388	V	29.8	Very low	30.9	Very low	119 Å²	119	123.9 Å²	123.9	72%	0.721	69%	0.685	S	S	*	*	H	α-helix	trans	-98.8	-31	-176.7	-175	0	0	0	0	112.2	G385	G385-V388 PolarHBondContact O-N 2.95Å
389	E	29.7	Very low	30.8	Very low	170 Å²	170	124.3 Å²	124.3	79%	0.794	70%	0.699	S	S	*	*	H	α-helix	trans	-83.6	-15.6	177	-73.6	-170.7	142.3	0	0	114.1	Q391	E389-Q391 VanDerWaalsContact C-N 3.26Å; E389-Q391 PolarHBondContact O-N 3.2Å; E389-Q391 VanDerWaalsContact O-N 3.13Å
390	C	28.5	Very low	31	Very low	111 Å²	111	123.1 Å²	123.1	75%	0.75	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	7.6	-173.7	-140.3	0	0	0	0	116.1	D386	D386-C390 WeakPolarHBondContact O-CB 3.42Å
391	Q	30.7	Very low	30.9	Very low	185 Å²	185	118.1 Å²	118.1	86%	0.864	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	3.3	177.9	-72.4	-161.6	-14.6	0	0	115.3	E389	E389-Q391 VanDerWaalsContact C-N 3.26Å; E389-Q391 PolarHBondContact O-N 3.2Å; E389-Q391 VanDerWaalsContact O-N 3.13Å
392	I	31.5	Very low	31	Very low	166 Å²	166	115.9 Å²	115.9	85%	0.851	68%	0.678	S	S	*	*	S	Bend	trans	-137.3	76.3	174	-46.5	179.7	0	0	0	111.2
393	G	25.8	Very low	31.1	Very low	77 Å²	77	118.8 Å²	118.8	79%	0.794	68%	0.679	S	S	*	*	S	Bend	trans	150.9	123.4	167.3	0	0	0	0	0	115.8
394	A	31	Very low	31.1	Very low	96 Å²	96	119.7 Å²	119.7	79%	0.793	68%	0.677	S	S	*	*			trans	-52.6	148.4	-175.3	0	0	0	0	0	118.8
395	E	31.8	Very low	31.1	Very low	178 Å²	178	116.3 Å²	116.3	83%	0.832	67%	0.667	S	S	*	*			trans	64.8	81.4	148.2	-67.4	-172	-169.2	0	0	121.7
396	R	28.8	Very low	31.3	Very low	234 Å²	234	116.8 Å²	116.8	88%	0.883	67%	0.667	S	S	*	*				167.1	139.6	112	-91.1	169.9	-177.9	-176.4	1.7	111.8
397	P	30.4	Very low	31.9	Very low	110 Å²	110	115.5 Å²	115.5	71%	0.714	66%	0.658	S	S	*	*			trans	-79.6	124.3	175	-3.6	20.9	0	0	0	111.6
398	A	30.7	Very low	32.5	Very low	70 Å²	70	112.4 Å²	112.4	58%	0.579	65%	0.648	S	S	*	*			trans	-73.3	145.3	168.6	0	0	0	0	0	111.4	A400 S401	A398-A400 PolarHBondContact O-N 3.26Å; A398-A400 VanDerWaalsContact O-N 3.15Å; A398-S401 PolarHBondContact O-N 3.04Å; A398-S401 VanDerWaalsContact O-N 3.11Å; A398-S401 PolarHBondContact O-OG 3.15Å
399	S	34	Very low	33.2	Very low	94 Å²	94	114.2 Å²	114.2	66%	0.657	65%	0.647	S	S	*	*	H	α-helix	trans	-55.6	-32.5	-175.3	44.7	0	0	0	0	114.6	S401 V402 Q403	S399-S401 VanDerWaalsContact C-N 3.33Å; S399-S401 PolarHBondContact O-N 3.37Å; S399-V402 PolarHBondContact O-N 2.93Å; S399-Q403 PolarHBondContact O-N 3.22Å
400	A	29.8	Very low	34.3	Very low	62 Å²	62	113.2 Å²	113.2	51%	0.512	64%	0.642	S	S	.	*	H	α-helix	trans	-57.8	-42	177	0	0	0	0	0	112.8	A398 V402 Q403 Q404	A398-A400 PolarHBondContact O-N 3.26Å; A398-A400 VanDerWaalsContact O-N 3.15Å; A400-V402 PolarHBondContact O-N 2.65Å; A400-Q403 PolarHBondContact O-N 2.8Å; A400-Q404 PolarHBondContact O-N 2.85Å
401	S	30.9	Very low	36	Very low	56 Å²	56	108.4 Å²	108.4	39%	0.392	61%	0.609	S	S	.	*	H	α-helix	trans	-61.8	-32.7	179.5	68.3	0	0	0	0	113	A398 S399 S405	A398-S401 PolarHBondContact O-N 3.04Å; A398-S401 VanDerWaalsContact O-N 3.11Å; A398-S401 PolarHBondContact O-OG 3.15Å; S399-S401 VanDerWaalsContact C-N 3.33Å; S399-S401 PolarHBondContact O-N 3.37Å; S401-S405 VanDerWaalsContact O-CB 3.26Å; S401-S405 WeakPolarHBondContact O-CB 3.27Å; S401-S405 PolarHBondContact O-N 2.76Å; S401-S405 PolarHBondContact O-OG 2.84Å
402	V	34	Very low	38.1	Very low	91 Å²	91	105.1 Å²	105.1	55%	0.552	59%	0.594	S	S	*	*	H	α-helix	trans	-76.4	-41.6	179.6	-175.5	0	0	0	0	110.8	S399 A400 A406	S399-V402 PolarHBondContact O-N 2.93Å; A400-V402 PolarHBondContact O-N 2.65Å; V402-A406 WeakPolarHBondContact O-CB 3.33Å; V402-A406 PolarHBondContact O-N 3.26Å
403	Q	33.5	Very low	40.6	Very low	133 Å²	133	97.2 Å²	97.2	62%	0.621	55%	0.554	S	S	*	*	H	α-helix	trans	-69.9	-42.4	177.4	-75.6	175	-55.1	0	0	112.4	S399 A400 S405 A406 M407	S399-Q403 PolarHBondContact O-N 3.22Å; A400-Q403 PolarHBondContact O-N 2.8Å; Q403-S405 VanDerWaalsContact C-N 3.34Å; Q403-S405 PolarHBondContact O-N 2.98Å; Q403-A406 WeakPolarHBondContact O-CB 3.48Å; Q403-A406 PolarHBondContact O-N 2.94Å; Q403-M407 WeakPolarHBondContact O-CG 3.19Å; Q403-M407 PolarHBondContact O-N 2.82Å
404	Q	36.2	Very low	43.1	Very low	105 Å²	105	95.3 Å²	95.3	49%	0.491	52%	0.524	S	S	.	.	H	α-helix	trans	-63.8	-40.3	175.8	-126.5	169.6	22.4	0	0	111.5	A400 A406 L408	A400-Q404 PolarHBondContact O-N 2.85Å; Q404-A406 VanDerWaalsContact C-N 3.27Å; Q404-A406 PolarHBondContact O-N 2.66Å; Q404-L408 WeakPolarHBondContact O-CB 3.49Å; Q404-L408 WeakPolarHBondContact O-CD1 3.36Å; Q404-L408 VanDerWaalsContact O-CG 3.31Å; Q404-L408 WeakPolarHBondContact O-CG 3.38Å; Q404-L408 PolarHBondContact O-N 3.3Å; Q404-L408 VanDerWaalsContact O-N 3.1Å
405	S	33.6	Very low	45.5	Very low	65 Å²	65	95.7 Å²	95.7	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-66.8	-23.7	172.2	-64	0	0	0	0	113.9	S401 Q403 K409	S401-S405 VanDerWaalsContact O-CB 3.26Å; S401-S405 WeakPolarHBondContact O-CB 3.27Å; S401-S405 PolarHBondContact O-N 2.76Å; S401-S405 PolarHBondContact O-OG 2.84Å; Q403-S405 VanDerWaalsContact C-N 3.34Å; Q403-S405 PolarHBondContact O-N 2.98Å; S405-K409 WeakPolarHBondContact O-CD 3.39Å; S405-K409 VanDerWaalsContact O-CG 3.29Å; S405-K409 WeakPolarHBondContact O-CG 3.21Å
406	A	34	Very low	47.9	Very low	47 Å²	47	90.1 Å²	90.1	39%	0.388	48%	0.483	S	S	.	.	H	α-helix	trans	-79.7	-47.3	174.9	0	0	0	0	0	111.4	V402 Q403 Q404 L408 K409 E410	V402-A406 WeakPolarHBondContact O-CB 3.33Å; V402-A406 PolarHBondContact O-N 3.26Å; Q403-A406 WeakPolarHBondContact O-CB 3.48Å; Q403-A406 PolarHBondContact O-N 2.94Å; Q404-A406 VanDerWaalsContact C-N 3.27Å; Q404-A406 PolarHBondContact O-N 2.66Å; A406-L408 VanDerWaalsContact C-N 3.29Å; A406-L408 PolarHBondContact O-N 2.91Å; A406-K409 WeakPolarHBondContact O-CB 3.21Å; A406-K409 PolarHBondContact O-N 2.81Å; A406-E410 PolarHBondContact O-N 3.12Å
407	M	41.7	Very low	50.5	Low	104 Å²	104	79.3 Å²	79.3	51%	0.512	44%	0.442	S	S	.	.	H	α-helix	trans	-60.3	-38.4	177.1	-66.9	177.4	75	0	0	112.1	Q403 K409 E410 Y486	Q403-M407 WeakPolarHBondContact O-CG 3.19Å; Q403-M407 PolarHBondContact O-N 2.82Å; M407-K409 VanDerWaalsContact C-N 3.26Å; M407-K409 PolarHBondContact O-N 2.83Å; M407-E410 PolarHBondContact O-N 2.78Å; M407-Y486 HydrophobicContact CE-CE2 3.88Å
408	L	46.2	Very low	52.9	Low	87 Å²	87	79.2 Å²	79.2	46%	0.455	43%	0.432	S	S	.	.	H	α-helix	trans	-66.8	-21.3	173.7	-72.3	167.5	0	0	0	113.6	Q404 A406 F414	Q404-L408 WeakPolarHBondContact O-CB 3.49Å; Q404-L408 WeakPolarHBondContact O-CD1 3.36Å; Q404-L408 VanDerWaalsContact O-CG 3.31Å; Q404-L408 WeakPolarHBondContact O-CG 3.38Å; Q404-L408 PolarHBondContact O-N 3.3Å; Q404-L408 VanDerWaalsContact O-N 3.1Å; A406-L408 VanDerWaalsContact C-N 3.29Å; A406-L408 PolarHBondContact O-N 2.91Å; L408-F414 HydrophobicContact CD2-CD2 3.93Å; L408-F414 HydrophobicContact CD2-CE1 4.23Å; L408-F414 HydrophobicContact CD2-CE2 3.5Å; L408-F414 HydrophobicContact CD2-CG 4.46Å; L408-F414 HydrophobicContact CD2-CZ 3.67Å; L408-F414 WeakPolarHBondContact O-CB 3.32Å
409	K	45.3	Very low	55.1	Low	158 Å²	158	77.3 Å²	77.3	69%	0.687	41%	0.412	S	S	*	.	H	α-helix	trans	-82.5	-23.9	176	-76.9	171.3	-179	177.6	0	113.4	S405 A406 M407 Q415	S405-K409 WeakPolarHBondContact O-CD 3.39Å; S405-K409 VanDerWaalsContact O-CG 3.29Å; S405-K409 WeakPolarHBondContact O-CG 3.21Å; A406-K409 WeakPolarHBondContact O-CB 3.21Å; A406-K409 PolarHBondContact O-N 2.81Å; M407-K409 VanDerWaalsContact C-N 3.26Å; M407-K409 PolarHBondContact O-N 2.83Å; K409-Q415 PolarHBondContact O-NE2 3.27Å
410	E	51	Low	57.1	Low	148 Å²	148	75.1 Å²	75.1	69%	0.692	39%	0.393	S	S	*	.	H	α-helix	trans	-83.5	-23.1	-178.8	-67.3	-169.1	171.5	0	0	113.8	A406 M407 Q412 Q415	A406-E410 PolarHBondContact O-N 3.12Å; M407-E410 PolarHBondContact O-N 2.78Å; E410-Q412 PolarHBondContact O-N 2.77Å; E410-Q415 PolarHBondContact O-NE2 3.06Å
411	S	64.8	Low	58.5	Low	10 Å²	10	77.2 Å²	77.2	7%	0.07	40%	0.395	C	S	.	.	S	Bend	trans	-69.6	126.8	179.1	177.8	0	0	0	0	111.9	F413 F414 Q415 D484	S411-F413 PolarHBondContact O-N 3.22Å; S411-F414 PolarHBondContact O-N 3.24Å; S411-Q415 PolarHBondContact O-N 3.19Å; S411-D484 PolarHBondContact OG-OD2 2.78Å
412	Q	75.8	Confident	59.8	Low	117 Å²	117	83.6 Å²	83.6	55%	0.547	42%	0.418	S	S	.	.	H	α-helix	trans	-58.8	-30.6	-178.1	-68.2	-174.6	-1.9	0	0	113.2	E410 Q415 H416 F482	E410-Q412 PolarHBondContact O-N 2.77Å; Q412-Q415 PolarHBondContact O-N 2.92Å; Q412-H416 PolarHBondContact O-N 2.94Å; Q412-H416 PolarHBondContact O-ND1 2.88Å; Q412-F482 HydrophobicContact CB-CD1 3.86Å; Q412-F482 HydrophobicContact CB-CE1 4.46Å
413	F	83	Confident	60.9	Low	0 Å²	0	80.4 Å²	80.4	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-59.7	-53	173.1	171.7	-105.2	0	0	0	110.6	S411 Q415 H416 Y417 C437 V448 F482 Y489 V491	S411-F413 PolarHBondContact O-N 3.22Å; F413-Q415 PolarHBondContact O-N 3.03Å; F413-H416 PolarHBondContact O-N 2.68Å; F413-H416 VanDerWaalsContact O-N 3.08Å; F413-Y417 HydrophobicContact CD2-CD2 4.09Å; F413-Y417 HydrophobicContact CD2-CG 4.22Å; F413-Y417 VanDerWaalsContact CE2-CB 3.46Å; F413-Y417 HydrophobicContact CE2-CD1 4.48Å; F413-Y417 HydrophobicContact CE2-CD2 4.05Å; F413-Y417 AromaticContact CE2-CG 3.75Å; F413-Y417 HydrophobicContact CE2-CG 3.75Å; F413-Y417 HydrophobicContact CZ-CG 4.36Å; F413-Y417 WeakPolarHBondContact O-CB 3.47Å; F413-Y417 PolarHBondContact O-N 3.28Å; F413-C437 HydrophobicContact CZ-CB 4.1Å; F413-V448 HydrophobicContact CE2-CB 4.23Å; F413-V448 HydrophobicContact CE2-CG1 4.49Å; F413-V448 HydrophobicContact CE2-CG2 3.8Å; F413-V448 HydrophobicContact CZ-CB 4.22Å; F413-V448 HydrophobicContact CZ-CG1 3.99Å; F413-V448 HydrophobicContact CZ-CG2 4Å; F413-F482 HydrophobicContact CB-CB 3.89Å; F413-F482 HydrophobicContact CB-CD2 4.13Å; F413-F482 HydrophobicContact CB-CG 4.02Å; F413-F482 AromaticContact CD2-CD2 3.82Å; F413-F482 HydrophobicContact CD2-CD2 3.82Å; F413-F482 HydrophobicContact CD2-CE2 4.3Å; F413-F482 HydrophobicContact CG-CD2 4.48Å; F413-Y489 HydrophobicContact CB-CD1 4.15Å; F413-Y489 HydrophobicContact CB-CD2 3.87Å; F413-Y489 HydrophobicContact CB-CE1 4.45Å; F413-Y489 HydrophobicContact CB-CE2 4.18Å; F413-Y489 HydrophobicContact CB-CG 3.88Å; F413-Y489 AromaticContact CD1-CD1 3.55Å; F413-Y489 HydrophobicContact CD1-CD1 3.55Å; F413-Y489 AromaticContact CD1-CE1 3.63Å; F413-Y489 HydrophobicContact CD1-CE1 3.63Å; F413-Y489 HydrophobicContact CD1-CG 4.15Å; F413-Y489 AromaticContact CD2-CD1 3.97Å; F413-Y489 HydrophobicContact CD2-CD1 3.97Å; F413-Y489 AromaticContact CD2-CG 3.97Å; F413-Y489 HydrophobicContact CD2-CG 3.97Å; F413-Y489 AromaticContact CE1-CD1 3.91Å; F413-Y489 HydrophobicContact CE1-CD1 3.91Å; F413-Y489 HydrophobicContact CE1-CE1 4.09Å; F413-Y489 HydrophobicContact CE2-CD1 4.3Å; F413-Y489 AromaticContact CG-CD1 3.59Å; F413-Y489 HydrophobicContact CG-CD1 3.59Å; F413-Y489 HydrophobicContact CG-CD2 4.21Å; F413-Y489 HydrophobicContact CG-CE1 4.05Å; F413-Y489 AromaticContact CG-CG 3.7Å; F413-Y489 HydrophobicContact CG-CG 3.7Å; F413-Y489 HydrophobicContact CZ-CD1 4.28Å; F413-V491 HydrophobicContact CD2-CG2 4.14Å; F413-V491 HydrophobicContact CE2-CG2 3.87Å
414	F	79.2	Confident	62.3	Low	37 Å²	37	79.6 Å²	79.6	16%	0.162	41%	0.41	C	S	.	.	H	α-helix	trans	-72.6	-10.4	-177	-72.3	-76	0	0	0	114	L408 S411 Y417 L419 K440 Y489	L408-F414 HydrophobicContact CD2-CD2 3.93Å; L408-F414 HydrophobicContact CD2-CE1 4.23Å; L408-F414 HydrophobicContact CD2-CE2 3.5Å; L408-F414 HydrophobicContact CD2-CG 4.46Å; L408-F414 HydrophobicContact CD2-CZ 3.67Å; L408-F414 WeakPolarHBondContact O-CB 3.32Å; S411-F414 PolarHBondContact O-N 3.24Å; F414-Y417 CarbonylContact C-O 3.52Å; F414-Y417 WeakPolarHBondContact CA-O 3.38Å; F414-L419 HydrophobicContact CE1-CB 3.96Å; F414-L419 HydrophobicContact CE1-CD2 4.41Å; F414-L419 HydrophobicContact CZ-CD2 4.34Å; F414-K440 PolarHBondContact O-NZ 2.88Å; F414-Y489 HydrophobicContact CE2-CE1 4.25Å
415	Q	81.3	Confident	63.9	Low	103 Å²	103	76.6 Å²	76.6	48%	0.481	40%	0.4	S	S	.	.	H	α-helix	trans	-74.2	-37.7	167.5	-68.1	169.4	11.3	0	0	111.7	K409 E410 S411 Q412 F413	K409-Q415 PolarHBondContact O-NE2 3.27Å; E410-Q415 PolarHBondContact O-NE2 3.06Å; S411-Q415 PolarHBondContact O-N 3.19Å; Q412-Q415 PolarHBondContact O-N 2.92Å; F413-Q415 PolarHBondContact O-N 3.03Å
416	H	81	Confident	65.9	Low	62 Å²	62	78 Å²	78	29%	0.287	40%	0.401	S	S	.	.	H	α-helix	trans	-97	-29.3	-176.4	-62.7	85.5	0	0	0	112.9	Q412 F413 H439 K440 F482	Q412-H416 PolarHBondContact O-N 2.94Å; Q412-H416 PolarHBondContact O-ND1 2.88Å; F413-H416 PolarHBondContact O-N 2.68Å; F413-H416 VanDerWaalsContact O-N 3.08Å; H416-H439 CarbonylContact O-C 3.28Å; H416-H439 PolarHBondContact O-CD2 3.09Å; H416-K440 WeakPolarHBondContact O-CB 3.45Å; H416-K440 PolarHBondContact O-N 3.15Å; H416-F482 HydrophobicContact CB-CZ 4.12Å; H416-F482 AromaticContact ND1-CE1 3.87Å
417	Y	84.2	Confident	67.3	Low	6 Å²	6	77.2 Å²	77.2	2%	0.024	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.2	-173.2	-70.4	-92.1	0	0	0	112.4	F413 F414 C437 R438 H439 K440 H446 D480 F482 V491	F413-Y417 HydrophobicContact CD2-CD2 4.09Å; F413-Y417 HydrophobicContact CD2-CG 4.22Å; F413-Y417 VanDerWaalsContact CE2-CB 3.46Å; F413-Y417 HydrophobicContact CE2-CD1 4.48Å; F413-Y417 HydrophobicContact CE2-CD2 4.05Å; F413-Y417 AromaticContact CE2-CG 3.75Å; F413-Y417 HydrophobicContact CE2-CG 3.75Å; F413-Y417 HydrophobicContact CZ-CG 4.36Å; F413-Y417 WeakPolarHBondContact O-CB 3.47Å; F413-Y417 PolarHBondContact O-N 3.28Å; F414-Y417 CarbonylContact C-O 3.52Å; F414-Y417 WeakPolarHBondContact CA-O 3.38Å; Y417-C437 HydrophobicContact CD1-CB 4.35Å; Y417-R438 CarbonylContact C-O 3.6Å; Y417-R438 WeakPolarHBondContact CA-O 2.89Å; Y417-H439 HydrophobicContact CD1-CB 3.93Å; Y417-H439 HydrophobicContact CE1-CB 3.51Å; Y417-H439 AromaticContact CE1-CD2 3.92Å; Y417-H439 AromaticContact CE2-CD2 3.65Å; Y417-H439 AromaticContact CZ-CD2 3.51Å; Y417-K440 VanDerWaalsContact O-CE 3.3Å; Y417-K440 WeakPolarHBondContact O-CE 3.33Å; Y417-H446 HydrophobicContact CE1-CB 4.35Å; Y417-H446 AromaticContact CE1-CD2 3.75Å; Y417-D480 PolarHBondContact OH-OD2 2.98Å; Y417-F482 AromaticContact CD2-CE2 3.77Å; Y417-F482 HydrophobicContact CD2-CE2 3.77Å; Y417-F482 HydrophobicContact CD2-CZ 4.2Å; Y417-F482 AromaticContact CE2-CE2 3.59Å; Y417-F482 HydrophobicContact CE2-CE2 3.59Å; Y417-F482 AromaticContact CE2-CZ 3.94Å; Y417-F482 HydrophobicContact CE2-CZ 3.94Å; Y417-V491 HydrophobicContact CD1-CG1 4.4Å; Y417-V491 HydrophobicContact CD2-CG2 4.36Å; Y417-V491 HydrophobicContact CE1-CG1 3.66Å; Y417-V491 HydrophobicContact CE2-CG1 4.41Å; Y417-V491 HydrophobicContact CE2-CG2 4.16Å
418	E	81.5	Confident	67.8	Low	109 Å²	109	78.9 Å²	78.9	51%	0.509	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.5	168.7	179	172	-121.1	0	0	108.5	C437 R438 K440	E418-C437 CarbonylContact O-C 3.53Å; E418-C437 WeakPolarHBondContact O-CA 3.3Å; E418-C437 WeakPolarHBondContact O-CB 3.32Å; E418-R438 HydrophobicContact CB-CB 4.49Å; E418-R438 PolarHBondContact N-O 3.37Å; E418-R438 PolarHBondContact O-N 3.12Å; E418-K440 HydrophobicContact CB-CG 4.3Å
419	L	77.1	Confident	67.7	Low	30 Å²	30	76.8 Å²	76.8	16%	0.157	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.3	-175.9	-171.7	65.2	0	0	0	110.4	F414 L421 R435 C437 V448 I450	F414-L419 HydrophobicContact CE1-CB 3.96Å; F414-L419 HydrophobicContact CE1-CD2 4.41Å; F414-L419 HydrophobicContact CZ-CD2 4.34Å; L419-L421 HydrophobicContact CD2-CD2 3.76Å; L419-L421 HydrophobicContact CG-CD2 4.06Å; L419-L421 HydrophobicContact CG-CG 4.48Å; L419-L421 PolarHBondContact O-N 3.09Å; L419-R435 HydrophobicContact CD1-CB 3.8Å; L419-C437 HydrophobicContact CD1-CB 4.3Å; L419-V448 HydrophobicContact CD1-CG1 3.49Å; L419-V448 VanDerWaalsContact CD1-CG1 3.49Å; L419-I450 HydrophobicContact CD1-CD1 4.19Å; L419-I450 HydrophobicContact CD2-CD1 3.95Å
420	D	74.7	Confident	67.5	Low	47 Å²	47	73.1 Å²	73.1	25%	0.251	40%	0.398	S	S	.	.			trans	-78.1	106.4	173.7	-167.2	-24.2	0	0	0	109.5	H422 G423 R435 K436	D420-H422 PolarHBondContact OD1-N 2.67Å; D420-G423 PolarHBondContact OD1-N 3.23Å; D420-R435 PolarHBondContact O-NH1 3.13Å; D420-K436 HydrophobicContact CB-CB 3.96Å; D420-K436 HydrophobicContact CB-CD 4.43Å; D420-K436 HydrophobicContact CB-CG 4.22Å; D420-K436 VanDerWaalsContact CB-O 3.3Å; D420-K436 WeakPolarHBondContact CB-O 3.41Å; D420-K436 PolarHBondContact N-O 3.2Å; D420-K436 IonicContact OD2-NZ 2.76Å
421	L	59.7	Low	67.2	Low	107 Å²	107	67.9 Å²	67.9	56%	0.56	37%	0.373	S	S	*	.			trans	-97.4	-18	179.2	-66.3	178.9	0	0	0	113.1	L419 R435	L419-L421 HydrophobicContact CD2-CD2 3.76Å; L419-L421 HydrophobicContact CG-CD2 4.06Å; L419-L421 HydrophobicContact CG-CG 4.48Å; L419-L421 PolarHBondContact O-N 3.09Å; L421-R435 PolarHBondContact O-NH1 2.9Å
422	H	57.3	Low	66.9	Low	190 Å²	190	68.9 Å²	68.9	88%	0.88	38%	0.38	S	S	*	.	S	Bend	trans	-83.5	-28	-176.7	-64.4	-68.7	0	0	0	112.5	D420	D420-H422 PolarHBondContact OD1-N 2.67Å
423	G	58.5	Low	66.7	Low	24 Å²	24	65.3 Å²	65.3	25%	0.247	37%	0.366	C	S	.	.	S	Bend	trans	-75.6	156.6	172.2	0	0	0	0	0	114	D420 R435	D420-G423 PolarHBondContact OD1-N 3.23Å; G423-R435 PolarHBondContact O-NH1 3.24Å
424	P	62.2	Low	66.6	Low	116 Å²	116	66.7 Å²	66.7	75%	0.753	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-61.1	151.9	165.6	28.9	-34.8	0	0	0	110.5
425	P	70.8	Confident	66.8	Low	42 Å²	42	67.1 Å²	67.1	27%	0.273	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-62.3	144.3	175.1	27.9	-34.3	0	0	0	110.8	G427 E428 V433 C434 R435	P425-G427 PolarHBondContact O-N 3.29Å; P425-E428 HydrophobicContact CB-CG 3.95Å; P425-E428 HydrophobicContact CG-CG 3.64Å; P425-V433 HydrophobicContact CB-CG2 4.09Å; P425-C434 CarbonylContact C-O 3.5Å; P425-R435 HydrophobicContact CB-CG 4.44Å
426	L	75.1	Confident	67.1	Low	94 Å²	94	64.5 Å²	64.5	49%	0.492	36%	0.363	S	S	.	.	S	Bend	trans	-70.6	-21.6	175.4	-57.1	177.7	0	0	0	111.7	C434 K436 A447 L494	L426-C434 HydrophobicContact CB-CB 4.1Å; L426-C434 PolarHBondContact N-O 2.85Å; L426-K436 HydrophobicContact CD1-CB 4.27Å; L426-A447 HydrophobicContact CD1-CB 3.87Å; L426-L494 HydrophobicContact CD1-CD1 3.62Å
427	G	63.6	Low	67.4	Low	30 Å²	30	61.6 Å²	61.6	31%	0.309	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.4	144	172.7	0	0	0	0	0	111.3	P425 C434	P425-G427 PolarHBondContact O-N 3.29Å; G427-C434 PolarHBondContact N-O 3.31Å; G427-C434 PolarHBondContact O-N 2.75Å
428	E	52.3	Low	67.7	Low	139 Å²	139	65.7 Å²	65.7	65%	0.65	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.1	176.8	-64.9	-165.5	150.2	0	0	110.8	P425 V433	P425-E428 HydrophobicContact CB-CG 3.95Å; P425-E428 HydrophobicContact CG-CG 3.64Å; E428-V433 HydrophobicContact CG-CG2 4.48Å
429	G	43.6	Very low	68.1	Low	43 Å²	43	61.5 Å²	61.5	44%	0.443	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	163.1	171.9	0	0	0	0	0	111.4	F431 S432	G429-F431 PolarHBondContact O-N 3Å; G429-S432 CarbonylContact C-O 2.95Å; G429-S432 WeakPolarHBondContact CA-O 3.32Å; G429-S432 PolarHBondContact N-O 3.12Å; G429-S432 PolarHBondContact O-N 2.99Å; G429-S432 VanDerWaalsContact O-O 3.07Å
430	S	40.8	Very low	68.6	Low	82 Å²	82	65.4 Å²	65.4	57%	0.573	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.7	-170.4	-51.1	0	0	0	0	115.9
431	F	45.6	Very low	69.2	Low	38 Å²	38	70.6 Å²	70.6	17%	0.167	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	9.8	-178.6	-54.2	-74.8	0	0	0	113.2	P374 G429 S452 M455	P374-F431 HydrophobicContact CB-CE1 4.17Å; P374-F431 HydrophobicContact CG-CE1 3.81Å; G429-F431 PolarHBondContact O-N 3Å; F431-S452 PolarHBondContact O-N 3.29Å; F431-S452 VanDerWaalsContact O-N 3.15Å; F431-M455 HydrophobicContact CB-CG 4.04Å; F431-M455 HydrophobicContact CG-CG 4.36Å
432	S	58.6	Low	70.6	Confident	30 Å²	30	69.6 Å²	69.6	21%	0.21	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	134.6	-176.8	60.5	0	0	0	0	111.7	G429 I450	G429-S432 CarbonylContact C-O 2.95Å; G429-S432 WeakPolarHBondContact CA-O 3.32Å; G429-S432 PolarHBondContact N-O 3.12Å; G429-S432 PolarHBondContact O-N 2.99Å; G429-S432 VanDerWaalsContact O-O 3.07Å; S432-I450 CarbonylContact C-O 3.6Å; S432-I450 WeakPolarHBondContact CA-O 3.44Å
433	V	71.2	Confident	72	Confident	42 Å²	42	62.1 Å²	62.1	26%	0.255	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.3	172.3	61.6	0	0	0	0	109.9	P425 E428 R435 I450	P425-V433 HydrophobicContact CB-CG2 4.09Å; E428-V433 HydrophobicContact CG-CG2 4.48Å; V433-R435 HydrophobicContact CG2-CG 4.3Å; V433-I450 HydrophobicContact CG1-CB 3.97Å; V433-I450 HydrophobicContact CG1-CD1 4.25Å; V433-I450 HydrophobicContact CG1-CG1 4.41Å; V433-I450 PolarHBondContact N-O 3.36Å; V433-I450 PolarHBondContact O-N 3.23Å
434	C	80.5	Confident	73.5	Confident	30 Å²	30	66.4 Å²	66.4	20%	0.203	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.9	172.5	-65.7	0	0	0	0	108.6	P425 L426 G427 V448	P425-C434 CarbonylContact C-O 3.5Å; L426-C434 HydrophobicContact CB-CB 4.1Å; L426-C434 PolarHBondContact N-O 2.85Å; G427-C434 PolarHBondContact N-O 3.31Å; G427-C434 PolarHBondContact O-N 2.75Å; C434-V448 WeakPolarHBondContact CA-O 3.13Å
435	R	84.1	Confident	75	Confident	45 Å²	45	63 Å²	63	17%	0.17	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	161.8	174.9	-88.6	-174.2	174.2	-82.8	-4	110.5	L419 D420 L421 G423 P425 V433 A447 V448	L419-R435 HydrophobicContact CD1-CB 3.8Å; D420-R435 PolarHBondContact O-NH1 3.13Å; L421-R435 PolarHBondContact O-NH1 2.9Å; G423-R435 PolarHBondContact O-NH1 3.24Å; P425-R435 HydrophobicContact CB-CG 4.44Å; V433-R435 HydrophobicContact CG2-CG 4.3Å; R435-A447 CarbonylContact O-C 3.5Å; R435-V448 HydrophobicContact CB-CG1 4.48Å; R435-V448 PolarHBondContact N-O 3.2Å; R435-V448 PolarHBondContact O-N 2.85Å
436	K	86.4	Confident	76	Confident	49 Å²	49	61.8 Å²	61.8	21%	0.213	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	142.9	168.9	178.9	-178.5	174	-160.2	0	109.4	D420 L426 E445 H446 L494	D420-K436 HydrophobicContact CB-CB 3.96Å; D420-K436 HydrophobicContact CB-CD 4.43Å; D420-K436 HydrophobicContact CB-CG 4.22Å; D420-K436 VanDerWaalsContact CB-O 3.3Å; D420-K436 WeakPolarHBondContact CB-O 3.41Å; D420-K436 PolarHBondContact N-O 3.2Å; D420-K436 IonicContact OD2-NZ 2.76Å; L426-K436 HydrophobicContact CD1-CB 4.27Å; K436-E445 WeakPolarHBondContact CE-OE1 3.27Å; K436-E445 WeakPolarHBondContact CE-OE2 3.18Å; K436-E445 IonicContact NZ-OE1 3.5Å; K436-E445 PolarHBondContact NZ-OE1 3.34Å; K436-E445 IonicContact NZ-OE2 3.38Å; K436-E445 PolarHBondContact NZ-OE2 2.96Å; K436-E445 VanDerWaalsContact NZ-OE2 3.12Å; K436-H446 WeakPolarHBondContact CA-O 3.14Å; K436-L494 HydrophobicContact CD-CD2 4.25Å; K436-L494 HydrophobicContact CG-CD2 4.06Å
437	C	87.7	Confident	76.8	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	163.1	169.8	62.9	0	0	0	0	111.1	F413 Y417 E418 L419 E445 H446 V448	F413-C437 HydrophobicContact CZ-CB 4.1Å; Y417-C437 HydrophobicContact CD1-CB 4.35Å; E418-C437 CarbonylContact O-C 3.53Å; E418-C437 WeakPolarHBondContact O-CA 3.3Å; E418-C437 WeakPolarHBondContact O-CB 3.32Å; L419-C437 HydrophobicContact CD1-CB 4.3Å; C437-E445 CarbonylContact O-C 3.6Å; C437-E445 WeakPolarHBondContact O-CA 3.41Å; C437-H446 PolarHBondContact N-O 2.7Å; C437-H446 PolarHBondContact O-N 3.36Å; C437-V448 HydrophobicContact CB-CB 4.49Å; C437-V448 HydrophobicContact CB-CG1 3.92Å
438	R	89.8	Confident	78	Confident	91 Å²	91	56.3 Å²	56.3	34%	0.343	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.2	177.2	-175.2	-177.2	-55	-65	-7.6	109.3	Y417 E418 K440 G443 H444 E445	Y417-R438 CarbonylContact C-O 3.6Å; Y417-R438 WeakPolarHBondContact CA-O 2.89Å; E418-R438 HydrophobicContact CB-CB 4.49Å; E418-R438 PolarHBondContact N-O 3.37Å; E418-R438 PolarHBondContact O-N 3.12Å; R438-K440 PolarHBondContact O-N 3.46Å; R438-G443 WeakPolarHBondContact CG-O 3.5Å; R438-G443 PolarHBondContact NH1-O 3.48Å; R438-H444 CarbonylContact C-O 3.5Å; R438-H444 WeakPolarHBondContact CA-O 3.46Å; R438-E445 IonicContact CZ-OE1 2.66Å; R438-E445 VanDerWaalsContact NH1-CG 3.3Å; R438-E445 IonicContact NH1-OE1 3.17Å; R438-E445 PolarHBondContact NH1-OE1 3.01Å; R438-E445 IonicContact NH2-OE1 2.68Å; R438-E445 PolarHBondContact NH2-OE1 3.32Å
439	H	91.6	Very high	79.6	Confident	21 Å²	21	50.1 Å²	50.1	10%	0.097	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127	172.5	-176.9	-115.6	0	0	0	109.9	H416 Y417 Q441 N442 G443 H444	H416-H439 CarbonylContact O-C 3.28Å; H416-H439 PolarHBondContact O-CD2 3.09Å; Y417-H439 HydrophobicContact CD1-CB 3.93Å; Y417-H439 HydrophobicContact CE1-CB 3.51Å; Y417-H439 AromaticContact CE1-CD2 3.92Å; Y417-H439 AromaticContact CE2-CD2 3.65Å; Y417-H439 AromaticContact CZ-CD2 3.51Å; H439-Q441 PolarHBondContact O-N 2.88Å; H439-N442 WeakPolarHBondContact CB-OD1 3.21Å; H439-N442 VanDerWaalsContact ND1-CG 3.31Å; H439-N442 PolarHBondContact ND1-ND2 3.13Å; H439-N442 PolarHBondContact ND1-OD1 3Å; H439-G443 VanDerWaalsContact O-CA 3.24Å; H439-G443 WeakPolarHBondContact O-CA 3.48Å; H439-G443 PolarHBondContact O-N 3.45Å; H439-H444 PolarHBondContact N-O 3.08Å
440	K	86.9	Confident	81.2	Confident	112 Å²	112	49 Å²	49	49%	0.487	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-27	-167.3	-72.1	179.2	168.6	178.1	0	114.2	F414 H416 Y417 E418 R438	F414-K440 PolarHBondContact O-NZ 2.88Å; H416-K440 WeakPolarHBondContact O-CB 3.45Å; H416-K440 PolarHBondContact O-N 3.15Å; Y417-K440 VanDerWaalsContact O-CE 3.3Å; Y417-K440 WeakPolarHBondContact O-CE 3.33Å; E418-K440 HydrophobicContact CB-CG 4.3Å; R438-K440 PolarHBondContact O-N 3.46Å
441	Q	87.4	Confident	82.3	Confident	157 Å²	157	45.4 Å²	45.4	73%	0.734	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-34.7	-175.7	-56.9	-179.2	-2.4	0	0	113.7	H439	H439-Q441 PolarHBondContact O-N 2.88Å
442	N	89	Confident	82.8	Confident	86 Å²	86	43.6 Å²	43.6	46%	0.46	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-5.3	-175.7	64.2	7.7	0	0	0	113.4	H439 H444	H439-N442 WeakPolarHBondContact CB-OD1 3.21Å; H439-N442 VanDerWaalsContact ND1-CG 3.31Å; H439-N442 PolarHBondContact ND1-ND2 3.13Å; H439-N442 PolarHBondContact ND1-OD1 3Å; N442-H444 PolarHBondContact O-CD2 2.94Å; N442-H444 PolarHBondContact O-N 3.25Å; N442-H444 WeakPolarHBondContact OD1-CB 3.49Å; N442-H444 PolarHBondContact OD1-N 3.11Å; N442-H444 VanDerWaalsContact OD1-N 3.1Å
443	G	86.3	Confident	82.7	Confident	32 Å²	32	45.5 Å²	45.5	33%	0.33	22%	0.221	S	C	.	.			trans	73.2	2.5	179.5	0	0	0	0	0	115.3	R438 H439	R438-G443 WeakPolarHBondContact CG-O 3.5Å; R438-G443 PolarHBondContact NH1-O 3.48Å; H439-G443 VanDerWaalsContact O-CA 3.24Å; H439-G443 WeakPolarHBondContact O-CA 3.48Å; H439-G443 PolarHBondContact O-N 3.45Å
444	H	90.3	Very high	81.3	Confident	114 Å²	114	44.3 Å²	44.3	53%	0.528	21%	0.211	S	C	.	.			trans	-66.9	144.7	-176.8	-76.1	-153.2	0	0	0	111.6	R438 H439 N442 H446	R438-H444 CarbonylContact C-O 3.5Å; R438-H444 WeakPolarHBondContact CA-O 3.46Å; H439-H444 PolarHBondContact N-O 3.08Å; N442-H444 PolarHBondContact O-CD2 2.94Å; N442-H444 PolarHBondContact O-N 3.25Å; N442-H444 WeakPolarHBondContact OD1-CB 3.49Å; N442-H444 PolarHBondContact OD1-N 3.11Å; N442-H444 VanDerWaalsContact OD1-N 3.1Å; H444-H446 PolarHBondContact O-CD2 2.86Å
445	E	92.7	Very high	79.7	Confident	46 Å²	46	45.7 Å²	45.7	22%	0.215	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.5	-178.2	-57.4	-170.2	147.2	0	0	111.1	K436 C437 R438 L494 R496	K436-E445 WeakPolarHBondContact CE-OE1 3.27Å; K436-E445 WeakPolarHBondContact CE-OE2 3.18Å; K436-E445 IonicContact NZ-OE1 3.5Å; K436-E445 PolarHBondContact NZ-OE1 3.34Å; K436-E445 IonicContact NZ-OE2 3.38Å; K436-E445 PolarHBondContact NZ-OE2 2.96Å; K436-E445 VanDerWaalsContact NZ-OE2 3.12Å; C437-E445 CarbonylContact O-C 3.6Å; C437-E445 WeakPolarHBondContact O-CA 3.41Å; R438-E445 IonicContact CZ-OE1 2.66Å; R438-E445 VanDerWaalsContact NH1-CG 3.3Å; R438-E445 IonicContact NH1-OE1 3.17Å; R438-E445 PolarHBondContact NH1-OE1 3.01Å; R438-E445 IonicContact NH2-OE1 2.68Å; R438-E445 PolarHBondContact NH2-OE1 3.32Å; E445-L494 HydrophobicContact CB-CD2 3.75Å; E445-R496 IonicContact OE2-CZ 2.78Å; E445-R496 IonicContact OE2-NH1 3.89Å; E445-R496 PolarHBondContact OE2-NH1 2.98Å; E445-R496 IonicContact OE2-NH2 3.12Å; E445-R496 PolarHBondContact OE2-NH2 3.38Å
446	H	93.6	Very high	78.5	Confident	15 Å²	15	46.3 Å²	46.3	7%	0.069	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	164	-175.6	-66.5	-94	0	0	0	110.3	Y417 K436 C437 H444 Y479 V491 M492	Y417-H446 HydrophobicContact CE1-CB 4.35Å; Y417-H446 AromaticContact CE1-CD2 3.75Å; K436-H446 WeakPolarHBondContact CA-O 3.14Å; C437-H446 PolarHBondContact N-O 2.7Å; C437-H446 PolarHBondContact O-N 3.36Å; H444-H446 PolarHBondContact O-CD2 2.86Å; H446-Y479 AromaticContact CE1-CD2 3.7Å; H446-Y479 AromaticContact CE1-CE2 3.78Å; H446-Y479 AromaticContact ND1-CD2 3.4Å; H446-Y479 WeakPolarHBondContact ND1-CD2 3.42Å; H446-Y479 AromaticContact ND1-CE2 3.6Å; H446-V491 HydrophobicContact CB-CG1 3.7Å; H446-M492 WeakPolarHBondContact CB-O 3.33Å
447	A	91.7	Very high	77	Confident	10 Å²	10	47.7 Å²	47.7	8%	0.083	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134	166.2	0	0	0	0	0	108.4	L426 R435 M492 L494	L426-A447 HydrophobicContact CD1-CB 3.87Å; R435-A447 CarbonylContact O-C 3.5Å; A447-M492 PolarHBondContact N-O 2.91Å; A447-M492 PolarHBondContact O-N 3.34Å; A447-L494 HydrophobicContact CB-CD1 4.1Å
448	V	88.6	Confident	75.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121	172.1	60.3	0	0	0	0	110	F413 L419 C434 R435 C437 I450 Y489 L490 V491	F413-V448 HydrophobicContact CE2-CB 4.23Å; F413-V448 HydrophobicContact CE2-CG1 4.49Å; F413-V448 HydrophobicContact CE2-CG2 3.8Å; F413-V448 HydrophobicContact CZ-CB 4.22Å; F413-V448 HydrophobicContact CZ-CG1 3.99Å; F413-V448 HydrophobicContact CZ-CG2 4Å; L419-V448 HydrophobicContact CD1-CG1 3.49Å; L419-V448 VanDerWaalsContact CD1-CG1 3.49Å; C434-V448 WeakPolarHBondContact CA-O 3.13Å; R435-V448 HydrophobicContact CB-CG1 4.48Å; R435-V448 PolarHBondContact N-O 3.2Å; R435-V448 PolarHBondContact O-N 2.85Å; C437-V448 HydrophobicContact CB-CB 4.49Å; C437-V448 HydrophobicContact CB-CG1 3.92Å; V448-I450 HydrophobicContact CG1-CD1 4.44Å; V448-I450 HydrophobicContact CG1-CG1 4.19Å; V448-I450 HydrophobicContact CG2-CG1 3.97Å; V448-Y489 HydrophobicContact CG2-CD1 4.07Å; V448-Y489 HydrophobicContact CG2-CG 4.5Å; V448-L490 WeakPolarHBondContact CA-O 3.43Å; V448-V491 HydrophobicContact CG2-CG2 4.35Å
449	K	85.2	Confident	74.6	Confident	9 Å²	9	46 Å²	46	4%	0.039	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	103.9	167.8	-175.1	177.5	-169.2	176.9	0	107.5	V451 E462 L490 M492 D559	K449-V451 HydrophobicContact CD-CG2 4.3Å; K449-V451 HydrophobicContact CG-CG2 3.83Å; K449-V451 PolarHBondContact O-N 3.25Å; K449-E462 IonicContact NZ-OE1 3.53Å; K449-E462 PolarHBondContact NZ-OE1 2.79Å; K449-E462 IonicContact NZ-OE2 2.72Å; K449-L490 HydrophobicContact CB-CB 4.29Å; K449-L490 PolarHBondContact N-O 3.05Å; K449-L490 PolarHBondContact O-N 2.79Å; K449-M492 HydrophobicContact CB-CE 3.69Å; K449-M492 HydrophobicContact CD-CE 4.47Å; K449-D559 IonicContact NZ-OD1 3.66Å; K449-D559 PolarHBondContact NZ-OD1 2.86Å; K449-D559 IonicContact NZ-OD2 2.7Å
450	I	76.4	Confident	73.9	Confident	20 Å²	20	49.2 Å²	49.2	10%	0.103	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	106	178.9	-50.6	178.6	0	0	0	106.7	L419 S432 V433 V448 H487 Y489	L419-I450 HydrophobicContact CD1-CD1 4.19Å; L419-I450 HydrophobicContact CD2-CD1 3.95Å; S432-I450 CarbonylContact C-O 3.6Å; S432-I450 WeakPolarHBondContact CA-O 3.44Å; V433-I450 HydrophobicContact CG1-CB 3.97Å; V433-I450 HydrophobicContact CG1-CD1 4.25Å; V433-I450 HydrophobicContact CG1-CG1 4.41Å; V433-I450 PolarHBondContact N-O 3.36Å; V433-I450 PolarHBondContact O-N 3.23Å; V448-I450 HydrophobicContact CG1-CD1 4.44Å; V448-I450 HydrophobicContact CG1-CG1 4.19Å; V448-I450 HydrophobicContact CG2-CG1 3.97Å; I450-H487 HydrophobicContact CG2-CB 4.01Å; I450-Y489 HydrophobicContact CB-CD1 4.42Å; I450-Y489 HydrophobicContact CD1-CD1 4.34Å; I450-Y489 HydrophobicContact CD1-CE1 4.16Å; I450-Y489 HydrophobicContact CG1-CD1 3.88Å; I450-Y489 HydrophobicContact CG1-CE1 4.1Å; I450-Y489 HydrophobicContact CG2-CD1 4.08Å; I450-Y489 HydrophobicContact CG2-CE1 3.81Å
451	V	64.8	Low	73.4	Confident	6 Å²	6	48.8 Å²	48.8	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.8	-178.9	-168.6	0	0	0	0	109.4	K449 R453 M455 T459 H487 T488 L490	K449-V451 HydrophobicContact CD-CG2 4.3Å; K449-V451 HydrophobicContact CG-CG2 3.83Å; K449-V451 PolarHBondContact O-N 3.25Å; V451-R453 PolarHBondContact O-N 3.49Å; V451-M455 HydrophobicContact CG1-CB 4.09Å; V451-T459 HydrophobicContact CB-CG2 4.22Å; V451-T459 HydrophobicContact CG1-CG2 4.35Å; V451-T459 WeakPolarHBondContact CG1-OG1 3.37Å; V451-T459 HydrophobicContact CG2-CG2 4.36Å; V451-H487 WeakPolarHBondContact O-CA 3.46Å; V451-T488 PolarHBondContact N-O 3Å; V451-T488 PolarHBondContact O-N 2.88Å; V451-L490 HydrophobicContact CG2-CD1 3.95Å
452	S	56.8	Low	73.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	134.4	173.1	-162.9	0	0	0	0	110.8	F431 R454 M455	F431-S452 PolarHBondContact O-N 3.29Å; F431-S452 VanDerWaalsContact O-N 3.15Å; S452-R454 PolarHBondContact O-N 3.45Å; S452-R454 WeakPolarHBondContact OG-CD 3.15Å; S452-R454 WeakPolarHBondContact OG-CG 3.22Å; S452-M455 PolarHBondContact O-N 2.79Å
453	R	56.4	Low	73.1	Confident	69 Å²	69	38.4 Å²	38.4	26%	0.26	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-56.3	-15	173.6	-77.5	-164.6	72.6	-174.8	-1.9	113.6	V451 M455 E456 T483 D484 Y486	V451-R453 PolarHBondContact O-N 3.49Å; R453-M455 PolarHBondContact O-N 3.31Å; R453-M455 VanDerWaalsContact O-N 3.08Å; R453-E456 IonicContact CZ-OE1 2.86Å; R453-E456 IonicContact CZ-OE2 2.78Å; R453-E456 IonicContact NE-OE1 2.82Å; R453-E456 PolarHBondContact NE-OE1 2.88Å; R453-E456 IonicContact NE-OE2 3.18Å; R453-E456 VanDerWaalsContact NH2-CD 3.31Å; R453-E456 IonicContact NH2-OE1 2.79Å; R453-E456 PolarHBondContact NH2-OE1 2.96Å; R453-E456 IonicContact NH2-OE2 3.33Å; R453-E456 PolarHBondContact NH2-OE2 3.11Å; R453-E456 WeakPolarHBondContact O-CB 3.38Å; R453-E456 PolarHBondContact O-N 2.84Å; R453-T483 HydrophobicContact CG-CG2 4.18Å; R453-D484 VanDerWaalsContact CD-O 3.27Å; R453-D484 WeakPolarHBondContact CD-O 3.48Å; R453-Y486 PolarHBondContact N-O 3.25Å
454	R	40.5	Very low	73	Confident	17 Å²	17	38.3 Å²	38.3	6%	0.064	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-50.3	-28.9	168.5	-59.9	-174.5	150.4	-167	18	114.9	T33 G34 H35 I372 L377 S452	T33-R454 VanDerWaalsContact CA-CD 3.49Å; T33-R454 VanDerWaalsContact CG2-NH1 3.33Å; T33-R454 PolarHBondContact O-NE 3.18Å; G34-R454 VanDerWaalsContact N-CA 3.33Å; H35-R454 PolarHBondContact CD2-NE 2.79Å; H35-R454 PolarHBondContact NE2-NE 2.78Å; I372-R454 VanDerWaalsContact CB-NH2 3.34Å; I372-R454 PolarHBondContact O-NH1 3.43Å; L377-R454 HydrophobicContact CD1-CG 4.34Å; S452-R454 PolarHBondContact O-N 3.45Å; S452-R454 WeakPolarHBondContact OG-CD 3.15Å; S452-R454 WeakPolarHBondContact OG-CG 3.22Å
455	M	47.3	Very low	72.7	Confident	59 Å²	59	32.9 Å²	32.9	29%	0.291	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-101.2	13.3	179.1	-65	-62.2	-73.8	0	0	112.7	F431 V451 S452 R453 A457 N458 T459	F431-M455 HydrophobicContact CB-CG 4.04Å; F431-M455 HydrophobicContact CG-CG 4.36Å; V451-M455 HydrophobicContact CG1-CB 4.09Å; S452-M455 PolarHBondContact O-N 2.79Å; R453-M455 PolarHBondContact O-N 3.31Å; R453-M455 VanDerWaalsContact O-N 3.08Å; M455-A457 VanDerWaalsContact C-N 3.27Å; M455-A457 PolarHBondContact O-N 3.23Å; M455-N458 HydrophobicContact CE-CB 4Å; M455-N458 WeakPolarHBondContact CE-ND2 3.37Å; M455-N458 CarbonylContact O-C 3.58Å; M455-N458 WeakPolarHBondContact O-CA 3.33Å; M455-N458 WeakPolarHBondContact O-CB 3.42Å; M455-N458 PolarHBondContact O-N 3.37Å; M455-T459 PolarHBondContact O-N 2.96Å; M455-T459 PolarHBondContact O-OG1 2.89Å; M455-T459 VanDerWaalsContact O-OG1 3.08Å
456	E	58.8	Low	72.5	Confident	59 Å²	59	30.7 Å²	30.7	28%	0.276	16%	0.159	S	C	.	.	H	α-helix	trans	-49.6	-39.7	-171.2	-177.2	161.8	-130	0	0	113.8	R453 N458 T459 Q460	R453-E456 IonicContact CZ-OE1 2.86Å; R453-E456 IonicContact CZ-OE2 2.78Å; R453-E456 IonicContact NE-OE1 2.82Å; R453-E456 PolarHBondContact NE-OE1 2.88Å; R453-E456 IonicContact NE-OE2 3.18Å; R453-E456 VanDerWaalsContact NH2-CD 3.31Å; R453-E456 IonicContact NH2-OE1 2.79Å; R453-E456 PolarHBondContact NH2-OE1 2.96Å; R453-E456 IonicContact NH2-OE2 3.33Å; R453-E456 PolarHBondContact NH2-OE2 3.11Å; R453-E456 WeakPolarHBondContact O-CB 3.38Å; R453-E456 PolarHBondContact O-N 2.84Å; E456-N458 VanDerWaalsContact C-N 3.29Å; E456-N458 PolarHBondContact O-N 3.45Å; E456-T459 PolarHBondContact O-N 2.94Å; E456-Q460 HydrophobicContact CG-CG 4.01Å; E456-Q460 VanDerWaalsContact O-CB 3.24Å; E456-Q460 WeakPolarHBondContact O-CB 3.22Å; E456-Q460 WeakPolarHBondContact O-CG 3.45Å; E456-Q460 PolarHBondContact O-N 2.81Å
457	A	54.7	Low	72.2	Confident	77 Å²	77	35 Å²	35	64%	0.636	18%	0.175	S	C	*	.	H	α-helix	trans	-68.5	-19.5	175	0	0	0	0	0	115.3	M455 R461	M455-A457 VanDerWaalsContact C-N 3.27Å; M455-A457 PolarHBondContact O-N 3.23Å; A457-R461 WeakPolarHBondContact O-CG 3.42Å; A457-R461 PolarHBondContact O-NE 3.5Å
458	N	58.5	Low	72	Confident	56 Å²	56	38.7 Å²	38.7	30%	0.299	19%	0.19	S	C	.	.	H	α-helix	trans	-91.6	-44.4	169.2	-70.6	32.8	0	0	0	110.7	M455 E456 Q460 R461 E462	M455-N458 HydrophobicContact CE-CB 4Å; M455-N458 WeakPolarHBondContact CE-ND2 3.37Å; M455-N458 CarbonylContact O-C 3.58Å; M455-N458 WeakPolarHBondContact O-CA 3.33Å; M455-N458 WeakPolarHBondContact O-CB 3.42Å; M455-N458 PolarHBondContact O-N 3.37Å; E456-N458 VanDerWaalsContact C-N 3.29Å; E456-N458 PolarHBondContact O-N 3.45Å; N458-Q460 VanDerWaalsContact C-N 3.32Å; N458-Q460 PolarHBondContact O-N 2.66Å; N458-R461 CarbonylContact O-C 3.42Å; N458-R461 WeakPolarHBondContact O-CA 3.22Å; N458-R461 WeakPolarHBondContact O-CB 3.46Å; N458-R461 PolarHBondContact O-N 3.39Å; N458-R461 PolarHBondContact OD1-NH2 3.04Å; N458-E462 PolarHBondContact O-N 3.21Å
459	T	70.1	Confident	71.9	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-38.8	179	-49.1	0	0	0	0	111.5	V451 M455 E456 R461 E462 I463 T488 L490	V451-T459 HydrophobicContact CB-CG2 4.22Å; V451-T459 HydrophobicContact CG1-CG2 4.35Å; V451-T459 WeakPolarHBondContact CG1-OG1 3.37Å; V451-T459 HydrophobicContact CG2-CG2 4.36Å; M455-T459 PolarHBondContact O-N 2.96Å; M455-T459 PolarHBondContact O-OG1 2.89Å; M455-T459 VanDerWaalsContact O-OG1 3.08Å; E456-T459 PolarHBondContact O-N 2.94Å; T459-R461 VanDerWaalsContact C-N 3.32Å; T459-R461 PolarHBondContact O-N 3.01Å; T459-E462 WeakPolarHBondContact O-CB 3.48Å; T459-E462 PolarHBondContact O-N 3.18Å; T459-I463 HydrophobicContact CG2-CD1 3.98Å; T459-I463 WeakPolarHBondContact O-CB 3.39Å; T459-I463 WeakPolarHBondContact O-CD1 3.4Å; T459-I463 WeakPolarHBondContact O-CG1 3.49Å; T459-I463 PolarHBondContact O-N 3.32Å; T459-T488 HydrophobicContact CG2-CG2 3.92Å; T459-L490 HydrophobicContact CG2-CD1 3.7Å
460	Q	76.9	Confident	71.7	Confident	89 Å²	89	40.8 Å²	40.8	42%	0.416	20%	0.2	S	C	.	.	H	α-helix	trans	-67.4	-30.7	172.9	-68.1	-64.5	-17	0	0	112.5	E456 N458 A464	E456-Q460 HydrophobicContact CG-CG 4.01Å; E456-Q460 VanDerWaalsContact O-CB 3.24Å; E456-Q460 WeakPolarHBondContact O-CB 3.22Å; E456-Q460 WeakPolarHBondContact O-CG 3.45Å; E456-Q460 PolarHBondContact O-N 2.81Å; N458-Q460 VanDerWaalsContact C-N 3.32Å; N458-Q460 PolarHBondContact O-N 2.66Å; Q460-A464 WeakPolarHBondContact O-CB 3.14Å; Q460-A464 PolarHBondContact O-N 2.99Å
461	R	75.2	Confident	72.1	Confident	102 Å²	102	44 Å²	44	39%	0.385	23%	0.23	S	C	.	.	H	α-helix	trans	-73.1	-37.9	172	-73.1	-175.9	-71.2	141.2	-9.8	112	A457 N458 T459 A464 A465	A457-R461 WeakPolarHBondContact O-CG 3.42Å; A457-R461 PolarHBondContact O-NE 3.5Å; N458-R461 CarbonylContact O-C 3.42Å; N458-R461 WeakPolarHBondContact O-CA 3.22Å; N458-R461 WeakPolarHBondContact O-CB 3.46Å; N458-R461 PolarHBondContact O-N 3.39Å; N458-R461 PolarHBondContact OD1-NH2 3.04Å; T459-R461 VanDerWaalsContact C-N 3.32Å; T459-R461 PolarHBondContact O-N 3.01Å; R461-A464 PolarHBondContact O-N 3.42Å; R461-A465 VanDerWaalsContact O-CB 3.26Å; R461-A465 WeakPolarHBondContact O-CB 3.5Å; R461-A465 PolarHBondContact O-N 2.68Å
462	E	84.9	Confident	73.3	Confident	9 Å²	9	44.9 Å²	44.9	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-48.1	173.2	176.7	172.1	-161.1	0	0	111.1	K449 N458 T459 A464 A465 L466 L490 F560 G561	K449-E462 IonicContact NZ-OE1 3.53Å; K449-E462 PolarHBondContact NZ-OE1 2.79Å; K449-E462 IonicContact NZ-OE2 2.72Å; N458-E462 PolarHBondContact O-N 3.21Å; T459-E462 WeakPolarHBondContact O-CB 3.48Å; T459-E462 PolarHBondContact O-N 3.18Å; E462-A464 PolarHBondContact O-N 3.22Å; E462-A465 PolarHBondContact O-N 2.8Å; E462-L466 HydrophobicContact CG-CD1 4.08Å; E462-L466 WeakPolarHBondContact O-CB 3.43Å; E462-L466 VanDerWaalsContact O-CG 3.31Å; E462-L466 WeakPolarHBondContact O-CG 3.19Å; E462-L466 PolarHBondContact O-N 2.74Å; E462-L490 HydrophobicContact CG-CD2 4.29Å; E462-F560 HydrophobicContact CG-CB 3.97Å; E462-G561 PolarHBondContact OE1-N 2.76Å
463	I	84.9	Confident	75	Confident	16 Å²	16	48.8 Å²	48.8	8%	0.082	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-47.1	173.3	-68.9	158.8	0	0	0	110.6	T459 L466 R467 L478 V481 T488 L490	T459-I463 HydrophobicContact CG2-CD1 3.98Å; T459-I463 WeakPolarHBondContact O-CB 3.39Å; T459-I463 WeakPolarHBondContact O-CD1 3.4Å; T459-I463 WeakPolarHBondContact O-CG1 3.49Å; T459-I463 PolarHBondContact O-N 3.32Å; I463-L466 PolarHBondContact O-N 2.72Å; I463-R467 HydrophobicContact CG2-CG 4.28Å; I463-R467 WeakPolarHBondContact O-CB 3.35Å; I463-R467 VanDerWaalsContact O-CG 3.29Å; I463-R467 WeakPolarHBondContact O-CG 3.14Å; I463-R467 PolarHBondContact O-N 3.48Å; I463-L478 HydrophobicContact CG2-CD2 4.18Å; I463-V481 HydrophobicContact CD1-CG1 3.72Å; I463-V481 HydrophobicContact CD1-CG2 4.26Å; I463-V481 HydrophobicContact CG1-CG1 4.47Å; I463-V481 HydrophobicContact CG1-CG2 4.13Å; I463-V481 HydrophobicContact CG2-CG2 4.19Å; I463-T488 HydrophobicContact CD1-CG2 4.13Å; I463-L490 HydrophobicContact CG1-CD2 3.9Å; I463-L490 HydrophobicContact CG1-CG 4.12Å
464	A	84.7	Confident	76.7	Confident	31 Å²	31	46.3 Å²	46.3	26%	0.256	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-38.8	179.4	0	0	0	0	0	112.5	Q460 R461 E462 Q468 L565	Q460-A464 WeakPolarHBondContact O-CB 3.14Å; Q460-A464 PolarHBondContact O-N 2.99Å; R461-A464 PolarHBondContact O-N 3.42Å; E462-A464 PolarHBondContact O-N 3.22Å; A464-Q468 WeakPolarHBondContact O-CB 2.97Å; A464-Q468 VanDerWaalsContact O-CG 3.27Å; A464-Q468 WeakPolarHBondContact O-CG 3.49Å; A464-Q468 PolarHBondContact O-N 2.93Å; A464-L565 HydrophobicContact CB-CD1 3.88Å
465	A	83.9	Confident	79.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-48.5	173.3	0	0	0	0	0	111.3	R461 E462 R467 Q468 C469 V534 F560 A563 L565	R461-A465 VanDerWaalsContact O-CB 3.26Å; R461-A465 WeakPolarHBondContact O-CB 3.5Å; R461-A465 PolarHBondContact O-N 2.68Å; E462-A465 PolarHBondContact O-N 2.8Å; A465-R467 PolarHBondContact O-N 3.1Å; A465-Q468 PolarHBondContact O-N 3Å; A465-C469 VanDerWaalsContact O-CB 3.3Å; A465-C469 WeakPolarHBondContact O-CB 3.31Å; A465-C469 PolarHBondContact O-N 3.06Å; A465-C469 PolarHBondContact O-SG 2.72Å; A465-V534 HydrophobicContact CB-CG1 3.83Å; A465-V534 HydrophobicContact CB-CG2 4.38Å; A465-F560 HydrophobicContact CB-CD1 4Å; A465-A563 HydrophobicContact CB-CB 4.24Å; A465-L565 HydrophobicContact CB-CD2 4.06Å
466	L	87.9	Confident	81.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-44.9	175.7	-74.9	169.5	0	0	0	112	E462 I463 Q468 C469 E470 V476 L478 L490 F560	E462-L466 HydrophobicContact CG-CD1 4.08Å; E462-L466 WeakPolarHBondContact O-CB 3.43Å; E462-L466 VanDerWaalsContact O-CG 3.31Å; E462-L466 WeakPolarHBondContact O-CG 3.19Å; E462-L466 PolarHBondContact O-N 2.74Å; I463-L466 PolarHBondContact O-N 2.72Å; L466-Q468 PolarHBondContact O-N 3.42Å; L466-C469 CarbonylContact O-C 3.54Å; L466-C469 PolarHBondContact O-N 3.13Å; L466-C469 VanDerWaalsContact O-N 3.12Å; L466-E470 WeakPolarHBondContact O-CA 3.47Å; L466-E470 WeakPolarHBondContact O-CB 3.42Å; L466-E470 PolarHBondContact O-N 3.49Å; L466-V476 HydrophobicContact CD2-CG1 3.58Å; L466-L478 HydrophobicContact CB-CB 4.31Å; L466-L478 HydrophobicContact CB-CD2 4Å; L466-L478 HydrophobicContact CD1-CD2 4.19Å; L466-L490 HydrophobicContact CD1-CD2 4.04Å; L466-F560 HydrophobicContact CD2-CB 4.35Å; L466-F560 HydrophobicContact CD2-CD2 3.46Å; L466-F560 VanDerWaalsContact CD2-CD2 3.46Å; L466-F560 HydrophobicContact CD2-CE2 3.85Å; L466-F560 HydrophobicContact CD2-CG 3.9Å; L466-F560 HydrophobicContact CG-CB 4.19Å; L466-F560 HydrophobicContact CG-CD2 4.22Å; L466-F560 HydrophobicContact CG-CG 4.19Å
467	R	89.1	Confident	82.9	Confident	104 Å²	104	44 Å²	44	39%	0.392	24%	0.239	S	C	.	.	H	α-helix	trans	-67.1	-33	177.5	-71	-64	-174.2	-162.1	-5.5	113.3	I463 A465 C469 E470 L478 Y479	I463-R467 HydrophobicContact CG2-CG 4.28Å; I463-R467 WeakPolarHBondContact O-CB 3.35Å; I463-R467 VanDerWaalsContact O-CG 3.29Å; I463-R467 WeakPolarHBondContact O-CG 3.14Å; I463-R467 PolarHBondContact O-N 3.48Å; A465-R467 PolarHBondContact O-N 3.1Å; R467-C469 VanDerWaalsContact C-N 3.31Å; R467-E470 VanDerWaalsContact CD-OE2 3.28Å; R467-E470 WeakPolarHBondContact CD-OE2 3.49Å; R467-E470 IonicContact CZ-OE2 2.91Å; R467-E470 IonicContact NE-OE2 3.64Å; R467-E470 IonicContact NH1-OE1 3.54Å; R467-E470 PolarHBondContact NH1-OE1 3.18Å; R467-E470 IonicContact NH1-OE2 2.72Å; R467-E470 PolarHBondContact NH1-OE2 3.39Å; R467-L478 HydrophobicContact CG-CD2 4.33Å; R467-L478 PolarHBondContact NH1-O 2.99Å; R467-L478 PolarHBondContact NH2-O 3.45Å; R467-Y479 PolarHBondContact NH2-O 2.65Å
468	Q	85.8	Confident	84.7	Confident	88 Å²	88	40.3 Å²	40.3	41%	0.411	21%	0.209	S	C	.	.	H	α-helix	trans	-71.2	-28.5	171.2	-74	173	18.6	0	0	112.1	A464 A465 L466 A532 V534	A464-Q468 WeakPolarHBondContact O-CB 2.97Å; A464-Q468 VanDerWaalsContact O-CG 3.27Å; A464-Q468 WeakPolarHBondContact O-CG 3.49Å; A464-Q468 PolarHBondContact O-N 2.93Å; A465-Q468 PolarHBondContact O-N 3Å; L466-Q468 PolarHBondContact O-N 3.42Å; Q468-A532 PolarHBondContact OE1-O 3.2Å; Q468-V534 HydrophobicContact CB-CG2 4.24Å
469	C	87	Confident	86.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-97.9	-6.4	-176.6	-65.8	0	0	0	0	115.2	A465 L466 R467 A471 H472 I475 F560	A465-C469 VanDerWaalsContact O-CB 3.3Å; A465-C469 WeakPolarHBondContact O-CB 3.31Å; A465-C469 PolarHBondContact O-N 3.06Å; A465-C469 PolarHBondContact O-SG 2.72Å; L466-C469 CarbonylContact O-C 3.54Å; L466-C469 PolarHBondContact O-N 3.13Å; L466-C469 VanDerWaalsContact O-N 3.12Å; R467-C469 VanDerWaalsContact C-N 3.31Å; C469-A471 PolarHBondContact O-N 3.25Å; C469-H472 PolarHBondContact O-N 2.73Å; C469-H472 VanDerWaalsContact O-N 3.12Å; C469-I475 HydrophobicContact CB-CD1 3.7Å; C469-I475 HydrophobicContact CB-CG2 3.94Å; C469-F560 HydrophobicContact CB-CE1 4.42Å
470	E	81.4	Confident	87.3	Confident	53 Å²	53	44.8 Å²	44.8	25%	0.248	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.9	-168.4	-157.2	-174	152.9	0	0	114.7	L466 R467 H472 K477	L466-E470 WeakPolarHBondContact O-CA 3.47Å; L466-E470 WeakPolarHBondContact O-CB 3.42Å; L466-E470 PolarHBondContact O-N 3.49Å; R467-E470 VanDerWaalsContact CD-OE2 3.28Å; R467-E470 WeakPolarHBondContact CD-OE2 3.49Å; R467-E470 IonicContact CZ-OE2 2.91Å; R467-E470 IonicContact NE-OE2 3.64Å; R467-E470 IonicContact NH1-OE1 3.54Å; R467-E470 PolarHBondContact NH1-OE1 3.18Å; R467-E470 IonicContact NH1-OE2 2.72Å; R467-E470 PolarHBondContact NH1-OE2 3.39Å; E470-H472 VanDerWaalsContact C-N 3.31Å; E470-H472 PolarHBondContact O-N 3.49Å; E470-K477 HydrophobicContact CG-CG 4.04Å; E470-K477 WeakPolarHBondContact OE1-CE 3.37Å
471	A	84.1	Confident	87.9	Confident	89 Å²	89	42.9 Å²	42.9	74%	0.736	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.8	179.5	0	0	0	0	0	114	C469 F528	C469-A471 PolarHBondContact O-N 3.25Å; A471-F528 HydrophobicContact CB-CZ 4.11Å
472	H	91.4	Very high	88.4	Confident	23 Å²	23	39 Å²	39	11%	0.106	21%	0.207	C	C	.	.			trans	-89.1	130.6	-175.4	-165.7	-85.9	0	0	0	112.3	C469 E470 N474 I475 S521 S524 A525 F528	C469-H472 PolarHBondContact O-N 2.73Å; C469-H472 VanDerWaalsContact O-N 3.12Å; E470-H472 VanDerWaalsContact C-N 3.31Å; E470-H472 PolarHBondContact O-N 3.49Å; H472-N474 WeakPolarHBondContact CE1-CB 3.33Å; H472-N474 PolarHBondContact CE1-OD1 3.04Å; H472-N474 PolarHBondContact ND1-N 3.42Å; H472-N474 PolarHBondContact O-N 3.1Å; H472-I475 HydrophobicContact CB-CB 4.34Å; H472-I475 HydrophobicContact CB-CD1 3.91Å; H472-I475 HydrophobicContact CB-CG1 4.09Å; H472-I475 PolarHBondContact O-N 3.12Å; H472-S521 PolarHBondContact CE1-O 3.44Å; H472-S524 WeakPolarHBondContact CE1-CB 3.46Å; H472-S524 PolarHBondContact CE1-OG 2.93Å; H472-S524 WeakPolarHBondContact NE2-CA 3.38Å; H472-S524 WeakPolarHBondContact NE2-CB 3.12Å; H472-S524 PolarHBondContact NE2-O 3.22Å; H472-S524 PolarHBondContact NE2-OG 3.08Å; H472-A525 VanDerWaalsContact CE1-CA 3.46Å; H472-A525 WeakPolarHBondContact CE1-CA 3.46Å; H472-A525 PolarHBondContact CE1-N 2.72Å; H472-F528 HydrophobicContact CB-CB 4.23Å; H472-F528 HydrophobicContact CB-CD1 3.73Å; H472-F528 HydrophobicContact CB-CD2 4.38Å; H472-F528 HydrophobicContact CB-CE1 4.19Å; H472-F528 HydrophobicContact CB-CG 3.84Å; H472-F528 WeakPolarHBondContact CD2-CB 3.34Å; H472-F528 AromaticContact CD2-CD2 3.76Å; H472-F528 AromaticContact CD2-CG 3.55Å; H472-F528 AromaticContact CG-CG 3.95Å
473	P	90.6	Very high	87.9	Confident	82 Å²	82	41.3 Å²	41.3	53%	0.532	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.4	-175.2	25.2	-35	0	0	0	113.9	K556	P473-K556 WeakPolarHBondContact O-CE 3.4Å; P473-K556 PolarHBondContact O-NZ 3.04Å
474	N	93.3	Very high	87	Confident	17 Å²	17	42 Å²	42	9%	0.091	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	18.7	-178.7	-54.5	104	0	0	0	113.4	H472 A525 L555 K556 V557	H472-N474 WeakPolarHBondContact CE1-CB 3.33Å; H472-N474 PolarHBondContact CE1-OD1 3.04Å; H472-N474 PolarHBondContact ND1-N 3.42Å; H472-N474 PolarHBondContact O-N 3.1Å; N474-A525 HydrophobicContact CB-CB 4Å; N474-L555 VanDerWaalsContact CA-O 3.31Å; N474-L555 WeakPolarHBondContact CA-O 3.47Å; N474-L555 VanDerWaalsContact CB-O 3.29Å; N474-L555 WeakPolarHBondContact CB-O 3.44Å; N474-L555 PolarHBondContact ND2-O 3.24Å; N474-K556 VanDerWaalsContact O-CA 3.31Å; N474-K556 WeakPolarHBondContact O-CA 3.26Å; N474-V557 PolarHBondContact O-N 2.95Å
475	I	92.2	Very high	85.4	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-121.2	146	175.3	-63.2	179.5	0	0	0	109.3	C469 H472 K477 A525 M529 K556 F560	C469-I475 HydrophobicContact CB-CD1 3.7Å; C469-I475 HydrophobicContact CB-CG2 3.94Å; H472-I475 HydrophobicContact CB-CB 4.34Å; H472-I475 HydrophobicContact CB-CD1 3.91Å; H472-I475 HydrophobicContact CB-CG1 4.09Å; H472-I475 PolarHBondContact O-N 3.12Å; I475-K477 PolarHBondContact O-N 2.77Å; I475-A525 HydrophobicContact CD1-CB 4.38Å; I475-A525 HydrophobicContact CG1-CB 4.04Å; I475-M529 HydrophobicContact CD1-CE 4.12Å; I475-M529 HydrophobicContact CD1-CG 3.74Å; I475-M529 HydrophobicContact CD1-SD 4.46Å; I475-M529 HydrophobicContact CG1-CE 4.48Å; I475-K556 PolarHBondContact O-NZ 3.09Å; I475-F560 HydrophobicContact CD1-CZ 4.33Å; I475-F560 HydrophobicContact CG1-CZ 4.47Å; I475-F560 HydrophobicContact CG2-CE2 3.77Å; I475-F560 HydrophobicContact CG2-CZ 3.56Å
476	V	92.7	Very high	83.8	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.018	26%	0.259	C	S	.	.			trans	-63.9	128	-179.4	73.1	0	0	0	0	111.5	L466 M492 E493 V557 I558	L466-V476 HydrophobicContact CD2-CG1 3.58Å; V476-M492 HydrophobicContact CG1-SD 4.37Å; V476-M492 HydrophobicContact CG2-CB 4.11Å; V476-E493 VanDerWaalsContact CA-OE1 3.23Å; V476-E493 WeakPolarHBondContact CA-OE1 3.46Å; V476-E493 HydrophobicContact CG2-CG 3.74Å; V476-V557 WeakPolarHBondContact CB-O 3.16Å; V476-V557 PolarHBondContact N-O 3.3Å; V476-I558 HydrophobicContact CB-CB 4.44Å; V476-I558 HydrophobicContact CB-CG2 4.22Å; V476-I558 HydrophobicContact CG2-CG2 4.38Å
477	K	91.4	Very high	82.8	Confident	81 Å²	81	52.5 Å²	52.5	35%	0.352	27%	0.267	S	S	.	.			trans	-77.5	128.9	176.4	-174.9	164.2	-175.7	165.4	0	111.3	E470 I475 Y479 M492 E493	E470-K477 HydrophobicContact CG-CG 4.04Å; E470-K477 WeakPolarHBondContact OE1-CE 3.37Å; I475-K477 PolarHBondContact O-N 2.77Å; K477-Y479 HydrophobicContact CD-CD1 4.5Å; K477-Y479 HydrophobicContact CD-CE1 3.94Å; K477-Y479 HydrophobicContact CG-CE1 4.44Å; K477-M492 CarbonylContact O-C 3.57Å; K477-M492 WeakPolarHBondContact O-CA 3.2Å; K477-E493 HydrophobicContact CB-CB 4.49Å; K477-E493 HydrophobicContact CB-CG 4.24Å; K477-E493 PolarHBondContact N-OE1 2.72Å; K477-E493 PolarHBondContact O-N 2.92Å
478	L	93.2	Very high	82.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	105.6	171.8	179.7	64.6	0	0	0	109.3	I463 L466 R467 V481 L490 M492	I463-L478 HydrophobicContact CG2-CD2 4.18Å; L466-L478 HydrophobicContact CB-CB 4.31Å; L466-L478 HydrophobicContact CB-CD2 4Å; L466-L478 HydrophobicContact CD1-CD2 4.19Å; R467-L478 HydrophobicContact CG-CD2 4.33Å; R467-L478 PolarHBondContact NH1-O 2.99Å; R467-L478 PolarHBondContact NH2-O 3.45Å; L478-V481 HydrophobicContact CD1-CG2 4.03Å; L478-V481 HydrophobicContact CD2-CG2 3.79Å; L478-V481 HydrophobicContact CG-CG2 4.11Å; L478-L490 HydrophobicContact CD1-CB 3.78Å; L478-L490 HydrophobicContact CD1-CD2 4.36Å; L478-L490 HydrophobicContact CD1-CG 4.17Å; L478-M492 HydrophobicContact CD1-CG 3.99Å
479	Y	91.4	Very high	82	Confident	88 Å²	88	43.9 Å²	43.9	35%	0.345	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-71	176.4	-68.7	-77.9	0	0	0	110.5	H446 R467 K477 V491 E493	H446-Y479 AromaticContact CE1-CD2 3.7Å; H446-Y479 AromaticContact CE1-CE2 3.78Å; H446-Y479 AromaticContact ND1-CD2 3.4Å; H446-Y479 WeakPolarHBondContact ND1-CD2 3.42Å; H446-Y479 AromaticContact ND1-CE2 3.6Å; R467-Y479 PolarHBondContact NH2-O 2.65Å; K477-Y479 HydrophobicContact CD-CD1 4.5Å; K477-Y479 HydrophobicContact CD-CE1 3.94Å; K477-Y479 HydrophobicContact CG-CE1 4.44Å; Y479-V491 PolarHBondContact N-O 2.64Å; Y479-E493 HydrophobicContact CE2-CB 3.77Å
480	D	90.8	Very high	82.1	Confident	64 Å²	64	43.9 Å²	43.9	34%	0.342	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.2	-172.5	-65.9	-54.6	0	0	0	112	Y417 F482 V491	Y417-D480 PolarHBondContact OH-OD2 2.98Å; D480-F482 HydrophobicContact CB-CD2 4.17Å; D480-F482 HydrophobicContact CB-CE2 3.44Å; D480-F482 VanDerWaalsContact CB-CE2 3.44Å; D480-F482 HydrophobicContact CB-CZ 3.88Å; D480-V491 HydrophobicContact CB-CB 4.11Å; D480-V491 HydrophobicContact CB-CG2 4.26Å; D480-V491 PolarHBondContact N-O 2.85Å; D480-V491 PolarHBondContact O-N 2.84Å
481	V	90.1	Very high	82.7	Confident	48 Å²	48	41.4 Å²	41.4	29%	0.291	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.9	168.8	-179.7	0	0	0	0	107.9	I463 L478 T488 Y489	I463-V481 HydrophobicContact CD1-CG1 3.72Å; I463-V481 HydrophobicContact CD1-CG2 4.26Å; I463-V481 HydrophobicContact CG1-CG1 4.47Å; I463-V481 HydrophobicContact CG1-CG2 4.13Å; I463-V481 HydrophobicContact CG2-CG2 4.19Å; L478-V481 HydrophobicContact CD1-CG2 4.03Å; L478-V481 HydrophobicContact CD2-CG2 3.79Å; L478-V481 HydrophobicContact CG-CG2 4.11Å; V481-T488 HydrophobicContact CG1-CG2 3.8Å; V481-Y489 WeakPolarHBondContact CA-O 3.38Å
482	F	84.8	Confident	83.1	Confident	22 Å²	22	37.7 Å²	37.7	10%	0.096	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146	170.9	-57.1	-85	0	0	0	109.4	Q412 F413 H416 Y417 D480 T488 Y489 V491	Q412-F482 HydrophobicContact CB-CD1 3.86Å; Q412-F482 HydrophobicContact CB-CE1 4.46Å; F413-F482 HydrophobicContact CB-CB 3.89Å; F413-F482 HydrophobicContact CB-CD2 4.13Å; F413-F482 HydrophobicContact CB-CG 4.02Å; F413-F482 AromaticContact CD2-CD2 3.82Å; F413-F482 HydrophobicContact CD2-CD2 3.82Å; F413-F482 HydrophobicContact CD2-CE2 4.3Å; F413-F482 HydrophobicContact CG-CD2 4.48Å; H416-F482 HydrophobicContact CB-CZ 4.12Å; H416-F482 AromaticContact ND1-CE1 3.87Å; Y417-F482 AromaticContact CD2-CE2 3.77Å; Y417-F482 HydrophobicContact CD2-CE2 3.77Å; Y417-F482 HydrophobicContact CD2-CZ 4.2Å; Y417-F482 AromaticContact CE2-CE2 3.59Å; Y417-F482 HydrophobicContact CE2-CE2 3.59Å; Y417-F482 AromaticContact CE2-CZ 3.94Å; Y417-F482 HydrophobicContact CE2-CZ 3.94Å; D480-F482 HydrophobicContact CB-CD2 4.17Å; D480-F482 HydrophobicContact CB-CE2 3.44Å; D480-F482 VanDerWaalsContact CB-CE2 3.44Å; D480-F482 HydrophobicContact CB-CZ 3.88Å; F482-T488 CarbonylContact O-C 3.5Å; F482-T488 WeakPolarHBondContact O-CA 3.36Å; F482-Y489 HydrophobicContact CB-CD2 4.27Å; F482-Y489 PolarHBondContact N-O 3.07Å; F482-Y489 PolarHBondContact O-N 3.04Å; F482-V491 HydrophobicContact CD2-CG2 4.12Å; F482-V491 HydrophobicContact CE2-CG2 4.03Å
483	T	75.8	Confident	83.1	Confident	56 Å²	56	38 Å²	38	34%	0.344	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127	171.8	-62.7	0	0	0	0	107.9	R453 H487 T488	R453-T483 HydrophobicContact CG-CG2 4.18Å; T483-H487 WeakPolarHBondContact CA-O 3.39Å; T483-T488 PolarHBondContact OG1-OG1 3.39Å
484	D	65.7	Low	83.2	Confident	31 Å²	31	35.3 Å²	35.3	17%	0.166	17%	0.169	C	C	.	.			trans	-108.9	-160.2	168.9	69.5	26.1	0	0	0	111.1	S411 R453 Y486 H487 Y489	S411-D484 PolarHBondContact OG-OD2 2.78Å; R453-D484 VanDerWaalsContact CD-O 3.27Å; R453-D484 WeakPolarHBondContact CD-O 3.48Å; D484-Y486 PolarHBondContact O-N 2.99Å; D484-Y486 PolarHBondContact OD1-N 3.27Å; D484-H487 PolarHBondContact N-O 2.77Å; D484-H487 PolarHBondContact OD1-N 2.96Å; D484-Y489 VanDerWaalsContact OD2-CE2 3.3Å; D484-Y489 WeakPolarHBondContact OD2-CE2 3.41Å; D484-Y489 PolarHBondContact OD2-OH 2.95Å; D484-Y489 VanDerWaalsContact OD2-OH 3.07Å
485	Q	50.2	Low	83.1	Confident	140 Å²	140	35.7 Å²	35.7	65%	0.654	17%	0.171	S	C	*	.	S	Bend	trans	-68.8	-21.9	-177.4	-58.8	-175.3	18.8	0	0	112.4
486	Y	51.2	Low	82.9	Confident	76 Å²	76	41.6 Å²	41.6	30%	0.298	19%	0.193	S	C	.	.	S	Bend	trans	-123.4	-35	-168.7	-54.1	-73	0	0	0	113.5	M407 R453 D484	M407-Y486 HydrophobicContact CE-CE2 3.88Å; R453-Y486 PolarHBondContact N-O 3.25Å; D484-Y486 PolarHBondContact O-N 2.99Å; D484-Y486 PolarHBondContact OD1-N 3.27Å
487	H	66	Low	82.5	Confident	36 Å²	36	41.9 Å²	41.9	17%	0.167	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.1	-171.1	-57.8	100.6	0	0	0	113.5	F378 I450 V451 T483 D484 Y489	F378-H487 AromaticContact CE1-NE2 3.46Å; F378-H487 WeakPolarHBondContact CE1-NE2 3.34Å; F378-H487 AromaticContact CZ-NE2 3.89Å; I450-H487 HydrophobicContact CG2-CB 4.01Å; V451-H487 WeakPolarHBondContact O-CA 3.46Å; T483-H487 WeakPolarHBondContact CA-O 3.39Å; D484-H487 PolarHBondContact N-O 2.77Å; D484-H487 PolarHBondContact OD1-N 2.96Å; H487-Y489 HydrophobicContact CB-CD2 4.29Å; H487-Y489 HydrophobicContact CB-CE1 4.48Å; H487-Y489 HydrophobicContact CB-CE2 3.63Å
488	T	74.4	Confident	82.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.5	163.2	-58.8	0	0	0	0	108	V451 T459 I463 V481 F482 T483 L490	V451-T488 PolarHBondContact N-O 3Å; V451-T488 PolarHBondContact O-N 2.88Å; T459-T488 HydrophobicContact CG2-CG2 3.92Å; I463-T488 HydrophobicContact CD1-CG2 4.13Å; V481-T488 HydrophobicContact CG1-CG2 3.8Å; F482-T488 CarbonylContact O-C 3.5Å; F482-T488 WeakPolarHBondContact O-CA 3.36Å; T483-T488 PolarHBondContact OG1-OG1 3.39Å; T488-L490 HydrophobicContact CG2-CD1 3.92Å
489	Y	83.9	Confident	82	Confident	11 Å²	11	42 Å²	42	4%	0.043	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	112.2	-177.6	-56.9	-100	0	0	0	108.3	F413 F414 V448 I450 V481 F482 D484 H487	F413-Y489 HydrophobicContact CB-CD1 4.15Å; F413-Y489 HydrophobicContact CB-CD2 3.87Å; F413-Y489 HydrophobicContact CB-CE1 4.45Å; F413-Y489 HydrophobicContact CB-CE2 4.18Å; F413-Y489 HydrophobicContact CB-CG 3.88Å; F413-Y489 AromaticContact CD1-CD1 3.55Å; F413-Y489 HydrophobicContact CD1-CD1 3.55Å; F413-Y489 AromaticContact CD1-CE1 3.63Å; F413-Y489 HydrophobicContact CD1-CE1 3.63Å; F413-Y489 HydrophobicContact CD1-CG 4.15Å; F413-Y489 AromaticContact CD2-CD1 3.97Å; F413-Y489 HydrophobicContact CD2-CD1 3.97Å; F413-Y489 AromaticContact CD2-CG 3.97Å; F413-Y489 HydrophobicContact CD2-CG 3.97Å; F413-Y489 AromaticContact CE1-CD1 3.91Å; F413-Y489 HydrophobicContact CE1-CD1 3.91Å; F413-Y489 HydrophobicContact CE1-CE1 4.09Å; F413-Y489 HydrophobicContact CE2-CD1 4.3Å; F413-Y489 AromaticContact CG-CD1 3.59Å; F413-Y489 HydrophobicContact CG-CD1 3.59Å; F413-Y489 HydrophobicContact CG-CD2 4.21Å; F413-Y489 HydrophobicContact CG-CE1 4.05Å; F413-Y489 AromaticContact CG-CG 3.7Å; F413-Y489 HydrophobicContact CG-CG 3.7Å; F413-Y489 HydrophobicContact CZ-CD1 4.28Å; F414-Y489 HydrophobicContact CE2-CE1 4.25Å; V448-Y489 HydrophobicContact CG2-CD1 4.07Å; V448-Y489 HydrophobicContact CG2-CG 4.5Å; I450-Y489 HydrophobicContact CB-CD1 4.42Å; I450-Y489 HydrophobicContact CD1-CD1 4.34Å; I450-Y489 HydrophobicContact CD1-CE1 4.16Å; I450-Y489 HydrophobicContact CG1-CD1 3.88Å; I450-Y489 HydrophobicContact CG1-CE1 4.1Å; I450-Y489 HydrophobicContact CG2-CD1 4.08Å; I450-Y489 HydrophobicContact CG2-CE1 3.81Å; V481-Y489 WeakPolarHBondContact CA-O 3.38Å; F482-Y489 HydrophobicContact CB-CD2 4.27Å; F482-Y489 PolarHBondContact N-O 3.07Å; F482-Y489 PolarHBondContact O-N 3.04Å; D484-Y489 VanDerWaalsContact OD2-CE2 3.3Å; D484-Y489 WeakPolarHBondContact OD2-CE2 3.41Å; D484-Y489 PolarHBondContact OD2-OH 2.95Å; D484-Y489 VanDerWaalsContact OD2-OH 3.07Å; H487-Y489 HydrophobicContact CB-CD2 4.29Å; H487-Y489 HydrophobicContact CB-CE1 4.48Å; H487-Y489 HydrophobicContact CB-CE2 3.63Å
490	L	89.9	Confident	81.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	105.1	173.1	-72.5	76.4	0	0	0	107.3	V448 K449 V451 T459 E462 I463 L466 L478 T488 M492	V448-L490 WeakPolarHBondContact CA-O 3.43Å; K449-L490 HydrophobicContact CB-CB 4.29Å; K449-L490 PolarHBondContact N-O 3.05Å; K449-L490 PolarHBondContact O-N 2.79Å; V451-L490 HydrophobicContact CG2-CD1 3.95Å; T459-L490 HydrophobicContact CG2-CD1 3.7Å; E462-L490 HydrophobicContact CG-CD2 4.29Å; I463-L490 HydrophobicContact CG1-CD2 3.9Å; I463-L490 HydrophobicContact CG1-CG 4.12Å; L466-L490 HydrophobicContact CD1-CD2 4.04Å; L478-L490 HydrophobicContact CD1-CB 3.78Å; L478-L490 HydrophobicContact CD1-CD2 4.36Å; L478-L490 HydrophobicContact CD1-CG 4.17Å; T488-L490 HydrophobicContact CG2-CD1 3.92Å; L490-M492 HydrophobicContact CB-CG 4.45Å
491	V	92.7	Very high	81.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	113.5	176.6	-174.5	0	0	0	0	108.6	F413 Y417 H446 V448 Y479 D480 F482	F413-V491 HydrophobicContact CD2-CG2 4.14Å; F413-V491 HydrophobicContact CE2-CG2 3.87Å; Y417-V491 HydrophobicContact CD1-CG1 4.4Å; Y417-V491 HydrophobicContact CD2-CG2 4.36Å; Y417-V491 HydrophobicContact CE1-CG1 3.66Å; Y417-V491 HydrophobicContact CE2-CG1 4.41Å; Y417-V491 HydrophobicContact CE2-CG2 4.16Å; H446-V491 HydrophobicContact CB-CG1 3.7Å; V448-V491 HydrophobicContact CG2-CG2 4.35Å; Y479-V491 PolarHBondContact N-O 2.64Å; D480-V491 HydrophobicContact CB-CB 4.11Å; D480-V491 HydrophobicContact CB-CG2 4.26Å; D480-V491 PolarHBondContact N-O 2.85Å; D480-V491 PolarHBondContact O-N 2.84Å; F482-V491 HydrophobicContact CD2-CG2 4.12Å; F482-V491 HydrophobicContact CE2-CG2 4.03Å
492	M	93	Very high	81.2	Confident	12 Å²	12	36.9 Å²	36.9	6%	0.059	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	167.7	-174	-57.3	178.7	-56.2	0	0	110.4	H446 A447 K449 V476 K477 L478 L490	H446-M492 WeakPolarHBondContact CB-O 3.33Å; A447-M492 PolarHBondContact N-O 2.91Å; A447-M492 PolarHBondContact O-N 3.34Å; K449-M492 HydrophobicContact CB-CE 3.69Å; K449-M492 HydrophobicContact CD-CE 4.47Å; V476-M492 HydrophobicContact CG1-SD 4.37Å; V476-M492 HydrophobicContact CG2-CB 4.11Å; K477-M492 CarbonylContact O-C 3.57Å; K477-M492 WeakPolarHBondContact O-CA 3.2Å; L478-M492 HydrophobicContact CD1-CG 3.99Å; L490-M492 HydrophobicContact CB-CG 4.45Å
493	E	92.3	Very high	81.2	Confident	29 Å²	29	37.9 Å²	37.9	14%	0.136	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	142.4	169.4	63.8	-170.6	160.1	0	0	112.3	V476 K477 Y479 L495 K556	V476-E493 VanDerWaalsContact CA-OE1 3.23Å; V476-E493 WeakPolarHBondContact CA-OE1 3.46Å; V476-E493 HydrophobicContact CG2-CG 3.74Å; K477-E493 HydrophobicContact CB-CB 4.49Å; K477-E493 HydrophobicContact CB-CG 4.24Å; K477-E493 PolarHBondContact N-OE1 2.72Å; K477-E493 PolarHBondContact O-N 2.92Å; Y479-E493 HydrophobicContact CE2-CB 3.77Å; E493-L495 HydrophobicContact CG-CD2 3.87Å; E493-L495 HydrophobicContact CG-CG 4.41Å; E493-K556 WeakPolarHBondContact OE1-CD 3.49Å; E493-K556 WeakPolarHBondContact OE1-CE 3.35Å; E493-K556 IonicContact OE1-NZ 2.75Å; E493-K556 PolarHBondContact OE1-NZ 2.93Å; E493-K556 IonicContact OE2-NZ 3.37Å; E493-K556 PolarHBondContact OE2-NZ 3.06Å
494	L	92	Very high	81.7	Confident	26 Å²	26	35.3 Å²	35.3	14%	0.136	17%	0.168	C	C	.	.			trans	-89.7	108	178	-179	60.3	0	0	0	109.6	L426 K436 E445 A447 R496	L426-L494 HydrophobicContact CD1-CD1 3.62Å; K436-L494 HydrophobicContact CD-CD2 4.25Å; K436-L494 HydrophobicContact CG-CD2 4.06Å; E445-L494 HydrophobicContact CB-CD2 3.75Å; A447-L494 HydrophobicContact CB-CD1 4.1Å; L494-R496 HydrophobicContact CG-CG 4.48Å
495	L	91.6	Very high	82.5	Confident	25 Å²	25	36.8 Å²	36.8	13%	0.131	17%	0.173	C	C	.	.			trans	-89.1	125.8	177.2	-53.9	-179.1	0	0	0	110	E493 L545 T547 K556 I558	E493-L495 HydrophobicContact CG-CD2 3.87Å; E493-L495 HydrophobicContact CG-CG 4.41Å; L495-L545 HydrophobicContact CB-CB 4.22Å; L495-L545 HydrophobicContact CB-CD2 4.21Å; L495-L545 HydrophobicContact CD1-CB 3.71Å; L495-L545 HydrophobicContact CD1-CD2 4.46Å; L495-T547 HydrophobicContact CD2-CG2 3.86Å; L495-K556 HydrophobicContact CD1-CB 4Å; L495-K556 HydrophobicContact CD2-CD 4.02Å; L495-I558 HydrophobicContact CD1-CG2 3.4Å
496	R	88.8	Confident	84.1	Confident	126 Å²	126	37.5 Å²	37.5	48%	0.475	17%	0.174	S	C	.	.			trans	-109	-18.7	-174	-58.3	-176.2	-167.3	-100	1.8	114	E445 L494 G498 T547	E445-R496 IonicContact OE2-CZ 2.78Å; E445-R496 IonicContact OE2-NH1 3.89Å; E445-R496 PolarHBondContact OE2-NH1 2.98Å; E445-R496 IonicContact OE2-NH2 3.12Å; E445-R496 PolarHBondContact OE2-NH2 3.38Å; L494-R496 HydrophobicContact CG-CG 4.48Å; R496-G498 PolarHBondContact O-N 2.89Å; R496-T547 PolarHBondContact N-O 3.45Å
497	G	83.9	Confident	85.6	Confident	9 Å²	9	36.2 Å²	36.2	9%	0.093	17%	0.17	C	C	.	.	S	Bend	trans	-69.8	-10.8	-176.8	0	0	0	0	0	115.4	F546 T547 D548	G497-F546 WeakPolarHBondContact CA-O 3.48Å; G497-F546 PolarHBondContact N-O 3.44Å; G497-T547 PolarHBondContact N-O 2.77Å; G497-D548 WeakPolarHBondContact CA-O 3.21Å
498	G	85.5	Confident	86.1	Confident	31 Å²	31	44.3 Å²	44.3	32%	0.32	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.6	-178	176.2	0	0	0	0	0	114.5	R496 L545 F546	R496-G498 PolarHBondContact O-N 2.89Å; G498-L545 VanDerWaalsContact O-CA 3.29Å; G498-L545 WeakPolarHBondContact O-CA 3.48Å; G498-F546 PolarHBondContact O-N 2.9Å
499	E	87.8	Confident	86.4	Confident	52 Å²	52	50.5 Å²	50.5	24%	0.243	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	145.9	179.9	-63.4	179.4	-154.6	0	0	112.3	L501 E502 R503 L545 R706	E499-L501 PolarHBondContact O-N 3.49Å; E499-E502 PolarHBondContact O-N 2.93Å; E499-R503 PolarHBondContact O-N 2.9Å; E499-R503 VanDerWaalsContact O-N 3.08Å; E499-L545 HydrophobicContact CG-CD1 4.32Å; E499-R706 VanDerWaalsContact CD-NH1 3.26Å; E499-R706 IonicContact OE1-CZ 2.79Å; E499-R706 IonicContact OE1-NH1 3.73Å; E499-R706 PolarHBondContact OE1-NH1 3.45Å; E499-R706 IonicContact OE1-NH2 2.67Å; E499-R706 PolarHBondContact OE1-NH2 3.14Å; E499-R706 IonicContact OE2-CZ 3.44Å; E499-R706 VanDerWaalsContact OE2-CZ 3.28Å; E499-R706 IonicContact OE2-NH1 3.05Å; E499-R706 PolarHBondContact OE2-NH1 3.3Å; E499-R706 IonicContact OE2-NH2 3.84Å; E499-R706 PolarHBondContact OE2-NH2 3.02Å
500	L	87.1	Confident	86.5	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-46.6	-52.2	-177.8	174	59.1	0	0	0	114.4	R503 I504 L518 V544 F546 L555 I605 M609	L500-R503 WeakPolarHBondContact O-CB 3.26Å; L500-R503 PolarHBondContact O-N 2.82Å; L500-I504 HydrophobicContact CD1-CD1 3.87Å; L500-I504 HydrophobicContact CD1-CG1 4.47Å; L500-I504 HydrophobicContact CG-CD1 4.23Å; L500-I504 WeakPolarHBondContact O-CG1 3.01Å; L500-I504 PolarHBondContact O-N 3.22Å; L500-I504 VanDerWaalsContact O-N 3.17Å; L500-L518 HydrophobicContact CD1-CD1 4.12Å; L500-V544 HydrophobicContact CB-CB 4.42Å; L500-V544 HydrophobicContact CB-CG1 4.19Å; L500-V544 HydrophobicContact CD2-CG1 4.15Å; L500-V544 PolarHBondContact N-O 2.96Å; L500-V544 VanDerWaalsContact N-O 3.07Å; L500-F546 HydrophobicContact CD1-CE2 3.93Å; L500-F546 HydrophobicContact CD1-CZ 4.1Å; L500-L555 HydrophobicContact CD1-CD1 4.09Å; L500-I605 HydrophobicContact CD2-CG2 3.74Å; L500-M609 HydrophobicContact CD1-SD 4.17Å; L500-M609 HydrophobicContact CD2-CG 4.43Å; L500-M609 HydrophobicContact CD2-SD 3.96Å; L500-M609 HydrophobicContact CG-SD 4.45Å
501	L	85.4	Confident	86.4	Confident	21 Å²	21	51.1 Å²	51.1	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-74.1	-33.7	-174.5	-62.8	177.9	0	0	0	113	E499 R503 I504 K505 P541 T608 L698	E499-L501 PolarHBondContact O-N 3.49Å; L501-R503 VanDerWaalsContact C-N 3.27Å; L501-R503 PolarHBondContact O-N 3.46Å; L501-I504 HydrophobicContact CD2-CD1 4.44Å; L501-I504 PolarHBondContact O-N 3.32Å; L501-K505 VanDerWaalsContact O-CB 3.28Å; L501-K505 WeakPolarHBondContact O-CB 3.31Å; L501-K505 PolarHBondContact O-N 3Å; L501-P541 HydrophobicContact CD1-CB 3.72Å; L501-P541 HydrophobicContact CD1-CG 3.88Å; L501-P541 HydrophobicContact CG-CB 3.9Å; L501-P541 HydrophobicContact CG-CG 4.38Å; L501-T608 HydrophobicContact CD1-CG2 3.77Å; L501-T608 HydrophobicContact CD2-CG2 3.78Å; L501-T608 HydrophobicContact CG-CG2 4.46Å; L501-L698 HydrophobicContact CB-CD1 4.4Å; L501-L698 HydrophobicContact CD2-CD1 4.41Å
502	E	83.4	Confident	86.2	Confident	71 Å²	71	51.1 Å²	51.1	33%	0.332	25%	0.247	S	C	.	.	H	α-helix	trans	-71.8	-23.6	175.3	-72.4	-64.9	143.7	0	0	111.9	E499 K505 K506	E499-E502 PolarHBondContact O-N 2.93Å; E502-K505 VanDerWaalsContact CD-NZ 3.34Å; E502-K505 IonicContact OE1-NZ 2.65Å; E502-K505 PolarHBondContact OE1-NZ 3.3Å; E502-K505 IonicContact OE2-NZ 2.69Å; E502-K505 PolarHBondContact OE2-NZ 3.43Å; E502-K506 WeakPolarHBondContact O-CD 3.42Å; E502-K506 VanDerWaalsContact O-CG 3.31Å; E502-K506 WeakPolarHBondContact O-CG 3.47Å
503	R	84.6	Confident	85.9	Confident	44 Å²	44	53 Å²	53	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-70	-50.2	168.3	-167.5	89.9	176.6	126.5	8	111.2	E499 L500 L501 K505 K506 F546 E549 G550	E499-R503 PolarHBondContact O-N 2.9Å; E499-R503 VanDerWaalsContact O-N 3.08Å; L500-R503 WeakPolarHBondContact O-CB 3.26Å; L500-R503 PolarHBondContact O-N 2.82Å; L501-R503 VanDerWaalsContact C-N 3.27Å; L501-R503 PolarHBondContact O-N 3.46Å; R503-K505 VanDerWaalsContact C-N 3.35Å; R503-K505 PolarHBondContact O-N 3.36Å; R503-K506 PolarHBondContact O-N 3.48Å; R503-K506 VanDerWaalsContact O-N 3.11Å; R503-F546 HydrophobicContact CB-CD2 3.71Å; R503-F546 HydrophobicContact CB-CE2 3.45Å; R503-F546 VanDerWaalsContact CB-CE2 3.45Å; R503-F546 HydrophobicContact CB-CZ 4.41Å; R503-F546 HydrophobicContact CG-CD2 3.7Å; R503-F546 HydrophobicContact CG-CE2 3.48Å; R503-F546 VanDerWaalsContact CG-CE2 3.48Å; R503-F546 HydrophobicContact CG-CG 4.44Å; R503-F546 HydrophobicContact CG-CZ 4.06Å; R503-E549 VanDerWaalsContact CZ-O 3.29Å; R503-E549 PolarHBondContact NH1-O 3.13Å; R503-E549 VanDerWaalsContact NH1-O 3.13Å; R503-E549 VanDerWaalsContact NH2-C 3.26Å; R503-E549 PolarHBondContact NH2-O 3.33Å; R503-G550 VanDerWaalsContact NH2-C 3.26Å; R503-G550 PolarHBondContact NH2-O 2.99Å
504	I	85.9	Confident	85.7	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-44.2	-179.7	-66.2	167.7	0	0	0	110.9	L500 L501 K506 K507 F510 M609 T694 L698	L500-I504 HydrophobicContact CD1-CD1 3.87Å; L500-I504 HydrophobicContact CD1-CG1 4.47Å; L500-I504 HydrophobicContact CG-CD1 4.23Å; L500-I504 WeakPolarHBondContact O-CG1 3.01Å; L500-I504 PolarHBondContact O-N 3.22Å; L500-I504 VanDerWaalsContact O-N 3.17Å; L501-I504 HydrophobicContact CD2-CD1 4.44Å; L501-I504 PolarHBondContact O-N 3.32Å; I504-K506 PolarHBondContact O-N 2.96Å; I504-K506 VanDerWaalsContact O-N 3.15Å; I504-K507 WeakPolarHBondContact O-CB 3.14Å; I504-K507 PolarHBondContact O-N 2.79Å; I504-F510 HydrophobicContact CD1-CE1 4.2Å; I504-F510 HydrophobicContact CD1-CE2 4.13Å; I504-F510 HydrophobicContact CD1-CZ 3.76Å; I504-F510 HydrophobicContact CG1-CD2 4.25Å; I504-F510 HydrophobicContact CG1-CE1 4.48Å; I504-F510 HydrophobicContact CG1-CE2 3.87Å; I504-F510 HydrophobicContact CG1-CZ 4Å; I504-F510 HydrophobicContact CG2-CB 4.36Å; I504-F510 HydrophobicContact CG2-CD1 3.75Å; I504-F510 HydrophobicContact CG2-CD2 4.16Å; I504-F510 HydrophobicContact CG2-CE1 4.04Å; I504-F510 HydrophobicContact CG2-CE2 4.41Å; I504-F510 HydrophobicContact CG2-CG 3.82Å; I504-F510 HydrophobicContact CG2-CZ 4.35Å; I504-M609 HydrophobicContact CD1-CB 4.42Å; I504-M609 HydrophobicContact CD1-CG 3.84Å; I504-M609 HydrophobicContact CD1-SD 4.26Å; I504-T694 HydrophobicContact CG2-CG2 3.59Å; I504-L698 HydrophobicContact CB-CD1 4.4Å; I504-L698 HydrophobicContact CG2-CD1 4.21Å
505	K	83.8	Confident	85.5	Confident	63 Å²	63	52.4 Å²	52.4	27%	0.274	26%	0.261	S	S	.	.	H	α-helix	trans	-56.4	-26.9	175.2	178.3	178.7	159.3	-151.7	0	114.4	L501 E502 R503 L698	L501-K505 VanDerWaalsContact O-CB 3.28Å; L501-K505 WeakPolarHBondContact O-CB 3.31Å; L501-K505 PolarHBondContact O-N 3Å; E502-K505 VanDerWaalsContact CD-NZ 3.34Å; E502-K505 IonicContact OE1-NZ 2.65Å; E502-K505 PolarHBondContact OE1-NZ 3.3Å; E502-K505 IonicContact OE2-NZ 2.69Å; E502-K505 PolarHBondContact OE2-NZ 3.43Å; R503-K505 VanDerWaalsContact C-N 3.35Å; R503-K505 PolarHBondContact O-N 3.36Å; K505-L698 HydrophobicContact CB-CB 3.89Å; K505-L698 HydrophobicContact CB-CD1 4.27Å; K505-L698 HydrophobicContact CD-CB 4.26Å; K505-L698 HydrophobicContact CG-CB 4.02Å
506	K	83.9	Confident	85.5	Confident	155 Å²	155	51.6 Å²	51.6	67%	0.674	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.6	177.3	-70.3	171.4	-176.1	179.8	0	113.4	E502 R503 I504	E502-K506 WeakPolarHBondContact O-CD 3.42Å; E502-K506 VanDerWaalsContact O-CG 3.31Å; E502-K506 WeakPolarHBondContact O-CG 3.47Å; R503-K506 PolarHBondContact O-N 3.48Å; R503-K506 VanDerWaalsContact O-N 3.11Å; I504-K506 PolarHBondContact O-N 2.96Å; I504-K506 VanDerWaalsContact O-N 3.15Å
507	K	82.8	Confident	85.5	Confident	48 Å²	48	51.5 Å²	51.5	21%	0.209	26%	0.262	C	S	.	.			trans	-83.9	134.9	179.8	-73.7	-166.5	156.9	-173	0	111.1	I504 F510 E514 P695	I504-K507 WeakPolarHBondContact O-CB 3.14Å; I504-K507 PolarHBondContact O-N 2.79Å; K507-F510 HydrophobicContact CD-CD2 4.29Å; K507-E514 IonicContact NZ-OE1 3.72Å; K507-E514 PolarHBondContact NZ-OE1 2.95Å; K507-E514 IonicContact NZ-OE2 3.04Å; K507-E514 PolarHBondContact NZ-OE2 2.86Å; K507-P695 WeakPolarHBondContact O-CB 3.31Å; K507-P695 WeakPolarHBondContact O-CG 3.38Å
508	K	76.3	Confident	85.9	Confident	207 Å²	207	51.7 Å²	51.7	90%	0.9	26%	0.261	S	S	*	.	S	Bend	trans	-76.5	-25.6	173.7	-66.2	-175.8	177.4	-178.6	0	113.4
509	L	80.9	Confident	86.2	Confident	129 Å²	129	50.2 Å²	50.2	68%	0.675	25%	0.246	S	C	*	.			trans	-138	121	177.4	-64.4	172.3	0	0	0	106.3	P691	L509-P691 HydrophobicContact CD2-CB 4.02Å; L509-P691 HydrophobicContact CD2-CG 3.71Å
510	F	86.1	Confident	86.4	Confident	1 Å²	1	52 Å²	52	0%	0.004	25%	0.254	C	S	.	.			trans	-130.2	125	173.2	-179.4	-109.4	0	0	0	107	I504 K507 E514 A515 L518 M609 L692 P695	I504-F510 HydrophobicContact CD1-CE1 4.2Å; I504-F510 HydrophobicContact CD1-CE2 4.13Å; I504-F510 HydrophobicContact CD1-CZ 3.76Å; I504-F510 HydrophobicContact CG1-CD2 4.25Å; I504-F510 HydrophobicContact CG1-CE1 4.48Å; I504-F510 HydrophobicContact CG1-CE2 3.87Å; I504-F510 HydrophobicContact CG1-CZ 4Å; I504-F510 HydrophobicContact CG2-CB 4.36Å; I504-F510 HydrophobicContact CG2-CD1 3.75Å; I504-F510 HydrophobicContact CG2-CD2 4.16Å; I504-F510 HydrophobicContact CG2-CE1 4.04Å; I504-F510 HydrophobicContact CG2-CE2 4.41Å; I504-F510 HydrophobicContact CG2-CG 3.82Å; I504-F510 HydrophobicContact CG2-CZ 4.35Å; K507-F510 HydrophobicContact CD-CD2 4.29Å; F510-E514 HydrophobicContact CD2-CB 4.25Å; F510-E514 VanDerWaalsContact CD2-CD 3.48Å; F510-E514 HydrophobicContact CD2-CG 4.28Å; F510-E514 WeakPolarHBondContact CD2-OE1 3.24Å; F510-E514 HydrophobicContact CE2-CB 3.98Å; F510-E514 VanDerWaalsContact CE2-CD 3.48Å; F510-E514 HydrophobicContact CE2-CG 3.91Å; F510-E514 WeakPolarHBondContact CE2-OE1 3.48Å; F510-A515 HydrophobicContact CE1-CB 3.94Å; F510-A515 HydrophobicContact CZ-CB 3.76Å; F510-L518 HydrophobicContact CE2-CD1 3.83Å; F510-L518 HydrophobicContact CZ-CD1 4.08Å; F510-M609 HydrophobicContact CE1-CB 4.48Å; F510-M609 WeakPolarHBondContact CE1-O 3.47Å; F510-L692 HydrophobicContact CD1-CB 4.29Å; F510-L692 HydrophobicContact CD1-CD1 3.68Å; F510-L692 HydrophobicContact CE1-CD1 3.72Å; F510-L692 WeakPolarHBondContact O-CB 3Å; F510-L692 PolarHBondContact O-N 2.9Å; F510-P695 HydrophobicContact CB-CG 3.82Å
511	G	87.3	Confident	86.6	Confident	24 Å²	24	53.6 Å²	53.6	25%	0.247	27%	0.265	C	S	.	.			trans	-116.6	162.7	-170.5	0	0	0	0	0	112.8	A513 E514 A515	G511-A513 VanDerWaalsContact C-N 3.28Å; G511-A513 PolarHBondContact O-N 3.12Å; G511-E514 PolarHBondContact O-N 2.95Å; G511-A515 PolarHBondContact O-N 2.78Å
512	E	88.1	Confident	86.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-39.2	179.1	-163.8	175.2	-170.8	0	0	112.6	E514 A515 S516 L610 S651 A654 W680 M687 S688	E512-E514 VanDerWaalsContact C-N 3.32Å; E512-E514 PolarHBondContact O-N 2.8Å; E512-A515 PolarHBondContact O-N 2.84Å; E512-S516 PolarHBondContact O-N 2.92Å; E512-L610 HydrophobicContact CG-CD2 4.34Å; E512-S651 WeakPolarHBondContact OE1-CB 3.39Å; E512-S651 PolarHBondContact OE1-N 3.02Å; E512-S651 PolarHBondContact OE1-OG 3.34Å; E512-S651 WeakPolarHBondContact OE2-CB 3.08Å; E512-S651 PolarHBondContact OE2-N 3.28Å; E512-A654 WeakPolarHBondContact OE1-CB 3.43Å; E512-W680 HydrophobicContact CG-CZ2 3.61Å; E512-W680 PolarHBondContact OE1-NE1 2.9Å; E512-M687 HydrophobicContact CB-SD 4.14Å; E512-M687 HydrophobicContact CG-SD 3.74Å; E512-S688 WeakPolarHBondContact OE2-CA 3.1Å; E512-S688 WeakPolarHBondContact OE2-CB 3.38Å; E512-S688 PolarHBondContact OE2-N 3.01Å
513	A	86.5	Confident	87.4	Confident	51 Å²	51	49.8 Å²	49.8	42%	0.421	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-36.4	174.7	0	0	0	0	0	113.2	G511 S516 Q517	G511-A513 VanDerWaalsContact C-N 3.28Å; G511-A513 PolarHBondContact O-N 3.12Å; A513-S516 PolarHBondContact O-N 2.67Å; A513-Q517 WeakPolarHBondContact O-CG 3.44Å; A513-Q517 PolarHBondContact O-N 2.89Å; A513-Q517 VanDerWaalsContact O-N 3.1Å
514	E	87.4	Confident	87.7	Confident	43 Å²	43	50 Å²	50	20%	0.201	26%	0.256	C	S	.	.	H	α-helix	trans	-73.1	-41.8	176.3	-163.7	-166.8	138.1	0	0	110.9	K507 F510 G511 E512 S516 Q517 L518	K507-E514 IonicContact NZ-OE1 3.72Å; K507-E514 PolarHBondContact NZ-OE1 2.95Å; K507-E514 IonicContact NZ-OE2 3.04Å; K507-E514 PolarHBondContact NZ-OE2 2.86Å; F510-E514 HydrophobicContact CD2-CB 4.25Å; F510-E514 VanDerWaalsContact CD2-CD 3.48Å; F510-E514 HydrophobicContact CD2-CG 4.28Å; F510-E514 WeakPolarHBondContact CD2-OE1 3.24Å; F510-E514 HydrophobicContact CE2-CB 3.98Å; F510-E514 VanDerWaalsContact CE2-CD 3.48Å; F510-E514 HydrophobicContact CE2-CG 3.91Å; F510-E514 WeakPolarHBondContact CE2-OE1 3.48Å; G511-E514 PolarHBondContact O-N 2.95Å; E512-E514 VanDerWaalsContact C-N 3.32Å; E512-E514 PolarHBondContact O-N 2.8Å; E514-S516 PolarHBondContact O-N 2.79Å; E514-Q517 PolarHBondContact O-N 2.88Å; E514-L518 HydrophobicContact CG-CD1 4.41Å; E514-L518 WeakPolarHBondContact O-CG 3.48Å; E514-L518 PolarHBondContact O-N 3.3Å
515	A	89.5	Confident	88	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-37.1	173	0	0	0	0	0	112	F510 G511 E512 L519 L610 W680 L692	F510-A515 HydrophobicContact CE1-CB 3.94Å; F510-A515 HydrophobicContact CZ-CB 3.76Å; G511-A515 PolarHBondContact O-N 2.78Å; E512-A515 PolarHBondContact O-N 2.84Å; A515-L519 WeakPolarHBondContact O-CB 3.38Å; A515-L519 PolarHBondContact O-N 2.95Å; A515-L610 HydrophobicContact CB-CD2 4.02Å; A515-W680 HydrophobicContact CB-CH2 4.46Å; A515-L692 HydrophobicContact CB-CD1 4.34Å
516	S	91.1	Very high	88.3	Confident	7 Å²	7	47 Å²	47	5%	0.049	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-46.4	174.3	-175.2	0	0	0	0	112.2	E512 A513 E514 L518 L519 Q520 W680	E512-S516 PolarHBondContact O-N 2.92Å; A513-S516 PolarHBondContact O-N 2.67Å; E514-S516 PolarHBondContact O-N 2.79Å; S516-L518 VanDerWaalsContact C-N 3.35Å; S516-L518 PolarHBondContact O-N 2.78Å; S516-L519 PolarHBondContact O-N 3.38Å; S516-Q520 VanDerWaalsContact O-CB 3.31Å; S516-Q520 WeakPolarHBondContact O-CB 3.47Å; S516-Q520 PolarHBondContact O-N 3.34Å; S516-W680 VanDerWaalsContact CA-CZ3 3.5Å; S516-W680 PolarHBondContact OG-O 2.87Å
517	Q	89.1	Confident	88.6	Confident	124 Å²	124	39.9 Å²	39.9	58%	0.579	21%	0.213	S	C	*	.	H	α-helix	trans	-60.4	-40.5	175.5	-70.9	170.4	0.7	0	0	113.1	A513 E514 Q520 S521	A513-Q517 WeakPolarHBondContact O-CG 3.44Å; A513-Q517 PolarHBondContact O-N 2.89Å; A513-Q517 VanDerWaalsContact O-N 3.1Å; E514-Q517 PolarHBondContact O-N 2.88Å; Q517-Q520 PolarHBondContact O-N 3.47Å; Q517-S521 PolarHBondContact O-N 3.35Å; Q517-S521 PolarHBondContact O-OG 3.01Å
518	L	91.3	Very high	89	Confident	14 Å²	14	40.9 Å²	40.9	7%	0.073	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-41.2	175.9	-66.6	170.7	0	0	0	111.5	L500 F510 E514 S516 S521 L522 F546 L555 M609	L500-L518 HydrophobicContact CD1-CD1 4.12Å; F510-L518 HydrophobicContact CE2-CD1 3.83Å; F510-L518 HydrophobicContact CZ-CD1 4.08Å; E514-L518 HydrophobicContact CG-CD1 4.41Å; E514-L518 WeakPolarHBondContact O-CG 3.48Å; E514-L518 PolarHBondContact O-N 3.3Å; S516-L518 VanDerWaalsContact C-N 3.35Å; S516-L518 PolarHBondContact O-N 2.78Å; L518-S521 WeakPolarHBondContact O-CB 3.24Å; L518-S521 PolarHBondContact O-N 2.95Å; L518-L522 WeakPolarHBondContact O-CG 3.34Å; L518-L522 PolarHBondContact O-N 3.35Å; L518-F546 HydrophobicContact CD1-CZ 4.45Å; L518-F546 HydrophobicContact CD2-CE1 3.72Å; L518-F546 HydrophobicContact CD2-CZ 3.62Å; L518-L555 HydrophobicContact CB-CD2 4.35Å; L518-L555 HydrophobicContact CD2-CB 4.43Å; L518-L555 HydrophobicContact CD2-CD1 4.46Å; L518-L555 HydrophobicContact CD2-CD2 4.06Å; L518-M609 HydrophobicContact CB-SD 4.12Å; L518-M609 HydrophobicContact CD1-SD 4.4Å
519	L	92.4	Very high	89.6	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.1	-40.6	174.4	-175.5	63.7	0	0	0	111.8	A515 S516 S521 L522 V523 L602 L606 M609 L657 W680 L681	A515-L519 WeakPolarHBondContact O-CB 3.38Å; A515-L519 PolarHBondContact O-N 2.95Å; S516-L519 PolarHBondContact O-N 3.38Å; L519-S521 VanDerWaalsContact C-N 3.27Å; L519-S521 PolarHBondContact O-N 3.19Å; L519-L522 CarbonylContact O-C 3.57Å; L519-L522 WeakPolarHBondContact O-CA 3.33Å; L519-L522 WeakPolarHBondContact O-CB 3.43Å; L519-L522 PolarHBondContact O-N 3.17Å; L519-V523 HydrophobicContact CD1-CG2 4.18Å; L519-V523 HydrophobicContact CG-CG2 4.04Å; L519-V523 WeakPolarHBondContact O-CG2 3.21Å; L519-V523 PolarHBondContact O-N 3.3Å; L519-L602 HydrophobicContact CD1-CB 4.24Å; L519-L602 HydrophobicContact CD1-CD2 4.23Å; L519-L606 HydrophobicContact CD2-CB 4.3Å; L519-L606 HydrophobicContact CD2-CD1 3.92Å; L519-L606 HydrophobicContact CD2-CD2 3.75Å; L519-L606 HydrophobicContact CD2-CG 4.17Å; L519-M609 HydrophobicContact CB-CE 4.15Å; L519-L657 HydrophobicContact CD2-CD2 3.99Å; L519-W680 HydrophobicContact CD2-CZ3 4.09Å; L519-L681 HydrophobicContact CB-CD2 3.96Å; L519-L681 HydrophobicContact CD2-CD1 4.32Å; L519-L681 HydrophobicContact CD2-CD2 3.93Å; L519-L681 HydrophobicContact CD2-CG 4.44Å; L519-L681 HydrophobicContact CG-CD2 3.91Å
520	Q	91.2	Very high	90	Very high	90 Å²	90	25.1 Å²	25.1	42%	0.421	14%	0.143	S	C	.	.	H	α-helix	trans	-57.7	-42	176.8	-169.7	-171	74.3	0	0	110.8	S516 Q517 L522 V523 S524 L681	S516-Q520 VanDerWaalsContact O-CB 3.31Å; S516-Q520 WeakPolarHBondContact O-CB 3.47Å; S516-Q520 PolarHBondContact O-N 3.34Å; Q517-Q520 PolarHBondContact O-N 3.47Å; Q520-L522 PolarHBondContact O-N 3.07Å; Q520-V523 PolarHBondContact O-N 3.33Å; Q520-S524 WeakPolarHBondContact O-CB 3.46Å; Q520-S524 PolarHBondContact O-N 2.94Å; Q520-L681 HydrophobicContact CB-CD2 4.11Å; Q520-L681 PolarHBondContact NE2-O 3.1Å
521	S	92	Very high	90	Very high	32 Å²	32	30.5 Å²	30.5	22%	0.224	17%	0.172	C	C	.	.	H	α-helix	trans	-59	-44	173	-63.5	0	0	0	0	112.4	H472 Q517 L518 L519 A525	H472-S521 PolarHBondContact CE1-O 3.44Å; Q517-S521 PolarHBondContact O-N 3.35Å; Q517-S521 PolarHBondContact O-OG 3.01Å; L518-S521 WeakPolarHBondContact O-CB 3.24Å; L518-S521 PolarHBondContact O-N 2.95Å; L519-S521 VanDerWaalsContact C-N 3.27Å; L519-S521 PolarHBondContact O-N 3.19Å; S521-A525 PolarHBondContact O-N 2.84Å; S521-A525 VanDerWaalsContact O-N 3.11Å
522	L	91.8	Very high	89.8	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-69.4	-41.1	176.6	-68.1	174.1	0	0	0	112.9	L518 L519 Q520 S524 A525 V526 V544 L555 V557 L602 I605	L518-L522 WeakPolarHBondContact O-CG 3.34Å; L518-L522 PolarHBondContact O-N 3.35Å; L519-L522 CarbonylContact O-C 3.57Å; L519-L522 WeakPolarHBondContact O-CA 3.33Å; L519-L522 WeakPolarHBondContact O-CB 3.43Å; L519-L522 PolarHBondContact O-N 3.17Å; Q520-L522 PolarHBondContact O-N 3.07Å; L522-S524 VanDerWaalsContact C-N 3.32Å; L522-S524 PolarHBondContact O-N 3.22Å; L522-A525 PolarHBondContact O-N 2.82Å; L522-V526 WeakPolarHBondContact O-CB 3.45Å; L522-V526 WeakPolarHBondContact O-CG2 3.4Å; L522-V526 PolarHBondContact O-N 3.49Å; L522-V544 HydrophobicContact CD2-CG1 3.84Å; L522-V544 HydrophobicContact CD2-CG2 3.99Å; L522-L555 HydrophobicContact CD1-CD2 4.24Å; L522-L555 HydrophobicContact CD2-CD2 3.93Å; L522-L555 HydrophobicContact CG-CD2 3.81Å; L522-V557 HydrophobicContact CD2-CG2 4.05Å; L522-L602 HydrophobicContact CB-CD2 3.69Å; L522-L602 HydrophobicContact CD1-CD2 4.25Å; L522-I605 HydrophobicContact CD1-CD1 4.47Å; L522-I605 HydrophobicContact CD1-CG2 4.02Å
523	V	92.6	Very high	89.5	Confident	9 Å²	9	31.6 Å²	31.6	6%	0.055	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-39.7	176.5	170.6	0	0	0	0	110.6	L519 Q520 V526 S527 L602 L672 L675 K676 L681	L519-V523 HydrophobicContact CD1-CG2 4.18Å; L519-V523 HydrophobicContact CG-CG2 4.04Å; L519-V523 WeakPolarHBondContact O-CG2 3.21Å; L519-V523 PolarHBondContact O-N 3.3Å; Q520-V523 PolarHBondContact O-N 3.33Å; V523-V526 PolarHBondContact O-N 2.86Å; V523-S527 WeakPolarHBondContact O-CB 3.2Å; V523-S527 PolarHBondContact O-N 3.34Å; V523-L602 HydrophobicContact CG2-CD1 3.95Å; V523-L672 HydrophobicContact CG1-CD1 4.3Å; V523-L675 HydrophobicContact CG1-CD2 4.14Å; V523-L675 HydrophobicContact CG1-CG 4.07Å; V523-L675 HydrophobicContact CG2-CD1 4.43Å; V523-L675 HydrophobicContact CG2-CD2 3.71Å; V523-L675 HydrophobicContact CG2-CG 3.97Å; V523-K676 HydrophobicContact CG1-CG 4.49Å; V523-L681 HydrophobicContact CG2-CD1 4.1Å
524	S	92.4	Very high	89.4	Confident	49 Å²	49	29.2 Å²	29.2	34%	0.343	16%	0.16	S	C	.	.	H	α-helix	trans	-60.1	-47.1	172.8	-170	0	0	0	0	111.4	H472 Q520 L522 S527 F528	H472-S524 WeakPolarHBondContact CE1-CB 3.46Å; H472-S524 PolarHBondContact CE1-OG 2.93Å; H472-S524 WeakPolarHBondContact NE2-CA 3.38Å; H472-S524 WeakPolarHBondContact NE2-CB 3.12Å; H472-S524 PolarHBondContact NE2-O 3.22Å; H472-S524 PolarHBondContact NE2-OG 3.08Å; Q520-S524 WeakPolarHBondContact O-CB 3.46Å; Q520-S524 PolarHBondContact O-N 2.94Å; L522-S524 VanDerWaalsContact C-N 3.32Å; L522-S524 PolarHBondContact O-N 3.22Å; S524-S527 PolarHBondContact O-N 3.09Å; S524-F528 PolarHBondContact O-N 3.36Å
525	A	91.5	Very high	89.1	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.9	-49	176.7	0	0	0	0	0	112.5	H472 N474 I475 S521 L522 S527 F528 M529 V557	H472-A525 VanDerWaalsContact CE1-CA 3.46Å; H472-A525 WeakPolarHBondContact CE1-CA 3.46Å; H472-A525 PolarHBondContact CE1-N 2.72Å; N474-A525 HydrophobicContact CB-CB 4Å; I475-A525 HydrophobicContact CD1-CB 4.38Å; I475-A525 HydrophobicContact CG1-CB 4.04Å; S521-A525 PolarHBondContact O-N 2.84Å; S521-A525 VanDerWaalsContact O-N 3.11Å; L522-A525 PolarHBondContact O-N 2.82Å; A525-S527 VanDerWaalsContact C-N 3.31Å; A525-S527 PolarHBondContact O-N 3.25Å; A525-F528 PolarHBondContact O-N 3.16Å; A525-M529 HydrophobicContact CB-CE 4.06Å; A525-M529 WeakPolarHBondContact O-CE 3.46Å; A525-M529 WeakPolarHBondContact O-CG 3.5Å; A525-M529 PolarHBondContact O-N 2.84Å; A525-V557 HydrophobicContact CB-CG2 4.29Å
526	V	90.5	Very high	88.8	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-64	-37.6	179.7	173.3	0	0	0	0	111.3	L522 V523 M529 H530 L539 D598 L599 L602	L522-V526 WeakPolarHBondContact O-CB 3.45Å; L522-V526 WeakPolarHBondContact O-CG2 3.4Å; L522-V526 PolarHBondContact O-N 3.49Å; V523-V526 PolarHBondContact O-N 2.86Å; V526-M529 HydrophobicContact CG2-CE 4.19Å; V526-H530 WeakPolarHBondContact O-CB 3.36Å; V526-H530 PolarHBondContact O-CD2 3.34Å; V526-H530 VanDerWaalsContact O-CD2 3.25Å; V526-H530 VanDerWaalsContact O-CG 3.29Å; V526-H530 PolarHBondContact O-N 2.71Å; V526-L539 HydrophobicContact CG2-CD1 3.49Å; V526-L539 VanDerWaalsContact CG2-CD1 3.49Å; V526-D598 HydrophobicContact CG1-CB 3.99Å; V526-L599 HydrophobicContact CG1-CD2 4.41Å; V526-L602 HydrophobicContact CB-CD1 4.33Å; V526-L602 HydrophobicContact CG1-CD1 4.44Å; V526-L602 HydrophobicContact CG2-CD1 4.14Å; V526-L602 HydrophobicContact CG2-CD2 4.22Å; V526-L602 HydrophobicContact CG2-CG 4.41Å
527	S	90.9	Very high	88.2	Confident	6 Å²	6	30.7 Å²	30.7	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-50.6	171.8	-171.5	0	0	0	0	112	V523 S524 A525 M529 H530 D531 K676	V523-S527 WeakPolarHBondContact O-CB 3.2Å; V523-S527 PolarHBondContact O-N 3.34Å; S524-S527 PolarHBondContact O-N 3.09Å; A525-S527 VanDerWaalsContact C-N 3.31Å; A525-S527 PolarHBondContact O-N 3.25Å; S527-M529 VanDerWaalsContact C-N 3.25Å; S527-M529 PolarHBondContact O-N 3.32Å; S527-H530 PolarHBondContact O-N 3.26Å; S527-D531 WeakPolarHBondContact O-CB 3.49Å; S527-D531 PolarHBondContact O-N 3.46Å; S527-D531 PolarHBondContact OG-OD2 2.79Å; S527-K676 WeakPolarHBondContact OG-CE 3.31Å; S527-K676 PolarHBondContact OG-NZ 3.4Å
528	F	90.6	Very high	87.7	Confident	69 Å²	69	26 Å²	26	30%	0.303	14%	0.141	S	C	.	.	H	α-helix	trans	-58.8	-41.1	-178.6	-167.9	-89.2	0	0	0	111.6	A471 H472 S524 A525 A532	A471-F528 HydrophobicContact CB-CZ 4.11Å; H472-F528 HydrophobicContact CB-CB 4.23Å; H472-F528 HydrophobicContact CB-CD1 3.73Å; H472-F528 HydrophobicContact CB-CD2 4.38Å; H472-F528 HydrophobicContact CB-CE1 4.19Å; H472-F528 HydrophobicContact CB-CG 3.84Å; H472-F528 WeakPolarHBondContact CD2-CB 3.34Å; H472-F528 AromaticContact CD2-CD2 3.76Å; H472-F528 AromaticContact CD2-CG 3.55Å; H472-F528 AromaticContact CG-CG 3.95Å; S524-F528 PolarHBondContact O-N 3.36Å; A525-F528 PolarHBondContact O-N 3.16Å; F528-A532 WeakPolarHBondContact O-CB 3.44Å; F528-A532 PolarHBondContact O-N 3.39Å
529	M	88.7	Confident	87.2	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56	-55.7	169.7	-70.6	-176.3	-109	0	0	111.1	I475 A525 V526 S527 D531 A532 G533 V534 H536 V557 F560	I475-M529 HydrophobicContact CD1-CE 4.12Å; I475-M529 HydrophobicContact CD1-CG 3.74Å; I475-M529 HydrophobicContact CD1-SD 4.46Å; I475-M529 HydrophobicContact CG1-CE 4.48Å; A525-M529 HydrophobicContact CB-CE 4.06Å; A525-M529 WeakPolarHBondContact O-CE 3.46Å; A525-M529 WeakPolarHBondContact O-CG 3.5Å; A525-M529 PolarHBondContact O-N 2.84Å; V526-M529 HydrophobicContact CG2-CE 4.19Å; S527-M529 VanDerWaalsContact C-N 3.25Å; S527-M529 PolarHBondContact O-N 3.32Å; M529-D531 VanDerWaalsContact C-N 3.3Å; M529-D531 PolarHBondContact O-N 2.7Å; M529-A532 CarbonylContact O-C 3.49Å; M529-A532 PolarHBondContact O-N 3.31Å; M529-G533 PolarHBondContact O-N 3.43Å; M529-G533 VanDerWaalsContact O-N 3.15Å; M529-V534 CarbonylContact C-O 3.58Å; M529-V534 HydrophobicContact CB-CB 4.13Å; M529-V534 HydrophobicContact CB-CG1 4.47Å; M529-V534 WeakPolarHBondContact O-CA 3.44Å; M529-V534 WeakPolarHBondContact O-CB 3.17Å; M529-V534 PolarHBondContact O-N 3.21Å; M529-H536 HydrophobicContact SD-CB 3.93Å; M529-V557 HydrophobicContact CE-CG1 4.36Å; M529-V557 HydrophobicContact CE-CG2 4.35Å; M529-F560 HydrophobicContact CE-CZ 4.26Å; M529-F560 HydrophobicContact CG-CE1 4.06Å; M529-F560 HydrophobicContact CG-CZ 4.36Å; M529-F560 HydrophobicContact SD-CE1 3.48Å; M529-F560 WeakPolarHBondContact SD-CE1 3.31Å; M529-F560 HydrophobicContact SD-CZ 3.66Å
530	H	88	Confident	86.6	Confident	5 Å²	5	27 Å²	27	2%	0.023	15%	0.145	C	C	.	.	H	α-helix	trans	-64.8	-32.5	-174.4	-75.4	-162.8	0	0	0	113.5	V526 S527 G533 V534 K595 D598 L672	V526-H530 WeakPolarHBondContact O-CB 3.36Å; V526-H530 PolarHBondContact O-CD2 3.34Å; V526-H530 VanDerWaalsContact O-CD2 3.25Å; V526-H530 VanDerWaalsContact O-CG 3.29Å; V526-H530 PolarHBondContact O-N 2.71Å; S527-H530 PolarHBondContact O-N 3.26Å; H530-G533 PolarHBondContact O-N 3.26Å; H530-V534 WeakPolarHBondContact CA-O 3.23Å; H530-V534 PolarHBondContact CD2-O 2.96Å; H530-V534 PolarHBondContact N-O 3.03Å; H530-K595 HydrophobicContact CB-CD 4.24Å; H530-K595 PolarHBondContact CE1-O 2.85Å; H530-K595 PolarHBondContact O-NZ 2.99Å; H530-D598 IonicContact CD2-OD2 3.28Å; H530-D598 IonicContact CE1-OD2 2.71Å; H530-D598 IonicContact NE2-OD2 3.43Å; H530-D598 PolarHBondContact NE2-OD2 3.44Å; H530-L672 HydrophobicContact CB-CD2 3.99Å
531	D	86.3	Confident	86	Confident	113 Å²	113	23 Å²	23	60%	0.604	13%	0.126	S	C	*	.	H	α-helix	trans	-75.3	-37.1	176.9	-64.2	-33.5	0	0	0	110.8	S527 M529 G533 K676	S527-D531 WeakPolarHBondContact O-CB 3.49Å; S527-D531 PolarHBondContact O-N 3.46Å; S527-D531 PolarHBondContact OG-OD2 2.79Å; M529-D531 VanDerWaalsContact C-N 3.3Å; M529-D531 PolarHBondContact O-N 2.7Å; D531-G533 PolarHBondContact O-N 3.25Å; D531-K676 IonicContact OD2-NZ 2.65Å
532	A	84.1	Confident	85.4	Confident	39 Å²	39	23 Å²	23	32%	0.322	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-2.2	169.8	0	0	0	0	0	113.9	Q468 F528 M529 V534	Q468-A532 PolarHBondContact OE1-O 3.2Å; F528-A532 WeakPolarHBondContact O-CB 3.44Å; F528-A532 PolarHBondContact O-N 3.39Å; M529-A532 CarbonylContact O-C 3.49Å; M529-A532 PolarHBondContact O-N 3.31Å; A532-V534 HydrophobicContact CB-CG2 4.37Å
533	G	82.5	Confident	85.2	Confident	9 Å²	9	23.3 Å²	23.3	9%	0.093	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	15.3	-177.3	0	0	0	0	0	114.4	M529 H530 D531 C566	M529-G533 PolarHBondContact O-N 3.43Å; M529-G533 VanDerWaalsContact O-N 3.15Å; H530-G533 PolarHBondContact O-N 3.26Å; D531-G533 PolarHBondContact O-N 3.25Å; G533-C566 WeakPolarHBondContact O-CB 3.45Å; G533-C566 PolarHBondContact O-N 2.92Å
534	V	83	Confident	85	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136.8	176.5	-174.6	0	0	0	0	110	A465 Q468 M529 H530 A532 F560 A563 L565	A465-V534 HydrophobicContact CB-CG1 3.83Å; A465-V534 HydrophobicContact CB-CG2 4.38Å; Q468-V534 HydrophobicContact CB-CG2 4.24Å; M529-V534 CarbonylContact C-O 3.58Å; M529-V534 HydrophobicContact CB-CB 4.13Å; M529-V534 HydrophobicContact CB-CG1 4.47Å; M529-V534 WeakPolarHBondContact O-CA 3.44Å; M529-V534 WeakPolarHBondContact O-CB 3.17Å; M529-V534 PolarHBondContact O-N 3.21Å; H530-V534 WeakPolarHBondContact CA-O 3.23Å; H530-V534 PolarHBondContact CD2-O 2.96Å; H530-V534 PolarHBondContact N-O 3.03Å; A532-V534 HydrophobicContact CB-CG2 4.37Å; V534-F560 HydrophobicContact CG1-CD1 4.35Å; V534-F560 HydrophobicContact CG1-CE1 4.34Å; V534-A563 HydrophobicContact CG1-CB 4.3Å; V534-L565 HydrophobicContact CG2-CD2 3.89Å
535	V	82.4	Confident	84.8	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.9	170.2	-169.3	0	0	0	0	108.9	R537 A563 R564 D594 K595 D598	V535-R537 HydrophobicContact CB-CG 4.35Å; V535-R537 HydrophobicContact CG1-CG 3.87Å; V535-A563 CarbonylContact O-C 3.36Å; V535-A563 WeakPolarHBondContact O-CA 3.13Å; V535-R564 PolarHBondContact N-O 2.86Å; V535-R564 PolarHBondContact O-N 3.5Å; V535-D594 HydrophobicContact CG1-CB 4.18Å; V535-D594 WeakPolarHBondContact CG1-O 3.37Å; V535-K595 HydrophobicContact CG2-CG 3.74Å; V535-D598 WeakPolarHBondContact CG1-OD2 3.48Å
536	H	83.3	Confident	84.8	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.			trans	-81.3	-47.3	-165.8	-170.2	-76.7	0	0	0	112.9	M529 D538 L539 V557 D559 F562 D598	M529-H536 HydrophobicContact SD-CB 3.93Å; H536-D538 PolarHBondContact CE1-O 3.35Å; H536-D538 VanDerWaalsContact ND1-C 3.3Å; H536-D538 PolarHBondContact ND1-N 3.1Å; H536-D538 PolarHBondContact O-N 3.17Å; H536-L539 HydrophobicContact CB-CD1 4.31Å; H536-L539 HydrophobicContact CB-CD2 4.2Å; H536-L539 HydrophobicContact CB-CG 3.89Å; H536-L539 PolarHBondContact ND1-N 3.15Å; H536-V557 VanDerWaalsContact NE2-CG1 3.25Å; H536-V557 WeakPolarHBondContact NE2-CG1 3.37Å; H536-D559 PolarHBondContact CE1-O 3.17Å; H536-D559 PolarHBondContact NE2-O 2.95Å; H536-D559 VanDerWaalsContact NE2-O 3.08Å; H536-F562 CarbonylContact O-C 3.59Å; H536-D598 PolarHBondContact N-OD2 3.36Å
537	R	77.2	Confident	84.7	Confident	82 Å²	82	23.5 Å²	23.5	31%	0.309	12%	0.122	S	C	.	.	S	Bend	trans	64.5	-11.7	174.6	-43.8	-172.3	-48.4	145.9	14.9	117.8	V535 F562 D598	V535-R537 HydrophobicContact CB-CG 4.35Å; V535-R537 HydrophobicContact CG1-CG 3.87Å; R537-F562 PolarHBondContact NE-O 2.85Å; R537-F562 PolarHBondContact NH2-O 3.48Å; R537-D598 WeakPolarHBondContact CA-OD1 3.42Å; R537-D598 PolarHBondContact N-OD1 3.39Å
538	D	79.1	Confident	84.6	Confident	25 Å²	25	27.2 Å²	27.2	13%	0.134	14%	0.141	C	C	.	.			trans	-125.2	44	170	-161.2	53.9	0	0	0	112	H536 K540 N543 F562	H536-D538 PolarHBondContact CE1-O 3.35Å; H536-D538 VanDerWaalsContact ND1-C 3.3Å; H536-D538 PolarHBondContact ND1-N 3.1Å; H536-D538 PolarHBondContact O-N 3.17Å; D538-K540 PolarHBondContact O-N 3.46Å; D538-K540 WeakPolarHBondContact OD2-CE 3.41Å; D538-N543 PolarHBondContact O-ND2 2.85Å; D538-N543 PolarHBondContact OD2-ND2 3.31Å; D538-N543 VanDerWaalsContact OD2-ND2 3.17Å; D538-F562 HydrophobicContact CB-CB 3.89Å; D538-F562 HydrophobicContact CB-CD2 3.7Å; D538-F562 HydrophobicContact CB-CG 4.06Å
539	L	80.5	Confident	84.3	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.159	C	C	.	.			trans	-72.9	121.7	171.5	-72.8	172.3	0	0	0	109.6	V526 H536 V557 D598 S601 Y713	V526-L539 HydrophobicContact CG2-CD1 3.49Å; V526-L539 VanDerWaalsContact CG2-CD1 3.49Å; H536-L539 HydrophobicContact CB-CD1 4.31Å; H536-L539 HydrophobicContact CB-CD2 4.2Å; H536-L539 HydrophobicContact CB-CG 3.89Å; H536-L539 PolarHBondContact ND1-N 3.15Å; L539-V557 HydrophobicContact CD2-CG1 3.87Å; L539-V557 HydrophobicContact CD2-CG2 4.44Å; L539-D598 HydrophobicContact CD1-CB 3.7Å; L539-S601 VanDerWaalsContact O-CB 3.24Å; L539-S601 WeakPolarHBondContact O-CB 3.43Å; L539-S601 PolarHBondContact O-OG 3.07Å; L539-Y713 WeakPolarHBondContact O-CE1 3.44Å; L539-Y713 PolarHBondContact O-OH 2.48Å
540	K	80.8	Confident	83.9	Confident	35 Å²	35	32.8 Å²	32.8	15%	0.152	18%	0.179	C	C	.	.			trans	-155.5	158.2	179.3	56.7	176.1	179.7	158.1	0	109.3	D538 E542 N543 Y713	D538-K540 PolarHBondContact O-N 3.46Å; D538-K540 WeakPolarHBondContact OD2-CE 3.41Å; K540-E542 HydrophobicContact CD-CB 4.24Å; K540-E542 HydrophobicContact CD-CG 4.45Å; K540-E542 WeakPolarHBondContact CE-OE2 3.32Å; K540-E542 HydrophobicContact CG-CB 4.34Å; K540-E542 IonicContact NZ-OE2 2.7Å; K540-E542 PolarHBondContact NZ-OE2 2.61Å; K540-E542 PolarHBondContact O-N 3.45Å; K540-E542 VanDerWaalsContact O-N 3.08Å; K540-N543 WeakPolarHBondContact CE-ND2 3.37Å; K540-N543 WeakPolarHBondContact CE-OD1 3.35Å; K540-N543 HydrophobicContact CG-CB 4.13Å; K540-N543 PolarHBondContact O-N 2.88Å; K540-Y713 HydrophobicContact CB-CD2 3.87Å; K540-Y713 HydrophobicContact CB-CE1 4.41Å; K540-Y713 HydrophobicContact CB-CE2 3.58Å; K540-Y713 HydrophobicContact CB-CG 4.4Å
541	P	77.9	Confident	83.2	Confident	4 Å²	4	40.6 Å²	40.6	3%	0.026	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-55.2	-30.2	-178.3	-27	33.9	0	0	0	115.2	L501 N543 V544 I605 V709	L501-P541 HydrophobicContact CD1-CB 3.72Å; L501-P541 HydrophobicContact CD1-CG 3.88Å; L501-P541 HydrophobicContact CG-CB 3.9Å; L501-P541 HydrophobicContact CG-CG 4.38Å; P541-N543 VanDerWaalsContact C-N 3.25Å; P541-N543 PolarHBondContact O-N 3.05Å; P541-V544 PolarHBondContact O-N 3.19Å; P541-I605 HydrophobicContact CG-CG1 4.1Å; P541-V709 HydrophobicContact CG-CG1 4.11Å
542	E	79.1	Confident	82.8	Confident	33 Å²	33	43.1 Å²	43.1	15%	0.154	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-68.4	-23.2	178.4	-50.6	-177.5	135.2	0	0	113.2	K540 V544 L545 R706 N710	K540-E542 HydrophobicContact CD-CB 4.24Å; K540-E542 HydrophobicContact CD-CG 4.45Å; K540-E542 WeakPolarHBondContact CE-OE2 3.32Å; K540-E542 HydrophobicContact CG-CB 4.34Å; K540-E542 IonicContact NZ-OE2 2.7Å; K540-E542 PolarHBondContact NZ-OE2 2.61Å; K540-E542 PolarHBondContact O-N 3.45Å; K540-E542 VanDerWaalsContact O-N 3.08Å; E542-V544 VanDerWaalsContact C-N 3.33Å; E542-L545 WeakPolarHBondContact O-CD1 3.27Å; E542-R706 IonicContact OE1-CZ 3.89Å; E542-R706 IonicContact OE1-NE 2.66Å; E542-R706 PolarHBondContact OE1-NE 2.88Å; E542-R706 IonicContact OE1-NH2 3.94Å; E542-R706 PolarHBondContact OE1-NH2 3.31Å; E542-N710 PolarHBondContact OE1-ND2 2.91Å; E542-N710 PolarHBondContact OE2-OD1 3.42Å
543	N	86.9	Confident	82.9	Confident	9 Å²	9	42.1 Å²	42.1	5%	0.048	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-96.9	14.2	179.4	-67.2	-5.9	0	0	0	111.7	D538 K540 P541 V557 I558 D559	D538-N543 PolarHBondContact O-ND2 2.85Å; D538-N543 PolarHBondContact OD2-ND2 3.31Å; D538-N543 VanDerWaalsContact OD2-ND2 3.17Å; K540-N543 WeakPolarHBondContact CE-ND2 3.37Å; K540-N543 WeakPolarHBondContact CE-OD1 3.35Å; K540-N543 HydrophobicContact CG-CB 4.13Å; K540-N543 PolarHBondContact O-N 2.88Å; P541-N543 VanDerWaalsContact C-N 3.25Å; P541-N543 PolarHBondContact O-N 3.05Å; N543-V557 WeakPolarHBondContact O-CA 3.3Å; N543-I558 WeakPolarHBondContact O-CG1 3.36Å; N543-I558 PolarHBondContact O-N 3.38Å; N543-D559 HydrophobicContact CB-CB 4.36Å
544	V	88.5	Confident	83.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	110.2	-177	-179.3	0	0	0	0	109.6	L500 L522 P541 E542 L555 K556	L500-V544 HydrophobicContact CB-CB 4.42Å; L500-V544 HydrophobicContact CB-CG1 4.19Å; L500-V544 HydrophobicContact CD2-CG1 4.15Å; L500-V544 PolarHBondContact N-O 2.96Å; L500-V544 VanDerWaalsContact N-O 3.07Å; L522-V544 HydrophobicContact CD2-CG1 3.84Å; L522-V544 HydrophobicContact CD2-CG2 3.99Å; P541-V544 PolarHBondContact O-N 3.19Å; E542-V544 VanDerWaalsContact C-N 3.33Å; V544-L555 HydrophobicContact CG1-CD1 3.59Å; V544-L555 HydrophobicContact CG1-CD2 3.79Å; V544-L555 HydrophobicContact CG1-CG 3.6Å; V544-K556 WeakPolarHBondContact CA-O 3.45Å
545	L	89.9	Confident	83.6	Confident	30 Å²	30	44.8 Å²	44.8	16%	0.157	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.6	-173.3	-85.4	66.6	0	0	0	111.9	L495 G498 E499 E542 K556 I558	L495-L545 HydrophobicContact CB-CB 4.22Å; L495-L545 HydrophobicContact CB-CD2 4.21Å; L495-L545 HydrophobicContact CD1-CB 3.71Å; L495-L545 HydrophobicContact CD1-CD2 4.46Å; G498-L545 VanDerWaalsContact O-CA 3.29Å; G498-L545 WeakPolarHBondContact O-CA 3.48Å; E499-L545 HydrophobicContact CG-CD1 4.32Å; E542-L545 WeakPolarHBondContact O-CD1 3.27Å; L545-K556 PolarHBondContact N-O 2.84Å; L545-K556 PolarHBondContact O-N 2.78Å; L545-I558 HydrophobicContact CB-CG2 4.27Å; L545-I558 HydrophobicContact CD1-CD1 3.59Å; L545-I558 HydrophobicContact CD1-CG1 4.05Å; L545-I558 HydrophobicContact CD2-CD1 4.1Å; L545-I558 HydrophobicContact CG-CD1 4.44Å
546	F	90.8	Very high	84.1	Confident	11 Å²	11	45.8 Å²	45.8	5%	0.048	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	142.5	170.7	-74.9	-81.8	0	0	0	111.6	G497 G498 L500 R503 L518 D548 S553 V554 L555	G497-F546 WeakPolarHBondContact CA-O 3.48Å; G497-F546 PolarHBondContact N-O 3.44Å; G498-F546 PolarHBondContact O-N 2.9Å; L500-F546 HydrophobicContact CD1-CE2 3.93Å; L500-F546 HydrophobicContact CD1-CZ 4.1Å; R503-F546 HydrophobicContact CB-CD2 3.71Å; R503-F546 HydrophobicContact CB-CE2 3.45Å; R503-F546 VanDerWaalsContact CB-CE2 3.45Å; R503-F546 HydrophobicContact CB-CZ 4.41Å; R503-F546 HydrophobicContact CG-CD2 3.7Å; R503-F546 HydrophobicContact CG-CE2 3.48Å; R503-F546 VanDerWaalsContact CG-CE2 3.48Å; R503-F546 HydrophobicContact CG-CG 4.44Å; R503-F546 HydrophobicContact CG-CZ 4.06Å; L518-F546 HydrophobicContact CD1-CZ 4.45Å; L518-F546 HydrophobicContact CD2-CE1 3.72Å; L518-F546 HydrophobicContact CD2-CZ 3.62Å; F546-D548 PolarHBondContact O-N 2.86Å; F546-S553 WeakPolarHBondContact CD1-O 3.38Å; F546-V554 WeakPolarHBondContact CA-O 3.18Å; F546-L555 HydrophobicContact CD1-CD1 3.95Å; F546-L555 HydrophobicContact CD2-CD1 3.99Å; F546-L555 HydrophobicContact CE1-CB 4.39Å; F546-L555 HydrophobicContact CE1-CD1 3.76Å; F546-L555 HydrophobicContact CE2-CD1 3.77Å; F546-L555 HydrophobicContact CG-CD1 4.09Å; F546-L555 HydrophobicContact CZ-CD1 3.67Å
547	T	89	Confident	84.5	Confident	23 Å²	23	45.8 Å²	45.8	14%	0.141	24%	0.238	C	C	.	.	S	Bend	trans	-58.1	-45.2	175.8	60.5	0	0	0	0	112.5	L495 R496 G497 S553 V554 K556	L495-T547 HydrophobicContact CD2-CG2 3.86Å; R496-T547 PolarHBondContact N-O 3.45Å; G497-T547 PolarHBondContact N-O 2.77Å; T547-S553 PolarHBondContact N-OG 2.79Å; T547-S553 VanDerWaalsContact N-OG 3.17Å; T547-S553 PolarHBondContact OG1-OG 2.83Å; T547-S553 VanDerWaalsContact OG1-OG 3.06Å; T547-V554 HydrophobicContact CG2-CB 3.99Å; T547-V554 PolarHBondContact N-O 3.48Å; T547-K556 HydrophobicContact CG2-CD 3.97Å; T547-K556 HydrophobicContact CG2-CG 4.15Å
548	D	88.8	Confident	84.8	Confident	84 Å²	84	43.9 Å²	43.9	45%	0.449	23%	0.233	S	C	.	.	S	Bend	trans	-146.4	171.3	-168.3	-59.7	-79.7	0	0	0	112	G497 F546 G550 S553	G497-D548 WeakPolarHBondContact CA-O 3.21Å; F546-D548 PolarHBondContact O-N 2.86Å; D548-G550 PolarHBondContact O-N 2.87Å; D548-S553 PolarHBondContact N-OG 2.78Å; D548-S553 VanDerWaalsContact O-CB 3.3Å; D548-S553 WeakPolarHBondContact O-CB 3.25Å; D548-S553 PolarHBondContact O-OG 3.29Å; D548-S553 VanDerWaalsContact O-OG 3.09Å
549	E	83	Confident	84.9	Confident	146 Å²	146	44.4 Å²	44.4	68%	0.682	24%	0.236	S	C	*	.	S	Bend	trans	-80.7	4.2	178.6	-59.9	-168.2	148.7	0	0	114	R503	R503-E549 VanDerWaalsContact CZ-O 3.29Å; R503-E549 PolarHBondContact NH1-O 3.13Å; R503-E549 VanDerWaalsContact NH1-O 3.13Å; R503-E549 VanDerWaalsContact NH2-C 3.26Å; R503-E549 PolarHBondContact NH2-O 3.33Å
550	G	81.4	Confident	85.1	Confident	39 Å²	39	44.5 Å²	44.5	40%	0.402	24%	0.236	S	C	.	.	S	Bend	trans	-73.2	157.4	178.4	0	0	0	0	0	114	R503 D548 S553	R503-G550 VanDerWaalsContact NH2-C 3.26Å; R503-G550 PolarHBondContact NH2-O 2.99Å; D548-G550 PolarHBondContact O-N 2.87Å; G550-S553 VanDerWaalsContact O-CB 3.29Å; G550-S553 WeakPolarHBondContact O-CB 3.49Å; G550-S553 PolarHBondContact O-N 2.85Å
551	E	73.6	Confident	84.5	Confident	169 Å²	169	43.8 Å²	43.8	79%	0.79	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-41.4	-178.4	-63.8	-170.7	154.6	0	0	111.9	S553	E551-S553 PolarHBondContact O-N 2.66Å
552	D	76.6	Confident	84.1	Confident	167 Å²	167	49.1 Å²	49.1	89%	0.893	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	23.3	174.5	-53.7	-54.8	0	0	0	113.8	V554	D552-V554 PolarHBondContact O-N 2.8Å
553	S	86.8	Confident	83.8	Confident	17 Å²	17	47.8 Å²	47.8	12%	0.119	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-65	133.2	-176	-177.7	0	0	0	0	111.9	F546 T547 D548 G550 E551	F546-S553 WeakPolarHBondContact CD1-O 3.38Å; T547-S553 PolarHBondContact N-OG 2.79Å; T547-S553 VanDerWaalsContact N-OG 3.17Å; T547-S553 PolarHBondContact OG1-OG 2.83Å; T547-S553 VanDerWaalsContact OG1-OG 3.06Å; D548-S553 PolarHBondContact N-OG 2.78Å; D548-S553 VanDerWaalsContact O-CB 3.3Å; D548-S553 WeakPolarHBondContact O-CB 3.25Å; D548-S553 PolarHBondContact O-OG 3.29Å; D548-S553 VanDerWaalsContact O-OG 3.09Å; G550-S553 VanDerWaalsContact O-CB 3.29Å; G550-S553 WeakPolarHBondContact O-CB 3.49Å; G550-S553 PolarHBondContact O-N 2.85Å; E551-S553 PolarHBondContact O-N 2.66Å
554	V	88.9	Confident	83.2	Confident	62 Å²	62	50.7 Å²	50.7	38%	0.376	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-69.2	134.8	176.2	-178.6	0	0	0	0	110.2	F546 T547 D552 K556	F546-V554 WeakPolarHBondContact CA-O 3.18Å; T547-V554 HydrophobicContact CG2-CB 3.99Å; T547-V554 PolarHBondContact N-O 3.48Å; D552-V554 PolarHBondContact O-N 2.8Å; V554-K556 HydrophobicContact CG1-CG 4.26Å
555	L	90.9	Very high	82.6	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	134.3	174.2	-166.7	71.8	0	0	0	110.5	N474 L500 L518 L522 V544 F546	N474-L555 VanDerWaalsContact CA-O 3.31Å; N474-L555 WeakPolarHBondContact CA-O 3.47Å; N474-L555 VanDerWaalsContact CB-O 3.29Å; N474-L555 WeakPolarHBondContact CB-O 3.44Å; N474-L555 PolarHBondContact ND2-O 3.24Å; L500-L555 HydrophobicContact CD1-CD1 4.09Å; L518-L555 HydrophobicContact CB-CD2 4.35Å; L518-L555 HydrophobicContact CD2-CB 4.43Å; L518-L555 HydrophobicContact CD2-CD1 4.46Å; L518-L555 HydrophobicContact CD2-CD2 4.06Å; L522-L555 HydrophobicContact CD1-CD2 4.24Å; L522-L555 HydrophobicContact CD2-CD2 3.93Å; L522-L555 HydrophobicContact CG-CD2 3.81Å; V544-L555 HydrophobicContact CG1-CD1 3.59Å; V544-L555 HydrophobicContact CG1-CD2 3.79Å; V544-L555 HydrophobicContact CG1-CG 3.6Å; F546-L555 HydrophobicContact CD1-CD1 3.95Å; F546-L555 HydrophobicContact CD2-CD1 3.99Å; F546-L555 HydrophobicContact CE1-CB 4.39Å; F546-L555 HydrophobicContact CE1-CD1 3.76Å; F546-L555 HydrophobicContact CE2-CD1 3.77Å; F546-L555 HydrophobicContact CG-CD1 4.09Å; F546-L555 HydrophobicContact CZ-CD1 3.67Å
556	K	92.8	Very high	81.5	Confident	22 Å²	22	53 Å²	53	10%	0.096	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.1	-176.3	-63.4	-159.5	175.8	-145.4	0	114.7	P473 N474 I475 E493 L495 V544 L545 T547 V554	P473-K556 WeakPolarHBondContact O-CE 3.4Å; P473-K556 PolarHBondContact O-NZ 3.04Å; N474-K556 VanDerWaalsContact O-CA 3.31Å; N474-K556 WeakPolarHBondContact O-CA 3.26Å; I475-K556 PolarHBondContact O-NZ 3.09Å; E493-K556 WeakPolarHBondContact OE1-CD 3.49Å; E493-K556 WeakPolarHBondContact OE1-CE 3.35Å; E493-K556 IonicContact OE1-NZ 2.75Å; E493-K556 PolarHBondContact OE1-NZ 2.93Å; E493-K556 IonicContact OE2-NZ 3.37Å; E493-K556 PolarHBondContact OE2-NZ 3.06Å; L495-K556 HydrophobicContact CD1-CB 4Å; L495-K556 HydrophobicContact CD2-CD 4.02Å; V544-K556 WeakPolarHBondContact CA-O 3.45Å; L545-K556 PolarHBondContact N-O 2.84Å; L545-K556 PolarHBondContact O-N 2.78Å; T547-K556 HydrophobicContact CG2-CD 3.97Å; T547-K556 HydrophobicContact CG2-CG 4.15Å; V554-K556 HydrophobicContact CG1-CG 4.26Å
557	V	91.8	Very high	79.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130	174.7	-176.6	0	0	0	0	111	N474 V476 L522 A525 M529 H536 L539 N543 F560	N474-V557 PolarHBondContact O-N 2.95Å; V476-V557 WeakPolarHBondContact CB-O 3.16Å; V476-V557 PolarHBondContact N-O 3.3Å; L522-V557 HydrophobicContact CD2-CG2 4.05Å; A525-V557 HydrophobicContact CB-CG2 4.29Å; M529-V557 HydrophobicContact CE-CG1 4.36Å; M529-V557 HydrophobicContact CE-CG2 4.35Å; H536-V557 VanDerWaalsContact NE2-CG1 3.25Å; H536-V557 WeakPolarHBondContact NE2-CG1 3.37Å; L539-V557 HydrophobicContact CD2-CG1 3.87Å; L539-V557 HydrophobicContact CD2-CG2 4.44Å; N543-V557 WeakPolarHBondContact O-CA 3.3Å; V557-F560 HydrophobicContact CG1-CE2 4.11Å; V557-F560 HydrophobicContact CG1-CZ 4.45Å
558	I	84.1	Confident	77.7	Confident	42 Å²	42	61.4 Å²	61.4	22%	0.215	35%	0.345	C	S	.	.			trans	-118.4	-14	-162.9	66.3	152.7	0	0	0	118.9	V476 L495 N543 L545	V476-I558 HydrophobicContact CB-CB 4.44Å; V476-I558 HydrophobicContact CB-CG2 4.22Å; V476-I558 HydrophobicContact CG2-CG2 4.38Å; L495-I558 HydrophobicContact CD1-CG2 3.4Å; N543-I558 WeakPolarHBondContact O-CG1 3.36Å; N543-I558 PolarHBondContact O-N 3.38Å; L545-I558 HydrophobicContact CB-CG2 4.27Å; L545-I558 HydrophobicContact CD1-CD1 3.59Å; L545-I558 HydrophobicContact CD1-CG1 4.05Å; L545-I558 HydrophobicContact CD2-CD1 4.1Å; L545-I558 HydrophobicContact CG-CD1 4.44Å
559	D	81.9	Confident	75.6	Confident	36 Å²	36	60.2 Å²	60.2	19%	0.193	35%	0.352	C	S	.	.			trans	-131	98.2	-171.4	-170.6	2.5	0	0	0	113.9	K449 H536 N543 G561	K449-D559 IonicContact NZ-OD1 3.66Å; K449-D559 PolarHBondContact NZ-OD1 2.86Å; K449-D559 IonicContact NZ-OD2 2.7Å; H536-D559 PolarHBondContact CE1-O 3.17Å; H536-D559 PolarHBondContact NE2-O 2.95Å; H536-D559 VanDerWaalsContact NE2-O 3.08Å; N543-D559 HydrophobicContact CB-CB 4.36Å; D559-G561 PolarHBondContact OD1-N 2.62Å
560	F	82.8	Confident	73.4	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.009	36%	0.363	C	S	.	.			trans	-94.3	11.7	-178.3	-74	-110.4	0	0	0	112.9	E462 A465 L466 C469 I475 M529 V534 V557 F562 A563	E462-F560 HydrophobicContact CG-CB 3.97Å; A465-F560 HydrophobicContact CB-CD1 4Å; L466-F560 HydrophobicContact CD2-CB 4.35Å; L466-F560 HydrophobicContact CD2-CD2 3.46Å; L466-F560 VanDerWaalsContact CD2-CD2 3.46Å; L466-F560 HydrophobicContact CD2-CE2 3.85Å; L466-F560 HydrophobicContact CD2-CG 3.9Å; L466-F560 HydrophobicContact CG-CB 4.19Å; L466-F560 HydrophobicContact CG-CD2 4.22Å; L466-F560 HydrophobicContact CG-CG 4.19Å; C469-F560 HydrophobicContact CB-CE1 4.42Å; I475-F560 HydrophobicContact CD1-CZ 4.33Å; I475-F560 HydrophobicContact CG1-CZ 4.47Å; I475-F560 HydrophobicContact CG2-CE2 3.77Å; I475-F560 HydrophobicContact CG2-CZ 3.56Å; M529-F560 HydrophobicContact CE-CZ 4.26Å; M529-F560 HydrophobicContact CG-CE1 4.06Å; M529-F560 HydrophobicContact CG-CZ 4.36Å; M529-F560 HydrophobicContact SD-CE1 3.48Å; M529-F560 WeakPolarHBondContact SD-CE1 3.31Å; M529-F560 HydrophobicContact SD-CZ 3.66Å; V534-F560 HydrophobicContact CG1-CD1 4.35Å; V534-F560 HydrophobicContact CG1-CE1 4.34Å; V557-F560 HydrophobicContact CG1-CE2 4.11Å; V557-F560 HydrophobicContact CG1-CZ 4.45Å; F560-F562 PolarHBondContact O-N 3.26Å; F560-A563 HydrophobicContact CB-CB 4.14Å; F560-A563 HydrophobicContact CD1-CB 4.11Å; F560-A563 WeakPolarHBondContact O-CB 3.4Å; F560-A563 PolarHBondContact O-N 3.14Å
561	G	68.9	Low	71	Confident	21 Å²	21	61.3 Å²	61.3	22%	0.216	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.3	-176.1	0	0	0	0	0	115.6	E462 D559	E462-G561 PolarHBondContact OE1-N 2.76Å; D559-G561 PolarHBondContact OD1-N 2.62Å
562	F	69.2	Low	69.1	Low	116 Å²	116	59 Å²	59	51%	0.509	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	0	174.8	-69	-77.2	0	0	0	114.6	H536 R537 D538 F560	H536-F562 CarbonylContact O-C 3.59Å; R537-F562 PolarHBondContact NE-O 2.85Å; R537-F562 PolarHBondContact NH2-O 3.48Å; D538-F562 HydrophobicContact CB-CB 3.89Å; D538-F562 HydrophobicContact CB-CD2 3.7Å; D538-F562 HydrophobicContact CB-CG 4.06Å; F560-F562 PolarHBondContact O-N 3.26Å
563	A	73.8	Confident	66.9	Low	5 Å²	5	57.9 Å²	57.9	4%	0.041	37%	0.368	C	S	.	.			trans	-65.5	154.3	-174.7	0	0	0	0	0	112.5	A465 V534 V535 F560	A465-A563 HydrophobicContact CB-CB 4.24Å; V534-A563 HydrophobicContact CG1-CB 4.3Å; V535-A563 CarbonylContact O-C 3.36Å; V535-A563 WeakPolarHBondContact O-CA 3.13Å; F560-A563 HydrophobicContact CB-CB 4.14Å; F560-A563 HydrophobicContact CD1-CB 4.11Å; F560-A563 WeakPolarHBondContact O-CB 3.4Å; F560-A563 PolarHBondContact O-N 3.14Å
564	R	74.6	Confident	64.3	Low	70 Å²	70	66 Å²	66	26%	0.264	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.4	178.8	-172.3	178.5	-176.9	-163.6	-3.9	109.4	V535 S590 D594	V535-R564 PolarHBondContact N-O 2.86Å; V535-R564 PolarHBondContact O-N 3.5Å; R564-S590 PolarHBondContact NH1-OG 3.34Å; R564-D594 IonicContact CZ-OD2 3.39Å; R564-D594 IonicContact NH1-OD2 2.66Å; R564-D594 PolarHBondContact NH1-OD2 3.29Å
565	L	75	Confident	61.5	Low	57 Å²	57	68.5 Å²	68.5	30%	0.298	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.8	164.6	-55.8	-179.2	0	0	0	108.2	A464 A465 V534	A464-L565 HydrophobicContact CB-CD1 3.88Å; A465-L565 HydrophobicContact CB-CD2 4.06Å; V534-L565 HydrophobicContact CG2-CD2 3.89Å
566	C	66.2	Low	58.6	Low	21 Å²	21	74.1 Å²	74.1	14%	0.142	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-91.8	125.7	169.3	-72.9	0	0	0	0	108.2	G533 A568	G533-C566 WeakPolarHBondContact O-CB 3.45Å; G533-C566 PolarHBondContact O-N 2.92Å; C566-A568 PolarHBondContact O-N 3.15Å; C566-A568 VanDerWaalsContact O-N 3.15Å
567	P	56.3	Low	55.4	Low	119 Å²	119	78.9 Å²	78.9	77%	0.773	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-57.8	121.6	173.6	-22.7	33.2	0	0	0	110.2	G569	P567-G569 PolarHBondContact O-N 2.9Å
568	A	44.1	Very low	52.3	Low	92 Å²	92	88.6 Å²	88.6	76%	0.76	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-61.7	128.5	173.6	0	0	0	0	0	109.5	C566	C566-A568 PolarHBondContact O-N 3.15Å; C566-A568 VanDerWaalsContact O-N 3.15Å
569	G	44.6	Very low	49.6	Very low	58 Å²	58	91.3 Å²	91.3	60%	0.598	55%	0.552	S	S	*	*	S	Bend	trans	-64.8	151.1	175.2	0	0	0	0	0	111.7	P567	P567-G569 PolarHBondContact O-N 2.9Å
570	S	36.9	Very low	47	Very low	130 Å²	130	96.4 Å²	96.4	91%	0.909	58%	0.578	S	S	*	*			trans	66.4	68.7	170.4	58.6	0	0	0	0	118.5
571	A	31	Very low	44.3	Very low	78 Å²	78	105 Å²	105	65%	0.645	62%	0.619	S	S	*	*			trans	-137.6	130	138	0	0	0	0	0	109.2	L573	A571-L573 PolarHBondContact O-N 3.44Å
572	P	34	Very low	42.6	Very low	122 Å²	122	113.5 Å²	113.5	79%	0.792	65%	0.645	S	S	*	*			trans	-70.3	105.3	174.8	28.4	-32	0	0	0	109.2	Q574	P572-Q574 PolarHBondContact O-N 2.89Å
573	L	31.2	Very low	40.8	Very low	143 Å²	143	110.6 Å²	110.6	75%	0.749	64%	0.642	S	S	*	*			trans	-62.1	91.7	177.5	-77	163.7	0	0	0	111.1	A571 T575	A571-L573 PolarHBondContact O-N 3.44Å; L573-T575 PolarHBondContact O-N 2.96Å
574	Q	32	Very low	38.7	Very low	188 Å²	188	112.1 Å²	112.1	88%	0.879	66%	0.655	S	S	*	*			trans	-77.6	67.4	165.2	-74.5	-147.7	-4.9	0	0	111	P572	P572-Q574 PolarHBondContact O-N 2.89Å
575	T	29.8	Very low	36.7	Very low	113 Å²	113	113.4 Å²	113.4	69%	0.693	67%	0.673	S	S	*	*	S	Bend	trans	-152.5	123.9	157.9	-33.7	0	0	0	0	109	L573 C577	L573-T575 PolarHBondContact O-N 2.96Å; T575-C577 PolarHBondContact O-N 2.98Å
576	P	29.2	Very low	34.7	Very low	122 Å²	122	116.4 Å²	116.4	79%	0.792	69%	0.685	S	S	*	*			trans	-85	104.2	-164	31.9	-34.7	0	0	0	112.7
577	C	25.4	Very low	33.1	Very low	121 Å²	121	119.9 Å²	119.9	82%	0.818	70%	0.702	S	S	*	*			trans	-127.6	133.4	159.6	-76.3	0	0	0	0	108.7	T575	T575-C577 PolarHBondContact O-N 2.98Å
578	F	27.2	Very low	32.2	Very low	204 Å²	204	121 Å²	121	90%	0.895	70%	0.695	S	S	*	*	S	Bend	trans	-67.6	141.6	-156.7	-83.3	-105.3	0	0	0	115.1
579	T	26.9	Very low	32.1	Very low	100 Å²	100	123.6 Å²	123.6	61%	0.613	69%	0.691	S	S	*	*			trans	77.2	64.4	160.1	-39.4	0	0	0	0	117.6	Y582	T579-Y582 HydrophobicContact CG2-CD2 4.16Å
580	L	28.8	Very low	32.2	Very low	143 Å²	143	122.4 Å²	122.4	75%	0.749	67%	0.674	S	S	*	*			trans	-97.1	17.1	165.8	-139.4	118.8	0	0	0	114.1
581	Q	24.1	Very low	32.7	Very low	183 Å²	183	117.4 Å²	117.4	86%	0.855	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	5.2	-176.4	-54.4	-178	24	0	0	113.7
582	Y	34.6	Very low	33.8	Very low	199 Å²	199	115.8 Å²	115.8	78%	0.78	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	22.4	-174.4	-87.5	-85.4	0	0	0	112.8	T579 A584	T579-Y582 HydrophobicContact CG2-CD2 4.16Å; Y582-A584 PolarHBondContact O-N 2.87Å; Y582-A584 VanDerWaalsContact O-N 3.07Å
583	A	31.5	Very low	35	Very low	54 Å²	54	113.2 Å²	113.2	45%	0.446	61%	0.606	S	S	.	*			trans	-69.4	104.1	169.5	0	0	0	0	0	108.9	F588	A583-F588 HydrophobicContact CB-CE2 4.44Å
584	A	29.4	Very low	36.6	Very low	37 Å²	37	106.9 Å²	106.9	31%	0.306	57%	0.573	S	S	.	*			trans	-72.6	145.4	-173.1	0	0	0	0	0	111.6	Y582 E586 L587	Y582-A584 PolarHBondContact O-N 2.87Å; Y582-A584 VanDerWaalsContact O-N 3.07Å; A584-E586 HydrophobicContact CB-CG 4.4Å; A584-E586 VanDerWaalsContact CB-OE1 3.22Å; A584-E586 WeakPolarHBondContact CB-OE1 3.08Å; A584-E586 WeakPolarHBondContact CB-OE2 3.33Å; A584-E586 PolarHBondContact O-N 3.41Å; A584-E586 VanDerWaalsContact O-N 3.12Å; A584-L587 WeakPolarHBondContact O-CB 3.29Å; A584-L587 PolarHBondContact O-N 2.97Å
585	P	32.6	Very low	38.9	Very low	98 Å²	98	101.2 Å²	101.2	64%	0.636	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.1	-170.3	-27.5	35.7	0	0	0	114.8	L587 F588 E589	P585-L587 PolarHBondContact O-N 2.83Å; P585-L587 VanDerWaalsContact O-N 3.08Å; P585-F588 PolarHBondContact O-N 3.13Å; P585-E589 PolarHBondContact O-N 3.4Å
586	E	32.1	Very low	41.2	Very low	119 Å²	119	96.4 Å²	96.4	56%	0.556	52%	0.516	S	S	*	.	H	α-helix	trans	-58.4	-21.8	178.4	62.6	-91.2	-151	0	0	113.5	A584 F588 S590	A584-E586 HydrophobicContact CB-CG 4.4Å; A584-E586 VanDerWaalsContact CB-OE1 3.22Å; A584-E586 WeakPolarHBondContact CB-OE1 3.08Å; A584-E586 WeakPolarHBondContact CB-OE2 3.33Å; A584-E586 PolarHBondContact O-N 3.41Å; A584-E586 VanDerWaalsContact O-N 3.12Å; E586-F588 VanDerWaalsContact C-N 3.31Å; E586-F588 PolarHBondContact O-N 3.18Å; E586-S590 WeakPolarHBondContact O-CB 3.47Å; E586-S590 PolarHBondContact O-N 3.32Å
587	L	33.8	Very low	43.4	Very low	95 Å²	95	90.9 Å²	90.9	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-66.8	-35.3	176.5	-151.2	82.6	0	0	0	111.4	A584 P585 S590	A584-L587 WeakPolarHBondContact O-CB 3.29Å; A584-L587 PolarHBondContact O-N 2.97Å; P585-L587 PolarHBondContact O-N 2.83Å; P585-L587 VanDerWaalsContact O-N 3.08Å; L587-S590 PolarHBondContact O-OG 3Å
588	F	36.2	Very low	46.2	Very low	142 Å²	142	85.1 Å²	85.1	62%	0.623	44%	0.442	S	S	*	.	H	α-helix	trans	-80.2	-40	178.8	-64.3	-83.2	0	0	0	111.8	A583 P585 E586 S590 A591 G592	A583-F588 HydrophobicContact CB-CE2 4.44Å; P585-F588 PolarHBondContact O-N 3.13Å; E586-F588 VanDerWaalsContact C-N 3.31Å; E586-F588 PolarHBondContact O-N 3.18Å; F588-S590 VanDerWaalsContact C-N 3.25Å; F588-S590 PolarHBondContact O-N 2.9Å; F588-A591 WeakPolarHBondContact O-CB 3.42Å; F588-A591 PolarHBondContact O-N 3.44Å; F588-A591 VanDerWaalsContact O-N 3.1Å; F588-G592 PolarHBondContact O-N 2.95Å
589	E	43	Very low	49	Very low	146 Å²	146	75.9 Å²	75.9	68%	0.682	40%	0.402	S	S	*	.	H	α-helix	trans	-57.4	-40.4	169.6	-67.9	-179.7	153.3	0	0	111.1	P585 A591 G592 Y593	P585-E589 PolarHBondContact O-N 3.4Å; E589-A591 PolarHBondContact O-N 2.9Å; E589-A591 VanDerWaalsContact O-N 3.17Å; E589-G592 PolarHBondContact O-N 3.42Å; E589-Y593 WeakPolarHBondContact O-CB 3.38Å; E589-Y593 PolarHBondContact O-N 3.02Å; E589-Y593 VanDerWaalsContact O-N 3.12Å
590	S	45.5	Very low	51.7	Low	34 Å²	34	71.2 Å²	71.2	24%	0.238	37%	0.373	C	S	.	.	H	α-helix	trans	-60.8	-26.5	177.4	86.2	0	0	0	0	114	R564 E586 L587 F588 D594	R564-S590 PolarHBondContact NH1-OG 3.34Å; E586-S590 WeakPolarHBondContact O-CB 3.47Å; E586-S590 PolarHBondContact O-N 3.32Å; L587-S590 PolarHBondContact O-OG 3Å; F588-S590 VanDerWaalsContact C-N 3.25Å; F588-S590 PolarHBondContact O-N 2.9Å; S590-D594 WeakPolarHBondContact O-CB 3.36Å; S590-D594 PolarHBondContact O-N 3.27Å
591	A	47.8	Very low	54.3	Low	25 Å²	25	64.7 Å²	64.7	21%	0.207	34%	0.339	C	S	.	.	H	α-helix	trans	-79.4	-40.6	-178.4	0	0	0	0	0	112.4	F588 E589 K595	F588-A591 WeakPolarHBondContact O-CB 3.42Å; F588-A591 PolarHBondContact O-N 3.44Å; F588-A591 VanDerWaalsContact O-N 3.1Å; E589-A591 PolarHBondContact O-N 2.9Å; E589-A591 VanDerWaalsContact O-N 3.17Å; A591-K595 WeakPolarHBondContact O-CG 3.31Å; A591-K595 PolarHBondContact O-N 2.76Å; A591-K595 VanDerWaalsContact O-N 3.12Å
592	G	54.5	Low	57.4	Low	44 Å²	44	56 Å²	56	45%	0.454	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-43.9	171.4	0	0	0	0	0	111.5	F588 E589 K595 S596	F588-G592 PolarHBondContact O-N 2.95Å; E589-G592 PolarHBondContact O-N 3.42Å; G592-K595 PolarHBondContact O-N 2.69Å; G592-S596 PolarHBondContact O-N 2.91Å; G592-S596 VanDerWaalsContact O-N 3.11Å
593	Y	58.6	Low	59.9	Low	68 Å²	68	46.5 Å²	46.5	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-43.7	176.9	-172.7	-87	0	0	0	113	E589 S596 C597 P666 K720 F724	E589-Y593 WeakPolarHBondContact O-CB 3.38Å; E589-Y593 PolarHBondContact O-N 3.02Å; E589-Y593 VanDerWaalsContact O-N 3.12Å; Y593-S596 PolarHBondContact O-N 3.13Å; Y593-S596 PolarHBondContact O-OG 2.93Å; Y593-C597 PolarHBondContact O-SG 3.29Å; Y593-P666 HydrophobicContact CD2-CB 4.22Å; Y593-P666 HydrophobicContact CD2-CG 4Å; Y593-P666 HydrophobicContact CE2-CB 4.42Å; Y593-P666 HydrophobicContact CE2-CG 3.7Å; Y593-K720 HydrophobicContact CE1-CD 4.39Å; Y593-K720 HydrophobicContact CE1-CG 4.22Å; Y593-F724 HydrophobicContact CE2-CD2 4.5Å; Y593-F724 HydrophobicContact CE2-CE2 4.44Å; Y593-F724 WeakPolarHBondContact OH-CE2 3.26Å
594	D	65.4	Low	62.5	Low	9 Å²	9	43.9 Å²	43.9	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-41.8	175.7	-94.7	-25	0	0	0	111.4	V535 R564 S590 S596 C597 K720	V535-D594 HydrophobicContact CG1-CB 4.18Å; V535-D594 WeakPolarHBondContact CG1-O 3.37Å; R564-D594 IonicContact CZ-OD2 3.39Å; R564-D594 IonicContact NH1-OD2 2.66Å; R564-D594 PolarHBondContact NH1-OD2 3.29Å; S590-D594 WeakPolarHBondContact O-CB 3.36Å; S590-D594 PolarHBondContact O-N 3.27Å; D594-S596 VanDerWaalsContact C-N 3.33Å; D594-S596 PolarHBondContact O-N 3.33Å; D594-C597 VanDerWaalsContact O-CB 3.3Å; D594-C597 WeakPolarHBondContact O-CB 3.28Å; D594-C597 PolarHBondContact O-N 3.34Å; D594-C597 VanDerWaalsContact O-N 3.11Å; D594-K720 IonicContact OD1-NZ 2.68Å; D594-K720 PolarHBondContact OD1-NZ 2.89Å
595	K	79.8	Confident	65.2	Low	69 Å²	69	42.2 Å²	42.2	30%	0.3	23%	0.226	S	C	.	.	H	α-helix	trans	-59.4	-40.2	175.2	-75.7	-173.8	171.5	-166.1	0	112.8	H530 V535 A591 G592 C597 D598	H530-K595 HydrophobicContact CB-CD 4.24Å; H530-K595 PolarHBondContact CE1-O 2.85Å; H530-K595 PolarHBondContact O-NZ 2.99Å; V535-K595 HydrophobicContact CG2-CG 3.74Å; A591-K595 WeakPolarHBondContact O-CG 3.31Å; A591-K595 PolarHBondContact O-N 2.76Å; A591-K595 VanDerWaalsContact O-N 3.12Å; G592-K595 PolarHBondContact O-N 2.69Å; K595-C597 PolarHBondContact O-N 3.12Å; K595-C597 VanDerWaalsContact O-N 3.11Å; K595-D598 PolarHBondContact O-N 3.41Å
596	S	79.1	Confident	68	Low	12 Å²	12	37.5 Å²	37.5	8%	0.084	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-19.3	177.2	83.4	0	0	0	0	114.2	G592 Y593 D594 W600 R669	G592-S596 PolarHBondContact O-N 2.91Å; G592-S596 VanDerWaalsContact O-N 3.11Å; Y593-S596 PolarHBondContact O-N 3.13Å; Y593-S596 PolarHBondContact O-OG 2.93Å; D594-S596 VanDerWaalsContact C-N 3.33Å; D594-S596 PolarHBondContact O-N 3.33Å; S596-W600 PolarHBondContact O-N 3.16Å; S596-R669 PolarHBondContact O-NH1 2.96Å; S596-R669 PolarHBondContact OG-NH1 3.06Å; S596-R669 VanDerWaalsContact OG-NH1 3.09Å
597	C	75.8	Confident	70.8	Confident	7 Å²	7	32.2 Å²	32.2	5%	0.047	17%	0.17	C	C	.	.	H	α-helix	trans	-77.8	-34.4	-179.8	-61.7	0	0	0	0	112	Y593 D594 K595 L599 W600 S601 F716 K720	Y593-C597 PolarHBondContact O-SG 3.29Å; D594-C597 VanDerWaalsContact O-CB 3.3Å; D594-C597 WeakPolarHBondContact O-CB 3.28Å; D594-C597 PolarHBondContact O-N 3.34Å; D594-C597 VanDerWaalsContact O-N 3.11Å; K595-C597 PolarHBondContact O-N 3.12Å; K595-C597 VanDerWaalsContact O-N 3.11Å; C597-L599 VanDerWaalsContact C-N 3.29Å; C597-L599 PolarHBondContact O-N 3.36Å; C597-W600 PolarHBondContact O-N 2.97Å; C597-S601 PolarHBondContact O-N 2.96Å; C597-S601 PolarHBondContact O-OG 2.78Å; C597-F716 HydrophobicContact CB-CE1 4.47Å; C597-K720 PolarHBondContact SG-NZ 3.05Å
598	D	82.9	Confident	73.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.3	-37.4	174	-70.7	-13.9	0	0	0	110.3	V526 H530 V535 H536 R537 L539 K595 S601 L602	V526-D598 HydrophobicContact CG1-CB 3.99Å; H530-D598 IonicContact CD2-OD2 3.28Å; H530-D598 IonicContact CE1-OD2 2.71Å; H530-D598 IonicContact NE2-OD2 3.43Å; H530-D598 PolarHBondContact NE2-OD2 3.44Å; V535-D598 WeakPolarHBondContact CG1-OD2 3.48Å; H536-D598 PolarHBondContact N-OD2 3.36Å; R537-D598 WeakPolarHBondContact CA-OD1 3.42Å; R537-D598 PolarHBondContact N-OD1 3.39Å; L539-D598 HydrophobicContact CD1-CB 3.7Å; K595-D598 PolarHBondContact O-N 3.41Å; D598-S601 WeakPolarHBondContact O-CB 3.34Å; D598-S601 PolarHBondContact O-N 3.35Å; D598-L602 WeakPolarHBondContact O-CG 3.43Å; D598-L602 PolarHBondContact O-N 3.35Å
599	L	85.9	Confident	75.8	Confident	9 Å²	9	20.9 Å²	20.9	5%	0.047	12%	0.117	C	C	.	.	H	α-helix	trans	-66.8	-40.8	175.9	-55.1	-178.4	0	0	0	112.5	V526 C597 S601 L602 G603 L661 L670 L672 L675	V526-L599 HydrophobicContact CG1-CD2 4.41Å; C597-L599 VanDerWaalsContact C-N 3.29Å; C597-L599 PolarHBondContact O-N 3.36Å; L599-S601 VanDerWaalsContact C-N 3.31Å; L599-S601 PolarHBondContact O-N 3.03Å; L599-L602 HydrophobicContact CD2-CD1 4.23Å; L599-L602 WeakPolarHBondContact O-CB 3.42Å; L599-L602 PolarHBondContact O-N 2.95Å; L599-G603 PolarHBondContact O-N 3.09Å; L599-L661 HydrophobicContact CB-CD2 4.23Å; L599-L670 VanDerWaalsContact CD1-O 3.3Å; L599-L670 WeakPolarHBondContact CD1-O 3.26Å; L599-L672 HydrophobicContact CD1-CB 4.35Å; L599-L672 HydrophobicContact CD2-CB 4.34Å; L599-L672 HydrophobicContact CD2-CD1 4.14Å; L599-L675 HydrophobicContact CD2-CD2 3.9Å
600	W	84.3	Confident	78	Confident	2 Å²	2	14 Å²	14	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-59.1	-43.7	170.1	176.1	-80.7	0	0	0	111.6	S596 C597 L602 G603 V604 F616 I635 L662 F716	S596-W600 PolarHBondContact O-N 3.16Å; C597-W600 PolarHBondContact O-N 2.97Å; W600-L602 VanDerWaalsContact C-N 3.32Å; W600-L602 PolarHBondContact O-N 3.27Å; W600-G603 WeakPolarHBondContact O-CA 3.27Å; W600-G603 PolarHBondContact O-N 2.77Å; W600-V604 PolarHBondContact O-N 3.49Å; W600-F616 HydrophobicContact CH2-CE2 4.03Å; W600-F616 AromaticContact CH2-CZ 3.63Å; W600-F616 HydrophobicContact CH2-CZ 3.63Å; W600-F616 AromaticContact CZ2-CE2 3.52Å; W600-F616 HydrophobicContact CZ2-CE2 3.52Å; W600-F616 AromaticContact CZ2-CZ 3.64Å; W600-F616 HydrophobicContact CZ2-CZ 3.64Å; W600-I635 HydrophobicContact CH2-CG2 4.2Å; W600-I635 HydrophobicContact CZ2-CG1 4.41Å; W600-I635 HydrophobicContact CZ2-CG2 4.07Å; W600-L662 HydrophobicContact CD2-CD2 4.16Å; W600-L662 HydrophobicContact CE3-CD2 4.4Å; W600-L662 HydrophobicContact CZ2-CD2 4.36Å; W600-L662 VanDerWaalsContact CZ3-C 3.5Å; W600-L662 WeakPolarHBondContact CZ3-O 3.24Å; W600-F716 HydrophobicContact CB-CE2 4.49Å; W600-F716 HydrophobicContact CB-CZ 4.04Å; W600-F716 AromaticContact CD1-CD1 3.98Å; W600-F716 AromaticContact CD1-CD2 3.84Å; W600-F716 AromaticContact CD1-CE1 3.82Å; W600-F716 AromaticContact CD1-CE2 3.68Å; W600-F716 AromaticContact CD1-CG 3.98Å; W600-F716 AromaticContact CD1-CZ 3.67Å; W600-F716 HydrophobicContact CD2-CD2 4.02Å; W600-F716 AromaticContact CD2-CE2 3.5Å; W600-F716 HydrophobicContact CD2-CE2 3.5Å; W600-F716 AromaticContact CD2-CZ 3.97Å; W600-F716 HydrophobicContact CD2-CZ 3.97Å; W600-F716 AromaticContact CE2-CD2 3.43Å; W600-F716 VanDerWaalsContact CE2-CD2 3.43Å; W600-F716 AromaticContact CE2-CE2 3.44Å; W600-F716 VanDerWaalsContact CE2-CE2 3.44Å; W600-F716 HydrophobicContact CE3-CE2 4.11Å; W600-F716 HydrophobicContact CG-CD2 4.24Å; W600-F716 HydrophobicContact CG-CE1 4.17Å; W600-F716 AromaticContact CG-CE2 3.67Å; W600-F716 HydrophobicContact CG-CE2 3.67Å; W600-F716 AromaticContact CG-CZ 3.62Å; W600-F716 HydrophobicContact CG-CZ 3.62Å; W600-F716 AromaticContact CZ2-CD2 3.76Å; W600-F716 HydrophobicContact CZ2-CD2 3.76Å; W600-F716 AromaticContact CZ2-CE2 3.99Å; W600-F716 HydrophobicContact CZ2-CE2 3.99Å; W600-F716 AromaticContact NE1-CD2 3.34Å; W600-F716 VanDerWaalsContact NE1-CD2 3.34Å; W600-F716 AromaticContact NE1-CE2 3.57Å; W600-F716 AromaticContact NE1-CG 3.63Å
601	S	83.9	Confident	79.9	Confident	6 Å²	6	12.3 Å²	12.3	4%	0.042	7%	0.073	C	C	.	.	H	α-helix	trans	-60.5	-39.2	176.5	-76.4	0	0	0	0	112.8	L539 C597 D598 L599 G603 V604 I605 Y713	L539-S601 VanDerWaalsContact O-CB 3.24Å; L539-S601 WeakPolarHBondContact O-CB 3.43Å; L539-S601 PolarHBondContact O-OG 3.07Å; C597-S601 PolarHBondContact O-N 2.96Å; C597-S601 PolarHBondContact O-OG 2.78Å; D598-S601 WeakPolarHBondContact O-CB 3.34Å; D598-S601 PolarHBondContact O-N 3.35Å; L599-S601 VanDerWaalsContact C-N 3.31Å; L599-S601 PolarHBondContact O-N 3.03Å; S601-G603 VanDerWaalsContact C-N 3.33Å; S601-V604 PolarHBondContact O-N 2.72Å; S601-I605 WeakPolarHBondContact O-CG1 3.42Å; S601-I605 PolarHBondContact O-N 3.28Å; S601-I605 VanDerWaalsContact O-N 3.07Å; S601-Y713 PolarHBondContact O-OH 3.15Å; S601-Y713 WeakPolarHBondContact OG-CE1 3.22Å
602	L	89	Confident	81.5	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.2	-39.4	171.5	-67.3	178.9	0	0	0	111.8	L519 L522 V523 V526 D598 L599 W600 V604 I605 L606 L675	L519-L602 HydrophobicContact CD1-CB 4.24Å; L519-L602 HydrophobicContact CD1-CD2 4.23Å; L522-L602 HydrophobicContact CB-CD2 3.69Å; L522-L602 HydrophobicContact CD1-CD2 4.25Å; V523-L602 HydrophobicContact CG2-CD1 3.95Å; V526-L602 HydrophobicContact CB-CD1 4.33Å; V526-L602 HydrophobicContact CG1-CD1 4.44Å; V526-L602 HydrophobicContact CG2-CD1 4.14Å; V526-L602 HydrophobicContact CG2-CD2 4.22Å; V526-L602 HydrophobicContact CG2-CG 4.41Å; D598-L602 WeakPolarHBondContact O-CG 3.43Å; D598-L602 PolarHBondContact O-N 3.35Å; L599-L602 HydrophobicContact CD2-CD1 4.23Å; L599-L602 WeakPolarHBondContact O-CB 3.42Å; L599-L602 PolarHBondContact O-N 2.95Å; W600-L602 VanDerWaalsContact C-N 3.32Å; W600-L602 PolarHBondContact O-N 3.27Å; L602-V604 PolarHBondContact O-N 3.05Å; L602-I605 PolarHBondContact O-N 3.43Å; L602-L606 WeakPolarHBondContact O-CB 3.45Å; L602-L606 PolarHBondContact O-N 3.4Å; L602-L675 HydrophobicContact CD1-CD2 4.25Å
603	G	87.6	Confident	82.8	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61	-40.9	174.8	0	0	0	0	0	113.5	L599 W600 S601 L606 Y607	L599-G603 PolarHBondContact O-N 3.09Å; W600-G603 WeakPolarHBondContact O-CA 3.27Å; W600-G603 PolarHBondContact O-N 2.77Å; S601-G603 VanDerWaalsContact C-N 3.33Å; G603-L606 PolarHBondContact O-N 3.3Å; G603-Y607 WeakPolarHBondContact O-CB 2.93Å; G603-Y607 PolarHBondContact O-N 3.2Å
604	V	84.9	Confident	83.9	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.7	-42.2	175.1	177.3	0	0	0	0	111	W600 S601 L602 T608 P615 L662 Y713	W600-V604 PolarHBondContact O-N 3.49Å; S601-V604 PolarHBondContact O-N 2.72Å; L602-V604 PolarHBondContact O-N 3.05Å; V604-T608 PolarHBondContact O-N 3.35Å; V604-T608 VanDerWaalsContact O-N 3.17Å; V604-T608 PolarHBondContact O-OG1 2.9Å; V604-P615 HydrophobicContact CG2-CG 4.38Å; V604-L662 HydrophobicContact CG2-CD2 3.73Å; V604-Y713 HydrophobicContact CB-CE1 4.44Å; V604-Y713 HydrophobicContact CG1-CE1 4.5Å; V604-Y713 HydrophobicContact CG1-CE2 3.97Å
605	I	87.5	Confident	84.2	Confident	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-61.9	-48.3	175.4	-65.6	164.5	0	0	0	110.2	L500 L522 P541 S601 L602 T608 M609 Y713	L500-I605 HydrophobicContact CD2-CG2 3.74Å; L522-I605 HydrophobicContact CD1-CD1 4.47Å; L522-I605 HydrophobicContact CD1-CG2 4.02Å; P541-I605 HydrophobicContact CG-CG1 4.1Å; S601-I605 WeakPolarHBondContact O-CG1 3.42Å; S601-I605 PolarHBondContact O-N 3.28Å; S601-I605 VanDerWaalsContact O-N 3.07Å; L602-I605 PolarHBondContact O-N 3.43Å; I605-T608 PolarHBondContact O-N 3.01Å; I605-M609 HydrophobicContact CG2-CE 4.2Å; I605-M609 HydrophobicContact CG2-CG 4.31Å; I605-M609 HydrophobicContact CG2-SD 4.25Å; I605-M609 WeakPolarHBondContact O-CG 3.41Å; I605-M609 PolarHBondContact O-N 2.93Å; I605-Y713 WeakPolarHBondContact CG1-OH 3.22Å
606	L	91.3	Very high	84	Confident	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60	-47.6	179.2	178.7	61.3	0	0	0	112.1	L519 L602 G603 T608 M609 L610 L657 V658 L661 W680	L519-L606 HydrophobicContact CD2-CB 4.3Å; L519-L606 HydrophobicContact CD2-CD1 3.92Å; L519-L606 HydrophobicContact CD2-CD2 3.75Å; L519-L606 HydrophobicContact CD2-CG 4.17Å; L602-L606 WeakPolarHBondContact O-CB 3.45Å; L602-L606 PolarHBondContact O-N 3.4Å; G603-L606 PolarHBondContact O-N 3.3Å; L606-T608 VanDerWaalsContact C-N 3.26Å; L606-T608 PolarHBondContact O-N 3.06Å; L606-M609 HydrophobicContact CD1-CE 4.18Å; L606-M609 PolarHBondContact O-N 3.31Å; L606-M609 VanDerWaalsContact O-N 3.16Å; L606-L610 HydrophobicContact CD1-CD1 3.67Å; L606-L610 HydrophobicContact CD1-CD2 4.42Å; L606-L610 HydrophobicContact CD1-CG 3.82Å; L606-L610 HydrophobicContact CD2-CD1 4.4Å; L606-L610 HydrophobicContact CG-CD1 3.79Å; L606-L610 HydrophobicContact CG-CG 4.32Å; L606-L610 WeakPolarHBondContact O-CG 3.44Å; L606-L610 PolarHBondContact O-N 2.82Å; L606-L657 HydrophobicContact CD2-CB 4.42Å; L606-L657 HydrophobicContact CD2-CD2 3.89Å; L606-L657 HydrophobicContact CD2-CG 3.86Å; L606-V658 HydrophobicContact CB-CG2 4.5Å; L606-V658 HydrophobicContact CD2-CG2 3.52Å; L606-V658 HydrophobicContact CG-CG2 3.73Å; L606-L661 HydrophobicContact CD2-CD1 4.22Å; L606-W680 HydrophobicContact CD1-CH2 3.75Å; L606-W680 HydrophobicContact CD1-CZ3 4.13Å
607	Y	89.5	Confident	83.5	Confident	7 Å²	7	8.5 Å²	8.5	3%	0.027	4%	0.042	C	C	.	.	H	α-helix	trans	-53.8	-46.2	175.8	-175.9	-70.5	0	0	0	110.9	G603 L610 S611 Q613 P615 F640 S641 L642 W647 V658 L662	G603-Y607 WeakPolarHBondContact O-CB 2.93Å; G603-Y607 PolarHBondContact O-N 3.2Å; Y607-L610 PolarHBondContact O-N 2.95Å; Y607-S611 WeakPolarHBondContact CD1-OG 3.46Å; Y607-S611 VanDerWaalsContact CE1-OG 3.29Å; Y607-S611 WeakPolarHBondContact CE1-OG 3.34Å; Y607-S611 PolarHBondContact O-N 2.84Å; Y607-S611 VanDerWaalsContact O-N 3.12Å; Y607-S611 PolarHBondContact O-OG 3.22Å; Y607-Q613 WeakPolarHBondContact CD1-O 3.32Å; Y607-Q613 HydrophobicContact CE1-CB 3.96Å; Y607-P615 HydrophobicContact CD1-CB 4.14Å; Y607-P615 VanDerWaalsContact CD1-CD 3.43Å; Y607-P615 HydrophobicContact CD1-CG 4.23Å; Y607-P615 HydrophobicContact CD2-CB 3.63Å; Y607-P615 HydrophobicContact CD2-CG 4.28Å; Y607-P615 HydrophobicContact CE1-CB 4.3Å; Y607-P615 HydrophobicContact CE2-CB 3.79Å; Y607-P615 HydrophobicContact CG-CB 3.84Å; Y607-P615 HydrophobicContact CG-CG 4.01Å; Y607-F640 HydrophobicContact CD2-CD2 4.26Å; Y607-F640 AromaticContact CE2-CD2 3.96Å; Y607-F640 HydrophobicContact CE2-CD2 3.96Å; Y607-S641 WeakPolarHBondContact CE2-O 3.49Å; Y607-S641 PolarHBondContact OH-O 3.18Å; Y607-L642 HydrophobicContact CD2-CD2 3.9Å; Y607-L642 HydrophobicContact CE2-CD2 3.62Å; Y607-W647 HydrophobicContact CD1-CZ2 4.05Å; Y607-W647 AromaticContact CD2-CH2 3.97Å; Y607-W647 HydrophobicContact CD2-CH2 3.97Å; Y607-W647 AromaticContact CD2-CZ2 3.52Å; Y607-W647 HydrophobicContact CD2-CZ2 3.52Å; Y607-W647 AromaticContact CE1-CZ2 3.91Å; Y607-W647 HydrophobicContact CE1-CZ2 3.91Å; Y607-W647 HydrophobicContact CE2-CH2 4.22Å; Y607-W647 AromaticContact CE2-CZ2 3.37Å; Y607-W647 HydrophobicContact CE2-CZ2 3.37Å; Y607-W647 HydrophobicContact CG-CH2 4.25Å; Y607-W647 AromaticContact CG-CZ2 3.85Å; Y607-W647 HydrophobicContact CG-CZ2 3.85Å; Y607-W647 AromaticContact CZ-CE2 3.98Å; Y607-W647 AromaticContact CZ-CZ2 3.55Å; Y607-W647 AromaticContact CZ-NE1 3.8Å; Y607-W647 PolarHBondContact OH-NE1 3.36Å; Y607-V658 HydrophobicContact CD2-CG1 3.91Å; Y607-L662 HydrophobicContact CD2-CD1 4.22Å
608	T	87.1	Confident	82.7	Confident	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-70.9	-33	-179.8	-56.1	0	0	0	0	112.9	L501 V604 I605 L606 G612 Q613 V705 V709	L501-T608 HydrophobicContact CD1-CG2 3.77Å; L501-T608 HydrophobicContact CD2-CG2 3.78Å; L501-T608 HydrophobicContact CG-CG2 4.46Å; V604-T608 PolarHBondContact O-N 3.35Å; V604-T608 VanDerWaalsContact O-N 3.17Å; V604-T608 PolarHBondContact O-OG1 2.9Å; I605-T608 PolarHBondContact O-N 3.01Å; L606-T608 VanDerWaalsContact C-N 3.26Å; L606-T608 PolarHBondContact O-N 3.06Å; T608-G612 VanDerWaalsContact O-CA 3.31Å; T608-G612 WeakPolarHBondContact O-CA 3.47Å; T608-G612 PolarHBondContact O-N 3.42Å; T608-Q613 VanDerWaalsContact CA-O 3.27Å; T608-Q613 WeakPolarHBondContact CA-O 3.48Å; T608-Q613 WeakPolarHBondContact CB-O 3.37Å; T608-Q613 PolarHBondContact OG1-O 2.95Å; T608-V705 HydrophobicContact CG2-CG1 4.21Å; T608-V709 HydrophobicContact CG2-CG2 4.48Å
609	M	89.1	Confident	81.2	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.2	-38.8	172	-69.2	-167.4	-56.6	0	0	112.5	L500 I504 F510 L518 L519 I605 L606 T694	L500-M609 HydrophobicContact CD1-SD 4.17Å; L500-M609 HydrophobicContact CD2-CG 4.43Å; L500-M609 HydrophobicContact CD2-SD 3.96Å; L500-M609 HydrophobicContact CG-SD 4.45Å; I504-M609 HydrophobicContact CD1-CB 4.42Å; I504-M609 HydrophobicContact CD1-CG 3.84Å; I504-M609 HydrophobicContact CD1-SD 4.26Å; F510-M609 HydrophobicContact CE1-CB 4.48Å; F510-M609 WeakPolarHBondContact CE1-O 3.47Å; L518-M609 HydrophobicContact CB-SD 4.12Å; L518-M609 HydrophobicContact CD1-SD 4.4Å; L519-M609 HydrophobicContact CB-CE 4.15Å; I605-M609 HydrophobicContact CG2-CE 4.2Å; I605-M609 HydrophobicContact CG2-CG 4.31Å; I605-M609 HydrophobicContact CG2-SD 4.25Å; I605-M609 WeakPolarHBondContact O-CG 3.41Å; I605-M609 PolarHBondContact O-N 2.93Å; L606-M609 HydrophobicContact CD1-CE 4.18Å; L606-M609 PolarHBondContact O-N 3.31Å; L606-M609 VanDerWaalsContact O-N 3.16Å; M609-T694 WeakPolarHBondContact O-CB 3.18Å; M609-T694 VanDerWaalsContact O-CG2 3.25Å; M609-T694 WeakPolarHBondContact O-CG2 3.48Å; M609-T694 PolarHBondContact O-OG1 2.69Å
610	L	88.6	Confident	79.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-78.6	-28.9	-176.4	-68.6	173.3	0	0	0	114.3	E512 A515 L606 Y607 W647 V650 A654 V658 W680 L692 T694	E512-L610 HydrophobicContact CG-CD2 4.34Å; A515-L610 HydrophobicContact CB-CD2 4.02Å; L606-L610 HydrophobicContact CD1-CD1 3.67Å; L606-L610 HydrophobicContact CD1-CD2 4.42Å; L606-L610 HydrophobicContact CD1-CG 3.82Å; L606-L610 HydrophobicContact CD2-CD1 4.4Å; L606-L610 HydrophobicContact CG-CD1 3.79Å; L606-L610 HydrophobicContact CG-CG 4.32Å; L606-L610 WeakPolarHBondContact O-CG 3.44Å; L606-L610 PolarHBondContact O-N 2.82Å; Y607-L610 PolarHBondContact O-N 2.95Å; L610-W647 HydrophobicContact CB-CH2 3.92Å; L610-W647 HydrophobicContact CB-CZ3 3.97Å; L610-W647 HydrophobicContact CD1-CH2 4.3Å; L610-W647 HydrophobicContact CD1-CZ3 4.09Å; L610-V650 HydrophobicContact CB-CG2 4.33Å; L610-V650 HydrophobicContact CD1-CG1 4.17Å; L610-V650 HydrophobicContact CD2-CG1 4.35Å; L610-A654 HydrophobicContact CD1-CB 3.87Å; L610-V658 HydrophobicContact CD1-CG2 3.85Å; L610-W680 HydrophobicContact CD2-CZ2 4.16Å; L610-L692 HydrophobicContact CD2-CD1 4.06Å; L610-T694 VanDerWaalsContact C-OG1 3.28Å; L610-T694 PolarHBondContact O-OG1 2.96Å
611	S	86.1	Confident	77.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-121.1	-17.1	-171.9	66.2	0	0	0	0	115.7	Y607 Q613 T694	Y607-S611 WeakPolarHBondContact CD1-OG 3.46Å; Y607-S611 VanDerWaalsContact CE1-OG 3.29Å; Y607-S611 WeakPolarHBondContact CE1-OG 3.34Å; Y607-S611 PolarHBondContact O-N 2.84Å; Y607-S611 VanDerWaalsContact O-N 3.12Å; Y607-S611 PolarHBondContact O-OG 3.22Å; S611-Q613 PolarHBondContact O-N 3.49Å; S611-Q613 PolarHBondContact OG-N 2.58Å; S611-Q613 VanDerWaalsContact OG-N 3.08Å; S611-T694 PolarHBondContact N-OG1 3.25Å
612	G	80.6	Confident	75.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	69.5	0.5	-166.2	0	0	0	0	0	114.7	T608	T608-G612 VanDerWaalsContact O-CA 3.31Å; T608-G612 WeakPolarHBondContact O-CA 3.47Å; T608-G612 PolarHBondContact O-N 3.42Å
613	Q	82.1	Confident	73.1	Confident	73 Å²	73	47.7 Å²	47.7	34%	0.341	24%	0.235	S	C	.	.	S	Bend	trans	-106.6	-179.2	-178	-60.7	-176.9	-7.6	0	0	111.7	Y607 T608 S611 V697	Y607-Q613 WeakPolarHBondContact CD1-O 3.32Å; Y607-Q613 HydrophobicContact CE1-CB 3.96Å; T608-Q613 VanDerWaalsContact CA-O 3.27Å; T608-Q613 WeakPolarHBondContact CA-O 3.48Å; T608-Q613 WeakPolarHBondContact CB-O 3.37Å; T608-Q613 PolarHBondContact OG1-O 2.95Å; S611-Q613 PolarHBondContact O-N 3.49Å; S611-Q613 PolarHBondContact OG-N 2.58Å; S611-Q613 VanDerWaalsContact OG-N 3.08Å; Q613-V697 HydrophobicContact CG-CG1 3.97Å
614	V	80.7	Confident	70.9	Confident	2 Å²	2	55 Å²	55	1%	0.012	28%	0.28	C	S	.	.			trans	-120	132.2	179.3	-170.9	0	0	0	0	108.8	F616 Q617 V705 V709 T712	V614-F616 VanDerWaalsContact C-N 3.3Å; V614-F616 PolarHBondContact O-N 3.11Å; V614-F616 VanDerWaalsContact O-N 3.13Å; V614-Q617 WeakPolarHBondContact O-CB 3.11Å; V614-Q617 PolarHBondContact O-N 3.38Å; V614-V705 HydrophobicContact CG2-CG1 4.08Å; V614-V709 HydrophobicContact CG1-CG2 4.36Å; V614-V709 HydrophobicContact CG2-CG2 3.56Å; V614-T712 HydrophobicContact CG1-CG2 4.4Å; V614-T712 WeakPolarHBondContact CG1-OG1 3.41Å
615	P	72.4	Confident	68.7	Low	5 Å²	5	59.8 Å²	59.8	3%	0.032	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-38.3	-165.3	13	-25.8	0	0	0	114.8	V604 Y607 F640 L662	V604-P615 HydrophobicContact CG2-CG 4.38Å; Y607-P615 HydrophobicContact CD1-CB 4.14Å; Y607-P615 VanDerWaalsContact CD1-CD 3.43Å; Y607-P615 HydrophobicContact CD1-CG 4.23Å; Y607-P615 HydrophobicContact CD2-CB 3.63Å; Y607-P615 HydrophobicContact CD2-CG 4.28Å; Y607-P615 HydrophobicContact CE1-CB 4.3Å; Y607-P615 HydrophobicContact CE2-CB 3.79Å; Y607-P615 HydrophobicContact CG-CB 3.84Å; Y607-P615 HydrophobicContact CG-CG 4.01Å; P615-F640 HydrophobicContact CB-CB 3.88Å; P615-F640 HydrophobicContact CB-CG 4.23Å; P615-F640 WeakPolarHBondContact O-CB 3.38Å; P615-L662 HydrophobicContact CB-CD1 3.79Å; P615-L662 HydrophobicContact CG-CD1 3.95Å
616	F	76.8	Confident	67	Low	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	28.7	-172.7	-53.3	-73.8	0	0	0	112.8	W600 V614 I631 K634 I635 F640 T712	W600-F616 HydrophobicContact CH2-CE2 4.03Å; W600-F616 AromaticContact CH2-CZ 3.63Å; W600-F616 HydrophobicContact CH2-CZ 3.63Å; W600-F616 AromaticContact CZ2-CE2 3.52Å; W600-F616 HydrophobicContact CZ2-CE2 3.52Å; W600-F616 AromaticContact CZ2-CZ 3.64Å; W600-F616 HydrophobicContact CZ2-CZ 3.64Å; V614-F616 VanDerWaalsContact C-N 3.3Å; V614-F616 PolarHBondContact O-N 3.11Å; V614-F616 VanDerWaalsContact O-N 3.13Å; F616-I631 HydrophobicContact CB-CG2 4.02Å; F616-K634 HydrophobicContact CB-CB 4.24Å; F616-K634 HydrophobicContact CD1-CB 3.9Å; F616-I635 HydrophobicContact CB-CG1 4.23Å; F616-I635 HydrophobicContact CD1-CG1 3.91Å; F616-I635 HydrophobicContact CD2-CD1 4.2Å; F616-I635 HydrophobicContact CD2-CG1 3.59Å; F616-I635 HydrophobicContact CE1-CG1 4.14Å; F616-I635 HydrophobicContact CE2-CG1 3.87Å; F616-I635 HydrophobicContact CG-CD1 4.48Å; F616-I635 HydrophobicContact CG-CG1 3.61Å; F616-I635 HydrophobicContact CZ-CG1 4.13Å; F616-F640 HydrophobicContact CD1-CB 4.21Å; F616-F640 HydrophobicContact CE1-CB 4.06Å; F616-F640 AromaticContact CE1-CD1 3.79Å; F616-F640 HydrophobicContact CE1-CD1 3.79Å; F616-F640 HydrophobicContact CE1-CG 4.35Å; F616-F640 HydrophobicContact CZ-CD1 4Å; F616-T712 HydrophobicContact CD2-CG2 3.82Å
617	Q	68.3	Low	65.3	Low	67 Å²	67	63.6 Å²	63.6	31%	0.313	33%	0.334	S	S	.	.			trans	-68.9	151.1	179	-169.6	169.4	-26	0	0	111.7	V614 Y708	V614-Q617 WeakPolarHBondContact O-CB 3.11Å; V614-Q617 PolarHBondContact O-N 3.38Å; Q617-Y708 HydrophobicContact CG-CD2 4.05Å; Q617-Y708 HydrophobicContact CG-CE2 4.1Å
618	S	57.8	Low	63.5	Low	29 Å²	29	65.6 Å²	65.6	20%	0.203	35%	0.352	C	S	.	.			trans	-111.9	134.6	173.9	179	0	0	0	0	109.6	Q620	S618-Q620 VanDerWaalsContact C-N 3.32Å
619	E	53	Low	62.3	Low	193 Å²	193	69.5 Å²	69.5	90%	0.902	38%	0.376	S	S	*	.			trans	-79	-12.6	-179.5	-63.5	-169.6	138.3	0	0	113.5	R621	E619-R621 PolarHBondContact O-N 3.18Å
620	Q	48.3	Very low	61.2	Low	173 Å²	173	72.1 Å²	72.1	81%	0.808	39%	0.39	S	S	*	.			trans	-74.3	89.7	-176.9	-66.9	-149.4	-3.8	0	0	112.4	S618 G622	S618-Q620 VanDerWaalsContact C-N 3.32Å; Q620-G622 VanDerWaalsContact C-N 3.31Å; Q620-G622 PolarHBondContact O-N 3.25Å
621	R	43.2	Very low	60.1	Low	252 Å²	252	72.2 Å²	72.2	95%	0.951	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	84.6	164.9	-71.4	-176	176.4	-174.3	-0.3	110.6	E619	E619-R621 PolarHBondContact O-N 3.18Å
622	G	42.3	Very low	58.9	Low	67 Å²	67	72.7 Å²	72.7	69%	0.691	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	170.3	11.5	174.7	0	0	0	0	0	120.9	Q620	Q620-G622 VanDerWaalsContact C-N 3.31Å; Q620-G622 PolarHBondContact O-N 3.25Å
623	M	38	Very low	58.2	Low	133 Å²	133	76.9 Å²	76.9	66%	0.655	41%	0.412	S	S	*	.			trans	-149.4	106.8	177.5	-143	74.5	162.1	0	0	111.6	S625	M623-S625 VanDerWaalsContact C-N 3.31Å; M623-S625 PolarHBondContact O-N 2.9Å
624	T	42	Very low	57.5	Low	152 Å²	152	75.9 Å²	75.9	93%	0.933	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.6	-173.1	45.8	0	0	0	0	114.8
625	S	38	Very low	57.1	Low	102 Å²	102	75.9 Å²	75.9	71%	0.713	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-22.3	-178.7	51.6	0	0	0	0	115.3	M623	M623-S625 VanDerWaalsContact C-N 3.31Å; M623-S625 PolarHBondContact O-N 2.9Å
626	S	51.7	Low	56.9	Low	39 Å²	39	80.4 Å²	80.4	27%	0.273	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-25.8	178.3	71.7	0	0	0	0	113.4	A628 V629 D630	S626-A628 VanDerWaalsContact C-N 3.32Å; S626-A628 PolarHBondContact O-N 2.82Å; S626-V629 WeakPolarHBondContact O-CA 3.29Å; S626-V629 WeakPolarHBondContact O-CB 3.44Å; S626-V629 PolarHBondContact O-N 2.96Å; S626-D630 VanDerWaalsContact CB-OD2 3.22Å; S626-D630 WeakPolarHBondContact CB-OD2 3.25Å; S626-D630 VanDerWaalsContact O-CG 3.3Å; S626-D630 PolarHBondContact O-N 2.8Å; S626-D630 PolarHBondContact OG-OD2 2.87Å
627	Y	56.8	Low	56.6	Low	41 Å²	41	86.4 Å²	86.4	16%	0.161	45%	0.454	C	S	.	.	H	α-helix	trans	-47.6	-44.6	-166.3	-175	-111.1	0	0	0	115.4	I631 Y708 A711	Y627-I631 HydrophobicContact CD1-CD1 3.93Å; Y627-I631 HydrophobicContact CE1-CD1 3.41Å; Y627-I631 VanDerWaalsContact CE1-CD1 3.41Å; Y627-I631 HydrophobicContact CE1-CG1 4.41Å; Y627-I631 HydrophobicContact CE2-CD1 4.21Å; Y627-I631 HydrophobicContact CE2-CG1 4.38Å; Y627-I631 HydrophobicContact CG-CD1 4.5Å; Y627-I631 VanDerWaalsContact O-CG1 3.29Å; Y627-I631 WeakPolarHBondContact O-CG1 3.29Å; Y627-I631 PolarHBondContact O-N 2.83Å; Y627-I631 VanDerWaalsContact O-N 3.09Å; Y627-Y708 HydrophobicContact CD1-CE1 4.49Å; Y627-Y708 AromaticContact CE1-CD1 3.5Å; Y627-Y708 HydrophobicContact CE1-CD1 3.5Å; Y627-Y708 AromaticContact CE1-CE1 3.69Å; Y627-Y708 HydrophobicContact CE1-CE1 3.69Å; Y627-Y708 HydrophobicContact CE2-CD1 4.15Å; Y627-Y708 AromaticContact CE2-CE1 3.83Å; Y627-Y708 HydrophobicContact CE2-CE1 3.83Å; Y627-Y708 AromaticContact CZ-CD1 3.24Å; Y627-Y708 AromaticContact CZ-CE1 3.35Å; Y627-Y708 AromaticContact CZ-CG 3.96Å; Y627-Y708 WeakPolarHBondContact OH-CB 3.4Å; Y627-Y708 WeakPolarHBondContact OH-CD1 3.22Å; Y627-Y708 WeakPolarHBondContact OH-CE1 3.47Å; Y627-A711 HydrophobicContact CD1-CB 4.46Å; Y627-A711 HydrophobicContact CE1-CB 3.75Å
628	A	51.5	Low	56.7	Low	49 Å²	49	84.4 Å²	84.4	41%	0.405	45%	0.451	S	S	.	.	H	α-helix	trans	-72.8	-30.3	178.3	0	0	0	0	0	113.5	S626 M632	S626-A628 VanDerWaalsContact C-N 3.32Å; S626-A628 PolarHBondContact O-N 2.82Å; A628-M632 WeakPolarHBondContact O-CB 3.3Å; A628-M632 WeakPolarHBondContact O-CE 3Å; A628-M632 VanDerWaalsContact O-CG 3.22Å; A628-M632 WeakPolarHBondContact O-CG 3.25Å; A628-M632 PolarHBondContact O-N 3.13Å; A628-M632 VanDerWaalsContact O-N 3.13Å
629	V	61.5	Low	57.4	Low	83 Å²	83	86.6 Å²	86.6	50%	0.503	46%	0.461	S	S	.	.	H	α-helix	trans	-71.7	-42.4	175.1	-177.6	0	0	0	0	109.9	S626 M632 Q633	S626-V629 WeakPolarHBondContact O-CA 3.29Å; S626-V629 WeakPolarHBondContact O-CB 3.44Å; S626-V629 PolarHBondContact O-N 2.96Å; V629-M632 HydrophobicContact CG2-CE 4.26Å; V629-M632 PolarHBondContact O-N 2.74Å; V629-M632 VanDerWaalsContact O-N 3.15Å; V629-Q633 PolarHBondContact O-N 2.91Å
630	D	65.9	Low	58.8	Low	55 Å²	55	79.1 Å²	79.1	29%	0.294	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-45.9	178.1	-54.4	-27.6	0	0	0	111.1	S626 M632 Q633 K634	S626-D630 VanDerWaalsContact CB-OD2 3.22Å; S626-D630 WeakPolarHBondContact CB-OD2 3.25Å; S626-D630 VanDerWaalsContact O-CG 3.3Å; S626-D630 PolarHBondContact O-N 2.8Å; S626-D630 PolarHBondContact OG-OD2 2.87Å; D630-M632 PolarHBondContact O-N 3.13Å; D630-Q633 PolarHBondContact O-N 3.43Å; D630-K634 WeakPolarHBondContact O-CG 3.33Å; D630-K634 PolarHBondContact O-N 2.75Å
631	I	64.1	Low	60.3	Low	1 Å²	1	73.4 Å²	73.4	1%	0.005	40%	0.404	C	S	.	.	H	α-helix	trans	-58	-47.4	171.5	-65.9	164.1	0	0	0	110.9	F616 Y627 Q633 K634 I635 A711 A715	F616-I631 HydrophobicContact CB-CG2 4.02Å; Y627-I631 HydrophobicContact CD1-CD1 3.93Å; Y627-I631 HydrophobicContact CE1-CD1 3.41Å; Y627-I631 VanDerWaalsContact CE1-CD1 3.41Å; Y627-I631 HydrophobicContact CE1-CG1 4.41Å; Y627-I631 HydrophobicContact CE2-CD1 4.21Å; Y627-I631 HydrophobicContact CE2-CG1 4.38Å; Y627-I631 HydrophobicContact CG-CD1 4.5Å; Y627-I631 VanDerWaalsContact O-CG1 3.29Å; Y627-I631 WeakPolarHBondContact O-CG1 3.29Å; Y627-I631 PolarHBondContact O-N 2.83Å; Y627-I631 VanDerWaalsContact O-N 3.09Å; I631-Q633 VanDerWaalsContact C-N 3.25Å; I631-Q633 PolarHBondContact O-N 3.41Å; I631-K634 PolarHBondContact O-N 3.14Å; I631-I635 HydrophobicContact CG2-CD1 3.56Å; I631-I635 HydrophobicContact CG2-CG1 4.12Å; I631-I635 WeakPolarHBondContact O-CB 3.45Å; I631-I635 VanDerWaalsContact O-CG1 3.28Å; I631-I635 WeakPolarHBondContact O-CG1 3.15Å; I631-I635 PolarHBondContact O-N 3.34Å; I631-A711 HydrophobicContact CD1-CB 3.86Å; I631-A715 HydrophobicContact CB-CB 4.19Å; I631-A715 HydrophobicContact CG2-CB 3.53Å
632	M	62.2	Low	62.3	Low	10 Å²	10	62.2 Å²	62.2	5%	0.049	36%	0.363	C	S	.	.	H	α-helix	trans	-63.1	-34	-179.2	-77	-173.5	-57.8	0	0	112	A628 V629 D630 K636 A715 R718	A628-M632 WeakPolarHBondContact O-CB 3.3Å; A628-M632 WeakPolarHBondContact O-CE 3Å; A628-M632 VanDerWaalsContact O-CG 3.22Å; A628-M632 WeakPolarHBondContact O-CG 3.25Å; A628-M632 PolarHBondContact O-N 3.13Å; A628-M632 VanDerWaalsContact O-N 3.13Å; V629-M632 HydrophobicContact CG2-CE 4.26Å; V629-M632 PolarHBondContact O-N 2.74Å; V629-M632 VanDerWaalsContact O-N 3.15Å; D630-M632 PolarHBondContact O-N 3.13Å; M632-K636 WeakPolarHBondContact O-CB 3.42Å; M632-K636 WeakPolarHBondContact O-CD 3.22Å; M632-K636 WeakPolarHBondContact O-CG 3.41Å; M632-K636 PolarHBondContact O-N 3.48Å; M632-K636 VanDerWaalsContact O-N 3.11Å; M632-A715 HydrophobicContact CG-CB 3.75Å; M632-R718 HydrophobicContact SD-CB 4.23Å; M632-R718 VanDerWaalsContact SD-CD 3.53Å; M632-R718 HydrophobicContact SD-CG 3.84Å
633	Q	65.4	Low	63.9	Low	89 Å²	89	64.9 Å²	64.9	42%	0.416	36%	0.362	S	S	.	.	H	α-helix	trans	-68.9	-49.3	175.2	-169.7	63.1	17	0	0	110.7	V629 D630 I631 I635 K636 E637	V629-Q633 PolarHBondContact O-N 2.91Å; D630-Q633 PolarHBondContact O-N 3.43Å; I631-Q633 VanDerWaalsContact C-N 3.25Å; I631-Q633 PolarHBondContact O-N 3.41Å; Q633-I635 VanDerWaalsContact C-N 3.33Å; Q633-I635 PolarHBondContact O-N 3.36Å; Q633-K636 WeakPolarHBondContact O-CA 3.5Å; Q633-K636 WeakPolarHBondContact O-CB 3.38Å; Q633-K636 PolarHBondContact O-N 3.37Å; Q633-E637 PolarHBondContact NE2-OE1 2.89Å; Q633-E637 WeakPolarHBondContact O-CG 3.4Å; Q633-E637 PolarHBondContact O-N 3.28Å
634	K	68.4	Low	65.9	Low	51 Å²	51	60.7 Å²	60.7	22%	0.222	35%	0.353	C	S	.	.	H	α-helix	trans	-57.8	-41.3	175.4	-73.4	-174.1	166.1	-99.9	0	112.9	F616 D630 I631 K636 E637 G638 D639	F616-K634 HydrophobicContact CB-CB 4.24Å; F616-K634 HydrophobicContact CD1-CB 3.9Å; D630-K634 WeakPolarHBondContact O-CG 3.33Å; D630-K634 PolarHBondContact O-N 2.75Å; I631-K634 PolarHBondContact O-N 3.14Å; K634-K636 VanDerWaalsContact C-N 3.33Å; K634-K636 PolarHBondContact O-N 2.78Å; K634-E637 PolarHBondContact O-N 3.37Å; K634-G638 CarbonylContact O-C 3.58Å; K634-G638 WeakPolarHBondContact O-CA 2.98Å; K634-G638 PolarHBondContact O-N 2.84Å; K634-D639 HydrophobicContact CB-CB 4.28Å; K634-D639 WeakPolarHBondContact CE-OD2 3.45Å; K634-D639 HydrophobicContact CG-CB 4.19Å; K634-D639 IonicContact NZ-OD2 2.82Å; K634-D639 PolarHBondContact NZ-OD2 3.25Å; K634-D639 PolarHBondContact O-N 2.75Å
635	I	71.4	Confident	67.7	Low	2 Å²	2	59.7 Å²	59.7	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-62.7	-37.8	173.6	-71	172.8	0	0	0	111.8	W600 F616 I631 Q633 V664 T712 A715 F716	W600-I635 HydrophobicContact CH2-CG2 4.2Å; W600-I635 HydrophobicContact CZ2-CG1 4.41Å; W600-I635 HydrophobicContact CZ2-CG2 4.07Å; F616-I635 HydrophobicContact CB-CG1 4.23Å; F616-I635 HydrophobicContact CD1-CG1 3.91Å; F616-I635 HydrophobicContact CD2-CD1 4.2Å; F616-I635 HydrophobicContact CD2-CG1 3.59Å; F616-I635 HydrophobicContact CE1-CG1 4.14Å; F616-I635 HydrophobicContact CE2-CG1 3.87Å; F616-I635 HydrophobicContact CG-CD1 4.48Å; F616-I635 HydrophobicContact CG-CG1 3.61Å; F616-I635 HydrophobicContact CZ-CG1 4.13Å; I631-I635 HydrophobicContact CG2-CD1 3.56Å; I631-I635 HydrophobicContact CG2-CG1 4.12Å; I631-I635 WeakPolarHBondContact O-CB 3.45Å; I631-I635 VanDerWaalsContact O-CG1 3.28Å; I631-I635 WeakPolarHBondContact O-CG1 3.15Å; I631-I635 PolarHBondContact O-N 3.34Å; Q633-I635 VanDerWaalsContact C-N 3.33Å; Q633-I635 PolarHBondContact O-N 3.36Å; I635-V664 WeakPolarHBondContact O-CG2 3.26Å; I635-T712 HydrophobicContact CD1-CG2 4.39Å; I635-A715 HydrophobicContact CD1-CB 4.1Å; I635-F716 HydrophobicContact CD1-CB 4.18Å; I635-F716 HydrophobicContact CG2-CD2 4.17Å
636	K	67.3	Low	69.7	Low	101 Å²	101	55.2 Å²	55.2	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-71.5	-33.8	177.8	-74.9	166.7	-174.7	177	0	112.6	M632 Q633 K634 C719	M632-K636 WeakPolarHBondContact O-CB 3.42Å; M632-K636 WeakPolarHBondContact O-CD 3.22Å; M632-K636 WeakPolarHBondContact O-CG 3.41Å; M632-K636 PolarHBondContact O-N 3.48Å; M632-K636 VanDerWaalsContact O-N 3.11Å; Q633-K636 WeakPolarHBondContact O-CA 3.5Å; Q633-K636 WeakPolarHBondContact O-CB 3.38Å; Q633-K636 PolarHBondContact O-N 3.37Å; K634-K636 VanDerWaalsContact C-N 3.33Å; K634-K636 PolarHBondContact O-N 2.78Å; K636-C719 VanDerWaalsContact CE-SG 3.56Å
637	E	71.6	Confident	71.3	Confident	126 Å²	126	53.5 Å²	53.5	59%	0.589	29%	0.294	S	S	*	.	H	α-helix	trans	-84.9	-19.9	179.3	-69.9	171.8	168.9	0	0	112.7	Q633 K634 D639	Q633-E637 PolarHBondContact NE2-OE1 2.89Å; Q633-E637 WeakPolarHBondContact O-CG 3.4Å; Q633-E637 PolarHBondContact O-N 3.28Å; K634-E637 PolarHBondContact O-N 3.37Å; E637-D639 VanDerWaalsContact C-N 3.29Å; E637-D639 HydrophobicContact CB-CB 4.24Å
638	G	69.9	Low	72.5	Confident	25 Å²	25	58.4 Å²	58.4	26%	0.258	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	19.1	-169.6	0	0	0	0	0	112.9	K634 F640 V664	K634-G638 CarbonylContact O-C 3.58Å; K634-G638 WeakPolarHBondContact O-CA 2.98Å; K634-G638 PolarHBondContact O-N 2.84Å; G638-F640 WeakPolarHBondContact O-CD1 3.5Å; G638-F640 PolarHBondContact O-N 3.33Å; G638-F640 VanDerWaalsContact O-N 3.15Å; G638-V664 VanDerWaalsContact CA-CG2 3.45Å
639	D	73.4	Confident	73.9	Confident	74 Å²	74	56.6 Å²	56.6	40%	0.396	30%	0.302	S	S	.	.			trans	-80.7	92	-174.6	178.2	46.5	0	0	0	111.8	K634 E637	K634-D639 HydrophobicContact CB-CB 4.28Å; K634-D639 WeakPolarHBondContact CE-OD2 3.45Å; K634-D639 HydrophobicContact CG-CB 4.19Å; K634-D639 IonicContact NZ-OD2 2.82Å; K634-D639 PolarHBondContact NZ-OD2 3.25Å; K634-D639 PolarHBondContact O-N 2.75Å; E637-D639 VanDerWaalsContact C-N 3.29Å; E637-D639 HydrophobicContact CB-CB 4.24Å
640	F	81.7	Confident	75.1	Confident	36 Å²	36	53 Å²	53	16%	0.158	28%	0.28	C	S	.	.			trans	-133.9	142.7	165.3	64.2	-85.6	0	0	0	109.5	Y607 P615 F616 G638 L642 V658 K659 L662	Y607-F640 HydrophobicContact CD2-CD2 4.26Å; Y607-F640 AromaticContact CE2-CD2 3.96Å; Y607-F640 HydrophobicContact CE2-CD2 3.96Å; P615-F640 HydrophobicContact CB-CB 3.88Å; P615-F640 HydrophobicContact CB-CG 4.23Å; P615-F640 WeakPolarHBondContact O-CB 3.38Å; F616-F640 HydrophobicContact CD1-CB 4.21Å; F616-F640 HydrophobicContact CE1-CB 4.06Å; F616-F640 AromaticContact CE1-CD1 3.79Å; F616-F640 HydrophobicContact CE1-CD1 3.79Å; F616-F640 HydrophobicContact CE1-CG 4.35Å; F616-F640 HydrophobicContact CZ-CD1 4Å; G638-F640 WeakPolarHBondContact O-CD1 3.5Å; G638-F640 PolarHBondContact O-N 3.33Å; G638-F640 VanDerWaalsContact O-N 3.15Å; F640-L642 HydrophobicContact CD2-CD2 4.06Å; F640-L642 HydrophobicContact CD2-CG 4.13Å; F640-L642 HydrophobicContact CE2-CD1 4.02Å; F640-L642 HydrophobicContact CE2-CD2 3.97Å; F640-L642 HydrophobicContact CE2-CG 3.95Å; F640-V658 HydrophobicContact CE2-CG1 4.02Å; F640-K659 HydrophobicContact CZ-CG 4.35Å; F640-L662 HydrophobicContact CD1-CB 4.47Å; F640-L662 HydrophobicContact CD1-CD1 4.45Å; F640-L662 HydrophobicContact CD2-CD1 4.32Å; F640-L662 HydrophobicContact CE1-CB 3.68Å; F640-L662 HydrophobicContact CE1-CD1 4.23Å; F640-L662 HydrophobicContact CE2-CD1 4.08Å; F640-L662 HydrophobicContact CG-CD1 4.49Å; F640-L662 HydrophobicContact CZ-CB 3.74Å; F640-L662 HydrophobicContact CZ-CD1 4.04Å
641	S	80.6	Confident	76.2	Confident	53 Å²	53	51.1 Å²	51.1	37%	0.371	27%	0.272	S	S	.	.			trans	-93.1	147.8	177.9	174.8	0	0	0	0	110.8	Y607 D643	Y607-S641 WeakPolarHBondContact CE2-O 3.49Å; Y607-S641 PolarHBondContact OH-O 3.18Å; S641-D643 VanDerWaalsContact OG-CB 3.29Å; S641-D643 WeakPolarHBondContact OG-CB 3.12Å; S641-D643 PolarHBondContact OG-N 3.27Å; S641-D643 PolarHBondContact OG-OD2 2.94Å
642	L	84.4	Confident	77.3	Confident	17 Å²	17	56.6 Å²	56.6	9%	0.089	30%	0.297	C	S	.	.			trans	-120	29.6	168.9	-59.9	172.6	0	0	0	109.9	Y607 F640 W647 K655 V658 K659	Y607-L642 HydrophobicContact CD2-CD2 3.9Å; Y607-L642 HydrophobicContact CE2-CD2 3.62Å; F640-L642 HydrophobicContact CD2-CD2 4.06Å; F640-L642 HydrophobicContact CD2-CG 4.13Å; F640-L642 HydrophobicContact CE2-CD1 4.02Å; F640-L642 HydrophobicContact CE2-CD2 3.97Å; F640-L642 HydrophobicContact CE2-CG 3.95Å; L642-W647 VanDerWaalsContact C-CG 3.47Å; L642-W647 HydrophobicContact CB-CD2 4.22Å; L642-W647 HydrophobicContact CB-CE3 4.41Å; L642-W647 HydrophobicContact CB-CG 4.47Å; L642-W647 HydrophobicContact CD2-CD2 3.99Å; L642-W647 HydrophobicContact CD2-CE3 4Å; L642-W647 HydrophobicContact CD2-CH2 3.48Å; L642-W647 VanDerWaalsContact CD2-CH2 3.48Å; L642-W647 HydrophobicContact CD2-CZ2 3.43Å; L642-W647 VanDerWaalsContact CD2-CZ2 3.43Å; L642-W647 HydrophobicContact CD2-CZ3 3.74Å; L642-W647 WeakPolarHBondContact O-CB 3.18Å; L642-K655 HydrophobicContact CB-CD 4.46Å; L642-K655 HydrophobicContact CB-CG 4.45Å; L642-K655 HydrophobicContact CD1-CB 3.95Å; L642-K655 HydrophobicContact CD1-CG 4.26Å; L642-V658 HydrophobicContact CD2-CG1 4.01Å; L642-K659 HydrophobicContact CD1-CD 4.28Å; L642-K659 VanDerWaalsContact CD1-CE 3.43Å; L642-K659 HydrophobicContact CD1-CG 3.9Å
643	D	76.4	Confident	78.5	Confident	123 Å²	123	59 Å²	59	66%	0.658	31%	0.31	S	S	*	.			trans	-113.5	167.2	-175.5	-45.2	-80.1	0	0	0	110.1	S641	S641-D643 VanDerWaalsContact OG-CB 3.29Å; S641-D643 WeakPolarHBondContact OG-CB 3.12Å; S641-D643 PolarHBondContact OG-N 3.27Å; S641-D643 PolarHBondContact OG-OD2 2.94Å
644	G	79.9	Confident	79.5	Confident	45 Å²	45	54.8 Å²	54.8	46%	0.464	29%	0.29	S	S	.	.	S	Bend	trans	92.6	177.5	-179.3	0	0	0	0	0	114.2	A646 W647 K648	G644-A646 VanDerWaalsContact C-N 3.28Å; G644-A646 PolarHBondContact O-N 3.18Å; G644-W647 PolarHBondContact O-N 3.38Å; G644-K648 PolarHBondContact O-N 2.61Å
645	E	78.9	Confident	80.5	Confident	132 Å²	132	53.5 Å²	53.5	62%	0.617	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-58.1	-35.5	-168.3	-59.6	-57.1	140.8	0	0	113.8	W647 K648	E645-W647 VanDerWaalsContact C-N 3.26Å; E645-W647 PolarHBondContact O-N 2.92Å; E645-K648 WeakPolarHBondContact OE1-CE 3.49Å; E645-K648 IonicContact OE1-NZ 3.2Å; E645-K648 PolarHBondContact OE1-NZ 2.88Å; E645-K648 WeakPolarHBondContact OE2-CD 3.49Å; E645-K648 VanDerWaalsContact OE2-CE 3.27Å; E645-K648 WeakPolarHBondContact OE2-CE 3.31Å; E645-K648 IonicContact OE2-NZ 2.77Å; E645-K648 PolarHBondContact OE2-NZ 3Å
646	A	80.8	Confident	81.4	Confident	8 Å²	8	60 Å²	60	7%	0.066	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-66.7	-24	179.7	0	0	0	0	0	113.8	G644	G644-A646 VanDerWaalsContact C-N 3.28Å; G644-A646 PolarHBondContact O-N 3.18Å
647	W	85.8	Confident	82.4	Confident	3 Å²	3	55.3 Å²	55.3	1%	0.011	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-102.6	-4.9	-176.2	-71.7	101.9	0	0	0	114.2	Y607 L610 L642 G644 E645 G649 V650 K655 V658	Y607-W647 HydrophobicContact CD1-CZ2 4.05Å; Y607-W647 AromaticContact CD2-CH2 3.97Å; Y607-W647 HydrophobicContact CD2-CH2 3.97Å; Y607-W647 AromaticContact CD2-CZ2 3.52Å; Y607-W647 HydrophobicContact CD2-CZ2 3.52Å; Y607-W647 AromaticContact CE1-CZ2 3.91Å; Y607-W647 HydrophobicContact CE1-CZ2 3.91Å; Y607-W647 HydrophobicContact CE2-CH2 4.22Å; Y607-W647 AromaticContact CE2-CZ2 3.37Å; Y607-W647 HydrophobicContact CE2-CZ2 3.37Å; Y607-W647 HydrophobicContact CG-CH2 4.25Å; Y607-W647 AromaticContact CG-CZ2 3.85Å; Y607-W647 HydrophobicContact CG-CZ2 3.85Å; Y607-W647 AromaticContact CZ-CE2 3.98Å; Y607-W647 AromaticContact CZ-CZ2 3.55Å; Y607-W647 AromaticContact CZ-NE1 3.8Å; Y607-W647 PolarHBondContact OH-NE1 3.36Å; L610-W647 HydrophobicContact CB-CH2 3.92Å; L610-W647 HydrophobicContact CB-CZ3 3.97Å; L610-W647 HydrophobicContact CD1-CH2 4.3Å; L610-W647 HydrophobicContact CD1-CZ3 4.09Å; L642-W647 VanDerWaalsContact C-CG 3.47Å; L642-W647 HydrophobicContact CB-CD2 4.22Å; L642-W647 HydrophobicContact CB-CE3 4.41Å; L642-W647 HydrophobicContact CB-CG 4.47Å; L642-W647 HydrophobicContact CD2-CD2 3.99Å; L642-W647 HydrophobicContact CD2-CE3 4Å; L642-W647 HydrophobicContact CD2-CH2 3.48Å; L642-W647 VanDerWaalsContact CD2-CH2 3.48Å; L642-W647 HydrophobicContact CD2-CZ2 3.43Å; L642-W647 VanDerWaalsContact CD2-CZ2 3.43Å; L642-W647 HydrophobicContact CD2-CZ3 3.74Å; L642-W647 WeakPolarHBondContact O-CB 3.18Å; G644-W647 PolarHBondContact O-N 3.38Å; E645-W647 VanDerWaalsContact C-N 3.26Å; E645-W647 PolarHBondContact O-N 2.92Å; W647-G649 VanDerWaalsContact C-N 3.28Å; W647-G649 PolarHBondContact O-N 3.07Å; W647-V650 HydrophobicContact CE3-CB 3.95Å; W647-V650 HydrophobicContact CE3-CG1 3.97Å; W647-V650 HydrophobicContact CE3-CG2 3.83Å; W647-V650 HydrophobicContact CZ3-CB 4.39Å; W647-V650 HydrophobicContact CZ3-CG1 3.94Å; W647-V650 HydrophobicContact CZ3-CG2 4.25Å; W647-V650 PolarHBondContact O-N 3.07Å; W647-K655 HydrophobicContact CE3-CG 4.02Å; W647-K655 HydrophobicContact CZ3-CG 4.21Å; W647-K655 WeakPolarHBondContact O-CE 3.27Å; W647-K655 PolarHBondContact O-NZ 3.23Å; W647-V658 HydrophobicContact CH2-CG2 4.37Å
648	K	82	Confident	83.3	Confident	144 Å²	144	49.3 Å²	49.3	63%	0.626	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-30.4	178.4	-73	-174.7	-176.2	169.4	0	113.7	G644 E645	G644-K648 PolarHBondContact O-N 2.61Å; E645-K648 WeakPolarHBondContact OE1-CE 3.49Å; E645-K648 IonicContact OE1-NZ 3.2Å; E645-K648 PolarHBondContact OE1-NZ 2.88Å; E645-K648 WeakPolarHBondContact OE2-CD 3.49Å; E645-K648 VanDerWaalsContact OE2-CE 3.27Å; E645-K648 WeakPolarHBondContact OE2-CE 3.31Å; E645-K648 IonicContact OE2-NZ 2.77Å; E645-K648 PolarHBondContact OE2-NZ 3Å
649	G	80	Confident	84.1	Confident	10 Å²	10	53 Å²	53	10%	0.103	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.1	-180	0	0	0	0	0	115	W647 S688	W647-G649 VanDerWaalsContact C-N 3.28Å; W647-G649 PolarHBondContact O-N 3.07Å; G649-S688 WeakPolarHBondContact O-CB 3.45Å; G649-S688 PolarHBondContact O-OG 3.35Å
650	V	87.4	Confident	84.7	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.048	27%	0.266	C	S	.	.	S	Bend	trans	-99.5	135.9	-172.6	-176.2	0	0	0	0	110.7	L610 W647 A654 K655 L692	L610-V650 HydrophobicContact CB-CG2 4.33Å; L610-V650 HydrophobicContact CD1-CG1 4.17Å; L610-V650 HydrophobicContact CD2-CG1 4.35Å; W647-V650 HydrophobicContact CE3-CB 3.95Å; W647-V650 HydrophobicContact CE3-CG1 3.97Å; W647-V650 HydrophobicContact CE3-CG2 3.83Å; W647-V650 HydrophobicContact CZ3-CB 4.39Å; W647-V650 HydrophobicContact CZ3-CG1 3.94Å; W647-V650 HydrophobicContact CZ3-CG2 4.25Å; W647-V650 PolarHBondContact O-N 3.07Å; V650-A654 HydrophobicContact CG1-CB 3.54Å; V650-K655 HydrophobicContact CG1-CG 4.27Å; V650-K655 VanDerWaalsContact O-CE 3.25Å; V650-K655 WeakPolarHBondContact O-CE 3.5Å; V650-K655 PolarHBondContact O-NZ 3.26Å; V650-L692 HydrophobicContact CG2-CD2 3.72Å
651	S	89.4	Confident	84.8	Confident	16 Å²	16	48.7 Å²	48.7	11%	0.112	26%	0.259	C	S	.	.			trans	-64.3	159.8	177.1	76.8	0	0	0	0	113	E512 D653 A654 K655	E512-S651 WeakPolarHBondContact OE1-CB 3.39Å; E512-S651 PolarHBondContact OE1-N 3.02Å; E512-S651 PolarHBondContact OE1-OG 3.34Å; E512-S651 WeakPolarHBondContact OE2-CB 3.08Å; E512-S651 PolarHBondContact OE2-N 3.28Å; S651-D653 VanDerWaalsContact C-N 3.3Å; S651-D653 PolarHBondContact OG-N 3.48Å; S651-A654 PolarHBondContact OG-N 3Å; S651-A654 VanDerWaalsContact OG-N 3.13Å; S651-K655 WeakPolarHBondContact O-CG 3.23Å; S651-K655 PolarHBondContact O-N 2.99Å
652	E	86.8	Confident	85	Confident	116 Å²	116	46.2 Å²	46.2	54%	0.542	24%	0.241	S	C	.	.	H	α-helix	trans	-68.6	-30.7	172.4	-67.7	-54.8	128.3	0	0	112.2	A654 K655 E656	E652-A654 PolarHBondContact O-N 2.88Å; E652-K655 WeakPolarHBondContact O-CB 3.22Å; E652-K655 PolarHBondContact O-N 3.05Å; E652-K655 VanDerWaalsContact O-N 3.12Å; E652-K655 WeakPolarHBondContact OE1-CD 3.4Å; E652-K655 IonicContact OE1-NZ 2.97Å; E652-K655 PolarHBondContact OE1-NZ 3.42Å; E652-E656 PolarHBondContact O-N 2.77Å
653	D	87	Confident	84.9	Confident	60 Å²	60	47.4 Å²	47.4	32%	0.321	25%	0.249	S	C	.	.	H	α-helix	trans	-62.7	-42.2	177.1	-60.6	-38.8	0	0	0	111.3	S651 E656 L657 W680 A685	S651-D653 VanDerWaalsContact C-N 3.3Å; S651-D653 PolarHBondContact OG-N 3.48Å; D653-E656 PolarHBondContact O-N 3.25Å; D653-L657 WeakPolarHBondContact O-CB 3.3Å; D653-L657 PolarHBondContact O-N 3.22Å; D653-W680 HydrophobicContact CB-CB 4.26Å; D653-W680 HydrophobicContact CB-CG 4.4Å; D653-A685 HydrophobicContact CB-CB 4.32Å
654	A	87.1	Confident	84.8	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-42.8	170.7	0	0	0	0	0	112.7	E512 L610 V650 S651 E652 E656 L657 V658 W680	E512-A654 WeakPolarHBondContact OE1-CB 3.43Å; L610-A654 HydrophobicContact CD1-CB 3.87Å; V650-A654 HydrophobicContact CG1-CB 3.54Å; S651-A654 PolarHBondContact OG-N 3Å; S651-A654 VanDerWaalsContact OG-N 3.13Å; E652-A654 PolarHBondContact O-N 2.88Å; A654-E656 VanDerWaalsContact C-N 3.34Å; A654-L657 PolarHBondContact O-N 3.22Å; A654-V658 WeakPolarHBondContact O-CG2 3.35Å; A654-V658 PolarHBondContact O-N 3.47Å; A654-W680 HydrophobicContact CB-CZ2 3.97Å
655	K	89.6	Confident	84.4	Confident	24 Å²	24	43.9 Å²	43.9	10%	0.104	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-38.3	179.7	-70.4	173.6	-158.1	167.8	0	111.4	L642 W647 V650 S651 E652 V658 K659	L642-K655 HydrophobicContact CB-CD 4.46Å; L642-K655 HydrophobicContact CB-CG 4.45Å; L642-K655 HydrophobicContact CD1-CB 3.95Å; L642-K655 HydrophobicContact CD1-CG 4.26Å; W647-K655 HydrophobicContact CE3-CG 4.02Å; W647-K655 HydrophobicContact CZ3-CG 4.21Å; W647-K655 WeakPolarHBondContact O-CE 3.27Å; W647-K655 PolarHBondContact O-NZ 3.23Å; V650-K655 HydrophobicContact CG1-CG 4.27Å; V650-K655 VanDerWaalsContact O-CE 3.25Å; V650-K655 WeakPolarHBondContact O-CE 3.5Å; V650-K655 PolarHBondContact O-NZ 3.26Å; S651-K655 WeakPolarHBondContact O-CG 3.23Å; S651-K655 PolarHBondContact O-N 2.99Å; E652-K655 WeakPolarHBondContact O-CB 3.22Å; E652-K655 PolarHBondContact O-N 3.05Å; E652-K655 VanDerWaalsContact O-N 3.12Å; E652-K655 WeakPolarHBondContact OE1-CD 3.4Å; E652-K655 IonicContact OE1-NZ 2.97Å; E652-K655 PolarHBondContact OE1-NZ 3.42Å; K655-V658 PolarHBondContact O-N 3.09Å; K655-K659 VanDerWaalsContact O-CG 3.26Å; K655-K659 WeakPolarHBondContact O-CG 3.45Å; K655-K659 PolarHBondContact O-N 3.21Å
656	E	89.1	Confident	84.1	Confident	140 Å²	140	38.6 Å²	38.6	65%	0.654	20%	0.198	S	C	*	.	H	α-helix	trans	-65.7	-42.2	173.7	-174.4	161.7	-150	0	0	111.5	E652 D653 A654 V658 K659 G660	E652-E656 PolarHBondContact O-N 2.77Å; D653-E656 PolarHBondContact O-N 3.25Å; A654-E656 VanDerWaalsContact C-N 3.34Å; E656-V658 PolarHBondContact O-N 3.15Å; E656-K659 WeakPolarHBondContact O-CB 3.42Å; E656-K659 PolarHBondContact O-N 3.26Å; E656-G660 PolarHBondContact O-N 3.05Å
657	L	89.4	Confident	83.7	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-44.4	174.3	-177.3	58.8	0	0	0	112.5	L519 L606 D653 A654 G660 L661 L670 L675 W680 L681	L519-L657 HydrophobicContact CD2-CD2 3.99Å; L606-L657 HydrophobicContact CD2-CB 4.42Å; L606-L657 HydrophobicContact CD2-CD2 3.89Å; L606-L657 HydrophobicContact CD2-CG 3.86Å; D653-L657 WeakPolarHBondContact O-CB 3.3Å; D653-L657 PolarHBondContact O-N 3.22Å; A654-L657 PolarHBondContact O-N 3.22Å; L657-G660 PolarHBondContact O-N 3.14Å; L657-L661 HydrophobicContact CD1-CD1 4.28Å; L657-L661 HydrophobicContact CD1-CG 4.47Å; L657-L661 HydrophobicContact CG-CD1 4.29Å; L657-L661 WeakPolarHBondContact O-CG 3.42Å; L657-L661 PolarHBondContact O-N 3.48Å; L657-L661 VanDerWaalsContact O-N 3.07Å; L657-L670 HydrophobicContact CD1-CD2 3.57Å; L657-L675 HydrophobicContact CD1-CD1 3.57Å; L657-W680 HydrophobicContact CD2-CD2 4.08Å; L657-W680 HydrophobicContact CD2-CE3 3.35Å; L657-W680 HydrophobicContact CD2-CZ3 3.81Å; L657-L681 HydrophobicContact CD2-CD1 4.31Å; L657-L681 HydrophobicContact CD2-CG 4.16Å
658	V	88.8	Confident	83.4	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-44.3	173.8	171.7	0	0	0	0	111.3	L606 Y607 L610 F640 L642 W647 A654 K655 E656 L661 L662	L606-V658 HydrophobicContact CB-CG2 4.5Å; L606-V658 HydrophobicContact CD2-CG2 3.52Å; L606-V658 HydrophobicContact CG-CG2 3.73Å; Y607-V658 HydrophobicContact CD2-CG1 3.91Å; L610-V658 HydrophobicContact CD1-CG2 3.85Å; F640-V658 HydrophobicContact CE2-CG1 4.02Å; L642-V658 HydrophobicContact CD2-CG1 4.01Å; W647-V658 HydrophobicContact CH2-CG2 4.37Å; A654-V658 WeakPolarHBondContact O-CG2 3.35Å; A654-V658 PolarHBondContact O-N 3.47Å; K655-V658 PolarHBondContact O-N 3.09Å; E656-V658 PolarHBondContact O-N 3.15Å; V658-L661 PolarHBondContact O-N 3.16Å; V658-L662 HydrophobicContact CG1-CD1 3.82Å; V658-L662 HydrophobicContact CG1-CG 4.42Å; V658-L662 WeakPolarHBondContact O-CB 3.48Å; V658-L662 PolarHBondContact O-N 2.87Å
659	K	87.6	Confident	83.5	Confident	103 Å²	103	47.5 Å²	47.5	45%	0.448	23%	0.232	S	C	.	.	H	α-helix	trans	-60.8	-43.6	175.5	-69.6	166.4	-165.5	170.3	0	112.2	F640 L642 K655 E656 L661 T663	F640-K659 HydrophobicContact CZ-CG 4.35Å; L642-K659 HydrophobicContact CD1-CD 4.28Å; L642-K659 VanDerWaalsContact CD1-CE 3.43Å; L642-K659 HydrophobicContact CD1-CG 3.9Å; K655-K659 VanDerWaalsContact O-CG 3.26Å; K655-K659 WeakPolarHBondContact O-CG 3.45Å; K655-K659 PolarHBondContact O-N 3.21Å; E656-K659 WeakPolarHBondContact O-CB 3.42Å; E656-K659 PolarHBondContact O-N 3.26Å; K659-L661 PolarHBondContact O-N 3.31Å; K659-T663 PolarHBondContact O-N 2.92Å; K659-T663 VanDerWaalsContact O-N 3.08Å; K659-T663 PolarHBondContact O-OG1 3.22Å
660	G	85.7	Confident	83.8	Confident	18 Å²	18	48.7 Å²	48.7	19%	0.186	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-41.4	178.3	0	0	0	0	0	113.1	E656 L657 T663 R669 L670	E656-G660 PolarHBondContact O-N 3.05Å; L657-G660 PolarHBondContact O-N 3.14Å; G660-T663 PolarHBondContact O-OG1 3.06Å; G660-R669 WeakPolarHBondContact O-CG 3.17Å; G660-L670 WeakPolarHBondContact O-CB 3.37Å; G660-L670 PolarHBondContact O-N 2.74Å
661	L	84.7	Confident	83.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-76.6	-37.9	178.8	-66.1	171.6	0	0	0	113.1	L599 L606 L657 V658 K659 T663 R669 L670 L675	L599-L661 HydrophobicContact CB-CD2 4.23Å; L606-L661 HydrophobicContact CD2-CD1 4.22Å; L657-L661 HydrophobicContact CD1-CD1 4.28Å; L657-L661 HydrophobicContact CD1-CG 4.47Å; L657-L661 HydrophobicContact CG-CD1 4.29Å; L657-L661 WeakPolarHBondContact O-CG 3.42Å; L657-L661 PolarHBondContact O-N 3.48Å; L657-L661 VanDerWaalsContact O-N 3.07Å; V658-L661 PolarHBondContact O-N 3.16Å; K659-L661 PolarHBondContact O-N 3.31Å; L661-T663 VanDerWaalsContact C-N 3.28Å; L661-T663 PolarHBondContact O-N 2.57Å; L661-R669 VanDerWaalsContact O-CD 3.29Å; L661-R669 WeakPolarHBondContact O-CD 3.15Å; L661-R669 PolarHBondContact O-NE 3.24Å; L661-L670 HydrophobicContact CD2-CD2 4.24Å; L661-L670 HydrophobicContact CG-CD2 4.37Å; L661-L675 HydrophobicContact CD1-CD1 4.41Å; L661-L675 HydrophobicContact CD2-CD1 4.12Å; L661-L675 HydrophobicContact CD2-CD2 3.98Å
662	L	83.3	Confident	83.5	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	16.3	177.7	-63.5	-178.1	0	0	0	113.8	W600 V604 Y607 P615 F640 V658 V664	W600-L662 HydrophobicContact CD2-CD2 4.16Å; W600-L662 HydrophobicContact CE3-CD2 4.4Å; W600-L662 HydrophobicContact CZ2-CD2 4.36Å; W600-L662 VanDerWaalsContact CZ3-C 3.5Å; W600-L662 WeakPolarHBondContact CZ3-O 3.24Å; V604-L662 HydrophobicContact CG2-CD2 3.73Å; Y607-L662 HydrophobicContact CD2-CD1 4.22Å; P615-L662 HydrophobicContact CB-CD1 3.79Å; P615-L662 HydrophobicContact CG-CD1 3.95Å; F640-L662 HydrophobicContact CD1-CB 4.47Å; F640-L662 HydrophobicContact CD1-CD1 4.45Å; F640-L662 HydrophobicContact CD2-CD1 4.32Å; F640-L662 HydrophobicContact CE1-CB 3.68Å; F640-L662 HydrophobicContact CE1-CD1 4.23Å; F640-L662 HydrophobicContact CE2-CD1 4.08Å; F640-L662 HydrophobicContact CG-CD1 4.49Å; F640-L662 HydrophobicContact CZ-CB 3.74Å; F640-L662 HydrophobicContact CZ-CD1 4.04Å; V658-L662 HydrophobicContact CG1-CD1 3.82Å; V658-L662 HydrophobicContact CG1-CG 4.42Å; V658-L662 WeakPolarHBondContact O-CB 3.48Å; V658-L662 PolarHBondContact O-N 2.87Å; L662-V664 PolarHBondContact O-N 2.83Å
663	T	82.9	Confident	83.4	Confident	42 Å²	42	51 Å²	51	26%	0.258	25%	0.25	S	S	.	.			trans	-65.6	126.6	172.1	-70.6	0	0	0	0	110.3	K659 G660 L661 R668 R669	K659-T663 PolarHBondContact O-N 2.92Å; K659-T663 VanDerWaalsContact O-N 3.08Å; K659-T663 PolarHBondContact O-OG1 3.22Å; G660-T663 PolarHBondContact O-OG1 3.06Å; L661-T663 VanDerWaalsContact C-N 3.28Å; L661-T663 PolarHBondContact O-N 2.57Å; T663-R668 HydrophobicContact CG2-CB 4.01Å; T663-R669 VanDerWaalsContact O-CZ 3.29Å; T663-R669 PolarHBondContact O-NE 3.28Å; T663-R669 PolarHBondContact O-NH2 3.17Å
664	V	75.2	Confident	83.3	Confident	30 Å²	30	51.7 Å²	51.7	18%	0.182	25%	0.254	C	S	.	.	S	Bend	trans	-64.9	-44.7	-173.5	-177.1	0	0	0	0	112.3	I635 G638 L662 P666 R669 F724	I635-V664 WeakPolarHBondContact O-CG2 3.26Å; G638-V664 VanDerWaalsContact CA-CG2 3.45Å; L662-V664 PolarHBondContact O-N 2.83Å; V664-P666 VanDerWaalsContact O-CD 3.28Å; V664-P666 WeakPolarHBondContact O-CD 3.49Å; V664-R669 PolarHBondContact O-NH2 2.93Å; V664-F724 HydrophobicContact CG1-CE1 3.64Å; V664-F724 HydrophobicContact CG1-CZ 4.23Å
665	D	71.6	Confident	83.3	Confident	63 Å²	63	51.7 Å²	51.7	34%	0.337	25%	0.254	S	S	.	.	S	Bend	trans	-72.1	113.6	177.5	-179.1	-8	0	0	0	110.7	E667 R668 R669	D665-E667 VanDerWaalsContact C-N 3.26Å; D665-E667 PolarHBondContact O-N 3.1Å; D665-E667 PolarHBondContact OD1-N 3.46Å; D665-R668 HydrophobicContact CB-CB 4.14Å; D665-R668 HydrophobicContact CB-CG 4.23Å; D665-R668 PolarHBondContact O-N 3.11Å; D665-R668 WeakPolarHBondContact OD2-CD 3.32Å; D665-R668 VanDerWaalsContact OD2-CG 3.31Å; D665-R668 WeakPolarHBondContact OD2-CG 3.19Å; D665-R668 IonicContact OD2-NE 3.62Å; D665-R668 PolarHBondContact OD2-NE 3.32Å; D665-R669 PolarHBondContact O-N 3.42Å
666	P	71	Confident	83	Confident	21 Å²	21	55 Å²	55	14%	0.136	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.3	-178.6	-25	36.9	0	0	0	115.1	Y593 V664 R668 F724	Y593-P666 HydrophobicContact CD2-CB 4.22Å; Y593-P666 HydrophobicContact CD2-CG 4Å; Y593-P666 HydrophobicContact CE2-CB 4.42Å; Y593-P666 HydrophobicContact CE2-CG 3.7Å; V664-P666 VanDerWaalsContact O-CD 3.28Å; V664-P666 WeakPolarHBondContact O-CD 3.49Å; P666-R668 VanDerWaalsContact C-N 3.35Å; P666-F724 HydrophobicContact CG-CE2 4.42Å
667	E	73.9	Confident	82.7	Confident	134 Å²	134	56 Å²	56	63%	0.626	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-23.5	-179.1	-67.6	-58.1	137.1	0	0	112.3	D665	D665-E667 VanDerWaalsContact C-N 3.26Å; D665-E667 PolarHBondContact O-N 3.1Å; D665-E667 PolarHBondContact OD1-N 3.46Å
668	R	78.7	Confident	82.6	Confident	202 Å²	202	57.6 Å²	57.6	76%	0.762	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-13.8	174.6	-61.9	178.8	-170.8	-155.2	-5.7	113.4	T663 D665 P666	T663-R668 HydrophobicContact CG2-CB 4.01Å; D665-R668 HydrophobicContact CB-CB 4.14Å; D665-R668 HydrophobicContact CB-CG 4.23Å; D665-R668 PolarHBondContact O-N 3.11Å; D665-R668 WeakPolarHBondContact OD2-CD 3.32Å; D665-R668 VanDerWaalsContact OD2-CG 3.31Å; D665-R668 WeakPolarHBondContact OD2-CG 3.19Å; D665-R668 IonicContact OD2-NE 3.62Å; D665-R668 PolarHBondContact OD2-NE 3.32Å; P666-R668 VanDerWaalsContact C-N 3.35Å
669	R	85.2	Confident	82.2	Confident	6 Å²	6	60.1 Å²	60.1	2%	0.023	30%	0.299	C	S	.	.	S	Bend	trans	-61	141.3	176.5	-170.4	177.2	-60.6	126	18.3	109.8	S596 G660 L661 T663 V664 D665 K671	S596-R669 PolarHBondContact O-NH1 2.96Å; S596-R669 PolarHBondContact OG-NH1 3.06Å; S596-R669 VanDerWaalsContact OG-NH1 3.09Å; G660-R669 WeakPolarHBondContact O-CG 3.17Å; L661-R669 VanDerWaalsContact O-CD 3.29Å; L661-R669 WeakPolarHBondContact O-CD 3.15Å; L661-R669 PolarHBondContact O-NE 3.24Å; T663-R669 VanDerWaalsContact O-CZ 3.29Å; T663-R669 PolarHBondContact O-NE 3.28Å; T663-R669 PolarHBondContact O-NH2 3.17Å; V664-R669 PolarHBondContact O-NH2 2.93Å; D665-R669 PolarHBondContact O-N 3.42Å; R669-K671 PolarHBondContact O-N 3.02Å
670	L	85.4	Confident	82.2	Confident	36 Å²	36	55.2 Å²	55.2	19%	0.188	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-50.5	126.4	177.3	-173.9	69	0	0	0	110.2	L599 L657 G660 L661 D674 L675	L599-L670 VanDerWaalsContact CD1-O 3.3Å; L599-L670 WeakPolarHBondContact CD1-O 3.26Å; L657-L670 HydrophobicContact CD1-CD2 3.57Å; G660-L670 WeakPolarHBondContact O-CB 3.37Å; G660-L670 PolarHBondContact O-N 2.74Å; L661-L670 HydrophobicContact CD2-CD2 4.24Å; L661-L670 HydrophobicContact CG-CD2 4.37Å; L670-D674 HydrophobicContact CD1-CB 3.63Å; L670-D674 HydrophobicContact CG-CB 4.4Å; L670-L675 HydrophobicContact CD2-CB 4.24Å; L670-L675 HydrophobicContact CD2-CD1 3.84Å; L670-L675 HydrophobicContact CG-CB 4.43Å
671	K	86.1	Confident	82.1	Confident	103 Å²	103	54.6 Å²	54.6	45%	0.448	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-86.5	160	-177.1	-61.8	178.7	179	177.3	0	110.4	R669 S673 D674 L675	R669-K671 PolarHBondContact O-N 3.02Å; K671-S673 PolarHBondContact O-N 3.47Å; K671-D674 WeakPolarHBondContact CB-OD2 3.49Å; K671-D674 PolarHBondContact N-OD2 3.26Å; K671-D674 PolarHBondContact O-N 2.73Å; K671-D674 VanDerWaalsContact O-N 3.14Å; K671-L675 VanDerWaalsContact O-CB 3.31Å; K671-L675 WeakPolarHBondContact O-CB 3.48Å; K671-L675 PolarHBondContact O-N 3.08Å
672	L	84.8	Confident	81.8	Confident	24 Å²	24	59.5 Å²	59.5	13%	0.126	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-30.2	-178.8	-179.7	67.2	0	0	0	113	V523 H530 L599 L675 K676	V523-L672 HydrophobicContact CG1-CD1 4.3Å; H530-L672 HydrophobicContact CB-CD2 3.99Å; L599-L672 HydrophobicContact CD1-CB 4.35Å; L599-L672 HydrophobicContact CD2-CB 4.34Å; L599-L672 HydrophobicContact CD2-CD1 4.14Å; L672-L675 HydrophobicContact CD1-CD2 4.47Å; L672-K676 WeakPolarHBondContact O-CG 3.18Å; L672-K676 PolarHBondContact O-N 2.93Å
673	S	83.8	Confident	81.1	Confident	62 Å²	62	61.9 Å²	61.9	43%	0.434	32%	0.318	S	S	.	.	H	α-helix	trans	-58.4	-56.8	170.5	39.6	0	0	0	0	110.9	K671 L675 K676 E677	K671-S673 PolarHBondContact O-N 3.47Å; S673-L675 VanDerWaalsContact C-N 3.25Å; S673-L675 PolarHBondContact O-N 2.99Å; S673-K676 WeakPolarHBondContact O-CB 3.29Å; S673-K676 PolarHBondContact O-N 3.09Å; S673-K676 VanDerWaalsContact O-N 3.07Å; S673-E677 PolarHBondContact O-N 3.32Å
674	D	84.9	Confident	80.1	Confident	74 Å²	74	67.7 Å²	67.7	40%	0.396	34%	0.342	S	S	.	.	H	α-helix	trans	-68.6	-30.7	-173.1	-33.6	-19.9	0	0	0	110.4	L670 K671 E677 N678	L670-D674 HydrophobicContact CD1-CB 3.63Å; L670-D674 HydrophobicContact CG-CB 4.4Å; K671-D674 WeakPolarHBondContact CB-OD2 3.49Å; K671-D674 PolarHBondContact N-OD2 3.26Å; K671-D674 PolarHBondContact O-N 2.73Å; K671-D674 VanDerWaalsContact O-N 3.14Å; D674-E677 PolarHBondContact O-N 2.94Å; D674-N678 PolarHBondContact O-N 3.3Å
675	L	86.6	Confident	79.6	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-68.1	-35.9	173.1	-176	60.8	0	0	0	112.7	V523 L599 L602 L657 L661 L670 K671 L672 S673 N678 L681	V523-L675 HydrophobicContact CG1-CD2 4.14Å; V523-L675 HydrophobicContact CG1-CG 4.07Å; V523-L675 HydrophobicContact CG2-CD1 4.43Å; V523-L675 HydrophobicContact CG2-CD2 3.71Å; V523-L675 HydrophobicContact CG2-CG 3.97Å; L599-L675 HydrophobicContact CD2-CD2 3.9Å; L602-L675 HydrophobicContact CD1-CD2 4.25Å; L657-L675 HydrophobicContact CD1-CD1 3.57Å; L661-L675 HydrophobicContact CD1-CD1 4.41Å; L661-L675 HydrophobicContact CD2-CD1 4.12Å; L661-L675 HydrophobicContact CD2-CD2 3.98Å; L670-L675 HydrophobicContact CD2-CB 4.24Å; L670-L675 HydrophobicContact CD2-CD1 3.84Å; L670-L675 HydrophobicContact CG-CB 4.43Å; K671-L675 VanDerWaalsContact O-CB 3.31Å; K671-L675 WeakPolarHBondContact O-CB 3.48Å; K671-L675 PolarHBondContact O-N 3.08Å; L672-L675 HydrophobicContact CD1-CD2 4.47Å; S673-L675 VanDerWaalsContact C-N 3.25Å; S673-L675 PolarHBondContact O-N 2.99Å; L675-N678 WeakPolarHBondContact O-CB 3.32Å; L675-L681 HydrophobicContact CD1-CD1 3.49Å; L675-L681 VanDerWaalsContact CD1-CD1 3.49Å; L675-L681 HydrophobicContact CG-CD1 4Å; L675-L681 VanDerWaalsContact O-CD1 3.28Å; L675-L681 WeakPolarHBondContact O-CD1 3.35Å
676	K	84.4	Confident	79.1	Confident	92 Å²	92	69.2 Å²	69.2	40%	0.4	36%	0.361	S	S	.	.	H	α-helix	trans	-68.9	-36.7	174	-74.9	173.8	178.8	179.8	0	111.9	V523 S527 D531 L672 S673 N678 Q682	V523-K676 HydrophobicContact CG1-CG 4.49Å; S527-K676 WeakPolarHBondContact OG-CE 3.31Å; S527-K676 PolarHBondContact OG-NZ 3.4Å; D531-K676 IonicContact OD2-NZ 2.65Å; L672-K676 WeakPolarHBondContact O-CG 3.18Å; L672-K676 PolarHBondContact O-N 2.93Å; S673-K676 WeakPolarHBondContact O-CB 3.29Å; S673-K676 PolarHBondContact O-N 3.09Å; S673-K676 VanDerWaalsContact O-N 3.07Å; K676-N678 VanDerWaalsContact C-N 3.27Å; K676-N678 PolarHBondContact O-N 3.18Å; K676-Q682 PolarHBondContact O-NE2 3.49Å
677	E	83.2	Confident	79.2	Confident	163 Å²	163	70.1 Å²	70.1	76%	0.762	36%	0.363	S	S	*	.	S	Bend	trans	-85.7	1.9	-177.8	-65.5	177.6	-173	0	0	112.9	S673 D674 S679	S673-E677 PolarHBondContact O-N 3.32Å; D674-E677 PolarHBondContact O-N 2.94Å; E677-S679 PolarHBondContact O-N 2.84Å
678	N	85.9	Confident	79.1	Confident	35 Å²	35	65.1 Å²	65.1	19%	0.187	34%	0.343	C	S	.	.			trans	-69.7	124.9	-177.3	-177.9	-88.9	0	0	0	112.3	D674 L675 K676 W680 L681 Q682	D674-N678 PolarHBondContact O-N 3.3Å; L675-N678 WeakPolarHBondContact O-CB 3.32Å; K676-N678 VanDerWaalsContact C-N 3.27Å; K676-N678 PolarHBondContact O-N 3.18Å; N678-W680 VanDerWaalsContact C-N 3.27Å; N678-W680 PolarHBondContact O-N 3.32Å; N678-W680 VanDerWaalsContact OD1-CB 3.25Å; N678-W680 WeakPolarHBondContact OD1-CB 3.48Å; N678-W680 PolarHBondContact OD1-N 3.24Å; N678-W680 VanDerWaalsContact OD1-N 3.09Å; N678-L681 HydrophobicContact CB-CB 4.48Å; N678-L681 PolarHBondContact O-N 3.27Å; N678-L681 PolarHBondContact OD1-N 3.06Å; N678-Q682 PolarHBondContact O-N 3.32Å
679	S	81.8	Confident	78.7	Confident	52 Å²	52	62.4 Å²	62.4	36%	0.364	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-27.3	-176	42.2	0	0	0	0	114.7	E677 G683 E684 A685	E677-S679 PolarHBondContact O-N 2.84Å; S679-G683 PolarHBondContact O-N 3.4Å; S679-E684 PolarHBondContact O-N 3.17Å; S679-A685 PolarHBondContact O-N 3.35Å; S679-A685 VanDerWaalsContact O-N 3.16Å
680	W	86.5	Confident	78.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-72.1	-35.9	173.6	-172.1	93	0	0	0	112.1	E512 A515 S516 L519 L606 L610 D653 A654 L657 N678 A685 M687	E512-W680 HydrophobicContact CG-CZ2 3.61Å; E512-W680 PolarHBondContact OE1-NE1 2.9Å; A515-W680 HydrophobicContact CB-CH2 4.46Å; S516-W680 VanDerWaalsContact CA-CZ3 3.5Å; S516-W680 PolarHBondContact OG-O 2.87Å; L519-W680 HydrophobicContact CD2-CZ3 4.09Å; L606-W680 HydrophobicContact CD1-CH2 3.75Å; L606-W680 HydrophobicContact CD1-CZ3 4.13Å; L610-W680 HydrophobicContact CD2-CZ2 4.16Å; D653-W680 HydrophobicContact CB-CB 4.26Å; D653-W680 HydrophobicContact CB-CG 4.4Å; A654-W680 HydrophobicContact CB-CZ2 3.97Å; L657-W680 HydrophobicContact CD2-CD2 4.08Å; L657-W680 HydrophobicContact CD2-CE3 3.35Å; L657-W680 HydrophobicContact CD2-CZ3 3.81Å; N678-W680 VanDerWaalsContact C-N 3.27Å; N678-W680 PolarHBondContact O-N 3.32Å; N678-W680 VanDerWaalsContact OD1-CB 3.25Å; N678-W680 WeakPolarHBondContact OD1-CB 3.48Å; N678-W680 PolarHBondContact OD1-N 3.24Å; N678-W680 VanDerWaalsContact OD1-N 3.09Å; W680-A685 HydrophobicContact CB-CB 4.27Å; W680-M687 HydrophobicContact CB-CE 4.27Å; W680-M687 HydrophobicContact CD2-CE 3.75Å; W680-M687 HydrophobicContact CG-CE 3.53Å; W680-M687 WeakPolarHBondContact O-CE 3.12Å
681	L	83.3	Confident	77.9	Confident	5 Å²	5	67 Å²	67	3%	0.026	38%	0.381	C	S	.	.	H	α-helix	trans	-79	-22.2	174.9	-82.1	173.1	0	0	0	114.1	L519 Q520 V523 L657 L675 N678	L519-L681 HydrophobicContact CB-CD2 3.96Å; L519-L681 HydrophobicContact CD2-CD1 4.32Å; L519-L681 HydrophobicContact CD2-CD2 3.93Å; L519-L681 HydrophobicContact CD2-CG 4.44Å; L519-L681 HydrophobicContact CG-CD2 3.91Å; Q520-L681 HydrophobicContact CB-CD2 4.11Å; Q520-L681 PolarHBondContact NE2-O 3.1Å; V523-L681 HydrophobicContact CG2-CD1 4.1Å; L657-L681 HydrophobicContact CD2-CD1 4.31Å; L657-L681 HydrophobicContact CD2-CG 4.16Å; L675-L681 HydrophobicContact CD1-CD1 3.49Å; L675-L681 VanDerWaalsContact CD1-CD1 3.49Å; L675-L681 HydrophobicContact CG-CD1 4Å; L675-L681 VanDerWaalsContact O-CD1 3.28Å; L675-L681 WeakPolarHBondContact O-CD1 3.35Å; N678-L681 HydrophobicContact CB-CB 4.48Å; N678-L681 PolarHBondContact O-N 3.27Å; N678-L681 PolarHBondContact OD1-N 3.06Å
682	Q	79.1	Confident	77.8	Confident	103 Å²	103	62.5 Å²	62.5	48%	0.481	36%	0.361	S	S	.	.	H	α-helix	trans	-85.2	-9.8	172.8	-65.1	-60.3	-26.1	0	0	113.2	K676 N678 E684	K676-Q682 PolarHBondContact O-NE2 3.49Å; N678-Q682 PolarHBondContact O-N 3.32Å; Q682-E684 VanDerWaalsContact C-N 3.26Å; Q682-E684 HydrophobicContact CB-CG 4.08Å; Q682-E684 PolarHBondContact O-N 2.86Å
683	G	68.9	Low	77.6	Confident	53 Å²	53	63.5 Å²	63.5	55%	0.546	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	14.5	-177.2	0	0	0	0	0	114.1	S679	S679-G683 PolarHBondContact O-N 3.4Å
684	E	61.8	Low	77.4	Confident	163 Å²	163	60.5 Å²	60.5	76%	0.762	35%	0.349	S	S	*	.			trans	-84.4	-16	176	-60.6	-174.1	161	0	0	112.3	S679 Q682	S679-E684 PolarHBondContact O-N 3.17Å; Q682-E684 VanDerWaalsContact C-N 3.26Å; Q682-E684 HydrophobicContact CB-CG 4.08Å; Q682-E684 PolarHBondContact O-N 2.86Å
685	A	64.6	Low	77.1	Confident	18 Å²	18	57.4 Å²	57.4	15%	0.149	33%	0.333	C	S	.	.	S	Bend	trans	-76.2	158.4	178	0	0	0	0	0	113.9	D653 S679 W680 M687	D653-A685 HydrophobicContact CB-CB 4.32Å; S679-A685 PolarHBondContact O-N 3.35Å; S679-A685 VanDerWaalsContact O-N 3.16Å; W680-A685 HydrophobicContact CB-CB 4.27Å; A685-M687 VanDerWaalsContact C-N 3.29Å; A685-M687 PolarHBondContact O-N 3.33Å
686	S	61.7	Low	76.7	Confident	108 Å²	108	62.8 Å²	62.8	76%	0.755	36%	0.362	S	S	*	.			trans	-79	73.9	178.1	179.2	0	0	0	0	111.9
687	M	72.1	Confident	76.4	Confident	40 Å²	40	59.8 Å²	59.8	20%	0.197	35%	0.351	C	S	.	.			trans	-51.6	140.4	177.1	-68.4	-78.8	159	0	0	113.2	E512 W680 A685 T689	E512-M687 HydrophobicContact CB-SD 4.14Å; E512-M687 HydrophobicContact CG-SD 3.74Å; W680-M687 HydrophobicContact CB-CE 4.27Å; W680-M687 HydrophobicContact CD2-CE 3.75Å; W680-M687 HydrophobicContact CG-CE 3.53Å; W680-M687 WeakPolarHBondContact O-CE 3.12Å; A685-M687 VanDerWaalsContact C-N 3.29Å; A685-M687 PolarHBondContact O-N 3.33Å; M687-T689 PolarHBondContact O-N 2.98Å
688	S	72.7	Confident	76.1	Confident	29 Å²	29	52.2 Å²	52.2	20%	0.203	32%	0.316	C	S	.	.			trans	-67.1	128.5	168.4	-175.3	0	0	0	0	110.6	E512 G649 T690	E512-S688 WeakPolarHBondContact OE2-CA 3.1Å; E512-S688 WeakPolarHBondContact OE2-CB 3.38Å; E512-S688 PolarHBondContact OE2-N 3.01Å; G649-S688 WeakPolarHBondContact O-CB 3.45Å; G649-S688 PolarHBondContact O-OG 3.35Å; S688-T690 WeakPolarHBondContact OG-CB 3.23Å; S688-T690 PolarHBondContact OG-N 3.12Å; S688-T690 PolarHBondContact OG-OG1 3.49Å
689	T	69.3	Low	75.5	Confident	145 Å²	145	57.5 Å²	57.5	89%	0.89	34%	0.339	S	S	*	.			trans	-82.7	-2.3	169.2	53.9	0	0	0	0	112.5	M687	M687-T689 PolarHBondContact O-N 2.98Å
690	T	74.9	Confident	74.8	Confident	75 Å²	75	59.4 Å²	59.4	46%	0.46	35%	0.353	S	S	.	.	S	Bend	trans	-76.8	127.7	176.7	-45.7	0	0	0	0	109.2	S688	S688-T690 WeakPolarHBondContact OG-CB 3.23Å; S688-T690 PolarHBondContact OG-N 3.12Å; S688-T690 PolarHBondContact OG-OG1 3.49Å
691	P	79.4	Confident	73.6	Confident	64 Å²	64	61.6 Å²	61.6	42%	0.416	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-56.9	140.2	171	-23.9	34.5	0	0	0	111.4	L509	L509-P691 HydrophobicContact CD2-CB 4.02Å; L509-P691 HydrophobicContact CD2-CG 3.71Å
692	L	83.9	Confident	72.3	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.037	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-74.4	140.9	177.1	-60.3	171.5	0	0	0	110	F510 A515 L610 V650 T694 P695	F510-L692 HydrophobicContact CD1-CB 4.29Å; F510-L692 HydrophobicContact CD1-CD1 3.68Å; F510-L692 HydrophobicContact CE1-CD1 3.72Å; F510-L692 WeakPolarHBondContact O-CB 3Å; F510-L692 PolarHBondContact O-N 2.9Å; A515-L692 HydrophobicContact CB-CD1 4.34Å; L610-L692 HydrophobicContact CD2-CD1 4.06Å; V650-L692 HydrophobicContact CG2-CD2 3.72Å; L692-T694 PolarHBondContact O-N 2.79Å; L692-P695 WeakPolarHBondContact O-CD 3.41Å
693	C	80.9	Confident	71.3	Confident	45 Å²	45	61.7 Å²	61.7	30%	0.304	38%	0.379	S	S	.	.	S	Bend	trans	-68.4	-2.6	175.6	-55	0	0	0	0	113.4	D696 V697	C693-D696 PolarHBondContact O-N 3.15Å; C693-V697 HydrophobicContact CB-CG2 4.28Å; C693-V697 WeakPolarHBondContact O-CG2 3.44Å; C693-V697 PolarHBondContact O-N 3.45Å
694	T	78.9	Confident	70.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-49.7	-46.9	-175	-54.9	0	0	0	0	114	I504 M609 L610 S611 L692 D696 V697 L698	I504-T694 HydrophobicContact CG2-CG2 3.59Å; M609-T694 WeakPolarHBondContact O-CB 3.18Å; M609-T694 VanDerWaalsContact O-CG2 3.25Å; M609-T694 WeakPolarHBondContact O-CG2 3.48Å; M609-T694 PolarHBondContact O-OG1 2.69Å; L610-T694 VanDerWaalsContact C-OG1 3.28Å; L610-T694 PolarHBondContact O-OG1 2.96Å; S611-T694 PolarHBondContact N-OG1 3.25Å; L692-T694 PolarHBondContact O-N 2.79Å; T694-D696 PolarHBondContact O-N 3.16Å; T694-V697 PolarHBondContact O-N 3.39Å; T694-L698 HydrophobicContact CG2-CD1 3.72Å; T694-L698 HydrophobicContact CG2-CG 4.17Å; T694-L698 WeakPolarHBondContact O-CB 3.3Å; T694-L698 VanDerWaalsContact O-CG 3.24Å; T694-L698 WeakPolarHBondContact O-CG 3.35Å; T694-L698 PolarHBondContact O-N 3.32Å
695	P	79.6	Confident	70.9	Confident	9 Å²	9	54.8 Å²	54.8	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-45.7	-179	-22.2	35.3	0	0	0	112.8	K507 F510 L692 V697 L698 E699	K507-P695 WeakPolarHBondContact O-CB 3.31Å; K507-P695 WeakPolarHBondContact O-CG 3.38Å; F510-P695 HydrophobicContact CB-CG 3.82Å; L692-P695 WeakPolarHBondContact O-CD 3.41Å; P695-V697 PolarHBondContact O-N 3.29Å; P695-L698 PolarHBondContact O-N 3.39Å; P695-E699 PolarHBondContact O-N 3.35Å
696	D	78.6	Confident	70.8	Confident	113 Å²	113	58.8 Å²	58.8	60%	0.604	35%	0.349	S	S	*	.	H	α-helix	trans	-66.2	-38.3	-179.6	-54.5	-41.9	0	0	0	112.1	C693 T694 E699 S700	C693-D696 PolarHBondContact O-N 3.15Å; T694-D696 PolarHBondContact O-N 3.16Å; D696-E699 PolarHBondContact O-N 2.7Å; D696-S700 WeakPolarHBondContact O-CB 3.26Å; D696-S700 PolarHBondContact O-N 3.48Å; D696-S700 PolarHBondContact O-OG 3.11Å
697	V	77.6	Confident	70.8	Confident	28 Å²	28	57.9 Å²	57.9	17%	0.17	34%	0.339	C	S	.	.	H	α-helix	trans	-67.7	-39.8	175.5	175.9	0	0	0	0	110.9	Q613 C693 T694 P695 S700 S701	Q613-V697 HydrophobicContact CG-CG1 3.97Å; C693-V697 HydrophobicContact CB-CG2 4.28Å; C693-V697 WeakPolarHBondContact O-CG2 3.44Å; C693-V697 PolarHBondContact O-N 3.45Å; T694-V697 PolarHBondContact O-N 3.39Å; P695-V697 PolarHBondContact O-N 3.29Å; V697-S700 PolarHBondContact O-OG 3.34Å; V697-S700 VanDerWaalsContact O-OG 3.09Å; V697-S701 WeakPolarHBondContact O-CB 3.35Å; V697-S701 PolarHBondContact O-N 3.03Å
698	L	76.4	Confident	70.4	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-73	-30.6	175.9	-69.6	178	0	0	0	113.1	L501 I504 K505 T694 P695 G702 V705	L501-L698 HydrophobicContact CB-CD1 4.4Å; L501-L698 HydrophobicContact CD2-CD1 4.41Å; I504-L698 HydrophobicContact CB-CD1 4.4Å; I504-L698 HydrophobicContact CG2-CD1 4.21Å; K505-L698 HydrophobicContact CB-CB 3.89Å; K505-L698 HydrophobicContact CB-CD1 4.27Å; K505-L698 HydrophobicContact CD-CB 4.26Å; K505-L698 HydrophobicContact CG-CB 4.02Å; T694-L698 HydrophobicContact CG2-CD1 3.72Å; T694-L698 HydrophobicContact CG2-CG 4.17Å; T694-L698 WeakPolarHBondContact O-CB 3.3Å; T694-L698 VanDerWaalsContact O-CG 3.24Å; T694-L698 WeakPolarHBondContact O-CG 3.35Å; T694-L698 PolarHBondContact O-N 3.32Å; P695-L698 PolarHBondContact O-N 3.39Å; L698-G702 WeakPolarHBondContact O-CA 3.46Å; L698-G702 PolarHBondContact O-N 3.14Å; L698-V705 HydrophobicContact CD2-CB 4.34Å; L698-V705 HydrophobicContact CD2-CG1 3.92Å; L698-V705 HydrophobicContact CD2-CG2 4.33Å
699	E	73.6	Confident	70	Confident	146 Å²	146	57.5 Å²	57.5	68%	0.682	33%	0.331	S	S	*	.	H	α-helix	trans	-67.8	-46.6	173.2	-173.6	169.1	-135.9	0	0	110.9	P695 D696 S701	P695-E699 PolarHBondContact O-N 3.35Å; D696-E699 PolarHBondContact O-N 2.7Å; E699-S701 PolarHBondContact O-N 3.45Å
700	S	67.7	Low	69.7	Low	93 Å²	93	52 Å²	52	65%	0.65	30%	0.297	S	S	*	.	H	α-helix	trans	-71.7	-25.8	180	58.4	0	0	0	0	114.9	D696 V697	D696-S700 WeakPolarHBondContact O-CB 3.26Å; D696-S700 PolarHBondContact O-N 3.48Å; D696-S700 PolarHBondContact O-OG 3.11Å; V697-S700 PolarHBondContact O-OG 3.34Å; V697-S700 VanDerWaalsContact O-OG 3.09Å
701	S	60.4	Low	69.1	Low	46 Å²	46	49.6 Å²	49.6	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-128.7	2.4	-170.7	-57.5	0	0	0	0	116.1	V697 E699 T704 V705	V697-S701 WeakPolarHBondContact O-CB 3.35Å; V697-S701 PolarHBondContact O-N 3.03Å; E699-S701 PolarHBondContact O-N 3.45Å; S701-T704 WeakPolarHBondContact O-CA 3.1Å; S701-T704 VanDerWaalsContact O-CB 3.3Å; S701-T704 WeakPolarHBondContact O-CB 3.36Å; S701-T704 PolarHBondContact O-N 3.08Å; S701-T704 PolarHBondContact O-OG1 3.26Å; S701-V705 PolarHBondContact O-N 3.07Å
702	G	56.5	Low	68.2	Low	6 Å²	6	46.6 Å²	46.6	6%	0.062	27%	0.265	C	S	.	.	H	α-helix	trans	-45.7	-55	-165.5	0	0	0	0	0	118	L698 T704 V705 R706	L698-G702 WeakPolarHBondContact O-CA 3.46Å; L698-G702 PolarHBondContact O-N 3.14Å; G702-T704 PolarHBondContact O-N 3.24Å; G702-V705 PolarHBondContact O-N 3.11Å; G702-R706 PolarHBondContact O-N 3.34Å
703	P	57.1	Low	67.1	Low	103 Å²	103	46.6 Å²	46.6	67%	0.669	26%	0.264	S	S	*	.	H	α-helix	trans	-61.1	-34.1	-179.9	-23	33.9	0	0	0	112.9	T707	P703-T707 PolarHBondContact O-N 3.29Å; P703-T707 PolarHBondContact O-OG1 2.9Å
704	T	60.7	Low	66.1	Low	65 Å²	65	51.4 Å²	51.4	40%	0.399	28%	0.28	S	S	.	.	H	α-helix	trans	-72.2	-42.8	177.4	-33.4	0	0	0	0	110.6	S701 G702 R706 T707 Y708	S701-T704 WeakPolarHBondContact O-CA 3.1Å; S701-T704 VanDerWaalsContact O-CB 3.3Å; S701-T704 WeakPolarHBondContact O-CB 3.36Å; S701-T704 PolarHBondContact O-N 3.08Å; S701-T704 PolarHBondContact O-OG1 3.26Å; G702-T704 PolarHBondContact O-N 3.24Å; T704-R706 PolarHBondContact O-N 3.26Å; T704-T707 WeakPolarHBondContact O-CB 3.04Å; T704-T707 PolarHBondContact O-N 3.29Å; T704-T707 VanDerWaalsContact O-N 3.16Å; T704-Y708 HydrophobicContact CG2-CD2 3.93Å; T704-Y708 HydrophobicContact CG2-CE1 4.19Å; T704-Y708 HydrophobicContact CG2-CE2 3.4Å; T704-Y708 WeakPolarHBondContact O-CB 3.42Å; T704-Y708 WeakPolarHBondContact O-CD2 3.44Å; T704-Y708 VanDerWaalsContact O-CG 3.25Å; T704-Y708 PolarHBondContact O-N 2.73Å
705	V	62	Low	65.1	Low	6 Å²	6	51.7 Å²	51.7	4%	0.036	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-48.1	175.3	174.4	0	0	0	0	110.9	T608 V614 L698 S701 G702 T707 Y708 V709	T608-V705 HydrophobicContact CG2-CG1 4.21Å; V614-V705 HydrophobicContact CG2-CG1 4.08Å; L698-V705 HydrophobicContact CD2-CB 4.34Å; L698-V705 HydrophobicContact CD2-CG1 3.92Å; L698-V705 HydrophobicContact CD2-CG2 4.33Å; S701-V705 PolarHBondContact O-N 3.07Å; G702-V705 PolarHBondContact O-N 3.11Å; V705-T707 VanDerWaalsContact C-N 3.25Å; V705-T707 PolarHBondContact O-N 3.21Å; V705-Y708 PolarHBondContact O-N 3.08Å; V705-Y708 VanDerWaalsContact O-N 3.13Å; V705-V709 HydrophobicContact CG1-CG2 4.04Å; V705-V709 WeakPolarHBondContact O-CB 3.41Å; V705-V709 VanDerWaalsContact O-CG2 3.29Å; V705-V709 WeakPolarHBondContact O-CG2 3.12Å; V705-V709 PolarHBondContact O-N 2.97Å
706	R	62.4	Low	64	Low	103 Å²	103	51.9 Å²	51.9	39%	0.389	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-37.5	176.5	-171.6	175.8	-172.5	144	6.1	112.7	E499 E542 G702 T704 N710	E499-R706 VanDerWaalsContact CD-NH1 3.26Å; E499-R706 IonicContact OE1-CZ 2.79Å; E499-R706 IonicContact OE1-NH1 3.73Å; E499-R706 PolarHBondContact OE1-NH1 3.45Å; E499-R706 IonicContact OE1-NH2 2.67Å; E499-R706 PolarHBondContact OE1-NH2 3.14Å; E499-R706 IonicContact OE2-CZ 3.44Å; E499-R706 VanDerWaalsContact OE2-CZ 3.28Å; E499-R706 IonicContact OE2-NH1 3.05Å; E499-R706 PolarHBondContact OE2-NH1 3.3Å; E499-R706 IonicContact OE2-NH2 3.84Å; E499-R706 PolarHBondContact OE2-NH2 3.02Å; E542-R706 IonicContact OE1-CZ 3.89Å; E542-R706 IonicContact OE1-NE 2.66Å; E542-R706 PolarHBondContact OE1-NE 2.88Å; E542-R706 IonicContact OE1-NH2 3.94Å; E542-R706 PolarHBondContact OE1-NH2 3.31Å; G702-R706 PolarHBondContact O-N 3.34Å; T704-R706 PolarHBondContact O-N 3.26Å; R706-N710 WeakPolarHBondContact O-CB 3.44Å; R706-N710 PolarHBondContact O-N 2.93Å; R706-N710 PolarHBondContact O-ND2 2.74Å
707	T	61.5	Low	62.9	Low	89 Å²	89	48.6 Å²	48.6	55%	0.546	27%	0.265	S	S	.	.	H	α-helix	trans	-67.8	-43.2	176.6	-57.5	0	0	0	0	111.5	P703 T704 V705 A711	P703-T707 PolarHBondContact O-N 3.29Å; P703-T707 PolarHBondContact O-OG1 2.9Å; T704-T707 WeakPolarHBondContact O-CB 3.04Å; T704-T707 PolarHBondContact O-N 3.29Å; T704-T707 VanDerWaalsContact O-N 3.16Å; V705-T707 VanDerWaalsContact C-N 3.25Å; V705-T707 PolarHBondContact O-N 3.21Å; T707-A711 WeakPolarHBondContact O-CB 3.39Å; T707-A711 PolarHBondContact O-N 3.44Å
708	Y	64.8	Low	61.7	Low	56 Å²	56	53.2 Å²	53.2	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-71.7	-42.3	179.9	-67.5	-21.7	0	0	0	113	Q617 Y627 T704 V705 N710 A711 T712	Q617-Y708 HydrophobicContact CG-CD2 4.05Å; Q617-Y708 HydrophobicContact CG-CE2 4.1Å; Y627-Y708 HydrophobicContact CD1-CE1 4.49Å; Y627-Y708 AromaticContact CE1-CD1 3.5Å; Y627-Y708 HydrophobicContact CE1-CD1 3.5Å; Y627-Y708 AromaticContact CE1-CE1 3.69Å; Y627-Y708 HydrophobicContact CE1-CE1 3.69Å; Y627-Y708 HydrophobicContact CE2-CD1 4.15Å; Y627-Y708 AromaticContact CE2-CE1 3.83Å; Y627-Y708 HydrophobicContact CE2-CE1 3.83Å; Y627-Y708 AromaticContact CZ-CD1 3.24Å; Y627-Y708 AromaticContact CZ-CE1 3.35Å; Y627-Y708 AromaticContact CZ-CG 3.96Å; Y627-Y708 WeakPolarHBondContact OH-CB 3.4Å; Y627-Y708 WeakPolarHBondContact OH-CD1 3.22Å; Y627-Y708 WeakPolarHBondContact OH-CE1 3.47Å; T704-Y708 HydrophobicContact CG2-CD2 3.93Å; T704-Y708 HydrophobicContact CG2-CE1 4.19Å; T704-Y708 HydrophobicContact CG2-CE2 3.4Å; T704-Y708 WeakPolarHBondContact O-CB 3.42Å; T704-Y708 WeakPolarHBondContact O-CD2 3.44Å; T704-Y708 VanDerWaalsContact O-CG 3.25Å; T704-Y708 PolarHBondContact O-N 2.73Å; V705-Y708 PolarHBondContact O-N 3.08Å; V705-Y708 VanDerWaalsContact O-N 3.13Å; Y708-N710 VanDerWaalsContact C-N 3.32Å; Y708-N710 PolarHBondContact O-N 3.14Å; Y708-A711 WeakPolarHBondContact O-CB 3.38Å; Y708-A711 PolarHBondContact O-N 3.07Å; Y708-A711 VanDerWaalsContact O-N 3.08Å; Y708-T712 PolarHBondContact O-N 3.33Å; Y708-T712 PolarHBondContact O-OG1 2.65Å
709	V	63.8	Low	60.4	Low	4 Å²	4	53.5 Å²	53.5	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-54.1	-50.3	170.7	170.7	0	0	0	0	110.1	P541 T608 V614 V705 A711 T712 Y713	P541-V709 HydrophobicContact CG-CG1 4.11Å; T608-V709 HydrophobicContact CG2-CG2 4.48Å; V614-V709 HydrophobicContact CG1-CG2 4.36Å; V614-V709 HydrophobicContact CG2-CG2 3.56Å; V705-V709 HydrophobicContact CG1-CG2 4.04Å; V705-V709 WeakPolarHBondContact O-CB 3.41Å; V705-V709 VanDerWaalsContact O-CG2 3.29Å; V705-V709 WeakPolarHBondContact O-CG2 3.12Å; V705-V709 PolarHBondContact O-N 2.97Å; V709-A711 VanDerWaalsContact C-N 3.32Å; V709-A711 PolarHBondContact O-N 3.22Å; V709-T712 PolarHBondContact O-N 3.29Å; V709-Y713 HydrophobicContact CG1-CD2 3.69Å; V709-Y713 HydrophobicContact CG1-CE2 3.52Å; V709-Y713 VanDerWaalsContact O-CD2 3.22Å; V709-Y713 WeakPolarHBondContact O-CD2 3.03Å; V709-Y713 PolarHBondContact O-N 3.06Å
710	N	62.5	Low	59.2	Low	30 Å²	30	48.6 Å²	48.6	16%	0.16	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-36.9	176	-90.5	-62.3	0	0	0	113.4	E542 R706 Y708 K714	E542-N710 PolarHBondContact OE1-ND2 2.91Å; E542-N710 PolarHBondContact OE2-OD1 3.42Å; R706-N710 WeakPolarHBondContact O-CB 3.44Å; R706-N710 PolarHBondContact O-N 2.93Å; R706-N710 PolarHBondContact O-ND2 2.74Å; Y708-N710 VanDerWaalsContact C-N 3.32Å; Y708-N710 PolarHBondContact O-N 3.14Å; N710-K714 WeakPolarHBondContact O-CB 3.44Å; N710-K714 WeakPolarHBondContact O-CD 3.48Å; N710-K714 WeakPolarHBondContact O-CG 3.36Å; N710-K714 PolarHBondContact O-N 3.38Å
711	A	62.2	Low	58.2	Low	24 Å²	24	54.3 Å²	54.3	20%	0.198	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-42.5	175.2	0	0	0	0	0	111.6	Y627 I631 T707 Y708 V709 K714 A715	Y627-A711 HydrophobicContact CD1-CB 4.46Å; Y627-A711 HydrophobicContact CE1-CB 3.75Å; I631-A711 HydrophobicContact CD1-CB 3.86Å; T707-A711 WeakPolarHBondContact O-CB 3.39Å; T707-A711 PolarHBondContact O-N 3.44Å; Y708-A711 WeakPolarHBondContact O-CB 3.38Å; Y708-A711 PolarHBondContact O-N 3.07Å; Y708-A711 VanDerWaalsContact O-N 3.08Å; V709-A711 VanDerWaalsContact C-N 3.32Å; V709-A711 PolarHBondContact O-N 3.22Å; A711-K714 PolarHBondContact O-N 3.48Å; A711-A715 VanDerWaalsContact O-CB 3.24Å; A711-A715 WeakPolarHBondContact O-CB 3.15Å; A711-A715 PolarHBondContact O-N 3.11Å
712	T	60.5	Low	57.2	Low	1 Å²	1	56.5 Å²	56.5	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-46.7	175.4	-63.5	0	0	0	0	112.2	V614 F616 I635 Y708 V709 K714 A715 F716	V614-T712 HydrophobicContact CG1-CG2 4.4Å; V614-T712 WeakPolarHBondContact CG1-OG1 3.41Å; F616-T712 HydrophobicContact CD2-CG2 3.82Å; I635-T712 HydrophobicContact CD1-CG2 4.39Å; Y708-T712 PolarHBondContact O-N 3.33Å; Y708-T712 PolarHBondContact O-OG1 2.65Å; V709-T712 PolarHBondContact O-N 3.29Å; T712-K714 PolarHBondContact O-N 3.28Å; T712-A715 PolarHBondContact O-N 3.39Å; T712-F716 WeakPolarHBondContact O-CB 3.46Å; T712-F716 PolarHBondContact O-N 3.48Å
713	Y	62.1	Low	56.2	Low	8 Å²	8	57.8 Å²	57.8	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-39.5	174.7	-78.1	-67.6	0	0	0	112.6	L539 K540 S601 V604 I605 V709 N717	L539-Y713 WeakPolarHBondContact O-CE1 3.44Å; L539-Y713 PolarHBondContact O-OH 2.48Å; K540-Y713 HydrophobicContact CB-CD2 3.87Å; K540-Y713 HydrophobicContact CB-CE1 4.41Å; K540-Y713 HydrophobicContact CB-CE2 3.58Å; K540-Y713 HydrophobicContact CB-CG 4.4Å; S601-Y713 PolarHBondContact O-OH 3.15Å; S601-Y713 WeakPolarHBondContact OG-CE1 3.22Å; V604-Y713 HydrophobicContact CB-CE1 4.44Å; V604-Y713 HydrophobicContact CG1-CE1 4.5Å; V604-Y713 HydrophobicContact CG1-CE2 3.97Å; I605-Y713 WeakPolarHBondContact CG1-OH 3.22Å; V709-Y713 HydrophobicContact CG1-CD2 3.69Å; V709-Y713 HydrophobicContact CG1-CE2 3.52Å; V709-Y713 VanDerWaalsContact O-CD2 3.22Å; V709-Y713 WeakPolarHBondContact O-CD2 3.03Å; V709-Y713 PolarHBondContact O-N 3.06Å; Y713-N717 VanDerWaalsContact O-CB 3.27Å; Y713-N717 WeakPolarHBondContact O-CB 3.44Å; Y713-N717 PolarHBondContact O-N 3.01Å; Y713-N717 PolarHBondContact O-ND2 3.06Å
714	K	58.6	Low	55.2	Low	145 Å²	145	57.4 Å²	57.4	63%	0.63	27%	0.271	S	S	*	.	H	α-helix	trans	-66.4	-39.1	174.9	-73.8	168.1	-173.5	171.8	0	112.2	N710 A711 T712 R718	N710-K714 WeakPolarHBondContact O-CB 3.44Å; N710-K714 WeakPolarHBondContact O-CD 3.48Å; N710-K714 WeakPolarHBondContact O-CG 3.36Å; N710-K714 PolarHBondContact O-N 3.38Å; A711-K714 PolarHBondContact O-N 3.48Å; T712-K714 PolarHBondContact O-N 3.28Å; K714-R718 VanDerWaalsContact O-CB 3.29Å; K714-R718 WeakPolarHBondContact O-CB 3.17Å; K714-R718 PolarHBondContact O-N 2.87Å
715	A	58.4	Low	53.6	Low	6 Å²	6	63.1 Å²	63.1	5%	0.05	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-46.4	176.8	0	0	0	0	0	111.9	I631 M632 I635 A711 T712 R718 C719	I631-A715 HydrophobicContact CB-CB 4.19Å; I631-A715 HydrophobicContact CG2-CB 3.53Å; M632-A715 HydrophobicContact CG-CB 3.75Å; I635-A715 HydrophobicContact CD1-CB 4.1Å; A711-A715 VanDerWaalsContact O-CB 3.24Å; A711-A715 WeakPolarHBondContact O-CB 3.15Å; A711-A715 PolarHBondContact O-N 3.11Å; T712-A715 PolarHBondContact O-N 3.39Å; A715-R718 WeakPolarHBondContact O-CB 3.26Å; A715-R718 PolarHBondContact O-N 2.71Å; A715-R718 VanDerWaalsContact O-N 3.13Å; A715-C719 PolarHBondContact O-N 3.12Å
716	F	56.8	Low	51.8	Low	13 Å²	13	70.9 Å²	70.9	6%	0.057	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-49.1	174.2	-179.3	-102.7	0	0	0	111.5	C597 W600 I635 T712 R718 C719 K720	C597-F716 HydrophobicContact CB-CE1 4.47Å; W600-F716 HydrophobicContact CB-CE2 4.49Å; W600-F716 HydrophobicContact CB-CZ 4.04Å; W600-F716 AromaticContact CD1-CD1 3.98Å; W600-F716 AromaticContact CD1-CD2 3.84Å; W600-F716 AromaticContact CD1-CE1 3.82Å; W600-F716 AromaticContact CD1-CE2 3.68Å; W600-F716 AromaticContact CD1-CG 3.98Å; W600-F716 AromaticContact CD1-CZ 3.67Å; W600-F716 HydrophobicContact CD2-CD2 4.02Å; W600-F716 AromaticContact CD2-CE2 3.5Å; W600-F716 HydrophobicContact CD2-CE2 3.5Å; W600-F716 AromaticContact CD2-CZ 3.97Å; W600-F716 HydrophobicContact CD2-CZ 3.97Å; W600-F716 AromaticContact CE2-CD2 3.43Å; W600-F716 VanDerWaalsContact CE2-CD2 3.43Å; W600-F716 AromaticContact CE2-CE2 3.44Å; W600-F716 VanDerWaalsContact CE2-CE2 3.44Å; W600-F716 HydrophobicContact CE3-CE2 4.11Å; W600-F716 HydrophobicContact CG-CD2 4.24Å; W600-F716 HydrophobicContact CG-CE1 4.17Å; W600-F716 AromaticContact CG-CE2 3.67Å; W600-F716 HydrophobicContact CG-CE2 3.67Å; W600-F716 AromaticContact CG-CZ 3.62Å; W600-F716 HydrophobicContact CG-CZ 3.62Å; W600-F716 AromaticContact CZ2-CD2 3.76Å; W600-F716 HydrophobicContact CZ2-CD2 3.76Å; W600-F716 AromaticContact CZ2-CE2 3.99Å; W600-F716 HydrophobicContact CZ2-CE2 3.99Å; W600-F716 AromaticContact NE1-CD2 3.34Å; W600-F716 VanDerWaalsContact NE1-CD2 3.34Å; W600-F716 AromaticContact NE1-CE2 3.57Å; W600-F716 AromaticContact NE1-CG 3.63Å; I635-F716 HydrophobicContact CD1-CB 4.18Å; I635-F716 HydrophobicContact CG2-CD2 4.17Å; T712-F716 WeakPolarHBondContact O-CB 3.46Å; T712-F716 PolarHBondContact O-N 3.48Å; F716-R718 PolarHBondContact O-N 2.97Å; F716-C719 PolarHBondContact O-N 3.34Å; F716-K720 WeakPolarHBondContact O-CB 3.37Å; F716-K720 PolarHBondContact O-N 3.08Å
717	N	55.3	Low	50	Low	45 Å²	45	75.6 Å²	75.6	24%	0.241	36%	0.355	C	S	.	.	H	α-helix	trans	-64.6	-20.6	176.3	-82.2	-40.1	0	0	0	113.7	Y713 R721	Y713-N717 VanDerWaalsContact O-CB 3.27Å; Y713-N717 WeakPolarHBondContact O-CB 3.44Å; Y713-N717 PolarHBondContact O-N 3.01Å; Y713-N717 PolarHBondContact O-ND2 3.06Å; N717-R721 WeakPolarHBondContact O-CG 3.43Å
718	R	52.8	Low	48.4	Very low	125 Å²	125	76.3 Å²	76.3	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-79.6	-49.4	171.4	179.4	171.5	172.5	-174	0.3	111.6	M632 K714 A715 F716 K720 R721 E722	M632-R718 HydrophobicContact SD-CB 4.23Å; M632-R718 VanDerWaalsContact SD-CD 3.53Å; M632-R718 HydrophobicContact SD-CG 3.84Å; K714-R718 VanDerWaalsContact O-CB 3.29Å; K714-R718 WeakPolarHBondContact O-CB 3.17Å; K714-R718 PolarHBondContact O-N 2.87Å; A715-R718 WeakPolarHBondContact O-CB 3.26Å; A715-R718 PolarHBondContact O-N 2.71Å; A715-R718 VanDerWaalsContact O-N 3.13Å; F716-R718 PolarHBondContact O-N 2.97Å; R718-K720 VanDerWaalsContact C-N 3.25Å; R718-K720 PolarHBondContact O-N 2.93Å; R718-R721 PolarHBondContact O-N 3.02Å; R718-E722 HydrophobicContact CG-CG 4.5Å; R718-E722 WeakPolarHBondContact CG-OE1 3.22Å; R718-E722 IonicContact CZ-OE1 3.88Å; R718-E722 IonicContact NE-OE1 3.95Å; R718-E722 PolarHBondContact NE-OE1 2.77Å; R718-E722 IonicContact NH2-OE1 3.61Å; R718-E722 PolarHBondContact NH2-OE1 2.9Å; R718-E722 PolarHBondContact O-N 3.38Å
719	C	48.3	Very low	46.8	Very low	9 Å²	9	78.6 Å²	78.6	6%	0.061	38%	0.383	C	S	.	.	H	α-helix	trans	-55.7	-39.9	171.8	-72.7	0	0	0	0	112.1	K636 A715 F716 R721 E722 G723	K636-C719 VanDerWaalsContact CE-SG 3.56Å; A715-C719 PolarHBondContact O-N 3.12Å; F716-C719 PolarHBondContact O-N 3.34Å; C719-R721 PolarHBondContact O-N 2.75Å; C719-E722 PolarHBondContact O-N 3.05Å; C719-G723 PolarHBondContact O-N 3.04Å
720	K	49.1	Very low	45.3	Very low	44 Å²	44	85.1 Å²	85.1	19%	0.191	42%	0.418	C	S	.	.	H	α-helix	trans	-59.2	-29	173.7	179.8	170.6	175.3	171.3	0	113.6	Y593 D594 C597 F716 R718	Y593-K720 HydrophobicContact CE1-CD 4.39Å; Y593-K720 HydrophobicContact CE1-CG 4.22Å; D594-K720 IonicContact OD1-NZ 2.68Å; D594-K720 PolarHBondContact OD1-NZ 2.89Å; C597-K720 PolarHBondContact SG-NZ 3.05Å; F716-K720 WeakPolarHBondContact O-CB 3.37Å; F716-K720 PolarHBondContact O-N 3.08Å; R718-K720 VanDerWaalsContact C-N 3.25Å; R718-K720 PolarHBondContact O-N 2.93Å
721	R	46	Very low	44.1	Very low	212 Å²	212	89.6 Å²	89.6	80%	0.8	44%	0.442	S	S	*	.	H	α-helix	trans	-88.4	-32.3	176.8	-69.2	174.6	-167.7	-175.8	4.6	113.4	N717 R718 C719 G723	N717-R721 WeakPolarHBondContact O-CG 3.43Å; R718-R721 PolarHBondContact O-N 3.02Å; C719-R721 PolarHBondContact O-N 2.75Å; R721-G723 VanDerWaalsContact C-N 3.31Å
722	E	39	Very low	42.5	Very low	93 Å²	93	91.4 Å²	91.4	44%	0.435	46%	0.457	S	S	.	.	H	α-helix	trans	-76.8	-20.6	178.5	-68.8	174.3	-174.2	0	0	112.1	R718 C719	R718-E722 HydrophobicContact CG-CG 4.5Å; R718-E722 WeakPolarHBondContact CG-OE1 3.22Å; R718-E722 IonicContact CZ-OE1 3.88Å; R718-E722 IonicContact NE-OE1 3.95Å; R718-E722 PolarHBondContact NE-OE1 2.77Å; R718-E722 IonicContact NH2-OE1 3.61Å; R718-E722 PolarHBondContact NH2-OE1 2.9Å; R718-E722 PolarHBondContact O-N 3.38Å; C719-E722 PolarHBondContact O-N 3.05Å
723	G	37	Very low	41.1	Very low	33 Å²	33	96.8 Å²	96.8	34%	0.34	49%	0.491	S	S	.	.			trans	82.6	146.2	175.8	0	0	0	0	0	113	C719 R721 F725	C719-G723 PolarHBondContact O-N 3.04Å; R721-G723 VanDerWaalsContact C-N 3.31Å; G723-F725 PolarHBondContact O-N 3.2Å
724	F	36.1	Very low	39.7	Very low	94 Å²	94	103.7 Å²	103.7	41%	0.412	53%	0.528	S	S	.	.			trans	-73.2	74.7	175.6	-73.7	-76.8	0	0	0	111.4	Y593 V664 P666	Y593-F724 HydrophobicContact CE2-CD2 4.5Å; Y593-F724 HydrophobicContact CE2-CE2 4.44Å; Y593-F724 WeakPolarHBondContact OH-CE2 3.26Å; V664-F724 HydrophobicContact CG1-CE1 3.64Å; V664-F724 HydrophobicContact CG1-CZ 4.23Å; P666-F724 HydrophobicContact CG-CE2 4.42Å
725	F	26.5	Very low	38.6	Very low	186 Å²	186	99.7 Å²	99.7	82%	0.816	52%	0.522	S	S	*	.			trans	-101.9	89.8	169.6	-75.7	-71.5	0	0	0	111.5	G723 K727	G723-F725 PolarHBondContact O-N 3.2Å; F725-K727 PolarHBondContact O-N 2.81Å
726	L	23.7	Very low	37.4	Very low	169 Å²	169	105.7 Å²	105.7	89%	0.885	55%	0.547	S	S	*	.			trans	-57.9	111	153.8	-85.3	150.8	0	0	0	109.2
727	K	24.9	Very low	36.4	Very low	202 Å²	202	115.4 Å²	115.4	88%	0.878	58%	0.583	S	S	*	*			trans	-71.1	136.6	144.6	-63.1	176.3	-179.2	173.9	0	105.3	F725	F725-K727 PolarHBondContact O-N 2.81Å
728	S	28.8	Very low	35.5	Very low	103 Å²	103	124.4 Å²	124.4	72%	0.72	61%	0.614	S	S	*	*			cis	-145.5	171.2	5.8	-169	0	0	0	0	106
729	V	30	Very low	34.7	Very low	105 Å²	105	127.6 Å²	127.6	64%	0.636	63%	0.631	S	S	*	*				-178.7	134.5	67.4	172.8	0	0	0	0	109.5	N731	V729-N731 PolarHBondContact O-N 3.12Å
730	D	32.8	Very low	33.9	Very low	140 Å²	140	134 Å²	134	75%	0.749	66%	0.664	S	S	*	*	S	Bend	trans	44.2	14	149.5	-53.5	-24.5	0	0	0	125.6
731	N	36.7	Very low	33.2	Very low	125 Å²	125	140.9 Å²	140.9	67%	0.668	69%	0.694	S	S	*	*			trans	-115.8	12.5	-178.5	-91.3	-51.7	0	0	0	119.3	V729	V729-N731 PolarHBondContact O-N 3.12Å
732	A	29.7	Very low	32.7	Very low	62 Å²	62	139.4 Å²	139.4	51%	0.512	70%	0.698	S	S	.	*			trans	-68	131.6	172	0	0	0	0	0	112.5	L734 A735	A732-L734 PolarHBondContact O-N 3.48Å; A732-A735 WeakPolarHBondContact O-CB 3.38Å; A732-A735 PolarHBondContact O-N 2.56Å
733	P	30.1	Very low	32.2	Very low	113 Å²	113	140.7 Å²	140.7	73%	0.734	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-23.2	-177	-27.8	35.5	0	0	0	115.6	K736	P733-K736 PolarHBondContact O-N 3.05Å
734	L	32.3	Very low	31.7	Very low	154 Å²	154	144.6 Å²	144.6	81%	0.806	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-24.1	176.6	-83.4	150.5	0	0	0	113.7	A732	A732-L734 PolarHBondContact O-N 3.48Å
735	A	35.6	Very low	31.5	Very low	60 Å²	60	146.8 Å²	146.8	50%	0.496	76%	0.756	S	S	.	*	G	3₁₀ helix	trans	-73.7	-29	176.2	0	0	0	0	0	112.6	A732 R737 R738	A732-A735 WeakPolarHBondContact O-CB 3.38Å; A732-A735 PolarHBondContact O-N 2.56Å; A735-R737 PolarHBondContact O-N 3.44Å; A735-R738 PolarHBondContact O-N 3.11Å
736	K	34.7	Very low	31.5	Very low	132 Å²	132	141 Å²	141	57%	0.574	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-69.4	-17.8	179.4	-69.8	179.8	179.4	171.2	0	113.5	P733	P733-K736 PolarHBondContact O-N 3.05Å
737	R	35.7	Very low	31.7	Very low	218 Å²	218	138.7 Å²	138.7	82%	0.823	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-84.4	-6.3	177.1	-92.5	-176.3	176.4	173	0.7	115.9	A735	A735-R737 PolarHBondContact O-N 3.44Å
738	R	36	Very low	31.7	Very low	233 Å²	233	137.2 Å²	137.2	88%	0.879	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-5.8	177.5	-78.8	-177.6	172.6	160	-2	115.5	A735	A735-R738 PolarHBondContact O-N 3.11Å
739	K	35.8	Very low	31.6	Very low	193 Å²	193	136.9 Å²	136.9	84%	0.839	73%	0.731	S	S	*	*	S	Bend	trans	-95.4	-1.6	172	-100.7	-178.9	175.7	177.2	0	115.1
740	L	32.5	Very low	31.4	Very low	144 Å²	144	142.7 Å²	142.7	75%	0.754	74%	0.742	S	S	*	*	S	Bend	trans	-111.4	27.6	-176.6	-81.2	167.4	0	0	0	114.2
741	K	33.5	Very low	31	Very low	188 Å²	188	146.1 Å²	146.1	82%	0.817	74%	0.744	S	S	*	*	S	Bend	trans	-132.9	17.2	176.6	-115.5	-171.8	-178.8	-169.6	0	115.6
742	M	35.8	Very low	30.5	Very low	181 Å²	181	145.8 Å²	145.8	89%	0.892	75%	0.752	S	S	*	*	S	Bend	trans	-140.1	54.7	175.7	-78.4	-64.5	152.3	0	0	112.4
743	T	28.3	Very low	30.3	Very low	120 Å²	120	148 Å²	148	74%	0.736	76%	0.763	S	S	*	*			trans	-154.1	84.1	164.8	46.4	0	0	0	0	111
744	S	26.2	Very low	30.1	Very low	115 Å²	115	147.3 Å²	147.3	80%	0.804	76%	0.762	S	S	*	*			trans	148.9	124.6	166.5	57.3	0	0	0	0	106.9
745	T	31.1	Very low	29.8	Very low	139 Å²	139	145.2 Å²	145.2	85%	0.853	76%	0.76	S	S	*	*			cis	-126.6	150.7	16.4	44.6	0	0	0	0	110.2
746	G	27.1	Very low	29.4	Very low	64 Å²	64	147.6 Å²	147.6	66%	0.66	77%	0.772	S	S	*	*				90.3	84.4	66.4	0	0	0	0	0	109.2
747	V	27.9	Very low	29.1	Very low	122 Å²	122	146.3 Å²	146.3	74%	0.739	78%	0.78	S	S	*	*				85.1	111.8	78.8	169.5	0	0	0	0	113.2
748	E	25	Very low	28.8	Very low	170 Å²	170	141.4 Å²	141.4	79%	0.794	78%	0.779	S	S	*	*			trans	63	157.6	152.8	-68.6	170.1	-158.7	0	0	119.2
749	T	26.1	Very low	28.4	Very low	96 Å²	96	134.9 Å²	134.9	59%	0.589	77%	0.77	S	S	*	*			cis	-158.3	-179.6	4.8	2.8	0	0	0	0	111.6	W751	T749-W751 HydrophobicContact CG2-CE3 4.38Å; T749-W751 HydrophobicContact CG2-CH2 4.24Å; T749-W751 HydrophobicContact CG2-CZ3 3.83Å
750	R	26.4	Very low	28.1	Very low	228 Å²	228	131.1 Å²	131.1	86%	0.86	77%	0.767	S	S	*	*			trans	85.3	115.1	170.7	-54	179.5	178.3	177.2	-1.2	116.3
751	W	25.3	Very low	27.9	Very low	212 Å²	212	128.9 Å²	128.9	80%	0.803	76%	0.764	S	S	*	*			cis	92.4	111.8	29.9	-80.5	-120.9	0	0	0	116.6	T749	T749-W751 HydrophobicContact CG2-CE3 4.38Å; T749-W751 HydrophobicContact CG2-CH2 4.24Å; T749-W751 HydrophobicContact CG2-CZ3 3.83Å
752	S	25.9	Very low	27.6	Very low	117 Å²	117	125.9 Å²	125.9	82%	0.818	76%	0.761	S	S	*	*			trans	60	149.8	147.8	53.7	0	0	0	0	119.8
753	S	25.3	Very low	27.2	Very low	109 Å²	109	121.8 Å²	121.8	76%	0.762	75%	0.751	S	S	*	*			cis	-144.2	-166.6	9.1	68.8	0	0	0	0	110.3
754	S	26.2	Very low	27.2	Very low	99 Å²	99	120.4 Å²	120.4	69%	0.692	75%	0.746	S	S	*	*			cis	-164.5	174.8	1.7	22.4	0	0	0	0	111.6
755	S	26.1	Very low	27.2	Very low	110 Å²	110	120.3 Å²	120.3	77%	0.769	75%	0.745	S	S	*	*			trans	-13.2	152.4	154.8	63.4	0	0	0	0	120.1
756	S	27.5	Very low	27.1	Very low	109 Å²	109	117.8 Å²	117.8	76%	0.762	74%	0.738	S	S	*	*			cis	-165.6	163.2	36.2	39.1	0	0	0	0	116
757	S	27.8	Very low	27.1	Very low	106 Å²	106	120 Å²	120	74%	0.741	74%	0.743	S	S	*	*			trans	-20.2	143.8	166.4	54.7	0	0	0	0	124.3
758	S	27.9	Very low	27.1	Very low	114 Å²	114	122.8 Å²	122.8	80%	0.797	75%	0.746	S	S	*	*				150.5	154.4	125.1	53.2	0	0	0	0	111.1
759	S	28.9	Very low	27.3	Very low	97 Å²	97	120.9 Å²	120.9	68%	0.678	74%	0.737	S	S	*	*			cis	172.3	145.6	-44.4	45.9	0	0	0	0	106.5
760	S	29	Very low	27.3	Very low	113 Å²	113	123.8 Å²	123.8	79%	0.79	74%	0.744	S	S	*	*			trans	63.5	149.4	162.4	40.5	0	0	0	0	118.9
761	S	28.6	Very low	27.4	Very low	97 Å²	97	120.3 Å²	120.3	68%	0.678	74%	0.742	S	S	*	*			cis	-172.3	161.3	-6.2	46.5	0	0	0	0	112.2
762	T	27	Very low	27.6	Very low	125 Å²	125	119.1 Å²	119.1	77%	0.767	74%	0.743	S	S	*	*			trans	34.7	150.8	139.3	58.9	0	0	0	0	122.6
763	S	27.6	Very low	27.7	Very low	96 Å²	96	120.7 Å²	120.7	67%	0.671	74%	0.737	S	S	*	*			cis	-177.8	163.8	-11.1	53.3	0	0	0	0	111.1
764	S	27.8	Very low	27.8	Very low	90 Å²	90	121.2 Å²	121.2	63%	0.629	74%	0.736	S	S	*	*			trans	60.5	128	136.6	64.3	0	0	0	0	123.2
765	S	27.5	Very low	28	Very low	114 Å²	114	122.5 Å²	122.5	80%	0.797	74%	0.739	S	S	*	*			trans	63.6	152.1	135.1	62.4	0	0	0	0	120.3
766	A	27.9	Very low	28.2	Very low	85 Å²	85	122.9 Å²	122.9	70%	0.702	74%	0.737	S	S	*	*			cis	-172.9	178.3	-19.5	0	0	0	0	0	107.7
767	S	27.1	Very low	29	Very low	110 Å²	110	123 Å²	123	77%	0.769	74%	0.735	S	S	*	*			trans	104.3	126.8	158.5	-44.6	0	0	0	0	117.4
768	K	28.9	Very low	29.3	Very low	181 Å²	181	126.1 Å²	126.1	79%	0.787	74%	0.735	S	S	*	*				38.9	142.3	128.3	-71.6	-170.5	171.3	-172.3	0	119.2
769	E	27.5	Very low	29.5	Very low	131 Å²	131	128.1 Å²	128.1	61%	0.612	73%	0.732	S	S	*	*			cis	175	157.6	-8.1	-126.6	-174.4	112.1	0	0	104.2
770	Q	27.6	Very low	29.7	Very low	157 Å²	157	130.1 Å²	130.1	73%	0.734	73%	0.733	S	S	*	*			trans	57.9	94.5	153.4	-59.6	-172.7	29.4	0	0	120.6
771	N	28.4	Very low	30	Very low	154 Å²	154	133.9 Å²	133.9	82%	0.824	74%	0.735	S	S	*	*				60.1	108.2	104.2	-153.8	23.3	0	0	0	119.6
772	K	29.2	Very low	30.9	Very low	188 Å²	188	134.5 Å²	134.5	82%	0.817	74%	0.737	S	S	*	*			trans	-179	151.4	137.7	-100.6	165.9	179.9	-179.4	0	107.3
773	Q	28.1	Very low	31.5	Very low	150 Å²	150	142.1 Å²	142.1	70%	0.701	76%	0.76	S	S	*	*			cis	177.1	142.7	-21.2	-167.7	174.9	6.8	0	0	103.3
774	T	27.5	Very low	31.7	Very low	120 Å²	120	144.5 Å²	144.5	74%	0.736	76%	0.764	S	S	*	*			trans	70.9	139.3	154.9	29.5	0	0	0	0	123.1
775	V	30.7	Very low	31.9	Very low	125 Å²	125	147.3 Å²	147.3	76%	0.758	77%	0.771	S	S	*	*			trans	87.9	94.1	144.5	173.8	0	0	0	0	119.1
776	T	30	Very low	32.2	Very low	119 Å²	119	149.2 Å²	149.2	73%	0.73	77%	0.77	S	S	*	*				-5	166.8	126	51.5	0	0	0	0	120
777	P	44.7	Very low	32.4	Very low	110 Å²	110	152.9 Å²	152.9	71%	0.714	77%	0.774	S	S	*	*			cis	-134.2	-179.9	-2.2	21.6	4.3	0	0	0	115.6
778	K	32.8	Very low	32.8	Very low	173 Å²	173	155.6 Å²	155.6	75%	0.752	77%	0.774	S	S	*	*			trans	0.2	150.5	139.5	-44.4	178	175.9	-179.8	0	117
779	H	33.4	Very low	33	Very low	155 Å²	155	153.9 Å²	153.9	72%	0.718	77%	0.773	S	S	*	*			cis	-176.8	174.5	45.6	-134	-28.3	0	0	0	112.6
780	I	33.3	Very low	33.4	Very low	139 Å²	139	155.6 Å²	155.6	71%	0.713	79%	0.785	S	S	*	*			trans	74.8	103.6	159.8	-60.8	150.1	0	0	0	114.5
781	K	34.4	Very low	33.9	Very low	192 Å²	192	155.5 Å²	155.5	84%	0.835	79%	0.789	S	S	*	*				62.2	152.2	79.9	-83	-166.2	177	-173.4	0	114
782	P	47.9	Very low	34.3	Very low	110 Å²	110	155.6 Å²	155.6	71%	0.714	79%	0.786	S	S	*	*			cis	-139.1	160.4	-34	38.3	-22.6	0	0	0	113.8
783	K	40.1	Very low	34.8	Very low	286 Å²	286	152.6 Å²	152.6	100%	1.243	78%	0.783	S	S	*	*			trans	-164.9	0	130.3	-114.2	179.4	-178	-178.6	0	110.5

Retrieved 783 of 783 residues in 597 ms (Link to these results)

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