A0A087Y3T3_POEFO Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A087Y3T3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 856 aa.

						>A0A087Y3T3_POEFO|A0A087Y3T3
MADKDSVEKYLENNPQFAKEYFDKKLRAEALSAAFSEPLDIKDTASFKDVNSVQEAAIIFDLLQELQKQTAVEKNLHKVLQRTALILQADRVSYYICRSRNGIPELATCLFDVTPTSKYEANLVNPQSEIVIPTDMGIVGHTATSKKPQNVPDITKNPKFCDFVDKQTGYKTKCVMSYPMMADKDCLGVIMVLNKIGADAFTPEDEKLFHKYMTFAQVICLQYHTAYMFNVESRRSQVLLWSASKVFEELTDIERQFHKALYTVRIYLQAERYSVGLLDMTKEKEFYDEWPVKLGDVEPYKGPKTPDGREINFYKIIDYLLEAKEEIKVIPGPPADHWALVSGLPTYVAENGFICNMMNVAADDYFTFQKEAVDESGFVIKNVLSLPIVNKKEEIVGVATFFNRKDGKPFDEYDEQITEALTQFLGWSVLNCDTYDRLNRMEWRKDIAQEMLMYQTKCTSDEMQSILNTKEKFDAEPEDCDQKEMYKLLRANCPPADNVDGENLYNFGFSDFPVTEHGLIKAGIRMFFELGVVEKFKVPAETLTRWMYTVRKGYRAITYHNWRHGFNVGHTMFCLLQTGKLRKYYSDLDAFAMVAAAFCHDIDHRGTNNLYQTKSASPLAKLHGSSIMERHHLEYSKTLMGEESLNIFCNLQKRQFETVQHLFDVCIIATDLALYFKKRTMFQNIVNATEPMGDEKEAIAYISNNPIRKEIIMAMMMTGCDLSAITKPWEVQSKVALMVAAEFWEQGDLERSVLDQQPIPMMDRNCAEQLPKMQCGFIDFVCSFVYKEFSRFHKEITPMFDGLNNNRAHWNELAEVYNAKMKAIEDEKKKLEEEEAKKAGGGGGGEGGKSKTCTVC
					

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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	47.1	Very low	72.7	Confident	248 Å²	248	112.3 Å²	112.3	100%	1.222	58%	0.575	S	S	*	*				0	116.7	0	-72.6	175.2	-174.5	0	0	106.3
2	A	56.9	Low	73.2	Confident	76 Å²	76	115.6 Å²	115.6	63%	0.628	59%	0.586	S	S	*	*			trans	-70.3	149.6	176.6	0	0	0	0	0	109.8	V7	A2-V7 HydrophobicContact CB-CG2 4.04Å
3	D	77.4	Confident	73.8	Confident	94 Å²	94	116 Å²	116	50%	0.503	59%	0.591	S	S	.	*			trans	-67	158.9	174.9	74.4	48.4	0	0	0	111.2	D5 S6 V7	D3-D5 VanDerWaalsContact C-N 3.3Å; D3-D5 PolarHBondContact O-N 2.76Å; D3-D5 WeakPolarHBondContact OD1-CB 3.22Å; D3-D5 PolarHBondContact OD1-N 2.78Å; D3-S6 WeakPolarHBondContact O-CB 3.43Å; D3-S6 PolarHBondContact O-N 3.21Å; D3-S6 WeakPolarHBondContact OD1-CB 3.44Å; D3-S6 PolarHBondContact OD1-N 2.62Å; D3-S6 PolarHBondContact OD1-OG 3.4Å; D3-S6 PolarHBondContact OD2-OG 3.19Å; D3-S6 VanDerWaalsContact OD2-OG 3.07Å; D3-V7 PolarHBondContact O-N 3.46Å
4	K	75.6	Confident	74.3	Confident	156 Å²	156	112.1 Å²	112.1	68%	0.678	57%	0.572	S	S	*	*	H	α-helix	trans	-59.6	-39.7	-174.8	-171.8	-175	173.7	-166	0	112.4	S6 V7 E8	K4-S6 VanDerWaalsContact C-N 3.3Å; K4-S6 PolarHBondContact O-N 2.98Å; K4-V7 PolarHBondContact O-N 3.35Å; K4-E8 WeakPolarHBondContact CE-OE1 3.07Å; K4-E8 PolarHBondContact O-N 2.74Å
5	D	78.6	Confident	74.5	Confident	118 Å²	118	110.8 Å²	110.8	63%	0.631	57%	0.574	S	S	*	*	H	α-helix	trans	-66.5	-35	179.9	-76.1	2.3	0	0	0	111.5	D3 K9	D3-D5 VanDerWaalsContact C-N 3.3Å; D3-D5 PolarHBondContact O-N 2.76Å; D3-D5 WeakPolarHBondContact OD1-CB 3.22Å; D3-D5 PolarHBondContact OD1-N 2.78Å; D5-K9 WeakPolarHBondContact O-CB 3.47Å; D5-K9 PolarHBondContact O-N 3.11Å
6	S	77	Confident	74.6	Confident	56 Å²	56	113.4 Å²	113.4	39%	0.392	58%	0.583	S	S	.	*	H	α-helix	trans	-69.5	-35.9	178	-61.8	0	0	0	0	111.8	D3 K4 Y10	D3-S6 WeakPolarHBondContact O-CB 3.43Å; D3-S6 PolarHBondContact O-N 3.21Å; D3-S6 WeakPolarHBondContact OD1-CB 3.44Å; D3-S6 PolarHBondContact OD1-N 2.62Å; D3-S6 PolarHBondContact OD1-OG 3.4Å; D3-S6 PolarHBondContact OD2-OG 3.19Å; D3-S6 VanDerWaalsContact OD2-OG 3.07Å; K4-S6 VanDerWaalsContact C-N 3.3Å; K4-S6 PolarHBondContact O-N 2.98Å; S6-Y10 WeakPolarHBondContact O-CB 3.36Å; S6-Y10 PolarHBondContact O-N 3.05Å; S6-Y10 VanDerWaalsContact O-N 3.09Å
7	V	74.9	Confident	74.9	Confident	66 Å²	66	112.4 Å²	112.4	40%	0.4	57%	0.573	S	S	.	*	H	α-helix	trans	-72.5	-42.6	175.2	177.6	0	0	0	0	110.9	A2 D3 K4 Y10 L11	A2-V7 HydrophobicContact CB-CG2 4.04Å; D3-V7 PolarHBondContact O-N 3.46Å; K4-V7 PolarHBondContact O-N 3.35Å; V7-Y10 PolarHBondContact O-N 3.3Å; V7-L11 HydrophobicContact CG1-CD1 3.86Å; V7-L11 HydrophobicContact CG1-CG 4.4Å; V7-L11 WeakPolarHBondContact O-CG 3Å; V7-L11 PolarHBondContact O-N 3Å
8	E	76.8	Confident	74.8	Confident	97 Å²	97	108.1 Å²	108.1	45%	0.453	56%	0.558	S	S	.	*	H	α-helix	trans	-62	-47.8	175.9	-81	177.7	-174.4	0	0	111.4	K4 Y10 L11 E12	K4-E8 WeakPolarHBondContact CE-OE1 3.07Å; K4-E8 PolarHBondContact O-N 2.74Å; E8-Y10 VanDerWaalsContact C-N 3.27Å; E8-Y10 PolarHBondContact O-N 2.98Å; E8-L11 PolarHBondContact O-N 3.1Å; E8-E12 WeakPolarHBondContact O-CG 3.46Å; E8-E12 PolarHBondContact O-N 2.96Å
9	K	79.5	Confident	74.8	Confident	140 Å²	140	109.9 Å²	109.9	61%	0.609	56%	0.561	S	S	*	*	H	α-helix	trans	-59.1	-37	173.9	-106	176.1	177	168.2	0	113.1	D5 N13	D5-K9 WeakPolarHBondContact O-CB 3.47Å; D5-K9 PolarHBondContact O-N 3.11Å; K9-N13 WeakPolarHBondContact O-CB 3.47Å; K9-N13 VanDerWaalsContact O-CG 3.32Å; K9-N13 PolarHBondContact O-N 3.44Å; K9-N13 PolarHBondContact O-ND2 3.23Å
10	Y	79.8	Confident	74.7	Confident	118 Å²	118	110.8 Å²	110.8	46%	0.463	56%	0.562	S	S	.	*	H	α-helix	trans	-69.5	-40.9	178.7	-176.8	-95.7	0	0	0	111.6	S6 V7 E8 N13 N14 F17	S6-Y10 WeakPolarHBondContact O-CB 3.36Å; S6-Y10 PolarHBondContact O-N 3.05Å; S6-Y10 VanDerWaalsContact O-N 3.09Å; V7-Y10 PolarHBondContact O-N 3.3Å; E8-Y10 VanDerWaalsContact C-N 3.27Å; E8-Y10 PolarHBondContact O-N 2.98Å; Y10-N13 PolarHBondContact O-N 3.39Å; Y10-N14 WeakPolarHBondContact O-CB 3.29Å; Y10-N14 PolarHBondContact O-N 3.02Å; Y10-N14 PolarHBondContact O-ND2 2.84Å; Y10-F17 AromaticContact CE1-CD1 3.91Å; Y10-F17 HydrophobicContact CE1-CD1 3.91Å; Y10-F17 HydrophobicContact CE1-CE1 4.14Å; Y10-F17 HydrophobicContact CE1-CG 4.29Å
11	L	76.6	Confident	74.4	Confident	66 Å²	66	111.6 Å²	111.6	35%	0.346	56%	0.56	S	S	.	*	H	α-helix	trans	-70.7	-38.3	178.8	-70.3	168.9	0	0	0	112.5	V7 E8 N13 N14 F17 A18	V7-L11 HydrophobicContact CG1-CD1 3.86Å; V7-L11 HydrophobicContact CG1-CG 4.4Å; V7-L11 WeakPolarHBondContact O-CG 3Å; V7-L11 PolarHBondContact O-N 3Å; E8-L11 PolarHBondContact O-N 3.1Å; L11-N13 VanDerWaalsContact C-N 3.33Å; L11-N14 CarbonylContact O-C 3.37Å; L11-N14 PolarHBondContact O-N 3.41Å; L11-F17 HydrophobicContact CD2-CD1 4.29Å; L11-A18 HydrophobicContact CD2-CB 3.94Å
12	E	77.8	Confident	75.5	Confident	152 Å²	152	105.2 Å²	105.2	71%	0.71	53%	0.525	S	S	*	.	H	α-helix	trans	-63.1	-39.2	173.5	-76.1	-176.2	162.6	0	0	112.2	E8	E8-E12 WeakPolarHBondContact O-CG 3.46Å; E8-E12 PolarHBondContact O-N 2.96Å
13	N	80.9	Confident	75.9	Confident	121 Å²	121	104.7 Å²	104.7	65%	0.647	51%	0.512	S	S	*	.	H	α-helix	trans	-82	-13.3	179.4	-70.5	-47.6	0	0	0	113.7	K9 Y10 L11 P15	K9-N13 WeakPolarHBondContact O-CB 3.47Å; K9-N13 VanDerWaalsContact O-CG 3.32Å; K9-N13 PolarHBondContact O-N 3.44Å; K9-N13 PolarHBondContact O-ND2 3.23Å; Y10-N13 PolarHBondContact O-N 3.39Å; L11-N13 VanDerWaalsContact C-N 3.33Å; N13-P15 VanDerWaalsContact C-CD 3.48Å
14	N	81.5	Confident	75	Confident	62 Å²	62	108.9 Å²	108.9	33%	0.332	53%	0.526	S	S	.	.			trans	-131.4	64.1	-179.4	-60.4	-86.9	0	0	0	111.5	Y10 L11 Q16 F17 A18	Y10-N14 WeakPolarHBondContact O-CB 3.29Å; Y10-N14 PolarHBondContact O-N 3.02Å; Y10-N14 PolarHBondContact O-ND2 2.84Å; L11-N14 CarbonylContact O-C 3.37Å; L11-N14 PolarHBondContact O-N 3.41Å; N14-Q16 PolarHBondContact O-N 3.45Å; N14-Q16 VanDerWaalsContact O-N 3.08Å; N14-F17 HydrophobicContact CB-CB 4.01Å; N14-F17 WeakPolarHBondContact O-CB 3.4Å; N14-F17 PolarHBondContact O-N 3.49Å; N14-A18 PolarHBondContact O-N 3.35Å
15	P	76.5	Confident	73.9	Confident	92 Å²	92	106.2 Å²	106.2	60%	0.597	51%	0.514	S	S	*	.	H	α-helix	trans	-60.6	-23.8	-178.4	22.6	-32.4	0	0	0	113	N13 K19	N13-P15 VanDerWaalsContact C-CD 3.48Å; P15-K19 WeakPolarHBondContact O-CB 3.48Å; P15-K19 PolarHBondContact O-N 2.93Å
16	Q	77.2	Confident	72.9	Confident	153 Å²	153	104.9 Å²	104.9	72%	0.715	51%	0.506	S	S	*	.	H	α-helix	trans	-71.2	-38.5	176.4	-146.7	138.1	0.8	0	0	112.2	N14 K19 E20	N14-Q16 PolarHBondContact O-N 3.45Å; N14-Q16 VanDerWaalsContact O-N 3.08Å; Q16-K19 PolarHBondContact O-N 3.36Å; Q16-E20 WeakPolarHBondContact O-CB 3.31Å; Q16-E20 WeakPolarHBondContact O-CG 3.39Å; Q16-E20 PolarHBondContact O-N 2.74Å
17	F	78.9	Confident	72.2	Confident	95 Å²	95	108.9 Å²	108.9	42%	0.417	51%	0.513	S	S	.	.	H	α-helix	trans	-68.8	-39.2	174	-177.5	-93.7	0	0	0	111.3	Y10 L11 N14 K19 E20 Y21	Y10-F17 AromaticContact CE1-CD1 3.91Å; Y10-F17 HydrophobicContact CE1-CD1 3.91Å; Y10-F17 HydrophobicContact CE1-CE1 4.14Å; Y10-F17 HydrophobicContact CE1-CG 4.29Å; L11-F17 HydrophobicContact CD2-CD1 4.29Å; N14-F17 HydrophobicContact CB-CB 4.01Å; N14-F17 WeakPolarHBondContact O-CB 3.4Å; N14-F17 PolarHBondContact O-N 3.49Å; F17-K19 VanDerWaalsContact C-N 3.35Å; F17-E20 PolarHBondContact O-N 3.49Å; F17-Y21 WeakPolarHBondContact O-CB 3.34Å; F17-Y21 PolarHBondContact O-N 3.3Å
18	A	73.8	Confident	71.3	Confident	36 Å²	36	108.4 Å²	108.4	30%	0.298	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-42.6	173.9	0	0	0	0	0	111.7	L11 N14 F22	L11-A18 HydrophobicContact CD2-CB 3.94Å; N14-A18 PolarHBondContact O-N 3.35Å; A18-F22 VanDerWaalsContact O-CB 3.29Å; A18-F22 WeakPolarHBondContact O-CB 3.49Å; A18-F22 PolarHBondContact O-N 3.35Å
19	K	74.3	Confident	70.2	Confident	143 Å²	143	109 Å²	109	62%	0.622	52%	0.519	S	S	*	.	H	α-helix	trans	-65.8	-45.5	175.3	-170.5	176.2	-179.8	-179.6	0	112.1	P15 Q16 F17 F22 D23	P15-K19 WeakPolarHBondContact O-CB 3.48Å; P15-K19 PolarHBondContact O-N 2.93Å; Q16-K19 PolarHBondContact O-N 3.36Å; F17-K19 VanDerWaalsContact C-N 3.35Å; K19-F22 PolarHBondContact O-N 3.48Å; K19-D23 WeakPolarHBondContact O-CB 3.32Å; K19-D23 PolarHBondContact O-N 3.18Å
20	E	72.9	Confident	69.2	Low	126 Å²	126	105 Å²	105	59%	0.589	51%	0.511	S	S	*	.	H	α-helix	trans	-63.1	-41.6	175.6	-79.5	-176.8	174.6	0	0	112.1	Q16 F17 D23 K24	Q16-E20 WeakPolarHBondContact O-CB 3.31Å; Q16-E20 WeakPolarHBondContact O-CG 3.39Å; Q16-E20 PolarHBondContact O-N 2.74Å; F17-E20 PolarHBondContact O-N 3.49Å; E20-D23 PolarHBondContact O-N 2.84Å; E20-K24 WeakPolarHBondContact O-CB 3.37Å; E20-K24 PolarHBondContact O-N 2.86Å
21	Y	68.9	Low	68	Low	128 Å²	128	103.3 Å²	103.3	50%	0.502	51%	0.51	S	S	.	.	H	α-helix	trans	-65.2	-41.6	176	-172.9	-93.8	0	0	0	111.6	F17 K24 K25 L26	F17-Y21 WeakPolarHBondContact O-CB 3.34Å; F17-Y21 PolarHBondContact O-N 3.3Å; Y21-K24 PolarHBondContact O-N 3Å; Y21-K25 HydrophobicContact CE1-CB 4.39Å; Y21-K25 HydrophobicContact CE2-CB 4.33Å; Y21-K25 HydrophobicContact CE2-CG 4.29Å; Y21-K25 WeakPolarHBondContact O-CB 3.42Å; Y21-K25 PolarHBondContact O-N 2.87Å; Y21-L26 HydrophobicContact CE1-CD1 4.47Å
22	F	68.9	Low	67	Low	114 Å²	114	103.9 Å²	103.9	50%	0.5	52%	0.519	S	S	.	.	I	π-helix	trans	-60.5	-47.1	172.8	-176.7	-94.2	0	0	0	111.4	A18 K19 L26 R27	A18-F22 VanDerWaalsContact O-CB 3.29Å; A18-F22 WeakPolarHBondContact O-CB 3.49Å; A18-F22 PolarHBondContact O-N 3.35Å; K19-F22 PolarHBondContact O-N 3.48Å; F22-L26 HydrophobicContact CD2-CB 3.92Å; F22-L26 HydrophobicContact CE2-CB 4.32Å; F22-L26 HydrophobicContact CE2-CD2 4.4Å; F22-L26 HydrophobicContact CG-CB 4.5Å; F22-L26 PolarHBondContact O-N 3.39Å; F22-R27 WeakPolarHBondContact O-CB 3.25Å; F22-R27 PolarHBondContact O-N 3.09Å
23	D	66.3	Low	66	Low	66 Å²	66	99.2 Å²	99.2	35%	0.353	51%	0.507	S	S	.	.	I	π-helix	trans	-68.8	-32.9	-179.8	-83.2	-42.5	0	0	0	113.4	K19 E20 R27	K19-D23 WeakPolarHBondContact O-CB 3.32Å; K19-D23 PolarHBondContact O-N 3.18Å; E20-D23 PolarHBondContact O-N 2.84Å; D23-R27 WeakPolarHBondContact OD1-CD 3.4Å; D23-R27 IonicContact OD1-CZ 2.82Å; D23-R27 IonicContact OD1-NH1 2.95Å; D23-R27 PolarHBondContact OD1-NH1 3.32Å
24	K	58.6	Low	64.7	Low	181 Å²	181	96.2 Å²	96.2	79%	0.787	50%	0.499	S	S	*	.	I	π-helix	trans	-87.2	-37.8	-178.3	-119.7	175.7	-179.1	173.4	0	114.5	E20 Y21	E20-K24 WeakPolarHBondContact O-CB 3.37Å; E20-K24 PolarHBondContact O-N 2.86Å; Y21-K24 PolarHBondContact O-N 3Å
25	K	53.3	Low	63.5	Low	101 Å²	101	96.1 Å²	96.1	44%	0.439	50%	0.496	S	S	.	.	I	π-helix	trans	-111.4	-55.1	-168.1	-102.2	-81.2	175	-179.4	0	112.2	Y21 E29	Y21-K25 HydrophobicContact CE1-CB 4.39Å; Y21-K25 HydrophobicContact CE2-CB 4.33Å; Y21-K25 HydrophobicContact CE2-CG 4.29Å; Y21-K25 WeakPolarHBondContact O-CB 3.42Å; Y21-K25 PolarHBondContact O-N 2.87Å; K25-E29 IonicContact NZ-OE1 3.39Å; K25-E29 PolarHBondContact NZ-OE1 2.96Å; K25-E29 WeakPolarHBondContact O-CB 3.2Å; K25-E29 PolarHBondContact O-N 3.09Å; K25-E29 VanDerWaalsContact O-N 3.14Å
26	L	56.3	Low	62.3	Low	89 Å²	89	95.8 Å²	95.8	47%	0.466	50%	0.496	S	S	.	.	I	π-helix	trans	-74.7	-37.6	-176	-113.6	131.7	0	0	0	112.7	Y21 F22 A30	Y21-L26 HydrophobicContact CE1-CD1 4.47Å; F22-L26 HydrophobicContact CD2-CB 3.92Å; F22-L26 HydrophobicContact CE2-CB 4.32Å; F22-L26 HydrophobicContact CE2-CD2 4.4Å; F22-L26 HydrophobicContact CG-CB 4.5Å; F22-L26 PolarHBondContact O-N 3.39Å; L26-A30 WeakPolarHBondContact O-CB 3.29Å; L26-A30 PolarHBondContact O-N 3.25Å
27	R	62.6	Low	61.3	Low	140 Å²	140	96.2 Å²	96.2	53%	0.528	50%	0.498	S	S	.	.	H	α-helix	trans	-66.5	-43.4	177.3	-167.2	174.8	-178.8	179.1	-2.7	111.8	F22 D23 L31	F22-R27 WeakPolarHBondContact O-CB 3.25Å; F22-R27 PolarHBondContact O-N 3.09Å; D23-R27 WeakPolarHBondContact OD1-CD 3.4Å; D23-R27 IonicContact OD1-CZ 2.82Å; D23-R27 IonicContact OD1-NH1 2.95Å; D23-R27 PolarHBondContact OD1-NH1 3.32Å; R27-L31 HydrophobicContact CG-CD1 3.77Å; R27-L31 HydrophobicContact CG-CG 4.47Å; R27-L31 WeakPolarHBondContact O-CB 3.41Å; R27-L31 WeakPolarHBondContact O-CD1 3.09Å; R27-L31 WeakPolarHBondContact O-CG 3.48Å; R27-L31 PolarHBondContact O-N 2.72Å
28	A	55.7	Low	60.1	Low	56 Å²	56	97.3 Å²	97.3	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-70.8	-44	179.5	0	0	0	0	0	112.9	S32	A28-S32 VanDerWaalsContact O-CB 3.27Å; A28-S32 WeakPolarHBondContact O-CB 3.38Å; A28-S32 PolarHBondContact O-N 2.94Å
29	E	54.9	Low	59.4	Low	111 Å²	111	98.5 Å²	98.5	52%	0.519	52%	0.515	S	S	.	.	H	α-helix	trans	-70.2	-38	177.1	-75.6	167.1	-176	0	0	111.8	K25 S32 A33	K25-E29 IonicContact NZ-OE1 3.39Å; K25-E29 PolarHBondContact NZ-OE1 2.96Å; K25-E29 WeakPolarHBondContact O-CB 3.2Å; K25-E29 PolarHBondContact O-N 3.09Å; K25-E29 VanDerWaalsContact O-N 3.14Å; E29-S32 PolarHBondContact O-N 3.46Å; E29-A33 VanDerWaalsContact O-CB 3.3Å; E29-A33 WeakPolarHBondContact O-CB 3.49Å; E29-A33 PolarHBondContact O-N 3.18Å
30	A	56.6	Low	58.4	Low	54 Å²	54	97 Å²	97	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-72.1	-36.1	175.4	0	0	0	0	0	113	L26 A34	L26-A30 WeakPolarHBondContact O-CB 3.29Å; L26-A30 PolarHBondContact O-N 3.25Å; A30-A34 WeakPolarHBondContact O-CB 3.11Å; A30-A34 PolarHBondContact O-N 3.01Å
31	L	54.8	Low	57.6	Low	83 Å²	83	92.3 Å²	92.3	44%	0.435	49%	0.493	S	S	.	.	H	α-helix	trans	-64.5	-47.5	170.7	-72.9	162.7	0	0	0	109.6	R27 A33 A34 F35	R27-L31 HydrophobicContact CG-CD1 3.77Å; R27-L31 HydrophobicContact CG-CG 4.47Å; R27-L31 WeakPolarHBondContact O-CB 3.41Å; R27-L31 WeakPolarHBondContact O-CD1 3.09Å; R27-L31 WeakPolarHBondContact O-CG 3.48Å; R27-L31 PolarHBondContact O-N 2.72Å; L31-A33 PolarHBondContact O-N 3.28Å; L31-A34 PolarHBondContact O-N 2.81Å; L31-F35 HydrophobicContact CB-CD2 4.19Å; L31-F35 HydrophobicContact CB-CE2 4.17Å; L31-F35 HydrophobicContact CD2-CD2 4.38Å; L31-F35 HydrophobicContact CD2-CE2 3.54Å; L31-F35 HydrophobicContact CD2-CZ 4.35Å; L31-F35 HydrophobicContact CG-CE2 4.46Å; L31-F35 WeakPolarHBondContact O-CB 3.41Å; L31-F35 WeakPolarHBondContact O-CD2 3.44Å; L31-F35 WeakPolarHBondContact O-CG 3.43Å; L31-F35 PolarHBondContact O-N 3.13Å
32	S	56	Low	56.7	Low	78 Å²	78	94.5 Å²	94.5	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-57.8	-45.4	176.7	-172.3	0	0	0	0	112.2	A28 E29 F35 S36	A28-S32 VanDerWaalsContact O-CB 3.27Å; A28-S32 WeakPolarHBondContact O-CB 3.38Å; A28-S32 PolarHBondContact O-N 2.94Å; E29-S32 PolarHBondContact O-N 3.46Å; S32-F35 PolarHBondContact O-N 3.27Å; S32-S36 VanDerWaalsContact O-CB 3.26Å; S32-S36 WeakPolarHBondContact O-CB 3.37Å; S32-S36 PolarHBondContact O-N 3.22Å; S32-S36 VanDerWaalsContact O-N 3.07Å; S32-S36 PolarHBondContact O-OG 3.09Å
33	A	56.5	Low	55.9	Low	55 Å²	55	93.6 Å²	93.6	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-66.4	-43.5	176.6	0	0	0	0	0	112.8	E29 L31 F35 S36	E29-A33 VanDerWaalsContact O-CB 3.3Å; E29-A33 WeakPolarHBondContact O-CB 3.49Å; E29-A33 PolarHBondContact O-N 3.18Å; L31-A33 PolarHBondContact O-N 3.28Å; A33-F35 PolarHBondContact O-N 2.87Å; A33-S36 WeakPolarHBondContact CA-OG 3.3Å; A33-S36 PolarHBondContact O-N 3.29Å; A33-S36 PolarHBondContact O-OG 3.12Å
34	A	54.8	Low	55.3	Low	57 Å²	57	94.4 Å²	94.4	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-66.2	-23.3	178.1	0	0	0	0	0	113.5	A30 L31	A30-A34 WeakPolarHBondContact O-CB 3.11Å; A30-A34 PolarHBondContact O-N 3.01Å; L31-A34 PolarHBondContact O-N 2.81Å
35	F	54.9	Low	54.8	Low	61 Å²	61	89.7 Å²	89.7	27%	0.268	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	1	-180	-67.4	-59.6	0	0	0	114.2	L31 S32 A33 A56 A57 F60	L31-F35 HydrophobicContact CB-CD2 4.19Å; L31-F35 HydrophobicContact CB-CE2 4.17Å; L31-F35 HydrophobicContact CD2-CD2 4.38Å; L31-F35 HydrophobicContact CD2-CE2 3.54Å; L31-F35 HydrophobicContact CD2-CZ 4.35Å; L31-F35 HydrophobicContact CG-CE2 4.46Å; L31-F35 WeakPolarHBondContact O-CB 3.41Å; L31-F35 WeakPolarHBondContact O-CD2 3.44Å; L31-F35 WeakPolarHBondContact O-CG 3.43Å; L31-F35 PolarHBondContact O-N 3.13Å; S32-F35 PolarHBondContact O-N 3.27Å; A33-F35 PolarHBondContact O-N 2.87Å; F35-A56 HydrophobicContact CZ-CB 4.46Å; F35-A57 HydrophobicContact CE1-CB 4.39Å; F35-F60 HydrophobicContact CB-CD1 3.85Å; F35-F60 HydrophobicContact CB-CE1 3.64Å; F35-F60 HydrophobicContact CB-CZ 4.32Å; F35-F60 HydrophobicContact CD1-CB 3.92Å; F35-F60 AromaticContact CD1-CD1 3.69Å; F35-F60 HydrophobicContact CD1-CD1 3.69Å; F35-F60 HydrophobicContact CD1-CE1 4.34Å; F35-F60 AromaticContact CD1-CG 3.85Å; F35-F60 HydrophobicContact CD1-CG 3.85Å; F35-F60 HydrophobicContact CE1-CB 4.02Å; F35-F60 HydrophobicContact CE1-CG 4.34Å; F35-F60 HydrophobicContact CG-CD1 4.03Å; F35-F60 HydrophobicContact CG-CE1 4.22Å; F35-F60 HydrophobicContact CG-CG 4.38Å
36	S	53.1	Low	54.5	Low	85 Å²	85	88.6 Å²	88.6	59%	0.594	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-16	178	45.8	0	0	0	0	114.4	S32 A33	S32-S36 VanDerWaalsContact O-CB 3.26Å; S32-S36 WeakPolarHBondContact O-CB 3.37Å; S32-S36 PolarHBondContact O-N 3.22Å; S32-S36 VanDerWaalsContact O-N 3.07Å; S32-S36 PolarHBondContact O-OG 3.09Å; A33-S36 WeakPolarHBondContact CA-OG 3.3Å; A33-S36 PolarHBondContact O-N 3.29Å; A33-S36 PolarHBondContact O-OG 3.12Å
37	E	54.7	Low	54.3	Low	162 Å²	162	85.4 Å²	85.4	76%	0.757	50%	0.495	S	S	*	.	S	Bend	trans	-79.2	133.3	169.8	-73.3	-169.2	163.7	0	0	111.4	L39	E37-L39 PolarHBondContact O-N 3.4Å
38	P	55.3	Low	53.8	Low	117 Å²	117	86.9 Å²	86.9	76%	0.76	51%	0.505	S	S	*	.			trans	-63.5	128.1	172	24.9	-30.2	0	0	0	109.8	D40	P38-D40 PolarHBondContact O-N 2.92Å
39	L	59	Low	53.7	Low	61 Å²	61	91.1 Å²	91.1	32%	0.319	52%	0.52	S	S	.	.			trans	-56.8	97.2	172.7	-97.4	149	0	0	0	110.4	E37 I41 A57 I58 D61	E37-L39 PolarHBondContact O-N 3.4Å; L39-I41 PolarHBondContact O-N 2.9Å; L39-A57 HydrophobicContact CD1-CB 3.98Å; L39-I58 HydrophobicContact CD1-CG1 4.37Å; L39-D61 HydrophobicContact CD1-CB 4.36Å
40	D	52.9	Low	53.9	Low	112 Å²	112	88 Å²	88	60%	0.599	51%	0.508	S	S	*	.			trans	-88.9	94.5	178.9	-163.3	9.4	0	0	0	109.8	P38 K42	P38-D40 PolarHBondContact O-N 2.92Å; D40-K42 PolarHBondContact O-N 2.78Å; D40-K42 VanDerWaalsContact O-N 3.07Å; D40-K42 WeakPolarHBondContact OD2-CE 3.2Å; D40-K42 IonicContact OD2-NZ 2.75Å; D40-K42 PolarHBondContact OD2-NZ 2.51Å
41	I	56.5	Low	54.2	Low	28 Å²	28	89 Å²	89	14%	0.144	51%	0.506	C	S	.	.			trans	-81.2	88.6	-179.1	-56.9	163.6	0	0	0	108.5	L39 T44 L85	L39-I41 PolarHBondContact O-N 2.9Å; I41-T44 HydrophobicContact CG2-CG2 4.38Å; I41-L85 HydrophobicContact CD1-CD2 3.82Å; I41-L85 HydrophobicContact CG1-CD2 4.34Å; I41-L85 HydrophobicContact CG2-CD1 4.34Å
42	K	49.7	Very low	54.6	Low	173 Å²	173	89.6 Å²	89.6	75%	0.752	52%	0.518	S	S	*	.			trans	-96.8	-21.3	176.9	-79.6	174.8	172.3	151.5	0	114.6	D40	D40-K42 PolarHBondContact O-N 2.78Å; D40-K42 VanDerWaalsContact O-N 3.07Å; D40-K42 WeakPolarHBondContact OD2-CE 3.2Å; D40-K42 IonicContact OD2-NZ 2.75Å; D40-K42 PolarHBondContact OD2-NZ 2.51Å
43	D	51.5	Low	55.1	Low	95 Å²	95	90.3 Å²	90.3	51%	0.508	52%	0.518	S	S	.	.			trans	-139.8	97.1	-176.3	-161.9	-8.1	0	0	0	112.8	A45 S46	D43-A45 PolarHBondContact O-N 3.16Å; D43-A45 WeakPolarHBondContact OD1-CB 3.37Å; D43-A45 PolarHBondContact OD1-N 2.83Å; D43-S46 PolarHBondContact O-N 3.26Å; D43-S46 PolarHBondContact O-OG 3.21Å
44	T	53.3	Low	55.7	Low	83 Å²	83	90.4 Å²	90.4	51%	0.509	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-65.4	-17.8	178	47	0	0	0	0	113.2	I41 S46 L85 P115	I41-T44 HydrophobicContact CG2-CG2 4.38Å; T44-S46 VanDerWaalsContact C-N 3.32Å; T44-L85 HydrophobicContact CG2-CD1 4.35Å; T44-P115 HydrophobicContact CG2-CB 4.35Å
45	A	48.2	Very low	56.5	Low	82 Å²	82	90.2 Å²	90.2	68%	0.678	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-76.9	-17.4	-179.6	0	0	0	0	0	113.5	D43	D43-A45 PolarHBondContact O-N 3.16Å; D43-A45 WeakPolarHBondContact OD1-CB 3.37Å; D43-A45 PolarHBondContact OD1-N 2.83Å
46	S	47.9	Very low	57.4	Low	78 Å²	78	89.3 Å²	89.3	55%	0.545	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-81.7	-11.7	-179	67.9	0	0	0	0	114.5	D43 T44 K48	D43-S46 PolarHBondContact O-N 3.26Å; D43-S46 PolarHBondContact O-OG 3.21Å; T44-S46 VanDerWaalsContact C-N 3.32Å; S46-K48 PolarHBondContact O-N 2.88Å
47	F	52.4	Low	58.5	Low	22 Å²	22	86 Å²	86	10%	0.096	48%	0.48	C	S	.	.			trans	-94.8	41.6	-173.8	-84.6	-88.9	0	0	0	113.3	D49 V50 Q54 L85 Q88	F47-D49 VanDerWaalsContact C-N 3.32Å; F47-V50 HydrophobicContact CD1-CG2 4.22Å; F47-Q54 HydrophobicContact CE1-CB 4.47Å; F47-Q54 HydrophobicContact CE1-CG 4.48Å; F47-L85 HydrophobicContact CD1-CD2 4.45Å; F47-L85 HydrophobicContact CD2-CD1 4.33Å; F47-L85 HydrophobicContact CE1-CD2 4.28Å; F47-L85 HydrophobicContact CG-CD1 4.34Å; F47-L85 HydrophobicContact CZ-CD2 4.32Å; F47-Q88 PolarHBondContact O-NE2 3.22Å
48	K	50.8	Low	59.6	Low	171 Å²	171	78.4 Å²	78.4	74%	0.743	45%	0.445	S	S	*	.	S	Bend	trans	-69.8	-31.8	179.9	-136.7	178	-176.1	-178.2	0	112.5	S46	S46-K48 PolarHBondContact O-N 2.88Å
49	D	53	Low	60.9	Low	146 Å²	146	74.8 Å²	74.8	78%	0.781	42%	0.418	S	S	*	.	S	Bend	trans	-138.2	105.4	172.3	-65.4	-55.2	0	0	0	109	F47 N51	F47-D49 VanDerWaalsContact C-N 3.32Å; D49-N51 PolarHBondContact O-N 3.34Å
50	V	60.1	Low	62	Low	45 Å²	45	75.7 Å²	75.7	27%	0.273	42%	0.42	S	S	.	.			trans	-61.6	118.6	176.2	-172.3	0	0	0	0	108.2	F47 Q54 E55	F47-V50 HydrophobicContact CD1-CG2 4.22Å; V50-Q54 HydrophobicContact CG1-CB 3.74Å; V50-E55 HydrophobicContact CG1-CB 4.03Å
51	N	62.1	Low	63.4	Low	75 Å²	75	71.3 Å²	71.3	40%	0.401	40%	0.397	S	S	.	.			trans	-73.7	158.2	176.4	73.4	39.4	0	0	0	110.8	D49 V53 Q54 E55	D49-N51 PolarHBondContact O-N 3.34Å; N51-V53 PolarHBondContact O-N 3.24Å; N51-V53 VanDerWaalsContact O-N 3.08Å; N51-V53 WeakPolarHBondContact OD1-CB 3.35Å; N51-V53 PolarHBondContact OD1-N 2.96Å; N51-V53 VanDerWaalsContact OD1-N 3.13Å; N51-Q54 VanDerWaalsContact ND2-CD 3.33Å; N51-Q54 PolarHBondContact ND2-OE1 3.03Å; N51-Q54 PolarHBondContact O-N 2.98Å; N51-Q54 VanDerWaalsContact O-N 3.08Å; N51-Q54 WeakPolarHBondContact OD1-CB 3.3Å; N51-Q54 VanDerWaalsContact OD1-CG 3.24Å; N51-Q54 WeakPolarHBondContact OD1-CG 3.48Å; N51-Q54 PolarHBondContact OD1-N 3.31Å; N51-E55 PolarHBondContact O-N 3.32Å
52	S	64.5	Low	64.7	Low	96 Å²	96	70 Å²	70	67%	0.671	39%	0.39	S	S	*	.	H	α-helix	trans	-59.2	-25.2	-176.3	54.1	0	0	0	0	114.1	A56	S52-A56 WeakPolarHBondContact O-CB 3.44Å; S52-A56 PolarHBondContact O-N 2.97Å; S52-A56 VanDerWaalsContact O-N 3.15Å
53	V	65.8	Low	66.3	Low	92 Å²	92	65.6 Å²	65.6	56%	0.558	37%	0.374	S	S	*	.	H	α-helix	trans	-77.3	-41.1	177.2	-179.4	0	0	0	0	111.1	N51 A56 A57	N51-V53 PolarHBondContact O-N 3.24Å; N51-V53 VanDerWaalsContact O-N 3.08Å; N51-V53 WeakPolarHBondContact OD1-CB 3.35Å; N51-V53 PolarHBondContact OD1-N 2.96Å; N51-V53 VanDerWaalsContact OD1-N 3.13Å; V53-A56 PolarHBondContact O-N 2.68Å; V53-A57 WeakPolarHBondContact O-CB 3.23Å; V53-A57 PolarHBondContact O-N 3.3Å
54	Q	68.4	Low	67.7	Low	57 Å²	57	64.7 Å²	64.7	27%	0.266	37%	0.367	S	S	.	.	H	α-helix	trans	-66.9	-41	174.7	-73.6	167.8	-24.1	0	0	111	F47 V50 N51 A56 A57 I58	F47-Q54 HydrophobicContact CE1-CB 4.47Å; F47-Q54 HydrophobicContact CE1-CG 4.48Å; V50-Q54 HydrophobicContact CG1-CB 3.74Å; N51-Q54 VanDerWaalsContact ND2-CD 3.33Å; N51-Q54 PolarHBondContact ND2-OE1 3.03Å; N51-Q54 PolarHBondContact O-N 2.98Å; N51-Q54 VanDerWaalsContact O-N 3.08Å; N51-Q54 WeakPolarHBondContact OD1-CB 3.3Å; N51-Q54 VanDerWaalsContact OD1-CG 3.24Å; N51-Q54 WeakPolarHBondContact OD1-CG 3.48Å; N51-Q54 PolarHBondContact OD1-N 3.31Å; Q54-A56 VanDerWaalsContact C-N 3.33Å; Q54-A56 PolarHBondContact O-N 3.02Å; Q54-A57 PolarHBondContact O-N 2.78Å; Q54-I58 VanDerWaalsContact O-CG1 3.31Å; Q54-I58 WeakPolarHBondContact O-CG1 3.11Å; Q54-I58 PolarHBondContact O-N 2.88Å
55	E	73.2	Confident	68.9	Low	54 Å²	54	61.3 Å²	61.3	25%	0.252	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-43.9	174.2	-164.2	-170.3	165.6	0	0	110.7	V50 N51 I58 I59 K211 Y212	V50-E55 HydrophobicContact CG1-CB 4.03Å; N51-E55 PolarHBondContact O-N 3.32Å; E55-I58 PolarHBondContact O-N 2.94Å; E55-I59 HydrophobicContact CG-CD1 4.24Å; E55-I59 VanDerWaalsContact O-CG1 3.31Å; E55-I59 WeakPolarHBondContact O-CG1 3.48Å; E55-I59 PolarHBondContact O-N 2.95Å; E55-K211 IonicContact OE1-NZ 3.34Å; E55-K211 PolarHBondContact OE1-NZ 3.39Å; E55-Y212 WeakPolarHBondContact CG-OH 3.45Å
56	A	73.3	Confident	70.4	Confident	41 Å²	41	58.8 Å²	58.8	34%	0.339	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-39.7	175.7	0	0	0	0	0	112.6	F35 S52 V53 Q54 I59 F60	F35-A56 HydrophobicContact CZ-CB 4.46Å; S52-A56 WeakPolarHBondContact O-CB 3.44Å; S52-A56 PolarHBondContact O-N 2.97Å; S52-A56 VanDerWaalsContact O-N 3.15Å; V53-A56 PolarHBondContact O-N 2.68Å; Q54-A56 VanDerWaalsContact C-N 3.33Å; Q54-A56 PolarHBondContact O-N 3.02Å; A56-I59 PolarHBondContact O-N 2.73Å; A56-F60 WeakPolarHBondContact O-CB 3.2Å; A56-F60 PolarHBondContact O-N 3Å
57	A	75.6	Confident	71.8	Confident	16 Å²	16	63.1 Å²	63.1	13%	0.132	33%	0.332	C	S	.	.	H	α-helix	trans	-64.1	-41.2	175.7	0	0	0	0	0	112.1	F35 L39 V53 Q54 F60 D61	F35-A57 HydrophobicContact CE1-CB 4.39Å; L39-A57 HydrophobicContact CD1-CB 3.98Å; V53-A57 WeakPolarHBondContact O-CB 3.23Å; V53-A57 PolarHBondContact O-N 3.3Å; Q54-A57 PolarHBondContact O-N 2.78Å; A57-F60 PolarHBondContact O-N 2.9Å; A57-D61 PolarHBondContact O-N 3.48Å
58	I	78	Confident	73.2	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-64.9	-46.7	175.5	-65.3	164.5	0	0	0	110.5	L39 Q54 E55 F60 D61 L62 R82 I86 Y212	L39-I58 HydrophobicContact CD1-CG1 4.37Å; Q54-I58 VanDerWaalsContact O-CG1 3.31Å; Q54-I58 WeakPolarHBondContact O-CG1 3.11Å; Q54-I58 PolarHBondContact O-N 2.88Å; E55-I58 PolarHBondContact O-N 2.94Å; I58-F60 VanDerWaalsContact C-N 3.25Å; I58-F60 PolarHBondContact O-N 2.79Å; I58-D61 PolarHBondContact O-N 2.76Å; I58-L62 HydrophobicContact CG2-CD1 4.24Å; I58-L62 HydrophobicContact CG2-CG 4.31Å; I58-L62 VanDerWaalsContact O-CG 3.31Å; I58-L62 WeakPolarHBondContact O-CG 3.26Å; I58-L62 PolarHBondContact O-N 3.26Å; I58-R82 HydrophobicContact CG2-CB 3.8Å; I58-R82 HydrophobicContact CG2-CG 3.99Å; I58-I86 HydrophobicContact CD1-CD1 3.91Å; I58-I86 HydrophobicContact CD1-CG1 3.9Å; I58-I86 HydrophobicContact CG2-CD1 3.84Å; I58-Y212 HydrophobicContact CG2-CE1 4.31Å
59	I	81.9	Confident	74.1	Confident	41 Å²	41	67.5 Å²	67.5	21%	0.21	35%	0.354	C	S	.	.	H	α-helix	trans	-58.5	-41.3	177.3	-69.2	165.7	0	0	0	110.7	E55 A56 L62 L63 Y212 F215	E55-I59 HydrophobicContact CG-CD1 4.24Å; E55-I59 VanDerWaalsContact O-CG1 3.31Å; E55-I59 WeakPolarHBondContact O-CG1 3.48Å; E55-I59 PolarHBondContact O-N 2.95Å; A56-I59 PolarHBondContact O-N 2.73Å; I59-L62 PolarHBondContact O-N 3Å; I59-L63 HydrophobicContact CG2-CD1 4.02Å; I59-L63 HydrophobicContact CG2-CG 4.45Å; I59-L63 WeakPolarHBondContact O-CB 3.19Å; I59-L63 WeakPolarHBondContact O-CG 3.42Å; I59-L63 PolarHBondContact O-N 3.36Å; I59-Y212 HydrophobicContact CG1-CE1 4Å; I59-F215 HydrophobicContact CG2-CZ 4Å
60	F	82.4	Confident	75.3	Confident	80 Å²	80	63.5 Å²	63.5	35%	0.351	34%	0.335	S	S	.	.	H	α-helix	trans	-65	-43.1	177	-172.8	-107.7	0	0	0	112.8	F35 A56 A57 I58 L62 L63 Q64	F35-F60 HydrophobicContact CB-CD1 3.85Å; F35-F60 HydrophobicContact CB-CE1 3.64Å; F35-F60 HydrophobicContact CB-CZ 4.32Å; F35-F60 HydrophobicContact CD1-CB 3.92Å; F35-F60 AromaticContact CD1-CD1 3.69Å; F35-F60 HydrophobicContact CD1-CD1 3.69Å; F35-F60 HydrophobicContact CD1-CE1 4.34Å; F35-F60 AromaticContact CD1-CG 3.85Å; F35-F60 HydrophobicContact CD1-CG 3.85Å; F35-F60 HydrophobicContact CE1-CB 4.02Å; F35-F60 HydrophobicContact CE1-CG 4.34Å; F35-F60 HydrophobicContact CG-CD1 4.03Å; F35-F60 HydrophobicContact CG-CE1 4.22Å; F35-F60 HydrophobicContact CG-CG 4.38Å; A56-F60 WeakPolarHBondContact O-CB 3.2Å; A56-F60 PolarHBondContact O-N 3Å; A57-F60 PolarHBondContact O-N 2.9Å; I58-F60 VanDerWaalsContact C-N 3.25Å; I58-F60 PolarHBondContact O-N 2.79Å; F60-L62 PolarHBondContact O-N 3.11Å; F60-L63 PolarHBondContact O-N 3.41Å; F60-Q64 HydrophobicContact CE1-CG 4.3Å; F60-Q64 HydrophobicContact CZ-CG 4.47Å; F60-Q64 WeakPolarHBondContact O-CG 3.29Å; F60-Q64 PolarHBondContact O-N 2.81Å
61	D	82.1	Confident	76.3	Confident	20 Å²	20	63.8 Å²	63.8	11%	0.107	34%	0.342	C	S	.	.	H	α-helix	trans	-58.9	-45.1	173.2	-173.9	34.3	0	0	0	110.7	L39 A57 I58 L63 Q64 E65 K78 R82	L39-D61 HydrophobicContact CD1-CB 4.36Å; A57-D61 PolarHBondContact O-N 3.48Å; I58-D61 PolarHBondContact O-N 2.76Å; D61-L63 PolarHBondContact O-N 2.94Å; D61-Q64 PolarHBondContact O-N 3.34Å; D61-E65 WeakPolarHBondContact O-CG 3.5Å; D61-E65 PolarHBondContact O-N 2.94Å; D61-K78 WeakPolarHBondContact OD1-CE 3.42Å; D61-K78 IonicContact OD1-NZ 3.32Å; D61-K78 PolarHBondContact OD1-NZ 2.84Å; D61-K78 WeakPolarHBondContact OD2-CE 3.28Å; D61-K78 IonicContact OD2-NZ 2.89Å; D61-R82 IonicContact OD2-CZ 3.24Å; D61-R82 VanDerWaalsContact OD2-CZ 3.32Å; D61-R82 IonicContact OD2-NE 2.7Å; D61-R82 PolarHBondContact OD2-NE 2.94Å; D61-R82 IonicContact OD2-NH2 2.74Å; D61-R82 PolarHBondContact OD2-NH2 2.84Å
62	L	83.9	Confident	77.4	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.4	-38.5	176.5	-63.8	-177	0	0	0	112.9	I58 I59 F60 E65 L66 V79 R82 Y212 F215	I58-L62 HydrophobicContact CG2-CD1 4.24Å; I58-L62 HydrophobicContact CG2-CG 4.31Å; I58-L62 VanDerWaalsContact O-CG 3.31Å; I58-L62 WeakPolarHBondContact O-CG 3.26Å; I58-L62 PolarHBondContact O-N 3.26Å; I59-L62 PolarHBondContact O-N 3Å; F60-L62 PolarHBondContact O-N 3.11Å; L62-E65 PolarHBondContact O-N 2.84Å; L62-L66 PolarHBondContact O-N 2.99Å; L62-V79 HydrophobicContact CD2-CB 4.32Å; L62-V79 HydrophobicContact CD2-CG2 3.93Å; L62-R82 HydrophobicContact CD2-CB 4.09Å; L62-R82 HydrophobicContact CD2-CG 3.81Å; L62-Y212 HydrophobicContact CD1-CD1 3.6Å; L62-Y212 HydrophobicContact CD1-CE1 3.87Å; L62-F215 HydrophobicContact CB-CD1 4.08Å; L62-F215 HydrophobicContact CB-CE1 4.41Å; L62-F215 HydrophobicContact CB-CG 4.41Å; L62-F215 HydrophobicContact CD1-CD2 4.22Å; L62-F215 HydrophobicContact CD1-CG 4.27Å
63	L	83.1	Confident	78.6	Confident	81 Å²	81	58.5 Å²	58.5	42%	0.424	31%	0.306	S	S	.	.	H	α-helix	trans	-66.3	-36.2	174.5	-75.9	169.4	0	0	0	112.3	I59 F60 D61 L66 Q67 F215	I59-L63 HydrophobicContact CG2-CD1 4.02Å; I59-L63 HydrophobicContact CG2-CG 4.45Å; I59-L63 WeakPolarHBondContact O-CB 3.19Å; I59-L63 WeakPolarHBondContact O-CG 3.42Å; I59-L63 PolarHBondContact O-N 3.36Å; F60-L63 PolarHBondContact O-N 3.41Å; D61-L63 PolarHBondContact O-N 2.94Å; L63-L66 HydrophobicContact CD2-CD1 4.1Å; L63-L66 WeakPolarHBondContact O-CB 3.49Å; L63-L66 PolarHBondContact O-N 3.31Å; L63-Q67 PolarHBondContact O-N 2.94Å; L63-F215 HydrophobicContact CD2-CE1 3.91Å; L63-F215 HydrophobicContact CG-CE1 4.04Å
64	Q	81.5	Confident	79.7	Confident	77 Å²	77	59 Å²	59	36%	0.36	30%	0.301	S	S	.	.	H	α-helix	trans	-66.9	-41.7	172.8	-72.5	-170.9	4.3	0	0	111.7	F60 D61 L66 Q67 K68	F60-Q64 HydrophobicContact CE1-CG 4.3Å; F60-Q64 HydrophobicContact CZ-CG 4.47Å; F60-Q64 WeakPolarHBondContact O-CG 3.29Å; F60-Q64 PolarHBondContact O-N 2.81Å; D61-Q64 PolarHBondContact O-N 3.34Å; Q64-L66 VanDerWaalsContact C-N 3.3Å; Q64-L66 PolarHBondContact O-N 3.38Å; Q64-Q67 PolarHBondContact O-N 3.34Å; Q64-Q67 VanDerWaalsContact O-N 3.1Å; Q64-K68 WeakPolarHBondContact O-CG 3.21Å; Q64-K68 PolarHBondContact O-N 3.17Å
65	E	78.6	Confident	80.7	Confident	11 Å²	11	56.8 Å²	56.8	5%	0.051	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-36.5	176.2	-66.3	-54.8	147.2	0	0	112.1	D61 L62 Q67 K68 N75 K78	D61-E65 WeakPolarHBondContact O-CG 3.5Å; D61-E65 PolarHBondContact O-N 2.94Å; L62-E65 PolarHBondContact O-N 2.84Å; E65-Q67 PolarHBondContact O-N 2.68Å; E65-K68 PolarHBondContact O-N 2.69Å; E65-K68 IonicContact OE1-NZ 3.88Å; E65-K68 PolarHBondContact OE1-NZ 3.24Å; E65-K68 WeakPolarHBondContact OE2-CD 3.47Å; E65-K68 IonicContact OE2-NZ 3.27Å; E65-N75 PolarHBondContact O-ND2 2.88Å; E65-K78 HydrophobicContact CG-CB 4.4Å; E65-K78 HydrophobicContact CG-CD 3.83Å; E65-K78 HydrophobicContact CG-CG 4.15Å; E65-K78 IonicContact OE1-NZ 3.23Å; E65-K78 PolarHBondContact OE1-NZ 3.16Å
66	L	79.6	Confident	81.5	Confident	30 Å²	30	54.3 Å²	54.3	16%	0.157	28%	0.279	C	S	.	.	H	α-helix	trans	-58.4	-33.1	172	-84.6	168.4	0	0	0	113.4	L62 L63 Q64 F215 V218 I219	L62-L66 PolarHBondContact O-N 2.99Å; L63-L66 HydrophobicContact CD2-CD1 4.1Å; L63-L66 WeakPolarHBondContact O-CB 3.49Å; L63-L66 PolarHBondContact O-N 3.31Å; Q64-L66 VanDerWaalsContact C-N 3.3Å; Q64-L66 PolarHBondContact O-N 3.38Å; L66-F215 HydrophobicContact CD1-CD1 3.63Å; L66-F215 HydrophobicContact CD1-CE1 4.27Å; L66-V218 HydrophobicContact CD2-CB 4.17Å; L66-V218 HydrophobicContact CD2-CG1 3.8Å; L66-I219 HydrophobicContact CD2-CD1 4.16Å; L66-I219 HydrophobicContact CD2-CG1 3.36Å; L66-I219 HydrophobicContact CG-CG1 4.23Å
67	Q	78.1	Confident	82.4	Confident	168 Å²	168	52.7 Å²	52.7	79%	0.785	26%	0.264	S	S	*	.	H	α-helix	trans	-84.1	-16.9	-179.7	-68.6	-175.6	-8.2	0	0	113.3	L63 Q64 E65 Q69	L63-Q67 PolarHBondContact O-N 2.94Å; Q64-Q67 PolarHBondContact O-N 3.34Å; Q64-Q67 VanDerWaalsContact O-N 3.1Å; E65-Q67 PolarHBondContact O-N 2.68Å; Q67-Q69 PolarHBondContact O-N 2.83Å
68	K	80.6	Confident	83.1	Confident	87 Å²	87	54.1 Å²	54.1	38%	0.378	27%	0.268	S	S	.	.	S	Bend	trans	-76.9	124.1	-179.2	-72.7	175.6	-166.4	172.5	0	110.6	Q64 E65 T70 N75	Q64-K68 WeakPolarHBondContact O-CG 3.21Å; Q64-K68 PolarHBondContact O-N 3.17Å; E65-K68 PolarHBondContact O-N 2.69Å; E65-K68 IonicContact OE1-NZ 3.88Å; E65-K68 PolarHBondContact OE1-NZ 3.24Å; E65-K68 WeakPolarHBondContact OE2-CD 3.47Å; E65-K68 IonicContact OE2-NZ 3.27Å; K68-T70 HydrophobicContact CB-CG2 4.23Å; K68-T70 PolarHBondContact O-N 2.97Å; K68-N75 PolarHBondContact O-ND2 3.02Å
69	Q	70.1	Confident	83.6	Confident	198 Å²	198	54.1 Å²	54.1	93%	0.925	27%	0.268	S	S	*	.			trans	-77.4	74	169.8	-66.8	-174.7	-7.6	0	0	110.1	Q67	Q67-Q69 PolarHBondContact O-N 2.83Å
70	T	77.7	Confident	84.1	Confident	62 Å²	62	52.1 Å²	52.1	38%	0.38	26%	0.258	S	S	.	.	S	Bend	trans	-122.8	177.5	172.5	78.3	0	0	0	0	111.5	K68 V72 N75	K68-T70 HydrophobicContact CB-CG2 4.23Å; K68-T70 PolarHBondContact O-N 2.97Å; T70-V72 PolarHBondContact O-N 2.91Å; T70-N75 PolarHBondContact OG1-OD1 3.33Å
71	A	81.7	Confident	84.5	Confident	51 Å²	51	49.4 Å²	49.4	42%	0.421	25%	0.246	S	C	.	.			trans	-54.4	137.5	175.7	0	0	0	0	0	110.5	E73 K74 N75	A71-E73 VanDerWaalsContact C-N 3.28Å; A71-E73 PolarHBondContact O-N 2.88Å; A71-K74 HydrophobicContact CB-CB 4.4Å; A71-K74 VanDerWaalsContact O-CB 3.31Å; A71-K74 WeakPolarHBondContact O-CB 3.36Å; A71-K74 PolarHBondContact O-N 3.33Å; A71-N75 PolarHBondContact O-N 3.44Å
72	V	85.9	Confident	84.8	Confident	23 Å²	23	49.3 Å²	49.3	14%	0.139	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-33.6	-170.5	163.9	0	0	0	0	111.4	T70 K74 N75 L76 I219 Y223	T70-V72 PolarHBondContact O-N 2.91Å; V72-K74 PolarHBondContact O-N 2.92Å; V72-N75 PolarHBondContact O-N 3.11Å; V72-L76 HydrophobicContact CG1-CD1 3.89Å; V72-L76 HydrophobicContact CG1-CG 4.37Å; V72-L76 WeakPolarHBondContact O-CB 3.07Å; V72-L76 WeakPolarHBondContact O-CG 3.26Å; V72-L76 PolarHBondContact O-N 3.45Å; V72-I219 HydrophobicContact CG1-CG2 3.85Å; V72-Y223 HydrophobicContact CB-CD2 4Å; V72-Y223 HydrophobicContact CB-CE2 4.47Å; V72-Y223 HydrophobicContact CB-CG 4.04Å; V72-Y223 HydrophobicContact CG1-CD1 4.28Å; V72-Y223 HydrophobicContact CG1-CD2 4.41Å; V72-Y223 HydrophobicContact CG1-CG 3.93Å; V72-Y223 HydrophobicContact CG2-CD2 3.42Å; V72-Y223 VanDerWaalsContact CG2-CD2 3.42Å; V72-Y223 HydrophobicContact CG2-CE2 4.2Å; V72-Y223 HydrophobicContact CG2-CG 3.69Å
73	E	89.1	Confident	85	Confident	38 Å²	38	49.4 Å²	49.4	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-58.6	-35.2	172	-58.3	87.7	165.3	0	0	111.2	A71 H77 C109 L110 Y119 L123	A71-E73 VanDerWaalsContact C-N 3.28Å; A71-E73 PolarHBondContact O-N 2.88Å; E73-H77 WeakPolarHBondContact O-CB 3.39Å; E73-H77 PolarHBondContact O-N 2.88Å; E73-C109 VanDerWaalsContact CG-SG 3.55Å; E73-L110 HydrophobicContact CB-CD2 4.44Å; E73-Y119 HydrophobicContact CB-CE2 3.83Å; E73-Y119 WeakPolarHBondContact CB-OH 3.38Å; E73-L123 HydrophobicContact CB-CD1 4.11Å; E73-L123 HydrophobicContact CG-CD1 4.2Å
74	K	89.4	Confident	85.3	Confident	102 Å²	102	45.5 Å²	45.5	44%	0.443	22%	0.224	S	C	.	.	H	α-helix	trans	-74.1	-43.2	178.3	-169	176	-176.9	170.9	0	112	A71 V72 H77 K78 Y119	A71-K74 HydrophobicContact CB-CB 4.4Å; A71-K74 VanDerWaalsContact O-CB 3.31Å; A71-K74 WeakPolarHBondContact O-CB 3.36Å; A71-K74 PolarHBondContact O-N 3.33Å; V72-K74 PolarHBondContact O-N 2.92Å; K74-H77 PolarHBondContact O-N 2.82Å; K74-K78 PolarHBondContact O-N 3.37Å; K74-Y119 HydrophobicContact CB-CD2 4.28Å; K74-Y119 HydrophobicContact CB-CE2 4.07Å; K74-Y119 HydrophobicContact CG-CD2 4.43Å; K74-Y119 HydrophobicContact CG-CG 4.35Å
75	N	88.9	Confident	85.5	Confident	10 Å²	10	42.3 Å²	42.3	5%	0.053	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-44.6	174.7	-69.7	-3.9	0	0	0	110.5	E65 K68 T70 A71 V72 K78 V79 I219	E65-N75 PolarHBondContact O-ND2 2.88Å; K68-N75 PolarHBondContact O-ND2 3.02Å; T70-N75 PolarHBondContact OG1-OD1 3.33Å; A71-N75 PolarHBondContact O-N 3.44Å; V72-N75 PolarHBondContact O-N 3.11Å; N75-K78 PolarHBondContact O-N 2.88Å; N75-V79 WeakPolarHBondContact O-CG2 3.45Å; N75-V79 PolarHBondContact O-N 2.74Å; N75-I219 HydrophobicContact CB-CD1 4.11Å; N75-I219 HydrophobicContact CB-CG2 4.17Å
76	L	90.3	Very high	85.7	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-47.4	175.8	-80.7	170.1	0	0	0	111.7	V72 K78 V79 L80 Y94 L110 A216 I219	V72-L76 HydrophobicContact CG1-CD1 3.89Å; V72-L76 HydrophobicContact CG1-CG 4.37Å; V72-L76 WeakPolarHBondContact O-CB 3.07Å; V72-L76 WeakPolarHBondContact O-CG 3.26Å; V72-L76 PolarHBondContact O-N 3.45Å; L76-K78 PolarHBondContact O-N 2.86Å; L76-V79 WeakPolarHBondContact O-CA 3.37Å; L76-V79 WeakPolarHBondContact O-CB 3.27Å; L76-V79 PolarHBondContact O-N 3.35Å; L76-L80 VanDerWaalsContact O-CG 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 2.95Å; L76-Y94 HydrophobicContact CD1-CD1 4.03Å; L76-Y94 HydrophobicContact CD1-CE1 3.71Å; L76-L110 HydrophobicContact CB-CD1 4.06Å; L76-A216 HydrophobicContact CD2-CB 3.81Å; L76-I219 HydrophobicContact CD2-CB 4.48Å; L76-I219 HydrophobicContact CD2-CG2 4.35Å; L76-I219 HydrophobicContact CG-CG2 4.04Å
77	H	92.6	Very high	86.1	Confident	7 Å²	7	41.1 Å²	41.1	3%	0.032	20%	0.203	C	C	.	.	H	α-helix	trans	-49.9	-47.9	177.6	175.8	-92.2	0	0	0	111.1	E73 K74 V79 L80 Q81 L110 Y119 N122	E73-H77 WeakPolarHBondContact O-CB 3.39Å; E73-H77 PolarHBondContact O-N 2.88Å; K74-H77 PolarHBondContact O-N 2.82Å; H77-V79 PolarHBondContact O-N 3.41Å; H77-L80 WeakPolarHBondContact O-CB 3.46Å; H77-L80 PolarHBondContact O-N 2.79Å; H77-L80 VanDerWaalsContact O-N 3.11Å; H77-Q81 PolarHBondContact CE1-NE2 2.91Å; H77-Q81 WeakPolarHBondContact O-CG 3.25Å; H77-Q81 PolarHBondContact O-N 3.28Å; H77-L110 HydrophobicContact CB-CD1 4.05Å; H77-L110 HydrophobicContact CB-CD2 4.39Å; H77-Y119 HydrophobicContact CB-CD2 3.79Å; H77-Y119 HydrophobicContact CB-CE2 4.46Å; H77-Y119 AromaticContact CG-CD2 3.96Å; H77-N122 PolarHBondContact NE2-OD1 3.36Å
78	K	89	Confident	86.5	Confident	47 Å²	47	35.9 Å²	35.9	20%	0.204	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-37.8	179.8	-164.7	149.7	172.1	-153.4	0	113.2	D61 E65 K74 N75 L76 L80 Q81 R82	D61-K78 WeakPolarHBondContact OD1-CE 3.42Å; D61-K78 IonicContact OD1-NZ 3.32Å; D61-K78 PolarHBondContact OD1-NZ 2.84Å; D61-K78 WeakPolarHBondContact OD2-CE 3.28Å; D61-K78 IonicContact OD2-NZ 2.89Å; E65-K78 HydrophobicContact CG-CB 4.4Å; E65-K78 HydrophobicContact CG-CD 3.83Å; E65-K78 HydrophobicContact CG-CG 4.15Å; E65-K78 IonicContact OE1-NZ 3.23Å; E65-K78 PolarHBondContact OE1-NZ 3.16Å; K74-K78 PolarHBondContact O-N 3.37Å; N75-K78 PolarHBondContact O-N 2.88Å; L76-K78 PolarHBondContact O-N 2.86Å; K78-L80 VanDerWaalsContact C-N 3.34Å; K78-L80 PolarHBondContact O-N 3.18Å; K78-Q81 PolarHBondContact O-N 3.37Å; K78-R82 WeakPolarHBondContact O-CG 3.47Å; K78-R82 PolarHBondContact O-N 2.79Å; K78-R82 VanDerWaalsContact O-N 3.13Å
79	V	90	Very high	86.9	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-43.8	170.9	178.3	0	0	0	0	111.2	L62 N75 L76 H77 R82 T83 A216 I219	L62-V79 HydrophobicContact CD2-CB 4.32Å; L62-V79 HydrophobicContact CD2-CG2 3.93Å; N75-V79 WeakPolarHBondContact O-CG2 3.45Å; N75-V79 PolarHBondContact O-N 2.74Å; L76-V79 WeakPolarHBondContact O-CA 3.37Å; L76-V79 WeakPolarHBondContact O-CB 3.27Å; L76-V79 PolarHBondContact O-N 3.35Å; H77-V79 PolarHBondContact O-N 3.41Å; V79-R82 PolarHBondContact O-N 2.89Å; V79-T83 WeakPolarHBondContact O-CB 3.46Å; V79-T83 PolarHBondContact O-N 3.37Å; V79-T83 PolarHBondContact O-OG1 3.07Å; V79-A216 HydrophobicContact CG1-CB 4.03Å; V79-I219 HydrophobicContact CG2-CD1 3.59Å
80	L	92	Very high	87.9	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-39.4	179	-59.6	-178.7	0	0	0	111.6	L76 H77 K78 T83 A84 V92 L110 V113 I190	L76-L80 VanDerWaalsContact O-CG 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 2.95Å; H77-L80 WeakPolarHBondContact O-CB 3.46Å; H77-L80 PolarHBondContact O-N 2.79Å; H77-L80 VanDerWaalsContact O-N 3.11Å; K78-L80 VanDerWaalsContact C-N 3.34Å; K78-L80 PolarHBondContact O-N 3.18Å; L80-T83 PolarHBondContact O-N 2.95Å; L80-A84 WeakPolarHBondContact O-CB 3.31Å; L80-A84 PolarHBondContact O-N 3.45Å; L80-V92 HydrophobicContact CB-CB 4.35Å; L80-V92 HydrophobicContact CB-CG1 3.91Å; L80-V92 HydrophobicContact CD1-CG1 4.27Å; L80-V92 HydrophobicContact CD2-CG1 3.68Å; L80-V92 HydrophobicContact CG-CG1 4.12Å; L80-L110 HydrophobicContact CD1-CB 4.35Å; L80-L110 HydrophobicContact CD1-CD1 3.81Å; L80-V113 HydrophobicContact CB-CB 4.42Å; L80-V113 HydrophobicContact CB-CG1 4.03Å; L80-V113 HydrophobicContact CD1-CG2 4.23Å; L80-I190 HydrophobicContact CD2-CD1 3.87Å; L80-I190 HydrophobicContact CD2-CG1 4.15Å; L80-I190 HydrophobicContact CD2-CG2 3.64Å
81	Q	90.9	Very high	88.6	Confident	22 Å²	22	24.7 Å²	24.7	10%	0.103	12%	0.122	C	C	.	.	H	α-helix	trans	-61.6	-46	175.3	-66.4	-162.7	-64	0	0	112.7	H77 K78 T83 A84 L85 V113 T114 S117	H77-Q81 PolarHBondContact CE1-NE2 2.91Å; H77-Q81 WeakPolarHBondContact O-CG 3.25Å; H77-Q81 PolarHBondContact O-N 3.28Å; K78-Q81 PolarHBondContact O-N 3.37Å; Q81-T83 VanDerWaalsContact C-N 3.32Å; Q81-A84 PolarHBondContact O-N 3Å; Q81-L85 PolarHBondContact O-N 3.37Å; Q81-V113 HydrophobicContact CG-CG1 3.68Å; Q81-T114 PolarHBondContact NE2-O 2.9Å; Q81-S117 PolarHBondContact NE2-O 3.29Å
82	R	87.3	Confident	89.2	Confident	19 Å²	19	22.2 Å²	22.2	7%	0.072	10%	0.102	C	C	.	.	H	α-helix	trans	-66.5	-37.9	178	-62.3	-57.5	179.4	-121.4	8.7	111.4	I58 D61 L62 K78 V79 L85 I86	I58-R82 HydrophobicContact CG2-CB 3.8Å; I58-R82 HydrophobicContact CG2-CG 3.99Å; D61-R82 IonicContact OD2-CZ 3.24Å; D61-R82 VanDerWaalsContact OD2-CZ 3.32Å; D61-R82 IonicContact OD2-NE 2.7Å; D61-R82 PolarHBondContact OD2-NE 2.94Å; D61-R82 IonicContact OD2-NH2 2.74Å; D61-R82 PolarHBondContact OD2-NH2 2.84Å; L62-R82 HydrophobicContact CD2-CB 4.09Å; L62-R82 HydrophobicContact CD2-CG 3.81Å; K78-R82 WeakPolarHBondContact O-CG 3.47Å; K78-R82 PolarHBondContact O-N 2.79Å; K78-R82 VanDerWaalsContact O-N 3.13Å; V79-R82 PolarHBondContact O-N 2.89Å; R82-L85 PolarHBondContact O-N 3.06Å; R82-I86 WeakPolarHBondContact O-CB 3.32Å; R82-I86 VanDerWaalsContact O-CG1 3.31Å; R82-I86 WeakPolarHBondContact O-CG1 3.35Å; R82-I86 PolarHBondContact O-N 3.32Å
83	T	88.3	Confident	89.6	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-44.4	174.7	-57.6	0	0	0	0	111.3	V79 L80 Q81 L85 I86 L87 F209 M213	V79-T83 WeakPolarHBondContact O-CB 3.46Å; V79-T83 PolarHBondContact O-N 3.37Å; V79-T83 PolarHBondContact O-OG1 3.07Å; L80-T83 PolarHBondContact O-N 2.95Å; Q81-T83 VanDerWaalsContact C-N 3.32Å; T83-L85 VanDerWaalsContact C-N 3.31Å; T83-L85 PolarHBondContact O-N 3.38Å; T83-I86 PolarHBondContact O-N 3.41Å; T83-L87 HydrophobicContact CG2-CD1 3.62Å; T83-L87 HydrophobicContact CG2-CG 4.27Å; T83-L87 WeakPolarHBondContact O-CB 3.48Å; T83-L87 WeakPolarHBondContact O-CG 3.36Å; T83-L87 PolarHBondContact O-N 3.25Å; T83-F209 HydrophobicContact CG2-CD2 3.87Å; T83-F209 HydrophobicContact CG2-CE2 4.16Å; T83-M213 HydrophobicContact CG2-CE 3.6Å; T83-M213 WeakPolarHBondContact OG1-CE 3.42Å
84	A	89.5	Confident	89.9	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.4	-42.1	176.3	0	0	0	0	0	111.7	L80 Q81 Q88 A89 V92 P115	L80-A84 WeakPolarHBondContact O-CB 3.31Å; L80-A84 PolarHBondContact O-N 3.45Å; Q81-A84 PolarHBondContact O-N 3Å; A84-Q88 WeakPolarHBondContact O-CA 3.45Å; A84-Q88 PolarHBondContact O-N 2.84Å; A84-Q88 VanDerWaalsContact O-N 3.07Å; A84-A89 PolarHBondContact O-N 3.17Å; A84-V92 HydrophobicContact CB-CG2 3.66Å; A84-P115 HydrophobicContact CB-CG 3.98Å
85	L	85.6	Confident	90.1	Very high	10 Å²	10	15.4 Å²	15.4	5%	0.052	7%	0.07	C	C	.	.	H	α-helix	trans	-64.2	-50.5	177.6	-176.7	70.4	0	0	0	111.9	I41 T44 F47 Q81 R82 T83 Q88 P115	I41-L85 HydrophobicContact CD1-CD2 3.82Å; I41-L85 HydrophobicContact CG1-CD2 4.34Å; I41-L85 HydrophobicContact CG2-CD1 4.34Å; T44-L85 HydrophobicContact CG2-CD1 4.35Å; F47-L85 HydrophobicContact CD1-CD2 4.45Å; F47-L85 HydrophobicContact CD2-CD1 4.33Å; F47-L85 HydrophobicContact CE1-CD2 4.28Å; F47-L85 HydrophobicContact CG-CD1 4.34Å; F47-L85 HydrophobicContact CZ-CD2 4.32Å; Q81-L85 PolarHBondContact O-N 3.37Å; R82-L85 PolarHBondContact O-N 3.06Å; T83-L85 VanDerWaalsContact C-N 3.31Å; T83-L85 PolarHBondContact O-N 3.38Å; L85-Q88 PolarHBondContact O-N 3.21Å; L85-P115 HydrophobicContact CB-CB 4.25Å; L85-P115 HydrophobicContact CB-CG 4.48Å; L85-P115 HydrophobicContact CD1-CB 4.22Å
86	I	84.3	Confident	90.2	Very high	15 Å²	15	17.7 Å²	17.7	8%	0.077	8%	0.081	C	C	.	.	H	α-helix	trans	-66	-42.2	-176.1	-71.3	166.8	0	0	0	111.3	I58 R82 T83 Q88 L208 Y212	I58-I86 HydrophobicContact CD1-CD1 3.91Å; I58-I86 HydrophobicContact CD1-CG1 3.9Å; I58-I86 HydrophobicContact CG2-CD1 3.84Å; R82-I86 WeakPolarHBondContact O-CB 3.32Å; R82-I86 VanDerWaalsContact O-CG1 3.31Å; R82-I86 WeakPolarHBondContact O-CG1 3.35Å; R82-I86 PolarHBondContact O-N 3.32Å; T83-I86 PolarHBondContact O-N 3.41Å; I86-Q88 VanDerWaalsContact C-N 3.25Å; I86-Q88 PolarHBondContact O-N 3.34Å; I86-L208 HydrophobicContact CG2-CD1 4.32Å; I86-L208 HydrophobicContact CG2-CD2 3.31Å; I86-L208 HydrophobicContact CG2-CG 3.74Å; I86-Y212 HydrophobicContact CD1-CD1 4.21Å; I86-Y212 HydrophobicContact CD1-CD2 4.18Å; I86-Y212 HydrophobicContact CD1-CE1 3.68Å; I86-Y212 HydrophobicContact CD1-CE2 3.66Å; I86-Y212 HydrophobicContact CD1-CG 4.44Å; I86-Y212 HydrophobicContact CG2-CE2 4.21Å
87	L	86.4	Confident	90.2	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3	179.3	-64.4	177.7	0	0	0	113	T83 A89 M176 K195 D205 L208 F209	T83-L87 HydrophobicContact CG2-CD1 3.62Å; T83-L87 HydrophobicContact CG2-CG 4.27Å; T83-L87 WeakPolarHBondContact O-CB 3.48Å; T83-L87 WeakPolarHBondContact O-CG 3.36Å; T83-L87 PolarHBondContact O-N 3.25Å; L87-A89 HydrophobicContact CB-CB 4.4Å; L87-A89 PolarHBondContact O-N 3.12Å; L87-M176 HydrophobicContact CD1-CE 3.96Å; L87-K195 WeakPolarHBondContact O-CD 3.27Å; L87-K195 VanDerWaalsContact O-CE 3.26Å; L87-K195 WeakPolarHBondContact O-CE 3.44Å; L87-K195 PolarHBondContact O-NZ 2.69Å; L87-D205 HydrophobicContact CD2-CB 4.16Å; L87-D205 WeakPolarHBondContact CD2-O 3.38Å; L87-L208 HydrophobicContact CD2-CB 4.11Å; L87-L208 HydrophobicContact CD2-CD2 4.22Å; L87-L208 HydrophobicContact CD2-CG 4.28Å; L87-F209 HydrophobicContact CD1-CB 3.78Å; L87-F209 HydrophobicContact CD1-CD2 3.63Å; L87-F209 HydrophobicContact CD1-CG 3.98Å; L87-F209 HydrophobicContact CD2-CB 4.28Å
88	Q	86.8	Confident	89.9	Confident	58 Å²	58	21.1 Å²	21.1	27%	0.271	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	46.2	-171	-61.7	172.5	-8.6	0	0	111.2	F47 A84 L85 I86 K195 I196	F47-Q88 PolarHBondContact O-NE2 3.22Å; A84-Q88 WeakPolarHBondContact O-CA 3.45Å; A84-Q88 PolarHBondContact O-N 2.84Å; A84-Q88 VanDerWaalsContact O-N 3.07Å; L85-Q88 PolarHBondContact O-N 3.21Å; I86-Q88 VanDerWaalsContact C-N 3.25Å; I86-Q88 PolarHBondContact O-N 3.34Å; Q88-K195 HydrophobicContact CB-CD 4.46Å; Q88-I196 HydrophobicContact CB-CB 4.44Å; Q88-I196 VanDerWaalsContact O-CB 3.3Å; Q88-I196 WeakPolarHBondContact O-CB 3.49Å; Q88-I196 WeakPolarHBondContact O-CG1 3.45Å; Q88-I196 PolarHBondContact O-N 3.36Å
89	A	89.3	Confident	89.4	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	146.5	178.6	0	0	0	0	0	110.8	A84 L87 V192 F201	A84-A89 PolarHBondContact O-N 3.17Å; L87-A89 HydrophobicContact CB-CB 4.4Å; L87-A89 PolarHBondContact O-N 3.12Å; A89-V192 HydrophobicContact CB-CG1 3.26Å; A89-F201 HydrophobicContact CB-CE1 4.22Å; A89-F201 HydrophobicContact CB-CZ 4.22Å
90	D	91	Very high	88.6	Confident	47 Å²	47	25.2 Å²	25.2	25%	0.251	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-46.1	-179.7	-169.9	30.1	0	0	0	111.5	Y170 L193 N194 I196	D90-Y170 WeakPolarHBondContact OD2-CE2 3.14Å; D90-Y170 PolarHBondContact OD2-OH 2.85Å; D90-L193 PolarHBondContact N-O 2.97Å; D90-N194 HydrophobicContact CB-CB 4.03Å; D90-N194 PolarHBondContact N-O 2.74Å; D90-I196 HydrophobicContact CB-CG1 4.2Å
91	R	91.9	Very high	87.5	Confident	64 Å²	64	29.5 Å²	29.5	24%	0.242	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.2	-178.9	-62.2	-67.2	179.3	-78.6	-10.4	112	Y170 L193	R91-Y170 HydrophobicContact CG-CE2 4.49Å; R91-L193 HydrophobicContact CB-CB 4.28Å; R91-L193 HydrophobicContact CB-CD1 4.39Å; R91-L193 PolarHBondContact N-O 3.38Å; R91-L193 PolarHBondContact O-N 2.68Å
92	V	94.2	Very high	86.8	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.4	171.7	-173.2	0	0	0	0	109.2	L80 A84 V113 I190 M191 V192	L80-V92 HydrophobicContact CB-CB 4.35Å; L80-V92 HydrophobicContact CB-CG1 3.91Å; L80-V92 HydrophobicContact CD1-CG1 4.27Å; L80-V92 HydrophobicContact CD2-CG1 3.68Å; L80-V92 HydrophobicContact CG-CG1 4.12Å; A84-V92 HydrophobicContact CB-CG2 3.66Å; V92-V113 HydrophobicContact CB-CB 4.45Å; V92-V113 PolarHBondContact N-O 3.26Å; V92-V113 VanDerWaalsContact O-CB 3.32Å; V92-V113 WeakPolarHBondContact O-CB 3.34Å; V92-V113 PolarHBondContact O-N 3.29Å; V92-I190 HydrophobicContact CG1-CG2 4Å; V92-M191 CarbonylContact C-O 3.53Å; V92-M191 WeakPolarHBondContact CA-O 3.47Å; V92-V192 HydrophobicContact CG1-CG2 4.13Å; V92-V192 HydrophobicContact CG2-CG1 4.23Å; V92-V192 HydrophobicContact CG2-CG2 4.13Å
93	S	94.6	Very high	86.6	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.4	-179.9	-58.2	0	0	0	0	111.1	L110 D112 I190 M191	S93-L110 CarbonylContact C-O 3.55Å; S93-L110 WeakPolarHBondContact CA-O 3.44Å; S93-L110 WeakPolarHBondContact CB-O 3.29Å; S93-D112 PolarHBondContact OG-N 3.28Å; S93-I190 WeakPolarHBondContact O-CA 3.32Å; S93-M191 PolarHBondContact N-O 2.98Å; S93-M191 PolarHBondContact O-N 3.22Å
94	Y	94.9	Very high	86.4	Confident	15 Å²	15	38.2 Å²	38.2	6%	0.059	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.2	178.2	173.8	-118.7	0	0	0	110.8	L76 C109 L110 M180 I190	L76-Y94 HydrophobicContact CD1-CD1 4.03Å; L76-Y94 HydrophobicContact CD1-CE1 3.71Å; Y94-C109 HydrophobicContact CD1-CB 3.8Å; Y94-C109 HydrophobicContact CE1-CB 4.15Å; Y94-C109 PolarHBondContact O-N 3.17Å; Y94-L110 PolarHBondContact N-O 2.82Å; Y94-L110 PolarHBondContact O-N 3.36Å; Y94-M180 HydrophobicContact CE2-CG 4.24Å; Y94-I190 HydrophobicContact CD2-CD1 4.48Å; Y94-I190 HydrophobicContact CD2-CG1 3.64Å; Y94-I190 HydrophobicContact CE2-CG1 4.36Å; Y94-I190 HydrophobicContact CG-CG1 4.49Å
95	Y	94.1	Very high	86.4	Confident	3 Å²	3	39.5 Å²	39.5	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.4	177.9	-61.5	-101.5	0	0	0	108.6	A107 T108 I132 V139 G188 V189 M191	Y95-A107 CarbonylContact C-O 3.56Å; Y95-A107 VanDerWaalsContact CA-O 3.24Å; Y95-A107 WeakPolarHBondContact CA-O 3.41Å; Y95-T108 HydrophobicContact CD1-CG2 3.71Å; Y95-T108 HydrophobicContact CE1-CG2 3.27Å; Y95-I132 HydrophobicContact CD1-CD1 4.21Å; Y95-I132 HydrophobicContact CE1-CD1 3.64Å; Y95-V139 HydrophobicContact CD1-CG1 4.32Å; Y95-V139 HydrophobicContact CD2-CG1 3.91Å; Y95-V139 HydrophobicContact CD2-CG2 4.38Å; Y95-V139 HydrophobicContact CE2-CG1 4.49Å; Y95-V139 HydrophobicContact CE2-CG2 4.18Å; Y95-V139 HydrophobicContact CG-CG1 3.84Å; Y95-G188 CarbonylContact O-C 3.56Å; Y95-G188 WeakPolarHBondContact O-CA 3.39Å; Y95-V189 PolarHBondContact N-O 2.88Å; Y95-V189 PolarHBondContact O-N 3.46Å; Y95-M191 HydrophobicContact CE2-CB 4.2Å; Y95-M191 HydrophobicContact CE2-CE 3.89Å; Y95-M191 WeakPolarHBondContact OH-CE 3.41Å
96	I	91.6	Very high	86.6	Confident	58 Å²	58	39 Å²	39	30%	0.297	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	140.6	173.5	-169	167.6	0	0	0	109.6	L106 A107 C109	I96-L106 CarbonylContact O-C 3.58Å; I96-L106 VanDerWaalsContact O-CA 3.31Å; I96-L106 WeakPolarHBondContact O-CA 3.36Å; I96-A107 HydrophobicContact CG2-CB 4.06Å; I96-A107 PolarHBondContact N-O 3.49Å; I96-A107 PolarHBondContact O-N 3.19Å; I96-C109 HydrophobicContact CG2-CB 4.48Å
97	C	90	Very high	86.9	Confident	34 Å²	34	38.3 Å²	38.3	23%	0.23	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.9	173.4	-169.3	0	0	0	0	109.3	L106 C186 L187	C97-L106 HydrophobicContact CB-CD2 4.08Å; C97-C186 WeakPolarHBondContact CB-O 3.35Å; C97-C186 PolarHBondContact SG-O 3.12Å; C97-C186 VanDerWaalsContact SG-O 3.37Å; C97-L187 WeakPolarHBondContact CB-O 3.42Å; C97-L187 PolarHBondContact N-O 3.44Å
98	R	85.8	Confident	87.2	Confident	47 Å²	47	38.5 Å²	38.5	18%	0.177	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	168.1	173	68.1	-178.6	-172.1	-155.7	-2.3	110.2	P104 E105 E129	R98-P104 CarbonylContact O-C 3.5Å; R98-P104 WeakPolarHBondContact O-CA 3.21Å; R98-E105 HydrophobicContact CG-CG 3.76Å; R98-E105 IonicContact CZ-OE1 3.97Å; R98-E105 VanDerWaalsContact CZ-OE1 3.24Å; R98-E105 PolarHBondContact N-O 3.42Å; R98-E105 IonicContact NE-OE1 3.37Å; R98-E105 PolarHBondContact NE-OE1 3.36Å; R98-E105 IonicContact NH2-OE1 3.67Å; R98-E105 PolarHBondContact NH2-OE1 2.93Å; R98-E105 PolarHBondContact O-N 3.43Å; R98-E105 VanDerWaalsContact O-O 3.04Å; R98-E129 IonicContact CZ-OE1 2.76Å; R98-E129 IonicContact NH1-OE1 3.44Å; R98-E129 PolarHBondContact NH1-OE1 2.75Å; R98-E129 IonicContact NH1-OE2 3.92Å; R98-E129 PolarHBondContact NH1-OE2 3.28Å; R98-E129 IonicContact NH2-OE1 3.81Å; R98-E129 PolarHBondContact NH2-OE1 2.85Å
99	S	80.3	Confident	87.4	Confident	27 Å²	27	36.7 Å²	36.7	19%	0.189	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.7	-178.4	172.1	0	0	0	0	109.6	G102 I103 E412	S99-G102 WeakPolarHBondContact OG-CA 3.32Å; S99-I103 WeakPolarHBondContact CA-O 3.5Å; S99-E412 WeakPolarHBondContact CB-OE2 3.32Å; S99-E412 PolarHBondContact OG-OE2 2.95Å
100	R	71.6	Confident	87.6	Confident	108 Å²	108	36.7 Å²	36.7	41%	0.408	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.1	175.2	-178.3	-177.9	67.9	154.3	-0.7	109	G102 I103	R100-G102 PolarHBondContact O-N 3.43Å; R100-G102 VanDerWaalsContact O-N 3.11Å; R100-I103 PolarHBondContact N-O 2.84Å; R100-I103 PolarHBondContact O-N 2.81Å
101	N	70	Confident	87.7	Confident	90 Å²	90	36 Å²	36	48%	0.481	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	36.3	-176.3	-55	-20.7	0	0	0	112.5
102	G	75.3	Confident	87.6	Confident	53 Å²	53	35.8 Å²	35.8	55%	0.546	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	1.1	-177	0	0	0	0	0	116.4	S99 R100	S99-G102 WeakPolarHBondContact OG-CA 3.32Å; R100-G102 PolarHBondContact O-N 3.43Å; R100-G102 VanDerWaalsContact O-N 3.11Å
103	I	82.6	Confident	87.6	Confident	114 Å²	114	35.8 Å²	35.8	59%	0.585	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.5	176.8	-55.8	176.2	0	0	0	109.7	S99 R100	S99-I103 WeakPolarHBondContact CA-O 3.5Å; R100-I103 PolarHBondContact N-O 2.84Å; R100-I103 PolarHBondContact O-N 2.81Å
104	P	85.2	Confident	87.4	Confident	58 Å²	58	36.8 Å²	36.8	38%	0.377	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	137.3	-179.6	30.7	-33.9	0	0	0	112.8	R98 T134	R98-P104 CarbonylContact O-C 3.5Å; R98-P104 WeakPolarHBondContact O-CA 3.21Å; P104-T134 HydrophobicContact CB-CG2 4.05Å; P104-T134 HydrophobicContact CG-CG2 4.15Å; P104-T134 WeakPolarHBondContact O-CG2 3.1Å; P104-T134 PolarHBondContact O-OG1 2.92Å
105	E	88.8	Confident	87	Confident	27 Å²	27	37 Å²	37	13%	0.126	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.3	178.5	63.7	178.1	-146.2	0	0	111.6	R98 V131	R98-E105 HydrophobicContact CG-CG 3.76Å; R98-E105 IonicContact CZ-OE1 3.97Å; R98-E105 VanDerWaalsContact CZ-OE1 3.24Å; R98-E105 PolarHBondContact N-O 3.42Å; R98-E105 IonicContact NE-OE1 3.37Å; R98-E105 PolarHBondContact NE-OE1 3.36Å; R98-E105 IonicContact NH2-OE1 3.67Å; R98-E105 PolarHBondContact NH2-OE1 2.93Å; R98-E105 PolarHBondContact O-N 3.43Å; R98-E105 VanDerWaalsContact O-O 3.04Å; E105-V131 HydrophobicContact CB-CG1 3.89Å; E105-V131 HydrophobicContact CG-CG1 4.06Å
106	L	90.7	Very high	86.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.7	-179.5	-70.8	152.5	0	0	0	110	I96 C97 V131 I132 T134 V139 A143 V189	I96-L106 CarbonylContact O-C 3.58Å; I96-L106 VanDerWaalsContact O-CA 3.31Å; I96-L106 WeakPolarHBondContact O-CA 3.36Å; C97-L106 HydrophobicContact CB-CD2 4.08Å; L106-V131 CarbonylContact O-C 3.4Å; L106-V131 WeakPolarHBondContact O-CA 3.49Å; L106-I132 HydrophobicContact CB-CB 4.42Å; L106-I132 PolarHBondContact N-O 3.05Å; L106-I132 PolarHBondContact O-N 3.48Å; L106-T134 HydrophobicContact CD1-CG2 4.38Å; L106-V139 HydrophobicContact CD1-CB 4.42Å; L106-V139 HydrophobicContact CD1-CG1 3.84Å; L106-A143 HydrophobicContact CD1-CB 3.93Å; L106-A143 HydrophobicContact CD2-CB 4.33Å; L106-V189 HydrophobicContact CD2-CG2 4.08Å
107	A	90.6	Very high	86.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	140.3	179.1	0	0	0	0	0	111.3	Y95 I96 C109 V131	Y95-A107 CarbonylContact C-O 3.56Å; Y95-A107 VanDerWaalsContact CA-O 3.24Å; Y95-A107 WeakPolarHBondContact CA-O 3.41Å; I96-A107 HydrophobicContact CG2-CB 4.06Å; I96-A107 PolarHBondContact N-O 3.49Å; I96-A107 PolarHBondContact O-N 3.19Å; A107-C109 PolarHBondContact O-N 3.32Å; A107-V131 HydrophobicContact CB-CG2 4.47Å
108	T	92.1	Very high	86.6	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	123.6	175.3	49.4	0	0	0	0	111.6	Y95 F111 I130	Y95-T108 HydrophobicContact CD1-CG2 3.71Å; Y95-T108 HydrophobicContact CE1-CG2 3.27Å; T108-F111 HydrophobicContact CG2-CD2 3.82Å; T108-F111 HydrophobicContact CG2-CE2 4.29Å; T108-I130 HydrophobicContact CG2-CB 3.76Å; T108-I130 HydrophobicContact CG2-CG1 4.46Å; T108-I130 PolarHBondContact N-O 3.12Å; T108-I130 PolarHBondContact OG1-N 3.26Å
109	C	90.9	Very high	86.7	Confident	20 Å²	20	45.3 Å²	45.3	14%	0.135	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-46.1	175.5	178.9	0	0	0	0	111.8	E73 Y94 I96 A107 V124	E73-C109 VanDerWaalsContact CG-SG 3.55Å; Y94-C109 HydrophobicContact CD1-CB 3.8Å; Y94-C109 HydrophobicContact CE1-CB 4.15Å; Y94-C109 PolarHBondContact O-N 3.17Å; I96-C109 HydrophobicContact CG2-CB 4.48Å; A107-C109 PolarHBondContact O-N 3.32Å; C109-V124 PolarHBondContact O-N 3.46Å; C109-V124 VanDerWaalsContact O-N 3.12Å
110	L	93.3	Very high	87.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.9	172.2	-61	167.8	0	0	0	109	E73 L76 H77 L80 S93 Y94 V113 Y119 N122 L123	E73-L110 HydrophobicContact CB-CD2 4.44Å; L76-L110 HydrophobicContact CB-CD1 4.06Å; H77-L110 HydrophobicContact CB-CD1 4.05Å; H77-L110 HydrophobicContact CB-CD2 4.39Å; L80-L110 HydrophobicContact CD1-CB 4.35Å; L80-L110 HydrophobicContact CD1-CD1 3.81Å; S93-L110 CarbonylContact C-O 3.55Å; S93-L110 WeakPolarHBondContact CA-O 3.44Å; S93-L110 WeakPolarHBondContact CB-O 3.29Å; Y94-L110 PolarHBondContact N-O 2.82Å; Y94-L110 PolarHBondContact O-N 3.36Å; L110-V113 HydrophobicContact CB-CG2 4.17Å; L110-Y119 HydrophobicContact CD2-CD2 4.44Å; L110-Y119 HydrophobicContact CD2-CE2 4.14Å; L110-N122 WeakPolarHBondContact CA-O 3.43Å; L110-L123 HydrophobicContact CD2-CD1 4.3Å
111	F	93.2	Very high	88	Confident	33 Å²	33	49.3 Å²	49.3	15%	0.145	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145	-175.9	-160	-99	0	0	0	111.1	T108 V113 N122 V124 I130 V164 T168	T108-F111 HydrophobicContact CG2-CD2 3.82Å; T108-F111 HydrophobicContact CG2-CE2 4.29Å; F111-V113 PolarHBondContact O-N 3.43Å; F111-N122 PolarHBondContact N-O 3.02Å; F111-N122 WeakPolarHBondContact O-CB 3.48Å; F111-N122 PolarHBondContact O-ND2 2.95Å; F111-V124 HydrophobicContact CB-CG2 3.66Å; F111-I130 HydrophobicContact CE2-CD1 4.37Å; F111-I130 HydrophobicContact CZ-CD1 4.42Å; F111-V164 HydrophobicContact CE2-CG1 4.18Å; F111-V164 HydrophobicContact CZ-CG1 3.68Å; F111-T168 HydrophobicContact CE1-CG2 4.12Å; F111-T168 HydrophobicContact CZ-CG2 4.33Å
112	D	91.1	Very high	89.1	Confident	58 Å²	58	45.6 Å²	45.6	31%	0.31	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.5	40.2	178.8	-74.4	-30.7	0	0	0	116.5	S93 T114 N122	S93-D112 PolarHBondContact OG-N 3.28Å; D112-T114 PolarHBondContact O-N 3.38Å; D112-N122 PolarHBondContact O-ND2 3.44Å
113	V	93.4	Very high	89.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	128.1	177	-174.8	0	0	0	0	110.2	L80 Q81 V92 L110 F111 N122	L80-V113 HydrophobicContact CB-CB 4.42Å; L80-V113 HydrophobicContact CB-CG1 4.03Å; L80-V113 HydrophobicContact CD1-CG2 4.23Å; Q81-V113 HydrophobicContact CG-CG1 3.68Å; V92-V113 HydrophobicContact CB-CB 4.45Å; V92-V113 PolarHBondContact N-O 3.26Å; V92-V113 VanDerWaalsContact O-CB 3.32Å; V92-V113 WeakPolarHBondContact O-CB 3.34Å; V92-V113 PolarHBondContact O-N 3.29Å; L110-V113 HydrophobicContact CB-CG2 4.17Å; F111-V113 PolarHBondContact O-N 3.43Å; V113-N122 HydrophobicContact CG2-CB 3.98Å
114	T	90.4	Very high	90.2	Very high	23 Å²	23	42.6 Å²	42.6	14%	0.141	24%	0.235	C	C	.	.			trans	-118	167.4	174.7	75.1	0	0	0	0	110.2	Q81 D112 T116 S117	Q81-T114 PolarHBondContact NE2-O 2.9Å; D112-T114 PolarHBondContact O-N 3.38Å; T114-T116 PolarHBondContact O-N 3.45Å; T114-S117 PolarHBondContact N-OG 3.4Å; T114-S117 PolarHBondContact O-N 3.01Å; T114-S117 PolarHBondContact O-OG 3.06Å; T114-S117 VanDerWaalsContact OG1-CB 3.31Å; T114-S117 WeakPolarHBondContact OG1-CB 3.29Å; T114-S117 PolarHBondContact OG1-N 3.19Å; T114-S117 VanDerWaalsContact OG1-N 3.14Å
115	P	85.7	Confident	90.1	Very high	20 Å²	20	43.9 Å²	43.9	13%	0.13	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.9	178.4	-28.1	36.7	0	0	0	115.4	T44 A84 L85	T44-P115 HydrophobicContact CG2-CB 4.35Å; A84-P115 HydrophobicContact CB-CG 3.98Å; L85-P115 HydrophobicContact CB-CB 4.25Å; L85-P115 HydrophobicContact CB-CG 4.48Å; L85-P115 HydrophobicContact CD1-CB 4.22Å
116	T	85.6	Confident	89.6	Confident	95 Å²	95	44.6 Å²	44.6	58%	0.583	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.6	0.2	-174.7	57.2	0	0	0	0	114.1	T114	T114-T116 PolarHBondContact O-N 3.45Å
117	S	90.1	Very high	88.8	Confident	24 Å²	24	51.3 Å²	51.3	17%	0.168	28%	0.277	C	S	.	.			trans	-67	155.5	-177	61.7	0	0	0	0	113	Q81 T114 N122	Q81-S117 PolarHBondContact NE2-O 3.29Å; T114-S117 PolarHBondContact N-OG 3.4Å; T114-S117 PolarHBondContact O-N 3.01Å; T114-S117 PolarHBondContact O-OG 3.06Å; T114-S117 VanDerWaalsContact OG1-CB 3.31Å; T114-S117 WeakPolarHBondContact OG1-CB 3.29Å; T114-S117 PolarHBondContact OG1-N 3.19Å; T114-S117 VanDerWaalsContact OG1-N 3.14Å; S117-N122 WeakPolarHBondContact CB-OD1 3.4Å; S117-N122 PolarHBondContact OG-OD1 2.94Å
118	K	91.1	Very high	88.4	Confident	158 Å²	158	55.2 Å²	55.2	69%	0.687	30%	0.304	S	S	*	.			trans	-91.3	147.1	175.9	-65.9	-175.3	-179.3	179.9	0	110.3	E120 A121 N122	K118-E120 VanDerWaalsContact C-N 3.31Å; K118-E120 PolarHBondContact O-N 3.44Å; K118-A121 PolarHBondContact O-N 2.95Å; K118-N122 PolarHBondContact O-N 2.71Å; K118-N122 PolarHBondContact O-OD1 3.42Å
119	Y	88.8	Confident	88.1	Confident	39 Å²	39	57.2 Å²	57.2	15%	0.153	31%	0.313	C	S	.	.	H	α-helix	trans	-55.4	-45.8	179.3	169.5	-107.6	0	0	0	112.2	E73 K74 H77 L110 A121 N122 L123	E73-Y119 HydrophobicContact CB-CE2 3.83Å; E73-Y119 WeakPolarHBondContact CB-OH 3.38Å; K74-Y119 HydrophobicContact CB-CD2 4.28Å; K74-Y119 HydrophobicContact CB-CE2 4.07Å; K74-Y119 HydrophobicContact CG-CD2 4.43Å; K74-Y119 HydrophobicContact CG-CG 4.35Å; H77-Y119 HydrophobicContact CB-CD2 3.79Å; H77-Y119 HydrophobicContact CB-CE2 4.46Å; H77-Y119 AromaticContact CG-CD2 3.96Å; L110-Y119 HydrophobicContact CD2-CD2 4.44Å; L110-Y119 HydrophobicContact CD2-CE2 4.14Å; Y119-A121 PolarHBondContact O-N 2.8Å; Y119-A121 VanDerWaalsContact O-N 3.17Å; Y119-N122 PolarHBondContact O-N 3.1Å; Y119-L123 HydrophobicContact CE1-CD2 4.19Å; Y119-L123 HydrophobicContact CE2-CB 4.43Å; Y119-L123 HydrophobicContact CE2-CD1 4.27Å; Y119-L123 PolarHBondContact O-N 2.93Å
120	E	89.9	Confident	87.9	Confident	136 Å²	136	57.4 Å²	57.4	64%	0.636	31%	0.313	S	S	*	.	H	α-helix	trans	-64	-25	-175.7	-59.9	74.9	-161	0	0	113	K118	K118-E120 VanDerWaalsContact C-N 3.31Å; K118-E120 PolarHBondContact O-N 3.44Å
121	A	89.8	Confident	87.6	Confident	83 Å²	83	60 Å²	60	69%	0.686	33%	0.329	S	S	*	.	H	α-helix	trans	-85.4	-21.1	178	0	0	0	0	0	113	K118 Y119	K118-A121 PolarHBondContact O-N 2.95Å; Y119-A121 PolarHBondContact O-N 2.8Å; Y119-A121 VanDerWaalsContact O-N 3.17Å
122	N	92.4	Very high	87.3	Confident	11 Å²	11	58.9 Å²	58.9	6%	0.059	32%	0.324	C	S	.	.	H	α-helix	trans	-101.8	-14.5	-177.7	-67.3	130.9	0	0	0	113.9	H77 L110 F111 D112 V113 S117 K118 Y119 V124	H77-N122 PolarHBondContact NE2-OD1 3.36Å; L110-N122 WeakPolarHBondContact CA-O 3.43Å; F111-N122 PolarHBondContact N-O 3.02Å; F111-N122 WeakPolarHBondContact O-CB 3.48Å; F111-N122 PolarHBondContact O-ND2 2.95Å; D112-N122 PolarHBondContact O-ND2 3.44Å; V113-N122 HydrophobicContact CG2-CB 3.98Å; S117-N122 WeakPolarHBondContact CB-OD1 3.4Å; S117-N122 PolarHBondContact OG-OD1 2.94Å; K118-N122 PolarHBondContact O-N 2.71Å; K118-N122 PolarHBondContact O-OD1 3.42Å; Y119-N122 PolarHBondContact O-N 3.1Å; N122-V124 PolarHBondContact O-N 2.9Å
123	L	91.5	Very high	87.2	Confident	74 Å²	74	58.9 Å²	58.9	39%	0.387	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-70.8	125.1	174.8	-176.1	67.5	0	0	0	109.9	E73 L110 Y119	E73-L123 HydrophobicContact CB-CD1 4.11Å; E73-L123 HydrophobicContact CG-CD1 4.2Å; L110-L123 HydrophobicContact CD2-CD1 4.3Å; Y119-L123 HydrophobicContact CE1-CD2 4.19Å; Y119-L123 HydrophobicContact CE2-CB 4.43Å; Y119-L123 HydrophobicContact CE2-CD1 4.27Å; Y119-L123 PolarHBondContact O-N 2.93Å
124	V	88.8	Confident	86.9	Confident	30 Å²	30	60.2 Å²	60.2	18%	0.182	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-88	132.8	-179.1	-176.4	0	0	0	0	110.4	C109 F111 N122 E129	C109-V124 PolarHBondContact O-N 3.46Å; C109-V124 VanDerWaalsContact O-N 3.12Å; F111-V124 HydrophobicContact CB-CG2 3.66Å; N122-V124 PolarHBondContact O-N 2.9Å; V124-E129 HydrophobicContact CG1-CB 4.07Å
125	N	83.6	Confident	86.7	Confident	86 Å²	86	66.2 Å²	66.2	46%	0.46	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-73.7	133.2	171.2	-176.2	-34	0	0	0	109.4	Q127 S128 E129	N125-Q127 PolarHBondContact O-N 2.98Å; N125-Q127 PolarHBondContact OD1-N 3.04Å; N125-S128 CarbonylContact O-C 3.59Å; N125-S128 PolarHBondContact O-N 3.16Å; N125-S128 PolarHBondContact O-OG 2.92Å; N125-E129 PolarHBondContact O-N 2.7Å
126	P	78.5	Confident	86.7	Confident	42 Å²	42	69 Å²	69	27%	0.273	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-51.8	-28	177	-29	35.1	0	0	0	115.2	S128 E129 K408	P126-S128 VanDerWaalsContact C-N 3.29Å; P126-S128 PolarHBondContact O-N 3.48Å; P126-E129 WeakPolarHBondContact O-CG 3.38Å; P126-K408 HydrophobicContact CG-CG 4.22Å
127	Q	74.3	Confident	86.9	Confident	140 Å²	140	65.1 Å²	65.1	65%	0.654	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-75.1	-17.1	177.6	-65.7	-174.4	-21.3	0	0	114.1	N125	N125-Q127 PolarHBondContact O-N 2.98Å; N125-Q127 PolarHBondContact OD1-N 3.04Å
128	S	81.1	Confident	86.9	Confident	82 Å²	82	64.6 Å²	64.6	57%	0.573	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-122.1	20.7	-177.5	63.6	0	0	0	0	112	N125 P126	N125-S128 CarbonylContact O-C 3.59Å; N125-S128 PolarHBondContact O-N 3.16Å; N125-S128 PolarHBondContact O-OG 2.92Å; P126-S128 VanDerWaalsContact C-N 3.29Å; P126-S128 PolarHBondContact O-N 3.48Å
129	E	85.8	Confident	86.8	Confident	47 Å²	47	57.4 Å²	57.4	22%	0.22	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-74.4	148.1	-179.3	72.4	-172.8	177.5	0	0	111.7	R98 V124 N125 P126 V131	R98-E129 IonicContact CZ-OE1 2.76Å; R98-E129 IonicContact NH1-OE1 3.44Å; R98-E129 PolarHBondContact NH1-OE1 2.75Å; R98-E129 IonicContact NH1-OE2 3.92Å; R98-E129 PolarHBondContact NH1-OE2 3.28Å; R98-E129 IonicContact NH2-OE1 3.81Å; R98-E129 PolarHBondContact NH2-OE1 2.85Å; V124-E129 HydrophobicContact CG1-CB 4.07Å; N125-E129 PolarHBondContact O-N 2.7Å; P126-E129 WeakPolarHBondContact O-CG 3.38Å; E129-V131 HydrophobicContact CG-CG2 3.98Å
130	I	87.3	Confident	86.9	Confident	25 Å²	25	55.5 Å²	55.5	13%	0.128	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-94.1	120.1	171.5	-58.3	172.9	0	0	0	107.2	T108 F111 I132 F163 V164	T108-I130 HydrophobicContact CG2-CB 3.76Å; T108-I130 HydrophobicContact CG2-CG1 4.46Å; T108-I130 PolarHBondContact N-O 3.12Å; T108-I130 PolarHBondContact OG1-N 3.26Å; F111-I130 HydrophobicContact CE2-CD1 4.37Å; F111-I130 HydrophobicContact CZ-CD1 4.42Å; I130-I132 HydrophobicContact CG2-CG1 4.24Å; I130-F163 HydrophobicContact CG2-CE2 3.61Å; I130-F163 HydrophobicContact CG2-CZ 3.39Å; I130-V164 HydrophobicContact CD1-CG1 4.19Å; I130-V164 HydrophobicContact CG2-CG2 4.33Å
131	V	87	Confident	86.9	Confident	55 Å²	55	51.8 Å²	51.8	33%	0.333	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.3	177.4	-175	0	0	0	0	109.6	E105 L106 A107 E129	E105-V131 HydrophobicContact CB-CG1 3.89Å; E105-V131 HydrophobicContact CG-CG1 4.06Å; L106-V131 CarbonylContact O-C 3.4Å; L106-V131 WeakPolarHBondContact O-CA 3.49Å; A107-V131 HydrophobicContact CB-CG2 4.47Å; E129-V131 HydrophobicContact CG-CG2 3.98Å
132	I	87.8	Confident	87.1	Confident	9 Å²	9	47.8 Å²	47.8	5%	0.046	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122	-178.7	-55.5	179.6	0	0	0	108.7	Y95 L106 I130 M136 F163	Y95-I132 HydrophobicContact CD1-CD1 4.21Å; Y95-I132 HydrophobicContact CE1-CD1 3.64Å; L106-I132 HydrophobicContact CB-CB 4.42Å; L106-I132 PolarHBondContact N-O 3.05Å; L106-I132 PolarHBondContact O-N 3.48Å; I130-I132 HydrophobicContact CG2-CG1 4.24Å; I132-M136 HydrophobicContact CG2-CB 4.49Å; I132-M136 WeakPolarHBondContact CG2-O 3.48Å; I132-F163 HydrophobicContact CD1-CE1 4.41Å; I132-F163 HydrophobicContact CD1-CZ 4.47Å; I132-F163 HydrophobicContact CG1-CE1 4.25Å; I132-F163 HydrophobicContact CG1-CZ 4.12Å
133	P	88.2	Confident	87.1	Confident	58 Å²	58	47.6 Å²	47.6	38%	0.377	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	147.7	169.9	-26.3	36.8	0	0	0	112.5	D135 M136	P133-D135 WeakPolarHBondContact CB-OD1 3.25Å; P133-D135 PolarHBondContact O-N 2.82Å; P133-M136 HydrophobicContact CB-CB 4.26Å; P133-M136 PolarHBondContact O-N 3.35Å; P133-M136 VanDerWaalsContact O-N 3.09Å
134	T	86.9	Confident	87.1	Confident	28 Å²	28	48.3 Å²	48.3	17%	0.172	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.1	-177.5	44	0	0	0	0	114.3	P104 L106 M136 G140 T144	P104-T134 HydrophobicContact CB-CG2 4.05Å; P104-T134 HydrophobicContact CG-CG2 4.15Å; P104-T134 WeakPolarHBondContact O-CG2 3.1Å; P104-T134 PolarHBondContact O-OG1 2.92Å; L106-T134 HydrophobicContact CD1-CG2 4.38Å; T134-M136 VanDerWaalsContact C-N 3.33Å; T134-G140 CarbonylContact O-C 3.53Å; T134-G140 WeakPolarHBondContact O-CA 3.17Å; T134-T144 PolarHBondContact O-OG1 3.43Å
135	D	86.5	Confident	87.2	Confident	148 Å²	148	48.6 Å²	48.6	79%	0.791	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-3.4	174.5	65.8	-23.1	0	0	0	113.6	P133	P133-D135 WeakPolarHBondContact CB-OD1 3.25Å; P133-D135 PolarHBondContact O-N 2.82Å
136	M	86.6	Confident	87.6	Confident	78 Å²	78	49.4 Å²	49.4	38%	0.384	28%	0.275	S	S	.	.	S	Bend	trans	-118.5	138.6	-173.5	-170.2	171.1	177.1	0	0	112.6	I132 P133 T134 G140 C161 F163	I132-M136 HydrophobicContact CG2-CB 4.49Å; I132-M136 WeakPolarHBondContact CG2-O 3.48Å; P133-M136 HydrophobicContact CB-CB 4.26Å; P133-M136 PolarHBondContact O-N 3.35Å; P133-M136 VanDerWaalsContact O-N 3.09Å; T134-M136 VanDerWaalsContact C-N 3.33Å; M136-G140 WeakPolarHBondContact O-CA 3.49Å; M136-G140 PolarHBondContact O-N 2.84Å; M136-C161 HydrophobicContact CE-CB 4.19Å; M136-C161 WeakPolarHBondContact CE-SG 3.36Å; M136-F163 HydrophobicContact CE-CD1 4.41Å
137	G	88.3	Confident	88.3	Confident	15 Å²	15	54.1 Å²	54.1	16%	0.155	29%	0.291	C	S	.	.	H	α-helix	trans	76.6	173.2	173.9	0	0	0	0	0	114.6	V139 H141 K159	G137-V139 VanDerWaalsContact C-N 3.33Å; G137-H141 PolarHBondContact O-N 3.19Å; G137-H141 VanDerWaalsContact O-N 3.09Å; G137-K159 CarbonylContact C-O 3.15Å; G137-K159 WeakPolarHBondContact CA-O 3.45Å
138	I	90	Very high	89.1	Confident	12 Å²	12	49.4 Å²	49.4	6%	0.062	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-38.8	175.4	-61.5	171.7	0	0	0	110.1	H141 T142 Q149 V151 K159 F160 V175	I138-H141 PolarHBondContact O-N 3Å; I138-T142 WeakPolarHBondContact O-CB 3.41Å; I138-T142 PolarHBondContact O-N 3.16Å; I138-T142 PolarHBondContact O-OG1 3.02Å; I138-Q149 HydrophobicContact CG2-CB 4.49Å; I138-V151 HydrophobicContact CD1-CB 4.45Å; I138-V151 HydrophobicContact CD1-CG2 4.19Å; I138-K159 PolarHBondContact N-O 2.68Å; I138-F160 HydrophobicContact CD1-CB 4.46Å; I138-F160 HydrophobicContact CD1-CD2 3.93Å; I138-V175 HydrophobicContact CD1-CB 4.17Å; I138-V175 HydrophobicContact CD1-CG1 4.31Å; I138-V175 HydrophobicContact CD1-CG2 4.19Å; I138-V175 HydrophobicContact CG2-CG1 4.31Å
139	V	90.3	Very high	89.6	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-46.3	179.9	-168.3	0	0	0	0	111	Y95 L106 G137 T142 A143 V189 M191	Y95-V139 HydrophobicContact CD1-CG1 4.32Å; Y95-V139 HydrophobicContact CD2-CG1 3.91Å; Y95-V139 HydrophobicContact CD2-CG2 4.38Å; Y95-V139 HydrophobicContact CE2-CG1 4.49Å; Y95-V139 HydrophobicContact CE2-CG2 4.18Å; Y95-V139 HydrophobicContact CG-CG1 3.84Å; L106-V139 HydrophobicContact CD1-CB 4.42Å; L106-V139 HydrophobicContact CD1-CG1 3.84Å; G137-V139 VanDerWaalsContact C-N 3.33Å; V139-T142 PolarHBondContact O-N 3.02Å; V139-A143 PolarHBondContact O-N 3.14Å; V139-V189 HydrophobicContact CG1-CB 3.64Å; V139-V189 HydrophobicContact CG1-CG1 3.72Å; V139-V189 HydrophobicContact CG1-CG2 4.12Å; V139-M191 HydrophobicContact CG2-CE 4.39Å; V139-M191 HydrophobicContact CG2-SD 3.67Å
140	G	90.5	Very high	89.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-43	174.4	0	0	0	0	0	112.5	T134 M136 T142 A143 T144	T134-G140 CarbonylContact O-C 3.53Å; T134-G140 WeakPolarHBondContact O-CA 3.17Å; M136-G140 WeakPolarHBondContact O-CA 3.49Å; M136-G140 PolarHBondContact O-N 2.84Å; G140-T142 VanDerWaalsContact C-N 3.33Å; G140-T142 PolarHBondContact O-N 2.95Å; G140-A143 PolarHBondContact O-N 3.38Å; G140-T144 WeakPolarHBondContact O-CB 3.41Å; G140-T144 PolarHBondContact O-N 2.72Å; G140-T144 PolarHBondContact O-OG1 2.95Å
141	H	90.9	Very high	90.2	Very high	57 Å²	57	47.1 Å²	47.1	26%	0.264	26%	0.255	S	S	.	.	H	α-helix	trans	-59.9	-43.3	175.4	-173.3	46.1	0	0	0	112.3	G137 I138 T144 S145 K159	G137-H141 PolarHBondContact O-N 3.19Å; G137-H141 VanDerWaalsContact O-N 3.09Å; I138-H141 PolarHBondContact O-N 3Å; H141-T144 PolarHBondContact O-N 3.44Å; H141-S145 VanDerWaalsContact O-CB 3.23Å; H141-S145 WeakPolarHBondContact O-CB 3.49Å; H141-S145 PolarHBondContact O-N 2.8Å; H141-S145 PolarHBondContact O-OG 2.58Å; H141-K159 HydrophobicContact CB-CD 4.15Å; H141-K159 PolarHBondContact CD2-NZ 2.83Å; H141-K159 PolarHBondContact CE1-NZ 3.33Å; H141-K159 PolarHBondContact ND1-NZ 3.24Å; H141-K159 PolarHBondContact NE2-NZ 3.41Å
142	T	92.6	Very high	90.2	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-41.5	178.6	-61.9	0	0	0	0	112.3	I138 V139 G140 K146 Q149 S177 P179 V189	I138-T142 WeakPolarHBondContact O-CB 3.41Å; I138-T142 PolarHBondContact O-N 3.16Å; I138-T142 PolarHBondContact O-OG1 3.02Å; V139-T142 PolarHBondContact O-N 3.02Å; G140-T142 VanDerWaalsContact C-N 3.33Å; G140-T142 PolarHBondContact O-N 2.95Å; T142-K146 WeakPolarHBondContact O-CA 3.29Å; T142-K146 PolarHBondContact O-N 3.23Å; T142-Q149 WeakPolarHBondContact OG1-CG 3.5Å; T142-S177 PolarHBondContact OG1-OG 3.16Å; T142-P179 HydrophobicContact CG2-CB 4.06Å; T142-P179 HydrophobicContact CG2-CG 4.18Å; T142-V189 HydrophobicContact CG2-CG1 3.84Å; T142-V189 HydrophobicContact CG2-CG2 4.36Å
143	A	92	Very high	90.1	Very high	7 Å²	7	49.9 Å²	49.9	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-43.8	174.6	0	0	0	0	0	111.7	L106 V139 G140 K146 V189	L106-A143 HydrophobicContact CD1-CB 3.93Å; L106-A143 HydrophobicContact CD2-CB 4.33Å; V139-A143 PolarHBondContact O-N 3.14Å; G140-A143 PolarHBondContact O-N 3.38Å; A143-K146 WeakPolarHBondContact O-CG 3.06Å; A143-V189 HydrophobicContact CB-CG2 3.89Å
144	T	91.3	Very high	90.1	Very high	89 Å²	89	47.7 Å²	47.7	55%	0.546	26%	0.257	S	S	.	.	H	α-helix	trans	-73	-42	-178.7	-54.6	0	0	0	0	112.4	T134 G140 H141 K146	T134-T144 PolarHBondContact O-OG1 3.43Å; G140-T144 WeakPolarHBondContact O-CB 3.41Å; G140-T144 PolarHBondContact O-N 2.72Å; G140-T144 PolarHBondContact O-OG1 2.95Å; H141-T144 PolarHBondContact O-N 3.44Å; T144-K146 VanDerWaalsContact C-N 3.29Å; T144-K146 PolarHBondContact O-N 3.01Å
145	S	91.4	Very high	89.9	Confident	36 Å²	36	52 Å²	52	25%	0.252	28%	0.283	S	S	.	.	H	α-helix	trans	-76.4	-18.8	-179.1	73.7	0	0	0	0	113	H141 K147 Q149	H141-S145 VanDerWaalsContact O-CB 3.23Å; H141-S145 WeakPolarHBondContact O-CB 3.49Å; H141-S145 PolarHBondContact O-N 2.8Å; H141-S145 PolarHBondContact O-OG 2.58Å; S145-K147 WeakPolarHBondContact O-CG 3.37Å; S145-K147 PolarHBondContact O-N 2.8Å; S145-K147 VanDerWaalsContact O-N 3.11Å; S145-K147 PolarHBondContact OG-N 2.9Å; S145-K147 PolarHBondContact OG-O 3.37Å; S145-Q149 PolarHBondContact OG-NE2 2.82Å
146	K	92.6	Very high	89.7	Confident	103 Å²	103	52.8 Å²	52.8	45%	0.448	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	32.1	-176.4	-57.1	173.2	-178.6	-175.4	0	112	T142 A143 T144 M181 K184	T142-K146 WeakPolarHBondContact O-CA 3.29Å; T142-K146 PolarHBondContact O-N 3.23Å; A143-K146 WeakPolarHBondContact O-CG 3.06Å; T144-K146 VanDerWaalsContact C-N 3.29Å; T144-K146 PolarHBondContact O-N 3.01Å; K146-M181 HydrophobicContact CB-CE 3.96Å; K146-M181 HydrophobicContact CB-SD 4.06Å; K146-M181 HydrophobicContact CD-CE 3.69Å; K146-M181 HydrophobicContact CG-CE 3.77Å; K146-M181 HydrophobicContact CG-SD 4.12Å; K146-K184 VanDerWaalsContact CE-O 3.32Å; K146-K184 WeakPolarHBondContact CE-O 3.48Å; K146-K184 PolarHBondContact NZ-O 3.06Å
147	K	92	Very high	89.7	Confident	140 Å²	140	51.1 Å²	51.1	61%	0.609	27%	0.272	S	S	*	.	S	Bend	trans	-136.6	138.8	-176.2	-76.2	178.4	-178.8	-179.5	0	109.6	S145 Q149	S145-K147 WeakPolarHBondContact O-CG 3.37Å; S145-K147 PolarHBondContact O-N 2.8Å; S145-K147 VanDerWaalsContact O-N 3.11Å; S145-K147 PolarHBondContact OG-N 2.9Å; S145-K147 PolarHBondContact OG-O 3.37Å; K147-Q149 PolarHBondContact O-NE2 3.39Å; K147-Q149 VanDerWaalsContact O-NE2 3.09Å
148	P	92.6	Very high	89.4	Confident	42 Å²	42	56.6 Å²	56.6	27%	0.273	31%	0.305	S	S	.	.			trans	-62.4	148.2	176	24.3	-28.2	0	0	0	110.6	S177 Y178 H210	P148-S177 CarbonylContact C-O 3.03Å; P148-S177 WeakPolarHBondContact CA-O 3.26Å; P148-S177 WeakPolarHBondContact CB-O 3.46Å; P148-Y178 HydrophobicContact CB-CD2 3.97Å; P148-H210 WeakPolarHBondContact CG-NE2 3.44Å
149	Q	92.1	Very high	89.1	Confident	49 Å²	49	60.6 Å²	60.6	23%	0.229	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.8	-178.5	-53.6	-65	-41.3	0	0	109.6	I138 T142 S145 K147 M176 S177	I138-Q149 HydrophobicContact CG2-CB 4.49Å; T142-Q149 WeakPolarHBondContact OG1-CG 3.5Å; S145-Q149 PolarHBondContact OG-NE2 2.82Å; K147-Q149 PolarHBondContact O-NE2 3.39Å; K147-Q149 VanDerWaalsContact O-NE2 3.09Å; Q149-M176 CarbonylContact O-C 3.57Å; Q149-M176 VanDerWaalsContact O-CA 3.29Å; Q149-M176 WeakPolarHBondContact O-CA 3.5Å; Q149-S177 PolarHBondContact N-O 3.43Å; Q149-S177 PolarHBondContact O-N 2.77Å
150	N	91.9	Very high	88.9	Confident	46 Å²	46	62.8 Å²	62.8	25%	0.246	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	111.9	170.1	-176.6	0.4	0	0	0	108.6	P152 M176	N150-P152 WeakPolarHBondContact O-CD 3.37Å; N150-M176 HydrophobicContact CB-CG 4.3Å
151	V	91.8	Very high	88.7	Confident	10 Å²	10	64.4 Å²	64.4	6%	0.061	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	98.4	-177.8	-176.6	0	0	0	0	108.2	I138 D153 I154 N157 C174 V175	I138-V151 HydrophobicContact CD1-CB 4.45Å; I138-V151 HydrophobicContact CD1-CG2 4.19Å; V151-D153 VanDerWaalsContact C-N 3.32Å; V151-D153 PolarHBondContact O-N 2.79Å; V151-I154 HydrophobicContact CG1-CG2 4.34Å; V151-N157 HydrophobicContact CG1-CB 3.86Å; V151-N157 WeakPolarHBondContact CG1-ND2 3.47Å; V151-N157 VanDerWaalsContact CG2-ND2 3.31Å; V151-N157 WeakPolarHBondContact CG2-ND2 3.36Å; V151-C174 WeakPolarHBondContact O-CA 3.35Å; V151-V175 PolarHBondContact N-O 3.31Å; V151-V175 PolarHBondContact O-N 3.06Å
152	P	86.9	Confident	88.5	Confident	75 Å²	75	65.1 Å²	65.1	49%	0.487	35%	0.348	S	S	.	.	S	Bend	trans	-73.1	-23	-174.9	27.7	-34.9	0	0	0	113.4	N150 C174 A200	N150-P152 WeakPolarHBondContact O-CD 3.37Å; P152-C174 WeakPolarHBondContact O-CB 3.35Å; P152-A200 HydrophobicContact CB-CB 3.64Å
153	D	87.7	Confident	88.2	Confident	47 Å²	47	68.3 Å²	68.3	25%	0.251	36%	0.362	S	S	.	.			trans	-143.5	108.9	177.4	-178.9	-7	0	0	0	109.5	V151 T155 K156	V151-D153 VanDerWaalsContact C-N 3.32Å; V151-D153 PolarHBondContact O-N 2.79Å; D153-T155 VanDerWaalsContact C-N 3.26Å; D153-T155 PolarHBondContact O-N 3.5Å; D153-T155 WeakPolarHBondContact OD1-CB 3.33Å; D153-T155 PolarHBondContact OD1-N 2.75Å; D153-T155 PolarHBondContact OD1-OG1 3.35Å; D153-T155 PolarHBondContact OD2-OG1 2.91Å; D153-K156 HydrophobicContact CB-CD 4.37Å; D153-K156 PolarHBondContact O-N 3.38Å; D153-K156 WeakPolarHBondContact OD2-CD 3.21Å; D153-K156 VanDerWaalsContact OD2-CE 3.22Å; D153-K156 WeakPolarHBondContact OD2-CE 3.47Å; D153-K156 IonicContact OD2-NZ 2.74Å; D153-K156 PolarHBondContact OD2-NZ 2.85Å
154	I	86.9	Confident	87.9	Confident	13 Å²	13	68.9 Å²	68.9	7%	0.067	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-66.9	-24.8	-177.9	58.7	144.7	0	0	0	113.5	V151 K156 N157 F160 T172 K173 V175	V151-I154 HydrophobicContact CG1-CG2 4.34Å; I154-K156 PolarHBondContact O-N 3.13Å; I154-N157 PolarHBondContact O-N 2.89Å; I154-N157 VanDerWaalsContact O-N 3.11Å; I154-F160 HydrophobicContact CB-CB 4.44Å; I154-F160 HydrophobicContact CB-CD1 4.4Å; I154-F160 HydrophobicContact CB-CD2 3.94Å; I154-F160 HydrophobicContact CB-CE2 4.31Å; I154-F160 HydrophobicContact CB-CG 3.99Å; I154-F160 HydrophobicContact CD1-CD1 3.82Å; I154-F160 HydrophobicContact CD1-CD2 4.16Å; I154-F160 HydrophobicContact CD1-CE1 3.44Å; I154-F160 VanDerWaalsContact CD1-CE1 3.44Å; I154-F160 HydrophobicContact CD1-CE2 3.81Å; I154-F160 HydrophobicContact CD1-CG 4.17Å; I154-F160 HydrophobicContact CD1-CZ 3.44Å; I154-F160 VanDerWaalsContact CD1-CZ 3.44Å; I154-F160 HydrophobicContact CG2-CD2 3.89Å; I154-F160 HydrophobicContact CG2-CE2 4.15Å; I154-F160 HydrophobicContact CG2-CG 4.43Å; I154-T172 HydrophobicContact CD1-CG2 4.24Å; I154-T172 WeakPolarHBondContact CD1-O 3.45Å; I154-T172 WeakPolarHBondContact CG1-O 3.32Å; I154-T172 HydrophobicContact CG2-CG2 3.99Å; I154-K173 WeakPolarHBondContact CG1-O 3.36Å; I154-K173 PolarHBondContact N-O 3.39Å; I154-V175 HydrophobicContact CG2-CG2 3.71Å
155	T	82.8	Confident	87.8	Confident	118 Å²	118	65.9 Å²	65.9	72%	0.724	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-68.5	-21.2	-176.4	65.4	0	0	0	0	112.5	D153	D153-T155 VanDerWaalsContact C-N 3.26Å; D153-T155 PolarHBondContact O-N 3.5Å; D153-T155 WeakPolarHBondContact OD1-CB 3.33Å; D153-T155 PolarHBondContact OD1-N 2.75Å; D153-T155 PolarHBondContact OD1-OG1 3.35Å; D153-T155 PolarHBondContact OD2-OG1 2.91Å
156	K	82.7	Confident	87.6	Confident	165 Å²	165	71.2 Å²	71.2	72%	0.717	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-94.8	-6.3	178.6	-65.4	174.6	-176.4	133.1	0	113	D153 I154	D153-K156 HydrophobicContact CB-CD 4.37Å; D153-K156 PolarHBondContact O-N 3.38Å; D153-K156 WeakPolarHBondContact OD2-CD 3.21Å; D153-K156 VanDerWaalsContact OD2-CE 3.22Å; D153-K156 WeakPolarHBondContact OD2-CE 3.47Å; D153-K156 IonicContact OD2-NZ 2.74Å; D153-K156 PolarHBondContact OD2-NZ 2.85Å; I154-K156 PolarHBondContact O-N 3.13Å
157	N	85.4	Confident	87.3	Confident	42 Å²	42	73 Å²	73	23%	0.225	37%	0.374	C	S	.	.			trans	-99	113.3	-176.2	-166.7	-30.7	0	0	0	111	V151 I154 K159 F160	V151-N157 HydrophobicContact CG1-CB 3.86Å; V151-N157 WeakPolarHBondContact CG1-ND2 3.47Å; V151-N157 VanDerWaalsContact CG2-ND2 3.31Å; V151-N157 WeakPolarHBondContact CG2-ND2 3.36Å; I154-N157 PolarHBondContact O-N 2.89Å; I154-N157 VanDerWaalsContact O-N 3.11Å; N157-K159 PolarHBondContact O-N 2.81Å; N157-K159 VanDerWaalsContact O-N 3.1Å; N157-K159 WeakPolarHBondContact OD1-CB 3.26Å; N157-K159 PolarHBondContact OD1-N 2.82Å; N157-F160 PolarHBondContact O-N 3.07Å
158	P	83.1	Confident	87	Confident	131 Å²	131	69.3 Å²	69.3	85%	0.851	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.9	-178.4	29	-36	0	0	0	113.7
159	K	83.6	Confident	86.7	Confident	95 Å²	95	70.7 Å²	70.7	41%	0.413	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.9	179.5	-59	177.7	178.2	173.4	0	113.2	G137 I138 H141 N157	G137-K159 CarbonylContact C-O 3.15Å; G137-K159 WeakPolarHBondContact CA-O 3.45Å; I138-K159 PolarHBondContact N-O 2.68Å; H141-K159 HydrophobicContact CB-CD 4.15Å; H141-K159 PolarHBondContact CD2-NZ 2.83Å; H141-K159 PolarHBondContact CE1-NZ 3.33Å; H141-K159 PolarHBondContact ND1-NZ 3.24Å; H141-K159 PolarHBondContact NE2-NZ 3.41Å; N157-K159 PolarHBondContact O-N 2.81Å; N157-K159 VanDerWaalsContact O-N 3.1Å; N157-K159 WeakPolarHBondContact OD1-CB 3.26Å; N157-K159 PolarHBondContact OD1-N 2.82Å
160	F	86.6	Confident	86.6	Confident	54 Å²	54	71 Å²	71	24%	0.237	38%	0.384	C	S	.	.			trans	-73.5	140.5	175.5	-179.8	-102.7	0	0	0	110.6	I138 I154 N157 D162 T172	I138-F160 HydrophobicContact CD1-CB 4.46Å; I138-F160 HydrophobicContact CD1-CD2 3.93Å; I154-F160 HydrophobicContact CB-CB 4.44Å; I154-F160 HydrophobicContact CB-CD1 4.4Å; I154-F160 HydrophobicContact CB-CD2 3.94Å; I154-F160 HydrophobicContact CB-CE2 4.31Å; I154-F160 HydrophobicContact CB-CG 3.99Å; I154-F160 HydrophobicContact CD1-CD1 3.82Å; I154-F160 HydrophobicContact CD1-CD2 4.16Å; I154-F160 HydrophobicContact CD1-CE1 3.44Å; I154-F160 VanDerWaalsContact CD1-CE1 3.44Å; I154-F160 HydrophobicContact CD1-CE2 3.81Å; I154-F160 HydrophobicContact CD1-CG 4.17Å; I154-F160 HydrophobicContact CD1-CZ 3.44Å; I154-F160 VanDerWaalsContact CD1-CZ 3.44Å; I154-F160 HydrophobicContact CG2-CD2 3.89Å; I154-F160 HydrophobicContact CG2-CE2 4.15Å; I154-F160 HydrophobicContact CG2-CG 4.43Å; N157-F160 PolarHBondContact O-N 3.07Å; F160-D162 HydrophobicContact CE1-CB 3.87Å; F160-T172 HydrophobicContact CE2-CG2 4.04Å; F160-T172 HydrophobicContact CZ-CG2 4.43Å
161	C	85.8	Confident	86.5	Confident	34 Å²	34	76.5 Å²	76.5	23%	0.23	41%	0.406	C	S	.	.			trans	-120.7	127.4	173	-167.1	0	0	0	0	110.4	M136 F163	M136-C161 HydrophobicContact CE-CB 4.19Å; M136-C161 WeakPolarHBondContact CE-SG 3.36Å; C161-F163 HydrophobicContact CB-CD1 4.29Å; C161-F163 VanDerWaalsContact SG-CD1 3.58Å
162	D	85.9	Confident	86.4	Confident	71 Å²	71	76.3 Å²	76.3	38%	0.38	41%	0.405	S	S	.	.			trans	-91.6	6.5	-174.3	70.8	-4.9	0	0	0	113.9	F160 V164 D165 K166	F160-D162 HydrophobicContact CE1-CB 3.87Å; D162-V164 PolarHBondContact O-N 3.21Å; D162-D165 PolarHBondContact O-N 3.41Å; D162-K166 VanDerWaalsContact CG-CE 3.45Å; D162-K166 WeakPolarHBondContact O-CG 3.33Å; D162-K166 PolarHBondContact O-N 3.44Å; D162-K166 WeakPolarHBondContact OD1-CE 3.39Å; D162-K166 IonicContact OD1-NZ 2.78Å; D162-K166 PolarHBondContact OD1-NZ 2.67Å; D162-K166 WeakPolarHBondContact OD2-CE 3.45Å; D162-K166 IonicContact OD2-NZ 2.76Å; D162-K166 PolarHBondContact OD2-NZ 2.94Å
163	F	87	Confident	86.6	Confident	67 Å²	67	78.3 Å²	78.3	29%	0.294	41%	0.406	S	S	.	.	H	α-helix	trans	-65.6	-41.7	-174.6	91.7	-93.4	0	0	0	112.4	I130 I132 M136 C161 K166 Q167	I130-F163 HydrophobicContact CG2-CE2 3.61Å; I130-F163 HydrophobicContact CG2-CZ 3.39Å; I132-F163 HydrophobicContact CD1-CE1 4.41Å; I132-F163 HydrophobicContact CD1-CZ 4.47Å; I132-F163 HydrophobicContact CG1-CE1 4.25Å; I132-F163 HydrophobicContact CG1-CZ 4.12Å; M136-F163 HydrophobicContact CE-CD1 4.41Å; C161-F163 HydrophobicContact CB-CD1 4.29Å; C161-F163 VanDerWaalsContact SG-CD1 3.58Å; F163-K166 PolarHBondContact O-N 3.32Å; F163-Q167 WeakPolarHBondContact O-CB 3.05Å; F163-Q167 PolarHBondContact O-N 3.08Å
164	V	86.8	Confident	86.8	Confident	19 Å²	19	76.1 Å²	76.1	12%	0.115	40%	0.395	C	S	.	.	H	α-helix	trans	-67.2	-41.6	178	-176.1	0	0	0	0	110.1	F111 I130 D162 K166 Q167 T168	F111-V164 HydrophobicContact CE2-CG1 4.18Å; F111-V164 HydrophobicContact CZ-CG1 3.68Å; I130-V164 HydrophobicContact CD1-CG1 4.19Å; I130-V164 HydrophobicContact CG2-CG2 4.33Å; D162-V164 PolarHBondContact O-N 3.21Å; V164-K166 VanDerWaalsContact C-N 3.34Å; V164-K166 PolarHBondContact O-N 3.46Å; V164-Q167 PolarHBondContact O-N 3.08Å; V164-T168 HydrophobicContact CG1-CG2 4.16Å; V164-T168 WeakPolarHBondContact O-CB 3.24Å; V164-T168 WeakPolarHBondContact O-CG2 3.49Å; V164-T168 PolarHBondContact O-N 3.13Å; V164-T168 PolarHBondContact O-OG1 3.38Å
165	D	87.9	Confident	87	Confident	26 Å²	26	75.5 Å²	75.5	14%	0.139	39%	0.392	C	S	.	.	H	α-helix	trans	-59.3	-44	175.3	-81.9	28.1	0	0	0	110.9	D162 Q167 T168 G169 Y170 T172	D162-D165 PolarHBondContact O-N 3.41Å; D165-Q167 PolarHBondContact O-N 2.74Å; D165-T168 PolarHBondContact O-OG1 3.23Å; D165-G169 WeakPolarHBondContact O-CA 3.31Å; D165-G169 PolarHBondContact O-N 3.45Å; D165-Y170 VanDerWaalsContact CB-O 3.25Å; D165-Y170 WeakPolarHBondContact CB-O 3.46Å; D165-Y170 PolarHBondContact O-N 2.75Å; D165-T172 PolarHBondContact OD1-OG1 3.09Å; D165-T172 VanDerWaalsContact OD2-CB 3.29Å; D165-T172 WeakPolarHBondContact OD2-CB 3.01Å; D165-T172 PolarHBondContact OD2-N 2.99Å; D165-T172 PolarHBondContact OD2-OG1 2.87Å
166	K	88.1	Confident	87.6	Confident	148 Å²	148	70 Å²	70	64%	0.643	36%	0.358	S	S	*	.	H	α-helix	trans	-63.3	-39.6	175.6	-75.8	168.9	178.8	154.7	0	113	D162 F163 V164	D162-K166 VanDerWaalsContact CG-CE 3.45Å; D162-K166 WeakPolarHBondContact O-CG 3.33Å; D162-K166 PolarHBondContact O-N 3.44Å; D162-K166 WeakPolarHBondContact OD1-CE 3.39Å; D162-K166 IonicContact OD1-NZ 2.78Å; D162-K166 PolarHBondContact OD1-NZ 2.67Å; D162-K166 WeakPolarHBondContact OD2-CE 3.45Å; D162-K166 IonicContact OD2-NZ 2.76Å; D162-K166 PolarHBondContact OD2-NZ 2.94Å; F163-K166 PolarHBondContact O-N 3.32Å; V164-K166 VanDerWaalsContact C-N 3.34Å; V164-K166 PolarHBondContact O-N 3.46Å
167	Q	85.9	Confident	88.1	Confident	140 Å²	140	62.2 Å²	62.2	65%	0.654	32%	0.324	S	S	*	.	H	α-helix	trans	-74.2	-36	-178	-170.6	175.2	1.9	0	0	112.3	F163 V164 D165	F163-Q167 WeakPolarHBondContact O-CB 3.05Å; F163-Q167 PolarHBondContact O-N 3.08Å; V164-Q167 PolarHBondContact O-N 3.08Å; D165-Q167 PolarHBondContact O-N 2.74Å
168	T	85.9	Confident	88.6	Confident	63 Å²	63	62.2 Å²	62.2	39%	0.387	32%	0.321	S	S	.	.	H	α-helix	trans	-91.6	-17.2	-178.1	57.8	0	0	0	0	113.3	F111 V164 D165 Y170	F111-T168 HydrophobicContact CE1-CG2 4.12Å; F111-T168 HydrophobicContact CZ-CG2 4.33Å; V164-T168 HydrophobicContact CG1-CG2 4.16Å; V164-T168 WeakPolarHBondContact O-CB 3.24Å; V164-T168 WeakPolarHBondContact O-CG2 3.49Å; V164-T168 PolarHBondContact O-N 3.13Å; V164-T168 PolarHBondContact O-OG1 3.38Å; D165-T168 PolarHBondContact O-OG1 3.23Å; T168-Y170 PolarHBondContact O-N 3.19Å; T168-Y170 WeakPolarHBondContact OG1-CB 3.07Å; T168-Y170 PolarHBondContact OG1-N 3.07Å
169	G	86.2	Confident	89.1	Confident	72 Å²	72	56.2 Å²	56.2	74%	0.742	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	11.1	-170.9	0	0	0	0	0	113.7	D165	D165-G169 WeakPolarHBondContact O-CA 3.31Å; D165-G169 PolarHBondContact O-N 3.45Å
170	Y	90.3	Very high	89.7	Confident	54 Å²	54	51.7 Å²	51.7	21%	0.212	26%	0.262	C	S	.	.			trans	-85.2	153.4	179.3	-168.7	-103.4	0	0	0	111.3	D90 R91 D165 T168 L193 N194	D90-Y170 WeakPolarHBondContact OD2-CE2 3.14Å; D90-Y170 PolarHBondContact OD2-OH 2.85Å; R91-Y170 HydrophobicContact CG-CE2 4.49Å; D165-Y170 VanDerWaalsContact CB-O 3.25Å; D165-Y170 WeakPolarHBondContact CB-O 3.46Å; D165-Y170 PolarHBondContact O-N 2.75Å; T168-Y170 PolarHBondContact O-N 3.19Å; T168-Y170 WeakPolarHBondContact OG1-CB 3.07Å; T168-Y170 PolarHBondContact OG1-N 3.07Å; Y170-L193 HydrophobicContact CE1-CD1 4.31Å; Y170-N194 WeakPolarHBondContact CE1-ND2 2.85Å; Y170-N194 PolarHBondContact OH-ND2 2.93Å
171	K	89.3	Confident	89.9	Confident	163 Å²	163	51 Å²	51	71%	0.709	26%	0.26	S	S	*	.			trans	-118	107.2	176.8	-173.6	173.6	-177.6	175.6	0	110.7	N194	K171-N194 PolarHBondContact O-ND2 3.27Å
172	T	90.8	Very high	90.1	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.037	25%	0.252	C	S	.	.			trans	-76.2	139.1	173.6	-57.8	0	0	0	0	110.2	I154 F160 D165 V175 L193	I154-T172 HydrophobicContact CD1-CG2 4.24Å; I154-T172 WeakPolarHBondContact CD1-O 3.45Å; I154-T172 WeakPolarHBondContact CG1-O 3.32Å; I154-T172 HydrophobicContact CG2-CG2 3.99Å; F160-T172 HydrophobicContact CE2-CG2 4.04Å; F160-T172 HydrophobicContact CZ-CG2 4.43Å; D165-T172 PolarHBondContact OD1-OG1 3.09Å; D165-T172 VanDerWaalsContact OD2-CB 3.29Å; D165-T172 WeakPolarHBondContact OD2-CB 3.01Å; D165-T172 PolarHBondContact OD2-N 2.99Å; D165-T172 PolarHBondContact OD2-OG1 2.87Å; T172-V175 HydrophobicContact CG2-CG2 3.47Å; T172-V175 VanDerWaalsContact CG2-CG2 3.47Å; T172-L193 HydrophobicContact CG2-CD2 3.96Å
173	K	90.3	Very high	90.1	Very high	116 Å²	116	54.2 Å²	54.2	50%	0.504	28%	0.276	S	S	.	.			trans	-119.9	-49.7	178.1	-58.5	178.7	-177.4	177.1	0	111.2	I154 N194	I154-K173 WeakPolarHBondContact CG1-O 3.36Å; I154-K173 PolarHBondContact N-O 3.39Å; K173-N194 WeakPolarHBondContact CA-OD1 3.4Å; K173-N194 VanDerWaalsContact CB-OD1 3.29Å; K173-N194 WeakPolarHBondContact CB-OD1 3.49Å; K173-N194 PolarHBondContact N-OD1 3.03Å
174	C	90.9	Very high	90.1	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.007	30%	0.296	C	S	.	.			trans	-138.8	150.1	179	60.2	0	0	0	0	111	V151 P152 N194 K195 D199 F201	V151-C174 WeakPolarHBondContact O-CA 3.35Å; P152-C174 WeakPolarHBondContact O-CB 3.35Å; C174-N194 PolarHBondContact N-OD1 3.21Å; C174-N194 PolarHBondContact O-N 2.92Å; C174-K195 PolarHBondContact SG-N 3.17Å; C174-D199 PolarHBondContact SG-O 3.08Å; C174-D199 VanDerWaalsContact SG-O 3.39Å; C174-F201 HydrophobicContact CB-CD2 4.39Å
175	V	92.9	Very high	90.1	Very high	1 Å²	1	63 Å²	63	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	134.6	-172.2	-178.9	0	0	0	0	110.6	I138 V151 I154 T172 M191 V192 L193	I138-V175 HydrophobicContact CD1-CB 4.17Å; I138-V175 HydrophobicContact CD1-CG1 4.31Å; I138-V175 HydrophobicContact CD1-CG2 4.19Å; I138-V175 HydrophobicContact CG2-CG1 4.31Å; V151-V175 PolarHBondContact N-O 3.31Å; V151-V175 PolarHBondContact O-N 3.06Å; I154-V175 HydrophobicContact CG2-CG2 3.71Å; T172-V175 HydrophobicContact CG2-CG2 3.47Å; T172-V175 VanDerWaalsContact CG2-CG2 3.47Å; V175-M191 HydrophobicContact CG1-CG 3.71Å; V175-M191 HydrophobicContact CG1-SD 3.97Å; V175-V192 WeakPolarHBondContact CA-O 3.31Å; V175-L193 HydrophobicContact CB-CD2 4.39Å; V175-L193 HydrophobicContact CG1-CD2 4.15Å; V175-L193 HydrophobicContact CG2-CD2 3.65Å
176	M	93.5	Very high	90.3	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.4	159.1	-69.5	-170.8	-58	0	0	109.7	L87 Q149 N150 M191 V192 F201 D205 E206 F209	L87-M176 HydrophobicContact CD1-CE 3.96Å; Q149-M176 CarbonylContact O-C 3.57Å; Q149-M176 VanDerWaalsContact O-CA 3.29Å; Q149-M176 WeakPolarHBondContact O-CA 3.5Å; N150-M176 HydrophobicContact CB-CG 4.3Å; M176-M191 WeakPolarHBondContact O-CA 3.46Å; M176-V192 HydrophobicContact CB-CB 4.39Å; M176-V192 PolarHBondContact N-O 3.13Å; M176-V192 PolarHBondContact O-N 3.5Å; M176-F201 HydrophobicContact CE-CB 3.91Å; M176-F201 HydrophobicContact CE-CD1 3.38Å; M176-F201 HydrophobicContact CE-CD2 4.04Å; M176-F201 HydrophobicContact CE-CE1 3.84Å; M176-F201 HydrophobicContact CE-CE2 4.42Å; M176-F201 HydrophobicContact CE-CG 3.5Å; M176-F201 HydrophobicContact CE-CZ 4.34Å; M176-F201 HydrophobicContact CG-CB 4Å; M176-F201 HydrophobicContact CG-CD2 3.69Å; M176-F201 HydrophobicContact CG-CE2 4.36Å; M176-F201 HydrophobicContact CG-CG 3.89Å; M176-F201 HydrophobicContact SD-CB 3.58Å; M176-F201 VanDerWaalsContact SD-CB 3.58Å; M176-F201 HydrophobicContact SD-CD1 4.24Å; M176-F201 HydrophobicContact SD-CD2 4.22Å; M176-F201 HydrophobicContact SD-CG 3.77Å; M176-D205 HydrophobicContact CE-CB 4.43Å; M176-E206 HydrophobicContact SD-CB 4.42Å; M176-F209 HydrophobicContact CB-CD1 4.24Å; M176-F209 HydrophobicContact CB-CE1 4.08Å; M176-F209 HydrophobicContact CE-CB 4.26Å; M176-F209 HydrophobicContact CE-CD1 4.36Å; M176-F209 HydrophobicContact CE-CG 4.33Å; M176-F209 HydrophobicContact SD-CD1 4.47Å
177	S	93.9	Very high	90.5	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.007	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.9	174.3	61.7	0	0	0	0	111.8	T142 P148 Q149 I190	T142-S177 PolarHBondContact OG1-OG 3.16Å; P148-S177 CarbonylContact C-O 3.03Å; P148-S177 WeakPolarHBondContact CA-O 3.26Å; P148-S177 WeakPolarHBondContact CB-O 3.46Å; Q149-S177 PolarHBondContact N-O 3.43Å; Q149-S177 PolarHBondContact O-N 2.77Å; S177-I190 CarbonylContact C-O 3.49Å; S177-I190 WeakPolarHBondContact CA-O 3.32Å
178	Y	95.2	Very high	90.8	Very high	43 Å²	43	50 Å²	50	17%	0.169	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128.2	-177.4	-167.4	-75.4	0	0	0	109.9	P148 M180 I190 F209 H210 M213	P148-Y178 HydrophobicContact CB-CD2 3.97Å; Y178-M180 HydrophobicContact CD1-CE 3.19Å; Y178-M180 HydrophobicContact CE1-CE 3.55Å; Y178-M180 HydrophobicContact CG-CE 4.29Å; Y178-I190 PolarHBondContact N-O 2.87Å; Y178-I190 PolarHBondContact O-N 2.78Å; Y178-F209 HydrophobicContact CD2-CE1 4.49Å; Y178-F209 HydrophobicContact CG-CE1 4.46Å; Y178-H210 HydrophobicContact CE2-CB 4.23Å; Y178-H210 AromaticContact CE2-CD2 3.51Å; Y178-H210 AromaticContact CE2-CG 3.81Å; Y178-M213 HydrophobicContact CD1-CB 3.9Å; Y178-M213 HydrophobicContact CD1-CG 4.14Å; Y178-M213 HydrophobicContact CD2-CB 4.05Å; Y178-M213 HydrophobicContact CD2-CG 4.04Å; Y178-M213 HydrophobicContact CE1-CB 4Å; Y178-M213 HydrophobicContact CE2-CB 4.14Å; Y178-M213 HydrophobicContact CG-CB 3.93Å; Y178-M213 HydrophobicContact CG-CG 3.78Å
179	P	95.3	Very high	91.3	Very high	4 Å²	4	47 Å²	47	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132	176.8	32.2	-31.5	0	0	0	111.1	T142 M181	T142-P179 HydrophobicContact CG2-CB 4.06Å; T142-P179 HydrophobicContact CG2-CG 4.18Å; P179-M181 HydrophobicContact CB-CG 4.42Å; P179-M181 HydrophobicContact CB-SD 3.96Å; P179-M181 HydrophobicContact CG-SD 4.45Å
180	M	94.7	Very high	91.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.5	166.6	-59.6	-69.7	94.4	0	0	108.5	Y94 Y178 C186 L187 G188 I190 M213 A216 Q217 C220	Y94-M180 HydrophobicContact CE2-CG 4.24Å; Y178-M180 HydrophobicContact CD1-CE 3.19Å; Y178-M180 HydrophobicContact CE1-CE 3.55Å; Y178-M180 HydrophobicContact CG-CE 4.29Å; M180-C186 CarbonylContact O-C 3.59Å; M180-C186 WeakPolarHBondContact O-CA 3.38Å; M180-L187 HydrophobicContact CB-CB 4.19Å; M180-L187 PolarHBondContact O-N 2.91Å; M180-G188 PolarHBondContact N-O 2.87Å; M180-I190 HydrophobicContact CE-CD1 3.87Å; M180-I190 HydrophobicContact CG-CD1 4.29Å; M180-I190 HydrophobicContact CG-CG1 4.45Å; M180-I190 HydrophobicContact SD-CD1 3.81Å; M180-M213 HydrophobicContact CE-CB 4.25Å; M180-A216 HydrophobicContact SD-CB 3.94Å; M180-Q217 HydrophobicContact SD-CB 4.22Å; M180-C220 HydrophobicContact CB-CB 4.47Å
181	M	92.2	Very high	91.9	Very high	39 Å²	39	42 Å²	42	19%	0.192	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.6	-170.8	-61	-58.8	-57.5	0	0	112.3	K146 P179 K184 D185 C186 Q217	K146-M181 HydrophobicContact CB-CE 3.96Å; K146-M181 HydrophobicContact CB-SD 4.06Å; K146-M181 HydrophobicContact CD-CE 3.69Å; K146-M181 HydrophobicContact CG-CE 3.77Å; K146-M181 HydrophobicContact CG-SD 4.12Å; P179-M181 HydrophobicContact CB-CG 4.42Å; P179-M181 HydrophobicContact CB-SD 3.96Å; P179-M181 HydrophobicContact CG-SD 4.45Å; M181-K184 WeakPolarHBondContact CE-O 3.34Å; M181-D185 CarbonylContact C-O 3.54Å; M181-D185 WeakPolarHBondContact CA-O 3.37Å; M181-C186 HydrophobicContact SD-CB 4.01Å; M181-Q217 PolarHBondContact O-NE2 3.42Å
182	A	89.8	Confident	92.2	Very high	7 Å²	7	34.2 Å²	34.2	6%	0.058	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	101.8	161.2	0	0	0	0	0	107.8	K184 D185 L187 L221	A182-K184 PolarHBondContact O-N 2.7Å; A182-D185 PolarHBondContact N-O 2.9Å; A182-D185 PolarHBondContact O-N 2.5Å; A182-L187 HydrophobicContact CB-CD1 3.95Å; A182-L187 HydrophobicContact CB-CD2 3.74Å; A182-L187 HydrophobicContact CB-CG 3.87Å; A182-L221 HydrophobicContact CB-CD1 3.82Å
183	D	85.6	Confident	92.3	Very high	166 Å²	166	34.5 Å²	34.5	89%	0.888	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	-95.2	-171.2	-62.8	-33.5	0	0	0	113.1
184	K	86.6	Confident	92.3	Very high	166 Å²	166	29.7 Å²	29.7	72%	0.722	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-14.2	179.6	-66.5	-177.2	-177.7	175.2	0	113.2	K146 M181 A182	K146-K184 VanDerWaalsContact CE-O 3.32Å; K146-K184 WeakPolarHBondContact CE-O 3.48Å; K146-K184 PolarHBondContact NZ-O 3.06Å; M181-K184 WeakPolarHBondContact CE-O 3.34Å; A182-K184 PolarHBondContact O-N 2.7Å
185	D	87.6	Confident	92.3	Very high	105 Å²	105	31 Å²	31	56%	0.561	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	138.1	-171.3	-60.2	-35	0	0	0	111.2	M181 A182	M181-D185 CarbonylContact C-O 3.54Å; M181-D185 WeakPolarHBondContact CA-O 3.37Å; A182-D185 PolarHBondContact N-O 2.9Å; A182-D185 PolarHBondContact O-N 2.5Å
186	C	91.6	Very high	92	Very high	20 Å²	20	35.3 Å²	35.3	14%	0.135	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.1	176.9	-174.1	0	0	0	0	108.7	C97 M180 M181 G188	C97-C186 WeakPolarHBondContact CB-O 3.35Å; C97-C186 PolarHBondContact SG-O 3.12Å; C97-C186 VanDerWaalsContact SG-O 3.37Å; M180-C186 CarbonylContact O-C 3.59Å; M180-C186 WeakPolarHBondContact O-CA 3.38Å; M181-C186 HydrophobicContact SD-CB 4.01Å; C186-G188 PolarHBondContact SG-O 2.82Å; C186-G188 VanDerWaalsContact SG-O 3.37Å
187	L	91.7	Very high	91.5	Very high	21 Å²	21	39.3 Å²	39.3	11%	0.11	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-26.1	178.4	-60.4	-177.6	0	0	0	112.4	C97 M180 A182 C220 H224	C97-L187 WeakPolarHBondContact CB-O 3.42Å; C97-L187 PolarHBondContact N-O 3.44Å; M180-L187 HydrophobicContact CB-CB 4.19Å; M180-L187 PolarHBondContact O-N 2.91Å; A182-L187 HydrophobicContact CB-CD1 3.95Å; A182-L187 HydrophobicContact CB-CD2 3.74Å; A182-L187 HydrophobicContact CB-CG 3.87Å; L187-C220 HydrophobicContact CD1-CB 3.96Å; L187-H224 HydrophobicContact CD1-CB 3.93Å; L187-H224 HydrophobicContact CD2-CB 4.02Å
188	G	92.9	Very high	91	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.1	178	-175.2	0	0	0	0	0	112	Y95 M180 C186	Y95-G188 CarbonylContact O-C 3.56Å; Y95-G188 WeakPolarHBondContact O-CA 3.39Å; M180-G188 PolarHBondContact N-O 2.87Å; C186-G188 PolarHBondContact SG-O 2.82Å; C186-G188 VanDerWaalsContact SG-O 3.37Å
189	V	95.4	Very high	90.4	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.1	-178.6	179.9	0	0	0	0	109.5	Y95 L106 V139 T142 A143	Y95-V189 PolarHBondContact N-O 2.88Å; Y95-V189 PolarHBondContact O-N 3.46Å; L106-V189 HydrophobicContact CD2-CG2 4.08Å; V139-V189 HydrophobicContact CG1-CB 3.64Å; V139-V189 HydrophobicContact CG1-CG1 3.72Å; V139-V189 HydrophobicContact CG1-CG2 4.12Å; T142-V189 HydrophobicContact CG2-CG1 3.84Å; T142-V189 HydrophobicContact CG2-CG2 4.36Å; A143-V189 HydrophobicContact CB-CG2 3.89Å
190	I	95.8	Very high	90.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.1	170.3	-65.1	170.3	0	0	0	108	L80 V92 S93 Y94 S177 Y178 M180 F209 M213 A216	L80-I190 HydrophobicContact CD2-CD1 3.87Å; L80-I190 HydrophobicContact CD2-CG1 4.15Å; L80-I190 HydrophobicContact CD2-CG2 3.64Å; V92-I190 HydrophobicContact CG1-CG2 4Å; S93-I190 WeakPolarHBondContact O-CA 3.32Å; Y94-I190 HydrophobicContact CD2-CD1 4.48Å; Y94-I190 HydrophobicContact CD2-CG1 3.64Å; Y94-I190 HydrophobicContact CE2-CG1 4.36Å; Y94-I190 HydrophobicContact CG-CG1 4.49Å; S177-I190 CarbonylContact C-O 3.49Å; S177-I190 WeakPolarHBondContact CA-O 3.32Å; Y178-I190 PolarHBondContact N-O 2.87Å; Y178-I190 PolarHBondContact O-N 2.78Å; M180-I190 HydrophobicContact CE-CD1 3.87Å; M180-I190 HydrophobicContact CG-CD1 4.29Å; M180-I190 HydrophobicContact CG-CG1 4.45Å; M180-I190 HydrophobicContact SD-CD1 3.81Å; I190-F209 HydrophobicContact CG2-CE2 4.31Å; I190-F209 HydrophobicContact CG2-CZ 4.27Å; I190-M213 HydrophobicContact CB-SD 4.07Å; I190-M213 HydrophobicContact CD1-SD 3.49Å; I190-M213 WeakPolarHBondContact CD1-SD 3.12Å; I190-M213 HydrophobicContact CG1-SD 4.37Å; I190-M213 HydrophobicContact CG2-SD 3.85Å; I190-A216 HydrophobicContact CD1-CB 3.66Å
191	M	94.4	Very high	90	Very high	20 Å²	20	47.9 Å²	47.9	10%	0.099	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.6	179.3	-173.9	172.6	67	0	0	110.2	V92 S93 Y95 V139 V175 M176 L193	V92-M191 CarbonylContact C-O 3.53Å; V92-M191 WeakPolarHBondContact CA-O 3.47Å; S93-M191 PolarHBondContact N-O 2.98Å; S93-M191 PolarHBondContact O-N 3.22Å; Y95-M191 HydrophobicContact CE2-CB 4.2Å; Y95-M191 HydrophobicContact CE2-CE 3.89Å; Y95-M191 WeakPolarHBondContact OH-CE 3.41Å; V139-M191 HydrophobicContact CG2-CE 4.39Å; V139-M191 HydrophobicContact CG2-SD 3.67Å; V175-M191 HydrophobicContact CG1-CG 3.71Å; V175-M191 HydrophobicContact CG1-SD 3.97Å; M176-M191 WeakPolarHBondContact O-CA 3.46Å; M191-L193 HydrophobicContact CE-CD1 4.17Å; M191-L193 HydrophobicContact CE-CD2 3.84Å; M191-L193 HydrophobicContact CE-CG 4.23Å; M191-L193 HydrophobicContact CG-CD2 3.88Å; M191-L193 HydrophobicContact CG-CG 4.48Å; M191-L193 HydrophobicContact SD-CD2 3.87Å
192	V	94.4	Very high	89.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.4	177.7	-178.3	0	0	0	0	108	A89 V92 V175 M176 F201 F209	A89-V192 HydrophobicContact CB-CG1 3.26Å; V92-V192 HydrophobicContact CG1-CG2 4.13Å; V92-V192 HydrophobicContact CG2-CG1 4.23Å; V92-V192 HydrophobicContact CG2-CG2 4.13Å; V175-V192 WeakPolarHBondContact CA-O 3.31Å; M176-V192 HydrophobicContact CB-CB 4.39Å; M176-V192 PolarHBondContact N-O 3.13Å; M176-V192 PolarHBondContact O-N 3.5Å; V192-F201 HydrophobicContact CG1-CE1 4.19Å; V192-F201 HydrophobicContact CG1-CZ 3.78Å; V192-F209 HydrophobicContact CG2-CD2 4.13Å; V192-F209 HydrophobicContact CG2-CE2 3.42Å; V192-F209 VanDerWaalsContact CG2-CE2 3.42Å; V192-F209 HydrophobicContact CG2-CZ 3.67Å
193	L	92.9	Very high	89.8	Confident	12 Å²	12	52.4 Å²	52.4	6%	0.063	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.1	-174.8	-56.6	180	0	0	0	110.7	D90 R91 Y170 T172 V175 M191	D90-L193 PolarHBondContact N-O 2.97Å; R91-L193 HydrophobicContact CB-CB 4.28Å; R91-L193 HydrophobicContact CB-CD1 4.39Å; R91-L193 PolarHBondContact N-O 3.38Å; R91-L193 PolarHBondContact O-N 2.68Å; Y170-L193 HydrophobicContact CE1-CD1 4.31Å; T172-L193 HydrophobicContact CG2-CD2 3.96Å; V175-L193 HydrophobicContact CB-CD2 4.39Å; V175-L193 HydrophobicContact CG1-CD2 4.15Å; V175-L193 HydrophobicContact CG2-CD2 3.65Å; M191-L193 HydrophobicContact CE-CD1 4.17Å; M191-L193 HydrophobicContact CE-CD2 3.84Å; M191-L193 HydrophobicContact CE-CG 4.23Å; M191-L193 HydrophobicContact CG-CD2 3.88Å; M191-L193 HydrophobicContact CG-CG 4.48Å; M191-L193 HydrophobicContact SD-CD2 3.87Å
194	N	91.8	Very high	89.8	Confident	15 Å²	15	50.2 Å²	50.2	8%	0.08	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	53.2	110.4	167.4	-67.9	-18.2	0	0	0	115.7	D90 Y170 K171 K173 C174	D90-N194 HydrophobicContact CB-CB 4.03Å; D90-N194 PolarHBondContact N-O 2.74Å; Y170-N194 WeakPolarHBondContact CE1-ND2 2.85Å; Y170-N194 PolarHBondContact OH-ND2 2.93Å; K171-N194 PolarHBondContact O-ND2 3.27Å; K173-N194 WeakPolarHBondContact CA-OD1 3.4Å; K173-N194 VanDerWaalsContact CB-OD1 3.29Å; K173-N194 WeakPolarHBondContact CB-OD1 3.49Å; K173-N194 PolarHBondContact N-OD1 3.03Å; C174-N194 PolarHBondContact N-OD1 3.21Å; C174-N194 PolarHBondContact O-N 2.92Å
195	K	90.8	Very high	89.8	Confident	29 Å²	29	43.2 Å²	43.2	13%	0.126	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	131.4	169.9	-173.1	70.9	178.3	-158.8	0	110.5	L87 Q88 C174 A198 F201 D205	L87-K195 WeakPolarHBondContact O-CD 3.27Å; L87-K195 VanDerWaalsContact O-CE 3.26Å; L87-K195 WeakPolarHBondContact O-CE 3.44Å; L87-K195 PolarHBondContact O-NZ 2.69Å; Q88-K195 HydrophobicContact CB-CD 4.46Å; C174-K195 PolarHBondContact SG-N 3.17Å; K195-A198 HydrophobicContact CG-CB 3.93Å; K195-F201 HydrophobicContact CB-CD1 4.05Å; K195-F201 HydrophobicContact CB-CE1 3.87Å; K195-F201 HydrophobicContact CB-CG 4.47Å; K195-F201 HydrophobicContact CB-CZ 4.15Å; K195-F201 HydrophobicContact CD-CD1 3.71Å; K195-F201 HydrophobicContact CD-CE1 3.72Å; K195-F201 HydrophobicContact CG-CD1 4.36Å; K195-F201 HydrophobicContact CG-CE1 4.38Å; K195-D205 IonicContact NZ-OD1 3.23Å; K195-D205 PolarHBondContact NZ-OD1 3.47Å; K195-D205 IonicContact NZ-OD2 2.72Å; K195-D205 PolarHBondContact NZ-OD2 2.99Å
196	I	86.1	Confident	89.9	Confident	91 Å²	91	41.1 Å²	41.1	47%	0.467	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	124.9	174.5	-58.4	170.8	0	0	0	108	Q88 D90	Q88-I196 HydrophobicContact CB-CB 4.44Å; Q88-I196 VanDerWaalsContact O-CB 3.3Å; Q88-I196 WeakPolarHBondContact O-CB 3.49Å; Q88-I196 WeakPolarHBondContact O-CG1 3.45Å; Q88-I196 PolarHBondContact O-N 3.36Å; D90-I196 HydrophobicContact CB-CG1 4.2Å
197	G	82.2	Confident	89.7	Confident	87 Å²	87	47.5 Å²	47.5	90%	0.897	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	2.3	177.3	0	0	0	0	0	115.7
198	A	84	Confident	89.5	Confident	53 Å²	53	48.8 Å²	48.8	44%	0.438	28%	0.284	S	S	.	.	S	Bend	trans	-148.5	164.2	172.1	0	0	0	0	0	111.4	K195	K195-A198 HydrophobicContact CG-CB 3.93Å
199	D	83.9	Confident	89.4	Confident	131 Å²	131	49 Å²	49	70%	0.701	28%	0.284	S	S	*	.	S	Bend	trans	-83	-22	-177.3	-68.7	-40.8	0	0	0	113.8	C174	C174-D199 PolarHBondContact SG-O 3.08Å; C174-D199 VanDerWaalsContact SG-O 3.39Å
200	A	89.4	Confident	89.1	Confident	34 Å²	34	51.4 Å²	51.4	28%	0.281	30%	0.296	S	S	.	.	S	Bend	trans	-148.4	160.4	-177.5	0	0	0	0	0	112.7	P152	P152-A200 HydrophobicContact CB-CB 3.64Å
201	F	90.5	Very high	88.8	Confident	9 Å²	9	56 Å²	56	4%	0.039	32%	0.316	C	S	.	.			trans	-79.6	139.3	172.7	-64	-77.5	0	0	0	111.5	A89 C174 M176 V192 K195 D205	A89-F201 HydrophobicContact CB-CE1 4.22Å; A89-F201 HydrophobicContact CB-CZ 4.22Å; C174-F201 HydrophobicContact CB-CD2 4.39Å; M176-F201 HydrophobicContact CE-CB 3.91Å; M176-F201 HydrophobicContact CE-CD1 3.38Å; M176-F201 HydrophobicContact CE-CD2 4.04Å; M176-F201 HydrophobicContact CE-CE1 3.84Å; M176-F201 HydrophobicContact CE-CE2 4.42Å; M176-F201 HydrophobicContact CE-CG 3.5Å; M176-F201 HydrophobicContact CE-CZ 4.34Å; M176-F201 HydrophobicContact CG-CB 4Å; M176-F201 HydrophobicContact CG-CD2 3.69Å; M176-F201 HydrophobicContact CG-CE2 4.36Å; M176-F201 HydrophobicContact CG-CG 3.89Å; M176-F201 HydrophobicContact SD-CB 3.58Å; M176-F201 VanDerWaalsContact SD-CB 3.58Å; M176-F201 HydrophobicContact SD-CD1 4.24Å; M176-F201 HydrophobicContact SD-CD2 4.22Å; M176-F201 HydrophobicContact SD-CG 3.77Å; V192-F201 HydrophobicContact CG1-CE1 4.19Å; V192-F201 HydrophobicContact CG1-CZ 3.78Å; K195-F201 HydrophobicContact CB-CD1 4.05Å; K195-F201 HydrophobicContact CB-CE1 3.87Å; K195-F201 HydrophobicContact CB-CG 4.47Å; K195-F201 HydrophobicContact CB-CZ 4.15Å; K195-F201 HydrophobicContact CD-CD1 3.71Å; K195-F201 HydrophobicContact CD-CE1 3.72Å; K195-F201 HydrophobicContact CG-CD1 4.36Å; K195-F201 HydrophobicContact CG-CE1 4.38Å; F201-D205 HydrophobicContact CB-CB 4.21Å; F201-D205 HydrophobicContact CD1-CB 4.34Å
202	T	89.6	Confident	88.5	Confident	59 Å²	59	55.2 Å²	55.2	36%	0.362	31%	0.312	S	S	.	.			trans	-86.1	165.6	-179.6	78.2	0	0	0	0	112.7	E204 D205 E206	T202-E204 VanDerWaalsContact CB-OE2 3.3Å; T202-E204 WeakPolarHBondContact CB-OE2 3.05Å; T202-E204 PolarHBondContact O-N 3.14Å; T202-E204 PolarHBondContact OG1-N 2.89Å; T202-E204 PolarHBondContact OG1-OE2 2.93Å; T202-D205 PolarHBondContact N-OD2 3.47Å; T202-D205 VanDerWaalsContact N-OD2 3.12Å; T202-D205 WeakPolarHBondContact O-CB 3.48Å; T202-D205 PolarHBondContact O-N 3.19Å; T202-D205 VanDerWaalsContact O-N 3.13Å; T202-D205 PolarHBondContact OG1-N 2.65Å; T202-E206 PolarHBondContact O-N 3.46Å
203	P	88.4	Confident	88.4	Confident	82 Å²	82	55.2 Å²	55.2	53%	0.532	31%	0.312	S	S	.	.	H	α-helix	trans	-60.2	-25.7	171.2	-24.6	35.9	0	0	0	113.8	K207	P203-K207 WeakPolarHBondContact O-CG 3.41Å; P203-K207 PolarHBondContact O-N 3.24Å; P203-K207 VanDerWaalsContact O-N 3.16Å
204	E	85.8	Confident	88.3	Confident	121 Å²	121	58.3 Å²	58.3	57%	0.565	33%	0.331	S	S	*	.	H	α-helix	trans	-71.6	-42.6	172	-62.2	72.7	-154.6	0	0	111.6	T202 E206 K207 L208	T202-E204 VanDerWaalsContact CB-OE2 3.3Å; T202-E204 WeakPolarHBondContact CB-OE2 3.05Å; T202-E204 PolarHBondContact O-N 3.14Å; T202-E204 PolarHBondContact OG1-N 2.89Å; T202-E204 PolarHBondContact OG1-OE2 2.93Å; E204-E206 PolarHBondContact O-N 2.84Å; E204-K207 PolarHBondContact O-N 3.21Å; E204-L208 WeakPolarHBondContact O-CB 3.19Å; E204-L208 PolarHBondContact O-N 2.92Å
205	D	87.3	Confident	88.2	Confident	18 Å²	18	59.2 Å²	59.2	10%	0.096	33%	0.334	C	S	.	.	H	α-helix	trans	-57.8	-40.7	172.4	-73	-36.8	0	0	0	110.6	L87 M176 K195 F201 T202 L208 F209	L87-D205 HydrophobicContact CD2-CB 4.16Å; L87-D205 WeakPolarHBondContact CD2-O 3.38Å; M176-D205 HydrophobicContact CE-CB 4.43Å; K195-D205 IonicContact NZ-OD1 3.23Å; K195-D205 PolarHBondContact NZ-OD1 3.47Å; K195-D205 IonicContact NZ-OD2 2.72Å; K195-D205 PolarHBondContact NZ-OD2 2.99Å; F201-D205 HydrophobicContact CB-CB 4.21Å; F201-D205 HydrophobicContact CD1-CB 4.34Å; T202-D205 PolarHBondContact N-OD2 3.47Å; T202-D205 VanDerWaalsContact N-OD2 3.12Å; T202-D205 WeakPolarHBondContact O-CB 3.48Å; T202-D205 PolarHBondContact O-N 3.19Å; T202-D205 VanDerWaalsContact O-N 3.13Å; T202-D205 PolarHBondContact OG1-N 2.65Å; D205-L208 PolarHBondContact O-N 3.46Å; D205-F209 VanDerWaalsContact O-CB 3.26Å; D205-F209 WeakPolarHBondContact O-CB 3.28Å; D205-F209 PolarHBondContact O-N 2.65Å
206	E	88.9	Confident	88.2	Confident	62 Å²	62	57.8 Å²	57.8	29%	0.29	33%	0.328	S	S	.	.	H	α-helix	trans	-60.6	-51.6	175.9	-175.7	176.7	171.8	0	0	111.1	M176 T202 E204 L208 F209 H210	M176-E206 HydrophobicContact SD-CB 4.42Å; T202-E206 PolarHBondContact O-N 3.46Å; E204-E206 PolarHBondContact O-N 2.84Å; E206-L208 VanDerWaalsContact C-N 3.27Å; E206-L208 PolarHBondContact O-N 3.45Å; E206-F209 WeakPolarHBondContact O-CB 3.4Å; E206-F209 PolarHBondContact O-N 3.44Å; E206-H210 WeakPolarHBondContact CG-CE1 3.16Å; E206-H210 PolarHBondContact O-N 2.83Å; E206-H210 PolarHBondContact O-ND1 3.45Å; E206-H210 IonicContact OE1-CE1 2.94Å
207	K	88.1	Confident	88.5	Confident	154 Å²	154	54.9 Å²	54.9	67%	0.67	31%	0.313	S	S	*	.	H	α-helix	trans	-58.5	-39.9	177	-72.5	174.2	-176.2	171.6	0	112.4	P203 E204 H210 K211	P203-K207 WeakPolarHBondContact O-CG 3.41Å; P203-K207 PolarHBondContact O-N 3.24Å; P203-K207 VanDerWaalsContact O-N 3.16Å; E204-K207 PolarHBondContact O-N 3.21Å; K207-H210 PolarHBondContact O-N 3.43Å; K207-K211 PolarHBondContact O-N 3.19Å; K207-K211 VanDerWaalsContact O-N 3.12Å
208	L	87.1	Confident	88.8	Confident	48 Å²	48	54 Å²	54	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-67.2	-43.9	179.1	-166.7	57.8	0	0	0	111.1	I86 L87 E204 D205 E206 H210 K211 Y212	I86-L208 HydrophobicContact CG2-CD1 4.32Å; I86-L208 HydrophobicContact CG2-CD2 3.31Å; I86-L208 HydrophobicContact CG2-CG 3.74Å; L87-L208 HydrophobicContact CD2-CB 4.11Å; L87-L208 HydrophobicContact CD2-CD2 4.22Å; L87-L208 HydrophobicContact CD2-CG 4.28Å; E204-L208 WeakPolarHBondContact O-CB 3.19Å; E204-L208 PolarHBondContact O-N 2.92Å; D205-L208 PolarHBondContact O-N 3.46Å; E206-L208 VanDerWaalsContact C-N 3.27Å; E206-L208 PolarHBondContact O-N 3.45Å; L208-H210 PolarHBondContact O-N 2.88Å; L208-K211 WeakPolarHBondContact O-CB 3.5Å; L208-K211 PolarHBondContact O-N 2.91Å; L208-Y212 HydrophobicContact CD1-CD2 4.01Å; L208-Y212 HydrophobicContact CD1-CE2 3.62Å; L208-Y212 HydrophobicContact CG-CD2 4.21Å; L208-Y212 HydrophobicContact CG-CE2 4.19Å; L208-Y212 WeakPolarHBondContact O-CD2 3.09Å; L208-Y212 PolarHBondContact O-N 3.44Å; L208-Y212 VanDerWaalsContact O-N 3.12Å
209	F	90.2	Very high	89.1	Confident	3 Å²	3	51.8 Å²	51.8	1%	0.013	27%	0.27	C	S	.	.	H	α-helix	trans	-56.3	-49.1	174.1	-178.9	-134.2	0	0	0	110.9	T83 L87 M176 Y178 I190 V192 D205 E206 K211 Y212 M213	T83-F209 HydrophobicContact CG2-CD2 3.87Å; T83-F209 HydrophobicContact CG2-CE2 4.16Å; L87-F209 HydrophobicContact CD1-CB 3.78Å; L87-F209 HydrophobicContact CD1-CD2 3.63Å; L87-F209 HydrophobicContact CD1-CG 3.98Å; L87-F209 HydrophobicContact CD2-CB 4.28Å; M176-F209 HydrophobicContact CB-CD1 4.24Å; M176-F209 HydrophobicContact CB-CE1 4.08Å; M176-F209 HydrophobicContact CE-CB 4.26Å; M176-F209 HydrophobicContact CE-CD1 4.36Å; M176-F209 HydrophobicContact CE-CG 4.33Å; M176-F209 HydrophobicContact SD-CD1 4.47Å; Y178-F209 HydrophobicContact CD2-CE1 4.49Å; Y178-F209 HydrophobicContact CG-CE1 4.46Å; I190-F209 HydrophobicContact CG2-CE2 4.31Å; I190-F209 HydrophobicContact CG2-CZ 4.27Å; V192-F209 HydrophobicContact CG2-CD2 4.13Å; V192-F209 HydrophobicContact CG2-CE2 3.42Å; V192-F209 VanDerWaalsContact CG2-CE2 3.42Å; V192-F209 HydrophobicContact CG2-CZ 3.67Å; D205-F209 VanDerWaalsContact O-CB 3.26Å; D205-F209 WeakPolarHBondContact O-CB 3.28Å; D205-F209 PolarHBondContact O-N 2.65Å; E206-F209 WeakPolarHBondContact O-CB 3.4Å; E206-F209 PolarHBondContact O-N 3.44Å; F209-K211 VanDerWaalsContact C-N 3.34Å; F209-K211 PolarHBondContact O-N 3.11Å; F209-Y212 PolarHBondContact O-N 3.4Å; F209-M213 HydrophobicContact CD1-CG 4.49Å; F209-M213 HydrophobicContact CD2-CE 3.88Å; F209-M213 HydrophobicContact CD2-CG 3.66Å; F209-M213 HydrophobicContact CD2-SD 4.02Å; F209-M213 HydrophobicContact CE1-CG 4.33Å; F209-M213 HydrophobicContact CE2-CE 3.64Å; F209-M213 HydrophobicContact CE2-CG 3.45Å; F209-M213 VanDerWaalsContact CE2-CG 3.45Å; F209-M213 HydrophobicContact CE2-SD 3.36Å; F209-M213 WeakPolarHBondContact CE2-SD 3.13Å; F209-M213 HydrophobicContact CG-CG 4.19Å; F209-M213 HydrophobicContact CZ-CG 3.81Å; F209-M213 HydrophobicContact CZ-SD 3.9Å; F209-M213 WeakPolarHBondContact O-CB 3.31Å; F209-M213 WeakPolarHBondContact O-CG 3.42Å; F209-M213 PolarHBondContact O-N 3.07Å
210	H	90.4	Very high	89.4	Confident	52 Å²	52	45.7 Å²	45.7	24%	0.241	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-43.2	177.5	-73	66.1	0	0	0	112.8	P148 Y178 E206 K207 L208 Y212 M213 T214	P148-H210 WeakPolarHBondContact CG-NE2 3.44Å; Y178-H210 HydrophobicContact CE2-CB 4.23Å; Y178-H210 AromaticContact CE2-CD2 3.51Å; Y178-H210 AromaticContact CE2-CG 3.81Å; E206-H210 WeakPolarHBondContact CG-CE1 3.16Å; E206-H210 PolarHBondContact O-N 2.83Å; E206-H210 PolarHBondContact O-ND1 3.45Å; E206-H210 IonicContact OE1-CE1 2.94Å; K207-H210 PolarHBondContact O-N 3.43Å; L208-H210 PolarHBondContact O-N 2.88Å; H210-Y212 PolarHBondContact O-N 3.44Å; H210-M213 PolarHBondContact O-N 2.82Å; H210-T214 PolarHBondContact O-N 3.31Å; H210-T214 PolarHBondContact O-OG1 3.3Å
211	K	88.6	Confident	89.4	Confident	97 Å²	97	47.4 Å²	47.4	42%	0.422	24%	0.242	S	C	.	.	H	α-helix	trans	-58.2	-47.7	177.8	-177.2	-174.6	176.1	-173	0	111.1	E55 K207 L208 F209 T214	E55-K211 IonicContact OE1-NZ 3.34Å; E55-K211 PolarHBondContact OE1-NZ 3.39Å; K207-K211 PolarHBondContact O-N 3.19Å; K207-K211 VanDerWaalsContact O-N 3.12Å; L208-K211 WeakPolarHBondContact O-CB 3.5Å; L208-K211 PolarHBondContact O-N 2.91Å; F209-K211 VanDerWaalsContact C-N 3.34Å; F209-K211 PolarHBondContact O-N 3.11Å; K211-T214 WeakPolarHBondContact O-CB 3.3Å; K211-T214 PolarHBondContact O-N 3.13Å; K211-T214 PolarHBondContact O-OG1 3.08Å
212	Y	88.9	Confident	89.3	Confident	3 Å²	3	52.6 Å²	52.6	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-77.3	-29.7	-178.5	-77.3	-78.8	0	0	0	113.6	E55 I58 I59 L62 I86 L208 F209 H210 T214 F215	E55-Y212 WeakPolarHBondContact CG-OH 3.45Å; I58-Y212 HydrophobicContact CG2-CE1 4.31Å; I59-Y212 HydrophobicContact CG1-CE1 4Å; L62-Y212 HydrophobicContact CD1-CD1 3.6Å; L62-Y212 HydrophobicContact CD1-CE1 3.87Å; I86-Y212 HydrophobicContact CD1-CD1 4.21Å; I86-Y212 HydrophobicContact CD1-CD2 4.18Å; I86-Y212 HydrophobicContact CD1-CE1 3.68Å; I86-Y212 HydrophobicContact CD1-CE2 3.66Å; I86-Y212 HydrophobicContact CD1-CG 4.44Å; I86-Y212 HydrophobicContact CG2-CE2 4.21Å; L208-Y212 HydrophobicContact CD1-CD2 4.01Å; L208-Y212 HydrophobicContact CD1-CE2 3.62Å; L208-Y212 HydrophobicContact CG-CD2 4.21Å; L208-Y212 HydrophobicContact CG-CE2 4.19Å; L208-Y212 WeakPolarHBondContact O-CD2 3.09Å; L208-Y212 PolarHBondContact O-N 3.44Å; L208-Y212 VanDerWaalsContact O-N 3.12Å; F209-Y212 PolarHBondContact O-N 3.4Å; H210-Y212 PolarHBondContact O-N 3.44Å; Y212-T214 PolarHBondContact O-N 3.01Å; Y212-F215 HydrophobicContact CD1-CD2 4.3Å; Y212-F215 HydrophobicContact CD1-CE2 4.37Å; Y212-F215 WeakPolarHBondContact O-CB 3.48Å; Y212-F215 PolarHBondContact O-N 3.24Å; Y212-F215 VanDerWaalsContact O-N 3.07Å
213	M	92.1	Very high	89.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-21	173.1	-71.7	-50.3	92	0	0	112.9	T83 Y178 M180 I190 F209 H210 F215 A216 Q217	T83-M213 HydrophobicContact CG2-CE 3.6Å; T83-M213 WeakPolarHBondContact OG1-CE 3.42Å; Y178-M213 HydrophobicContact CD1-CB 3.9Å; Y178-M213 HydrophobicContact CD1-CG 4.14Å; Y178-M213 HydrophobicContact CD2-CB 4.05Å; Y178-M213 HydrophobicContact CD2-CG 4.04Å; Y178-M213 HydrophobicContact CE1-CB 4Å; Y178-M213 HydrophobicContact CE2-CB 4.14Å; Y178-M213 HydrophobicContact CG-CB 3.93Å; Y178-M213 HydrophobicContact CG-CG 3.78Å; M180-M213 HydrophobicContact CE-CB 4.25Å; I190-M213 HydrophobicContact CB-SD 4.07Å; I190-M213 HydrophobicContact CD1-SD 3.49Å; I190-M213 WeakPolarHBondContact CD1-SD 3.12Å; I190-M213 HydrophobicContact CG1-SD 4.37Å; I190-M213 HydrophobicContact CG2-SD 3.85Å; F209-M213 HydrophobicContact CD1-CG 4.49Å; F209-M213 HydrophobicContact CD2-CE 3.88Å; F209-M213 HydrophobicContact CD2-CG 3.66Å; F209-M213 HydrophobicContact CD2-SD 4.02Å; F209-M213 HydrophobicContact CE1-CG 4.33Å; F209-M213 HydrophobicContact CE2-CE 3.64Å; F209-M213 HydrophobicContact CE2-CG 3.45Å; F209-M213 VanDerWaalsContact CE2-CG 3.45Å; F209-M213 HydrophobicContact CE2-SD 3.36Å; F209-M213 WeakPolarHBondContact CE2-SD 3.13Å; F209-M213 HydrophobicContact CG-CG 4.19Å; F209-M213 HydrophobicContact CZ-CG 3.81Å; F209-M213 HydrophobicContact CZ-SD 3.9Å; F209-M213 WeakPolarHBondContact O-CB 3.31Å; F209-M213 WeakPolarHBondContact O-CG 3.42Å; F209-M213 PolarHBondContact O-N 3.07Å; H210-M213 PolarHBondContact O-N 2.82Å; M213-F215 PolarHBondContact O-N 2.95Å; M213-A216 PolarHBondContact O-N 2.92Å; M213-Q217 VanDerWaalsContact O-CB 3.26Å; M213-Q217 WeakPolarHBondContact O-CB 3.39Å; M213-Q217 PolarHBondContact O-N 3.35Å
214	T	89.9	Confident	89.2	Confident	76 Å²	76	52 Å²	52	47%	0.466	25%	0.249	S	C	.	.	H	α-helix	trans	-60.3	-34.4	172.2	-55.1	0	0	0	0	112	H210 K211 Y212 Q217 V218	H210-T214 PolarHBondContact O-N 3.31Å; H210-T214 PolarHBondContact O-OG1 3.3Å; K211-T214 WeakPolarHBondContact O-CB 3.3Å; K211-T214 PolarHBondContact O-N 3.13Å; K211-T214 PolarHBondContact O-OG1 3.08Å; Y212-T214 PolarHBondContact O-N 3.01Å; T214-Q217 WeakPolarHBondContact O-CB 3.39Å; T214-Q217 PolarHBondContact O-N 3.4Å; T214-V218 WeakPolarHBondContact O-CG2 3.02Å; T214-V218 PolarHBondContact O-N 2.97Å; T214-V218 VanDerWaalsContact O-N 3.08Å
215	F	90.2	Very high	89.3	Confident	34 Å²	34	50.3 Å²	50.3	15%	0.149	25%	0.248	C	C	.	.	H	α-helix	trans	-68.1	-46.2	175.3	-66.6	-89.8	0	0	0	111.5	I59 L62 L63 L66 Y212 M213 Q217 V218 I219	I59-F215 HydrophobicContact CG2-CZ 4Å; L62-F215 HydrophobicContact CB-CD1 4.08Å; L62-F215 HydrophobicContact CB-CE1 4.41Å; L62-F215 HydrophobicContact CB-CG 4.41Å; L62-F215 HydrophobicContact CD1-CD2 4.22Å; L62-F215 HydrophobicContact CD1-CG 4.27Å; L63-F215 HydrophobicContact CD2-CE1 3.91Å; L63-F215 HydrophobicContact CG-CE1 4.04Å; L66-F215 HydrophobicContact CD1-CD1 3.63Å; L66-F215 HydrophobicContact CD1-CE1 4.27Å; Y212-F215 HydrophobicContact CD1-CD2 4.3Å; Y212-F215 HydrophobicContact CD1-CE2 4.37Å; Y212-F215 WeakPolarHBondContact O-CB 3.48Å; Y212-F215 PolarHBondContact O-N 3.24Å; Y212-F215 VanDerWaalsContact O-N 3.07Å; M213-F215 PolarHBondContact O-N 2.95Å; F215-Q217 VanDerWaalsContact C-N 3.27Å; F215-Q217 PolarHBondContact O-N 3.46Å; F215-V218 PolarHBondContact O-N 3.21Å; F215-I219 WeakPolarHBondContact O-CG1 3.31Å; F215-I219 PolarHBondContact O-N 3.34Å; F215-I219 VanDerWaalsContact O-N 3.13Å
216	A	90.7	Very high	89.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-39.8	175	0	0	0	0	0	111.7	L76 V79 M180 I190 M213 I219 C220	L76-A216 HydrophobicContact CD2-CB 3.81Å; V79-A216 HydrophobicContact CG1-CB 4.03Å; M180-A216 HydrophobicContact SD-CB 3.94Å; I190-A216 HydrophobicContact CD1-CB 3.66Å; M213-A216 PolarHBondContact O-N 2.92Å; A216-I219 PolarHBondContact O-N 2.94Å; A216-C220 PolarHBondContact O-N 3.27Å; A216-C220 PolarHBondContact O-SG 2.92Å
217	Q	91.6	Very high	89.3	Confident	30 Å²	30	51.5 Å²	51.5	14%	0.14	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-44.8	177.3	178.1	61.9	72.2	0	0	112.3	M180 M181 M213 T214 F215 C220 L221	M180-Q217 HydrophobicContact SD-CB 4.22Å; M181-Q217 PolarHBondContact O-NE2 3.42Å; M213-Q217 VanDerWaalsContact O-CB 3.26Å; M213-Q217 WeakPolarHBondContact O-CB 3.39Å; M213-Q217 PolarHBondContact O-N 3.35Å; T214-Q217 WeakPolarHBondContact O-CB 3.39Å; T214-Q217 PolarHBondContact O-N 3.4Å; F215-Q217 VanDerWaalsContact C-N 3.27Å; F215-Q217 PolarHBondContact O-N 3.46Å; Q217-C220 PolarHBondContact O-N 3.48Å; Q217-L221 VanDerWaalsContact O-CB 3.3Å; Q217-L221 WeakPolarHBondContact O-CB 3.33Å; Q217-L221 PolarHBondContact O-N 3.01Å
218	V	90.2	Very high	89.4	Confident	69 Å²	69	46.3 Å²	46.3	42%	0.418	24%	0.24	S	C	.	.	H	α-helix	trans	-64.5	-42.7	177	172.7	0	0	0	0	110.9	L66 T214 F215 L221 Q222	L66-V218 HydrophobicContact CD2-CB 4.17Å; L66-V218 HydrophobicContact CD2-CG1 3.8Å; T214-V218 WeakPolarHBondContact O-CG2 3.02Å; T214-V218 PolarHBondContact O-N 2.97Å; T214-V218 VanDerWaalsContact O-N 3.08Å; F215-V218 PolarHBondContact O-N 3.21Å; V218-L221 PolarHBondContact O-N 3.3Å; V218-Q222 WeakPolarHBondContact O-CB 3.2Å; V218-Q222 PolarHBondContact O-N 3.37Å
219	I	89.4	Confident	89.5	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-49.6	176	-65.8	165.5	0	0	0	110.6	L66 V72 N75 L76 V79 F215 A216 L221 Q222 Y223	L66-I219 HydrophobicContact CD2-CD1 4.16Å; L66-I219 HydrophobicContact CD2-CG1 3.36Å; L66-I219 HydrophobicContact CG-CG1 4.23Å; V72-I219 HydrophobicContact CG1-CG2 3.85Å; N75-I219 HydrophobicContact CB-CD1 4.11Å; N75-I219 HydrophobicContact CB-CG2 4.17Å; L76-I219 HydrophobicContact CD2-CB 4.48Å; L76-I219 HydrophobicContact CD2-CG2 4.35Å; L76-I219 HydrophobicContact CG-CG2 4.04Å; V79-I219 HydrophobicContact CG2-CD1 3.59Å; F215-I219 WeakPolarHBondContact O-CG1 3.31Å; F215-I219 PolarHBondContact O-N 3.34Å; F215-I219 VanDerWaalsContact O-N 3.13Å; A216-I219 PolarHBondContact O-N 2.94Å; I219-L221 VanDerWaalsContact C-N 3.33Å; I219-L221 PolarHBondContact O-N 3.34Å; I219-Q222 PolarHBondContact O-N 2.95Å; I219-Y223 WeakPolarHBondContact O-CB 3.28Å; I219-Y223 PolarHBondContact O-N 3.2Å
220	C	89.3	Confident	89.5	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-41.8	179.6	-66.6	0	0	0	0	111.6	M180 L187 A216 Q217 Y223 H224	M180-C220 HydrophobicContact CB-CB 4.47Å; L187-C220 HydrophobicContact CD1-CB 3.96Å; A216-C220 PolarHBondContact O-N 3.27Å; A216-C220 PolarHBondContact O-SG 2.92Å; Q217-C220 PolarHBondContact O-N 3.48Å; C220-Y223 PolarHBondContact O-N 3.38Å; C220-H224 VanDerWaalsContact O-CB 3.28Å; C220-H224 WeakPolarHBondContact O-CB 3.48Å; C220-H224 PolarHBondContact O-N 3.15Å
221	L	90.4	Very high	89.4	Confident	71 Å²	71	52.5 Å²	52.5	37%	0.372	27%	0.268	S	S	.	.	H	α-helix	trans	-67.6	-42.8	-179.7	-173.2	67.2	0	0	0	112.1	A182 Q217 V218 I219 Y223 H224 T225	A182-L221 HydrophobicContact CB-CD1 3.82Å; Q217-L221 VanDerWaalsContact O-CB 3.3Å; Q217-L221 WeakPolarHBondContact O-CB 3.33Å; Q217-L221 PolarHBondContact O-N 3.01Å; V218-L221 PolarHBondContact O-N 3.3Å; I219-L221 VanDerWaalsContact C-N 3.33Å; I219-L221 PolarHBondContact O-N 3.34Å; L221-Y223 VanDerWaalsContact C-N 3.34Å; L221-H224 PolarHBondContact O-N 3.32Å; L221-T225 WeakPolarHBondContact O-CB 3.44Å; L221-T225 PolarHBondContact O-N 3.42Å; L221-T225 PolarHBondContact O-OG1 3.34Å
222	Q	88.4	Confident	89.3	Confident	118 Å²	118	51.3 Å²	51.3	55%	0.551	26%	0.264	S	S	*	.	H	α-helix	trans	-62	-44.2	176.3	-178.1	179.5	-0.3	0	0	110.9	V218 I219 T225 A226	V218-Q222 WeakPolarHBondContact O-CB 3.2Å; V218-Q222 PolarHBondContact O-N 3.37Å; I219-Q222 PolarHBondContact O-N 2.95Å; Q222-T225 PolarHBondContact O-N 2.9Å; Q222-A226 WeakPolarHBondContact O-CB 3.34Å; Q222-A226 PolarHBondContact O-N 3.48Å
223	Y	87	Confident	89.4	Confident	80 Å²	80	53 Å²	53	31%	0.314	28%	0.276	S	S	.	.	H	α-helix	trans	-61.1	-50.6	175.4	179	-116.2	0	0	0	112.1	V72 I219 C220 L221 T225 A226 Y227	V72-Y223 HydrophobicContact CB-CD2 4Å; V72-Y223 HydrophobicContact CB-CE2 4.47Å; V72-Y223 HydrophobicContact CB-CG 4.04Å; V72-Y223 HydrophobicContact CG1-CD1 4.28Å; V72-Y223 HydrophobicContact CG1-CD2 4.41Å; V72-Y223 HydrophobicContact CG1-CG 3.93Å; V72-Y223 HydrophobicContact CG2-CD2 3.42Å; V72-Y223 VanDerWaalsContact CG2-CD2 3.42Å; V72-Y223 HydrophobicContact CG2-CE2 4.2Å; V72-Y223 HydrophobicContact CG2-CG 3.69Å; I219-Y223 WeakPolarHBondContact O-CB 3.28Å; I219-Y223 PolarHBondContact O-N 3.2Å; C220-Y223 PolarHBondContact O-N 3.38Å; L221-Y223 VanDerWaalsContact C-N 3.34Å; Y223-T225 VanDerWaalsContact C-N 3.29Å; Y223-T225 PolarHBondContact O-N 3.14Å; Y223-A226 PolarHBondContact O-N 2.84Å; Y223-A226 VanDerWaalsContact O-N 3.17Å; Y223-Y227 WeakPolarHBondContact O-CB 3.49Å; Y223-Y227 PolarHBondContact O-N 2.92Å
224	H	88.4	Confident	89.3	Confident	48 Å²	48	53.6 Å²	53.6	22%	0.222	28%	0.279	C	S	.	.	H	α-helix	trans	-57.8	-44.4	179.7	178.1	68.4	0	0	0	110.9	L187 C220 L221 A226 Y227 M228	L187-H224 HydrophobicContact CD1-CB 3.93Å; L187-H224 HydrophobicContact CD2-CB 4.02Å; C220-H224 VanDerWaalsContact O-CB 3.28Å; C220-H224 WeakPolarHBondContact O-CB 3.48Å; C220-H224 PolarHBondContact O-N 3.15Å; L221-H224 PolarHBondContact O-N 3.32Å; H224-A226 PolarHBondContact O-N 3.02Å; H224-Y227 PolarHBondContact O-N 3.05Å; H224-M228 WeakPolarHBondContact O-CB 3.35Å; H224-M228 VanDerWaalsContact O-CG 3.26Å; H224-M228 WeakPolarHBondContact O-CG 3.3Å; H224-M228 PolarHBondContact O-N 2.89Å
225	T	89.3	Confident	89.3	Confident	86 Å²	86	54 Å²	54	53%	0.528	27%	0.272	S	S	.	.	H	α-helix	trans	-61.1	-45.2	177.1	-53.9	0	0	0	0	111.9	L221 Q222 Y223 F229	L221-T225 WeakPolarHBondContact O-CB 3.44Å; L221-T225 PolarHBondContact O-N 3.42Å; L221-T225 PolarHBondContact O-OG1 3.34Å; Q222-T225 PolarHBondContact O-N 2.9Å; Y223-T225 VanDerWaalsContact C-N 3.29Å; Y223-T225 PolarHBondContact O-N 3.14Å; T225-F229 WeakPolarHBondContact O-CB 3.31Å; T225-F229 PolarHBondContact O-N 3.2Å
226	A	88.8	Confident	89.3	Confident	61 Å²	61	55.6 Å²	55.6	50%	0.504	29%	0.287	S	S	.	.	H	α-helix	trans	-65.9	-38.5	177.6	0	0	0	0	0	112.3	Q222 Y223 H224 N230	Q222-A226 WeakPolarHBondContact O-CB 3.34Å; Q222-A226 PolarHBondContact O-N 3.48Å; Y223-A226 PolarHBondContact O-N 2.84Å; Y223-A226 VanDerWaalsContact O-N 3.17Å; H224-A226 PolarHBondContact O-N 3.02Å; A226-N230 PolarHBondContact O-N 2.91Å
227	Y	86.8	Confident	89.3	Confident	44 Å²	44	58.8 Å²	58.8	17%	0.173	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-50.3	175.5	-175.7	-105	0	0	0	111.4	Y223 H224 F229 N230 V231 R404 D411 Y413	Y223-Y227 WeakPolarHBondContact O-CB 3.49Å; Y223-Y227 PolarHBondContact O-N 2.92Å; H224-Y227 PolarHBondContact O-N 3.05Å; Y227-F229 VanDerWaalsContact C-N 3.31Å; Y227-F229 PolarHBondContact O-N 3.45Å; Y227-N230 WeakPolarHBondContact O-CA 3.48Å; Y227-N230 WeakPolarHBondContact O-CB 3.24Å; Y227-N230 PolarHBondContact O-N 2.9Å; Y227-V231 HydrophobicContact CD1-CG2 4.09Å; Y227-V231 HydrophobicContact CE1-CG2 3.68Å; Y227-V231 HydrophobicContact CE2-CG2 4.35Å; Y227-V231 WeakPolarHBondContact O-CG2 3.36Å; Y227-V231 PolarHBondContact O-N 2.87Å; Y227-R404 PolarHBondContact OH-NH2 3.15Å; Y227-D411 PolarHBondContact OH-OD2 3.22Å; Y227-Y413 AromaticContact CE1-CD2 3.79Å; Y227-Y413 HydrophobicContact CE1-CD2 3.79Å; Y227-Y413 HydrophobicContact CE1-CE2 4.02Å
228	M	88.8	Confident	89.3	Confident	45 Å²	45	57.4 Å²	57.4	22%	0.222	30%	0.295	C	S	.	.	H	α-helix	trans	-59.8	-40.9	177.6	-71	-53	-63.2	0	0	112.1	H224 N230 V231 E232 Y413	H224-M228 WeakPolarHBondContact O-CB 3.35Å; H224-M228 VanDerWaalsContact O-CG 3.26Å; H224-M228 WeakPolarHBondContact O-CG 3.3Å; H224-M228 PolarHBondContact O-N 2.89Å; M228-N230 VanDerWaalsContact C-N 3.32Å; M228-N230 PolarHBondContact O-N 3.27Å; M228-V231 PolarHBondContact O-N 2.89Å; M228-E232 WeakPolarHBondContact O-CB 3.31Å; M228-E232 WeakPolarHBondContact O-CG 3.26Å; M228-E232 PolarHBondContact O-N 3.21Å; M228-Y413 HydrophobicContact CE-CD1 4.47Å; M228-Y413 HydrophobicContact CE-CE1 3.68Å; M228-Y413 HydrophobicContact SD-CE1 3.78Å; M228-Y413 HydrophobicContact SD-CE2 4.18Å; M228-Y413 VanDerWaalsContact SD-CZ 3.53Å; M228-Y413 PolarHBondContact SD-OH 2.86Å
229	F	90.5	Very high	89.3	Confident	155 Å²	155	56.8 Å²	56.8	68%	0.68	29%	0.29	S	S	*	.	H	α-helix	trans	-61.1	-41	173.2	178.8	-96.4	0	0	0	112.2	T225 Y227 S233	T225-F229 WeakPolarHBondContact O-CB 3.31Å; T225-F229 PolarHBondContact O-N 3.2Å; Y227-F229 VanDerWaalsContact C-N 3.31Å; Y227-F229 PolarHBondContact O-N 3.45Å; F229-S233 VanDerWaalsContact O-CB 3.23Å; F229-S233 WeakPolarHBondContact O-CB 3.31Å; F229-S233 PolarHBondContact O-N 2.81Å
230	N	88.9	Confident	89.4	Confident	75 Å²	75	62.3 Å²	62.3	40%	0.401	32%	0.319	S	S	.	.	H	α-helix	trans	-64.8	-44.8	176.8	-174.4	-91.4	0	0	0	112	A226 Y227 M228 S233 R234	A226-N230 PolarHBondContact O-N 2.91Å; Y227-N230 WeakPolarHBondContact O-CA 3.48Å; Y227-N230 WeakPolarHBondContact O-CB 3.24Å; Y227-N230 PolarHBondContact O-N 2.9Å; M228-N230 VanDerWaalsContact C-N 3.32Å; M228-N230 PolarHBondContact O-N 3.27Å; N230-S233 PolarHBondContact O-N 2.83Å; N230-R234 WeakPolarHBondContact O-CB 3.17Å; N230-R234 WeakPolarHBondContact O-CG 3.28Å; N230-R234 PolarHBondContact O-N 2.77Å; N230-R234 WeakPolarHBondContact OD1-CD 3.38Å
231	V	88.3	Confident	89.5	Confident	3 Å²	3	67.5 Å²	67.5	2%	0.018	34%	0.338	C	S	.	.	H	α-helix	trans	-57.7	-50.8	176.1	167	0	0	0	0	110.7	Y227 M228 S233 R234 R235 Y413 I417	Y227-V231 HydrophobicContact CD1-CG2 4.09Å; Y227-V231 HydrophobicContact CE1-CG2 3.68Å; Y227-V231 HydrophobicContact CE2-CG2 4.35Å; Y227-V231 WeakPolarHBondContact O-CG2 3.36Å; Y227-V231 PolarHBondContact O-N 2.87Å; M228-V231 PolarHBondContact O-N 2.89Å; V231-S233 PolarHBondContact O-N 2.77Å; V231-R234 PolarHBondContact O-N 2.88Å; V231-R235 WeakPolarHBondContact O-CB 3.21Å; V231-R235 PolarHBondContact O-N 2.8Å; V231-Y413 HydrophobicContact CG1-CD1 3.89Å; V231-Y413 HydrophobicContact CG1-CG 3.97Å; V231-Y413 HydrophobicContact CG2-CG 4.25Å; V231-I417 HydrophobicContact CG1-CD1 4.25Å
232	E	88.1	Confident	89.5	Confident	72 Å²	72	64.1 Å²	64.1	34%	0.336	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-39.5	-179.9	-77.2	-61	155.8	0	0	112.9	M228 R235 S236	M228-E232 WeakPolarHBondContact O-CB 3.31Å; M228-E232 WeakPolarHBondContact O-CG 3.26Å; M228-E232 PolarHBondContact O-N 3.21Å; E232-R235 VanDerWaalsContact CD-NH2 3.3Å; E232-R235 PolarHBondContact O-N 3Å; E232-R235 IonicContact OE1-CZ 2.68Å; E232-R235 IonicContact OE1-NE 3.06Å; E232-R235 IonicContact OE1-NH2 3.46Å; E232-R235 PolarHBondContact OE1-NH2 2.81Å; E232-R235 VanDerWaalsContact OE1-NH2 3.1Å; E232-R235 IonicContact OE2-CZ 2.7Å; E232-R235 VanDerWaalsContact OE2-CZ 3.29Å; E232-R235 IonicContact OE2-NE 3.45Å; E232-R235 PolarHBondContact OE2-NE 3.41Å; E232-R235 IonicContact OE2-NH2 3.62Å; E232-R235 PolarHBondContact OE2-NH2 2.86Å; E232-S236 WeakPolarHBondContact O-CB 3.37Å; E232-S236 PolarHBondContact O-N 3.48Å; E232-S236 PolarHBondContact O-OG 3.25Å
233	S	90.6	Very high	89.5	Confident	38 Å²	38	59.4 Å²	59.4	27%	0.266	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-44.8	175.1	-174.1	0	0	0	0	111.5	F229 N230 V231 S236 Q237	F229-S233 VanDerWaalsContact O-CB 3.23Å; F229-S233 WeakPolarHBondContact O-CB 3.31Å; F229-S233 PolarHBondContact O-N 2.81Å; N230-S233 PolarHBondContact O-N 2.83Å; V231-S233 PolarHBondContact O-N 2.77Å; S233-S236 PolarHBondContact O-N 3.05Å; S233-Q237 WeakPolarHBondContact O-CB 3.39Å; S233-Q237 VanDerWaalsContact O-CG 3.25Å; S233-Q237 WeakPolarHBondContact O-CG 3.35Å; S233-Q237 PolarHBondContact O-N 3.43Å; S233-Q237 PolarHBondContact OG-NE2 3.28Å; S233-Q237 VanDerWaalsContact OG-NE2 3.12Å
234	R	89.7	Confident	89.7	Confident	12 Å²	12	58.5 Å²	58.5	5%	0.045	31%	0.307	C	S	.	.	H	α-helix	trans	-59	-50.7	174.4	-78.8	173.2	63.7	-151.6	-4	110.7	N230 V231 S236 Q237 V238 Y267 D414 I417	N230-R234 WeakPolarHBondContact O-CB 3.17Å; N230-R234 WeakPolarHBondContact O-CG 3.28Å; N230-R234 PolarHBondContact O-N 2.77Å; N230-R234 WeakPolarHBondContact OD1-CD 3.38Å; V231-R234 PolarHBondContact O-N 2.88Å; R234-S236 VanDerWaalsContact C-N 3.33Å; R234-S236 PolarHBondContact O-N 3.3Å; R234-Q237 PolarHBondContact O-N 2.86Å; R234-V238 VanDerWaalsContact O-CG2 3.27Å; R234-V238 WeakPolarHBondContact O-CG2 3.46Å; R234-V238 PolarHBondContact O-N 3.03Å; R234-Y267 HydrophobicContact CG-CD1 4.42Å; R234-Y267 VanDerWaalsContact CZ-O 3.27Å; R234-Y267 PolarHBondContact NE-O 3.44Å; R234-Y267 PolarHBondContact NH2-O 3.25Å; R234-D414 IonicContact CZ-OD1 2.74Å; R234-D414 IonicContact NH1-OD1 2.67Å; R234-D414 PolarHBondContact NH1-OD1 3.5Å; R234-D414 IonicContact NH2-OD1 3.28Å; R234-D414 PolarHBondContact NH2-OD1 3Å; R234-D414 VanDerWaalsContact NH2-OD1 3.08Å; R234-I417 HydrophobicContact CB-CD1 4.23Å
235	R	89.6	Confident	89.7	Confident	85 Å²	85	58.4 Å²	58.4	32%	0.321	31%	0.306	S	S	.	.	H	α-helix	trans	-54.1	-49.6	178.3	-170.1	173.9	69.8	161.6	-1.6	111.6	V231 E232 Q237 V238 L239 I417	V231-R235 WeakPolarHBondContact O-CB 3.21Å; V231-R235 PolarHBondContact O-N 2.8Å; E232-R235 VanDerWaalsContact CD-NH2 3.3Å; E232-R235 PolarHBondContact O-N 3Å; E232-R235 IonicContact OE1-CZ 2.68Å; E232-R235 IonicContact OE1-NE 3.06Å; E232-R235 IonicContact OE1-NH2 3.46Å; E232-R235 PolarHBondContact OE1-NH2 2.81Å; E232-R235 VanDerWaalsContact OE1-NH2 3.1Å; E232-R235 IonicContact OE2-CZ 2.7Å; E232-R235 VanDerWaalsContact OE2-CZ 3.29Å; E232-R235 IonicContact OE2-NE 3.45Å; E232-R235 PolarHBondContact OE2-NE 3.41Å; E232-R235 IonicContact OE2-NH2 3.62Å; E232-R235 PolarHBondContact OE2-NH2 2.86Å; R235-Q237 PolarHBondContact O-N 3.2Å; R235-V238 PolarHBondContact O-N 3.14Å; R235-L239 HydrophobicContact CG-CD1 4.38Å; R235-L239 WeakPolarHBondContact O-CG 3.18Å; R235-L239 PolarHBondContact O-N 2.95Å; R235-L239 VanDerWaalsContact O-N 3.13Å; R235-I417 HydrophobicContact CB-CG1 3.9Å; R235-I417 HydrophobicContact CG-CG1 4.18Å
236	S	90.8	Very high	89.5	Confident	68 Å²	68	54.4 Å²	54.4	48%	0.476	28%	0.281	S	S	.	.	H	α-helix	trans	-63.2	-42.7	-179.6	-59.1	0	0	0	0	112.2	E232 S233 R234 L240	E232-S236 WeakPolarHBondContact O-CB 3.37Å; E232-S236 PolarHBondContact O-N 3.48Å; E232-S236 PolarHBondContact O-OG 3.25Å; S233-S236 PolarHBondContact O-N 3.05Å; R234-S236 VanDerWaalsContact C-N 3.33Å; R234-S236 PolarHBondContact O-N 3.3Å; S236-L240 VanDerWaalsContact O-CB 3.3Å; S236-L240 WeakPolarHBondContact O-CB 3.49Å; S236-L240 PolarHBondContact O-N 2.94Å
237	Q	91.3	Very high	89.2	Confident	67 Å²	67	57.6 Å²	57.6	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-69.1	-42	179.6	-71.1	177.1	29.5	0	0	111.9	S233 R234 R235 L239 L240 W241 Y267	S233-Q237 WeakPolarHBondContact O-CB 3.39Å; S233-Q237 VanDerWaalsContact O-CG 3.25Å; S233-Q237 WeakPolarHBondContact O-CG 3.35Å; S233-Q237 PolarHBondContact O-N 3.43Å; S233-Q237 PolarHBondContact OG-NE2 3.28Å; S233-Q237 VanDerWaalsContact OG-NE2 3.12Å; R234-Q237 PolarHBondContact O-N 2.86Å; R235-Q237 PolarHBondContact O-N 3.2Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-L239 PolarHBondContact O-N 2.96Å; Q237-L240 PolarHBondContact O-N 3.2Å; Q237-W241 WeakPolarHBondContact O-CB 3.29Å; Q237-W241 PolarHBondContact O-N 3.09Å; Q237-Y267 HydrophobicContact CB-CE1 4.09Å; Q237-Y267 HydrophobicContact CB-CE2 4.16Å; Q237-Y267 PolarHBondContact OE1-OH 2.92Å
238	V	91.3	Very high	89.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-56.5	-49.8	175.4	169.6	0	0	0	0	110.4	R234 R235 S242 V264 Y267 I417 L421	R234-V238 VanDerWaalsContact O-CG2 3.27Å; R234-V238 WeakPolarHBondContact O-CG2 3.46Å; R234-V238 PolarHBondContact O-N 3.03Å; R235-V238 PolarHBondContact O-N 3.14Å; V238-S242 WeakPolarHBondContact O-CB 3.36Å; V238-S242 PolarHBondContact O-N 2.9Å; V238-S242 PolarHBondContact O-OG 3.34Å; V238-V264 HydrophobicContact CG1-CB 4.28Å; V238-V264 HydrophobicContact CG1-CG1 4.3Å; V238-V264 HydrophobicContact CG1-CG2 4.42Å; V238-V264 HydrophobicContact CG2-CB 4.34Å; V238-V264 WeakPolarHBondContact O-CG1 3.31Å; V238-Y267 VanDerWaalsContact CG2-CB 3.41Å; V238-Y267 HydrophobicContact CG2-CD2 4.22Å; V238-Y267 HydrophobicContact CG2-CG 4.05Å; V238-I417 HydrophobicContact CB-CG2 4.48Å; V238-I417 HydrophobicContact CG2-CG2 4.16Å; V238-L421 HydrophobicContact CG1-CB 4.01Å; V238-L421 HydrophobicContact CG1-CD1 4Å; V238-L421 HydrophobicContact CG1-CD2 4.18Å; V238-L421 HydrophobicContact CG1-CG 4.3Å
239	L	89.7	Confident	89	Confident	57 Å²	57	59.2 Å²	59.2	30%	0.298	29%	0.292	S	S	.	.	H	α-helix	trans	-65.7	-45	-179.4	-69.4	173.8	0	0	0	112.2	R235 Q237 S242 A243 A420 F424	R235-L239 HydrophobicContact CG-CD1 4.38Å; R235-L239 WeakPolarHBondContact O-CG 3.18Å; R235-L239 PolarHBondContact O-N 2.95Å; R235-L239 VanDerWaalsContact O-N 3.13Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-L239 PolarHBondContact O-N 2.96Å; L239-S242 PolarHBondContact O-N 2.9Å; L239-A243 VanDerWaalsContact O-CB 3.23Å; L239-A243 WeakPolarHBondContact O-CB 3.49Å; L239-A243 PolarHBondContact O-N 2.79Å; L239-A420 HydrophobicContact CD1-CB 4.32Å; L239-A420 HydrophobicContact CD2-CB 4.02Å; L239-F424 HydrophobicContact CD2-CB 4.25Å
240	L	91.3	Very high	88.4	Confident	121 Å²	121	54 Å²	54	63%	0.634	27%	0.271	S	S	*	.	H	α-helix	trans	-63.6	-47	-178.5	-176.5	66.8	0	0	0	112.1	S236 Q237 A243 S244	S236-L240 VanDerWaalsContact O-CB 3.3Å; S236-L240 WeakPolarHBondContact O-CB 3.49Å; S236-L240 PolarHBondContact O-N 2.94Å; Q237-L240 PolarHBondContact O-N 3.2Å; L240-A243 PolarHBondContact O-N 2.7Å; L240-S244 PolarHBondContact O-N 3.06Å
241	W	91.4	Very high	87.9	Confident	112 Å²	112	54.4 Å²	54.4	42%	0.424	28%	0.276	S	S	.	.	H	α-helix	trans	-69.5	-40.2	179.7	-76.1	115.7	0	0	0	111.9	Q237 A243 S244 K245 T263 V264 Y267	Q237-W241 WeakPolarHBondContact O-CB 3.29Å; Q237-W241 PolarHBondContact O-N 3.09Å; W241-A243 VanDerWaalsContact C-N 3.32Å; W241-A243 PolarHBondContact O-N 3.24Å; W241-S244 PolarHBondContact O-N 3.29Å; W241-K245 WeakPolarHBondContact O-CG 3.01Å; W241-K245 PolarHBondContact O-N 3.36Å; W241-T263 HydrophobicContact CB-CG2 3.96Å; W241-T263 HydrophobicContact CD2-CG2 4.3Å; W241-T263 HydrophobicContact CE3-CG2 4.13Å; W241-T263 HydrophobicContact CG-CG2 4.26Å; W241-V264 HydrophobicContact CB-CG1 3.96Å; W241-Y267 AromaticContact CD1-CE2 3.88Å
242	S	90.2	Very high	87.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-46.8	173.5	-59.8	0	0	0	0	110.5	V238 L239 K245 V246 V264 L421	V238-S242 WeakPolarHBondContact O-CB 3.36Å; V238-S242 PolarHBondContact O-N 2.9Å; V238-S242 PolarHBondContact O-OG 3.34Å; L239-S242 PolarHBondContact O-N 2.9Å; S242-K245 PolarHBondContact O-N 3.01Å; S242-V246 VanDerWaalsContact O-CB 3.25Å; S242-V246 WeakPolarHBondContact O-CB 3.41Å; S242-V246 WeakPolarHBondContact O-CG2 3.3Å; S242-V246 PolarHBondContact O-N 3.1Å; S242-V264 WeakPolarHBondContact OG-CG1 2.83Å; S242-L421 WeakPolarHBondContact OG-CD1 3.11Å
243	A	89.1	Confident	87.3	Confident	19 Å²	19	55.8 Å²	55.8	16%	0.157	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-47.6	177.3	0	0	0	0	0	112.8	L239 L240 W241 K245 V246 F247 F424	L239-A243 VanDerWaalsContact O-CB 3.23Å; L239-A243 WeakPolarHBondContact O-CB 3.49Å; L239-A243 PolarHBondContact O-N 2.79Å; L240-A243 PolarHBondContact O-N 2.7Å; W241-A243 VanDerWaalsContact C-N 3.32Å; W241-A243 PolarHBondContact O-N 3.24Å; A243-K245 PolarHBondContact O-N 3.41Å; A243-V246 PolarHBondContact O-N 3.42Å; A243-F247 HydrophobicContact CB-CD2 4.36Å; A243-F247 HydrophobicContact CB-CE2 4.19Å; A243-F247 WeakPolarHBondContact O-CD2 3.16Å; A243-F247 PolarHBondContact O-N 3.08Å; A243-F424 VanDerWaalsContact CA-CE1 3.41Å; A243-F424 HydrophobicContact CB-CE1 3.95Å; A243-F424 HydrophobicContact CB-CE2 4.02Å; A243-F424 HydrophobicContact CB-CZ 3.44Å; A243-F424 VanDerWaalsContact CB-CZ 3.44Å
244	S	90	Very high	86.9	Confident	60 Å²	60	56.1 Å²	56.1	42%	0.42	28%	0.283	S	S	.	.	H	α-helix	trans	-56.3	-40.9	176.6	175	0	0	0	0	112.2	L240 W241 E248	L240-S244 PolarHBondContact O-N 3.06Å; W241-S244 PolarHBondContact O-N 3.29Å; S244-E248 PolarHBondContact O-N 3.45Å
245	K	88.5	Confident	86.7	Confident	47 Å²	47	61.7 Å²	61.7	20%	0.204	30%	0.304	C	S	.	.	H	α-helix	trans	-76.9	-36.1	-179.3	-66.7	-68.8	142.8	-159.3	0	112.7	W241 S242 A243 E248 E249 K259 A260 T263	W241-K245 WeakPolarHBondContact O-CG 3.01Å; W241-K245 PolarHBondContact O-N 3.36Å; S242-K245 PolarHBondContact O-N 3.01Å; A243-K245 PolarHBondContact O-N 3.41Å; K245-E248 IonicContact NZ-OE2 3.67Å; K245-E248 PolarHBondContact NZ-OE2 3.34Å; K245-E248 WeakPolarHBondContact O-CB 3.07Å; K245-E248 PolarHBondContact O-N 3.43Å; K245-E249 PolarHBondContact O-N 3.42Å; K245-K259 HydrophobicContact CB-CB 4.13Å; K245-K259 HydrophobicContact CD-CB 4.38Å; K245-A260 HydrophobicContact CB-CB 4.48Å; K245-T263 HydrophobicContact CG-CG2 4.3Å
246	V	86.8	Confident	86.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-41.7	175.3	149.5	0	0	0	0	112.1	S242 A243 E248 E249 Q256 A260 F424 L425 S428	S242-V246 VanDerWaalsContact O-CB 3.25Å; S242-V246 WeakPolarHBondContact O-CB 3.41Å; S242-V246 WeakPolarHBondContact O-CG2 3.3Å; S242-V246 PolarHBondContact O-N 3.1Å; A243-V246 PolarHBondContact O-N 3.42Å; V246-E248 VanDerWaalsContact C-N 3.3Å; V246-E249 CarbonylContact O-C 3.6Å; V246-Q256 HydrophobicContact CB-CG 4.2Å; V246-Q256 HydrophobicContact CG2-CG 3.64Å; V246-Q256 PolarHBondContact O-NE2 3.45Å; V246-Q256 VanDerWaalsContact O-NE2 3.16Å; V246-A260 HydrophobicContact CG2-CB 4.41Å; V246-F424 HydrophobicContact CB-CE1 3.79Å; V246-F424 HydrophobicContact CB-CZ 4.17Å; V246-F424 HydrophobicContact CG1-CE1 3.97Å; V246-F424 HydrophobicContact CG1-CZ 3.94Å; V246-F424 HydrophobicContact CG2-CD1 4.39Å; V246-F424 HydrophobicContact CG2-CE1 3.65Å; V246-F424 HydrophobicContact CG2-CZ 4.47Å; V246-L425 HydrophobicContact CG2-CD2 4.29Å; V246-S428 VanDerWaalsContact CG1-CB 3.42Å
247	F	82.8	Confident	86.5	Confident	129 Å²	129	54.4 Å²	54.4	57%	0.566	27%	0.266	S	S	*	.	H	α-helix	trans	-77.7	-15.2	178	-69.7	-58.8	0	0	0	113.7	A243 L250	A243-F247 HydrophobicContact CB-CD2 4.36Å; A243-F247 HydrophobicContact CB-CE2 4.19Å; A243-F247 WeakPolarHBondContact O-CD2 3.16Å; A243-F247 PolarHBondContact O-N 3.08Å; F247-L250 HydrophobicContact CD1-CD2 4.5Å
248	E	86.3	Confident	86.3	Confident	105 Å²	105	54.1 Å²	54.1	49%	0.491	26%	0.264	S	S	.	.	H	α-helix	trans	-76.4	-34.1	173.3	-163.5	-165.9	121.1	0	0	111.6	S244 K245 V246 K259	S244-E248 PolarHBondContact O-N 3.45Å; K245-E248 IonicContact NZ-OE2 3.67Å; K245-E248 PolarHBondContact NZ-OE2 3.34Å; K245-E248 WeakPolarHBondContact O-CB 3.07Å; K245-E248 PolarHBondContact O-N 3.43Å; V246-E248 VanDerWaalsContact C-N 3.3Å; E248-K259 IonicContact OE1-NZ 3.11Å; E248-K259 PolarHBondContact OE1-NZ 3.4Å
249	E	83.8	Confident	86.2	Confident	17 Å²	17	55.8 Å²	55.8	8%	0.079	27%	0.272	C	S	.	.			trans	-117.2	100.1	-179.3	-163.5	76.3	-148.8	0	0	110.7	K245 V246 R255 Q256 K259	K245-E249 PolarHBondContact O-N 3.42Å; V246-E249 CarbonylContact O-C 3.6Å; E249-R255 VanDerWaalsContact CD-CD 3.47Å; E249-R255 VanDerWaalsContact CD-NH1 3.33Å; E249-R255 HydrophobicContact CG-CB 3.98Å; E249-R255 HydrophobicContact CG-CG 3.93Å; E249-R255 WeakPolarHBondContact OE1-CD 3.45Å; E249-R255 IonicContact OE1-CZ 2.77Å; E249-R255 IonicContact OE1-NE 3.72Å; E249-R255 IonicContact OE1-NH1 3.74Å; E249-R255 PolarHBondContact OE1-NH1 3.01Å; E249-R255 IonicContact OE2-CZ 2.83Å; E249-R255 VanDerWaalsContact OE2-CZ 3.28Å; E249-R255 IonicContact OE2-NE 2.98Å; E249-R255 PolarHBondContact OE2-NE 2.83Å; E249-R255 IonicContact OE2-NH1 3.96Å; E249-R255 PolarHBondContact OE2-NH1 3.27Å; E249-Q256 HydrophobicContact CB-CB 4.37Å; E249-Q256 PolarHBondContact O-NE2 2.66Å; E249-K259 HydrophobicContact CB-CD 4.26Å; E249-K259 WeakPolarHBondContact OE2-CE 3.26Å; E249-K259 IonicContact OE2-NZ 3.44Å; E249-K259 PolarHBondContact OE2-NZ 2.69Å
250	L	78.8	Confident	86.2	Confident	47 Å²	47	53 Å²	53	25%	0.246	26%	0.257	C	S	.	.			trans	-98.4	-15.2	-172.9	-61.2	175.6	0	0	0	114.2	F247 N431 C432 Y435	F247-L250 HydrophobicContact CD1-CD2 4.5Å; L250-N431 HydrophobicContact CD2-CB 4.44Å; L250-C432 VanDerWaalsContact O-CA 3.24Å; L250-C432 WeakPolarHBondContact O-CA 3.25Å; L250-C432 PolarHBondContact O-N 3.2Å; L250-C432 PolarHBondContact O-SG 3.15Å; L250-Y435 HydrophobicContact CB-CD2 3.85Å; L250-Y435 HydrophobicContact CB-CE2 3.64Å; L250-Y435 HydrophobicContact CD1-CE2 3.79Å; L250-Y435 HydrophobicContact CG-CE2 4.23Å
251	T	77.4	Confident	86.2	Confident	82 Å²	82	47.3 Å²	47.3	50%	0.503	23%	0.228	S	C	.	.	S	Bend	trans	-103.3	-23.9	-166.9	51.7	0	0	0	0	114.4
252	D	82.8	Confident	86.1	Confident	61 Å²	61	46 Å²	46	33%	0.326	22%	0.223	S	C	.	.			trans	-132.3	116.2	-172.4	-179.6	-2.3	0	0	0	111.1	E254 R255 Q256	D252-E254 VanDerWaalsContact C-N 3.27Å; D252-E254 PolarHBondContact O-N 3.32Å; D252-E254 WeakPolarHBondContact OD1-CB 3.11Å; D252-E254 PolarHBondContact OD1-N 3.46Å; D252-R255 HydrophobicContact CB-CB 4.11Å; D252-Q256 WeakPolarHBondContact O-CB 3.36Å; D252-Q256 PolarHBondContact O-N 2.94Å
253	I	82.3	Confident	86	Confident	43 Å²	43	47.8 Å²	47.8	22%	0.221	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-39.3	-179.9	-59.6	166.6	0	0	0	110.7	Q256 F257 V429 C432	I253-Q256 WeakPolarHBondContact O-CB 3.38Å; I253-Q256 PolarHBondContact O-N 3.38Å; I253-F257 HydrophobicContact CG2-CD1 3.94Å; I253-F257 HydrophobicContact CG2-CE1 3.71Å; I253-F257 HydrophobicContact CG2-CE2 4.36Å; I253-F257 HydrophobicContact CG2-CG 4.38Å; I253-F257 HydrophobicContact CG2-CZ 3.93Å; I253-F257 WeakPolarHBondContact O-CB 3.28Å; I253-F257 VanDerWaalsContact O-CD1 3.26Å; I253-F257 WeakPolarHBondContact O-CD1 3.39Å; I253-F257 WeakPolarHBondContact O-CG 3.39Å; I253-F257 PolarHBondContact O-N 3.29Å; I253-V429 HydrophobicContact CD1-CG1 3.75Å; I253-V429 HydrophobicContact CG1-CG1 4.33Å; I253-V429 HydrophobicContact CG2-CG2 4.08Å; I253-C432 HydrophobicContact CD1-CB 4.31Å; I253-C432 HydrophobicContact CG1-CB 3.53Å
254	E	81.9	Confident	85.9	Confident	45 Å²	45	46.9 Å²	46.9	21%	0.21	23%	0.226	C	C	.	.	H	α-helix	trans	-69.8	-47.5	-173.4	-55.6	-177.5	174.1	0	0	110.4	D252 Q256 F257 H258 L277 Y314 K315	D252-E254 VanDerWaalsContact C-N 3.27Å; D252-E254 PolarHBondContact O-N 3.32Å; D252-E254 WeakPolarHBondContact OD1-CB 3.11Å; D252-E254 PolarHBondContact OD1-N 3.46Å; E254-Q256 VanDerWaalsContact C-N 3.3Å; E254-Q256 PolarHBondContact O-N 3.18Å; E254-F257 PolarHBondContact O-N 3Å; E254-H258 VanDerWaalsContact O-CB 3.24Å; E254-H258 WeakPolarHBondContact O-CB 3.18Å; E254-H258 PolarHBondContact O-N 2.7Å; E254-L277 HydrophobicContact CG-CD1 3.99Å; E254-Y314 WeakPolarHBondContact OE1-CE2 3.35Å; E254-Y314 PolarHBondContact OE1-OH 2.88Å; E254-Y314 VanDerWaalsContact OE1-OH 3.05Å; E254-K315 HydrophobicContact CG-CD 4.44Å; E254-K315 WeakPolarHBondContact OE1-CD 3.43Å; E254-K315 WeakPolarHBondContact OE1-CE 3.39Å; E254-K315 IonicContact OE1-NZ 3.29Å; E254-K315 PolarHBondContact OE1-NZ 3.15Å; E254-K315 WeakPolarHBondContact OE2-CD 3.35Å; E254-K315 IonicContact OE2-NZ 2.66Å; E254-K315 PolarHBondContact OE2-NZ 3.47Å
255	R	84.4	Confident	85.8	Confident	130 Å²	130	45.9 Å²	45.9	49%	0.491	21%	0.213	S	C	.	.	H	α-helix	trans	-66.8	-36.5	177.4	-170.1	167.4	-178.2	-146.5	10.4	111.3	E249 D252 K259	E249-R255 VanDerWaalsContact CD-CD 3.47Å; E249-R255 VanDerWaalsContact CD-NH1 3.33Å; E249-R255 HydrophobicContact CG-CB 3.98Å; E249-R255 HydrophobicContact CG-CG 3.93Å; E249-R255 WeakPolarHBondContact OE1-CD 3.45Å; E249-R255 IonicContact OE1-CZ 2.77Å; E249-R255 IonicContact OE1-NE 3.72Å; E249-R255 IonicContact OE1-NH1 3.74Å; E249-R255 PolarHBondContact OE1-NH1 3.01Å; E249-R255 IonicContact OE2-CZ 2.83Å; E249-R255 VanDerWaalsContact OE2-CZ 3.28Å; E249-R255 IonicContact OE2-NE 2.98Å; E249-R255 PolarHBondContact OE2-NE 2.83Å; E249-R255 IonicContact OE2-NH1 3.96Å; E249-R255 PolarHBondContact OE2-NH1 3.27Å; D252-R255 HydrophobicContact CB-CB 4.11Å; R255-K259 HydrophobicContact CG-CD 4.45Å; R255-K259 WeakPolarHBondContact O-CB 3.31Å; R255-K259 VanDerWaalsContact O-CG 3.31Å; R255-K259 WeakPolarHBondContact O-CG 3.41Å; R255-K259 PolarHBondContact O-N 3.1Å
256	Q	87.8	Confident	85.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-52.5	174.6	-176.8	179.7	56.4	0	0	111.7	V246 E249 D252 I253 E254 H258 K259 A260 S428	V246-Q256 HydrophobicContact CB-CG 4.2Å; V246-Q256 HydrophobicContact CG2-CG 3.64Å; V246-Q256 PolarHBondContact O-NE2 3.45Å; V246-Q256 VanDerWaalsContact O-NE2 3.16Å; E249-Q256 HydrophobicContact CB-CB 4.37Å; E249-Q256 PolarHBondContact O-NE2 2.66Å; D252-Q256 WeakPolarHBondContact O-CB 3.36Å; D252-Q256 PolarHBondContact O-N 2.94Å; I253-Q256 WeakPolarHBondContact O-CB 3.38Å; I253-Q256 PolarHBondContact O-N 3.38Å; E254-Q256 VanDerWaalsContact C-N 3.3Å; E254-Q256 PolarHBondContact O-N 3.18Å; Q256-H258 VanDerWaalsContact C-N 3.33Å; Q256-H258 PolarHBondContact O-N 3.41Å; Q256-K259 PolarHBondContact O-N 3.46Å; Q256-A260 WeakPolarHBondContact O-CB 3.4Å; Q256-A260 PolarHBondContact O-N 2.81Å; Q256-S428 PolarHBondContact OE1-OG 3.17Å; Q256-S428 VanDerWaalsContact OE1-OG 3.06Å
257	F	88.7	Confident	85.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-43.2	178.5	-79.7	29.2	0	0	0	110.4	I253 E254 K259 A260 L261 V275 L277 I388 L425 V429	I253-F257 HydrophobicContact CG2-CD1 3.94Å; I253-F257 HydrophobicContact CG2-CE1 3.71Å; I253-F257 HydrophobicContact CG2-CE2 4.36Å; I253-F257 HydrophobicContact CG2-CG 4.38Å; I253-F257 HydrophobicContact CG2-CZ 3.93Å; I253-F257 WeakPolarHBondContact O-CB 3.28Å; I253-F257 VanDerWaalsContact O-CD1 3.26Å; I253-F257 WeakPolarHBondContact O-CD1 3.39Å; I253-F257 WeakPolarHBondContact O-CG 3.39Å; I253-F257 PolarHBondContact O-N 3.29Å; E254-F257 PolarHBondContact O-N 3Å; F257-K259 PolarHBondContact O-N 3.43Å; F257-A260 PolarHBondContact O-N 3.36Å; F257-L261 HydrophobicContact CB-CD1 4.38Å; F257-L261 VanDerWaalsContact O-CB 3.31Å; F257-L261 WeakPolarHBondContact O-CB 3.33Å; F257-L261 WeakPolarHBondContact O-CD1 3.46Å; F257-L261 WeakPolarHBondContact O-CG 3.26Å; F257-L261 PolarHBondContact O-N 2.86Å; F257-V275 HydrophobicContact CD2-CG1 4.36Å; F257-L277 HydrophobicContact CD2-CD2 3.72Å; F257-L277 HydrophobicContact CE2-CD2 3.68Å; F257-I388 HydrophobicContact CD2-CD1 4.23Å; F257-I388 HydrophobicContact CE2-CD1 3.72Å; F257-I388 HydrophobicContact CE2-CG2 4.01Å; F257-I388 HydrophobicContact CZ-CG2 3.97Å; F257-L425 HydrophobicContact CD1-CB 4.41Å; F257-L425 HydrophobicContact CD1-CD2 4.02Å; F257-L425 HydrophobicContact CE1-CB 3.94Å; F257-L425 HydrophobicContact CE1-CD2 4.33Å; F257-L425 WeakPolarHBondContact CE1-O 3.45Å; F257-L425 HydrophobicContact CE2-CB 4.44Å; F257-L425 HydrophobicContact CG-CD2 4.43Å; F257-L425 HydrophobicContact CZ-CB 3.97Å; F257-V429 HydrophobicContact CE1-CG2 3.91Å; F257-V429 HydrophobicContact CZ-CG2 3.76Å
258	H	87.6	Confident	85.6	Confident	60 Å²	60	44.7 Å²	44.7	28%	0.278	21%	0.211	S	C	.	.	H	α-helix	trans	-58.2	-51.8	178.2	175.2	72.8	0	0	0	112.5	E254 Q256 A260 Y262 Y319	E254-H258 VanDerWaalsContact O-CB 3.24Å; E254-H258 WeakPolarHBondContact O-CB 3.18Å; E254-H258 PolarHBondContact O-N 2.7Å; Q256-H258 VanDerWaalsContact C-N 3.33Å; Q256-H258 PolarHBondContact O-N 3.41Å; H258-A260 PolarHBondContact O-N 3.01Å; H258-Y262 WeakPolarHBondContact O-CB 3.42Å; H258-Y262 PolarHBondContact O-N 3.03Å; H258-Y319 WeakPolarHBondContact CA-OH 3.33Å
259	K	88.8	Confident	85.5	Confident	35 Å²	35	42.5 Å²	42.5	15%	0.152	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-43.1	179.5	-77	179.3	173	-174.3	0	111.8	K245 E248 E249 R255 Q256 F257 T263	K245-K259 HydrophobicContact CB-CB 4.13Å; K245-K259 HydrophobicContact CD-CB 4.38Å; E248-K259 IonicContact OE1-NZ 3.11Å; E248-K259 PolarHBondContact OE1-NZ 3.4Å; E249-K259 HydrophobicContact CB-CD 4.26Å; E249-K259 WeakPolarHBondContact OE2-CE 3.26Å; E249-K259 IonicContact OE2-NZ 3.44Å; E249-K259 PolarHBondContact OE2-NZ 2.69Å; R255-K259 HydrophobicContact CG-CD 4.45Å; R255-K259 WeakPolarHBondContact O-CB 3.31Å; R255-K259 VanDerWaalsContact O-CG 3.31Å; R255-K259 WeakPolarHBondContact O-CG 3.41Å; R255-K259 PolarHBondContact O-N 3.1Å; Q256-K259 PolarHBondContact O-N 3.46Å; F257-K259 PolarHBondContact O-N 3.43Å; K259-T263 WeakPolarHBondContact O-CB 3.28Å; K259-T263 PolarHBondContact O-N 3.44Å; K259-T263 VanDerWaalsContact O-N 3.15Å; K259-T263 PolarHBondContact O-OG1 3.24Å
260	A	90.5	Very high	85.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65	-54.8	-179.9	0	0	0	0	0	111.3	K245 V246 Q256 F257 H258 Y262 T263 V264 L425	K245-A260 HydrophobicContact CB-CB 4.48Å; V246-A260 HydrophobicContact CG2-CB 4.41Å; Q256-A260 WeakPolarHBondContact O-CB 3.4Å; Q256-A260 PolarHBondContact O-N 2.81Å; F257-A260 PolarHBondContact O-N 3.36Å; H258-A260 PolarHBondContact O-N 3.01Å; A260-Y262 PolarHBondContact O-N 2.93Å; A260-T263 PolarHBondContact O-N 2.74Å; A260-T263 VanDerWaalsContact O-N 3.15Å; A260-V264 VanDerWaalsContact O-CG2 3.32Å; A260-V264 WeakPolarHBondContact O-CG2 3.26Å; A260-V264 PolarHBondContact O-N 2.83Å; A260-L425 HydrophobicContact CB-CD2 3.75Å
261	L	90.1	Very high	86.4	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-42.7	-177.2	-71.1	163.9	0	0	0	112.3	F257 T263 V264 R265 Y273 V275 Y319 L421 L425	F257-L261 HydrophobicContact CB-CD1 4.38Å; F257-L261 VanDerWaalsContact O-CB 3.31Å; F257-L261 WeakPolarHBondContact O-CB 3.33Å; F257-L261 WeakPolarHBondContact O-CD1 3.46Å; F257-L261 WeakPolarHBondContact O-CG 3.26Å; F257-L261 PolarHBondContact O-N 2.86Å; L261-T263 VanDerWaalsContact C-N 3.3Å; L261-T263 PolarHBondContact O-N 3.34Å; L261-V264 PolarHBondContact O-N 2.76Å; L261-R265 PolarHBondContact O-N 2.9Å; L261-Y273 HydrophobicContact CB-CE2 4.1Å; L261-Y273 HydrophobicContact CD2-CE2 4.41Å; L261-Y273 PolarHBondContact O-OH 2.88Å; L261-V275 HydrophobicContact CD1-CB 4.27Å; L261-V275 HydrophobicContact CD1-CG2 3.48Å; L261-V275 VanDerWaalsContact CD1-CG2 3.48Å; L261-Y319 HydrophobicContact CB-CE1 4.34Å; L261-Y319 HydrophobicContact CB-CE2 4.32Å; L261-Y319 HydrophobicContact CD1-CE2 4.25Å; L261-L421 HydrophobicContact CD2-CD2 4.03Å; L261-L425 HydrophobicContact CD1-CD1 4.43Å; L261-L425 HydrophobicContact CD2-CD1 4.04Å; L261-L425 HydrophobicContact CG-CD1 4.14Å
262	Y	89.1	Confident	87	Confident	85 Å²	85	38.2 Å²	38.2	33%	0.333	17%	0.174	S	C	.	.	H	α-helix	trans	-61.6	-40.1	175.7	-179.1	-109.4	0	0	0	111.8	H258 A260 R265 I327	H258-Y262 WeakPolarHBondContact O-CB 3.42Å; H258-Y262 PolarHBondContact O-N 3.03Å; A260-Y262 PolarHBondContact O-N 2.93Å; Y262-R265 VanDerWaalsContact CZ-CZ 3.48Å; Y262-R265 VanDerWaalsContact CZ-NH1 3.32Å; Y262-R265 VanDerWaalsContact O-CD 3.26Å; Y262-R265 WeakPolarHBondContact O-CD 3.36Å; Y262-R265 WeakPolarHBondContact O-CG 3.41Å; Y262-R265 PolarHBondContact O-NH1 3.43Å; Y262-R265 PolarHBondContact OH-NH2 2.97Å; Y262-I327 HydrophobicContact CD2-CD1 3.43Å; Y262-I327 VanDerWaalsContact CD2-CD1 3.43Å; Y262-I327 HydrophobicContact CE2-CD1 3.71Å; Y262-I327 HydrophobicContact CG-CD1 4.3Å
263	T	88.6	Confident	87.5	Confident	36 Å²	36	35.4 Å²	35.4	22%	0.221	16%	0.159	C	C	.	.	H	α-helix	trans	-68.2	-39.9	-179.6	-57.8	0	0	0	0	111.5	W241 K245 K259 A260 L261	W241-T263 HydrophobicContact CB-CG2 3.96Å; W241-T263 HydrophobicContact CD2-CG2 4.3Å; W241-T263 HydrophobicContact CE3-CG2 4.13Å; W241-T263 HydrophobicContact CG-CG2 4.26Å; K245-T263 HydrophobicContact CG-CG2 4.3Å; K259-T263 WeakPolarHBondContact O-CB 3.28Å; K259-T263 PolarHBondContact O-N 3.44Å; K259-T263 VanDerWaalsContact O-N 3.15Å; K259-T263 PolarHBondContact O-OG1 3.24Å; A260-T263 PolarHBondContact O-N 2.74Å; A260-T263 VanDerWaalsContact O-N 3.15Å; L261-T263 VanDerWaalsContact C-N 3.3Å; L261-T263 PolarHBondContact O-N 3.34Å
264	V	88.3	Confident	88	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-88.6	-0.5	-175.9	-57.2	0	0	0	0	114.4	V238 W241 S242 A260 L261 I266 Y267 L268 L421	V238-V264 HydrophobicContact CG1-CB 4.28Å; V238-V264 HydrophobicContact CG1-CG1 4.3Å; V238-V264 HydrophobicContact CG1-CG2 4.42Å; V238-V264 HydrophobicContact CG2-CB 4.34Å; V238-V264 WeakPolarHBondContact O-CG1 3.31Å; W241-V264 HydrophobicContact CB-CG1 3.96Å; S242-V264 WeakPolarHBondContact OG-CG1 2.83Å; A260-V264 VanDerWaalsContact O-CG2 3.32Å; A260-V264 WeakPolarHBondContact O-CG2 3.26Å; A260-V264 PolarHBondContact O-N 2.83Å; L261-V264 PolarHBondContact O-N 2.76Å; V264-I266 PolarHBondContact O-N 2.94Å; V264-Y267 HydrophobicContact CB-CD2 4.39Å; V264-Y267 WeakPolarHBondContact O-CB 3.44Å; V264-Y267 PolarHBondContact O-N 3.48Å; V264-L268 HydrophobicContact CG2-CD1 3.89Å; V264-L268 HydrophobicContact CG2-CG 4.36Å; V264-L268 PolarHBondContact O-N 3.48Å; V264-L421 HydrophobicContact CG2-CD1 4.39Å; V264-L421 HydrophobicContact CG2-CD2 4.06Å
265	R	87	Confident	88.5	Confident	40 Å²	40	31.4 Å²	31.4	15%	0.151	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-33.9	-178.7	78.7	-173.7	-177.1	-85.8	12.6	114.5	L261 Y262 Y267 L268 Y273 L321 E325	L261-R265 PolarHBondContact O-N 2.9Å; Y262-R265 VanDerWaalsContact CZ-CZ 3.48Å; Y262-R265 VanDerWaalsContact CZ-NH1 3.32Å; Y262-R265 VanDerWaalsContact O-CD 3.26Å; Y262-R265 WeakPolarHBondContact O-CD 3.36Å; Y262-R265 WeakPolarHBondContact O-CG 3.41Å; Y262-R265 PolarHBondContact O-NH1 3.43Å; Y262-R265 PolarHBondContact OH-NH2 2.97Å; R265-Y267 PolarHBondContact O-N 3.02Å; R265-L268 PolarHBondContact O-N 3.37Å; R265-Y273 HydrophobicContact CB-CE1 4.18Å; R265-Y273 VanDerWaalsContact CB-OH 3.3Å; R265-Y273 WeakPolarHBondContact CB-OH 3.42Å; R265-L321 HydrophobicContact CB-CD1 4.12Å; R265-E325 IonicContact CZ-OE1 2.69Å; R265-E325 IonicContact CZ-OE2 2.72Å; R265-E325 VanDerWaalsContact NE-CD 3.34Å; R265-E325 IonicContact NE-OE1 3.52Å; R265-E325 PolarHBondContact NE-OE1 3.35Å; R265-E325 IonicContact NE-OE2 3.6Å; R265-E325 PolarHBondContact NE-OE2 2.82Å; R265-E325 IonicContact NH2-OE1 2.74Å; R265-E325 PolarHBondContact NH2-OE1 3.2Å; R265-E325 IonicContact NH2-OE2 3.17Å; R265-E325 PolarHBondContact NH2-OE2 2.93Å
266	I	83.9	Confident	88.9	Confident	105 Å²	105	25.5 Å²	25.5	54%	0.538	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.7	-180	61.1	171.3	0	0	0	112.5	V264	V264-I266 PolarHBondContact O-N 2.94Å
267	Y	86.3	Confident	89	Confident	40 Å²	40	25.6 Å²	25.6	16%	0.157	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-19.6	-177.9	-57.6	-65.5	0	0	0	113.5	R234 Q237 V238 W241 V264 R265 Q269	R234-Y267 HydrophobicContact CG-CD1 4.42Å; R234-Y267 VanDerWaalsContact CZ-O 3.27Å; R234-Y267 PolarHBondContact NE-O 3.44Å; R234-Y267 PolarHBondContact NH2-O 3.25Å; Q237-Y267 HydrophobicContact CB-CE1 4.09Å; Q237-Y267 HydrophobicContact CB-CE2 4.16Å; Q237-Y267 PolarHBondContact OE1-OH 2.92Å; V238-Y267 VanDerWaalsContact CG2-CB 3.41Å; V238-Y267 HydrophobicContact CG2-CD2 4.22Å; V238-Y267 HydrophobicContact CG2-CG 4.05Å; W241-Y267 AromaticContact CD1-CE2 3.88Å; V264-Y267 HydrophobicContact CB-CD2 4.39Å; V264-Y267 WeakPolarHBondContact O-CB 3.44Å; V264-Y267 PolarHBondContact O-N 3.48Å; R265-Y267 PolarHBondContact O-N 3.02Å; Y267-Q269 VanDerWaalsContact C-N 3.32Å; Y267-Q269 PolarHBondContact O-N 3.36Å
268	L	82.8	Confident	88.9	Confident	7 Å²	7	26 Å²	26	4%	0.037	12%	0.121	C	C	.	.	S	Bend	trans	-77	-14.8	-176.4	-68.9	166.6	0	0	0	113.7	V264 R265 A270 Y273 F401 L421	V264-L268 HydrophobicContact CG2-CD1 3.89Å; V264-L268 HydrophobicContact CG2-CG 4.36Å; V264-L268 PolarHBondContact O-N 3.48Å; R265-L268 PolarHBondContact O-N 3.37Å; L268-A270 PolarHBondContact O-N 2.96Å; L268-Y273 HydrophobicContact CD1-CE1 4.18Å; L268-F401 HydrophobicContact CB-CE1 4.42Å; L268-F401 HydrophobicContact CD1-CE1 3.75Å; L268-F401 HydrophobicContact CD1-CZ 4.49Å; L268-F401 HydrophobicContact CD2-CE1 4.01Å; L268-F401 HydrophobicContact CD2-CZ 4.4Å; L268-F401 HydrophobicContact CG-CE1 4.26Å; L268-L421 HydrophobicContact CD1-CD2 4.33Å; L268-L421 HydrophobicContact CD2-CD2 3.84Å
269	Q	85.1	Confident	88.6	Confident	59 Å²	59	24.9 Å²	24.9	28%	0.276	12%	0.118	S	C	.	.			trans	51.3	21.4	176.8	-64.9	-167.8	-20.8	0	0	115.9	Y267 R404 K405	Y267-Q269 VanDerWaalsContact C-N 3.32Å; Y267-Q269 PolarHBondContact O-N 3.36Å; Q269-R404 CarbonylContact O-C 3.59Å; Q269-R404 WeakPolarHBondContact O-CA 3.42Å; Q269-K405 WeakPolarHBondContact O-CG 3.35Å; Q269-K405 PolarHBondContact O-N 2.66Å
270	A	90.1	Very high	87.7	Confident	1 Å²	1	26 Å²	26	1%	0.008	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	148.9	174.7	0	0	0	0	0	112.1	L268 F401 N403 K405 F410	L268-A270 PolarHBondContact O-N 2.96Å; A270-F401 HydrophobicContact CB-CB 4.19Å; A270-F401 HydrophobicContact CB-CD1 4.15Å; A270-N403 CarbonylContact C-O 3.52Å; A270-N403 WeakPolarHBondContact CA-O 3.23Å; A270-K405 WeakPolarHBondContact O-CE 3.47Å; A270-F410 HydrophobicContact CB-CZ 4.3Å
271	E	90.3	Very high	86.5	Confident	48 Å²	48	31.4 Å²	31.4	22%	0.224	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-43.1	173.3	-67.4	-179.6	168.8	0	0	110.8	L321 F378 F402 N403 K405	E271-L321 WeakPolarHBondContact O-CB 3.48Å; E271-L321 PolarHBondContact O-N 2.95Å; E271-F378 HydrophobicContact CB-CE2 4.02Å; E271-F378 VanDerWaalsContact OE2-CE2 3.29Å; E271-F378 WeakPolarHBondContact OE2-CE2 3.45Å; E271-F402 PolarHBondContact N-O 3.06Å; E271-N403 HydrophobicContact CB-CB 4Å; E271-N403 HydrophobicContact CG-CB 3.87Å; E271-N403 PolarHBondContact N-O 3.15Å; E271-N403 WeakPolarHBondContact OE2-CB 3.39Å; E271-N403 PolarHBondContact OE2-ND2 3.06Å; E271-K405 HydrophobicContact CG-CG 4.27Å
272	R	91.5	Very high	85	Confident	7 Å²	7	35.6 Å²	35.6	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.1	174.1	-58.9	-175.4	-177	-158.7	-1.7	110.7	Y319 L320 E322 W338 D374 S376 F378 F402	R272-Y319 WeakPolarHBondContact CA-O 3.39Å; R272-L320 HydrophobicContact CG-CD2 4.28Å; R272-E322 IonicContact CZ-OE1 2.95Å; R272-E322 IonicContact CZ-OE2 3.43Å; R272-E322 IonicContact NE-OE1 3.43Å; R272-E322 PolarHBondContact NE-OE1 2.98Å; R272-E322 IonicContact NE-OE2 2.73Å; R272-E322 IonicContact NH2-OE1 3.05Å; R272-E322 PolarHBondContact NH2-OE1 3.05Å; R272-E322 IonicContact NH2-OE2 3.7Å; R272-E322 PolarHBondContact NH2-OE2 3.46Å; R272-W338 HydrophobicContact CB-CH2 4.45Å; R272-D374 IonicContact CZ-OD2 3.82Å; R272-D374 VanDerWaalsContact CZ-OD2 3.25Å; R272-D374 IonicContact NH1-OD2 2.71Å; R272-D374 PolarHBondContact NH1-OD2 3.03Å; R272-D374 IonicContact NH2-OD1 3.39Å; R272-D374 PolarHBondContact NH2-OD1 3.08Å; R272-D374 IonicContact NH2-OD2 3.54Å; R272-D374 PolarHBondContact NH2-OD2 3.47Å; R272-S376 PolarHBondContact NH2-OG 2.83Å; R272-F378 HydrophobicContact CB-CZ 4.28Å; R272-F378 HydrophobicContact CG-CE1 4.44Å; R272-F378 HydrophobicContact CG-CE2 4.06Å; R272-F378 HydrophobicContact CG-CZ 4Å; R272-F378 VanDerWaalsContact NH2-CB 3.31Å; R272-F402 HydrophobicContact CB-CB 4.37Å; R272-F402 HydrophobicContact CB-CD2 4.49Å; R272-F402 PolarHBondContact N-O 3.04Å; R272-F402 PolarHBondContact O-N 3.38Å
273	Y	92.8	Very high	83.2	Confident	1 Å²	1	37.7 Å²	37.7	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.1	165.1	58.4	-92.6	0	0	0	111.1	L261 R265 L268 Y319 L321 T400 F401	L261-Y273 HydrophobicContact CB-CE2 4.1Å; L261-Y273 HydrophobicContact CD2-CE2 4.41Å; L261-Y273 PolarHBondContact O-OH 2.88Å; R265-Y273 HydrophobicContact CB-CE1 4.18Å; R265-Y273 VanDerWaalsContact CB-OH 3.3Å; R265-Y273 WeakPolarHBondContact CB-OH 3.42Å; L268-Y273 HydrophobicContact CD1-CE1 4.18Å; Y273-Y319 AromaticContact CD2-CD2 3.39Å; Y273-Y319 HydrophobicContact CD2-CD2 3.39Å; Y273-Y319 HydrophobicContact CD2-CE2 4.04Å; Y273-Y319 AromaticContact CD2-CG 3.77Å; Y273-Y319 HydrophobicContact CD2-CG 3.77Å; Y273-Y319 HydrophobicContact CE1-CG 4.3Å; Y273-Y319 AromaticContact CE2-CD1 3.73Å; Y273-Y319 HydrophobicContact CE2-CD1 3.73Å; Y273-Y319 AromaticContact CE2-CD2 3.05Å; Y273-Y319 HydrophobicContact CE2-CD2 3.05Å; Y273-Y319 HydrophobicContact CE2-CE1 4.12Å; Y273-Y319 AromaticContact CE2-CE2 3.51Å; Y273-Y319 HydrophobicContact CE2-CE2 3.51Å; Y273-Y319 AromaticContact CE2-CG 3.16Å; Y273-Y319 HydrophobicContact CE2-CG 3.16Å; Y273-Y319 HydrophobicContact CG-CD2 4.4Å; Y273-Y319 AromaticContact CZ-CD1 3.73Å; Y273-Y319 AromaticContact CZ-CD2 3.87Å; Y273-Y319 AromaticContact CZ-CG 3.44Å; Y273-Y319 VanDerWaalsContact CZ-CG 3.44Å; Y273-Y319 PolarHBondContact N-O 3.1Å; Y273-Y319 WeakPolarHBondContact O-CB 3.21Å; Y273-Y319 PolarHBondContact O-N 3.09Å; Y273-Y319 WeakPolarHBondContact OH-CD1 3.16Å; Y273-L321 HydrophobicContact CD1-CD1 4.28Å; Y273-L321 HydrophobicContact CE1-CD1 3.69Å; Y273-T400 CarbonylContact C-O 3.55Å; Y273-T400 WeakPolarHBondContact CA-O 3.46Å; Y273-T400 VanDerWaalsContact CB-O 3.3Å; Y273-T400 WeakPolarHBondContact CB-O 3.27Å; Y273-F401 VanDerWaalsContact CB-CD1 3.4Å; Y273-F401 HydrophobicContact CD1-CD1 4.14Å; Y273-F401 HydrophobicContact CD1-CE1 4.2Å; Y273-F401 HydrophobicContact CD2-CE1 4.17Å; Y273-F401 AromaticContact CG-CD1 3.85Å; Y273-F401 HydrophobicContact CG-CD1 3.85Å; Y273-F401 AromaticContact CG-CE1 3.81Å; Y273-F401 HydrophobicContact CG-CE1 3.81Å
274	S	92.2	Very high	81.3	Confident	4 Å²	4	43.7 Å²	43.7	3%	0.028	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.4	-179.5	61.9	0	0	0	0	110	I317 D318 A339 T400	S274-I317 CarbonylContact C-O 3.56Å; S274-I317 WeakPolarHBondContact CA-O 3.18Å; S274-D318 WeakPolarHBondContact CB-OD1 3.45Å; S274-A339 WeakPolarHBondContact OG-CB 3.3Å; S274-T400 PolarHBondContact N-O 3.44Å; S274-T400 PolarHBondContact O-N 3.45Å
275	V	93.4	Very high	79.2	Confident	1 Å²	1	48 Å²	48	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117	171.6	179.6	0	0	0	0	109.7	F257 L261 L277 I316 I317 I388 V398 A399	F257-V275 HydrophobicContact CD2-CG1 4.36Å; L261-V275 HydrophobicContact CD1-CB 4.27Å; L261-V275 HydrophobicContact CD1-CG2 3.48Å; L261-V275 VanDerWaalsContact CD1-CG2 3.48Å; V275-L277 HydrophobicContact CG1-CD2 4.23Å; V275-I316 CarbonylContact O-C 3.58Å; V275-I316 WeakPolarHBondContact O-CA 3.47Å; V275-I317 PolarHBondContact N-O 3.04Å; V275-I317 PolarHBondContact O-N 2.91Å; V275-I388 HydrophobicContact CG1-CD1 3.74Å; V275-V398 WeakPolarHBondContact CA-O 3.35Å; V275-A399 HydrophobicContact CG2-CB 3.98Å
276	G	91.8	Very high	77.3	Confident	5 Å²	5	54 Å²	54	5%	0.052	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.3	172.4	0	0	0	0	0	110.6	G397 V398	G276-G397 CarbonylContact O-C 3.51Å; G276-G397 WeakPolarHBondContact O-CA 3.36Å; G276-V398 PolarHBondContact N-O 3.17Å; G276-V398 PolarHBondContact O-N 3.06Å
277	L	90.4	Very high	75.5	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.4	174.8	-61	177.4	0	0	0	109.6	E254 F257 V275 F313 Y314 K315	E254-L277 HydrophobicContact CG-CD1 3.99Å; F257-L277 HydrophobicContact CD2-CD2 3.72Å; F257-L277 HydrophobicContact CE2-CD2 3.68Å; V275-L277 HydrophobicContact CG1-CD2 4.23Å; L277-F313 WeakPolarHBondContact O-CA 3.37Å; L277-Y314 HydrophobicContact CB-CD1 4.21Å; L277-Y314 HydrophobicContact CB-CE1 3.48Å; L277-Y314 VanDerWaalsContact CB-CE1 3.48Å; L277-Y314 VanDerWaalsContact O-CD1 3.27Å; L277-Y314 WeakPolarHBondContact O-CD1 3.42Å; L277-Y314 PolarHBondContact O-N 3.5Å; L277-Y314 VanDerWaalsContact O-N 3.14Å; L277-K315 PolarHBondContact N-O 2.6Å
278	L	87.6	Confident	73.9	Confident	7 Å²	7	60 Å²	60	4%	0.037	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	147	176	-67.1	173	0	0	0	110.2	M280 T305 I311 F313 Y314 A349 I395 V396	L278-M280 PolarHBondContact O-N 2.95Å; L278-T305 HydrophobicContact CD1-CG2 4.1Å; L278-I311 HydrophobicContact CD2-CG2 3.98Å; L278-F313 HydrophobicContact CD2-CD1 3.71Å; L278-F313 HydrophobicContact CD2-CE1 3.62Å; L278-F313 HydrophobicContact CD2-CE2 4.42Å; L278-F313 HydrophobicContact CD2-CG 4.18Å; L278-F313 HydrophobicContact CD2-CZ 4Å; L278-F313 HydrophobicContact CG-CD1 4.34Å; L278-F313 HydrophobicContact CG-CE1 4.14Å; L278-Y314 WeakPolarHBondContact O-CD1 3.04Å; L278-Y314 VanDerWaalsContact O-CE1 3.31Å; L278-Y314 WeakPolarHBondContact O-CE1 3.43Å; L278-A349 HydrophobicContact CD1-CB 4.4Å; L278-I395 HydrophobicContact CD1-CB 4.28Å; L278-I395 HydrophobicContact CD1-CG2 3.76Å; L278-V396 PolarHBondContact N-O 3.44Å
279	D	79.6	Confident	72.7	Confident	38 Å²	38	64.4 Å²	64.4	20%	0.203	30%	0.304	C	S	.	.			trans	-70.8	104	175.7	-170.3	-8.5	0	0	0	110.4	T281 N312 Y314	D279-T281 VanDerWaalsContact C-N 3.28Å; D279-T281 WeakPolarHBondContact OD1-CB 3.44Å; D279-T281 PolarHBondContact OD1-N 3.12Å; D279-T281 PolarHBondContact OD1-OG1 3.11Å; D279-T281 PolarHBondContact OD2-OG1 2.8Å; D279-N312 PolarHBondContact N-O 2.96Å; D279-Y314 HydrophobicContact CB-CD1 4.23Å
280	M	70.6	Confident	71.3	Confident	57 Å²	57	69.1 Å²	69.1	28%	0.281	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-6.6	179.4	-59.3	-63	-79	0	0	113	L278 R309 V396	L278-M280 PolarHBondContact O-N 2.95Å; M280-R309 PolarHBondContact SD-NH1 3.27Å; M280-V396 HydrophobicContact CE-CB 4.4Å; M280-V396 HydrophobicContact CE-CG1 4.33Å; M280-V396 HydrophobicContact CE-CG2 3.93Å; M280-V396 HydrophobicContact CG-CG1 4.03Å; M280-V396 HydrophobicContact SD-CB 4.33Å; M280-V396 HydrophobicContact SD-CG1 4.12Å; M280-V396 HydrophobicContact SD-CG2 4.48Å
281	T	64.3	Low	69.7	Low	115 Å²	115	71 Å²	71	71%	0.706	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-22.3	-176.5	68.5	0	0	0	0	113.4	D279 E283	D279-T281 VanDerWaalsContact C-N 3.28Å; D279-T281 WeakPolarHBondContact OD1-CB 3.44Å; D279-T281 PolarHBondContact OD1-N 3.12Å; D279-T281 PolarHBondContact OD1-OG1 3.11Å; D279-T281 PolarHBondContact OD2-OG1 2.8Å; T281-E283 VanDerWaalsContact C-N 3.27Å; T281-E283 PolarHBondContact O-N 3.14Å
282	K	58.7	Low	68.1	Low	89 Å²	89	71.1 Å²	71.1	39%	0.387	34%	0.335	S	S	.	.	S	Bend	trans	-74.1	86.4	169.5	-66.1	-155.7	-179.4	-169.1	0	108.8	R309 E310	K282-R309 WeakPolarHBondContact O-CD 3.43Å; K282-E310 IonicContact NZ-OE2 3.87Å; K282-E310 PolarHBondContact NZ-OE2 3.43Å
283	E	52.6	Low	66.5	Low	128 Å²	128	78.6 Å²	78.6	60%	0.598	37%	0.368	S	S	*	.			trans	-59.4	159.3	171.3	-76	-164.8	-171.8	0	0	110.8	T281 E285	T281-E283 VanDerWaalsContact C-N 3.27Å; T281-E283 PolarHBondContact O-N 3.14Å; E283-E285 HydrophobicContact CB-CG 3.79Å; E283-E285 PolarHBondContact O-N 2.69Å
284	K	48	Very low	65.2	Low	163 Å²	163	83.9 Å²	83.9	71%	0.709	40%	0.396	S	S	*	.			trans	-74.9	63.8	169.8	-159.2	176.6	-175.5	168.9	0	108.5	D307	K284-D307 WeakPolarHBondContact CD-O 3.19Å; K284-D307 WeakPolarHBondContact CE-O 3.4Å; K284-D307 PolarHBondContact NZ-O 3.36Å
285	E	45.2	Very low	63.5	Low	91 Å²	91	86.6 Å²	86.6	43%	0.425	43%	0.425	S	S	.	.			trans	-88.7	126.7	-172.1	-86	-169.9	-160.4	0	0	112.7	E283 Y287 D288	E283-E285 HydrophobicContact CB-CG 3.79Å; E283-E285 PolarHBondContact O-N 2.69Å; E285-Y287 PolarHBondContact O-N 2.92Å; E285-D288 PolarHBondContact O-N 2.93Å; E285-D288 VanDerWaalsContact O-N 3.09Å
286	F	45.4	Very low	62.1	Low	166 Å²	166	92.5 Å²	92.5	73%	0.728	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-17.1	172.8	-146.1	-94.8	0	0	0	113.2
287	Y	46.7	Very low	60.6	Low	169 Å²	169	96.4 Å²	96.4	66%	0.663	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-21.7	179.7	-64.9	-73.9	0	0	0	113.9	E285 E289 W290 P291	E285-Y287 PolarHBondContact O-N 2.92Å; Y287-E289 VanDerWaalsContact C-N 3.32Å; Y287-W290 WeakPolarHBondContact O-CB 3.45Å; Y287-W290 PolarHBondContact O-N 2.87Å; Y287-P291 WeakPolarHBondContact O-CD 3.48Å
288	D	53.9	Low	59.2	Low	100 Å²	100	103.9 Å²	103.9	54%	0.535	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-26.2	175.6	-76	-22.4	0	0	0	112.2	E285 W290 P291 V292	E285-D288 PolarHBondContact O-N 2.93Å; E285-D288 VanDerWaalsContact O-N 3.09Å; D288-W290 PolarHBondContact O-N 3.06Å; D288-P291 WeakPolarHBondContact O-CD 3.4Å; D288-V292 WeakPolarHBondContact O-CG2 3.33Å
289	E	55.7	Low	58	Low	101 Å²	101	107 Å²	107	47%	0.472	53%	0.534	S	S	.	.	H	α-helix	trans	-66.8	-23.5	170.7	-73.6	-165	173.1	0	0	112.7	Y287 V292 K293	Y287-E289 VanDerWaalsContact C-N 3.32Å; E289-V292 PolarHBondContact O-N 2.6Å; E289-K293 HydrophobicContact CB-CD 4.48Å; E289-K293 VanDerWaalsContact O-CB 3.27Å; E289-K293 WeakPolarHBondContact O-CB 3.49Å; E289-K293 VanDerWaalsContact O-CG 3.28Å; E289-K293 WeakPolarHBondContact O-CG 3.4Å; E289-K293 PolarHBondContact O-N 2.88Å; E289-K293 IonicContact OE2-NZ 2.84Å; E289-K293 PolarHBondContact OE2-NZ 2.91Å
290	W	56.5	Low	57.4	Low	158 Å²	158	109.2 Å²	109.2	60%	0.598	54%	0.54	S	S	*	.	H	α-helix	trans	-74.4	-46.9	-171.8	-159.5	-67.8	0	0	0	112.4	Y287 D288 V292 K293 L294	Y287-W290 WeakPolarHBondContact O-CB 3.45Å; Y287-W290 PolarHBondContact O-N 2.87Å; D288-W290 PolarHBondContact O-N 3.06Å; W290-V292 VanDerWaalsContact C-N 3.28Å; W290-V292 PolarHBondContact O-N 2.93Å; W290-K293 PolarHBondContact O-N 3.36Å; W290-L294 VanDerWaalsContact O-CB 3.29Å; W290-L294 WeakPolarHBondContact O-CB 3.11Å; W290-L294 VanDerWaalsContact O-CG 3.29Å; W290-L294 WeakPolarHBondContact O-CG 3.27Å; W290-L294 PolarHBondContact O-N 2.88Å
291	P	56.6	Low	57.1	Low	41 Å²	41	115 Å²	115	27%	0.266	56%	0.564	S	S	.	*	H	α-helix	trans	-57.7	-38.3	167.1	-23.9	31.8	0	0	0	112.7	Y287 D288 L294 G295 D296 V297	Y287-P291 WeakPolarHBondContact O-CD 3.48Å; D288-P291 WeakPolarHBondContact O-CD 3.4Å; P291-L294 PolarHBondContact O-N 2.88Å; P291-G295 CarbonylContact O-C 3.59Å; P291-G295 PolarHBondContact O-N 2.84Å; P291-D296 HydrophobicContact CB-CB 4.19Å; P291-D296 PolarHBondContact O-N 2.84Å; P291-V297 HydrophobicContact CB-CB 4.35Å; P291-V297 HydrophobicContact CB-CG2 3.9Å
292	V	57.5	Low	57.2	Low	50 Å²	50	111 Å²	111	30%	0.303	55%	0.545	S	S	.	.	H	α-helix	trans	-67.6	-41.2	178.1	176.7	0	0	0	0	111.7	D288 E289 W290 G295 V297 P299	D288-V292 WeakPolarHBondContact O-CG2 3.33Å; E289-V292 PolarHBondContact O-N 2.6Å; W290-V292 VanDerWaalsContact C-N 3.28Å; W290-V292 PolarHBondContact O-N 2.93Å; V292-G295 PolarHBondContact O-N 3.07Å; V292-V297 WeakPolarHBondContact CA-O 3.39Å; V292-P299 HydrophobicContact CG1-CB 3.68Å; V292-P299 HydrophobicContact CG1-CG 3.6Å
293	K	57.8	Low	57.9	Low	163 Å²	163	108.7 Å²	108.7	71%	0.709	54%	0.539	S	S	*	.	H	α-helix	trans	-73.7	-28.2	176	-77.4	171.3	174	160.8	0	113.1	E289 W290 G295	E289-K293 HydrophobicContact CB-CD 4.48Å; E289-K293 VanDerWaalsContact O-CB 3.27Å; E289-K293 WeakPolarHBondContact O-CB 3.49Å; E289-K293 VanDerWaalsContact O-CG 3.28Å; E289-K293 WeakPolarHBondContact O-CG 3.4Å; E289-K293 PolarHBondContact O-N 2.88Å; E289-K293 IonicContact OE2-NZ 2.84Å; E289-K293 PolarHBondContact OE2-NZ 2.91Å; W290-K293 PolarHBondContact O-N 3.36Å; K293-G295 VanDerWaalsContact C-N 3.33Å
294	L	64.9	Low	59.2	Low	112 Å²	112	107.5 Å²	107.5	59%	0.586	53%	0.532	S	S	*	.	H	α-helix	trans	-78.9	-16.3	171.3	-76.2	174.2	0	0	0	112.9	W290 P291	W290-L294 VanDerWaalsContact O-CB 3.29Å; W290-L294 WeakPolarHBondContact O-CB 3.11Å; W290-L294 VanDerWaalsContact O-CG 3.29Å; W290-L294 WeakPolarHBondContact O-CG 3.27Å; W290-L294 PolarHBondContact O-N 2.88Å; P291-L294 PolarHBondContact O-N 2.88Å
295	G	57.3	Low	60.7	Low	62 Å²	62	100 Å²	100	64%	0.639	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	11.8	179.8	0	0	0	0	0	114.9	P291 V292 K293	P291-G295 CarbonylContact O-C 3.59Å; P291-G295 PolarHBondContact O-N 2.84Å; V292-G295 PolarHBondContact O-N 3.07Å; K293-G295 VanDerWaalsContact C-N 3.33Å
296	D	62.7	Low	62.3	Low	124 Å²	124	100 Å²	100	66%	0.663	51%	0.508	S	S	*	.	S	Bend	trans	-79.3	-23.7	-178.4	-65	-38.8	0	0	0	113	P291	P291-D296 HydrophobicContact CB-CB 4.19Å; P291-D296 PolarHBondContact O-N 2.84Å
297	V	61.8	Low	63.5	Low	87 Å²	87	93.8 Å²	93.8	53%	0.527	48%	0.482	S	S	.	.	S	Bend	trans	-139.4	134.3	179.9	-173.7	0	0	0	0	109.7	P291 V292	P291-V297 HydrophobicContact CB-CB 4.35Å; P291-V297 HydrophobicContact CB-CG2 3.9Å; V292-V297 WeakPolarHBondContact CA-O 3.39Å
298	E	59.7	Low	64.7	Low	160 Å²	160	87.2 Å²	87.2	75%	0.748	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-66.5	137.4	175.8	-72.4	-161.8	175.7	0	0	111.2	Y300	E298-Y300 PolarHBondContact O-N 3.2Å
299	P	62.8	Low	65.8	Low	72 Å²	72	83.8 Å²	83.8	47%	0.468	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-61.2	131.3	176.3	-0.3	4	0	0	0	110.5	V292 K301	V292-P299 HydrophobicContact CG1-CB 3.68Å; V292-P299 HydrophobicContact CG1-CG 3.6Å; P299-K301 WeakPolarHBondContact O-CG 3.31Å; P299-K301 PolarHBondContact O-N 2.77Å
300	Y	66.8	Low	67	Low	86 Å²	86	82 Å²	82	34%	0.337	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-58.7	121.2	172.5	-179.9	-99.2	0	0	0	110.7	E298 G302 P303 E310	E298-Y300 PolarHBondContact O-N 3.2Å; Y300-G302 VanDerWaalsContact CE1-O 3.25Å; Y300-G302 WeakPolarHBondContact CE1-O 3.34Å; Y300-G302 VanDerWaalsContact CZ-CA 3.47Å; Y300-P303 WeakPolarHBondContact CE1-O 3.44Å; Y300-E310 WeakPolarHBondContact CB-OE1 3.38Å; Y300-E310 HydrophobicContact CD1-CB 4.26Å; Y300-E310 HydrophobicContact CD1-CG 3.7Å; Y300-E310 HydrophobicContact CD2-CG 4.32Å; Y300-E310 HydrophobicContact CE1-CB 4.04Å; Y300-E310 HydrophobicContact CE1-CG 4.01Å; Y300-E310 HydrophobicContact CG-CG 3.85Å
301	K	63.8	Low	68.2	Low	179 Å²	179	75.2 Å²	75.2	78%	0.778	41%	0.412	S	S	*	.			trans	-100.8	2.7	-178.5	-60.8	-180	-174.4	161	0	113.3	P299	P299-K301 WeakPolarHBondContact O-CG 3.31Å; P299-K301 PolarHBondContact O-N 2.77Å
302	G	67.4	Low	69.6	Low	29 Å²	29	76.8 Å²	76.8	30%	0.299	42%	0.419	S	S	.	.	S	Bend	trans	-80.7	175	179.2	0	0	0	0	0	113	Y300	Y300-G302 VanDerWaalsContact CE1-O 3.25Å; Y300-G302 WeakPolarHBondContact CE1-O 3.34Å; Y300-G302 VanDerWaalsContact CZ-CA 3.47Å
303	P	73.1	Confident	71	Confident	42 Å²	42	75.1 Å²	75.1	27%	0.273	41%	0.408	S	S	.	.			trans	-67	146.2	180	29.4	-33.9	0	0	0	111	Y300 I311 T346 E350	Y300-P303 WeakPolarHBondContact CE1-O 3.44Å; P303-I311 HydrophobicContact CB-CD1 3.99Å; P303-I311 HydrophobicContact CG-CD1 4.19Å; P303-I311 WeakPolarHBondContact O-CG1 3.46Å; P303-I311 PolarHBondContact O-N 3.29Å; P303-T346 HydrophobicContact CB-CG2 4.41Å; P303-T346 HydrophobicContact CG-CG2 3.52Å; P303-E350 HydrophobicContact CB-CG 4.39Å
304	K	79.8	Confident	72.3	Confident	102 Å²	102	70.8 Å²	70.8	44%	0.443	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-117.7	150	-178.8	-66.3	-175.4	177.5	-168.6	0	110	R309	K304-R309 CarbonylContact C-O 3.59Å; K304-R309 WeakPolarHBondContact CA-O 3.27Å; K304-R309 WeakPolarHBondContact CB-O 3.35Å
305	T	78.9	Confident	73.4	Confident	6 Å²	6	67 Å²	67	4%	0.037	37%	0.366	C	S	.	.			trans	-64.6	162.9	171	58.9	0	0	0	0	110.7	L278 D307 G308 R309 I311	L278-T305 HydrophobicContact CD1-CG2 4.1Å; T305-D307 WeakPolarHBondContact CB-OD1 3.36Å; T305-D307 PolarHBondContact O-N 2.73Å; T305-D307 VanDerWaalsContact O-N 3.1Å; T305-D307 PolarHBondContact OG1-OD1 3.3Å; T305-G308 WeakPolarHBondContact O-CA 3.21Å; T305-G308 PolarHBondContact O-N 3.48Å; T305-R309 PolarHBondContact N-O 2.82Å; T305-R309 WeakPolarHBondContact OG1-CB 3.45Å; T305-R309 PolarHBondContact OG1-N 3.4Å; T305-R309 PolarHBondContact OG1-O 3.47Å; T305-I311 HydrophobicContact CG2-CG1 3.75Å
306	P	78.6	Confident	75	Confident	91 Å²	91	64.2 Å²	64.2	59%	0.591	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.1	178.8	-26.8	35	0	0	0	114	G308 A349 E350 I395	P306-G308 VanDerWaalsContact C-N 3.32Å; P306-A349 WeakPolarHBondContact CD-O 3.49Å; P306-E350 VanDerWaalsContact CD-O 3.29Å; P306-E350 WeakPolarHBondContact CD-O 3.4Å; P306-E350 WeakPolarHBondContact CG-O 3.29Å; P306-I395 HydrophobicContact CG-CD1 4.15Å
307	D	72.2	Confident	76.3	Confident	35 Å²	35	58.4 Å²	58.4	19%	0.187	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.5	175.6	62.9	-45.9	0	0	0	113.7	K284 T305 R309	K284-D307 WeakPolarHBondContact CD-O 3.19Å; K284-D307 WeakPolarHBondContact CE-O 3.4Å; K284-D307 PolarHBondContact NZ-O 3.36Å; T305-D307 WeakPolarHBondContact CB-OD1 3.36Å; T305-D307 PolarHBondContact O-N 2.73Å; T305-D307 VanDerWaalsContact O-N 3.1Å; T305-D307 PolarHBondContact OG1-OD1 3.3Å; D307-R309 IonicContact OD2-CZ 2.75Å; D307-R309 IonicContact OD2-NE 2.69Å; D307-R309 PolarHBondContact OD2-NE 3.22Å; D307-R309 IonicContact OD2-NH2 3.81Å; D307-R309 PolarHBondContact OD2-NH2 2.95Å
308	G	71.7	Confident	77.7	Confident	32 Å²	32	54.4 Å²	54.4	33%	0.33	28%	0.281	S	S	.	.	S	Bend	trans	92.6	12.2	168.2	0	0	0	0	0	115.8	T305 P306	T305-G308 WeakPolarHBondContact O-CA 3.21Å; T305-G308 PolarHBondContact O-N 3.48Å; P306-G308 VanDerWaalsContact C-N 3.32Å
309	R	75.9	Confident	79.1	Confident	27 Å²	27	46.8 Å²	46.8	10%	0.102	25%	0.245	C	C	.	.			trans	-82.8	152.8	175.9	-73.8	-175.7	-82.7	-161.9	-14.7	111.5	M280 K282 K304 T305 D307 E394	M280-R309 PolarHBondContact SD-NH1 3.27Å; K282-R309 WeakPolarHBondContact O-CD 3.43Å; K304-R309 CarbonylContact C-O 3.59Å; K304-R309 WeakPolarHBondContact CA-O 3.27Å; K304-R309 WeakPolarHBondContact CB-O 3.35Å; T305-R309 PolarHBondContact N-O 2.82Å; T305-R309 WeakPolarHBondContact OG1-CB 3.45Å; T305-R309 PolarHBondContact OG1-N 3.4Å; T305-R309 PolarHBondContact OG1-O 3.47Å; D307-R309 IonicContact OD2-CZ 2.75Å; D307-R309 IonicContact OD2-NE 2.69Å; D307-R309 PolarHBondContact OD2-NE 3.22Å; D307-R309 IonicContact OD2-NH2 3.81Å; D307-R309 PolarHBondContact OD2-NH2 2.95Å; R309-E394 IonicContact CZ-OE2 3.14Å; R309-E394 IonicContact NH1-OE2 2.85Å; R309-E394 VanDerWaalsContact NH2-CD 3.32Å; R309-E394 IonicContact NH2-OE2 2.87Å; R309-E394 PolarHBondContact NH2-OE2 3.11Å
310	E	81.3	Confident	80.3	Confident	64 Å²	64	44 Å²	44	30%	0.299	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-65.1	132.7	171.9	-59.6	-178.6	165.1	0	0	109.8	K282 Y300 N312	K282-E310 IonicContact NZ-OE2 3.87Å; K282-E310 PolarHBondContact NZ-OE2 3.43Å; Y300-E310 WeakPolarHBondContact CB-OE1 3.38Å; Y300-E310 HydrophobicContact CD1-CB 4.26Å; Y300-E310 HydrophobicContact CD1-CG 3.7Å; Y300-E310 HydrophobicContact CD2-CG 4.32Å; Y300-E310 HydrophobicContact CE1-CB 4.04Å; Y300-E310 HydrophobicContact CE1-CG 4.01Å; Y300-E310 HydrophobicContact CG-CG 3.85Å; E310-N312 PolarHBondContact O-N 3.33Å
311	I	82.9	Confident	81.1	Confident	15 Å²	15	40.9 Å²	40.9	8%	0.077	22%	0.215	C	C	.	.			trans	-77.9	97.9	174.1	-61.5	172.6	0	0	0	107.8	L278 P303 T305 F313 T346 A349 E350	L278-I311 HydrophobicContact CD2-CG2 3.98Å; P303-I311 HydrophobicContact CB-CD1 3.99Å; P303-I311 HydrophobicContact CG-CD1 4.19Å; P303-I311 WeakPolarHBondContact O-CG1 3.46Å; P303-I311 PolarHBondContact O-N 3.29Å; T305-I311 HydrophobicContact CG2-CG1 3.75Å; I311-F313 HydrophobicContact CG2-CD2 4.42Å; I311-F313 HydrophobicContact CG2-CE2 3.87Å; I311-F313 HydrophobicContact CG2-CZ 4.31Å; I311-T346 HydrophobicContact CD1-CG2 4.36Å; I311-T346 HydrophobicContact CG2-CG2 4.32Å; I311-A349 HydrophobicContact CD1-CB 3.98Å; I311-A349 HydrophobicContact CG1-CB 4.3Å; I311-A349 HydrophobicContact CG2-CB 4.05Å; I311-E350 HydrophobicContact CD1-CB 3.81Å
312	N	84.6	Confident	81.5	Confident	75 Å²	75	35.1 Å²	35.1	40%	0.401	19%	0.191	S	C	.	.			trans	-128.8	109.3	174.1	-173.7	23.7	0	0	0	110.1	D279 E310 Y314	D279-N312 PolarHBondContact N-O 2.96Å; E310-N312 PolarHBondContact O-N 3.33Å; N312-Y314 PolarHBondContact O-N 3.48Å
313	F	86.5	Confident	81.5	Confident	15 Å²	15	39.8 Å²	39.8	7%	0.066	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	101.2	173.2	-65.8	-75.7	0	0	0	108.8	L277 L278 I311 K315 P333 L340 P345 A349 V398	L277-F313 WeakPolarHBondContact O-CA 3.37Å; L278-F313 HydrophobicContact CD2-CD1 3.71Å; L278-F313 HydrophobicContact CD2-CE1 3.62Å; L278-F313 HydrophobicContact CD2-CE2 4.42Å; L278-F313 HydrophobicContact CD2-CG 4.18Å; L278-F313 HydrophobicContact CD2-CZ 4Å; L278-F313 HydrophobicContact CG-CD1 4.34Å; L278-F313 HydrophobicContact CG-CE1 4.14Å; I311-F313 HydrophobicContact CG2-CD2 4.42Å; I311-F313 HydrophobicContact CG2-CE2 3.87Å; I311-F313 HydrophobicContact CG2-CZ 4.31Å; F313-K315 VanDerWaalsContact C-N 3.29Å; F313-P333 HydrophobicContact CB-CG 4.15Å; F313-P333 WeakPolarHBondContact O-CD 3.34Å; F313-P333 WeakPolarHBondContact O-CG 3.45Å; F313-L340 HydrophobicContact CB-CD1 4.5Å; F313-L340 HydrophobicContact CD2-CD1 4.24Å; F313-L340 HydrophobicContact CD2-CD2 3.83Å; F313-L340 HydrophobicContact CE2-CD2 3.92Å; F313-L340 HydrophobicContact CG-CD2 4.32Å; F313-L340 HydrophobicContact CZ-CD2 4.47Å; F313-P345 HydrophobicContact CE2-CB 4.45Å; F313-P345 HydrophobicContact CZ-CB 4.13Å; F313-A349 HydrophobicContact CZ-CB 4.29Å; F313-V398 HydrophobicContact CE1-CB 4.24Å; F313-V398 HydrophobicContact CE1-CG2 4.12Å; F313-V398 HydrophobicContact CZ-CB 4.44Å; F313-V398 HydrophobicContact CZ-CG2 4.11Å
314	Y	85.6	Confident	81.5	Confident	71 Å²	71	46.2 Å²	46.2	28%	0.278	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-18.5	-179.9	80.5	-83.5	0	0	0	112.5	E254 L277 L278 D279 N312 G332	E254-Y314 WeakPolarHBondContact OE1-CE2 3.35Å; E254-Y314 PolarHBondContact OE1-OH 2.88Å; E254-Y314 VanDerWaalsContact OE1-OH 3.05Å; L277-Y314 HydrophobicContact CB-CD1 4.21Å; L277-Y314 HydrophobicContact CB-CE1 3.48Å; L277-Y314 VanDerWaalsContact CB-CE1 3.48Å; L277-Y314 VanDerWaalsContact O-CD1 3.27Å; L277-Y314 WeakPolarHBondContact O-CD1 3.42Å; L277-Y314 PolarHBondContact O-N 3.5Å; L277-Y314 VanDerWaalsContact O-N 3.14Å; L278-Y314 WeakPolarHBondContact O-CD1 3.04Å; L278-Y314 VanDerWaalsContact O-CE1 3.31Å; L278-Y314 WeakPolarHBondContact O-CE1 3.43Å; D279-Y314 HydrophobicContact CB-CD1 4.23Å; N312-Y314 PolarHBondContact O-N 3.48Å; Y314-G332 PolarHBondContact O-N 3.28Å
315	K	88.3	Confident	81.6	Confident	34 Å²	34	45.8 Å²	45.8	15%	0.148	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	141.7	-178.5	-170.8	167.3	-76	169.2	0	111.5	E254 L277 F313 V329 I330	E254-K315 HydrophobicContact CG-CD 4.44Å; E254-K315 WeakPolarHBondContact OE1-CD 3.43Å; E254-K315 WeakPolarHBondContact OE1-CE 3.39Å; E254-K315 IonicContact OE1-NZ 3.29Å; E254-K315 PolarHBondContact OE1-NZ 3.15Å; E254-K315 WeakPolarHBondContact OE2-CD 3.35Å; E254-K315 IonicContact OE2-NZ 2.66Å; E254-K315 PolarHBondContact OE2-NZ 3.47Å; L277-K315 PolarHBondContact N-O 2.6Å; F313-K315 VanDerWaalsContact C-N 3.29Å; K315-V329 HydrophobicContact CD-CG1 4.03Å; K315-V329 HydrophobicContact CG-CG1 4.22Å; K315-I330 WeakPolarHBondContact CA-O 3.47Å
316	I	90.4	Very high	81.9	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.6	171	-80.1	177.1	0	0	0	110.3	V275 D318 I330 P333 L340	V275-I316 CarbonylContact O-C 3.58Å; V275-I316 WeakPolarHBondContact O-CA 3.47Å; I316-D318 WeakPolarHBondContact CG2-OD1 3.32Å; I316-I330 PolarHBondContact N-O 3.44Å; I316-I330 PolarHBondContact O-N 3.28Å; I316-P333 HydrophobicContact CB-CB 4.35Å; I316-P333 HydrophobicContact CB-CG 4.44Å; I316-P333 HydrophobicContact CD1-CB 3.73Å; I316-P333 HydrophobicContact CD1-CG 3.79Å; I316-P333 HydrophobicContact CG1-CB 4.17Å; I316-P333 HydrophobicContact CG1-CG 3.94Å; I316-L340 HydrophobicContact CD1-CD1 3.51Å; I316-L340 HydrophobicContact CD1-CD2 3.81Å; I316-L340 HydrophobicContact CD1-CG 3.5Å; I316-L340 VanDerWaalsContact CD1-CG 3.5Å
317	I	90.6	Very high	82.2	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	111.2	171.3	-49.3	174.3	0	0	0	108.2	S274 V275 Y319 I327 K328 V329	S274-I317 CarbonylContact C-O 3.56Å; S274-I317 WeakPolarHBondContact CA-O 3.18Å; V275-I317 PolarHBondContact N-O 3.04Å; V275-I317 PolarHBondContact O-N 2.91Å; I317-Y319 HydrophobicContact CB-CE2 4.02Å; I317-Y319 HydrophobicContact CG2-CD2 4.17Å; I317-Y319 HydrophobicContact CG2-CE1 4.46Å; I317-Y319 HydrophobicContact CG2-CE2 3.41Å; I317-Y319 VanDerWaalsContact CG2-CE2 3.41Å; I317-I327 HydrophobicContact CG2-CG2 4.09Å; I317-K328 WeakPolarHBondContact CA-O 3.5Å; I317-V329 HydrophobicContact CG1-CG1 4.49Å; I317-V329 HydrophobicContact CG1-CG2 4.49Å; I317-V329 HydrophobicContact CG2-CG2 4.22Å
318	D	90.1	Very high	82.9	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.011	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.9	177.4	-73.1	-17	0	0	0	111.1	S274 I316 I327 K328 H337 W338	S274-D318 WeakPolarHBondContact CB-OD1 3.45Å; I316-D318 WeakPolarHBondContact CG2-OD1 3.32Å; D318-I327 VanDerWaalsContact O-CA 3.32Å; D318-I327 WeakPolarHBondContact O-CA 3.43Å; D318-K328 HydrophobicContact CB-CB 4.31Å; D318-K328 PolarHBondContact N-O 2.87Å; D318-K328 PolarHBondContact O-N 3.48Å; D318-H337 IonicContact OD1-CE1 3.94Å; D318-H337 IonicContact OD2-CE1 3.09Å; D318-H337 PolarHBondContact OD2-CE1 2.96Å; D318-H337 IonicContact OD2-NE2 3.86Å; D318-H337 PolarHBondContact OD2-NE2 2.79Å; D318-H337 VanDerWaalsContact OD2-NE2 3.11Å; D318-W338 HydrophobicContact CB-CZ2 4.3Å; D318-W338 PolarHBondContact OD2-NE1 3.24Å; D318-W338 VanDerWaalsContact OD2-NE1 3.12Å
319	Y	90.3	Very high	83.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	102.2	175.9	-61.2	-99.3	0	0	0	109	H258 L261 R272 Y273 I317 I327	H258-Y319 WeakPolarHBondContact CA-OH 3.33Å; L261-Y319 HydrophobicContact CB-CE1 4.34Å; L261-Y319 HydrophobicContact CB-CE2 4.32Å; L261-Y319 HydrophobicContact CD1-CE2 4.25Å; R272-Y319 WeakPolarHBondContact CA-O 3.39Å; Y273-Y319 AromaticContact CD2-CD2 3.39Å; Y273-Y319 HydrophobicContact CD2-CD2 3.39Å; Y273-Y319 HydrophobicContact CD2-CE2 4.04Å; Y273-Y319 AromaticContact CD2-CG 3.77Å; Y273-Y319 HydrophobicContact CD2-CG 3.77Å; Y273-Y319 HydrophobicContact CE1-CG 4.3Å; Y273-Y319 AromaticContact CE2-CD1 3.73Å; Y273-Y319 HydrophobicContact CE2-CD1 3.73Å; Y273-Y319 AromaticContact CE2-CD2 3.05Å; Y273-Y319 HydrophobicContact CE2-CD2 3.05Å; Y273-Y319 HydrophobicContact CE2-CE1 4.12Å; Y273-Y319 AromaticContact CE2-CE2 3.51Å; Y273-Y319 HydrophobicContact CE2-CE2 3.51Å; Y273-Y319 AromaticContact CE2-CG 3.16Å; Y273-Y319 HydrophobicContact CE2-CG 3.16Å; Y273-Y319 HydrophobicContact CG-CD2 4.4Å; Y273-Y319 AromaticContact CZ-CD1 3.73Å; Y273-Y319 AromaticContact CZ-CD2 3.87Å; Y273-Y319 AromaticContact CZ-CG 3.44Å; Y273-Y319 VanDerWaalsContact CZ-CG 3.44Å; Y273-Y319 PolarHBondContact N-O 3.1Å; Y273-Y319 WeakPolarHBondContact O-CB 3.21Å; Y273-Y319 PolarHBondContact O-N 3.09Å; Y273-Y319 WeakPolarHBondContact OH-CD1 3.16Å; I317-Y319 HydrophobicContact CB-CE2 4.02Å; I317-Y319 HydrophobicContact CG2-CD2 4.17Å; I317-Y319 HydrophobicContact CG2-CE1 4.46Å; I317-Y319 HydrophobicContact CG2-CE2 3.41Å; I317-Y319 VanDerWaalsContact CG2-CE2 3.41Å; Y319-I327 HydrophobicContact CD1-CD1 4.27Å; Y319-I327 HydrophobicContact CD1-CG1 4.14Å; Y319-I327 HydrophobicContact CD1-CG2 4.2Å; Y319-I327 HydrophobicContact CE1-CD1 4.33Å; Y319-I327 HydrophobicContact CE1-CG2 4.16Å
320	L	88.2	Confident	84	Confident	14 Å²	14	53.6 Å²	53.6	7%	0.073	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	103.9	179.4	-49.3	178.7	0	0	0	107.9	R272 E325 E326 K328 W338	R272-L320 HydrophobicContact CG-CD2 4.28Å; L320-E325 WeakPolarHBondContact O-CA 3.36Å; L320-E326 HydrophobicContact CB-CB 4.34Å; L320-E326 PolarHBondContact N-O 3.45Å; L320-E326 PolarHBondContact O-N 3.25Å; L320-K328 HydrophobicContact CD1-CD 4.18Å; L320-W338 HydrophobicContact CD2-CZ2 4.15Å
321	L	82.4	Confident	84.2	Confident	20 Å²	20	55.1 Å²	55.1	11%	0.105	29%	0.291	C	S	.	.			trans	-104.2	7.8	-170.1	-52.3	-179.8	0	0	0	114.2	R265 E271 Y273 E325	R265-L321 HydrophobicContact CB-CD1 4.12Å; E271-L321 WeakPolarHBondContact O-CB 3.48Å; E271-L321 PolarHBondContact O-N 2.95Å; Y273-L321 HydrophobicContact CD1-CD1 4.28Å; Y273-L321 HydrophobicContact CE1-CD1 3.69Å; L321-E325 HydrophobicContact CD2-CG 4.24Å
322	E	72.6	Confident	84.3	Confident	59 Å²	59	57 Å²	57	28%	0.276	32%	0.315	S	S	.	.	S	Bend	trans	-77.7	127.9	176.6	-78.5	157.2	-130.9	0	0	111.6	R272 K324 S376 F378	R272-E322 IonicContact CZ-OE1 2.95Å; R272-E322 IonicContact CZ-OE2 3.43Å; R272-E322 IonicContact NE-OE1 3.43Å; R272-E322 PolarHBondContact NE-OE1 2.98Å; R272-E322 IonicContact NE-OE2 2.73Å; R272-E322 IonicContact NH2-OE1 3.05Å; R272-E322 PolarHBondContact NH2-OE1 3.05Å; R272-E322 IonicContact NH2-OE2 3.7Å; R272-E322 PolarHBondContact NH2-OE2 3.46Å; E322-K324 CarbonylContact O-C 3.51Å; E322-K324 PolarHBondContact O-N 3.08Å; E322-S376 PolarHBondContact OE2-OG 2.84Å; E322-F378 WeakPolarHBondContact OE1-CD2 3.26Å; E322-F378 WeakPolarHBondContact OE1-CE2 3.33Å
323	A	67.1	Low	84.4	Confident	126 Å²	126	54.4 Å²	54.4	100%	1.041	30%	0.302	S	S	*	.	S	Bend	trans	54.3	-56.4	173.1	0	0	0	0	0	117
324	K	74.1	Confident	84.3	Confident	178 Å²	178	56.8 Å²	56.8	77%	0.774	32%	0.319	S	S	*	.	S	Bend	trans	-123	114.6	171.8	-175.7	-178.1	179	-171.7	0	108.5	E322 E326	E322-K324 CarbonylContact O-C 3.51Å; E322-K324 PolarHBondContact O-N 3.08Å; K324-E326 PolarHBondContact O-N 3.13Å; K324-E326 VanDerWaalsContact O-N 3.17Å
325	E	81.4	Confident	83.8	Confident	93 Å²	93	58 Å²	58	44%	0.435	34%	0.344	S	S	.	.			trans	-61.7	118.2	176.9	-62.4	-173	153.4	0	0	110.1	R265 L320 L321	R265-E325 IonicContact CZ-OE1 2.69Å; R265-E325 IonicContact CZ-OE2 2.72Å; R265-E325 VanDerWaalsContact NE-CD 3.34Å; R265-E325 IonicContact NE-OE1 3.52Å; R265-E325 PolarHBondContact NE-OE1 3.35Å; R265-E325 IonicContact NE-OE2 3.6Å; R265-E325 PolarHBondContact NE-OE2 2.82Å; R265-E325 IonicContact NH2-OE1 2.74Å; R265-E325 PolarHBondContact NH2-OE1 3.2Å; R265-E325 IonicContact NH2-OE2 3.17Å; R265-E325 PolarHBondContact NH2-OE2 2.93Å; L320-E325 WeakPolarHBondContact O-CA 3.36Å; L321-E325 HydrophobicContact CD2-CG 4.24Å
326	E	84.8	Confident	83.5	Confident	96 Å²	96	62 Å²	62	45%	0.449	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.5	175.8	-169.2	-179.6	-166.8	0	0	109.5	L320 K324 K328	L320-E326 HydrophobicContact CB-CB 4.34Å; L320-E326 PolarHBondContact N-O 3.45Å; L320-E326 PolarHBondContact O-N 3.25Å; K324-E326 PolarHBondContact O-N 3.13Å; K324-E326 VanDerWaalsContact O-N 3.17Å; E326-K328 HydrophobicContact CG-CG 4.36Å; E326-K328 WeakPolarHBondContact OE1-CE 3.39Å; E326-K328 IonicContact OE1-NZ 3.77Å; E326-K328 WeakPolarHBondContact OE2-CE 3.49Å; E326-K328 IonicContact OE2-NZ 3.42Å; E326-K328 PolarHBondContact OE2-NZ 3.48Å
327	I	85.6	Confident	83.3	Confident	56 Å²	56	62.7 Å²	62.7	29%	0.287	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.6	178.8	-51.7	172.2	0	0	0	107.8	Y262 I317 D318 Y319	Y262-I327 HydrophobicContact CD2-CD1 3.43Å; Y262-I327 VanDerWaalsContact CD2-CD1 3.43Å; Y262-I327 HydrophobicContact CE2-CD1 3.71Å; Y262-I327 HydrophobicContact CG-CD1 4.3Å; I317-I327 HydrophobicContact CG2-CG2 4.09Å; D318-I327 VanDerWaalsContact O-CA 3.32Å; D318-I327 WeakPolarHBondContact O-CA 3.43Å; Y319-I327 HydrophobicContact CD1-CD1 4.27Å; Y319-I327 HydrophobicContact CD1-CG1 4.14Å; Y319-I327 HydrophobicContact CD1-CG2 4.2Å; Y319-I327 HydrophobicContact CE1-CD1 4.33Å; Y319-I327 HydrophobicContact CE1-CG2 4.16Å
328	K	85.8	Confident	83	Confident	82 Å²	82	64.4 Å²	64.4	36%	0.357	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.9	-179.5	-63.1	179.8	-175.7	169.6	0	109.3	I317 D318 L320 E326 I330	I317-K328 WeakPolarHBondContact CA-O 3.5Å; D318-K328 HydrophobicContact CB-CB 4.31Å; D318-K328 PolarHBondContact N-O 2.87Å; D318-K328 PolarHBondContact O-N 3.48Å; L320-K328 HydrophobicContact CD1-CD 4.18Å; E326-K328 HydrophobicContact CG-CG 4.36Å; E326-K328 WeakPolarHBondContact OE1-CE 3.39Å; E326-K328 IonicContact OE1-NZ 3.77Å; E326-K328 WeakPolarHBondContact OE2-CE 3.49Å; E326-K328 IonicContact OE2-NZ 3.42Å; E326-K328 PolarHBondContact OE2-NZ 3.48Å; K328-I330 HydrophobicContact CB-CG1 4.43Å
329	V	85.8	Confident	82.7	Confident	79 Å²	79	64.3 Å²	64.3	48%	0.479	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.8	172.7	-177.1	0	0	0	0	107.5	K315 I317	K315-V329 HydrophobicContact CD-CG1 4.03Å; K315-V329 HydrophobicContact CG-CG1 4.22Å; I317-V329 HydrophobicContact CG1-CG1 4.49Å; I317-V329 HydrophobicContact CG1-CG2 4.49Å; I317-V329 HydrophobicContact CG2-CG2 4.22Å
330	I	86	Confident	82.4	Confident	41 Å²	41	65.4 Å²	65.4	21%	0.21	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	105.9	-172.5	-55.7	170.8	0	0	0	108.4	K315 I316 K328 P333 H337	K315-I330 WeakPolarHBondContact CA-O 3.47Å; I316-I330 PolarHBondContact N-O 3.44Å; I316-I330 PolarHBondContact O-N 3.28Å; K328-I330 HydrophobicContact CB-CG1 4.43Å; I330-P333 HydrophobicContact CG2-CB 4.41Å; I330-H337 WeakPolarHBondContact CD1-NE2 3.23Å
331	P	86.1	Confident	82.2	Confident	97 Å²	97	67.1 Å²	67.1	63%	0.63	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	134	169.7	30.8	-31.2	0	0	0	109.8
332	G	83.5	Confident	82.2	Confident	55 Å²	55	66.3 Å²	66.3	57%	0.567	39%	0.388	S	S	*	.	S	Bend	trans	58.4	62.7	-178.5	0	0	0	0	0	112.7	Y314	Y314-G332 PolarHBondContact O-N 3.28Å
333	P	86.6	Confident	82.8	Confident	19 Å²	19	64.9 Å²	64.9	12%	0.123	39%	0.39	C	S	.	.			trans	-55.7	137.7	-178.5	26.3	-36.8	0	0	0	111.4	F313 I316 I330 L340	F313-P333 HydrophobicContact CB-CG 4.15Å; F313-P333 WeakPolarHBondContact O-CD 3.34Å; F313-P333 WeakPolarHBondContact O-CG 3.45Å; I316-P333 HydrophobicContact CB-CB 4.35Å; I316-P333 HydrophobicContact CB-CG 4.44Å; I316-P333 HydrophobicContact CD1-CB 3.73Å; I316-P333 HydrophobicContact CD1-CG 3.79Å; I316-P333 HydrophobicContact CG1-CB 4.17Å; I316-P333 HydrophobicContact CG1-CG 3.94Å; I330-P333 HydrophobicContact CG2-CB 4.41Å; P333-L340 HydrophobicContact CB-CD1 4.18Å; P333-L340 HydrophobicContact CG-CD1 4.08Å
334	P	84.8	Confident	83.9	Confident	66 Å²	66	59 Å²	59	43%	0.429	34%	0.34	S	S	.	.			trans	-69.9	153.6	178.1	34.1	-37.8	0	0	0	110.3	D336 H337	P334-D336 VanDerWaalsContact CB-OD1 3.26Å; P334-D336 WeakPolarHBondContact CB-OD1 3.26Å; P334-D336 PolarHBondContact O-N 3.36Å; P334-H337 HydrophobicContact CG-CB 4.28Å; P334-H337 WeakPolarHBondContact O-CB 3.45Å; P334-H337 PolarHBondContact O-N 2.85Å
335	A	76	Confident	84.7	Confident	97 Å²	97	50.7 Å²	50.7	80%	0.802	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.2	-174.6	0	0	0	0	0	113.6	H337	A335-H337 VanDerWaalsContact C-N 3.32Å
336	D	80.6	Confident	85	Confident	117 Å²	117	48.1 Å²	48.1	63%	0.626	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	8.2	176.6	63.7	-21.4	0	0	0	113.4	P334 W338	P334-D336 VanDerWaalsContact CB-OD1 3.26Å; P334-D336 WeakPolarHBondContact CB-OD1 3.26Å; P334-D336 PolarHBondContact O-N 3.36Å; D336-W338 PolarHBondContact O-N 2.9Å
337	H	86.4	Confident	85.2	Confident	16 Å²	16	46.6 Å²	46.6	7%	0.074	29%	0.286	C	S	.	.			trans	-54.8	129.5	176.2	-171.7	-91.9	0	0	0	111	D318 I330 P334 A335 A339 L340 V341	D318-H337 IonicContact OD1-CE1 3.94Å; D318-H337 IonicContact OD2-CE1 3.09Å; D318-H337 PolarHBondContact OD2-CE1 2.96Å; D318-H337 IonicContact OD2-NE2 3.86Å; D318-H337 PolarHBondContact OD2-NE2 2.79Å; D318-H337 VanDerWaalsContact OD2-NE2 3.11Å; I330-H337 WeakPolarHBondContact CD1-NE2 3.23Å; P334-H337 HydrophobicContact CG-CB 4.28Å; P334-H337 WeakPolarHBondContact O-CB 3.45Å; P334-H337 PolarHBondContact O-N 2.85Å; A335-H337 VanDerWaalsContact C-N 3.32Å; H337-A339 PolarHBondContact ND1-N 3.38Å; H337-A339 PolarHBondContact O-N 2.97Å; H337-L340 HydrophobicContact CB-CB 4.42Å; H337-L340 HydrophobicContact CB-CD1 4.49Å; H337-L340 HydrophobicContact CB-CG 4.5Å; H337-L340 PolarHBondContact O-N 2.85Å; H337-V341 WeakPolarHBondContact O-CB 3.4Å; H337-V341 PolarHBondContact O-N 3.45Å
338	W	84.4	Confident	85.5	Confident	39 Å²	39	43.9 Å²	43.9	15%	0.148	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.4	-172	66.3	-87	0	0	0	114.3	R272 D318 L320 D336 V373 F402	R272-W338 HydrophobicContact CB-CH2 4.45Å; D318-W338 HydrophobicContact CB-CZ2 4.3Å; D318-W338 PolarHBondContact OD2-NE1 3.24Å; D318-W338 VanDerWaalsContact OD2-NE1 3.12Å; L320-W338 HydrophobicContact CD2-CZ2 4.15Å; D336-W338 PolarHBondContact O-N 2.9Å; W338-V373 HydrophobicContact CB-CB 4.36Å; W338-F402 HydrophobicContact CH2-CD2 4.08Å; W338-F402 AromaticContact CH2-CE2 3.87Å; W338-F402 HydrophobicContact CH2-CE2 3.87Å; W338-F402 HydrophobicContact CH2-CZ 4.5Å; W338-F402 HydrophobicContact CZ3-CD1 4.44Å; W338-F402 AromaticContact CZ3-CD2 3.81Å; W338-F402 HydrophobicContact CZ3-CD2 3.81Å; W338-F402 HydrophobicContact CZ3-CE1 4.25Å; W338-F402 AromaticContact CZ3-CE2 3.56Å; W338-F402 HydrophobicContact CZ3-CE2 3.56Å; W338-F402 HydrophobicContact CZ3-CG 4.26Å; W338-F402 AromaticContact CZ3-CZ 3.8Å; W338-F402 HydrophobicContact CZ3-CZ 3.8Å
339	A	83.4	Confident	85.6	Confident	0 Å²	0	40 Å²	40	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-28.2	177	0	0	0	0	0	113.6	S274 H337 P345 F402	S274-A339 WeakPolarHBondContact OG-CB 3.3Å; H337-A339 PolarHBondContact ND1-N 3.38Å; H337-A339 PolarHBondContact O-N 2.97Å; A339-P345 VanDerWaalsContact O-CG 3.27Å; A339-P345 WeakPolarHBondContact O-CG 3.37Å; A339-F402 HydrophobicContact CB-CE2 4.49Å; A339-F402 HydrophobicContact CB-CZ 4.24Å
340	L	84.6	Confident	85.8	Confident	23 Å²	23	40.1 Å²	40.1	12%	0.12	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-28.5	-176.6	-66.3	-176.9	0	0	0	113.4	F313 I316 P333 H337 S342 G343 P345	F313-L340 HydrophobicContact CB-CD1 4.5Å; F313-L340 HydrophobicContact CD2-CD1 4.24Å; F313-L340 HydrophobicContact CD2-CD2 3.83Å; F313-L340 HydrophobicContact CE2-CD2 3.92Å; F313-L340 HydrophobicContact CG-CD2 4.32Å; F313-L340 HydrophobicContact CZ-CD2 4.47Å; I316-L340 HydrophobicContact CD1-CD1 3.51Å; I316-L340 HydrophobicContact CD1-CD2 3.81Å; I316-L340 HydrophobicContact CD1-CG 3.5Å; I316-L340 VanDerWaalsContact CD1-CG 3.5Å; P333-L340 HydrophobicContact CB-CD1 4.18Å; P333-L340 HydrophobicContact CG-CD1 4.08Å; H337-L340 HydrophobicContact CB-CB 4.42Å; H337-L340 HydrophobicContact CB-CD1 4.49Å; H337-L340 HydrophobicContact CB-CG 4.5Å; H337-L340 PolarHBondContact O-N 2.85Å; L340-S342 PolarHBondContact O-N 2.96Å; L340-S342 VanDerWaalsContact O-N 3.07Å; L340-G343 PolarHBondContact O-N 3.06Å; L340-P345 HydrophobicContact CD2-CB 3.91Å; L340-P345 HydrophobicContact CD2-CG 4.05Å
341	V	83.4	Confident	85.9	Confident	50 Å²	50	40.8 Å²	40.8	30%	0.303	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.7	-171.3	73.4	0	0	0	0	113.6	H337 G343 T367	H337-V341 WeakPolarHBondContact O-CB 3.4Å; H337-V341 PolarHBondContact O-N 3.45Å; V341-G343 PolarHBondContact O-N 3.37Å; V341-T367 PolarHBondContact O-OG1 3.4Å
342	S	83.3	Confident	85.9	Confident	4 Å²	4	37.6 Å²	37.6	3%	0.028	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.5	175.9	62	0	0	0	0	113.3	L340 L344 F366 T367 F368	L340-S342 PolarHBondContact O-N 2.96Å; L340-S342 VanDerWaalsContact O-N 3.07Å; S342-L344 PolarHBondContact O-N 3.02Å; S342-L344 PolarHBondContact OG-N 3.46Å; S342-F366 WeakPolarHBondContact O-CD1 2.94Å; S342-T367 PolarHBondContact O-N 2.99Å; S342-F368 VanDerWaalsContact CB-CE1 3.47Å
343	G	85.2	Confident	86	Confident	29 Å²	29	40.7 Å²	40.7	30%	0.299	24%	0.237	S	C	.	.	S	Bend	trans	76	-6.4	-171.2	0	0	0	0	0	114	L340 V341 T346 Y347	L340-G343 PolarHBondContact O-N 3.06Å; V341-G343 PolarHBondContact O-N 3.37Å; G343-T346 PolarHBondContact O-N 3Å; G343-Y347 PolarHBondContact O-N 3.4Å
344	L	89.9	Confident	86.2	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-47.9	-177.6	178.7	68.1	0	0	0	112.7	S342 T346 Y347 V348 C355 M357 F366 F368 V383	S342-L344 PolarHBondContact O-N 3.02Å; S342-L344 PolarHBondContact OG-N 3.46Å; L344-T346 VanDerWaalsContact C-N 3.26Å; L344-T346 PolarHBondContact O-N 3.2Å; L344-Y347 PolarHBondContact O-N 3.07Å; L344-V348 HydrophobicContact CD1-CG2 4.23Å; L344-V348 HydrophobicContact CG-CG2 4.45Å; L344-V348 WeakPolarHBondContact O-CG2 3.45Å; L344-V348 PolarHBondContact O-N 3.36Å; L344-C355 HydrophobicContact CD1-CB 3.79Å; L344-M357 HydrophobicContact CD1-SD 4.42Å; L344-M357 HydrophobicContact CD2-SD 4.17Å; L344-F366 HydrophobicContact CB-CD1 4.1Å; L344-F366 HydrophobicContact CB-CE1 4.15Å; L344-F366 HydrophobicContact CD1-CD1 4.43Å; L344-F366 HydrophobicContact CD1-CD2 4.38Å; L344-F366 HydrophobicContact CD1-CE1 3.87Å; L344-F366 HydrophobicContact CD1-CE2 3.79Å; L344-F366 HydrophobicContact CD1-CZ 3.51Å; L344-F368 HydrophobicContact CB-CZ 4.29Å; L344-F368 HydrophobicContact CD2-CZ 4.05Å; L344-V383 HydrophobicContact CD2-CB 4.46Å; L344-V383 HydrophobicContact CD2-CG1 3.55Å
345	P	90.4	Very high	86.3	Confident	4 Å²	4	40 Å²	40	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-34.9	178.7	-25.4	37.1	0	0	0	113	F313 A339 L340 V348 A349 V398	F313-P345 HydrophobicContact CE2-CB 4.45Å; F313-P345 HydrophobicContact CZ-CB 4.13Å; A339-P345 VanDerWaalsContact O-CG 3.27Å; A339-P345 WeakPolarHBondContact O-CG 3.37Å; L340-P345 HydrophobicContact CD2-CB 3.91Å; L340-P345 HydrophobicContact CD2-CG 4.05Å; P345-V348 PolarHBondContact O-N 3.43Å; P345-A349 WeakPolarHBondContact O-CB 3.16Å; P345-A349 PolarHBondContact O-N 3.29Å; P345-V398 HydrophobicContact CB-CG1 4.12Å
346	T	88.2	Confident	86.9	Confident	39 Å²	39	35.8 Å²	35.8	24%	0.239	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-45.9	175	-52	0	0	0	0	111.2	P303 I311 G343 L344 V348 A349 E350	P303-T346 HydrophobicContact CB-CG2 4.41Å; P303-T346 HydrophobicContact CG-CG2 3.52Å; I311-T346 HydrophobicContact CD1-CG2 4.36Å; I311-T346 HydrophobicContact CG2-CG2 4.32Å; G343-T346 PolarHBondContact O-N 3Å; L344-T346 VanDerWaalsContact C-N 3.26Å; L344-T346 PolarHBondContact O-N 3.2Å; T346-V348 VanDerWaalsContact C-N 3.33Å; T346-V348 PolarHBondContact O-N 3.25Å; T346-A349 PolarHBondContact O-N 3.3Å; T346-E350 WeakPolarHBondContact O-CB 2.98Å; T346-E350 PolarHBondContact O-N 3.1Å
347	Y	89.9	Confident	87.1	Confident	64 Å²	64	31.2 Å²	31.2	25%	0.251	17%	0.169	S	C	.	.	H	α-helix	trans	-61.6	-40.4	176.1	177	-94.9	0	0	0	112.3	G343 L344 E350 N351 Y365 F366	G343-Y347 PolarHBondContact O-N 3.4Å; L344-Y347 PolarHBondContact O-N 3.07Å; Y347-E350 PolarHBondContact O-N 2.6Å; Y347-N351 VanDerWaalsContact CD2-ND2 3.32Å; Y347-N351 WeakPolarHBondContact CD2-ND2 3.4Å; Y347-N351 VanDerWaalsContact CE2-ND2 3.25Å; Y347-N351 WeakPolarHBondContact CE2-ND2 3.48Å; Y347-N351 PolarHBondContact O-N 3.29Å; Y347-N351 PolarHBondContact O-ND2 3.47Å; Y347-Y365 HydrophobicContact CD2-CE1 4.29Å; Y347-Y365 HydrophobicContact CE2-CE1 4.4Å; Y347-F366 HydrophobicContact CD1-CE1 4.43Å; Y347-F366 AromaticContact CD1-CZ 3.92Å; Y347-F366 HydrophobicContact CD1-CZ 3.92Å; Y347-F366 HydrophobicContact CE1-CZ 4.47Å; Y347-F366 HydrophobicContact CG-CE1 4.12Å; Y347-F366 HydrophobicContact CG-CZ 4.03Å
348	V	91.1	Very high	86.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-40.4	175.9	171.4	0	0	0	0	111.4	L344 P345 T346 E350 G352 F353 C355 P387 V398	L344-V348 HydrophobicContact CD1-CG2 4.23Å; L344-V348 HydrophobicContact CG-CG2 4.45Å; L344-V348 WeakPolarHBondContact O-CG2 3.45Å; L344-V348 PolarHBondContact O-N 3.36Å; P345-V348 PolarHBondContact O-N 3.43Å; T346-V348 VanDerWaalsContact C-N 3.33Å; T346-V348 PolarHBondContact O-N 3.25Å; V348-E350 VanDerWaalsContact C-N 3.35Å; V348-G352 VanDerWaalsContact O-CA 3.28Å; V348-G352 WeakPolarHBondContact O-CA 3.18Å; V348-G352 PolarHBondContact O-N 2.99Å; V348-F353 WeakPolarHBondContact CG1-O 3.01Å; V348-C355 HydrophobicContact CG2-CB 4.19Å; V348-P387 HydrophobicContact CG1-CB 4.13Å; V348-P387 HydrophobicContact CG1-CG 4.37Å; V348-V398 HydrophobicContact CB-CG1 4.16Å; V348-V398 HydrophobicContact CG1-CG1 3.83Å; V348-V398 HydrophobicContact CG1-CG2 4.24Å
349	A	88.8	Confident	86.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68	-31.9	174.9	0	0	0	0	0	113	L278 P306 I311 F313 P345 T346 I395 V398	L278-A349 HydrophobicContact CD1-CB 4.4Å; P306-A349 WeakPolarHBondContact CD-O 3.49Å; I311-A349 HydrophobicContact CD1-CB 3.98Å; I311-A349 HydrophobicContact CG1-CB 4.3Å; I311-A349 HydrophobicContact CG2-CB 4.05Å; F313-A349 HydrophobicContact CZ-CB 4.29Å; P345-A349 WeakPolarHBondContact O-CB 3.16Å; P345-A349 PolarHBondContact O-N 3.29Å; T346-A349 PolarHBondContact O-N 3.3Å; A349-I395 WeakPolarHBondContact O-CD1 3.35Å; A349-V398 HydrophobicContact CB-CG2 3.85Å
350	E	88.7	Confident	86.3	Confident	81 Å²	81	35 Å²	35	38%	0.379	19%	0.192	S	C	.	.	H	α-helix	trans	-73.9	-42	178.1	179.4	171.1	-158.1	0	0	112.3	P303 P306 I311 T346 Y347 V348	P303-E350 HydrophobicContact CB-CG 4.39Å; P306-E350 VanDerWaalsContact CD-O 3.29Å; P306-E350 WeakPolarHBondContact CD-O 3.4Å; P306-E350 WeakPolarHBondContact CG-O 3.29Å; I311-E350 HydrophobicContact CD1-CB 3.81Å; T346-E350 WeakPolarHBondContact O-CB 2.98Å; T346-E350 PolarHBondContact O-N 3.1Å; Y347-E350 PolarHBondContact O-N 2.6Å; V348-E350 VanDerWaalsContact C-N 3.35Å
351	N	88	Confident	85.8	Confident	55 Å²	55	38 Å²	38	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-102	-21.6	-171.9	-64.6	-84.3	0	0	0	114	Y347 F353	Y347-N351 VanDerWaalsContact CD2-ND2 3.32Å; Y347-N351 WeakPolarHBondContact CD2-ND2 3.4Å; Y347-N351 VanDerWaalsContact CE2-ND2 3.25Å; Y347-N351 WeakPolarHBondContact CE2-ND2 3.48Å; Y347-N351 PolarHBondContact O-N 3.29Å; Y347-N351 PolarHBondContact O-ND2 3.47Å; N351-F353 VanDerWaalsContact C-N 3.29Å; N351-F353 HydrophobicContact CB-CD2 3.5Å; N351-F353 HydrophobicContact CB-CE2 3.72Å; N351-F353 HydrophobicContact CB-CG 4.06Å; N351-F353 HydrophobicContact CB-CZ 4.45Å; N351-F353 PolarHBondContact O-N 2.93Å
352	G	85.9	Confident	85.3	Confident	30 Å²	30	39 Å²	39	31%	0.309	23%	0.233	S	C	.	.			trans	70.6	21.2	-175	0	0	0	0	0	114.2	V348	V348-G352 VanDerWaalsContact O-CA 3.28Å; V348-G352 WeakPolarHBondContact O-CA 3.18Å; V348-G352 PolarHBondContact O-N 2.99Å
353	F	87.1	Confident	84.9	Confident	120 Å²	120	41.4 Å²	41.4	53%	0.526	25%	0.246	S	C	.	.			trans	-98.4	146.1	-178.3	-58.9	-34.4	0	0	0	113.1	V348 N351	V348-F353 WeakPolarHBondContact CG1-O 3.01Å; N351-F353 VanDerWaalsContact C-N 3.29Å; N351-F353 HydrophobicContact CB-CD2 3.5Å; N351-F353 HydrophobicContact CB-CE2 3.72Å; N351-F353 HydrophobicContact CB-CG 4.06Å; N351-F353 HydrophobicContact CB-CZ 4.45Å; N351-F353 PolarHBondContact O-N 2.93Å
354	I	89.2	Confident	84.4	Confident	54 Å²	54	48.1 Å²	48.1	28%	0.277	28%	0.275	S	S	.	.			trans	-74.1	130.9	169.1	-61.6	173.1	0	0	0	108.6	L384 L386 E419	I354-L384 HydrophobicContact CG2-CD1 4.15Å; I354-L386 HydrophobicContact CB-CG 4.4Å; I354-L386 HydrophobicContact CD1-CD2 3.84Å; I354-L386 HydrophobicContact CD1-CG 4.43Å; I354-L386 HydrophobicContact CG1-CB 4.5Å; I354-L386 HydrophobicContact CG1-CD2 3.89Å; I354-L386 HydrophobicContact CG1-CG 3.94Å; I354-L386 HydrophobicContact CG2-CD2 4.24Å; I354-L386 HydrophobicContact CG2-CG 3.94Å; I354-E419 HydrophobicContact CD1-CB 4.28Å; I354-E419 HydrophobicContact CD1-CG 4.02Å
355	C	88.8	Confident	83.9	Confident	18 Å²	18	55.9 Å²	55.9	12%	0.122	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	110.5	179.3	-66.2	0	0	0	0	110.4	L344 V348 L384 S385	L344-C355 HydrophobicContact CD1-CB 3.79Å; V348-C355 HydrophobicContact CG2-CB 4.19Å; C355-L384 WeakPolarHBondContact O-CA 3.44Å; C355-S385 PolarHBondContact N-O 3.3Å; C355-S385 PolarHBondContact O-N 2.87Å
356	N	88.1	Confident	83.6	Confident	8 Å²	8	57 Å²	57	4%	0.043	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.3	171.3	-175.8	1.6	0	0	0	110.9	L384 F410 E415	N356-L384 HydrophobicContact CB-CD1 3.98Å; N356-F410 PolarHBondContact ND2-O 3.4Å; N356-E415 HydrophobicContact CB-CG 4.3Å; N356-E415 VanDerWaalsContact CB-OE1 3.26Å; N356-E415 WeakPolarHBondContact CB-OE1 3.49Å; N356-E415 PolarHBondContact ND2-OE1 2.85Å
357	M	84.9	Confident	83.1	Confident	20 Å²	20	60.2 Å²	60.2	10%	0.099	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	110.4	-179.1	-62.6	-176.7	73.5	0	0	110.5	L344 V360 D363 F366 F368 N382 V383	L344-M357 HydrophobicContact CD1-SD 4.42Å; L344-M357 HydrophobicContact CD2-SD 4.17Å; M357-V360 HydrophobicContact CB-CG2 4.16Å; M357-D363 HydrophobicContact CE-CB 3.46Å; M357-D363 VanDerWaalsContact CE-CB 3.46Å; M357-F366 HydrophobicContact CE-CD2 3.76Å; M357-F366 HydrophobicContact CE-CE2 4.48Å; M357-F366 HydrophobicContact SD-CD2 3.78Å; M357-F366 HydrophobicContact SD-CE2 4.14Å; M357-F368 HydrophobicContact CE-CE2 3.79Å; M357-F368 HydrophobicContact SD-CE2 3.75Å; M357-F368 HydrophobicContact SD-CZ 3.95Å; M357-N382 CarbonylContact O-C 3.54Å; M357-N382 WeakPolarHBondContact O-CA 3.5Å; M357-N382 WeakPolarHBondContact O-CB 3.46Å; M357-V383 PolarHBondContact N-O 3.49Å; M357-V383 PolarHBondContact O-N 2.88Å
358	M	78.3	Confident	82.7	Confident	35 Å²	35	58.4 Å²	58.4	17%	0.172	32%	0.323	C	S	.	.	S	Bend	trans	-76.1	-36.2	-176	-49.4	-71.3	-86.7	0	0	113.2	N382 P409 F410	M358-N382 WeakPolarHBondContact O-CB 3.01Å; M358-P409 HydrophobicContact CB-CB 3.92Å; M358-P409 HydrophobicContact CE-CB 3.4Å; M358-P409 HydrophobicContact CE-CG 3.18Å; M358-P409 HydrophobicContact CG-CB 4.28Å; M358-P409 HydrophobicContact SD-CB 3.45Å; M358-P409 WeakPolarHBondContact SD-CB 3.11Å; M358-P409 HydrophobicContact SD-CG 4Å; M358-F410 VanDerWaalsContact SD-O 3.41Å
359	N	78.9	Confident	81.9	Confident	95 Å²	95	62 Å²	62	51%	0.508	34%	0.34	S	S	.	.			trans	-140	100.6	178.1	-179.1	2.7	0	0	0	109.3	A361 A362 K381	N359-A361 VanDerWaalsContact C-N 3.29Å; N359-A361 PolarHBondContact O-N 2.88Å; N359-A361 WeakPolarHBondContact OD1-CB 3.48Å; N359-A361 PolarHBondContact OD1-N 2.82Å; N359-A362 HydrophobicContact CB-CB 4.46Å; N359-A362 PolarHBondContact O-N 3.35Å; N359-K381 WeakPolarHBondContact CA-O 3.44Å
360	V	79.9	Confident	81.2	Confident	6 Å²	6	71 Å²	71	4%	0.036	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-68.1	-29.3	-178	169.4	0	0	0	0	112.6	M357 A362 D363 F368 I380 K381 V383	M357-V360 HydrophobicContact CB-CG2 4.16Å; V360-A362 VanDerWaalsContact C-N 3.25Å; V360-A362 PolarHBondContact O-N 2.85Å; V360-D363 PolarHBondContact O-N 3.33Å; V360-F368 HydrophobicContact CB-CD2 4.46Å; V360-F368 HydrophobicContact CB-CG 4.47Å; V360-F368 HydrophobicContact CG1-CB 3.25Å; V360-F368 HydrophobicContact CG1-CD1 3.57Å; V360-F368 HydrophobicContact CG1-CD2 3.23Å; V360-F368 HydrophobicContact CG1-CE1 4.12Å; V360-F368 HydrophobicContact CG1-CE2 3.78Å; V360-F368 HydrophobicContact CG1-CG 3.06Å; V360-F368 HydrophobicContact CG1-CZ 4.2Å; V360-F368 HydrophobicContact CG2-CE2 4.45Å; V360-F368 HydrophobicContact CG2-CZ 4.42Å; V360-I380 HydrophobicContact CB-CG2 4.36Å; V360-I380 HydrophobicContact CG1-CG2 4.21Å; V360-I380 HydrophobicContact CG2-CG2 4.04Å; V360-K381 PolarHBondContact N-O 2.91Å; V360-V383 HydrophobicContact CG2-CB 4.31Å; V360-V383 HydrophobicContact CG2-CG2 3.84Å
361	A	73.6	Confident	80.6	Confident	85 Å²	85	74.8 Å²	74.8	70%	0.702	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-72.8	-17.6	-178.2	0	0	0	0	0	113.8	N359	N359-A361 VanDerWaalsContact C-N 3.29Å; N359-A361 PolarHBondContact O-N 2.88Å; N359-A361 WeakPolarHBondContact OD1-CB 3.48Å; N359-A361 PolarHBondContact OD1-N 2.82Å
362	A	72.4	Confident	80.3	Confident	71 Å²	71	74.3 Å²	74.3	59%	0.587	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-94.1	-3	178.7	0	0	0	0	0	113.2	N359 V360	N359-A362 HydrophobicContact CB-CB 4.46Å; N359-A362 PolarHBondContact O-N 3.35Å; V360-A362 VanDerWaalsContact C-N 3.25Å; V360-A362 PolarHBondContact O-N 2.85Å
363	D	75	Confident	80	Confident	55 Å²	55	74.1 Å²	74.1	29%	0.294	39%	0.393	S	S	.	.			trans	-90.1	128.2	-179.1	-168.8	-96	0	0	0	111	M357 V360 Y365 F366	M357-D363 HydrophobicContact CE-CB 3.46Å; M357-D363 VanDerWaalsContact CE-CB 3.46Å; V360-D363 PolarHBondContact O-N 3.33Å; D363-Y365 WeakPolarHBondContact OD1-CA 3.41Å; D363-Y365 WeakPolarHBondContact OD1-CB 3.4Å; D363-Y365 PolarHBondContact OD1-N 2.89Å; D363-F366 WeakPolarHBondContact OD1-CD2 3.32Å; D363-F366 PolarHBondContact OD1-N 2.87Å
364	D	74.9	Confident	79.6	Confident	170 Å²	170	71.1 Å²	71.1	91%	0.909	38%	0.382	S	S	*	.	S	Bend	trans	-97.2	-7.4	178.2	-68.6	-37.7	0	0	0	112.6
365	Y	80.4	Confident	79	Confident	163 Å²	163	78.4 Å²	78.4	64%	0.639	42%	0.415	S	S	*	.	S	Bend	trans	-87.6	-40	-173.9	-173.1	-94.2	0	0	0	112.1	Y347 D363	Y347-Y365 HydrophobicContact CD2-CE1 4.29Å; Y347-Y365 HydrophobicContact CE2-CE1 4.4Å; D363-Y365 WeakPolarHBondContact OD1-CA 3.41Å; D363-Y365 WeakPolarHBondContact OD1-CB 3.4Å; D363-Y365 PolarHBondContact OD1-N 2.89Å
366	F	83.4	Confident	78.4	Confident	28 Å²	28	80.8 Å²	80.8	12%	0.123	43%	0.433	C	S	.	.	S	Bend	trans	-106	139.2	179.7	-63	-70.4	0	0	0	112	S342 L344 Y347 M357 D363 F368	S342-F366 WeakPolarHBondContact O-CD1 2.94Å; L344-F366 HydrophobicContact CB-CD1 4.1Å; L344-F366 HydrophobicContact CB-CE1 4.15Å; L344-F366 HydrophobicContact CD1-CD1 4.43Å; L344-F366 HydrophobicContact CD1-CD2 4.38Å; L344-F366 HydrophobicContact CD1-CE1 3.87Å; L344-F366 HydrophobicContact CD1-CE2 3.79Å; L344-F366 HydrophobicContact CD1-CZ 3.51Å; Y347-F366 HydrophobicContact CD1-CE1 4.43Å; Y347-F366 AromaticContact CD1-CZ 3.92Å; Y347-F366 HydrophobicContact CD1-CZ 3.92Å; Y347-F366 HydrophobicContact CE1-CZ 4.47Å; Y347-F366 HydrophobicContact CG-CE1 4.12Å; Y347-F366 HydrophobicContact CG-CZ 4.03Å; M357-F366 HydrophobicContact CE-CD2 3.76Å; M357-F366 HydrophobicContact CE-CE2 4.48Å; M357-F366 HydrophobicContact SD-CD2 3.78Å; M357-F366 HydrophobicContact SD-CE2 4.14Å; D363-F366 WeakPolarHBondContact OD1-CD2 3.32Å; D363-F366 PolarHBondContact OD1-N 2.87Å; F366-F368 HydrophobicContact CB-CD2 3.66Å; F366-F368 HydrophobicContact CB-CE2 3.36Å; F366-F368 HydrophobicContact CB-CZ 4.38Å; F366-F368 HydrophobicContact CD2-CE2 4.43Å; F366-F368 HydrophobicContact CG-CE2 4.12Å; F366-F368 PolarHBondContact O-N 3.42Å
367	T	78.6	Confident	78.1	Confident	106 Å²	106	82.7 Å²	82.7	65%	0.65	45%	0.454	S	S	*	.			trans	-91.5	77.3	-176.1	47.2	0	0	0	0	112	V341 S342	V341-T367 PolarHBondContact O-OG1 3.4Å; S342-T367 PolarHBondContact O-N 2.99Å
368	F	79.9	Confident	78.1	Confident	26 Å²	26	82.1 Å²	82.1	11%	0.114	45%	0.451	C	S	.	.			trans	-82.2	147	174.3	-69.7	-90.6	0	0	0	112.6	S342 L344 M357 V360 F366 K370 I380 V383	S342-F368 VanDerWaalsContact CB-CE1 3.47Å; L344-F368 HydrophobicContact CB-CZ 4.29Å; L344-F368 HydrophobicContact CD2-CZ 4.05Å; M357-F368 HydrophobicContact CE-CE2 3.79Å; M357-F368 HydrophobicContact SD-CE2 3.75Å; M357-F368 HydrophobicContact SD-CZ 3.95Å; V360-F368 HydrophobicContact CB-CD2 4.46Å; V360-F368 HydrophobicContact CB-CG 4.47Å; V360-F368 HydrophobicContact CG1-CB 3.25Å; V360-F368 HydrophobicContact CG1-CD1 3.57Å; V360-F368 HydrophobicContact CG1-CD2 3.23Å; V360-F368 HydrophobicContact CG1-CE1 4.12Å; V360-F368 HydrophobicContact CG1-CE2 3.78Å; V360-F368 HydrophobicContact CG1-CG 3.06Å; V360-F368 HydrophobicContact CG1-CZ 4.2Å; V360-F368 HydrophobicContact CG2-CE2 4.45Å; V360-F368 HydrophobicContact CG2-CZ 4.42Å; F366-F368 HydrophobicContact CB-CD2 3.66Å; F366-F368 HydrophobicContact CB-CE2 3.36Å; F366-F368 HydrophobicContact CB-CZ 4.38Å; F366-F368 HydrophobicContact CD2-CE2 4.43Å; F366-F368 HydrophobicContact CG-CE2 4.12Å; F366-F368 PolarHBondContact O-N 3.42Å; F368-K370 PolarHBondContact O-N 3.2Å; F368-I380 HydrophobicContact CD1-CD1 4.17Å; F368-I380 HydrophobicContact CD1-CG2 4.17Å; F368-I380 HydrophobicContact CE1-CG2 4.35Å; F368-V383 HydrophobicContact CE1-CG2 4.04Å; F368-V383 HydrophobicContact CZ-CG2 4.38Å
369	Q	75.1	Confident	78.5	Confident	75 Å²	75	83 Å²	83	35%	0.35	46%	0.458	S	S	.	.			trans	-68.9	130.5	177.5	-65.6	179.6	-0.9	0	0	110.4	V373	Q369-V373 HydrophobicContact CB-CG1 4.5Å
370	K	73.4	Confident	78.9	Confident	189 Å²	189	79 Å²	79	82%	0.822	44%	0.436	S	S	*	.	S	Bend	trans	-85.2	-22.8	178.4	-65.8	-174.9	178.2	-178.4	0	113.1	F368	F368-K370 PolarHBondContact O-N 3.2Å
371	E	77.4	Confident	79.2	Confident	162 Å²	162	83.2 Å²	83.2	76%	0.757	45%	0.454	S	S	*	.	S	Bend	trans	-95.8	175.7	175.8	-63.5	-174.4	175.6	0	0	110.2	V373	E371-V373 PolarHBondContact O-N 2.91Å
372	A	80.1	Confident	79.8	Confident	44 Å²	44	79.5 Å²	79.5	36%	0.364	42%	0.422	S	S	.	.			trans	-62.4	134.4	176.7	0	0	0	0	0	110.9	D374 F378	A372-D374 PolarHBondContact O-N 3.29Å; A372-F378 CarbonylContact C-O 3.55Å; A372-F378 VanDerWaalsContact CA-O 3.28Å; A372-F378 WeakPolarHBondContact CA-O 3.24Å
373	V	80.7	Confident	80.7	Confident	27 Å²	27	76.1 Å²	76.1	16%	0.164	39%	0.394	C	S	.	.	S	Bend	trans	-71.7	-20.4	-178.8	-51.1	0	0	0	0	112.4	W338 Q369 E371 F378 I380	W338-V373 HydrophobicContact CB-CB 4.36Å; Q369-V373 HydrophobicContact CB-CG1 4.5Å; E371-V373 PolarHBondContact O-N 2.91Å; V373-F378 HydrophobicContact CG1-CD1 4.37Å; V373-F378 HydrophobicContact CG2-CB 4.19Å; V373-F378 HydrophobicContact CG2-CD1 3.61Å; V373-F378 HydrophobicContact CG2-CG 4.38Å; V373-F378 PolarHBondContact N-O 3.34Å; V373-I380 HydrophobicContact CG1-CD1 4.13Å; V373-I380 HydrophobicContact CG1-CG1 4.25Å
374	D	79.1	Confident	81.5	Confident	56 Å²	56	73.5 Å²	73.5	30%	0.299	38%	0.38	S	S	.	.	S	Bend	trans	-153.3	179.1	179.6	63.3	14.4	0	0	0	112	R272 A372 S376 G377	R272-D374 IonicContact CZ-OD2 3.82Å; R272-D374 VanDerWaalsContact CZ-OD2 3.25Å; R272-D374 IonicContact NH1-OD2 2.71Å; R272-D374 PolarHBondContact NH1-OD2 3.03Å; R272-D374 IonicContact NH2-OD1 3.39Å; R272-D374 PolarHBondContact NH2-OD1 3.08Å; R272-D374 IonicContact NH2-OD2 3.54Å; R272-D374 PolarHBondContact NH2-OD2 3.47Å; A372-D374 PolarHBondContact O-N 3.29Å; D374-S376 PolarHBondContact O-N 3.21Å; D374-S376 VanDerWaalsContact O-N 3.09Å; D374-S376 VanDerWaalsContact OD1-CB 3.27Å; D374-S376 WeakPolarHBondContact OD1-CB 3.4Å; D374-S376 PolarHBondContact OD1-N 3.24Å; D374-S376 PolarHBondContact OD1-OG 3.01Å; D374-G377 PolarHBondContact O-N 3.19Å; D374-G377 VanDerWaalsContact O-N 3.17Å
375	E	75.5	Confident	82.4	Confident	207 Å²	207	65.4 Å²	65.4	97%	0.967	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.8	179.1	-61.3	-179.7	178.8	0	0	113.7	G377	E375-G377 PolarHBondContact O-N 2.98Å
376	S	77.6	Confident	83.1	Confident	69 Å²	69	57.7 Å²	57.7	48%	0.483	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.9	176.3	96.2	0	0	0	0	112.4	R272 E322 D374 F378	R272-S376 PolarHBondContact NH2-OG 2.83Å; E322-S376 PolarHBondContact OE2-OG 2.84Å; D374-S376 PolarHBondContact O-N 3.21Å; D374-S376 VanDerWaalsContact O-N 3.09Å; D374-S376 VanDerWaalsContact OD1-CB 3.27Å; D374-S376 WeakPolarHBondContact OD1-CB 3.4Å; D374-S376 PolarHBondContact OD1-N 3.24Å; D374-S376 PolarHBondContact OD1-OG 3.01Å; S376-F378 WeakPolarHBondContact OG-CB 3.47Å; S376-F378 PolarHBondContact OG-N 2.6Å
377	G	80.5	Confident	83.6	Confident	47 Å²	47	56.9 Å²	56.9	49%	0.485	31%	0.305	S	S	.	.			trans	83.9	14.1	-173.9	0	0	0	0	0	113.5	D374 E375 V379	D374-G377 PolarHBondContact O-N 3.19Å; D374-G377 VanDerWaalsContact O-N 3.17Å; E375-G377 PolarHBondContact O-N 2.98Å; G377-V379 PolarHBondContact O-N 2.67Å
378	F	85.3	Confident	84.2	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.035	27%	0.274	C	S	.	.			trans	-69.2	125.6	-178	178.5	-101	0	0	0	112.3	E271 R272 E322 A372 V373 S376 I380 F402 N403	E271-F378 HydrophobicContact CB-CE2 4.02Å; E271-F378 VanDerWaalsContact OE2-CE2 3.29Å; E271-F378 WeakPolarHBondContact OE2-CE2 3.45Å; R272-F378 HydrophobicContact CB-CZ 4.28Å; R272-F378 HydrophobicContact CG-CE1 4.44Å; R272-F378 HydrophobicContact CG-CE2 4.06Å; R272-F378 HydrophobicContact CG-CZ 4Å; R272-F378 VanDerWaalsContact NH2-CB 3.31Å; E322-F378 WeakPolarHBondContact OE1-CD2 3.26Å; E322-F378 WeakPolarHBondContact OE1-CE2 3.33Å; A372-F378 CarbonylContact C-O 3.55Å; A372-F378 VanDerWaalsContact CA-O 3.28Å; A372-F378 WeakPolarHBondContact CA-O 3.24Å; V373-F378 HydrophobicContact CG1-CD1 4.37Å; V373-F378 HydrophobicContact CG2-CB 4.19Å; V373-F378 HydrophobicContact CG2-CD1 3.61Å; V373-F378 HydrophobicContact CG2-CG 4.38Å; V373-F378 PolarHBondContact N-O 3.34Å; S376-F378 WeakPolarHBondContact OG-CB 3.47Å; S376-F378 PolarHBondContact OG-N 2.6Å; F378-I380 HydrophobicContact CD1-CG1 4.37Å; F378-I380 HydrophobicContact CE1-CG1 3.69Å; F378-I380 HydrophobicContact CZ-CG1 4.47Å; F378-F402 HydrophobicContact CE1-CB 4.38Å; F378-F402 HydrophobicContact CZ-CB 3.86Å; F378-N403 HydrophobicContact CE2-CB 4.29Å; F378-N403 WeakPolarHBondContact CE2-ND2 3.3Å; F378-N403 HydrophobicContact CZ-CB 4.45Å; F378-N403 WeakPolarHBondContact CZ-ND2 3.25Å
379	V	86	Confident	84.7	Confident	54 Å²	54	52.7 Å²	52.7	33%	0.327	28%	0.281	S	S	.	.			trans	-120.9	131.4	176.7	-179.3	0	0	0	0	109.1	G377 K381 N403	G377-V379 PolarHBondContact O-N 2.67Å; V379-K381 PolarHBondContact O-N 3.05Å; V379-N403 PolarHBondContact O-ND2 3.33Å
380	I	87.4	Confident	85.3	Confident	10 Å²	10	50 Å²	50	5%	0.051	27%	0.269	C	S	.	.			trans	-75.4	120.7	179.3	-60.3	169.8	0	0	0	109.2	V360 F368 V373 F378 V383 F402	V360-I380 HydrophobicContact CB-CG2 4.36Å; V360-I380 HydrophobicContact CG1-CG2 4.21Å; V360-I380 HydrophobicContact CG2-CG2 4.04Å; F368-I380 HydrophobicContact CD1-CD1 4.17Å; F368-I380 HydrophobicContact CD1-CG2 4.17Å; F368-I380 HydrophobicContact CE1-CG2 4.35Å; V373-I380 HydrophobicContact CG1-CD1 4.13Å; V373-I380 HydrophobicContact CG1-CG1 4.25Å; F378-I380 HydrophobicContact CD1-CG1 4.37Å; F378-I380 HydrophobicContact CE1-CG1 3.69Å; F378-I380 HydrophobicContact CZ-CG1 4.47Å; I380-V383 HydrophobicContact CG2-CG2 3.33Å; I380-F402 HydrophobicContact CD1-CD1 3.93Å; I380-F402 HydrophobicContact CD1-CE1 4.03Å; I380-F402 HydrophobicContact CG1-CD1 4.07Å; I380-F402 HydrophobicContact CG2-CD1 4.02Å
381	K	86.1	Confident	85.7	Confident	95 Å²	95	48.3 Å²	48.3	41%	0.413	26%	0.262	S	S	.	.			trans	-110.2	-48.8	-179.5	-60.6	166.5	-172.7	166.2	0	111.3	N359 V360 V379 N403	N359-K381 WeakPolarHBondContact CA-O 3.44Å; V360-K381 PolarHBondContact N-O 2.91Å; V379-K381 PolarHBondContact O-N 3.05Å; K381-N403 WeakPolarHBondContact CA-OD1 3.45Å; K381-N403 WeakPolarHBondContact CB-OD1 3.34Å; K381-N403 PolarHBondContact N-OD1 2.89Å
382	N	87.8	Confident	85.9	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.037	25%	0.252	C	S	.	.			trans	-136	149.4	177.4	57.5	65.7	0	0	0	111.2	M357 M358 N403 R404 K408 F410	M357-N382 CarbonylContact O-C 3.54Å; M357-N382 WeakPolarHBondContact O-CA 3.5Å; M357-N382 WeakPolarHBondContact O-CB 3.46Å; M358-N382 WeakPolarHBondContact O-CB 3.01Å; N382-N403 PolarHBondContact N-OD1 2.88Å; N382-N403 PolarHBondContact O-N 2.92Å; N382-N403 PolarHBondContact O-OD1 2.74Å; N382-N403 WeakPolarHBondContact OD1-CA 3.3Å; N382-N403 PolarHBondContact OD1-N 2.77Å; N382-R404 PolarHBondContact OD1-N 2.92Å; N382-K408 PolarHBondContact ND2-O 2.63Å; N382-K408 VanDerWaalsContact ND2-O 3.13Å; N382-F410 WeakPolarHBondContact OD1-CD2 3.28Å; N382-F410 WeakPolarHBondContact OD1-CE2 3.24Å
383	V	90.8	Very high	86.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	139.1	-173	177.3	0	0	0	0	110.9	L344 M357 V360 F368 I380 T400 F401 F402	L344-V383 HydrophobicContact CD2-CB 4.46Å; L344-V383 HydrophobicContact CD2-CG1 3.55Å; M357-V383 PolarHBondContact N-O 3.49Å; M357-V383 PolarHBondContact O-N 2.88Å; V360-V383 HydrophobicContact CG2-CB 4.31Å; V360-V383 HydrophobicContact CG2-CG2 3.84Å; F368-V383 HydrophobicContact CE1-CG2 4.04Å; F368-V383 HydrophobicContact CZ-CG2 4.38Å; I380-V383 HydrophobicContact CG2-CG2 3.33Å; V383-T400 HydrophobicContact CG1-CG2 3.56Å; V383-F401 CarbonylContact C-O 3.38Å; V383-F401 VanDerWaalsContact CA-O 3.31Å; V383-F401 WeakPolarHBondContact CA-O 3.38Å; V383-F402 HydrophobicContact CG1-CD1 4.32Å; V383-F402 HydrophobicContact CG1-CE1 4.24Å; V383-F402 HydrophobicContact CG2-CD1 3.53Å; V383-F402 HydrophobicContact CG2-CE1 3.97Å; V383-F402 HydrophobicContact CG2-CG 4.47Å
384	L	92.1	Very high	86.4	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.5	171.7	172.2	61.7	0	0	0	108.9	I354 C355 N356 L386 T400 F401 F410 E415	I354-L384 HydrophobicContact CG2-CD1 4.15Å; C355-L384 WeakPolarHBondContact O-CA 3.44Å; N356-L384 HydrophobicContact CB-CD1 3.98Å; L384-L386 HydrophobicContact CD1-CD1 3.65Å; L384-L386 HydrophobicContact CD2-CD1 4.09Å; L384-L386 HydrophobicContact CG-CD1 3.51Å; L384-T400 CarbonylContact O-C 3.59Å; L384-T400 WeakPolarHBondContact O-CA 3.18Å; L384-F401 HydrophobicContact CB-CB 4.38Å; L384-F401 PolarHBondContact N-O 3.44Å; L384-F401 PolarHBondContact O-N 3.34Å; L384-F410 HydrophobicContact CB-CB 4.35Å; L384-F410 HydrophobicContact CB-CD1 4.4Å; L384-F410 HydrophobicContact CB-CD2 3.72Å; L384-F410 HydrophobicContact CB-CE2 4.07Å; L384-F410 HydrophobicContact CB-CG 3.9Å; L384-F410 HydrophobicContact CD2-CB 4.44Å; L384-F410 HydrophobicContact CD2-CD1 4.23Å; L384-F410 HydrophobicContact CD2-CG 4.29Å; L384-E415 HydrophobicContact CD1-CG 3.78Å
385	S	92.9	Very high	86.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.3	-177.6	-162.2	0	0	0	0	111.8	C355 A399 T400	C355-S385 PolarHBondContact N-O 3.3Å; C355-S385 PolarHBondContact O-N 2.87Å; S385-A399 WeakPolarHBondContact CA-O 3.32Å; S385-T400 PolarHBondContact OG-OG1 2.86Å
386	L	94.6	Very high	87.5	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.3	-176.3	-63.1	86.3	0	0	0	111.9	I354 L384 A399 T418 E419 T422	I354-L386 HydrophobicContact CB-CG 4.4Å; I354-L386 HydrophobicContact CD1-CD2 3.84Å; I354-L386 HydrophobicContact CD1-CG 4.43Å; I354-L386 HydrophobicContact CG1-CB 4.5Å; I354-L386 HydrophobicContact CG1-CD2 3.89Å; I354-L386 HydrophobicContact CG1-CG 3.94Å; I354-L386 HydrophobicContact CG2-CD2 4.24Å; I354-L386 HydrophobicContact CG2-CG 3.94Å; L384-L386 HydrophobicContact CD1-CD1 3.65Å; L384-L386 HydrophobicContact CD2-CD1 4.09Å; L384-L386 HydrophobicContact CG-CD1 3.51Å; L386-A399 PolarHBondContact N-O 3.36Å; L386-A399 PolarHBondContact O-N 2.92Å; L386-T418 HydrophobicContact CD1-CG2 3.51Å; L386-T418 HydrophobicContact CD2-CG2 4.12Å; L386-T418 HydrophobicContact CG-CG2 4.38Å; L386-E419 HydrophobicContact CD2-CB 3.87Å; L386-T422 HydrophobicContact CB-CG2 4.28Å
387	P	93.9	Very high	88.1	Confident	12 Å²	12	38.6 Å²	38.6	8%	0.078	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	146.1	171.1	33.3	-34.4	0	0	0	111	V348 V389 I395	V348-P387 HydrophobicContact CG1-CB 4.13Å; V348-P387 HydrophobicContact CG1-CG 4.37Å; P387-V389 HydrophobicContact CB-CG2 4Å; P387-V389 HydrophobicContact CG-CG2 4.1Å; P387-I395 HydrophobicContact CB-CD1 4.44Å; P387-I395 HydrophobicContact CB-CG1 4.45Å; P387-I395 HydrophobicContact CB-CG2 4.21Å
388	I	93.1	Very high	88.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	112.1	168.4	-58.4	176.6	0	0	0	107	F257 V275 V396 G397 A399 T422 L425	F257-I388 HydrophobicContact CD2-CD1 4.23Å; F257-I388 HydrophobicContact CE2-CD1 3.72Å; F257-I388 HydrophobicContact CE2-CG2 4.01Å; F257-I388 HydrophobicContact CZ-CG2 3.97Å; V275-I388 HydrophobicContact CG1-CD1 3.74Å; I388-V396 PolarHBondContact O-N 3.23Å; I388-G397 PolarHBondContact N-O 3.28Å; I388-A399 HydrophobicContact CD1-CB 4.31Å; I388-A399 HydrophobicContact CG1-CB 4.41Å; I388-T422 HydrophobicContact CG1-CG2 4.03Å; I388-L425 HydrophobicContact CG2-CB 4.36Å
389	V	89.4	Confident	89.2	Confident	43 Å²	43	36.2 Å²	36.2	26%	0.261	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.6	-170.5	-172.4	0	0	0	0	110.4	P387 E394 I395 G426	P387-V389 HydrophobicContact CB-CG2 4Å; P387-V389 HydrophobicContact CG-CG2 4.1Å; V389-E394 CarbonylContact C-O 3.47Å; V389-E394 WeakPolarHBondContact CA-O 3.42Å; V389-I395 HydrophobicContact CG2-CG1 4.41Å; V389-G426 VanDerWaalsContact O-CA 3.28Å; V389-G426 WeakPolarHBondContact O-CA 3.43Å
390	N	86.8	Confident	89.6	Confident	19 Å²	19	33.8 Å²	33.8	10%	0.102	16%	0.158	C	C	.	.			trans	-76	176.1	177	73.7	15.8	0	0	0	112.4	K392 E393 E394 V396 G426	N390-K392 PolarHBondContact O-N 3.41Å; N390-K392 VanDerWaalsContact O-N 3.09Å; N390-K392 VanDerWaalsContact OD1-CA 3.31Å; N390-K392 WeakPolarHBondContact OD1-CA 3.32Å; N390-K392 WeakPolarHBondContact OD1-CB 3.2Å; N390-K392 PolarHBondContact OD1-N 2.86Å; N390-E393 PolarHBondContact O-N 3.47Å; N390-E393 PolarHBondContact OD1-N 3.38Å; N390-E394 PolarHBondContact N-O 3.02Å; N390-E394 PolarHBondContact ND2-OE2 3.46Å; N390-E394 VanDerWaalsContact ND2-OE2 3.14Å; N390-E394 WeakPolarHBondContact OD1-CB 3.46Å; N390-E394 PolarHBondContact OD1-N 3Å; N390-E394 PolarHBondContact OD1-O 3.46Å; N390-V396 HydrophobicContact CB-CG2 3.68Å; N390-G426 WeakPolarHBondContact CA-O 3.31Å
391	K	82.4	Confident	89.9	Confident	154 Å²	154	33.4 Å²	33.4	67%	0.67	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-17.6	178.7	-171.5	175.2	177.8	-178.5	0	114	E393 L430	K391-E393 VanDerWaalsContact C-N 3.32Å; K391-L430 HydrophobicContact CD-CD2 4.34Å
392	K	82.5	Confident	90.1	Very high	129 Å²	129	29 Å²	29	56%	0.561	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	9.5	177.3	-58.1	-179.8	-177.3	172.8	0	112.9	N390 E394	N390-K392 PolarHBondContact O-N 3.41Å; N390-K392 VanDerWaalsContact O-N 3.09Å; N390-K392 VanDerWaalsContact OD1-CA 3.31Å; N390-K392 WeakPolarHBondContact OD1-CA 3.32Å; N390-K392 WeakPolarHBondContact OD1-CB 3.2Å; N390-K392 PolarHBondContact OD1-N 2.86Å; K392-E394 HydrophobicContact CB-CG 4.18Å; K392-E394 PolarHBondContact O-N 2.9Å
393	E	84.6	Confident	90.2	Very high	173 Å²	173	28.8 Å²	28.8	81%	0.808	14%	0.136	S	C	*	.	S	Bend	trans	65.1	23.7	-175.8	-55.2	-176.7	166.1	0	0	113.8	N390 K391	N390-E393 PolarHBondContact O-N 3.47Å; N390-E393 PolarHBondContact OD1-N 3.38Å; K391-E393 VanDerWaalsContact C-N 3.32Å
394	E	85.5	Confident	90.2	Very high	49 Å²	49	29.3 Å²	29.3	23%	0.229	14%	0.138	C	C	.	.			trans	-97.2	139.2	175.6	-64	167.4	-163	0	0	111.1	R309 V389 N390 K392 V396	R309-E394 IonicContact CZ-OE2 3.14Å; R309-E394 IonicContact NH1-OE2 2.85Å; R309-E394 VanDerWaalsContact NH2-CD 3.32Å; R309-E394 IonicContact NH2-OE2 2.87Å; R309-E394 PolarHBondContact NH2-OE2 3.11Å; V389-E394 CarbonylContact C-O 3.47Å; V389-E394 WeakPolarHBondContact CA-O 3.42Å; N390-E394 PolarHBondContact N-O 3.02Å; N390-E394 PolarHBondContact ND2-OE2 3.46Å; N390-E394 VanDerWaalsContact ND2-OE2 3.14Å; N390-E394 WeakPolarHBondContact OD1-CB 3.46Å; N390-E394 PolarHBondContact OD1-N 3Å; N390-E394 PolarHBondContact OD1-O 3.46Å; K392-E394 HydrophobicContact CB-CG 4.18Å; K392-E394 PolarHBondContact O-N 2.9Å; E394-V396 PolarHBondContact O-N 3.41Å
395	I	88.9	Confident	89.9	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118	179.1	-56	175.1	0	0	0	109	L278 P306 A349 P387 V389 G397	L278-I395 HydrophobicContact CD1-CB 4.28Å; L278-I395 HydrophobicContact CD1-CG2 3.76Å; P306-I395 HydrophobicContact CG-CD1 4.15Å; A349-I395 WeakPolarHBondContact O-CD1 3.35Å; P387-I395 HydrophobicContact CB-CD1 4.44Å; P387-I395 HydrophobicContact CB-CG1 4.45Å; P387-I395 HydrophobicContact CB-CG2 4.21Å; V389-I395 HydrophobicContact CG2-CG1 4.41Å; I395-G397 WeakPolarHBondContact CG2-O 3.47Å
396	V	89.1	Confident	89.4	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-22.9	179	-167.6	0	0	0	0	111.7	L278 M280 I388 N390 E394 V429	L278-V396 PolarHBondContact N-O 3.44Å; M280-V396 HydrophobicContact CE-CB 4.4Å; M280-V396 HydrophobicContact CE-CG1 4.33Å; M280-V396 HydrophobicContact CE-CG2 3.93Å; M280-V396 HydrophobicContact CG-CG1 4.03Å; M280-V396 HydrophobicContact SD-CB 4.33Å; M280-V396 HydrophobicContact SD-CG1 4.12Å; M280-V396 HydrophobicContact SD-CG2 4.48Å; I388-V396 PolarHBondContact O-N 3.23Å; N390-V396 HydrophobicContact CB-CG2 3.68Å; E394-V396 PolarHBondContact O-N 3.41Å; V396-V429 HydrophobicContact CG1-CG2 4.17Å; V396-V429 HydrophobicContact CG2-CG2 4.49Å
397	G	91.1	Very high	88.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	-177.6	-177.7	0	0	0	0	0	112	G276 I388 I395	G276-G397 CarbonylContact O-C 3.51Å; G276-G397 WeakPolarHBondContact O-CA 3.36Å; I388-G397 PolarHBondContact N-O 3.28Å; I395-G397 WeakPolarHBondContact CG2-O 3.47Å
398	V	93.9	Very high	88.1	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.2	177.5	-179.5	0	0	0	0	108.8	V275 G276 F313 P345 V348 A349	V275-V398 WeakPolarHBondContact CA-O 3.35Å; G276-V398 PolarHBondContact N-O 3.17Å; G276-V398 PolarHBondContact O-N 3.06Å; F313-V398 HydrophobicContact CE1-CB 4.24Å; F313-V398 HydrophobicContact CE1-CG2 4.12Å; F313-V398 HydrophobicContact CZ-CB 4.44Å; F313-V398 HydrophobicContact CZ-CG2 4.11Å; P345-V398 HydrophobicContact CB-CG1 4.12Å; V348-V398 HydrophobicContact CB-CG1 4.16Å; V348-V398 HydrophobicContact CG1-CG1 3.83Å; V348-V398 HydrophobicContact CG1-CG2 4.24Å; A349-V398 HydrophobicContact CB-CG2 3.85Å
399	A	94	Very high	87.7	Confident	2 Å²	2	44.2 Å²	44.2	2%	0.017	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.5	173.1	0	0	0	0	0	109.7	V275 S385 L386 I388 F401 T422	V275-A399 HydrophobicContact CG2-CB 3.98Å; S385-A399 WeakPolarHBondContact CA-O 3.32Å; L386-A399 PolarHBondContact N-O 3.36Å; L386-A399 PolarHBondContact O-N 2.92Å; I388-A399 HydrophobicContact CD1-CB 4.31Å; I388-A399 HydrophobicContact CG1-CB 4.41Å; A399-F401 HydrophobicContact CB-CE2 3.87Å; A399-F401 HydrophobicContact CB-CZ 4.34Å; A399-T422 HydrophobicContact CB-CG2 3.99Å
400	T	94	Very high	87.7	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.1	-178.6	-49.2	0	0	0	0	110	Y273 S274 V383 L384 S385 F402	Y273-T400 CarbonylContact C-O 3.55Å; Y273-T400 WeakPolarHBondContact CA-O 3.46Å; Y273-T400 VanDerWaalsContact CB-O 3.3Å; Y273-T400 WeakPolarHBondContact CB-O 3.27Å; S274-T400 PolarHBondContact N-O 3.44Å; S274-T400 PolarHBondContact O-N 3.45Å; V383-T400 HydrophobicContact CG1-CG2 3.56Å; L384-T400 CarbonylContact O-C 3.59Å; L384-T400 WeakPolarHBondContact O-CA 3.18Å; S385-T400 PolarHBondContact OG-OG1 2.86Å; T400-F402 HydrophobicContact CG2-CD2 4.44Å; T400-F402 HydrophobicContact CG2-CE1 3.84Å; T400-F402 HydrophobicContact CG2-CE2 3.7Å; T400-F402 HydrophobicContact CG2-CZ 3.35Å
401	F	93.4	Very high	87.6	Confident	3 Å²	3	42.8 Å²	42.8	1%	0.013	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133	-178.3	-59.2	-94.6	0	0	0	109.1	L268 A270 Y273 V383 L384 A399 F410 T418	L268-F401 HydrophobicContact CB-CE1 4.42Å; L268-F401 HydrophobicContact CD1-CE1 3.75Å; L268-F401 HydrophobicContact CD1-CZ 4.49Å; L268-F401 HydrophobicContact CD2-CE1 4.01Å; L268-F401 HydrophobicContact CD2-CZ 4.4Å; L268-F401 HydrophobicContact CG-CE1 4.26Å; A270-F401 HydrophobicContact CB-CB 4.19Å; A270-F401 HydrophobicContact CB-CD1 4.15Å; Y273-F401 VanDerWaalsContact CB-CD1 3.4Å; Y273-F401 HydrophobicContact CD1-CD1 4.14Å; Y273-F401 HydrophobicContact CD1-CE1 4.2Å; Y273-F401 HydrophobicContact CD2-CE1 4.17Å; Y273-F401 AromaticContact CG-CD1 3.85Å; Y273-F401 HydrophobicContact CG-CD1 3.85Å; Y273-F401 AromaticContact CG-CE1 3.81Å; Y273-F401 HydrophobicContact CG-CE1 3.81Å; V383-F401 CarbonylContact C-O 3.38Å; V383-F401 VanDerWaalsContact CA-O 3.31Å; V383-F401 WeakPolarHBondContact CA-O 3.38Å; L384-F401 HydrophobicContact CB-CB 4.38Å; L384-F401 PolarHBondContact N-O 3.44Å; L384-F401 PolarHBondContact O-N 3.34Å; A399-F401 HydrophobicContact CB-CE2 3.87Å; A399-F401 HydrophobicContact CB-CZ 4.34Å; F401-F410 HydrophobicContact CB-CZ 4.07Å; F401-T418 HydrophobicContact CD2-CG2 3.72Å; F401-T418 HydrophobicContact CE2-CG2 3.12Å; F401-T418 HydrophobicContact CZ-CG2 3.65Å
402	F	91.4	Very high	87.7	Confident	1 Å²	1	38.5 Å²	38.5	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.2	-174.5	-55.6	-93.3	0	0	0	109.7	E271 R272 W338 A339 F378 I380 V383 T400	E271-F402 PolarHBondContact N-O 3.06Å; R272-F402 HydrophobicContact CB-CB 4.37Å; R272-F402 HydrophobicContact CB-CD2 4.49Å; R272-F402 PolarHBondContact N-O 3.04Å; R272-F402 PolarHBondContact O-N 3.38Å; W338-F402 HydrophobicContact CH2-CD2 4.08Å; W338-F402 AromaticContact CH2-CE2 3.87Å; W338-F402 HydrophobicContact CH2-CE2 3.87Å; W338-F402 HydrophobicContact CH2-CZ 4.5Å; W338-F402 HydrophobicContact CZ3-CD1 4.44Å; W338-F402 AromaticContact CZ3-CD2 3.81Å; W338-F402 HydrophobicContact CZ3-CD2 3.81Å; W338-F402 HydrophobicContact CZ3-CE1 4.25Å; W338-F402 AromaticContact CZ3-CE2 3.56Å; W338-F402 HydrophobicContact CZ3-CE2 3.56Å; W338-F402 HydrophobicContact CZ3-CG 4.26Å; W338-F402 AromaticContact CZ3-CZ 3.8Å; W338-F402 HydrophobicContact CZ3-CZ 3.8Å; A339-F402 HydrophobicContact CB-CE2 4.49Å; A339-F402 HydrophobicContact CB-CZ 4.24Å; F378-F402 HydrophobicContact CE1-CB 4.38Å; F378-F402 HydrophobicContact CZ-CB 3.86Å; I380-F402 HydrophobicContact CD1-CD1 3.93Å; I380-F402 HydrophobicContact CD1-CE1 4.03Å; I380-F402 HydrophobicContact CG1-CD1 4.07Å; I380-F402 HydrophobicContact CG2-CD1 4.02Å; V383-F402 HydrophobicContact CG1-CD1 4.32Å; V383-F402 HydrophobicContact CG1-CE1 4.24Å; V383-F402 HydrophobicContact CG2-CD1 3.53Å; V383-F402 HydrophobicContact CG2-CE1 3.97Å; V383-F402 HydrophobicContact CG2-CG 4.47Å; T400-F402 HydrophobicContact CG2-CD2 4.44Å; T400-F402 HydrophobicContact CG2-CE1 3.84Å; T400-F402 HydrophobicContact CG2-CE2 3.7Å; T400-F402 HydrophobicContact CG2-CZ 3.35Å
403	N	90.2	Very high	88	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54	115.6	177.3	-64.5	-10.3	0	0	0	114.8	A270 E271 F378 V379 K381 N382	A270-N403 CarbonylContact C-O 3.52Å; A270-N403 WeakPolarHBondContact CA-O 3.23Å; E271-N403 HydrophobicContact CB-CB 4Å; E271-N403 HydrophobicContact CG-CB 3.87Å; E271-N403 PolarHBondContact N-O 3.15Å; E271-N403 WeakPolarHBondContact OE2-CB 3.39Å; E271-N403 PolarHBondContact OE2-ND2 3.06Å; F378-N403 HydrophobicContact CE2-CB 4.29Å; F378-N403 WeakPolarHBondContact CE2-ND2 3.3Å; F378-N403 HydrophobicContact CZ-CB 4.45Å; F378-N403 WeakPolarHBondContact CZ-ND2 3.25Å; V379-N403 PolarHBondContact O-ND2 3.33Å; K381-N403 WeakPolarHBondContact CA-OD1 3.45Å; K381-N403 WeakPolarHBondContact CB-OD1 3.34Å; K381-N403 PolarHBondContact N-OD1 2.89Å; N382-N403 PolarHBondContact N-OD1 2.88Å; N382-N403 PolarHBondContact O-N 2.92Å; N382-N403 PolarHBondContact O-OD1 2.74Å; N382-N403 WeakPolarHBondContact OD1-CA 3.3Å; N382-N403 PolarHBondContact OD1-N 2.77Å
404	R	89.6	Confident	88.2	Confident	12 Å²	12	27.5 Å²	27.5	5%	0.045	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	136.6	167.6	-155.2	179.3	169.2	164.9	7.1	111.2	Y227 Q269 N382 D406 G407 K408 P409 F410 D411 D414	Y227-R404 PolarHBondContact OH-NH2 3.15Å; Q269-R404 CarbonylContact O-C 3.59Å; Q269-R404 WeakPolarHBondContact O-CA 3.42Å; N382-R404 PolarHBondContact OD1-N 2.92Å; R404-D406 VanDerWaalsContact C-N 3.26Å; R404-D406 WeakPolarHBondContact CD-OD1 3.41Å; R404-D406 WeakPolarHBondContact CG-OD1 3.27Å; R404-D406 IonicContact CZ-OD2 3.28Å; R404-D406 IonicContact NE-OD1 2.89Å; R404-D406 PolarHBondContact NE-OD1 2.96Å; R404-D406 IonicContact NE-OD2 2.67Å; R404-D406 PolarHBondContact NE-OD2 3.08Å; R404-D406 PolarHBondContact O-N 3.07Å; R404-G407 PolarHBondContact O-N 3.16Å; R404-K408 WeakPolarHBondContact CB-O 3.39Å; R404-P409 PolarHBondContact NH1-O 3.44Å; R404-F410 HydrophobicContact CB-CD1 4.46Å; R404-F410 HydrophobicContact CB-CE1 4.22Å; R404-F410 HydrophobicContact CB-CZ 4.39Å; R404-F410 HydrophobicContact CG-CD1 4.44Å; R404-F410 HydrophobicContact CG-CE1 4.32Å; R404-D411 IonicContact CZ-OD2 2.69Å; R404-D411 IonicContact NH1-OD2 3.6Å; R404-D411 PolarHBondContact NH1-OD2 2.96Å; R404-D411 IonicContact NH2-OD2 3.68Å; R404-D411 PolarHBondContact NH2-OD2 3.14Å; R404-D414 IonicContact CZ-OD2 2.71Å; R404-D414 IonicContact NE-OD2 3.55Å; R404-D414 PolarHBondContact NE-OD2 3.29Å; R404-D414 IonicContact NH1-OD2 2.68Å; R404-D414 PolarHBondContact NH1-OD2 3.44Å; R404-D414 VanDerWaalsContact NH1-OD2 3.1Å; R404-D414 IonicContact NH2-OD2 3.43Å; R404-D414 PolarHBondContact NH2-OD2 3.07Å
405	K	86.6	Confident	88.4	Confident	113 Å²	113	26 Å²	26	49%	0.491	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.4	-175.8	-74.7	-174.3	-178.1	-171.6	0	115.1	Q269 A270 E271 G407	Q269-K405 WeakPolarHBondContact O-CG 3.35Å; Q269-K405 PolarHBondContact O-N 2.66Å; A270-K405 WeakPolarHBondContact O-CE 3.47Å; E271-K405 HydrophobicContact CG-CG 4.27Å; K405-G407 VanDerWaalsContact C-N 3.25Å
406	D	82.1	Confident	88.4	Confident	78 Å²	78	29 Å²	29	42%	0.417	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	0.2	177.4	66.7	-9.2	0	0	0	112.7	R404 K408	R404-D406 VanDerWaalsContact C-N 3.26Å; R404-D406 WeakPolarHBondContact CD-OD1 3.41Å; R404-D406 WeakPolarHBondContact CG-OD1 3.27Å; R404-D406 IonicContact CZ-OD2 3.28Å; R404-D406 IonicContact NE-OD1 2.89Å; R404-D406 PolarHBondContact NE-OD1 2.96Å; R404-D406 IonicContact NE-OD2 2.67Å; R404-D406 PolarHBondContact NE-OD2 3.08Å; R404-D406 PolarHBondContact O-N 3.07Å; D406-K408 PolarHBondContact O-N 3.38Å; D406-K408 WeakPolarHBondContact OD1-CB 3.33Å; D406-K408 PolarHBondContact OD1-N 2.99Å
407	G	79.2	Confident	88.5	Confident	43 Å²	43	29 Å²	29	44%	0.443	15%	0.147	S	C	.	.	S	Bend	trans	76	-1.4	-178.6	0	0	0	0	0	114.2	R404 K405	R404-G407 PolarHBondContact O-N 3.16Å; K405-G407 VanDerWaalsContact C-N 3.25Å
408	K	82.8	Confident	88.4	Confident	75 Å²	75	29.4 Å²	29.4	33%	0.326	15%	0.149	S	C	.	.	S	Bend	trans	-80	160.3	172.7	-64.6	-177.7	-177.2	178.4	0	109.4	P126 N382 R404 D406	P126-K408 HydrophobicContact CG-CG 4.22Å; N382-K408 PolarHBondContact ND2-O 2.63Å; N382-K408 VanDerWaalsContact ND2-O 3.13Å; R404-K408 WeakPolarHBondContact CB-O 3.39Å; D406-K408 PolarHBondContact O-N 3.38Å; D406-K408 WeakPolarHBondContact OD1-CB 3.33Å; D406-K408 PolarHBondContact OD1-N 2.99Å
409	P	84.8	Confident	88.3	Confident	16 Å²	16	32.8 Å²	32.8	10%	0.104	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-70.9	162.1	167.8	30	-35	0	0	0	111.8	M358 R404	M358-P409 HydrophobicContact CB-CB 3.92Å; M358-P409 HydrophobicContact CE-CB 3.4Å; M358-P409 HydrophobicContact CE-CG 3.18Å; M358-P409 HydrophobicContact CG-CB 4.28Å; M358-P409 HydrophobicContact SD-CB 3.45Å; M358-P409 WeakPolarHBondContact SD-CB 3.11Å; M358-P409 HydrophobicContact SD-CG 4Å; R404-P409 PolarHBondContact NH1-O 3.44Å
410	F	88	Confident	88.2	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.018	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-65.7	136.5	173.8	-67	-76.3	0	0	0	110.2	A270 N356 M358 N382 L384 F401 R404 D414	A270-F410 HydrophobicContact CB-CZ 4.3Å; N356-F410 PolarHBondContact ND2-O 3.4Å; M358-F410 VanDerWaalsContact SD-O 3.41Å; N382-F410 WeakPolarHBondContact OD1-CD2 3.28Å; N382-F410 WeakPolarHBondContact OD1-CE2 3.24Å; L384-F410 HydrophobicContact CB-CB 4.35Å; L384-F410 HydrophobicContact CB-CD1 4.4Å; L384-F410 HydrophobicContact CB-CD2 3.72Å; L384-F410 HydrophobicContact CB-CE2 4.07Å; L384-F410 HydrophobicContact CB-CG 3.9Å; L384-F410 HydrophobicContact CD2-CB 4.44Å; L384-F410 HydrophobicContact CD2-CD1 4.23Å; L384-F410 HydrophobicContact CD2-CG 4.29Å; F401-F410 HydrophobicContact CB-CZ 4.07Å; R404-F410 HydrophobicContact CB-CD1 4.46Å; R404-F410 HydrophobicContact CB-CE1 4.22Å; R404-F410 HydrophobicContact CB-CZ 4.39Å; R404-F410 HydrophobicContact CG-CD1 4.44Å; R404-F410 HydrophobicContact CG-CE1 4.32Å; F410-D414 HydrophobicContact CB-CB 4.4Å; F410-D414 HydrophobicContact CD1-CB 3.99Å
411	D	85.4	Confident	88.1	Confident	28 Å²	28	33.7 Å²	33.7	15%	0.15	17%	0.173	C	C	.	.			trans	-102.6	175.3	177.5	61.4	42.7	0	0	0	112.1	Y227 R404 Y413 D414 E415	Y227-D411 PolarHBondContact OH-OD2 3.22Å; R404-D411 IonicContact CZ-OD2 2.69Å; R404-D411 IonicContact NH1-OD2 3.6Å; R404-D411 PolarHBondContact NH1-OD2 2.96Å; R404-D411 IonicContact NH2-OD2 3.68Å; R404-D411 PolarHBondContact NH2-OD2 3.14Å; D411-Y413 PolarHBondContact O-N 2.94Å; D411-Y413 WeakPolarHBondContact OD1-CA 3.21Å; D411-Y413 VanDerWaalsContact OD1-CB 3.3Å; D411-Y413 WeakPolarHBondContact OD1-CB 3.44Å; D411-Y413 PolarHBondContact OD1-N 3.37Å; D411-D414 PolarHBondContact N-OD2 2.88Å; D411-D414 PolarHBondContact O-N 2.98Å; D411-D414 VanDerWaalsContact O-N 3.14Å; D411-D414 PolarHBondContact OD1-N 3.41Å; D411-E415 PolarHBondContact O-N 3.36Å; D411-E415 VanDerWaalsContact O-N 3.08Å
412	E	85.2	Confident	88	Confident	64 Å²	64	33.8 Å²	33.8	30%	0.299	17%	0.174	S	C	.	.	H	α-helix	trans	-58.1	-27.9	178.2	-170.3	-179	154.7	0	0	112.9	S99 E415 Q416	S99-E412 WeakPolarHBondContact CB-OE2 3.32Å; S99-E412 PolarHBondContact OG-OE2 2.95Å; E412-E415 WeakPolarHBondContact O-CB 3.41Å; E412-E415 PolarHBondContact O-N 2.8Å; E412-Q416 VanDerWaalsContact O-CG 3.31Å; E412-Q416 WeakPolarHBondContact O-CG 3.38Å; E412-Q416 PolarHBondContact O-N 3.24Å; E412-Q416 PolarHBondContact OE1-NE2 3.31Å
413	Y	87.9	Confident	87.9	Confident	68 Å²	68	37.4 Å²	37.4	27%	0.267	19%	0.191	S	C	.	.	H	α-helix	trans	-76.5	-36.8	178.3	-57.7	-70.6	0	0	0	111.7	Y227 M228 V231 D411 E415 Q416 I417	Y227-Y413 AromaticContact CE1-CD2 3.79Å; Y227-Y413 HydrophobicContact CE1-CD2 3.79Å; Y227-Y413 HydrophobicContact CE1-CE2 4.02Å; M228-Y413 HydrophobicContact CE-CD1 4.47Å; M228-Y413 HydrophobicContact CE-CE1 3.68Å; M228-Y413 HydrophobicContact SD-CE1 3.78Å; M228-Y413 HydrophobicContact SD-CE2 4.18Å; M228-Y413 VanDerWaalsContact SD-CZ 3.53Å; M228-Y413 PolarHBondContact SD-OH 2.86Å; V231-Y413 HydrophobicContact CG1-CD1 3.89Å; V231-Y413 HydrophobicContact CG1-CG 3.97Å; V231-Y413 HydrophobicContact CG2-CG 4.25Å; D411-Y413 PolarHBondContact O-N 2.94Å; D411-Y413 WeakPolarHBondContact OD1-CA 3.21Å; D411-Y413 VanDerWaalsContact OD1-CB 3.3Å; D411-Y413 WeakPolarHBondContact OD1-CB 3.44Å; D411-Y413 PolarHBondContact OD1-N 3.37Å; Y413-E415 VanDerWaalsContact C-N 3.3Å; Y413-Q416 PolarHBondContact O-N 3.09Å; Y413-I417 VanDerWaalsContact O-CG1 3.26Å; Y413-I417 WeakPolarHBondContact O-CG1 3.32Å; Y413-I417 PolarHBondContact O-N 2.95Å
414	D	89.4	Confident	87.9	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-36.9	171.2	-65.4	-48.7	0	0	0	111	R234 R404 F410 D411 T418	R234-D414 IonicContact CZ-OD1 2.74Å; R234-D414 IonicContact NH1-OD1 2.67Å; R234-D414 PolarHBondContact NH1-OD1 3.5Å; R234-D414 IonicContact NH2-OD1 3.28Å; R234-D414 PolarHBondContact NH2-OD1 3Å; R234-D414 VanDerWaalsContact NH2-OD1 3.08Å; R404-D414 IonicContact CZ-OD2 2.71Å; R404-D414 IonicContact NE-OD2 3.55Å; R404-D414 PolarHBondContact NE-OD2 3.29Å; R404-D414 IonicContact NH1-OD2 2.68Å; R404-D414 PolarHBondContact NH1-OD2 3.44Å; R404-D414 VanDerWaalsContact NH1-OD2 3.1Å; R404-D414 IonicContact NH2-OD2 3.43Å; R404-D414 PolarHBondContact NH2-OD2 3.07Å; F410-D414 HydrophobicContact CB-CB 4.4Å; F410-D414 HydrophobicContact CD1-CB 3.99Å; D411-D414 PolarHBondContact N-OD2 2.88Å; D411-D414 PolarHBondContact O-N 2.98Å; D411-D414 VanDerWaalsContact O-N 3.14Å; D411-D414 PolarHBondContact OD1-N 3.41Å; D414-T418 VanDerWaalsContact O-CB 3.26Å; D414-T418 WeakPolarHBondContact O-CB 3.27Å; D414-T418 PolarHBondContact O-N 2.78Å; D414-T418 PolarHBondContact O-OG1 3.41Å
415	E	88.7	Confident	87.9	Confident	18 Å²	18	38.7 Å²	38.7	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-57.4	-54.3	170.1	-70	171.8	-152.6	0	0	110.8	N356 L384 D411 E412 Y413 I417 T418 E419	N356-E415 HydrophobicContact CB-CG 4.3Å; N356-E415 VanDerWaalsContact CB-OE1 3.26Å; N356-E415 WeakPolarHBondContact CB-OE1 3.49Å; N356-E415 PolarHBondContact ND2-OE1 2.85Å; L384-E415 HydrophobicContact CD1-CG 3.78Å; D411-E415 PolarHBondContact O-N 3.36Å; D411-E415 VanDerWaalsContact O-N 3.08Å; E412-E415 WeakPolarHBondContact O-CB 3.41Å; E412-E415 PolarHBondContact O-N 2.8Å; Y413-E415 VanDerWaalsContact C-N 3.3Å; E415-I417 PolarHBondContact O-N 2.96Å; E415-T418 PolarHBondContact O-N 3.09Å; E415-E419 VanDerWaalsContact O-CB 3.28Å; E415-E419 WeakPolarHBondContact O-CB 3.36Å; E415-E419 PolarHBondContact O-N 3.43Å
416	Q	89.1	Confident	88	Confident	70 Å²	70	33.3 Å²	33.3	33%	0.327	17%	0.173	S	C	.	.	H	α-helix	trans	-61.9	-40.4	-178.6	-71.8	174.6	17.8	0	0	113.5	E412 Y413 T418 A420	E412-Q416 VanDerWaalsContact O-CG 3.31Å; E412-Q416 WeakPolarHBondContact O-CG 3.38Å; E412-Q416 PolarHBondContact O-N 3.24Å; E412-Q416 PolarHBondContact OE1-NE2 3.31Å; Y413-Q416 PolarHBondContact O-N 3.09Å; Q416-T418 VanDerWaalsContact C-N 3.35Å; Q416-A420 WeakPolarHBondContact O-CB 3.36Å; Q416-A420 PolarHBondContact O-N 3.49Å
417	I	90.9	Very high	88.3	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-64.2	-44.5	177.6	-70.4	167.5	0	0	0	110.2	V231 R234 R235 V238 Y413 E415 A420 L421	V231-I417 HydrophobicContact CG1-CD1 4.25Å; R234-I417 HydrophobicContact CB-CD1 4.23Å; R235-I417 HydrophobicContact CB-CG1 3.9Å; R235-I417 HydrophobicContact CG-CG1 4.18Å; V238-I417 HydrophobicContact CB-CG2 4.48Å; V238-I417 HydrophobicContact CG2-CG2 4.16Å; Y413-I417 VanDerWaalsContact O-CG1 3.26Å; Y413-I417 WeakPolarHBondContact O-CG1 3.32Å; Y413-I417 PolarHBondContact O-N 2.95Å; E415-I417 PolarHBondContact O-N 2.96Å; I417-A420 PolarHBondContact O-N 2.88Å; I417-L421 PolarHBondContact O-N 3.44Å; I417-L421 VanDerWaalsContact O-N 3.08Å
418	T	90.8	Very high	88.7	Confident	7 Å²	7	34.4 Å²	34.4	4%	0.043	16%	0.159	C	C	.	.	H	α-helix	trans	-72.4	-36	-177.5	-53.1	0	0	0	0	111.4	L386 F401 D414 E415 Q416 L421 T422	L386-T418 HydrophobicContact CD1-CG2 3.51Å; L386-T418 HydrophobicContact CD2-CG2 4.12Å; L386-T418 HydrophobicContact CG-CG2 4.38Å; F401-T418 HydrophobicContact CD2-CG2 3.72Å; F401-T418 HydrophobicContact CE2-CG2 3.12Å; F401-T418 HydrophobicContact CZ-CG2 3.65Å; D414-T418 VanDerWaalsContact O-CB 3.26Å; D414-T418 WeakPolarHBondContact O-CB 3.27Å; D414-T418 PolarHBondContact O-N 2.78Å; D414-T418 PolarHBondContact O-OG1 3.41Å; E415-T418 PolarHBondContact O-N 3.09Å; Q416-T418 VanDerWaalsContact C-N 3.35Å; T418-L421 PolarHBondContact O-N 3.17Å; T418-T422 WeakPolarHBondContact O-CG2 3.31Å; T418-T422 PolarHBondContact O-N 3.1Å; T418-T422 PolarHBondContact O-OG1 3.46Å
419	E	91.2	Very high	88.8	Confident	73 Å²	73	31.5 Å²	31.5	34%	0.341	15%	0.147	S	C	.	.	H	α-helix	trans	-60.8	-49.3	172.2	-172.4	-172.4	174.2	0	0	110.5	I354 L386 E415 L421 T422 Q423	I354-E419 HydrophobicContact CD1-CB 4.28Å; I354-E419 HydrophobicContact CD1-CG 4.02Å; L386-E419 HydrophobicContact CD2-CB 3.87Å; E415-E419 VanDerWaalsContact O-CB 3.28Å; E415-E419 WeakPolarHBondContact O-CB 3.36Å; E415-E419 PolarHBondContact O-N 3.43Å; E419-L421 VanDerWaalsContact C-N 3.27Å; E419-L421 PolarHBondContact O-N 2.95Å; E419-T422 WeakPolarHBondContact CA-OG1 3.38Å; E419-T422 PolarHBondContact O-N 2.95Å; E419-T422 PolarHBondContact O-OG1 2.94Å; E419-Q423 HydrophobicContact CG-CG 4.44Å; E419-Q423 WeakPolarHBondContact O-CB 3.17Å; E419-Q423 WeakPolarHBondContact O-CG 3.26Å; E419-Q423 PolarHBondContact O-N 2.77Å; E419-Q423 PolarHBondContact OE1-NE2 2.95Å
420	A	91.3	Very high	88.6	Confident	24 Å²	24	34.3 Å²	34.3	20%	0.198	16%	0.161	C	C	.	.	H	α-helix	trans	-60	-38.4	177.9	0	0	0	0	0	112.2	L239 Q416 I417 F424	L239-A420 HydrophobicContact CD1-CB 4.32Å; L239-A420 HydrophobicContact CD2-CB 4.02Å; Q416-A420 WeakPolarHBondContact O-CB 3.36Å; Q416-A420 PolarHBondContact O-N 3.49Å; I417-A420 PolarHBondContact O-N 2.88Å; A420-F424 VanDerWaalsContact O-CB 3.32Å; A420-F424 WeakPolarHBondContact O-CB 3.41Å; A420-F424 PolarHBondContact O-N 3.18Å; A420-F424 VanDerWaalsContact O-N 3.1Å
421	L	91.7	Very high	88.3	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-64	-49.2	174.4	173.7	61.3	0	0	0	112.2	V238 S242 L261 V264 L268 I417 T418 E419 F424 L425	V238-L421 HydrophobicContact CG1-CB 4.01Å; V238-L421 HydrophobicContact CG1-CD1 4Å; V238-L421 HydrophobicContact CG1-CD2 4.18Å; V238-L421 HydrophobicContact CG1-CG 4.3Å; S242-L421 WeakPolarHBondContact OG-CD1 3.11Å; L261-L421 HydrophobicContact CD2-CD2 4.03Å; V264-L421 HydrophobicContact CG2-CD1 4.39Å; V264-L421 HydrophobicContact CG2-CD2 4.06Å; L268-L421 HydrophobicContact CD1-CD2 4.33Å; L268-L421 HydrophobicContact CD2-CD2 3.84Å; I417-L421 PolarHBondContact O-N 3.44Å; I417-L421 VanDerWaalsContact O-N 3.08Å; T418-L421 PolarHBondContact O-N 3.17Å; E419-L421 VanDerWaalsContact C-N 3.27Å; E419-L421 PolarHBondContact O-N 2.95Å; L421-F424 PolarHBondContact O-N 3.22Å; L421-L425 HydrophobicContact CD1-CD1 4.09Å; L421-L425 HydrophobicContact CD1-CG 4.14Å; L421-L425 HydrophobicContact CG-CD1 4.14Å; L421-L425 WeakPolarHBondContact O-CG 3.5Å; L421-L425 PolarHBondContact O-N 2.86Å
422	T	91.3	Very high	88.1	Confident	5 Å²	5	35.4 Å²	35.4	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-68.3	-37.4	-177.1	49.3	0	0	0	0	112.4	L386 I388 A399 T418 E419 L425 G426	L386-T422 HydrophobicContact CB-CG2 4.28Å; I388-T422 HydrophobicContact CG1-CG2 4.03Å; A399-T422 HydrophobicContact CB-CG2 3.99Å; T418-T422 WeakPolarHBondContact O-CG2 3.31Å; T418-T422 PolarHBondContact O-N 3.1Å; T418-T422 PolarHBondContact O-OG1 3.46Å; E419-T422 WeakPolarHBondContact CA-OG1 3.38Å; E419-T422 PolarHBondContact O-N 2.95Å; E419-T422 PolarHBondContact O-OG1 2.94Å; T422-L425 PolarHBondContact O-N 3.04Å; T422-G426 PolarHBondContact O-N 2.93Å
423	Q	89.5	Confident	87.8	Confident	77 Å²	77	35 Å²	35	36%	0.36	17%	0.167	S	C	.	.	H	α-helix	trans	-60.2	-45.7	170.1	-72.2	177.6	3.9	0	0	111.4	E419 G426 W427	E419-Q423 HydrophobicContact CG-CG 4.44Å; E419-Q423 WeakPolarHBondContact O-CB 3.17Å; E419-Q423 WeakPolarHBondContact O-CG 3.26Å; E419-Q423 PolarHBondContact O-N 2.77Å; E419-Q423 PolarHBondContact OE1-NE2 2.95Å; Q423-G426 PolarHBondContact O-N 3.39Å; Q423-W427 PolarHBondContact O-N 3.48Å
424	F	90	Very high	87.5	Confident	40 Å²	40	35.3 Å²	35.3	18%	0.175	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-46.1	178.9	-177.3	-98.4	0	0	0	112.2	L239 A243 V246 A420 L421 G426 W427 S428	L239-F424 HydrophobicContact CD2-CB 4.25Å; A243-F424 VanDerWaalsContact CA-CE1 3.41Å; A243-F424 HydrophobicContact CB-CE1 3.95Å; A243-F424 HydrophobicContact CB-CE2 4.02Å; A243-F424 HydrophobicContact CB-CZ 3.44Å; A243-F424 VanDerWaalsContact CB-CZ 3.44Å; V246-F424 HydrophobicContact CB-CE1 3.79Å; V246-F424 HydrophobicContact CB-CZ 4.17Å; V246-F424 HydrophobicContact CG1-CE1 3.97Å; V246-F424 HydrophobicContact CG1-CZ 3.94Å; V246-F424 HydrophobicContact CG2-CD1 4.39Å; V246-F424 HydrophobicContact CG2-CE1 3.65Å; V246-F424 HydrophobicContact CG2-CZ 4.47Å; A420-F424 VanDerWaalsContact O-CB 3.32Å; A420-F424 WeakPolarHBondContact O-CB 3.41Å; A420-F424 PolarHBondContact O-N 3.18Å; A420-F424 VanDerWaalsContact O-N 3.1Å; L421-F424 PolarHBondContact O-N 3.22Å; F424-G426 VanDerWaalsContact C-N 3.33Å; F424-G426 PolarHBondContact O-N 3.21Å; F424-W427 PolarHBondContact O-N 3.45Å; F424-S428 PolarHBondContact O-N 3.49Å
425	L	90	Very high	87.2	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-60.3	-43.4	174.5	-70.3	176	0	0	0	111.2	V246 F257 A260 L261 I388 L421 T422 W427 S428	V246-L425 HydrophobicContact CG2-CD2 4.29Å; F257-L425 HydrophobicContact CD1-CB 4.41Å; F257-L425 HydrophobicContact CD1-CD2 4.02Å; F257-L425 HydrophobicContact CE1-CB 3.94Å; F257-L425 HydrophobicContact CE1-CD2 4.33Å; F257-L425 WeakPolarHBondContact CE1-O 3.45Å; F257-L425 HydrophobicContact CE2-CB 4.44Å; F257-L425 HydrophobicContact CG-CD2 4.43Å; F257-L425 HydrophobicContact CZ-CB 3.97Å; A260-L425 HydrophobicContact CB-CD2 3.75Å; L261-L425 HydrophobicContact CD1-CD1 4.43Å; L261-L425 HydrophobicContact CD2-CD1 4.04Å; L261-L425 HydrophobicContact CG-CD1 4.14Å; I388-L425 HydrophobicContact CG2-CB 4.36Å; L421-L425 HydrophobicContact CD1-CD1 4.09Å; L421-L425 HydrophobicContact CD1-CG 4.14Å; L421-L425 HydrophobicContact CG-CD1 4.14Å; L421-L425 WeakPolarHBondContact O-CG 3.5Å; L421-L425 PolarHBondContact O-N 2.86Å; T422-L425 PolarHBondContact O-N 3.04Å; L425-W427 PolarHBondContact O-N 2.92Å; L425-S428 WeakPolarHBondContact O-CB 3.44Å; L425-S428 PolarHBondContact O-N 3.09Å; L425-S428 VanDerWaalsContact O-N 3.15Å; L425-S428 PolarHBondContact O-OG 3.28Å
426	G	88.9	Confident	86.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.5	-39.2	177.5	0	0	0	0	0	113.5	V389 N390 T422 Q423 F424 S428 V429	V389-G426 VanDerWaalsContact O-CA 3.28Å; V389-G426 WeakPolarHBondContact O-CA 3.43Å; N390-G426 WeakPolarHBondContact CA-O 3.31Å; T422-G426 PolarHBondContact O-N 2.93Å; Q423-G426 PolarHBondContact O-N 3.39Å; F424-G426 VanDerWaalsContact C-N 3.33Å; F424-G426 PolarHBondContact O-N 3.21Å; G426-S428 VanDerWaalsContact C-N 3.33Å; G426-S428 PolarHBondContact O-N 3Å; G426-V429 WeakPolarHBondContact O-CB 3.3Å
427	W	87.4	Confident	86.5	Confident	141 Å²	141	44.4 Å²	44.4	53%	0.534	21%	0.211	S	C	.	.	H	α-helix	trans	-68.6	-31.7	173.9	-66.4	-13	0	0	0	113.2	Q423 F424 L425 V429 L430	Q423-W427 PolarHBondContact O-N 3.48Å; F424-W427 PolarHBondContact O-N 3.45Å; L425-W427 PolarHBondContact O-N 2.92Å; W427-V429 PolarHBondContact O-N 3.47Å; W427-L430 WeakPolarHBondContact O-CB 3.32Å; W427-L430 PolarHBondContact O-N 2.96Å
428	S	88.9	Confident	86.3	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.028	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-25.9	-179.5	74.5	0	0	0	0	113.9	V246 Q256 F424 L425 G426 L430 N431	V246-S428 VanDerWaalsContact CG1-CB 3.42Å; Q256-S428 PolarHBondContact OE1-OG 3.17Å; Q256-S428 VanDerWaalsContact OE1-OG 3.06Å; F424-S428 PolarHBondContact O-N 3.49Å; L425-S428 WeakPolarHBondContact O-CB 3.44Å; L425-S428 PolarHBondContact O-N 3.09Å; L425-S428 VanDerWaalsContact O-N 3.15Å; L425-S428 PolarHBondContact O-OG 3.28Å; G426-S428 VanDerWaalsContact C-N 3.33Å; G426-S428 PolarHBondContact O-N 3Å; S428-L430 PolarHBondContact O-N 3.4Å; S428-L430 VanDerWaalsContact O-N 3.15Å; S428-N431 WeakPolarHBondContact O-CB 3.49Å; S428-N431 PolarHBondContact O-N 3.3Å; S428-N431 VanDerWaalsContact O-N 3.08Å
429	V	84.8	Confident	86	Confident	13 Å²	13	50.3 Å²	50.3	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-56.2	-30.1	175.3	175.4	0	0	0	0	112.6	I253 F257 V396 G426 W427 N431 C432 D433	I253-V429 HydrophobicContact CD1-CG1 3.75Å; I253-V429 HydrophobicContact CG1-CG1 4.33Å; I253-V429 HydrophobicContact CG2-CG2 4.08Å; F257-V429 HydrophobicContact CE1-CG2 3.91Å; F257-V429 HydrophobicContact CZ-CG2 3.76Å; V396-V429 HydrophobicContact CG1-CG2 4.17Å; V396-V429 HydrophobicContact CG2-CG2 4.49Å; G426-V429 WeakPolarHBondContact O-CB 3.3Å; W427-V429 PolarHBondContact O-N 3.47Å; V429-N431 PolarHBondContact O-N 3.32Å; V429-C432 PolarHBondContact O-N 3.05Å; V429-D433 PolarHBondContact O-N 2.76Å; V429-D433 VanDerWaalsContact O-N 3.11Å
430	L	81	Confident	85.7	Confident	76 Å²	76	53.5 Å²	53.5	40%	0.398	25%	0.251	S	S	.	.	H	α-helix	trans	-59.9	-35	178.7	-179	64	0	0	0	112.4	K391 W427 S428 T434	K391-L430 HydrophobicContact CD-CD2 4.34Å; W427-L430 WeakPolarHBondContact O-CB 3.32Å; W427-L430 PolarHBondContact O-N 2.96Å; S428-L430 PolarHBondContact O-N 3.4Å; S428-L430 VanDerWaalsContact O-N 3.15Å; L430-T434 WeakPolarHBondContact O-CB 3.43Å; L430-T434 PolarHBondContact O-N 3.28Å; L430-T434 PolarHBondContact O-OG1 3.04Å
431	N	81.6	Confident	85.4	Confident	50 Å²	50	58.1 Å²	58.1	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-66.1	-48.1	179.2	-68	-20.1	0	0	0	109.9	L250 S428 V429 D433 T434 Y435	L250-N431 HydrophobicContact CD2-CB 4.44Å; S428-N431 WeakPolarHBondContact O-CB 3.49Å; S428-N431 PolarHBondContact O-N 3.3Å; S428-N431 VanDerWaalsContact O-N 3.08Å; V429-N431 PolarHBondContact O-N 3.32Å; N431-D433 PolarHBondContact O-N 3.16Å; N431-T434 PolarHBondContact O-N 3.24Å; N431-T434 VanDerWaalsContact O-N 3.16Å; N431-Y435 VanDerWaalsContact O-CD2 3.3Å; N431-Y435 WeakPolarHBondContact O-CD2 3.37Å; N431-Y435 PolarHBondContact O-N 3.27Å
432	C	79.9	Confident	85.1	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.034	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-45.1	180	-57.3	0	0	0	0	112.4	L250 I253 V429 T434 Y435 D436	L250-C432 VanDerWaalsContact O-CA 3.24Å; L250-C432 WeakPolarHBondContact O-CA 3.25Å; L250-C432 PolarHBondContact O-N 3.2Å; L250-C432 PolarHBondContact O-SG 3.15Å; I253-C432 HydrophobicContact CD1-CB 4.31Å; I253-C432 HydrophobicContact CG1-CB 3.53Å; V429-C432 PolarHBondContact O-N 3.05Å; C432-T434 VanDerWaalsContact C-N 3.31Å; C432-T434 PolarHBondContact O-N 2.67Å; C432-Y435 PolarHBondContact O-N 3.47Å; C432-D436 PolarHBondContact O-N 2.87Å
433	D	79	Confident	84.9	Confident	54 Å²	54	69.1 Å²	69.1	29%	0.289	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-40.4	175.1	178.9	35.3	0	0	0	111.8	V429 N431 D436 R437	V429-D433 PolarHBondContact O-N 2.76Å; V429-D433 VanDerWaalsContact O-N 3.11Å; N431-D433 PolarHBondContact O-N 3.16Å; D433-D436 PolarHBondContact O-N 2.95Å; D433-R437 VanDerWaalsContact O-CG 3.28Å; D433-R437 WeakPolarHBondContact O-CG 3.04Å; D433-R437 PolarHBondContact O-N 3.26Å; D433-R437 IonicContact OD1-CZ 3.42Å; D433-R437 IonicContact OD1-NE 3.67Å; D433-R437 PolarHBondContact OD1-NE 2.7Å; D433-R437 IonicContact OD1-NH2 3.08Å; D433-R437 PolarHBondContact OD1-NH2 2.92Å; D433-R437 IonicContact OD2-CZ 3.1Å; D433-R437 IonicContact OD2-NE 3.9Å; D433-R437 PolarHBondContact OD2-NE 2.82Å; D433-R437 IonicContact OD2-NH2 3.75Å; D433-R437 PolarHBondContact OD2-NH2 3.12Å
434	T	82.2	Confident	84.9	Confident	76 Å²	76	74.1 Å²	74.1	47%	0.466	33%	0.331	S	S	.	.	H	α-helix	trans	-65.5	-43.8	178.8	-55.8	0	0	0	0	111.8	L430 N431 C432 R437 L438	L430-T434 WeakPolarHBondContact O-CB 3.43Å; L430-T434 PolarHBondContact O-N 3.28Å; L430-T434 PolarHBondContact O-OG1 3.04Å; N431-T434 PolarHBondContact O-N 3.24Å; N431-T434 VanDerWaalsContact O-N 3.16Å; C432-T434 VanDerWaalsContact C-N 3.31Å; C432-T434 PolarHBondContact O-N 2.67Å; T434-R437 PolarHBondContact O-N 3.48Å; T434-L438 WeakPolarHBondContact O-CB 3.45Å; T434-L438 PolarHBondContact O-N 3.21Å
435	Y	82.8	Confident	84.7	Confident	94 Å²	94	77.6 Å²	77.6	37%	0.369	35%	0.346	S	S	.	.	H	α-helix	trans	-67.2	-40	177.2	-86.5	-79.2	0	0	0	112.3	L250 N431 C432 R437 L438 N439	L250-Y435 HydrophobicContact CB-CD2 3.85Å; L250-Y435 HydrophobicContact CB-CE2 3.64Å; L250-Y435 HydrophobicContact CD1-CE2 3.79Å; L250-Y435 HydrophobicContact CG-CE2 4.23Å; N431-Y435 VanDerWaalsContact O-CD2 3.3Å; N431-Y435 WeakPolarHBondContact O-CD2 3.37Å; N431-Y435 PolarHBondContact O-N 3.27Å; C432-Y435 PolarHBondContact O-N 3.47Å; Y435-R437 VanDerWaalsContact C-N 3.35Å; Y435-R437 PolarHBondContact O-N 3.37Å; Y435-L438 WeakPolarHBondContact O-CB 3.33Å; Y435-L438 PolarHBondContact O-N 2.9Å; Y435-N439 VanDerWaalsContact O-CG 3.29Å; Y435-N439 PolarHBondContact O-N 3.38Å; Y435-N439 PolarHBondContact O-ND2 3.41Å
436	D	80.4	Confident	84.3	Confident	56 Å²	56	80.8 Å²	80.8	30%	0.299	36%	0.363	S	S	.	.	H	α-helix	trans	-61.1	-44.8	175.2	-173.4	49.8	0	0	0	111.2	C432 D433 L438 N439 R440	C432-D436 PolarHBondContact O-N 2.87Å; D433-D436 PolarHBondContact O-N 2.95Å; D436-L438 VanDerWaalsContact C-N 3.32Å; D436-L438 PolarHBondContact O-N 3.42Å; D436-N439 PolarHBondContact O-N 3.24Å; D436-R440 WeakPolarHBondContact O-CG 3.27Å; D436-R440 PolarHBondContact O-N 2.74Å; D436-R440 IonicContact OD1-NE 3.87Å; D436-R440 IonicContact OD2-CZ 3.49Å; D436-R440 VanDerWaalsContact OD2-CZ 3.25Å; D436-R440 IonicContact OD2-NE 3.1Å; D436-R440 PolarHBondContact OD2-NE 2.73Å; D436-R440 IonicContact OD2-NH2 2.7Å; D436-R440 PolarHBondContact OD2-NH2 3.07Å
437	R	82.6	Confident	84.2	Confident	132 Å²	132	85.4 Å²	85.4	50%	0.498	39%	0.387	S	S	.	.	H	α-helix	trans	-61.1	-39.6	174.7	-70.7	175.8	-165.8	-162.8	4.6	112.7	D433 T434 Y435 R440 M441	D433-R437 VanDerWaalsContact O-CG 3.28Å; D433-R437 WeakPolarHBondContact O-CG 3.04Å; D433-R437 PolarHBondContact O-N 3.26Å; D433-R437 IonicContact OD1-CZ 3.42Å; D433-R437 IonicContact OD1-NE 3.67Å; D433-R437 PolarHBondContact OD1-NE 2.7Å; D433-R437 IonicContact OD1-NH2 3.08Å; D433-R437 PolarHBondContact OD1-NH2 2.92Å; D433-R437 IonicContact OD2-CZ 3.1Å; D433-R437 IonicContact OD2-NE 3.9Å; D433-R437 PolarHBondContact OD2-NE 2.82Å; D433-R437 IonicContact OD2-NH2 3.75Å; D433-R437 PolarHBondContact OD2-NH2 3.12Å; T434-R437 PolarHBondContact O-N 3.48Å; Y435-R437 VanDerWaalsContact C-N 3.35Å; Y435-R437 PolarHBondContact O-N 3.37Å; R437-R440 PolarHBondContact O-N 3.19Å; R437-M441 WeakPolarHBondContact O-CG 3.41Å; R437-M441 PolarHBondContact O-N 3.37Å
438	L	86.8	Confident	84.1	Confident	84 Å²	84	81 Å²	81	44%	0.44	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-47.7	176.2	-175.6	147.3	0	0	0	111.1	T434 Y435 D436 R440 M441 E442	T434-L438 WeakPolarHBondContact O-CB 3.45Å; T434-L438 PolarHBondContact O-N 3.21Å; Y435-L438 WeakPolarHBondContact O-CB 3.33Å; Y435-L438 PolarHBondContact O-N 2.9Å; D436-L438 VanDerWaalsContact C-N 3.32Å; D436-L438 PolarHBondContact O-N 3.42Å; L438-R440 VanDerWaalsContact C-N 3.33Å; L438-R440 PolarHBondContact O-N 3.19Å; L438-M441 WeakPolarHBondContact O-CB 3.45Å; L438-M441 PolarHBondContact O-N 3.47Å; L438-M441 VanDerWaalsContact O-N 3.09Å; L438-E442 PolarHBondContact O-N 2.83Å
439	N	85.4	Confident	83.8	Confident	51 Å²	51	84 Å²	84	27%	0.273	39%	0.393	S	S	.	.	H	α-helix	trans	-59.6	-43.4	176.8	-68.1	-18.4	0	0	0	111.5	Y435 D436 M441 E442 W443	Y435-N439 VanDerWaalsContact O-CG 3.29Å; Y435-N439 PolarHBondContact O-N 3.38Å; Y435-N439 PolarHBondContact O-ND2 3.41Å; D436-N439 PolarHBondContact O-N 3.24Å; N439-M441 VanDerWaalsContact C-N 3.29Å; N439-M441 PolarHBondContact O-N 2.89Å; N439-E442 WeakPolarHBondContact O-CB 3.47Å; N439-E442 PolarHBondContact O-N 3.19Å; N439-E442 VanDerWaalsContact O-N 3.15Å; N439-W443 HydrophobicContact CB-CH2 4.18Å; N439-W443 HydrophobicContact CB-CZ2 3.95Å; N439-W443 VanDerWaalsContact O-CD2 3.32Å; N439-W443 VanDerWaalsContact O-CG 3.24Å; N439-W443 PolarHBondContact O-N 3.44Å
440	R	84.7	Confident	83.6	Confident	139 Å²	139	90.2 Å²	90.2	53%	0.525	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-36.7	175.1	-69	-179.7	-164.4	-149.3	7.2	112.7	D436 R437 L438 W443 R444	D436-R440 WeakPolarHBondContact O-CG 3.27Å; D436-R440 PolarHBondContact O-N 2.74Å; D436-R440 IonicContact OD1-NE 3.87Å; D436-R440 IonicContact OD2-CZ 3.49Å; D436-R440 VanDerWaalsContact OD2-CZ 3.25Å; D436-R440 IonicContact OD2-NE 3.1Å; D436-R440 PolarHBondContact OD2-NE 2.73Å; D436-R440 IonicContact OD2-NH2 2.7Å; D436-R440 PolarHBondContact OD2-NH2 3.07Å; R437-R440 PolarHBondContact O-N 3.19Å; L438-R440 VanDerWaalsContact C-N 3.33Å; L438-R440 PolarHBondContact O-N 3.19Å; R440-W443 HydrophobicContact CG-CE3 4.18Å; R440-W443 HydrophobicContact CG-CZ3 4.03Å; R440-R444 VanDerWaalsContact O-CG 3.27Å; R440-R444 WeakPolarHBondContact O-CG 3.46Å; R440-R444 PolarHBondContact O-N 2.84Å; R440-R444 VanDerWaalsContact O-N 3.1Å
441	M	85.4	Confident	83.7	Confident	122 Å²	122	92.4 Å²	92.4	60%	0.601	43%	0.431	S	S	*	.	H	α-helix	trans	-68.8	-38.9	175	-72.7	-172.5	-66.2	0	0	111.9	R437 L438 N439 R444 K445	R437-M441 WeakPolarHBondContact O-CG 3.41Å; R437-M441 PolarHBondContact O-N 3.37Å; L438-M441 WeakPolarHBondContact O-CB 3.45Å; L438-M441 PolarHBondContact O-N 3.47Å; L438-M441 VanDerWaalsContact O-N 3.09Å; N439-M441 VanDerWaalsContact C-N 3.29Å; N439-M441 PolarHBondContact O-N 2.89Å; M441-R444 PolarHBondContact O-N 3.04Å; M441-K445 PolarHBondContact O-N 3.43Å
442	E	84.1	Confident	83.7	Confident	94 Å²	94	95 Å²	95	44%	0.439	45%	0.445	S	S	.	.	H	α-helix	trans	-62.5	-48.3	175.3	-173	167.1	-156	0	0	111.3	L438 N439 R444 K445 D446	L438-E442 PolarHBondContact O-N 2.83Å; N439-E442 WeakPolarHBondContact O-CB 3.47Å; N439-E442 PolarHBondContact O-N 3.19Å; N439-E442 VanDerWaalsContact O-N 3.15Å; E442-R444 VanDerWaalsContact C-N 3.31Å; E442-R444 PolarHBondContact O-N 3.31Å; E442-K445 WeakPolarHBondContact O-CA 3.32Å; E442-K445 WeakPolarHBondContact O-CB 3.37Å; E442-K445 PolarHBondContact O-N 2.96Å; E442-D446 PolarHBondContact O-N 3.34Å
443	W	87.5	Confident	83.8	Confident	142 Å²	142	96.7 Å²	96.7	54%	0.538	45%	0.453	S	S	.	.	H	α-helix	trans	-60.5	-39.2	176	-57.8	-27.6	0	0	0	112.7	N439 R440 K445 D446 I447	N439-W443 HydrophobicContact CB-CH2 4.18Å; N439-W443 HydrophobicContact CB-CZ2 3.95Å; N439-W443 VanDerWaalsContact O-CD2 3.32Å; N439-W443 VanDerWaalsContact O-CG 3.24Å; N439-W443 PolarHBondContact O-N 3.44Å; R440-W443 HydrophobicContact CG-CE3 4.18Å; R440-W443 HydrophobicContact CG-CZ3 4.03Å; W443-K445 VanDerWaalsContact C-N 3.31Å; W443-K445 PolarHBondContact O-N 3.27Å; W443-D446 PolarHBondContact O-N 2.94Å; W443-I447 VanDerWaalsContact O-CG1 3.25Å; W443-I447 WeakPolarHBondContact O-CG1 3.32Å; W443-I447 PolarHBondContact O-N 3.33Å
444	R	89.6	Confident	83.9	Confident	183 Å²	183	103.1 Å²	103.1	69%	0.691	47%	0.474	S	S	*	.	H	α-helix	trans	-61.5	-40.6	174.1	-76.8	174.2	-177.9	-165.5	1.3	112.1	R440 M441 E442 A448	R440-R444 VanDerWaalsContact O-CG 3.27Å; R440-R444 WeakPolarHBondContact O-CG 3.46Å; R440-R444 PolarHBondContact O-N 2.84Å; R440-R444 VanDerWaalsContact O-N 3.1Å; M441-R444 PolarHBondContact O-N 3.04Å; E442-R444 VanDerWaalsContact C-N 3.31Å; E442-R444 PolarHBondContact O-N 3.31Å; R444-A448 WeakPolarHBondContact O-CB 3.25Å; R444-A448 PolarHBondContact O-N 2.92Å
445	K	85.8	Confident	84	Confident	113 Å²	113	106.1 Å²	106.1	49%	0.491	48%	0.483	S	S	.	.	H	α-helix	trans	-63.5	-46.5	176.7	-175.1	-147.2	72.8	-176.8	0	110.3	M441 E442 W443 A448 Q449	M441-K445 PolarHBondContact O-N 3.43Å; E442-K445 WeakPolarHBondContact O-CA 3.32Å; E442-K445 WeakPolarHBondContact O-CB 3.37Å; E442-K445 PolarHBondContact O-N 2.96Å; W443-K445 VanDerWaalsContact C-N 3.31Å; W443-K445 PolarHBondContact O-N 3.27Å; K445-A448 PolarHBondContact O-N 3.15Å; K445-Q449 WeakPolarHBondContact O-CB 3.38Å; K445-Q449 PolarHBondContact O-N 2.89Å
446	D	81.4	Confident	84.1	Confident	68 Å²	68	103 Å²	103	36%	0.364	47%	0.474	S	S	.	.	H	α-helix	trans	-63.7	-44.4	-179.3	-66.1	-12.7	0	0	0	111.7	E442 W443 A448 Q449 E450	E442-D446 PolarHBondContact O-N 3.34Å; W443-D446 PolarHBondContact O-N 2.94Å; D446-A448 PolarHBondContact O-N 3.35Å; D446-Q449 PolarHBondContact O-N 3.03Å; D446-E450 PolarHBondContact O-N 3.39Å
447	I	87.2	Confident	84.6	Confident	97 Å²	97	102.8 Å²	102.8	50%	0.497	47%	0.47	S	S	.	.	H	α-helix	trans	-59.3	-46.2	174.4	-67.7	165	0	0	0	110.9	W443 Q449 E450 M451	W443-I447 VanDerWaalsContact O-CG1 3.25Å; W443-I447 WeakPolarHBondContact O-CG1 3.32Å; W443-I447 PolarHBondContact O-N 3.33Å; I447-Q449 VanDerWaalsContact C-N 3.31Å; I447-Q449 PolarHBondContact O-N 3.39Å; I447-E450 PolarHBondContact O-N 3.46Å; I447-M451 HydrophobicContact CG2-SD 4.28Å; I447-M451 WeakPolarHBondContact O-CG 3.42Å; I447-M451 PolarHBondContact O-N 2.71Å
448	A	85.6	Confident	85	Confident	47 Å²	47	96.6 Å²	96.6	39%	0.388	45%	0.447	S	S	.	.	H	α-helix	trans	-63.6	-38.3	178.9	0	0	0	0	0	112	R444 K445 D446 M451 L452	R444-A448 WeakPolarHBondContact O-CB 3.25Å; R444-A448 PolarHBondContact O-N 2.92Å; K445-A448 PolarHBondContact O-N 3.15Å; D446-A448 PolarHBondContact O-N 3.35Å; A448-M451 PolarHBondContact O-N 2.96Å; A448-L452 WeakPolarHBondContact O-CG 3.33Å; A448-L452 PolarHBondContact O-N 3.35Å
449	Q	81.7	Confident	85.2	Confident	68 Å²	68	95.9 Å²	95.9	32%	0.318	45%	0.446	S	S	.	.	H	α-helix	trans	-65.1	-42.8	176.1	-176.2	170.8	-13.8	0	0	111.4	K445 D446 I447 L452 M453 T638	K445-Q449 WeakPolarHBondContact O-CB 3.38Å; K445-Q449 PolarHBondContact O-N 2.89Å; D446-Q449 PolarHBondContact O-N 3.03Å; I447-Q449 VanDerWaalsContact C-N 3.31Å; I447-Q449 PolarHBondContact O-N 3.39Å; Q449-L452 PolarHBondContact O-N 3.35Å; Q449-M453 WeakPolarHBondContact O-CG 3.47Å; Q449-M453 PolarHBondContact O-N 3.05Å; Q449-T638 PolarHBondContact NE2-OG1 3.16Å
450	E	81.1	Confident	85.3	Confident	143 Å²	143	96.3 Å²	96.3	67%	0.668	45%	0.453	S	S	*	.	H	α-helix	trans	-61.5	-45.1	175.1	-170.4	-178.1	173.4	0	0	111.7	D446 I447 L452 M453 Y454	D446-E450 PolarHBondContact O-N 3.39Å; I447-E450 PolarHBondContact O-N 3.46Å; E450-L452 VanDerWaalsContact C-N 3.31Å; E450-L452 PolarHBondContact O-N 3.05Å; E450-M453 PolarHBondContact O-N 3.04Å; E450-Y454 PolarHBondContact O-N 2.96Å
451	M	83.8	Confident	85.5	Confident	123 Å²	123	96 Å²	96	61%	0.606	46%	0.462	S	S	*	.	H	α-helix	trans	-59.1	-41	175.7	-70.7	180	76.4	0	0	112.4	I447 A448 Q455	I447-M451 HydrophobicContact CG2-SD 4.28Å; I447-M451 WeakPolarHBondContact O-CG 3.42Å; I447-M451 PolarHBondContact O-N 2.71Å; A448-M451 PolarHBondContact O-N 2.96Å; M451-Q455 PolarHBondContact O-N 3.23Å
452	L	81.3	Confident	85.8	Confident	104 Å²	104	92.2 Å²	92.2	55%	0.545	44%	0.443	S	S	.	.	H	α-helix	trans	-67.6	-43.9	176.8	-73.9	167.4	0	0	0	111.6	A448 Q449 E450 Y454 Q455 T456	A448-L452 WeakPolarHBondContact O-CG 3.33Å; A448-L452 PolarHBondContact O-N 3.35Å; Q449-L452 PolarHBondContact O-N 3.35Å; E450-L452 VanDerWaalsContact C-N 3.31Å; E450-L452 PolarHBondContact O-N 3.05Å; L452-Y454 VanDerWaalsContact C-N 3.3Å; L452-Y454 PolarHBondContact O-N 2.74Å; L452-Q455 PolarHBondContact O-N 3.23Å; L452-T456 PolarHBondContact O-N 2.74Å; L452-T456 PolarHBondContact O-OG1 3.43Å
453	M	80.8	Confident	86.1	Confident	41 Å²	41	87.9 Å²	87.9	20%	0.202	42%	0.423	C	S	.	.	H	α-helix	trans	-61.6	-38.4	176.6	-73.1	-57.3	105.6	0	0	111.8	Q449 E450 Q455 T456 K457 Y635 T638 L639	Q449-M453 WeakPolarHBondContact O-CG 3.47Å; Q449-M453 PolarHBondContact O-N 3.05Å; E450-M453 PolarHBondContact O-N 3.04Å; M453-Q455 VanDerWaalsContact C-N 3.29Å; M453-Q455 PolarHBondContact O-N 3.18Å; M453-T456 PolarHBondContact O-N 3.11Å; M453-T456 PolarHBondContact O-OG1 3.11Å; M453-K457 VanDerWaalsContact O-CB 3.28Å; M453-K457 WeakPolarHBondContact O-CB 3.44Å; M453-K457 PolarHBondContact O-N 3.47Å; M453-Y635 HydrophobicContact CE-CE1 4.26Å; M453-Y635 HydrophobicContact CE-CE2 3.8Å; M453-T638 HydrophobicContact CE-CG2 4.49Å; M453-T638 HydrophobicContact CG-CG2 3.95Å; M453-T638 HydrophobicContact SD-CG2 3.72Å; M453-L639 HydrophobicContact SD-CD2 4.42Å
454	Y	82.6	Confident	86.2	Confident	189 Å²	189	82.2 Å²	82.2	74%	0.741	40%	0.402	S	S	*	.	H	α-helix	trans	-60.2	-38.2	177.3	-175.9	-96.9	0	0	0	112.6	E450 L452	E450-Y454 PolarHBondContact O-N 2.96Å; L452-Y454 VanDerWaalsContact C-N 3.3Å; L452-Y454 PolarHBondContact O-N 2.74Å
455	Q	83.3	Confident	86.3	Confident	139 Å²	139	76.3 Å²	76.3	65%	0.65	39%	0.389	S	S	*	.	H	α-helix	trans	-70.4	-36.8	178.4	-67.9	-176.5	-4.5	0	0	112.9	M451 L452 M453 K552	M451-Q455 PolarHBondContact O-N 3.23Å; L452-Q455 PolarHBondContact O-N 3.23Å; M453-Q455 VanDerWaalsContact C-N 3.29Å; M453-Q455 PolarHBondContact O-N 3.18Å; Q455-K552 WeakPolarHBondContact O-CE 3.14Å; Q455-K552 PolarHBondContact O-NZ 3.3Å
456	T	85.3	Confident	86.5	Confident	29 Å²	29	71 Å²	71	18%	0.178	37%	0.366	C	S	.	.	H	α-helix	trans	-82.6	-24.7	-178.8	57.6	0	0	0	0	112.6	L452 M453 K552 Y635	L452-T456 PolarHBondContact O-N 2.74Å; L452-T456 PolarHBondContact O-OG1 3.43Å; M453-T456 PolarHBondContact O-N 3.11Å; M453-T456 PolarHBondContact O-OG1 3.11Å; T456-K552 VanDerWaalsContact O-CB 3.22Å; T456-K552 WeakPolarHBondContact O-CB 3.49Å; T456-K552 WeakPolarHBondContact O-CD 3.43Å; T456-K552 WeakPolarHBondContact O-CE 3.48Å; T456-Y635 PolarHBondContact OG1-OH 3.34Å
457	K	90.4	Very high	86.7	Confident	51 Å²	51	67.8 Å²	67.8	22%	0.222	35%	0.348	C	S	.	.	S	Bend	trans	-57.8	140.1	178.3	-167.4	169.9	-176.7	176.2	0	112.1	M453 T459 K552 E642 S644 L645	M453-K457 VanDerWaalsContact O-CB 3.28Å; M453-K457 WeakPolarHBondContact O-CB 3.44Å; M453-K457 PolarHBondContact O-N 3.47Å; K457-T459 PolarHBondContact O-N 3.31Å; K457-K552 PolarHBondContact O-NZ 2.67Å; K457-E642 IonicContact NZ-OE1 2.73Å; K457-E642 PolarHBondContact NZ-OE1 3.15Å; K457-S644 WeakPolarHBondContact CE-OG 3.46Å; K457-S644 PolarHBondContact NZ-OG 3.18Å; K457-L645 HydrophobicContact CG-CD1 4.44Å; K457-L645 HydrophobicContact CG-CD2 4.41Å
458	C	91.4	Very high	86.7	Confident	2 Å²	2	65 Å²	65	1%	0.014	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-65.4	124.6	172.7	177.1	0	0	0	0	110.6	R545 Y548 T549	C458-R545 HydrophobicContact CB-CG 3.88Å; C458-R545 PolarHBondContact O-NH1 3.05Å; C458-Y548 HydrophobicContact CB-CD1 4.01Å; C458-Y548 HydrophobicContact CB-CG 4.16Å; C458-T549 WeakPolarHBondContact CB-OG1 3.3Å; C458-T549 PolarHBondContact N-OG1 3.12Å
459	T	91.3	Very high	86.7	Confident	68 Å²	68	62.8 Å²	62.8	42%	0.417	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-73.8	162.5	176.9	61.4	0	0	0	0	111.3	K457 D461 E462 M463	K457-T459 PolarHBondContact O-N 3.31Å; T459-D461 VanDerWaalsContact C-N 3.28Å; T459-D461 PolarHBondContact O-N 2.87Å; T459-E462 PolarHBondContact N-OE2 3.02Å; T459-E462 PolarHBondContact O-N 2.93Å; T459-E462 WeakPolarHBondContact OG1-CB 3.42Å; T459-E462 VanDerWaalsContact OG1-CD 3.28Å; T459-E462 WeakPolarHBondContact OG1-CG 3.47Å; T459-E462 PolarHBondContact OG1-N 2.84Å; T459-E462 PolarHBondContact OG1-OE2 3.39Å; T459-M463 WeakPolarHBondContact O-CB 3.5Å; T459-M463 PolarHBondContact O-N 3.43Å
460	S	87.8	Confident	86.7	Confident	61 Å²	61	63.9 Å²	63.9	43%	0.427	32%	0.32	S	S	.	.	H	α-helix	trans	-62.1	-35.9	178.3	-58.9	0	0	0	0	112.5	M463 Q464	S460-M463 PolarHBondContact O-N 3.39Å; S460-Q464 WeakPolarHBondContact O-CB 3.37Å; S460-Q464 VanDerWaalsContact O-CG 3.27Å; S460-Q464 WeakPolarHBondContact O-CG 3.34Å; S460-Q464 PolarHBondContact O-N 3.23Å
461	D	88.8	Confident	86.9	Confident	131 Å²	131	65.1 Å²	65.1	70%	0.701	33%	0.326	S	S	*	.	H	α-helix	trans	-68.5	-43.8	178.1	-63.5	-21.7	0	0	0	111.8	T459 M463 Q464 S465	T459-D461 VanDerWaalsContact C-N 3.28Å; T459-D461 PolarHBondContact O-N 2.87Å; D461-M463 VanDerWaalsContact C-N 3.29Å; D461-M463 PolarHBondContact O-N 2.84Å; D461-Q464 PolarHBondContact O-N 3.4Å; D461-S465 PolarHBondContact O-N 2.93Å; D461-S465 VanDerWaalsContact O-N 3.12Å
462	E	91.6	Very high	86.9	Confident	44 Å²	44	64.9 Å²	64.9	21%	0.206	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-41.4	174.7	-73.9	171.4	135.5	0	0	111.3	T459 S465 Y548 K552	T459-E462 PolarHBondContact N-OE2 3.02Å; T459-E462 PolarHBondContact O-N 2.93Å; T459-E462 WeakPolarHBondContact OG1-CB 3.42Å; T459-E462 VanDerWaalsContact OG1-CD 3.28Å; T459-E462 WeakPolarHBondContact OG1-CG 3.47Å; T459-E462 PolarHBondContact OG1-N 2.84Å; T459-E462 PolarHBondContact OG1-OE2 3.39Å; E462-S465 WeakPolarHBondContact O-CB 3.4Å; E462-S465 PolarHBondContact O-N 2.93Å; E462-S465 PolarHBondContact O-OG 3.35Å; E462-Y548 HydrophobicContact CB-CD1 4.31Å; E462-Y548 HydrophobicContact CB-CE1 3.83Å; E462-Y548 HydrophobicContact CB-CE2 4.04Å; E462-Y548 VanDerWaalsContact CD-CE1 3.43Å; E462-Y548 HydrophobicContact CG-CE1 3.83Å; E462-Y548 VanDerWaalsContact OE1-CE1 3.3Å; E462-Y548 WeakPolarHBondContact OE1-CE1 3.34Å; E462-K552 IonicContact OE1-NZ 3.06Å; E462-K552 IonicContact OE2-NZ 3.93Å; E462-K552 PolarHBondContact OE2-NZ 3.06Å
463	M	90.6	Very high	87.1	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.015	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-42.2	176.2	-178.7	-176.9	65.9	0	0	112.4	T459 S460 D461 S465 I466 L467 P477 E541 T544 R545	T459-M463 WeakPolarHBondContact O-CB 3.5Å; T459-M463 PolarHBondContact O-N 3.43Å; S460-M463 PolarHBondContact O-N 3.39Å; D461-M463 VanDerWaalsContact C-N 3.29Å; D461-M463 PolarHBondContact O-N 2.84Å; M463-S465 PolarHBondContact O-N 2.92Å; M463-I466 PolarHBondContact O-N 3.44Å; M463-I466 VanDerWaalsContact O-N 3.08Å; M463-L467 HydrophobicContact CG-CD1 3.88Å; M463-L467 PolarHBondContact O-N 2.9Å; M463-L467 HydrophobicContact SD-CD1 4.26Å; M463-P477 HydrophobicContact CE-CG 3.67Å; M463-E541 HydrophobicContact CE-CG 4.11Å; M463-E541 HydrophobicContact SD-CG 3.31Å; M463-E541 WeakPolarHBondContact SD-CG 3.31Å; M463-T544 HydrophobicContact CG-CG2 4.16Å; M463-R545 PolarHBondContact SD-NH2 3.25Å
464	Q	89.1	Confident	87.3	Confident	23 Å²	23	68.9 Å²	68.9	11%	0.107	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-25.3	178.2	-74.1	-63.8	-26.8	0	0	112.6	S460 D461 I466 N468 T469 K470 P477	S460-Q464 WeakPolarHBondContact O-CB 3.37Å; S460-Q464 VanDerWaalsContact O-CG 3.27Å; S460-Q464 WeakPolarHBondContact O-CG 3.34Å; S460-Q464 PolarHBondContact O-N 3.23Å; D461-Q464 PolarHBondContact O-N 3.4Å; Q464-I466 PolarHBondContact O-N 3.26Å; Q464-I466 VanDerWaalsContact O-N 3.13Å; Q464-N468 VanDerWaalsContact O-CA 3.26Å; Q464-N468 WeakPolarHBondContact O-CA 3.32Å; Q464-N468 PolarHBondContact O-N 3.45Å; Q464-T469 PolarHBondContact NE2-OG1 3.38Å; Q464-T469 PolarHBondContact OE1-OG1 3.46Å; Q464-K470 HydrophobicContact CG-CD 4.21Å; Q464-K470 HydrophobicContact CG-CG 4.41Å; Q464-P477 VanDerWaalsContact NE2-CG 3.33Å
465	S	91.1	Very high	87.4	Confident	59 Å²	59	61.1 Å²	61.1	41%	0.413	32%	0.316	S	S	.	.	H	α-helix	trans	-61.5	-19.2	173	78.9	0	0	0	0	114.2	D461 E462 M463 H517	D461-S465 PolarHBondContact O-N 2.93Å; D461-S465 VanDerWaalsContact O-N 3.12Å; E462-S465 WeakPolarHBondContact O-CB 3.4Å; E462-S465 PolarHBondContact O-N 2.93Å; E462-S465 PolarHBondContact O-OG 3.35Å; M463-S465 PolarHBondContact O-N 2.92Å; S465-H517 PolarHBondContact OG-CE1 3.24Å; S465-H517 VanDerWaalsContact OG-CE1 3.27Å
466	I	89.5	Confident	87.4	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-109.5	-50.4	177.8	-58.2	179.6	0	0	0	111.3	M463 Q464 L489 N492 I520 K521 I524 T544 Y548	M463-I466 PolarHBondContact O-N 3.44Å; M463-I466 VanDerWaalsContact O-N 3.08Å; Q464-I466 PolarHBondContact O-N 3.26Å; Q464-I466 VanDerWaalsContact O-N 3.13Å; I466-L489 HydrophobicContact CG2-CD1 3.75Å; I466-N492 PolarHBondContact O-ND2 2.91Å; I466-I520 HydrophobicContact CD1-CB 4.37Å; I466-I520 HydrophobicContact CD1-CG2 3.43Å; I466-I520 VanDerWaalsContact CD1-CG2 3.43Å; I466-K521 HydrophobicContact CD1-CG 4.42Å; I466-K521 HydrophobicContact CG1-CG 4.41Å; I466-K521 HydrophobicContact CG2-CG 4.25Å; I466-I524 HydrophobicContact CD1-CD1 4.42Å; I466-I524 HydrophobicContact CG2-CD1 4.15Å; I466-T544 HydrophobicContact CB-CG2 3.87Å; I466-T544 HydrophobicContact CD1-CG2 4.13Å; I466-T544 HydrophobicContact CG2-CG2 3.99Å; I466-Y548 HydrophobicContact CD1-CD2 4.01Å
467	L	86.6	Confident	87.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-80.1	-23.8	-174.3	-89.8	168.5	0	0	0	114	M463 T469 M485 L488 L489 A540 E541 T544	M463-L467 HydrophobicContact CG-CD1 3.88Å; M463-L467 PolarHBondContact O-N 2.9Å; M463-L467 HydrophobicContact SD-CD1 4.26Å; L467-T469 HydrophobicContact CB-CG2 4.32Å; L467-T469 PolarHBondContact O-N 3.45Å; L467-M485 HydrophobicContact CD2-CE 4.44Å; L467-L488 WeakPolarHBondContact O-CD2 3.46Å; L467-L488 WeakPolarHBondContact O-CG 3.47Å; L467-L489 HydrophobicContact CD2-CB 3.88Å; L467-L489 HydrophobicContact CD2-CD1 3.83Å; L467-L489 HydrophobicContact CD2-CD2 4.26Å; L467-L489 HydrophobicContact CD2-CG 4.2Å; L467-L489 HydrophobicContact CG-CD1 4.17Å; L467-A540 HydrophobicContact CD2-CB 4.28Å; L467-E541 HydrophobicContact CD1-CB 4.45Å; L467-T544 HydrophobicContact CD1-CG2 4.07Å; L467-T544 HydrophobicContact CG-CG2 4.11Å
468	N	87.3	Confident	86.7	Confident	40 Å²	40	62.6 Å²	62.6	21%	0.214	32%	0.322	C	S	.	.			trans	37.5	36.6	177.7	72.6	-2.4	0	0	0	116.6	Q464 K470 E471 K472 L488 N492	Q464-N468 VanDerWaalsContact O-CA 3.26Å; Q464-N468 WeakPolarHBondContact O-CA 3.32Å; Q464-N468 PolarHBondContact O-N 3.45Å; N468-K470 VanDerWaalsContact C-N 3.34Å; N468-K470 PolarHBondContact O-N 2.97Å; N468-E471 PolarHBondContact O-N 3.29Å; N468-K472 WeakPolarHBondContact O-CB 3.47Å; N468-K472 PolarHBondContact O-N 3.04Å; N468-K472 VanDerWaalsContact O-N 3.15Å; N468-L488 VanDerWaalsContact OD1-CD1 3.28Å; N468-L488 WeakPolarHBondContact OD1-CD1 3.45Å; N468-L488 WeakPolarHBondContact OD1-CD2 3.33Å; N468-N492 VanDerWaalsContact CG-ND2 3.25Å; N468-N492 PolarHBondContact ND2-ND2 3.24Å; N468-N492 PolarHBondContact OD1-ND2 3.37Å
469	T	85.4	Confident	86.3	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66.9	-36	-177.8	61.8	0	0	0	0	111.8	Q464 L467 E471 K472 F473 D474 A475 P477 M485 L488	Q464-T469 PolarHBondContact NE2-OG1 3.38Å; Q464-T469 PolarHBondContact OE1-OG1 3.46Å; L467-T469 HydrophobicContact CB-CG2 4.32Å; L467-T469 PolarHBondContact O-N 3.45Å; T469-E471 PolarHBondContact O-N 3.29Å; T469-K472 PolarHBondContact O-N 2.91Å; T469-F473 HydrophobicContact CG2-CD2 4.47Å; T469-F473 WeakPolarHBondContact O-CA 3.37Å; T469-F473 WeakPolarHBondContact O-CB 3.42Å; T469-F473 PolarHBondContact O-N 3.21Å; T469-D474 PolarHBondContact O-N 2.89Å; T469-A475 PolarHBondContact OG1-O 3.12Å; T469-P477 HydrophobicContact CG2-CG 4.48Å; T469-M485 HydrophobicContact CG2-CE 4.37Å; T469-L488 HydrophobicContact CG2-CD2 4.23Å
470	K	81.8	Confident	86	Confident	90 Å²	90	66.5 Å²	66.5	39%	0.391	34%	0.341	S	S	.	.	H	α-helix	trans	-61.5	-44.5	177.7	-69.3	-173.7	-179.5	-157.6	0	112.1	Q464 N468 D474 E476	Q464-K470 HydrophobicContact CG-CD 4.21Å; Q464-K470 HydrophobicContact CG-CG 4.41Å; N468-K470 VanDerWaalsContact C-N 3.34Å; N468-K470 PolarHBondContact O-N 2.97Å; K470-D474 WeakPolarHBondContact O-CA 3.36Å; K470-D474 PolarHBondContact O-N 2.71Å; K470-D474 VanDerWaalsContact O-N 3.16Å; K470-E476 WeakPolarHBondContact CE-OE1 3.36Å; K470-E476 WeakPolarHBondContact CE-OE2 3.34Å; K470-E476 IonicContact NZ-OE1 3.2Å; K470-E476 PolarHBondContact NZ-OE1 2.91Å; K470-E476 IonicContact NZ-OE2 2.77Å; K470-E476 PolarHBondContact NZ-OE2 3.42Å
471	E	84.4	Confident	86	Confident	169 Å²	169	67.8 Å²	67.8	79%	0.79	34%	0.344	S	S	*	.	H	α-helix	trans	-70.3	-37	-179.8	-172	-178.1	177.1	0	0	111.9	N468 T469	N468-E471 PolarHBondContact O-N 3.29Å; T469-E471 PolarHBondContact O-N 3.29Å
472	K	85.1	Confident	85.9	Confident	119 Å²	119	64.7 Å²	64.7	52%	0.517	33%	0.325	S	S	.	.	H	α-helix	trans	-91.5	-33.5	-171.9	-163.3	171.1	-173.3	167.3	0	114.8	N468 T469 L488	N468-K472 WeakPolarHBondContact O-CB 3.47Å; N468-K472 PolarHBondContact O-N 3.04Å; N468-K472 VanDerWaalsContact O-N 3.15Å; T469-K472 PolarHBondContact O-N 2.91Å; K472-L488 HydrophobicContact CB-CD2 4.38Å; K472-L488 HydrophobicContact CD-CD1 3.27Å; K472-L488 HydrophobicContact CD-CD2 3.96Å; K472-L488 HydrophobicContact CD-CG 4.22Å; K472-L488 VanDerWaalsContact NZ-CD1 3.34Å
473	F	84.7	Confident	85.8	Confident	72 Å²	72	69.8 Å²	69.8	32%	0.316	35%	0.346	S	S	.	.	H	α-helix	trans	-122.2	-5.7	-172.3	-56.6	-51.2	0	0	0	113.7	T469 A475 E484 L488	T469-F473 HydrophobicContact CG2-CD2 4.47Å; T469-F473 WeakPolarHBondContact O-CA 3.37Å; T469-F473 WeakPolarHBondContact O-CB 3.42Å; T469-F473 PolarHBondContact O-N 3.21Å; F473-A475 HydrophobicContact CB-CB 4.37Å; F473-A475 PolarHBondContact O-N 2.72Å; F473-E484 HydrophobicContact CZ-CB 4.24Å; F473-L488 HydrophobicContact CD2-CD2 4.05Å; F473-L488 HydrophobicContact CE2-CB 4.39Å; F473-L488 HydrophobicContact CE2-CD2 3.4Å; F473-L488 HydrophobicContact CE2-CG 4.5Å; F473-L488 HydrophobicContact CZ-CD2 4.06Å
474	D	84.8	Confident	85.7	Confident	157 Å²	157	74.6 Å²	74.6	84%	0.84	37%	0.369	S	S	*	.	S	Bend	trans	51.4	34.9	-173.8	-161.1	32.9	0	0	0	112.9	T469 K470	T469-D474 PolarHBondContact O-N 2.89Å; K470-D474 WeakPolarHBondContact O-CA 3.36Å; K470-D474 PolarHBondContact O-N 2.71Å; K470-D474 VanDerWaalsContact O-N 3.16Å
475	A	84.3	Confident	85.6	Confident	26 Å²	26	73.5 Å²	73.5	22%	0.215	36%	0.363	C	S	.	.	S	Bend	trans	-138.8	150.4	-175.7	0	0	0	0	0	111.1	T469 F473 D479	T469-A475 PolarHBondContact OG1-O 3.12Å; F473-A475 HydrophobicContact CB-CB 4.37Å; F473-A475 PolarHBondContact O-N 2.72Å; A475-D479 HydrophobicContact CB-CB 4.39Å
476	E	83.1	Confident	85.7	Confident	82 Å²	82	72 Å²	72	38%	0.383	35%	0.349	S	S	.	.			trans	-68.6	152.9	170.1	-66.4	-63.7	164.7	0	0	110	K470 E478 D479 C480	K470-E476 WeakPolarHBondContact CE-OE1 3.36Å; K470-E476 WeakPolarHBondContact CE-OE2 3.34Å; K470-E476 IonicContact NZ-OE1 3.2Å; K470-E476 PolarHBondContact NZ-OE1 2.91Å; K470-E476 IonicContact NZ-OE2 2.77Å; K470-E476 PolarHBondContact NZ-OE2 3.42Å; E476-E478 PolarHBondContact O-N 3.2Å; E476-E478 VanDerWaalsContact O-N 3.15Å; E476-D479 PolarHBondContact O-N 2.97Å; E476-C480 PolarHBondContact O-SG 3Å
477	P	80.6	Confident	85.7	Confident	4 Å²	4	79.1 Å²	79.1	3%	0.026	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-54.6	-32.8	-179.6	-28	36.4	0	0	0	114.2	M463 Q464 T469 D479 C480 M485 E541	M463-P477 HydrophobicContact CE-CG 3.67Å; Q464-P477 VanDerWaalsContact NE2-CG 3.33Å; T469-P477 HydrophobicContact CG2-CG 4.48Å; P477-D479 VanDerWaalsContact C-N 3.28Å; P477-D479 PolarHBondContact O-N 3.2Å; P477-C480 PolarHBondContact O-N 3.48Å; P477-M485 HydrophobicContact CB-CE 3.82Å; P477-E541 HydrophobicContact CB-CB 4.4Å; P477-E541 HydrophobicContact CB-CG 4Å
478	E	80.9	Confident	85.9	Confident	164 Å²	164	79.2 Å²	79.2	77%	0.766	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-66.2	-29.5	179.6	-62.4	177.4	-165.3	0	0	112.6	E476	E476-E478 PolarHBondContact O-N 3.2Å; E476-E478 VanDerWaalsContact O-N 3.15Å
479	D	83.8	Confident	86.2	Confident	132 Å²	132	77.3 Å²	77.3	71%	0.706	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-90.8	-5	-177.6	-62.6	-48.7	0	0	0	113.1	A475 E476 P477	A475-D479 HydrophobicContact CB-CB 4.39Å; E476-D479 PolarHBondContact O-N 2.97Å; P477-D479 VanDerWaalsContact C-N 3.28Å; P477-D479 PolarHBondContact O-N 3.2Å
480	C	84.4	Confident	86.5	Confident	19 Å²	19	82.1 Å²	82.1	13%	0.128	39%	0.388	C	S	.	.	S	Bend	trans	-88.9	145.5	-176.7	-65.9	0	0	0	0	112.5	E476 P477 Q482 M485	E476-C480 PolarHBondContact O-SG 3Å; P477-C480 PolarHBondContact O-N 3.48Å; C480-Q482 PolarHBondContact O-N 3.34Å; C480-M485 HydrophobicContact CB-CG 3.63Å; C480-M485 HydrophobicContact CB-SD 3.77Å
481	D	88	Confident	86.9	Confident	89 Å²	89	81.3 Å²	81.3	48%	0.476	40%	0.399	S	S	.	.			trans	-67.6	128.1	171.4	179.8	-89.6	0	0	0	111	K483 E484 M485	D481-K483 VanDerWaalsContact C-N 3.26Å; D481-K483 PolarHBondContact O-N 3.49Å; D481-K483 VanDerWaalsContact O-N 3.17Å; D481-K483 WeakPolarHBondContact OD1-CA 3.45Å; D481-K483 VanDerWaalsContact OD1-CB 3.22Å; D481-K483 WeakPolarHBondContact OD1-CB 3.42Å; D481-K483 PolarHBondContact OD1-N 3.16Å; D481-E484 HydrophobicContact CB-CB 4.48Å; D481-E484 HydrophobicContact CB-CG 4.25Å; D481-E484 PolarHBondContact O-N 3.41Å; D481-E484 PolarHBondContact OD1-N 2.83Å; D481-M485 WeakPolarHBondContact O-CG 3.45Å; D481-M485 PolarHBondContact O-N 3.5Å
482	Q	87.4	Confident	87.3	Confident	65 Å²	65	75.2 Å²	75.2	30%	0.304	37%	0.371	S	S	.	.	H	α-helix	trans	-58.7	-32.1	-176.3	-76.8	-66.6	-25.4	0	0	113.8	C480 M485 Y486 A540	C480-Q482 PolarHBondContact O-N 3.34Å; Q482-M485 PolarHBondContact O-N 2.64Å; Q482-Y486 HydrophobicContact CB-CE2 4.48Å; Q482-Y486 WeakPolarHBondContact O-CD2 3.49Å; Q482-Y486 PolarHBondContact O-N 2.9Å; Q482-A540 VanDerWaalsContact OE1-N 3.16Å
483	K	88.7	Confident	87.6	Confident	152 Å²	152	69.8 Å²	69.8	66%	0.661	35%	0.348	S	S	*	.	H	α-helix	trans	-71.4	-35.2	178.3	-61.9	175.8	177.2	171.2	0	111.3	D481 K487	D481-K483 VanDerWaalsContact C-N 3.26Å; D481-K483 PolarHBondContact O-N 3.49Å; D481-K483 VanDerWaalsContact O-N 3.17Å; D481-K483 WeakPolarHBondContact OD1-CA 3.45Å; D481-K483 VanDerWaalsContact OD1-CB 3.22Å; D481-K483 WeakPolarHBondContact OD1-CB 3.42Å; D481-K483 PolarHBondContact OD1-N 3.16Å; K483-K487 WeakPolarHBondContact O-CG 3.47Å; K483-K487 PolarHBondContact O-N 2.86Å
484	E	88.5	Confident	87.9	Confident	103 Å²	103	67.7 Å²	67.7	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-69.3	-39	173.3	-61.3	-165	145.3	0	0	110.9	F473 D481 K487 L488	F473-E484 HydrophobicContact CZ-CB 4.24Å; D481-E484 HydrophobicContact CB-CB 4.48Å; D481-E484 HydrophobicContact CB-CG 4.25Å; D481-E484 PolarHBondContact O-N 3.41Å; D481-E484 PolarHBondContact OD1-N 2.83Å; E484-K487 PolarHBondContact O-N 3.13Å; E484-L488 WeakPolarHBondContact O-CB 3.35Å; E484-L488 PolarHBondContact O-N 3.24Å
485	M	88.2	Confident	88.2	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-41.1	173.3	-64.9	-178.5	80.1	0	0	112.8	L467 T469 P477 C480 D481 Q482 K487 L488 L489 A540 E541	L467-M485 HydrophobicContact CD2-CE 4.44Å; T469-M485 HydrophobicContact CG2-CE 4.37Å; P477-M485 HydrophobicContact CB-CE 3.82Å; C480-M485 HydrophobicContact CB-CG 3.63Å; C480-M485 HydrophobicContact CB-SD 3.77Å; D481-M485 WeakPolarHBondContact O-CG 3.45Å; D481-M485 PolarHBondContact O-N 3.5Å; Q482-M485 PolarHBondContact O-N 2.64Å; M485-K487 VanDerWaalsContact C-N 3.35Å; M485-K487 PolarHBondContact O-N 3.3Å; M485-L488 PolarHBondContact O-N 3.41Å; M485-L489 VanDerWaalsContact O-CB 3.3Å; M485-L489 WeakPolarHBondContact O-CB 3.47Å; M485-L489 PolarHBondContact O-N 2.9Å; M485-A540 HydrophobicContact CB-CB 3.77Å; M485-A540 HydrophobicContact CE-CB 4.14Å; M485-E541 HydrophobicContact CE-CB 4.27Å
486	Y	92.4	Very high	88.6	Confident	27 Å²	27	61.9 Å²	61.9	11%	0.106	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-43.5	175.5	-63.8	-28	0	0	0	112	Q482 L488 R490 V533 E534 V538 A540	Q482-Y486 HydrophobicContact CB-CE2 4.48Å; Q482-Y486 WeakPolarHBondContact O-CD2 3.49Å; Q482-Y486 PolarHBondContact O-N 2.9Å; Y486-L488 VanDerWaalsContact C-N 3.32Å; Y486-L488 PolarHBondContact O-N 3.29Å; Y486-R490 WeakPolarHBondContact O-CB 3.38Å; Y486-R490 PolarHBondContact O-N 3.2Å; Y486-V533 HydrophobicContact CD1-CG1 4.03Å; Y486-V533 HydrophobicContact CE1-CG1 3.82Å; Y486-E534 HydrophobicContact CD2-CG 4.24Å; Y486-V538 VanDerWaalsContact CE1-O 3.26Å; Y486-V538 WeakPolarHBondContact CE1-O 3.4Å; Y486-V538 PolarHBondContact OH-O 2.88Å; Y486-V538 VanDerWaalsContact OH-O 3.08Å; Y486-A540 HydrophobicContact CD1-CB 3.88Å; Y486-A540 HydrophobicContact CE1-CB 4.02Å
487	K	90.3	Very high	88.9	Confident	152 Å²	152	63 Å²	63	66%	0.661	32%	0.319	S	S	*	.	H	α-helix	trans	-62.5	-42.2	176.1	-70.5	174.5	-175.2	174.9	0	111.2	K483 E484 M485 A491	K483-K487 WeakPolarHBondContact O-CG 3.47Å; K483-K487 PolarHBondContact O-N 2.86Å; E484-K487 PolarHBondContact O-N 3.13Å; M485-K487 VanDerWaalsContact C-N 3.35Å; M485-K487 PolarHBondContact O-N 3.3Å; K487-A491 VanDerWaalsContact O-CB 3.26Å; K487-A491 WeakPolarHBondContact O-CB 3.22Å; K487-A491 PolarHBondContact O-N 2.94Å
488	L	90.8	Very high	89.3	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-63.8	-55	178	-178.9	52.1	0	0	0	111.7	L467 N468 T469 K472 F473 E484 M485 Y486 R490 A491 N492	L467-L488 WeakPolarHBondContact O-CD2 3.46Å; L467-L488 WeakPolarHBondContact O-CG 3.47Å; N468-L488 VanDerWaalsContact OD1-CD1 3.28Å; N468-L488 WeakPolarHBondContact OD1-CD1 3.45Å; N468-L488 WeakPolarHBondContact OD1-CD2 3.33Å; T469-L488 HydrophobicContact CG2-CD2 4.23Å; K472-L488 HydrophobicContact CB-CD2 4.38Å; K472-L488 HydrophobicContact CD-CD1 3.27Å; K472-L488 HydrophobicContact CD-CD2 3.96Å; K472-L488 HydrophobicContact CD-CG 4.22Å; K472-L488 VanDerWaalsContact NZ-CD1 3.34Å; F473-L488 HydrophobicContact CD2-CD2 4.05Å; F473-L488 HydrophobicContact CE2-CB 4.39Å; F473-L488 HydrophobicContact CE2-CD2 3.4Å; F473-L488 HydrophobicContact CE2-CG 4.5Å; F473-L488 HydrophobicContact CZ-CD2 4.06Å; E484-L488 WeakPolarHBondContact O-CB 3.35Å; E484-L488 PolarHBondContact O-N 3.24Å; M485-L488 PolarHBondContact O-N 3.41Å; Y486-L488 VanDerWaalsContact C-N 3.32Å; Y486-L488 PolarHBondContact O-N 3.29Å; L488-R490 VanDerWaalsContact C-N 3.3Å; L488-R490 PolarHBondContact O-N 3.28Å; L488-A491 PolarHBondContact O-N 3.34Å; L488-A491 VanDerWaalsContact O-N 3.08Å; L488-N492 VanDerWaalsContact O-CG 3.28Å; L488-N492 PolarHBondContact O-N 2.95Å
489	L	92.3	Very high	89.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.3	-43.8	-179.1	-175.8	57.5	0	0	0	111.3	I466 L467 M485 A491 N492 C493 I524 F528 A540	I466-L489 HydrophobicContact CG2-CD1 3.75Å; L467-L489 HydrophobicContact CD2-CB 3.88Å; L467-L489 HydrophobicContact CD2-CD1 3.83Å; L467-L489 HydrophobicContact CD2-CD2 4.26Å; L467-L489 HydrophobicContact CD2-CG 4.2Å; L467-L489 HydrophobicContact CG-CD1 4.17Å; M485-L489 VanDerWaalsContact O-CB 3.3Å; M485-L489 WeakPolarHBondContact O-CB 3.47Å; M485-L489 PolarHBondContact O-N 2.9Å; L489-A491 VanDerWaalsContact C-N 3.33Å; L489-A491 PolarHBondContact O-N 2.91Å; L489-N492 PolarHBondContact O-N 3.3Å; L489-C493 PolarHBondContact O-N 3.22Å; L489-C493 VanDerWaalsContact O-N 3.09Å; L489-C493 PolarHBondContact O-SG 3.11Å; L489-I524 HydrophobicContact CD1-CD1 4.36Å; L489-I524 HydrophobicContact CD1-CG2 4.15Å; L489-I524 HydrophobicContact CD2-CG2 3.86Å; L489-I524 HydrophobicContact CG-CG2 3.92Å; L489-F528 HydrophobicContact CB-CE2 4.38Å; L489-F528 HydrophobicContact CB-CZ 4.29Å; L489-F528 HydrophobicContact CD2-CE2 3.82Å; L489-F528 HydrophobicContact CD2-CZ 3.98Å; L489-F528 HydrophobicContact CG-CE2 3.87Å; L489-F528 HydrophobicContact CG-CZ 4.19Å; L489-A540 HydrophobicContact CD2-CB 4.01Å
490	R	92.4	Very high	89.9	Confident	100 Å²	100	57.7 Å²	57.7	38%	0.377	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-34.9	177.5	-171.1	174.8	-173.4	171.8	5	112.8	Y486 L488 F528 E529	Y486-R490 WeakPolarHBondContact O-CB 3.38Å; Y486-R490 PolarHBondContact O-N 3.2Å; L488-R490 VanDerWaalsContact C-N 3.3Å; L488-R490 PolarHBondContact O-N 3.28Å; R490-F528 HydrophobicContact CB-CE1 4.43Å; R490-F528 HydrophobicContact CB-CZ 4.41Å; R490-E529 IonicContact NH2-OE1 3.03Å
491	A	90.8	Very high	89.8	Confident	74 Å²	74	59.9 Å²	59.9	61%	0.612	32%	0.322	S	S	*	.	H	α-helix	trans	-73.4	-33.9	177.1	0	0	0	0	0	112.6	K487 L488 L489 C493	K487-A491 VanDerWaalsContact O-CB 3.26Å; K487-A491 WeakPolarHBondContact O-CB 3.22Å; K487-A491 PolarHBondContact O-N 2.94Å; L488-A491 PolarHBondContact O-N 3.34Å; L488-A491 VanDerWaalsContact O-N 3.08Å; L489-A491 VanDerWaalsContact C-N 3.33Å; L489-A491 PolarHBondContact O-N 2.91Å; A491-C493 VanDerWaalsContact C-N 3.33Å
492	N	91.2	Very high	90	Very high	40 Å²	40	58.1 Å²	58.1	21%	0.214	31%	0.311	C	S	.	.	H	α-helix	trans	-77.2	-20.7	177.9	-65.9	-11.9	0	0	0	113	I466 N468 L488 L489	I466-N492 PolarHBondContact O-ND2 2.91Å; N468-N492 VanDerWaalsContact CG-ND2 3.25Å; N468-N492 PolarHBondContact ND2-ND2 3.24Å; N468-N492 PolarHBondContact OD1-ND2 3.37Å; L488-N492 VanDerWaalsContact O-CG 3.28Å; L488-N492 PolarHBondContact O-N 2.95Å; L489-N492 PolarHBondContact O-N 3.3Å
493	C	92	Very high	90.2	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.034	31%	0.311	C	S	.	.	S	Bend	trans	-83.8	139.6	173.3	-64.3	0	0	0	0	110.6	L489 A491 R525	L489-C493 PolarHBondContact O-N 3.22Å; L489-C493 VanDerWaalsContact O-N 3.09Å; L489-C493 PolarHBondContact O-SG 3.11Å; A491-C493 VanDerWaalsContact C-N 3.33Å; C493-R525 HydrophobicContact CB-CB 4.3Å
494	P	91.4	Very high	90.5	Very high	29 Å²	29	50.5 Å²	50.5	19%	0.188	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-60.4	150.7	177.7	27.4	-33.4	0	0	0	110.7	V499 R525	P494-V499 HydrophobicContact CB-CG2 4.12Å; P494-V499 HydrophobicContact CG-CB 4.41Å; P494-V499 HydrophobicContact CG-CG1 4.03Å; P494-V499 HydrophobicContact CG-CG2 3.9Å; P494-R525 WeakPolarHBondContact O-CG 3.38Å; P494-R525 PolarHBondContact O-NH1 2.95Å
495	P	91.7	Very high	90.8	Very high	58 Å²	58	49.2 Å²	49.2	38%	0.377	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-65.8	146.3	175.3	33.5	-37.2	0	0	0	110.3	D497 N498	P495-D497 WeakPolarHBondContact CB-OD1 3.42Å; P495-D497 PolarHBondContact O-N 3.15Å; P495-N498 HydrophobicContact CG-CB 4.33Å; P495-N498 CarbonylContact O-C 3.32Å; P495-N498 VanDerWaalsContact O-C 3.27Å; P495-N498 PolarHBondContact O-N 2.9Å; P495-N498 VanDerWaalsContact O-N 3.07Å; P495-N498 VanDerWaalsContact O-O 3.14Å
496	A	91.6	Very high	91.1	Very high	3 Å²	3	53.5 Å²	53.5	3%	0.025	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.4	-169.7	0	0	0	0	0	114	N503 L504 Y505 R525 E529	A496-N503 PolarHBondContact O-OD1 3Å; A496-L504 HydrophobicContact CB-CD1 4.25Å; A496-L504 WeakPolarHBondContact O-CB 3.46Å; A496-L504 PolarHBondContact O-N 3.23Å; A496-Y505 HydrophobicContact CB-CD2 4.41Å; A496-Y505 HydrophobicContact CB-CE2 3.6Å; A496-R525 HydrophobicContact CB-CG 4.11Å; A496-E529 HydrophobicContact CB-CG 3.8Å
497	D	89.6	Confident	91.2	Very high	104 Å²	104	52.9 Å²	52.9	56%	0.556	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-13	176	59.9	-17.9	0	0	0	113.6	P495	P495-D497 WeakPolarHBondContact CB-OD1 3.42Å; P495-D497 PolarHBondContact O-N 3.15Å
498	N	89.8	Confident	91.3	Very high	87 Å²	87	46.8 Å²	46.8	47%	0.465	27%	0.271	S	S	.	.			trans	-150.6	94.2	179.9	-175.1	16.1	0	0	0	112.2	P495 G501 E502	P495-N498 HydrophobicContact CG-CB 4.33Å; P495-N498 CarbonylContact O-C 3.32Å; P495-N498 VanDerWaalsContact O-C 3.27Å; P495-N498 PolarHBondContact O-N 2.9Å; P495-N498 VanDerWaalsContact O-N 3.07Å; P495-N498 VanDerWaalsContact O-O 3.14Å; N498-G501 WeakPolarHBondContact OD1-CA 3.27Å; N498-G501 PolarHBondContact OD1-N 3.29Å; N498-E502 CarbonylContact C-O 3.56Å; N498-E502 WeakPolarHBondContact CA-O 3.26Å
499	V	90.6	Very high	91.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-110.4	96.8	170.1	-177.1	0	0	0	0	107.4	P494 G501 E502 L504 V514 A522	P494-V499 HydrophobicContact CB-CG2 4.12Å; P494-V499 HydrophobicContact CG-CB 4.41Å; P494-V499 HydrophobicContact CG-CG1 4.03Å; P494-V499 HydrophobicContact CG-CG2 3.9Å; V499-G501 PolarHBondContact O-N 3.21Å; V499-E502 PolarHBondContact N-O 3.2Å; V499-E502 WeakPolarHBondContact O-CB 3.34Å; V499-E502 PolarHBondContact O-N 3.1Å; V499-L504 HydrophobicContact CG2-CD1 3.89Å; V499-L504 HydrophobicContact CG2-CD2 3.97Å; V499-L504 HydrophobicContact CG2-CG 3.72Å; V499-V514 HydrophobicContact CG1-CG1 4.13Å; V499-V514 HydrophobicContact CG1-CG2 4.32Å; V499-A522 HydrophobicContact CG1-CB 4.09Å; V499-A522 HydrophobicContact CG2-CB 4.42Å
500	D	85.8	Confident	91.6	Very high	102 Å²	102	47.3 Å²	47.3	55%	0.545	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	38.2	-176.7	-60.6	-26.6	0	0	0	114.1	V514	D500-V514 HydrophobicContact CB-CG2 4.33Å
501	G	83.3	Confident	91.7	Very high	64 Å²	64	42.9 Å²	42.9	66%	0.66	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	-3.3	-179.3	0	0	0	0	0	115.1	N498 V499	N498-G501 WeakPolarHBondContact OD1-CA 3.27Å; N498-G501 PolarHBondContact OD1-N 3.29Å; V499-G501 PolarHBondContact O-N 3.21Å
502	E	90.5	Very high	91.8	Very high	52 Å²	52	42.6 Å²	42.6	24%	0.243	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-108.6	152.8	-179.7	-65.1	-73	150.8	0	0	111.9	N498 V499 F509 S510 P513	N498-E502 CarbonylContact C-O 3.56Å; N498-E502 WeakPolarHBondContact CA-O 3.26Å; V499-E502 PolarHBondContact N-O 3.2Å; V499-E502 WeakPolarHBondContact O-CB 3.34Å; V499-E502 PolarHBondContact O-N 3.1Å; E502-F509 HydrophobicContact CB-CD2 3.6Å; E502-F509 HydrophobicContact CB-CE2 3.59Å; E502-F509 HydrophobicContact CG-CD2 4.44Å; E502-F509 HydrophobicContact CG-CE2 4.39Å; E502-S510 PolarHBondContact OE2-N 2.85Å; E502-P513 HydrophobicContact CG-CG 3.98Å
503	N	92.8	Very high	91.9	Very high	58 Å²	58	44.1 Å²	44.1	31%	0.31	26%	0.256	S	S	.	.			trans	-113.5	120.9	-176.9	-176.3	-25.1	0	0	0	111	A496 Y505 N506	A496-N503 PolarHBondContact O-OD1 3Å; N503-Y505 PolarHBondContact O-N 2.92Å; N503-Y505 WeakPolarHBondContact OD1-CB 3.41Å; N503-Y505 WeakPolarHBondContact OD1-CD2 3.33Å; N503-Y505 PolarHBondContact OD1-N 3.49Å; N503-N506 HydrophobicContact CB-CB 4.33Å; N503-N506 WeakPolarHBondContact O-CB 3.3Å; N503-N506 PolarHBondContact O-N 2.86Å
504	L	93.8	Very high	92	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-13.8	-177.8	-59.7	-178.8	0	0	0	113.9	A496 V499 N506 F509 A522 R525 M526 H570 F573 C574	A496-L504 HydrophobicContact CB-CD1 4.25Å; A496-L504 WeakPolarHBondContact O-CB 3.46Å; A496-L504 PolarHBondContact O-N 3.23Å; V499-L504 HydrophobicContact CG2-CD1 3.89Å; V499-L504 HydrophobicContact CG2-CD2 3.97Å; V499-L504 HydrophobicContact CG2-CG 3.72Å; L504-N506 VanDerWaalsContact C-N 3.33Å; L504-F509 HydrophobicContact CD2-CD2 4.07Å; L504-F509 HydrophobicContact CD2-CE2 3.71Å; L504-F509 HydrophobicContact CD2-CZ 4.23Å; L504-A522 HydrophobicContact CD1-CB 4.27Å; L504-A522 HydrophobicContact CD2-CB 4.25Å; L504-R525 HydrophobicContact CD1-CB 4.49Å; L504-R525 HydrophobicContact CD1-CG 4.4Å; L504-M526 HydrophobicContact CD1-CE 4.34Å; L504-M526 HydrophobicContact CD1-CG 4.39Å; L504-M526 HydrophobicContact CD2-CE 4.02Å; L504-H570 PolarHBondContact O-NE2 3.04Å; L504-H570 VanDerWaalsContact O-NE2 3.13Å; L504-F573 HydrophobicContact CB-CE1 4.32Å; L504-F573 WeakPolarHBondContact O-CE1 3.3Å; L504-C574 PolarHBondContact O-SG 3.21Å
505	Y	95.7	Very high	92.2	Very high	76 Å²	76	46.6 Å²	46.6	30%	0.298	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-8.3	173.8	-62.6	-74.5	0	0	0	112.6	A496 N503 E529 F573 Q577 T578	A496-Y505 HydrophobicContact CB-CD2 4.41Å; A496-Y505 HydrophobicContact CB-CE2 3.6Å; N503-Y505 PolarHBondContact O-N 2.92Å; N503-Y505 WeakPolarHBondContact OD1-CB 3.41Å; N503-Y505 WeakPolarHBondContact OD1-CD2 3.33Å; N503-Y505 PolarHBondContact OD1-N 3.49Å; Y505-E529 VanDerWaalsContact OH-CD 3.27Å; Y505-E529 WeakPolarHBondContact OH-CG 3.32Å; Y505-E529 PolarHBondContact OH-OE2 3.21Å; Y505-F573 HydrophobicContact CD1-CE1 4.02Å; Y505-F573 HydrophobicContact CD1-CZ 4.18Å; Y505-F573 HydrophobicContact CE1-CE1 4.03Å; Y505-F573 AromaticContact CE1-CZ 3.72Å; Y505-F573 HydrophobicContact CE1-CZ 3.72Å; Y505-Q577 HydrophobicContact CD1-CB 4.43Å; Y505-Q577 HydrophobicContact CE1-CB 4.49Å; Y505-T578 WeakPolarHBondContact O-CB 3.28Å; Y505-T578 WeakPolarHBondContact O-CG2 3.22Å; Y505-T578 PolarHBondContact O-OG1 3.46Å
506	N	94.3	Very high	92.3	Very high	90 Å²	90	47 Å²	47	48%	0.481	27%	0.268	S	S	.	.			trans	-95.8	127.7	-176.6	-171.2	4	0	0	0	111.7	N503 L504 G508 F509 H570	N503-N506 HydrophobicContact CB-CB 4.33Å; N503-N506 WeakPolarHBondContact O-CB 3.3Å; N503-N506 PolarHBondContact O-N 2.86Å; L504-N506 VanDerWaalsContact C-N 3.33Å; N506-G508 PolarHBondContact O-N 2.86Å; N506-G508 VanDerWaalsContact O-N 3.14Å; N506-G508 PolarHBondContact OD1-N 3.23Å; N506-F509 WeakPolarHBondContact O-CB 3.23Å; N506-F509 PolarHBondContact O-N 3.27Å; N506-F509 VanDerWaalsContact O-N 3.11Å; N506-H570 PolarHBondContact O-CE1 3.23Å
507	F	94.1	Very high	92.4	Very high	14 Å²	14	49.8 Å²	49.8	6%	0.061	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.9	172.6	-67.9	-67.5	0	0	0	113	F509 C574 L575 T578 K727 M799	F507-F509 VanDerWaalsContact C-N 3.27Å; F507-F509 PolarHBondContact O-N 2.86Å; F507-C574 HydrophobicContact CD1-CB 3.7Å; F507-C574 HydrophobicContact CE1-CB 3.43Å; F507-C574 VanDerWaalsContact CE1-CB 3.43Å; F507-C574 HydrophobicContact CZ-CB 4.12Å; F507-L575 HydrophobicContact CE1-CD2 3.91Å; F507-L575 HydrophobicContact CE1-CG 4.28Å; F507-L575 HydrophobicContact CZ-CD2 4.17Å; F507-T578 HydrophobicContact CE2-CG2 3.96Å; F507-K727 PolarHBondContact O-NZ 3.11Å; F507-M799 HydrophobicContact CB-CG 3.96Å; F507-M799 HydrophobicContact CD1-CE 4.44Å; F507-M799 HydrophobicContact CD1-CG 3.79Å; F507-M799 HydrophobicContact CD1-SD 3.44Å; F507-M799 WeakPolarHBondContact CD1-SD 3.48Å; F507-M799 HydrophobicContact CD2-CG 4.23Å; F507-M799 HydrophobicContact CE1-CG 4.33Å; F507-M799 HydrophobicContact CE1-SD 3.59Å; F507-M799 VanDerWaalsContact CE1-SD 3.59Å; F507-M799 HydrophobicContact CG-CG 3.74Å; F507-M799 HydrophobicContact CG-SD 4.05Å; F507-M799 HydrophobicContact CZ-SD 4.3Å
508	G	92.6	Very high	92.7	Very high	23 Å²	23	45.3 Å²	45.3	24%	0.237	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	1.7	177.3	0	0	0	0	0	116.3	N506 S510	N506-G508 PolarHBondContact O-N 2.86Å; N506-G508 VanDerWaalsContact O-N 3.14Å; N506-G508 PolarHBondContact OD1-N 3.23Å; G508-S510 PolarHBondContact O-N 2.87Å
509	F	94.9	Very high	93	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.237	C	C	.	.			trans	-47.7	132.9	179.2	174.7	-91.6	0	0	0	112.9	E502 L504 N506 F507 D511 V514 L519 F566 H570 K727	E502-F509 HydrophobicContact CB-CD2 3.6Å; E502-F509 HydrophobicContact CB-CE2 3.59Å; E502-F509 HydrophobicContact CG-CD2 4.44Å; E502-F509 HydrophobicContact CG-CE2 4.39Å; L504-F509 HydrophobicContact CD2-CD2 4.07Å; L504-F509 HydrophobicContact CD2-CE2 3.71Å; L504-F509 HydrophobicContact CD2-CZ 4.23Å; N506-F509 WeakPolarHBondContact O-CB 3.23Å; N506-F509 PolarHBondContact O-N 3.27Å; N506-F509 VanDerWaalsContact O-N 3.11Å; F507-F509 VanDerWaalsContact C-N 3.27Å; F507-F509 PolarHBondContact O-N 2.86Å; F509-D511 HydrophobicContact CE1-CB 3.85Å; F509-D511 HydrophobicContact CZ-CB 4.47Å; F509-V514 HydrophobicContact CZ-CG2 4.29Å; F509-L519 HydrophobicContact CZ-CD2 4.27Å; F509-F566 HydrophobicContact CE1-CD1 4.41Å; F509-F566 AromaticContact CE1-CE1 3.67Å; F509-F566 HydrophobicContact CE1-CE1 3.67Å; F509-F566 AromaticContact CZ-CE1 3.96Å; F509-F566 HydrophobicContact CZ-CE1 3.96Å; F509-H570 WeakPolarHBondContact CB-CE1 3.34Å; F509-H570 AromaticContact CG-CE1 3.78Å; F509-H570 AromaticContact CG-NE2 3.63Å; F509-K727 PolarHBondContact O-NZ 3.39Å
510	S	94.6	Very high	93.3	Very high	14 Å²	14	41.2 Å²	41.2	10%	0.098	24%	0.237	C	C	.	.			trans	-111.1	129.2	170.7	-170.2	0	0	0	0	111.5	E502 G508 P513 V731	E502-S510 PolarHBondContact OE2-N 2.85Å; G508-S510 PolarHBondContact O-N 2.87Å; S510-P513 WeakPolarHBondContact O-CD 3.36Å; S510-V731 WeakPolarHBondContact OG-CG2 3.47Å
511	D	94.3	Very high	93.8	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	22%	0.22	C	C	.	.	S	Bend	trans	-84.8	-15.6	176.2	65.4	-66.1	0	0	0	113.4	F509 P513 V514 L519 R563 N567	F509-D511 HydrophobicContact CE1-CB 3.85Å; F509-D511 HydrophobicContact CZ-CB 4.47Å; D511-P513 VanDerWaalsContact C-CD 3.46Å; D511-V514 PolarHBondContact O-N 2.86Å; D511-V514 VanDerWaalsContact O-O 3.09Å; D511-L519 HydrophobicContact CB-CD1 4.22Å; D511-L519 HydrophobicContact CB-CD2 4.03Å; D511-R563 VanDerWaalsContact C-NH1 3.3Å; D511-R563 PolarHBondContact O-NH1 2.92Å; D511-R563 WeakPolarHBondContact OD2-CB 3.33Å; D511-R563 VanDerWaalsContact OD2-CD 3.26Å; D511-R563 WeakPolarHBondContact OD2-CD 3.27Å; D511-R563 WeakPolarHBondContact OD2-CG 3.13Å; D511-R563 IonicContact OD2-CZ 3.25Å; D511-R563 IonicContact OD2-NE 2.92Å; D511-R563 IonicContact OD2-NH1 2.77Å; D511-R563 PolarHBondContact OD2-NH1 3.4Å; D511-N567 PolarHBondContact OD1-ND2 3.41Å
512	F	93.3	Very high	94.4	Very high	67 Å²	67	35.4 Å²	35.4	29%	0.294	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-41.2	-177.6	-70.6	-51.3	0	0	0	115.9	V514 V731 K734 V735 M738	F512-V514 PolarHBondContact O-N 3.37Å; F512-V731 HydrophobicContact CD2-CG1 4.27Å; F512-V731 HydrophobicContact CD2-CG2 4.38Å; F512-V731 HydrophobicContact CE2-CB 4.3Å; F512-V731 HydrophobicContact CE2-CG1 3.8Å; F512-K734 HydrophobicContact CD2-CD 4.42Å; F512-K734 HydrophobicContact CE2-CB 4.13Å; F512-K734 HydrophobicContact CE2-CD 3.92Å; F512-K734 HydrophobicContact CZ-CB 3.94Å; F512-K734 HydrophobicContact CZ-CD 4.19Å; F512-V735 HydrophobicContact CZ-CG2 4.25Å; F512-M738 HydrophobicContact CE1-CE 4.07Å; F512-M738 HydrophobicContact CZ-CE 3.83Å
513	P	93.1	Very high	94.7	Very high	72 Å²	72	33 Å²	33	47%	0.468	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-15.8	176.7	28.9	-34.2	0	0	0	113.1	E502 S510 D511	E502-P513 HydrophobicContact CG-CG 3.98Å; S510-P513 WeakPolarHBondContact O-CD 3.36Å; D511-P513 VanDerWaalsContact C-CD 3.46Å
514	V	94.4	Very high	95	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	16%	0.162	C	C	.	.	S	Bend	trans	-94.5	135	-174.5	-166.1	0	0	0	0	110.3	V499 D500 F509 D511 F512 L519 R563	V499-V514 HydrophobicContact CG1-CG1 4.13Å; V499-V514 HydrophobicContact CG1-CG2 4.32Å; D500-V514 HydrophobicContact CB-CG2 4.33Å; F509-V514 HydrophobicContact CZ-CG2 4.29Å; D511-V514 PolarHBondContact O-N 2.86Å; D511-V514 VanDerWaalsContact O-O 3.09Å; F512-V514 PolarHBondContact O-N 3.37Å; V514-L519 HydrophobicContact CB-CD2 3.79Å; V514-L519 HydrophobicContact CB-CG 4.28Å; V514-L519 HydrophobicContact CG1-CD2 3.72Å; V514-L519 HydrophobicContact CG1-CG 4.04Å; V514-L519 HydrophobicContact CG2-CD2 4.41Å; V514-R563 PolarHBondContact O-NH1 3.28Å; V514-R563 PolarHBondContact O-NH2 2.87Å
515	T	95.4	Very high	95.1	Very high	85 Å²	85	31.7 Å²	31.7	52%	0.521	17%	0.168	S	C	.	.			trans	-70.7	156	173.6	65.2	0	0	0	0	111.2	H517 G518 L519	T515-H517 PolarHBondContact O-N 3.21Å; T515-G518 CarbonylContact O-C 3.51Å; T515-G518 WeakPolarHBondContact O-CA 3.44Å; T515-G518 PolarHBondContact O-N 2.89Å; T515-G518 PolarHBondContact OG1-N 3.16Å; T515-G518 VanDerWaalsContact OG1-N 3.1Å; T515-L519 WeakPolarHBondContact O-CG 3.38Å; T515-L519 PolarHBondContact O-N 3.42Å
516	E	93.3	Very high	95.2	Very high	66 Å²	66	28 Å²	28	31%	0.308	15%	0.154	S	C	.	.	H	α-helix	trans	-57.8	-36.5	176.7	-67.3	-170.8	175	0	0	112.7	G518 L519 I520 R551	E516-G518 VanDerWaalsContact C-N 3.35Å; E516-L519 PolarHBondContact O-N 3.28Å; E516-I520 WeakPolarHBondContact O-CG1 3.18Å; E516-I520 PolarHBondContact O-N 3.37Å; E516-I520 VanDerWaalsContact O-N 3.1Å; E516-R551 IonicContact OE2-CZ 3.36Å; E516-R551 VanDerWaalsContact OE2-CZ 3.28Å; E516-R551 IonicContact OE2-NE 3.24Å; E516-R551 PolarHBondContact OE2-NE 2.96Å; E516-R551 IonicContact OE2-NH2 3.3Å; E516-R551 PolarHBondContact OE2-NH2 2.78Å
517	H	94.1	Very high	95.4	Very high	62 Å²	62	23.8 Å²	23.8	29%	0.287	13%	0.131	S	C	.	.	H	α-helix	trans	-64.8	-38.4	174	-175.2	71.4	0	0	0	112.1	S465 T515 I520 K521	S465-H517 PolarHBondContact OG-CE1 3.24Å; S465-H517 VanDerWaalsContact OG-CE1 3.27Å; T515-H517 PolarHBondContact O-N 3.21Å; H517-I520 PolarHBondContact O-N 3.11Å; H517-K521 WeakPolarHBondContact NE2-CE 3.28Å; H517-K521 PolarHBondContact NE2-NZ 3.42Å; H517-K521 PolarHBondContact O-N 3.24Å
518	G	95.2	Very high	95.5	Very high	10 Å²	10	23.7 Å²	23.7	10%	0.103	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-40.3	171.6	0	0	0	0	0	112.7	T515 E516 I520 K521 A522	T515-G518 CarbonylContact O-C 3.51Å; T515-G518 WeakPolarHBondContact O-CA 3.44Å; T515-G518 PolarHBondContact O-N 2.89Å; T515-G518 PolarHBondContact OG1-N 3.16Å; T515-G518 VanDerWaalsContact OG1-N 3.1Å; E516-G518 VanDerWaalsContact C-N 3.35Å; G518-I520 VanDerWaalsContact C-N 3.35Å; G518-I520 PolarHBondContact O-N 3.39Å; G518-K521 PolarHBondContact O-N 2.96Å; G518-A522 PolarHBondContact O-N 2.87Å
519	L	96.8	Very high	95.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.9	-37	176.4	-62.8	179.3	0	0	0	112.4	F509 D511 V514 T515 E516 K521 A522 G523 R563 F566	F509-L519 HydrophobicContact CZ-CD2 4.27Å; D511-L519 HydrophobicContact CB-CD1 4.22Å; D511-L519 HydrophobicContact CB-CD2 4.03Å; V514-L519 HydrophobicContact CB-CD2 3.79Å; V514-L519 HydrophobicContact CB-CG 4.28Å; V514-L519 HydrophobicContact CG1-CD2 3.72Å; V514-L519 HydrophobicContact CG1-CG 4.04Å; V514-L519 HydrophobicContact CG2-CD2 4.41Å; T515-L519 WeakPolarHBondContact O-CG 3.38Å; T515-L519 PolarHBondContact O-N 3.42Å; E516-L519 PolarHBondContact O-N 3.28Å; L519-K521 VanDerWaalsContact C-N 3.35Å; L519-K521 PolarHBondContact O-N 3.44Å; L519-A522 PolarHBondContact O-N 3Å; L519-G523 PolarHBondContact O-N 3.36Å; L519-R563 HydrophobicContact CD1-CG 4.1Å; L519-F566 HydrophobicContact CB-CD2 3.92Å; L519-F566 HydrophobicContact CB-CE2 4.11Å; L519-F566 HydrophobicContact CB-CG 4.14Å; L519-F566 HydrophobicContact CB-CZ 4.49Å; L519-F566 HydrophobicContact CD1-CD1 4.4Å; L519-F566 HydrophobicContact CD1-CG 4.39Å; L519-F566 HydrophobicContact CD2-CD1 3.78Å; L519-F566 HydrophobicContact CD2-CE1 3.6Å; L519-F566 HydrophobicContact CD2-CE2 4.35Å; L519-F566 HydrophobicContact CD2-CG 4.25Å; L519-F566 HydrophobicContact CD2-CZ 3.88Å; L519-F566 HydrophobicContact CG-CD1 4.46Å; L519-F566 HydrophobicContact CG-CG 4.49Å; L519-F566 WeakPolarHBondContact O-CE2 3.25Å
520	I	96.8	Very high	95.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-58.8	-47.8	173.2	-65.4	168.7	0	0	0	110.2	I466 E516 H517 G518 A522 G523 I524 M547 Y548 R551 W562	I466-I520 HydrophobicContact CD1-CB 4.37Å; I466-I520 HydrophobicContact CD1-CG2 3.43Å; I466-I520 VanDerWaalsContact CD1-CG2 3.43Å; E516-I520 WeakPolarHBondContact O-CG1 3.18Å; E516-I520 PolarHBondContact O-N 3.37Å; E516-I520 VanDerWaalsContact O-N 3.1Å; H517-I520 PolarHBondContact O-N 3.11Å; G518-I520 VanDerWaalsContact C-N 3.35Å; G518-I520 PolarHBondContact O-N 3.39Å; I520-A522 PolarHBondContact O-N 3.15Å; I520-G523 PolarHBondContact O-N 2.95Å; I520-I524 HydrophobicContact CG2-CD1 4.32Å; I520-I524 WeakPolarHBondContact O-CG1 3.42Å; I520-I524 PolarHBondContact O-N 2.76Å; I520-M547 HydrophobicContact CB-CG 4.42Å; I520-M547 HydrophobicContact CG2-CB 4.37Å; I520-M547 HydrophobicContact CG2-CG 3.77Å; I520-Y548 HydrophobicContact CD1-CD2 3.67Å; I520-Y548 HydrophobicContact CD1-CE2 3.83Å; I520-Y548 HydrophobicContact CD1-CG 4.08Å; I520-Y548 HydrophobicContact CG2-CD2 4.24Å; I520-R551 HydrophobicContact CD1-CB 4.1Å; I520-R551 HydrophobicContact CD1-CG 4Å; I520-R551 HydrophobicContact CG1-CB 4.16Å; I520-R551 HydrophobicContact CG1-CG 4.27Å; I520-W562 HydrophobicContact CG1-CZ2 4.33Å
521	K	96.3	Very high	95.7	Very high	45 Å²	45	25.9 Å²	25.9	20%	0.196	14%	0.144	C	C	.	.	H	α-helix	trans	-64.2	-39.9	177.6	-66.2	-178.6	176.4	175	0	112.2	I466 H517 G518 L519 G523 I524 R525	I466-K521 HydrophobicContact CD1-CG 4.42Å; I466-K521 HydrophobicContact CG1-CG 4.41Å; I466-K521 HydrophobicContact CG2-CG 4.25Å; H517-K521 WeakPolarHBondContact NE2-CE 3.28Å; H517-K521 PolarHBondContact NE2-NZ 3.42Å; H517-K521 PolarHBondContact O-N 3.24Å; G518-K521 PolarHBondContact O-N 2.96Å; L519-K521 VanDerWaalsContact C-N 3.35Å; L519-K521 PolarHBondContact O-N 3.44Å; K521-G523 VanDerWaalsContact C-N 3.33Å; K521-I524 PolarHBondContact O-N 3.25Å; K521-R525 PolarHBondContact O-N 2.79Å
522	A	96.8	Very high	95.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.9	-38.1	175.1	0	0	0	0	0	112.1	V499 L504 G518 L519 I520 R525 M526 F566	V499-A522 HydrophobicContact CG1-CB 4.09Å; V499-A522 HydrophobicContact CG2-CB 4.42Å; L504-A522 HydrophobicContact CD1-CB 4.27Å; L504-A522 HydrophobicContact CD2-CB 4.25Å; G518-A522 PolarHBondContact O-N 2.87Å; L519-A522 PolarHBondContact O-N 3Å; I520-A522 PolarHBondContact O-N 3.15Å; A522-R525 WeakPolarHBondContact O-CB 3.43Å; A522-R525 PolarHBondContact O-N 3.34Å; A522-M526 WeakPolarHBondContact O-CG 3.42Å; A522-M526 PolarHBondContact O-N 3.06Å; A522-M526 VanDerWaalsContact O-N 3.09Å; A522-F566 HydrophobicContact CB-CE2 3.99Å; A522-F566 HydrophobicContact CB-CZ 3.79Å
523	G	97.1	Very high	96	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.9	-43.9	176.1	0	0	0	0	0	111.8	L519 I520 K521 R525 M526 F527	L519-G523 PolarHBondContact O-N 3.36Å; I520-G523 PolarHBondContact O-N 2.95Å; K521-G523 VanDerWaalsContact C-N 3.33Å; G523-R525 VanDerWaalsContact C-N 3.27Å; G523-R525 PolarHBondContact O-N 2.69Å; G523-M526 WeakPolarHBondContact O-CB 3.3Å; G523-M526 PolarHBondContact O-N 3.34Å; G523-F527 WeakPolarHBondContact O-CD2 3.5Å
524	I	97.3	Very high	96	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.2	-42.1	172.7	-66.2	168	0	0	0	110.2	I466 L489 I520 K521 M526 F527 F528 L543 T544 M547	I466-I524 HydrophobicContact CD1-CD1 4.42Å; I466-I524 HydrophobicContact CG2-CD1 4.15Å; L489-I524 HydrophobicContact CD1-CD1 4.36Å; L489-I524 HydrophobicContact CD1-CG2 4.15Å; L489-I524 HydrophobicContact CD2-CG2 3.86Å; L489-I524 HydrophobicContact CG-CG2 3.92Å; I520-I524 HydrophobicContact CG2-CD1 4.32Å; I520-I524 WeakPolarHBondContact O-CG1 3.42Å; I520-I524 PolarHBondContact O-N 2.76Å; K521-I524 PolarHBondContact O-N 3.25Å; I524-M526 VanDerWaalsContact C-N 3.29Å; I524-M526 PolarHBondContact O-N 3.18Å; I524-F527 PolarHBondContact O-N 3.48Å; I524-F528 HydrophobicContact CG2-CD2 4.03Å; I524-F528 HydrophobicContact CG2-CE2 3.74Å; I524-F528 WeakPolarHBondContact O-CD2 3.26Å; I524-F528 PolarHBondContact O-N 3.09Å; I524-L543 HydrophobicContact CG2-CD2 4.15Å; I524-T544 HydrophobicContact CD1-CG2 4.22Å; I524-M547 HydrophobicContact CD1-CB 4.47Å; I524-M547 HydrophobicContact CG1-CB 4.03Å; I524-M547 HydrophobicContact CG1-CG 4.11Å
525	R	96.5	Very high	96.1	Very high	31 Å²	31	30.4 Å²	30.4	12%	0.117	16%	0.157	C	C	.	.	H	α-helix	trans	-58	-39.2	177.4	-175.1	60.9	-179.5	-129.6	0.7	112.4	C493 P494 A496 L504 K521 A522 G523 F527 F528 E529	C493-R525 HydrophobicContact CB-CB 4.3Å; P494-R525 WeakPolarHBondContact O-CG 3.38Å; P494-R525 PolarHBondContact O-NH1 2.95Å; A496-R525 HydrophobicContact CB-CG 4.11Å; L504-R525 HydrophobicContact CD1-CB 4.49Å; L504-R525 HydrophobicContact CD1-CG 4.4Å; K521-R525 PolarHBondContact O-N 2.79Å; A522-R525 WeakPolarHBondContact O-CB 3.43Å; A522-R525 PolarHBondContact O-N 3.34Å; G523-R525 VanDerWaalsContact C-N 3.27Å; G523-R525 PolarHBondContact O-N 2.69Å; R525-F527 VanDerWaalsContact C-N 3.32Å; R525-F527 PolarHBondContact O-N 3.35Å; R525-F528 WeakPolarHBondContact O-CB 3.41Å; R525-F528 PolarHBondContact O-N 3.18Å; R525-F528 VanDerWaalsContact O-N 3.13Å; R525-E529 HydrophobicContact CG-CG 4.31Å; R525-E529 IonicContact CZ-OE1 2.89Å; R525-E529 VanDerWaalsContact CZ-OE1 3.22Å; R525-E529 IonicContact NE-OE1 3.28Å; R525-E529 PolarHBondContact NE-OE1 3Å; R525-E529 IonicContact NH2-OE1 3.9Å; R525-E529 PolarHBondContact NH2-OE1 3.48Å; R525-E529 WeakPolarHBondContact O-CG 3.36Å; R525-E529 PolarHBondContact O-N 3.23Å
526	M	97.8	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.1	-40.4	178	-66.1	175.5	-157.6	0	0	112.6	L504 A522 G523 I524 F528 E529 L530 F566 H570 F573 F598	L504-M526 HydrophobicContact CD1-CE 4.34Å; L504-M526 HydrophobicContact CD1-CG 4.39Å; L504-M526 HydrophobicContact CD2-CE 4.02Å; A522-M526 WeakPolarHBondContact O-CG 3.42Å; A522-M526 PolarHBondContact O-N 3.06Å; A522-M526 VanDerWaalsContact O-N 3.09Å; G523-M526 WeakPolarHBondContact O-CB 3.3Å; G523-M526 PolarHBondContact O-N 3.34Å; I524-M526 VanDerWaalsContact C-N 3.29Å; I524-M526 PolarHBondContact O-N 3.18Å; M526-F528 VanDerWaalsContact C-N 3.33Å; M526-F528 PolarHBondContact O-N 2.91Å; M526-E529 PolarHBondContact O-N 3.03Å; M526-L530 WeakPolarHBondContact O-CG 3.33Å; M526-L530 PolarHBondContact O-N 3.11Å; M526-F566 HydrophobicContact CE-CE1 4.16Å; M526-F566 HydrophobicContact CE-CE2 3.71Å; M526-F566 HydrophobicContact CE-CZ 3.36Å; M526-H570 HydrophobicContact CE-CB 3.78Å; M526-H570 HydrophobicContact SD-CB 4.42Å; M526-F573 HydrophobicContact CB-CD2 3.79Å; M526-F573 HydrophobicContact CB-CE2 4.11Å; M526-F573 HydrophobicContact CB-CG 4.13Å; M526-F573 HydrophobicContact CG-CB 4.33Å; M526-F573 HydrophobicContact CG-CD1 4.11Å; M526-F573 HydrophobicContact CG-CD2 4.04Å; M526-F573 HydrophobicContact CG-CE1 4.44Å; M526-F573 HydrophobicContact CG-CE2 4.36Å; M526-F573 HydrophobicContact CG-CG 3.9Å; M526-F573 HydrophobicContact SD-CB 3.92Å; M526-F573 HydrophobicContact SD-CD1 4.41Å; M526-F573 HydrophobicContact SD-CG 4.11Å; M526-F598 HydrophobicContact SD-CZ 3.87Å
527	F	97.9	Very high	96.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.6	-34.1	176.9	-70.4	-73.5	0	0	0	112.6	G523 I524 R525 L530 G531 V532 V533 L543 W546 M547 F591 V594 A595 F598	G523-F527 WeakPolarHBondContact O-CD2 3.5Å; I524-F527 PolarHBondContact O-N 3.48Å; R525-F527 VanDerWaalsContact C-N 3.32Å; R525-F527 PolarHBondContact O-N 3.35Å; F527-L530 HydrophobicContact CD1-CD1 4.46Å; F527-G531 PolarHBondContact O-N 2.9Å; F527-V532 HydrophobicContact CB-CG2 4.2Å; F527-V532 HydrophobicContact CD1-CG2 3.89Å; F527-V532 WeakPolarHBondContact O-CG2 3.36Å; F527-V532 PolarHBondContact O-N 3.49Å; F527-V533 HydrophobicContact CB-CG2 3.81Å; F527-L543 HydrophobicContact CB-CD2 4.34Å; F527-L543 HydrophobicContact CD2-CD1 3.91Å; F527-L543 HydrophobicContact CE2-CD1 4.35Å; F527-L543 HydrophobicContact CG-CD1 4.25Å; F527-W546 AromaticContact CE2-CZ3 3.86Å; F527-W546 HydrophobicContact CE2-CZ3 3.86Å; F527-W546 HydrophobicContact CZ-CH2 4.27Å; F527-W546 AromaticContact CZ-CZ3 3.94Å; F527-W546 HydrophobicContact CZ-CZ3 3.94Å; F527-M547 HydrophobicContact CD2-CE 4.17Å; F527-M547 HydrophobicContact CE2-CE 3.57Å; F527-F591 AromaticContact CD1-CD2 3.69Å; F527-F591 HydrophobicContact CD1-CD2 3.69Å; F527-F591 AromaticContact CD1-CE2 3.66Å; F527-F591 HydrophobicContact CD1-CE2 3.66Å; F527-F591 AromaticContact CE1-CD2 3.55Å; F527-F591 HydrophobicContact CE1-CD2 3.55Å; F527-F591 AromaticContact CE1-CE2 3.55Å; F527-F591 HydrophobicContact CE1-CE2 3.55Å; F527-V594 HydrophobicContact CE1-CB 4.44Å; F527-V594 HydrophobicContact CE1-CG1 4.08Å; F527-V594 HydrophobicContact CZ-CG1 4.03Å; F527-A595 HydrophobicContact CE1-CB 4.34Å; F527-A595 HydrophobicContact CZ-CB 4.19Å; F527-F598 HydrophobicContact CE2-CD2 4.16Å; F527-F598 AromaticContact CE2-CE2 3.9Å; F527-F598 HydrophobicContact CE2-CE2 3.9Å; F527-F598 HydrophobicContact CZ-CD2 4.1Å; F527-F598 HydrophobicContact CZ-CE2 4.13Å
528	F	96.4	Very high	96.3	Very high	13 Å²	13	28.7 Å²	28.7	6%	0.057	14%	0.141	C	C	.	.	H	α-helix	trans	-66.5	-42.7	171.2	-79	-72.5	0	0	0	112.2	L489 R490 I524 R525 M526 L530 G531 V533	L489-F528 HydrophobicContact CB-CE2 4.38Å; L489-F528 HydrophobicContact CB-CZ 4.29Å; L489-F528 HydrophobicContact CD2-CE2 3.82Å; L489-F528 HydrophobicContact CD2-CZ 3.98Å; L489-F528 HydrophobicContact CG-CE2 3.87Å; L489-F528 HydrophobicContact CG-CZ 4.19Å; R490-F528 HydrophobicContact CB-CE1 4.43Å; R490-F528 HydrophobicContact CB-CZ 4.41Å; I524-F528 HydrophobicContact CG2-CD2 4.03Å; I524-F528 HydrophobicContact CG2-CE2 3.74Å; I524-F528 WeakPolarHBondContact O-CD2 3.26Å; I524-F528 PolarHBondContact O-N 3.09Å; R525-F528 WeakPolarHBondContact O-CB 3.41Å; R525-F528 PolarHBondContact O-N 3.18Å; R525-F528 VanDerWaalsContact O-N 3.13Å; M526-F528 VanDerWaalsContact C-N 3.33Å; M526-F528 PolarHBondContact O-N 2.91Å; F528-L530 VanDerWaalsContact C-N 3.29Å; F528-L530 PolarHBondContact O-N 2.9Å; F528-G531 WeakPolarHBondContact O-CA 3.5Å; F528-G531 PolarHBondContact O-N 3.26Å; F528-V533 HydrophobicContact CD1-CB 4.2Å; F528-V533 HydrophobicContact CD1-CG1 4.46Å; F528-V533 HydrophobicContact CD1-CG2 4.18Å; F528-V533 HydrophobicContact CE1-CB 4.09Å; F528-V533 HydrophobicContact CE1-CG1 3.85Å; F528-V533 HydrophobicContact CE1-CG2 4.28Å; F528-V533 HydrophobicContact CG-CG2 4.34Å; F528-V533 HydrophobicContact CZ-CG1 4.12Å
529	E	95.9	Very high	96.3	Very high	42 Å²	42	29.3 Å²	29.3	20%	0.196	14%	0.143	C	C	.	.	H	α-helix	trans	-69.9	-25	178.2	-64.4	-55.5	153.9	0	0	112.8	R490 A496 Y505 R525 M526 G531 F573 Q577	R490-E529 IonicContact NH2-OE1 3.03Å; A496-E529 HydrophobicContact CB-CG 3.8Å; Y505-E529 VanDerWaalsContact OH-CD 3.27Å; Y505-E529 WeakPolarHBondContact OH-CG 3.32Å; Y505-E529 PolarHBondContact OH-OE2 3.21Å; R525-E529 HydrophobicContact CG-CG 4.31Å; R525-E529 IonicContact CZ-OE1 2.89Å; R525-E529 VanDerWaalsContact CZ-OE1 3.22Å; R525-E529 IonicContact NE-OE1 3.28Å; R525-E529 PolarHBondContact NE-OE1 3Å; R525-E529 IonicContact NH2-OE1 3.9Å; R525-E529 PolarHBondContact NH2-OE1 3.48Å; R525-E529 WeakPolarHBondContact O-CG 3.36Å; R525-E529 PolarHBondContact O-N 3.23Å; M526-E529 PolarHBondContact O-N 3.03Å; E529-G531 VanDerWaalsContact C-N 3.25Å; E529-F573 HydrophobicContact CB-CE2 3.79Å; E529-F573 HydrophobicContact CB-CZ 3.81Å; E529-F573 HydrophobicContact CG-CZ 4.45Å; E529-Q577 PolarHBondContact O-NE2 3.44Å
530	L	95.8	Very high	96.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-71.5	-20	167.8	-71.1	170.5	0	0	0	112.6	M526 F527 F528 V532 F573 Q577 R582 V594	M526-L530 WeakPolarHBondContact O-CG 3.33Å; M526-L530 PolarHBondContact O-N 3.11Å; F527-L530 HydrophobicContact CD1-CD1 4.46Å; F528-L530 VanDerWaalsContact C-N 3.29Å; F528-L530 PolarHBondContact O-N 2.9Å; L530-V532 VanDerWaalsContact C-N 3.3Å; L530-V532 HydrophobicContact CB-CG1 3.95Å; L530-V532 HydrophobicContact CB-CG2 4.1Å; L530-F573 HydrophobicContact CD1-CD2 4.49Å; L530-F573 HydrophobicContact CD2-CD2 4.15Å; L530-F573 HydrophobicContact CD2-CE2 4.42Å; L530-F573 HydrophobicContact CG-CD2 4.04Å; L530-F573 HydrophobicContact CG-CE2 4.22Å; L530-Q577 HydrophobicContact CD2-CG 4.39Å; L530-R582 PolarHBondContact O-NH1 3.33Å; L530-R582 VanDerWaalsContact O-NH1 3.16Å; L530-R582 PolarHBondContact O-NH2 3.4Å; L530-V594 HydrophobicContact CD1-CB 4.19Å; L530-V594 HydrophobicContact CD1-CG1 4.36Å; L530-V594 HydrophobicContact CD1-CG2 3.93Å
531	G	95.7	Very high	96	Very high	39 Å²	39	30.4 Å²	30.4	40%	0.402	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	18.7	-177.5	0	0	0	0	0	114	F527 F528 E529 K535	F527-G531 PolarHBondContact O-N 2.9Å; F528-G531 WeakPolarHBondContact O-CA 3.5Å; F528-G531 PolarHBondContact O-N 3.26Å; E529-G531 VanDerWaalsContact C-N 3.25Å; G531-K535 VanDerWaalsContact O-CB 3.3Å; G531-K535 WeakPolarHBondContact O-CB 3.31Å
532	V	96.8	Very high	96	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-88.2	-27.9	-174	-63	0	0	0	0	112.7	F527 L530 K535 F536 D587 F591	F527-V532 HydrophobicContact CB-CG2 4.2Å; F527-V532 HydrophobicContact CD1-CG2 3.89Å; F527-V532 WeakPolarHBondContact O-CG2 3.36Å; F527-V532 PolarHBondContact O-N 3.49Å; L530-V532 VanDerWaalsContact C-N 3.3Å; L530-V532 HydrophobicContact CB-CG1 3.95Å; L530-V532 HydrophobicContact CB-CG2 4.1Å; V532-K535 PolarHBondContact O-N 3.23Å; V532-F536 HydrophobicContact CB-CD2 3.94Å; V532-F536 HydrophobicContact CB-CE2 4.23Å; V532-F536 HydrophobicContact CG1-CD2 4.39Å; V532-F536 HydrophobicContact CG1-CE2 4.17Å; V532-F536 WeakPolarHBondContact O-CD2 3.38Å; V532-F536 PolarHBondContact O-N 2.89Å; V532-D587 HydrophobicContact CG1-CB 4.49Å; V532-F591 HydrophobicContact CB-CB 4.18Å; V532-F591 HydrophobicContact CB-CD1 4.48Å; V532-F591 HydrophobicContact CB-CD2 4.3Å; V532-F591 HydrophobicContact CB-CG 4.08Å; V532-F591 HydrophobicContact CG1-CB 3.92Å; V532-F591 HydrophobicContact CG1-CG 4.38Å; V532-F591 HydrophobicContact CG2-CB 4.37Å; V532-F591 HydrophobicContact CG2-CD2 3.73Å; V532-F591 HydrophobicContact CG2-CE2 4.21Å; V532-F591 HydrophobicContact CG2-CG 4.03Å
533	V	95.9	Very high	96	Very high	2 Å²	2	29 Å²	29	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-58.8	-55.9	-179.4	-177.8	0	0	0	0	111	Y486 F527 F528 K537 V538 L543	Y486-V533 HydrophobicContact CD1-CG1 4.03Å; Y486-V533 HydrophobicContact CE1-CG1 3.82Å; F527-V533 HydrophobicContact CB-CG2 3.81Å; F528-V533 HydrophobicContact CD1-CB 4.2Å; F528-V533 HydrophobicContact CD1-CG1 4.46Å; F528-V533 HydrophobicContact CD1-CG2 4.18Å; F528-V533 HydrophobicContact CE1-CB 4.09Å; F528-V533 HydrophobicContact CE1-CG1 3.85Å; F528-V533 HydrophobicContact CE1-CG2 4.28Å; F528-V533 HydrophobicContact CG-CG2 4.34Å; F528-V533 HydrophobicContact CZ-CG1 4.12Å; V533-K537 CarbonylContact O-C 3.58Å; V533-K537 VanDerWaalsContact O-CA 3.32Å; V533-K537 WeakPolarHBondContact O-CA 3.4Å; V533-K537 PolarHBondContact O-N 2.86Å; V533-V538 HydrophobicContact CG1-CB 4.37Å; V533-V538 PolarHBondContact O-N 2.93Å; V533-L543 HydrophobicContact CG1-CD2 4.42Å; V533-L543 HydrophobicContact CG2-CD2 3.72Å
534	E	93.9	Very high	95.9	Very high	120 Å²	120	29 Å²	29	56%	0.561	14%	0.143	S	C	*	.	H	α-helix	trans	-70.9	-37.9	-179.6	-64.9	178.8	173.9	0	0	112	Y486 K537	Y486-E534 HydrophobicContact CD2-CG 4.24Å; E534-K537 PolarHBondContact O-N 3.2Å
535	K	95.8	Very high	95.8	Very high	121 Å²	121	30.1 Å²	30.1	53%	0.526	15%	0.147	S	C	.	.	H	α-helix	trans	-64.9	-46.5	-177	-175.2	178.6	-172.3	-179.2	0	112.6	G531 V532 D587	G531-K535 VanDerWaalsContact O-CB 3.3Å; G531-K535 WeakPolarHBondContact O-CB 3.31Å; V532-K535 PolarHBondContact O-N 3.23Å; K535-D587 HydrophobicContact CD-CB 4.12Å; K535-D587 WeakPolarHBondContact CD-OD2 3.37Å; K535-D587 IonicContact NZ-OD2 3.39Å; K535-D587 PolarHBondContact NZ-OD2 2.87Å
536	F	96.8	Very high	95.8	Very high	27 Å²	27	29 Å²	29	12%	0.118	14%	0.143	C	C	.	.	H	α-helix	trans	-95.8	5.2	179.9	-61.3	-69.6	0	0	0	112.9	V532 V538 D587 L588 F591 L651	V532-F536 HydrophobicContact CB-CD2 3.94Å; V532-F536 HydrophobicContact CB-CE2 4.23Å; V532-F536 HydrophobicContact CG1-CD2 4.39Å; V532-F536 HydrophobicContact CG1-CE2 4.17Å; V532-F536 WeakPolarHBondContact O-CD2 3.38Å; V532-F536 PolarHBondContact O-N 2.89Å; F536-V538 VanDerWaalsContact C-N 3.32Å; F536-V538 HydrophobicContact CB-CG2 4.26Å; F536-V538 PolarHBondContact O-N 3.34Å; F536-D587 HydrophobicContact CE2-CB 4.13Å; F536-D587 HydrophobicContact CZ-CB 4.27Å; F536-L588 HydrophobicContact CE1-CB 4.41Å; F536-L588 HydrophobicContact CE1-CD1 4.22Å; F536-L588 HydrophobicContact CZ-CB 3.85Å; F536-L588 HydrophobicContact CZ-CD1 4.14Å; F536-F591 HydrophobicContact CD2-CD1 4Å; F536-F591 HydrophobicContact CE2-CD1 4.4Å; F536-L651 HydrophobicContact CB-CD2 4.07Å; F536-L651 HydrophobicContact CD1-CD2 3.51Å; F536-L651 HydrophobicContact CE1-CD2 4.23Å; F536-L651 HydrophobicContact CG-CD2 4.01Å
537	K	95.3	Very high	95.8	Very high	146 Å²	146	29 Å²	29	64%	0.635	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	46.8	179.1	-53.6	178.3	-178.8	179.6	0	111.9	V533 E534 P539 N650	V533-K537 CarbonylContact O-C 3.58Å; V533-K537 VanDerWaalsContact O-CA 3.32Å; V533-K537 WeakPolarHBondContact O-CA 3.4Å; V533-K537 PolarHBondContact O-N 2.86Å; E534-K537 PolarHBondContact O-N 3.2Å; K537-P539 WeakPolarHBondContact O-CD 3.3Å; K537-N650 PolarHBondContact O-ND2 3.32Å
538	V	96.3	Very high	95.7	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.018	15%	0.149	C	C	.	.			trans	-70.5	119.3	178.2	-175.7	0	0	0	0	108.4	Y486 V533 F536 A540 L543 F591 I647	Y486-V538 VanDerWaalsContact CE1-O 3.26Å; Y486-V538 WeakPolarHBondContact CE1-O 3.4Å; Y486-V538 PolarHBondContact OH-O 2.88Å; Y486-V538 VanDerWaalsContact OH-O 3.08Å; V533-V538 HydrophobicContact CG1-CB 4.37Å; V533-V538 PolarHBondContact O-N 2.93Å; F536-V538 VanDerWaalsContact C-N 3.32Å; F536-V538 HydrophobicContact CB-CG2 4.26Å; F536-V538 PolarHBondContact O-N 3.34Å; V538-A540 PolarHBondContact O-N 3.28Å; V538-L543 HydrophobicContact CG1-CB 4.08Å; V538-F591 HydrophobicContact CG2-CE1 4.02Å; V538-F591 HydrophobicContact CG2-CZ 3.86Å; V538-I647 HydrophobicContact CG1-CB 3.97Å; V538-I647 HydrophobicContact CG1-CG2 4.36Å
539	P	95.4	Very high	95.7	Very high	23 Å²	23	29.9 Å²	29.9	15%	0.149	15%	0.147	C	C	.	.			trans	-58.4	135.1	-179.9	-21.7	32.3	0	0	0	111.4	K537 E541 T542 L543	K537-P539 WeakPolarHBondContact O-CD 3.3Å; P539-E541 PolarHBondContact O-N 3.44Å; P539-T542 PolarHBondContact O-N 2.88Å; P539-L543 PolarHBondContact O-N 3.33Å
540	A	93.5	Very high	95.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.7	-36.2	-177.3	0	0	0	0	0	112.1	L467 Q482 M485 Y486 L489 V538 T544	L467-A540 HydrophobicContact CD2-CB 4.28Å; Q482-A540 VanDerWaalsContact OE1-N 3.16Å; M485-A540 HydrophobicContact CB-CB 3.77Å; M485-A540 HydrophobicContact CE-CB 4.14Å; Y486-A540 HydrophobicContact CD1-CB 3.88Å; Y486-A540 HydrophobicContact CE1-CB 4.02Å; L489-A540 HydrophobicContact CD2-CB 4.01Å; V538-A540 PolarHBondContact O-N 3.28Å; A540-T544 WeakPolarHBondContact O-CB 3.42Å; A540-T544 PolarHBondContact O-N 3.11Å; A540-T544 VanDerWaalsContact O-N 3.14Å; A540-T544 PolarHBondContact O-OG1 3.5Å
541	E	93.6	Very high	95.8	Very high	25 Å²	25	31.4 Å²	31.4	12%	0.117	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-57.3	174	-164.9	-164	147.4	0	0	111.7	M463 L467 P477 M485 P539 L543 T544 R545	M463-E541 HydrophobicContact CE-CG 4.11Å; M463-E541 HydrophobicContact SD-CG 3.31Å; M463-E541 WeakPolarHBondContact SD-CG 3.31Å; L467-E541 HydrophobicContact CD1-CB 4.45Å; P477-E541 HydrophobicContact CB-CB 4.4Å; P477-E541 HydrophobicContact CB-CG 4Å; M485-E541 HydrophobicContact CE-CB 4.27Å; P539-E541 PolarHBondContact O-N 3.44Å; E541-L543 VanDerWaalsContact C-N 3.3Å; E541-L543 PolarHBondContact O-N 2.94Å; E541-T544 PolarHBondContact O-N 3.4Å; E541-T544 VanDerWaalsContact O-N 3.12Å; E541-R545 WeakPolarHBondContact O-CB 3.49Å; E541-R545 PolarHBondContact O-N 3.05Å; E541-R545 IonicContact OE1-CZ 3.53Å; E541-R545 IonicContact OE1-NE 2.67Å; E541-R545 IonicContact OE1-NH2 2.6Å; E541-R545 PolarHBondContact OE1-NH2 3.43Å
542	T	95.3	Very high	95.7	Very high	14 Å²	14	31.9 Å²	31.9	9%	0.086	14%	0.142	C	C	.	.	H	α-helix	trans	-57.5	-42.4	-179.2	-51.8	0	0	0	0	111.6	P539 R545 W546 I647	P539-T542 PolarHBondContact O-N 2.88Å; T542-R545 PolarHBondContact O-N 3.3Å; T542-W546 WeakPolarHBondContact O-CB 3.32Å; T542-W546 PolarHBondContact O-N 2.68Å; T542-I647 HydrophobicContact CG2-CG2 4.17Å
543	L	96.4	Very high	95.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-62.5	-44.3	177.1	-179.9	60.5	0	0	0	112.4	I524 F527 V533 V538 P539 E541 M547 I647	I524-L543 HydrophobicContact CG2-CD2 4.15Å; F527-L543 HydrophobicContact CB-CD2 4.34Å; F527-L543 HydrophobicContact CD2-CD1 3.91Å; F527-L543 HydrophobicContact CE2-CD1 4.35Å; F527-L543 HydrophobicContact CG-CD1 4.25Å; V533-L543 HydrophobicContact CG1-CD2 4.42Å; V533-L543 HydrophobicContact CG2-CD2 3.72Å; V538-L543 HydrophobicContact CG1-CB 4.08Å; P539-L543 PolarHBondContact O-N 3.33Å; E541-L543 VanDerWaalsContact C-N 3.3Å; E541-L543 PolarHBondContact O-N 2.94Å; L543-M547 WeakPolarHBondContact O-CB 3.27Å; L543-M547 PolarHBondContact O-N 2.89Å; L543-I647 HydrophobicContact CD1-CG2 4.28Å
544	T	95.6	Very high	95.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-46.3	178.9	-56.2	0	0	0	0	110.6	M463 I466 L467 I524 A540 E541 Y548	M463-T544 HydrophobicContact CG-CG2 4.16Å; I466-T544 HydrophobicContact CB-CG2 3.87Å; I466-T544 HydrophobicContact CD1-CG2 4.13Å; I466-T544 HydrophobicContact CG2-CG2 3.99Å; L467-T544 HydrophobicContact CD1-CG2 4.07Å; L467-T544 HydrophobicContact CG-CG2 4.11Å; I524-T544 HydrophobicContact CD1-CG2 4.22Å; A540-T544 WeakPolarHBondContact O-CB 3.42Å; A540-T544 PolarHBondContact O-N 3.11Å; A540-T544 VanDerWaalsContact O-N 3.14Å; A540-T544 PolarHBondContact O-OG1 3.5Å; E541-T544 PolarHBondContact O-N 3.4Å; E541-T544 VanDerWaalsContact O-N 3.12Å; T544-Y548 WeakPolarHBondContact O-CB 3.4Å; T544-Y548 PolarHBondContact O-N 2.88Å; T544-Y548 VanDerWaalsContact O-N 3.13Å
545	R	95.7	Very high	95.7	Very high	23 Å²	23	32 Å²	32	9%	0.087	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-43.6	178.6	-164.4	-176.6	-67.7	-82.8	6.8	111.3	C458 M463 E541 T542 T549 L645	C458-R545 HydrophobicContact CB-CG 3.88Å; C458-R545 PolarHBondContact O-NH1 3.05Å; M463-R545 PolarHBondContact SD-NH2 3.25Å; E541-R545 WeakPolarHBondContact O-CB 3.49Å; E541-R545 PolarHBondContact O-N 3.05Å; E541-R545 IonicContact OE1-CZ 3.53Å; E541-R545 IonicContact OE1-NE 2.67Å; E541-R545 IonicContact OE1-NH2 2.6Å; E541-R545 PolarHBondContact OE1-NH2 3.43Å; T542-R545 PolarHBondContact O-N 3.3Å; R545-T549 VanDerWaalsContact O-CB 3.25Å; R545-T549 WeakPolarHBondContact O-CB 3.5Å; R545-T549 PolarHBondContact O-N 2.71Å; R545-T549 PolarHBondContact O-OG1 3.24Å; R545-L645 HydrophobicContact CB-CD2 4.31Å; R545-L645 HydrophobicContact CG-CD2 3.68Å
546	W	97.1	Very high	95.7	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.027	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-53.2	177.2	178.6	84.9	0	0	0	111.7	F527 T542 Y548 T549 V550 A595 F598 I647	F527-W546 AromaticContact CE2-CZ3 3.86Å; F527-W546 HydrophobicContact CE2-CZ3 3.86Å; F527-W546 HydrophobicContact CZ-CH2 4.27Å; F527-W546 AromaticContact CZ-CZ3 3.94Å; F527-W546 HydrophobicContact CZ-CZ3 3.94Å; T542-W546 WeakPolarHBondContact O-CB 3.32Å; T542-W546 PolarHBondContact O-N 2.68Å; W546-Y548 VanDerWaalsContact C-N 3.29Å; W546-Y548 PolarHBondContact O-N 3.37Å; W546-T549 PolarHBondContact O-N 3.41Å; W546-T549 VanDerWaalsContact O-N 3.08Å; W546-V550 HydrophobicContact CD2-CG2 3.94Å; W546-V550 HydrophobicContact CE3-CG2 4.38Å; W546-V550 HydrophobicContact CG-CG2 4.42Å; W546-V550 HydrophobicContact CH2-CG2 4.2Å; W546-V550 HydrophobicContact CZ2-CG2 3.77Å; W546-V550 HydrophobicContact CZ3-CG2 4.5Å; W546-V550 WeakPolarHBondContact O-CG2 3.15Å; W546-V550 PolarHBondContact O-N 3.41Å; W546-A595 HydrophobicContact CH2-CB 3.97Å; W546-A595 HydrophobicContact CZ2-CB 4.17Å; W546-F598 HydrophobicContact CH2-CB 4.14Å; W546-F598 HydrophobicContact CH2-CD2 4.44Å; W546-I647 HydrophobicContact CB-CG2 3.47Å; W546-I647 VanDerWaalsContact CB-CG2 3.47Å; W546-I647 HydrophobicContact CD2-CD1 3.9Å; W546-I647 HydrophobicContact CD2-CG2 3.95Å; W546-I647 HydrophobicContact CE3-CD1 4.02Å; W546-I647 HydrophobicContact CE3-CG2 4.34Å; W546-I647 HydrophobicContact CG-CD1 4.48Å; W546-I647 HydrophobicContact CG-CG2 3.57Å; W546-I647 HydrophobicContact CH2-CD1 4.22Å; W546-I647 HydrophobicContact CZ2-CD1 4.07Å; W546-I647 HydrophobicContact CZ3-CD1 4.19Å
547	M	97.1	Very high	95.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-42.3	-178.1	-177.2	60.6	71.4	0	0	112	I520 I524 F527 L543 V550 R551 W562 F598	I520-M547 HydrophobicContact CB-CG 4.42Å; I520-M547 HydrophobicContact CG2-CB 4.37Å; I520-M547 HydrophobicContact CG2-CG 3.77Å; I524-M547 HydrophobicContact CD1-CB 4.47Å; I524-M547 HydrophobicContact CG1-CB 4.03Å; I524-M547 HydrophobicContact CG1-CG 4.11Å; F527-M547 HydrophobicContact CD2-CE 4.17Å; F527-M547 HydrophobicContact CE2-CE 3.57Å; L543-M547 WeakPolarHBondContact O-CB 3.27Å; L543-M547 PolarHBondContact O-N 2.89Å; M547-V550 PolarHBondContact O-N 2.84Å; M547-R551 PolarHBondContact O-N 3.02Å; M547-R551 VanDerWaalsContact O-N 3.12Å; M547-W562 HydrophobicContact SD-CH2 3.52Å; M547-W562 VanDerWaalsContact SD-CH2 3.52Å; M547-W562 HydrophobicContact SD-CZ2 4.07Å; M547-F598 HydrophobicContact CE-CD2 4.11Å; M547-F598 HydrophobicContact CE-CE1 4.46Å; M547-F598 HydrophobicContact CE-CE2 3.91Å; M547-F598 HydrophobicContact CE-CG 4.49Å; M547-F598 HydrophobicContact CE-CZ 4.1Å
548	Y	96	Very high	95.6	Very high	30 Å²	30	27.5 Å²	27.5	12%	0.118	15%	0.145	C	C	.	.	H	α-helix	trans	-68.4	-39	177.8	-156.2	-67.2	0	0	0	111.9	C458 E462 I466 I520 T544 W546 R551 K552	C458-Y548 HydrophobicContact CB-CD1 4.01Å; C458-Y548 HydrophobicContact CB-CG 4.16Å; E462-Y548 HydrophobicContact CB-CD1 4.31Å; E462-Y548 HydrophobicContact CB-CE1 3.83Å; E462-Y548 HydrophobicContact CB-CE2 4.04Å; E462-Y548 VanDerWaalsContact CD-CE1 3.43Å; E462-Y548 HydrophobicContact CG-CE1 3.83Å; E462-Y548 VanDerWaalsContact OE1-CE1 3.3Å; E462-Y548 WeakPolarHBondContact OE1-CE1 3.34Å; I466-Y548 HydrophobicContact CD1-CD2 4.01Å; I520-Y548 HydrophobicContact CD1-CD2 3.67Å; I520-Y548 HydrophobicContact CD1-CE2 3.83Å; I520-Y548 HydrophobicContact CD1-CG 4.08Å; I520-Y548 HydrophobicContact CG2-CD2 4.24Å; T544-Y548 WeakPolarHBondContact O-CB 3.4Å; T544-Y548 PolarHBondContact O-N 2.88Å; T544-Y548 VanDerWaalsContact O-N 3.13Å; W546-Y548 VanDerWaalsContact C-N 3.29Å; W546-Y548 PolarHBondContact O-N 3.37Å; Y548-R551 WeakPolarHBondContact O-CB 3.47Å; Y548-R551 PolarHBondContact O-N 2.96Å; Y548-K552 HydrophobicContact CD1-CD 3.93Å; Y548-K552 HydrophobicContact CD1-CG 4.12Å; Y548-K552 HydrophobicContact CE1-CD 3.9Å; Y548-K552 HydrophobicContact CE1-CG 4.12Å; Y548-K552 PolarHBondContact O-N 2.74Å
549	T	96.1	Very high	95.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-65.9	-40.8	176.4	-58	0	0	0	0	111.4	C458 R545 W546 R551 K552 G553 L639 L645	C458-T549 WeakPolarHBondContact CB-OG1 3.3Å; C458-T549 PolarHBondContact N-OG1 3.12Å; R545-T549 VanDerWaalsContact O-CB 3.25Å; R545-T549 WeakPolarHBondContact O-CB 3.5Å; R545-T549 PolarHBondContact O-N 2.71Å; R545-T549 PolarHBondContact O-OG1 3.24Å; W546-T549 PolarHBondContact O-N 3.41Å; W546-T549 VanDerWaalsContact O-N 3.08Å; T549-R551 VanDerWaalsContact C-N 3.35Å; T549-R551 PolarHBondContact O-N 3.35Å; T549-K552 CarbonylContact O-C 3.54Å; T549-K552 PolarHBondContact O-N 2.99Å; T549-K552 VanDerWaalsContact O-N 3.13Å; T549-G553 PolarHBondContact O-N 3.37Å; T549-L639 HydrophobicContact CG2-CD2 3.96Å; T549-L645 HydrophobicContact CG2-CD1 4.06Å; T549-L645 HydrophobicContact CG2-CD2 4.26Å; T549-L645 WeakPolarHBondContact OG1-CD2 3.42Å
550	V	96.9	Very high	95.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.5	-48.7	172.9	172.7	0	0	0	0	109.9	W546 M547 K552 G553 Y554 W562 F598 I602 L639	W546-V550 HydrophobicContact CD2-CG2 3.94Å; W546-V550 HydrophobicContact CE3-CG2 4.38Å; W546-V550 HydrophobicContact CG-CG2 4.42Å; W546-V550 HydrophobicContact CH2-CG2 4.2Å; W546-V550 HydrophobicContact CZ2-CG2 3.77Å; W546-V550 HydrophobicContact CZ3-CG2 4.5Å; W546-V550 WeakPolarHBondContact O-CG2 3.15Å; W546-V550 PolarHBondContact O-N 3.41Å; M547-V550 PolarHBondContact O-N 2.84Å; V550-K552 VanDerWaalsContact C-N 3.31Å; V550-K552 PolarHBondContact O-N 2.65Å; V550-G553 PolarHBondContact O-N 3.02Å; V550-Y554 HydrophobicContact CG1-CD2 4.34Å; V550-Y554 HydrophobicContact CG1-CE2 3.99Å; V550-Y554 WeakPolarHBondContact O-CD2 3.46Å; V550-Y554 PolarHBondContact O-N 3.13Å; V550-W562 HydrophobicContact CG1-CZ3 3.84Å; V550-F598 HydrophobicContact CG1-CB 4.47Å; V550-F598 WeakPolarHBondContact CG1-O 3.38Å; V550-I602 HydrophobicContact CG1-CD1 4.4Å; V550-L639 HydrophobicContact CG2-CD1 4.12Å
551	R	96.1	Very high	95.9	Very high	77 Å²	77	30.9 Å²	30.9	29%	0.291	16%	0.158	S	C	.	.	H	α-helix	trans	-54.5	-44.1	174	176.4	-91	173.9	-161	-0.6	112.6	E516 I520 M547 Y548 T549 G553 Y554 W562	E516-R551 IonicContact OE2-CZ 3.36Å; E516-R551 VanDerWaalsContact OE2-CZ 3.28Å; E516-R551 IonicContact OE2-NE 3.24Å; E516-R551 PolarHBondContact OE2-NE 2.96Å; E516-R551 IonicContact OE2-NH2 3.3Å; E516-R551 PolarHBondContact OE2-NH2 2.78Å; I520-R551 HydrophobicContact CD1-CB 4.1Å; I520-R551 HydrophobicContact CD1-CG 4Å; I520-R551 HydrophobicContact CG1-CB 4.16Å; I520-R551 HydrophobicContact CG1-CG 4.27Å; M547-R551 PolarHBondContact O-N 3.02Å; M547-R551 VanDerWaalsContact O-N 3.12Å; Y548-R551 WeakPolarHBondContact O-CB 3.47Å; Y548-R551 PolarHBondContact O-N 2.96Å; T549-R551 VanDerWaalsContact C-N 3.35Å; T549-R551 PolarHBondContact O-N 3.35Å; R551-G553 VanDerWaalsContact C-N 3.3Å; R551-G553 PolarHBondContact O-N 3.4Å; R551-Y554 PolarHBondContact O-N 2.88Å; R551-W562 HydrophobicContact CB-CD2 3.68Å; R551-W562 HydrophobicContact CB-CE3 4.05Å; R551-W562 HydrophobicContact CB-CG 4Å; R551-W562 HydrophobicContact CB-CZ2 4.3Å; R551-W562 HydrophobicContact CG-CB 4.12Å; R551-W562 VanDerWaalsContact CG-CD1 3.47Å; R551-W562 HydrophobicContact CG-CD2 3.75Å; R551-W562 HydrophobicContact CG-CG 3.49Å; R551-W562 VanDerWaalsContact CG-CG 3.49Å
552	K	94.8	Very high	96.2	Very high	49 Å²	49	29.9 Å²	29.9	21%	0.213	15%	0.153	C	C	.	.	H	α-helix	trans	-70.3	-24.7	178.6	-75.1	-179	68.2	177.3	0	113.3	Q455 T456 K457 E462 Y548 T549 V550 Y554	Q455-K552 WeakPolarHBondContact O-CE 3.14Å; Q455-K552 PolarHBondContact O-NZ 3.3Å; T456-K552 VanDerWaalsContact O-CB 3.22Å; T456-K552 WeakPolarHBondContact O-CB 3.49Å; T456-K552 WeakPolarHBondContact O-CD 3.43Å; T456-K552 WeakPolarHBondContact O-CE 3.48Å; K457-K552 PolarHBondContact O-NZ 2.67Å; E462-K552 IonicContact OE1-NZ 3.06Å; E462-K552 IonicContact OE2-NZ 3.93Å; E462-K552 PolarHBondContact OE2-NZ 3.06Å; Y548-K552 HydrophobicContact CD1-CD 3.93Å; Y548-K552 HydrophobicContact CD1-CG 4.12Å; Y548-K552 HydrophobicContact CE1-CD 3.9Å; Y548-K552 HydrophobicContact CE1-CG 4.12Å; Y548-K552 PolarHBondContact O-N 2.74Å; T549-K552 CarbonylContact O-C 3.54Å; T549-K552 PolarHBondContact O-N 2.99Å; T549-K552 VanDerWaalsContact O-N 3.13Å; V550-K552 VanDerWaalsContact C-N 3.31Å; V550-K552 PolarHBondContact O-N 2.65Å; K552-Y554 VanDerWaalsContact C-N 3.33Å
553	G	94.5	Very high	96.3	Very high	4 Å²	4	31.9 Å²	31.9	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-74.2	-21.7	174.9	0	0	0	0	0	113.7	T549 V550 R551 D603	T549-G553 PolarHBondContact O-N 3.37Å; V550-G553 PolarHBondContact O-N 3.02Å; R551-G553 VanDerWaalsContact C-N 3.3Å; R551-G553 PolarHBondContact O-N 3.4Å; G553-D603 PolarHBondContact O-N 3.3Å; G553-D603 VanDerWaalsContact O-N 3.11Å
554	Y	97.1	Very high	96.3	Very high	15 Å²	15	32.3 Å²	32.3	6%	0.059	16%	0.161	C	C	.	.	S	Bend	trans	-74.1	139.1	169.8	-83.1	-91.1	0	0	0	111.3	V550 R551 K552 N561 W562 F598 D601 I602	V550-Y554 HydrophobicContact CG1-CD2 4.34Å; V550-Y554 HydrophobicContact CG1-CE2 3.99Å; V550-Y554 WeakPolarHBondContact O-CD2 3.46Å; V550-Y554 PolarHBondContact O-N 3.13Å; R551-Y554 PolarHBondContact O-N 2.88Å; K552-Y554 VanDerWaalsContact C-N 3.33Å; Y554-N561 VanDerWaalsContact CD1-C 3.43Å; Y554-N561 WeakPolarHBondContact CD1-O 3.34Å; Y554-W562 AromaticContact CD2-CE3 3.84Å; Y554-W562 HydrophobicContact CD2-CE3 3.84Å; Y554-W562 HydrophobicContact CE2-CE3 4.1Å; Y554-W562 HydrophobicContact CE2-CZ3 4.43Å; Y554-W562 HydrophobicContact CG-CB 4.41Å; Y554-F598 VanDerWaalsContact CE2-O 3.23Å; Y554-F598 WeakPolarHBondContact CE2-O 3.49Å; Y554-F598 PolarHBondContact OH-O 3.1Å; Y554-D601 VanDerWaalsContact CE1-C 3.48Å; Y554-D601 HydrophobicContact CE1-CB 3.83Å; Y554-D601 VanDerWaalsContact CE1-O 3.28Å; Y554-D601 WeakPolarHBondContact CE1-O 3.35Å; Y554-D601 PolarHBondContact OH-N 2.74Å; Y554-I602 HydrophobicContact CD2-CG1 4.34Å; Y554-I602 HydrophobicContact CE2-CB 4.19Å; Y554-I602 HydrophobicContact CE2-CG1 4.35Å
555	R	95.5	Very high	96.4	Very high	106 Å²	106	32.3 Å²	32.3	40%	0.4	16%	0.161	S	C	.	.			trans	-81.1	153.2	179	-60	-162.8	179.4	-135.5	-8.7	111.6	I557 N561 D603 H604	R555-I557 HydrophobicContact CB-CG1 4.4Å; R555-I557 HydrophobicContact CB-CG2 4.12Å; R555-I557 PolarHBondContact O-N 2.82Å; R555-N561 WeakPolarHBondContact O-CB 3.47Å; R555-D603 IonicContact CZ-OD1 3.61Å; R555-D603 IonicContact NE-OD1 2.92Å; R555-D603 PolarHBondContact NE-OD1 3.33Å; R555-D603 IonicContact NH2-OD1 2.69Å; R555-D603 PolarHBondContact NH2-OD1 3.49Å; R555-D603 IonicContact NH2-OD2 3.25Å; R555-H604 VanDerWaalsContact CD-O 3.23Å; R555-H604 WeakPolarHBondContact CD-O 3.33Å
556	A	94.6	Very high	96.6	Very high	113 Å²	113	31.2 Å²	31.2	93%	0.934	16%	0.157	S	C	*	.			trans	-79.3	74.1	169.9	0	0	0	0	0	110.3
557	I	95.3	Very high	96.6	Very high	40 Å²	40	32 Å²	32	21%	0.205	16%	0.162	C	C	.	.			trans	-120.1	169	175.5	59.3	173.8	0	0	0	111.1	R555 H560 N561 H604	R555-I557 HydrophobicContact CB-CG1 4.4Å; R555-I557 HydrophobicContact CB-CG2 4.12Å; R555-I557 PolarHBondContact O-N 2.82Å; I557-H560 HydrophobicContact CD1-CB 3.85Å; I557-H560 WeakPolarHBondContact CD1-O 3.48Å; I557-H560 WeakPolarHBondContact CG1-O 3.5Å; I557-N561 WeakPolarHBondContact O-CB 3.33Å; I557-N561 PolarHBondContact O-ND2 3.46Å; I557-H604 HydrophobicContact CD1-CB 4.4Å; I557-H604 WeakPolarHBondContact CD1-O 3.23Å
558	T	95.4	Very high	96.7	Very high	45 Å²	45	32 Å²	32	28%	0.276	16%	0.162	S	C	.	.	S	Bend	trans	-61.1	-51.8	-165.2	-56.1	0	0	0	0	113.7	N561 M738 A741 E745	T558-N561 PolarHBondContact O-ND2 3.11Å; T558-M738 HydrophobicContact CG2-CB 4.16Å; T558-M738 WeakPolarHBondContact CG2-O 3.35Å; T558-A741 HydrophobicContact CG2-CB 4Å; T558-E745 PolarHBondContact OG1-OE1 3.49Å; T558-E745 VanDerWaalsContact OG1-OE1 3.12Å
559	Y	96.9	Very high	96.8	Very high	29 Å²	29	30.6 Å²	30.6	11%	0.114	16%	0.157	C	C	.	.	S	Bend	trans	-115.8	-52.5	179.7	173.2	-103.3	0	0	0	113.8	N561 H564 V735 V739 E742	Y559-N561 PolarHBondContact O-N 3.29Å; Y559-H564 AromaticContact CE1-ND1 3.81Å; Y559-H564 AromaticContact CZ-CE1 3.95Å; Y559-H564 AromaticContact CZ-ND1 3.41Å; Y559-H564 WeakPolarHBondContact O-CB 3.47Å; Y559-H564 PolarHBondContact OH-CE1 3.08Å; Y559-H564 PolarHBondContact OH-ND1 2.87Å; Y559-H564 VanDerWaalsContact OH-ND1 3.08Å; Y559-V735 HydrophobicContact CD2-CG1 3.95Å; Y559-V735 HydrophobicContact CE2-CG1 3.43Å; Y559-V735 VanDerWaalsContact CE2-CG1 3.43Å; Y559-V739 HydrophobicContact CD1-CG2 3.71Å; Y559-V739 HydrophobicContact CD2-CG2 3.43Å; Y559-V739 VanDerWaalsContact CD2-CG2 3.43Å; Y559-V739 HydrophobicContact CE1-CG2 3.84Å; Y559-V739 HydrophobicContact CE2-CG2 3.58Å; Y559-V739 HydrophobicContact CG-CG2 3.48Å; Y559-V739 VanDerWaalsContact CG-CG2 3.48Å; Y559-E742 VanDerWaalsContact CA-OE2 3.28Å; Y559-E742 WeakPolarHBondContact CA-OE2 3.46Å; Y559-E742 WeakPolarHBondContact CB-OE2 3.27Å; Y559-E742 PolarHBondContact N-OE2 2.98Å
560	H	97.9	Very high	96.9	Very high	40 Å²	40	30.5 Å²	30.5	19%	0.185	16%	0.156	C	C	.	.	S	Bend	trans	-76.3	60.9	-176.1	-57.5	96.1	0	0	0	112.9	I557 D601 H604 E742	I557-H560 HydrophobicContact CD1-CB 3.85Å; I557-H560 WeakPolarHBondContact CD1-O 3.48Å; I557-H560 WeakPolarHBondContact CG1-O 3.5Å; H560-D601 IonicContact CD2-OD2 3.72Å; H560-D601 PolarHBondContact CD2-OD2 3.41Å; H560-D601 VanDerWaalsContact CD2-OD2 3.27Å; H560-H604 HydrophobicContact CB-CB 3.84Å; H560-H604 WeakPolarHBondContact CB-ND1 3.37Å; H560-H604 AromaticContact CE1-CE1 3.97Å; H560-H604 AromaticContact CG-CE1 3.8Å; H560-H604 AromaticContact CG-CG 3.98Å; H560-H604 AromaticContact CG-ND1 3.57Å; H560-H604 AromaticContact ND1-CE1 3.54Å; H560-H604 AromaticContact ND1-ND1 3.63Å; H560-E742 IonicContact CE1-OE1 3.88Å; H560-E742 IonicContact CG-OE1 3.35Å; H560-E742 PolarHBondContact N-OE2 3.1Å; H560-E742 VanDerWaalsContact N-OE2 3.09Å; H560-E742 VanDerWaalsContact ND1-CD 3.28Å; H560-E742 IonicContact ND1-OE1 2.76Å; H560-E742 PolarHBondContact ND1-OE1 3.34Å; H560-E742 IonicContact ND1-OE2 2.77Å; H560-E742 PolarHBondContact ND1-OE2 2.66Å
561	N	97.1	Very high	97	Very high	28 Å²	28	30.6 Å²	30.6	15%	0.15	16%	0.156	C	C	.	.	S	Bend	trans	-116.7	-174	-179.2	63.5	45	0	0	0	111.5	Y554 R555 I557 T558 Y559 R563 H564 G565	Y554-N561 VanDerWaalsContact CD1-C 3.43Å; Y554-N561 WeakPolarHBondContact CD1-O 3.34Å; R555-N561 WeakPolarHBondContact O-CB 3.47Å; I557-N561 WeakPolarHBondContact O-CB 3.33Å; I557-N561 PolarHBondContact O-ND2 3.46Å; T558-N561 PolarHBondContact O-ND2 3.11Å; Y559-N561 PolarHBondContact O-N 3.29Å; N561-R563 PolarHBondContact O-N 3.45Å; N561-R563 VanDerWaalsContact O-N 3.17Å; N561-R563 WeakPolarHBondContact OD1-CB 3.46Å; N561-R563 PolarHBondContact OD1-N 2.98Å; N561-H564 WeakPolarHBondContact O-CB 3.28Å; N561-H564 PolarHBondContact O-N 3.09Å; N561-H564 VanDerWaalsContact O-N 3.08Å; N561-G565 PolarHBondContact O-N 3.34Å; N561-G565 VanDerWaalsContact O-N 3.15Å
562	W	97.9	Very high	97.1	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.019	14%	0.142	C	C	.	.	H	α-helix	trans	-55.4	-34.6	-177.7	171.3	-122.1	0	0	0	113.8	I520 M547 V550 R551 Y554 H564 G565 F566 F598	I520-W562 HydrophobicContact CG1-CZ2 4.33Å; M547-W562 HydrophobicContact SD-CH2 3.52Å; M547-W562 VanDerWaalsContact SD-CH2 3.52Å; M547-W562 HydrophobicContact SD-CZ2 4.07Å; V550-W562 HydrophobicContact CG1-CZ3 3.84Å; R551-W562 HydrophobicContact CB-CD2 3.68Å; R551-W562 HydrophobicContact CB-CE3 4.05Å; R551-W562 HydrophobicContact CB-CG 4Å; R551-W562 HydrophobicContact CB-CZ2 4.3Å; R551-W562 HydrophobicContact CG-CB 4.12Å; R551-W562 VanDerWaalsContact CG-CD1 3.47Å; R551-W562 HydrophobicContact CG-CD2 3.75Å; R551-W562 HydrophobicContact CG-CG 3.49Å; R551-W562 VanDerWaalsContact CG-CG 3.49Å; Y554-W562 AromaticContact CD2-CE3 3.84Å; Y554-W562 HydrophobicContact CD2-CE3 3.84Å; Y554-W562 HydrophobicContact CE2-CE3 4.1Å; Y554-W562 HydrophobicContact CE2-CZ3 4.43Å; Y554-W562 HydrophobicContact CG-CB 4.41Å; W562-H564 VanDerWaalsContact C-N 3.34Å; W562-H564 PolarHBondContact O-N 3.37Å; W562-G565 PolarHBondContact O-N 3.5Å; W562-F566 HydrophobicContact CH2-CB 4.37Å; W562-F566 HydrophobicContact CH2-CD2 4.41Å; W562-F566 HydrophobicContact CZ2-CB 4.14Å; W562-F566 AromaticContact CZ2-CD2 3.99Å; W562-F566 HydrophobicContact CZ2-CD2 3.99Å; W562-F566 WeakPolarHBondContact O-CB 3.37Å; W562-F566 PolarHBondContact O-N 3.28Å; W562-F598 AromaticContact CH2-CD1 3.86Å; W562-F598 HydrophobicContact CH2-CD1 3.86Å; W562-F598 HydrophobicContact CH2-CE1 4.18Å; W562-F598 HydrophobicContact CZ3-CD1 4.12Å
563	R	97.6	Very high	97.2	Very high	55 Å²	55	24.6 Å²	24.6	21%	0.208	13%	0.132	C	C	.	.	H	α-helix	trans	-66.1	-38.2	179.3	-69.8	-179.4	169	-80.5	-1.4	111.9	D511 V514 L519 N561 N567	D511-R563 VanDerWaalsContact C-NH1 3.3Å; D511-R563 PolarHBondContact O-NH1 2.92Å; D511-R563 WeakPolarHBondContact OD2-CB 3.33Å; D511-R563 VanDerWaalsContact OD2-CD 3.26Å; D511-R563 WeakPolarHBondContact OD2-CD 3.27Å; D511-R563 WeakPolarHBondContact OD2-CG 3.13Å; D511-R563 IonicContact OD2-CZ 3.25Å; D511-R563 IonicContact OD2-NE 2.92Å; D511-R563 IonicContact OD2-NH1 2.77Å; D511-R563 PolarHBondContact OD2-NH1 3.4Å; V514-R563 PolarHBondContact O-NH1 3.28Å; V514-R563 PolarHBondContact O-NH2 2.87Å; L519-R563 HydrophobicContact CD1-CG 4.1Å; N561-R563 PolarHBondContact O-N 3.45Å; N561-R563 VanDerWaalsContact O-N 3.17Å; N561-R563 WeakPolarHBondContact OD1-CB 3.46Å; N561-R563 PolarHBondContact OD1-N 2.98Å; R563-N567 WeakPolarHBondContact O-CB 3.4Å; R563-N567 PolarHBondContact O-N 3.04Å; R563-N567 PolarHBondContact O-ND2 3.16Å
564	H	97.9	Very high	97.4	Very high	10 Å²	10	24.4 Å²	24.4	5%	0.046	13%	0.13	C	C	.	.	H	α-helix	trans	-63.9	-53.7	172.5	172.3	67.1	0	0	0	110.4	Y559 N561 W562 F566 N567 V568 H600 D601 D721	Y559-H564 AromaticContact CE1-ND1 3.81Å; Y559-H564 AromaticContact CZ-CE1 3.95Å; Y559-H564 AromaticContact CZ-ND1 3.41Å; Y559-H564 WeakPolarHBondContact O-CB 3.47Å; Y559-H564 PolarHBondContact OH-CE1 3.08Å; Y559-H564 PolarHBondContact OH-ND1 2.87Å; Y559-H564 VanDerWaalsContact OH-ND1 3.08Å; N561-H564 WeakPolarHBondContact O-CB 3.28Å; N561-H564 PolarHBondContact O-N 3.09Å; N561-H564 VanDerWaalsContact O-N 3.08Å; W562-H564 VanDerWaalsContact C-N 3.34Å; W562-H564 PolarHBondContact O-N 3.37Å; H564-F566 VanDerWaalsContact C-N 3.27Å; H564-F566 PolarHBondContact O-N 3.15Å; H564-N567 PolarHBondContact O-N 3.48Å; H564-V568 VanDerWaalsContact CE1-CG2 3.48Å; H564-V568 WeakPolarHBondContact CE1-CG2 3.43Å; H564-V568 WeakPolarHBondContact O-CG2 3.38Å; H564-V568 PolarHBondContact O-N 3.19Å; H564-H600 AromaticContact CD2-CE1 3.9Å; H564-H600 AromaticContact CD2-NE2 3.92Å; H564-H600 AromaticContact NE2-CE1 3.46Å; H564-H600 PolarHBondContact NE2-CE1 2.97Å; H564-H600 AromaticContact NE2-NE2 3.17Å; H564-H600 PolarHBondContact NE2-NE2 3.29Å; H564-H600 VanDerWaalsContact NE2-NE2 3.17Å; H564-D601 IonicContact CD2-OD2 2.7Å; H564-D601 PolarHBondContact CD2-OD2 2.82Å; H564-D601 IonicContact NE2-OD2 3.45Å; H564-D601 PolarHBondContact NE2-OD2 3.36Å; H564-D721 IonicContact CE1-OD1 3.36Å; H564-D721 PolarHBondContact CE1-OD1 2.95Å; H564-D721 IonicContact NE2-OD1 2.9Å
565	G	97.9	Very high	97.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-54.5	-41.5	177.6	0	0	0	0	0	113.4	N561 W562 G569	N561-G565 PolarHBondContact O-N 3.34Å; N561-G565 VanDerWaalsContact O-N 3.15Å; W562-G565 PolarHBondContact O-N 3.5Å; G565-G569 PolarHBondContact O-N 2.74Å; G565-G569 VanDerWaalsContact O-N 3.08Å
566	F	98.5	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-48.4	174.6	177.8	-88.1	0	0	0	112.5	F509 L519 A522 M526 W562 H564 V568 G569 H570 F598	F509-F566 HydrophobicContact CE1-CD1 4.41Å; F509-F566 AromaticContact CE1-CE1 3.67Å; F509-F566 HydrophobicContact CE1-CE1 3.67Å; F509-F566 AromaticContact CZ-CE1 3.96Å; F509-F566 HydrophobicContact CZ-CE1 3.96Å; L519-F566 HydrophobicContact CB-CD2 3.92Å; L519-F566 HydrophobicContact CB-CE2 4.11Å; L519-F566 HydrophobicContact CB-CG 4.14Å; L519-F566 HydrophobicContact CB-CZ 4.49Å; L519-F566 HydrophobicContact CD1-CD1 4.4Å; L519-F566 HydrophobicContact CD1-CG 4.39Å; L519-F566 HydrophobicContact CD2-CD1 3.78Å; L519-F566 HydrophobicContact CD2-CE1 3.6Å; L519-F566 HydrophobicContact CD2-CE2 4.35Å; L519-F566 HydrophobicContact CD2-CG 4.25Å; L519-F566 HydrophobicContact CD2-CZ 3.88Å; L519-F566 HydrophobicContact CG-CD1 4.46Å; L519-F566 HydrophobicContact CG-CG 4.49Å; L519-F566 WeakPolarHBondContact O-CE2 3.25Å; A522-F566 HydrophobicContact CB-CE2 3.99Å; A522-F566 HydrophobicContact CB-CZ 3.79Å; M526-F566 HydrophobicContact CE-CE1 4.16Å; M526-F566 HydrophobicContact CE-CE2 3.71Å; M526-F566 HydrophobicContact CE-CZ 3.36Å; W562-F566 HydrophobicContact CH2-CB 4.37Å; W562-F566 HydrophobicContact CH2-CD2 4.41Å; W562-F566 HydrophobicContact CZ2-CB 4.14Å; W562-F566 AromaticContact CZ2-CD2 3.99Å; W562-F566 HydrophobicContact CZ2-CD2 3.99Å; W562-F566 WeakPolarHBondContact O-CB 3.37Å; W562-F566 PolarHBondContact O-N 3.28Å; H564-F566 VanDerWaalsContact C-N 3.27Å; H564-F566 PolarHBondContact O-N 3.15Å; F566-V568 VanDerWaalsContact C-N 3.28Å; F566-V568 PolarHBondContact O-N 2.67Å; F566-G569 PolarHBondContact O-N 3.46Å; F566-H570 HydrophobicContact CD1-CB 4.48Å; F566-H570 HydrophobicContact CE1-CB 4.12Å; F566-H570 WeakPolarHBondContact O-CB 3.36Å; F566-H570 PolarHBondContact O-N 3.08Å; F566-F598 AromaticContact CD2-CE1 3.79Å; F566-F598 HydrophobicContact CD2-CE1 3.79Å; F566-F598 HydrophobicContact CE2-CE1 4.36Å; F566-F598 HydrophobicContact CG-CE1 4.41Å
567	N	98.1	Very high	97.5	Very high	24 Å²	24	15.9 Å²	15.9	13%	0.128	8%	0.076	C	C	.	.	H	α-helix	trans	-62.6	-35.2	-179.2	-87.3	-61.3	0	0	0	112.2	D511 R563 H564 H570 T571	D511-N567 PolarHBondContact OD1-ND2 3.41Å; R563-N567 WeakPolarHBondContact O-CB 3.4Å; R563-N567 PolarHBondContact O-N 3.04Å; R563-N567 PolarHBondContact O-ND2 3.16Å; H564-N567 PolarHBondContact O-N 3.48Å; N567-H570 PolarHBondContact O-N 3.17Å; N567-T571 WeakPolarHBondContact O-CB 3.47Å; N567-T571 PolarHBondContact O-N 2.75Å; N567-T571 PolarHBondContact O-OG1 3.37Å
568	V	98.5	Very high	97.5	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-67.4	-45.4	174.3	178.7	0	0	0	0	110.9	H564 F566 H570 T571 M572 A597 M717 C720	H564-V568 VanDerWaalsContact CE1-CG2 3.48Å; H564-V568 WeakPolarHBondContact CE1-CG2 3.43Å; H564-V568 WeakPolarHBondContact O-CG2 3.38Å; H564-V568 PolarHBondContact O-N 3.19Å; F566-V568 VanDerWaalsContact C-N 3.28Å; F566-V568 PolarHBondContact O-N 2.67Å; V568-H570 PolarHBondContact O-N 3.11Å; V568-T571 PolarHBondContact O-N 3Å; V568-M572 PolarHBondContact O-N 3.44Å; V568-A597 HydrophobicContact CG1-CB 4.21Å; V568-M717 HydrophobicContact CG1-SD 4.22Å; V568-C720 HydrophobicContact CG1-CB 3.8Å
569	G	98.2	Very high	97.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58.4	-44.4	172.1	0	0	0	0	0	113.3	G565 F566 M572 F573	G565-G569 PolarHBondContact O-N 2.74Å; G565-G569 VanDerWaalsContact O-N 3.08Å; F566-G569 PolarHBondContact O-N 3.46Å; G569-M572 WeakPolarHBondContact O-CB 3.31Å; G569-M572 PolarHBondContact O-N 3.32Å; G569-F573 PolarHBondContact O-N 2.97Å
570	H	98.2	Very high	97.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.5	-49.1	174.7	170.4	-90.7	0	0	0	111.8	L504 N506 F509 M526 F566 N567 V568 M572 F573 C574	L504-H570 PolarHBondContact O-NE2 3.04Å; L504-H570 VanDerWaalsContact O-NE2 3.13Å; N506-H570 PolarHBondContact O-CE1 3.23Å; F509-H570 WeakPolarHBondContact CB-CE1 3.34Å; F509-H570 AromaticContact CG-CE1 3.78Å; F509-H570 AromaticContact CG-NE2 3.63Å; M526-H570 HydrophobicContact CE-CB 3.78Å; M526-H570 HydrophobicContact SD-CB 4.42Å; F566-H570 HydrophobicContact CD1-CB 4.48Å; F566-H570 HydrophobicContact CE1-CB 4.12Å; F566-H570 WeakPolarHBondContact O-CB 3.36Å; F566-H570 PolarHBondContact O-N 3.08Å; N567-H570 PolarHBondContact O-N 3.17Å; V568-H570 PolarHBondContact O-N 3.11Å; H570-M572 VanDerWaalsContact C-N 3.28Å; H570-M572 PolarHBondContact O-N 2.87Å; H570-F573 CarbonylContact O-C 3.52Å; H570-F573 WeakPolarHBondContact O-CA 3.36Å; H570-F573 WeakPolarHBondContact O-CB 3.39Å; H570-F573 PolarHBondContact O-N 2.92Å; H570-F573 VanDerWaalsContact O-N 3.09Å; H570-C574 PolarHBondContact CE1-SG 3.39Å; H570-C574 PolarHBondContact NE2-SG 3.02Å; H570-C574 VanDerWaalsContact NE2-SG 3.44Å; H570-C574 PolarHBondContact O-N 3.27Å; H570-C574 PolarHBondContact O-SG 3.4Å; H570-C574 VanDerWaalsContact O-SG 3.39Å
571	T	98.3	Very high	97.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-63.5	-37.5	179.5	-61.7	0	0	0	0	111.1	N567 V568 F573 C574 L575 C720 S723 M799	N567-T571 WeakPolarHBondContact O-CB 3.47Å; N567-T571 PolarHBondContact O-N 2.75Å; N567-T571 PolarHBondContact O-OG1 3.37Å; V568-T571 PolarHBondContact O-N 3Å; T571-F573 VanDerWaalsContact C-N 3.33Å; T571-F573 PolarHBondContact O-N 2.94Å; T571-C574 PolarHBondContact O-N 3.3Å; T571-L575 HydrophobicContact CG2-CG 4.38Å; T571-L575 WeakPolarHBondContact O-CB 3.28Å; T571-L575 WeakPolarHBondContact O-CG 3.44Å; T571-L575 PolarHBondContact O-N 3.46Å; T571-C720 HydrophobicContact CG2-CB 4.23Å; T571-S723 WeakPolarHBondContact OG1-CB 3.49Å; T571-S723 PolarHBondContact OG1-OG 3.2Å; T571-M799 HydrophobicContact CG2-CE 3.99Å
572	M	98.5	Very high	97.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.6	-43.6	173	-174	59.7	76.9	0	0	111.3	V568 G569 H570 L575 L576 M593 V594 A597 M716 M717 C720	V568-M572 PolarHBondContact O-N 3.44Å; G569-M572 WeakPolarHBondContact O-CB 3.31Å; G569-M572 PolarHBondContact O-N 3.32Å; H570-M572 VanDerWaalsContact C-N 3.28Å; H570-M572 PolarHBondContact O-N 2.87Å; M572-L575 PolarHBondContact O-N 3.42Å; M572-L576 HydrophobicContact CG-CD1 4.31Å; M572-L576 WeakPolarHBondContact O-CG 3.44Å; M572-L576 PolarHBondContact O-N 3.14Å; M572-L576 VanDerWaalsContact O-N 3.11Å; M572-M593 HydrophobicContact CE-CE 4.24Å; M572-M593 HydrophobicContact CG-CB 4.31Å; M572-M593 HydrophobicContact SD-CB 4.34Å; M572-M593 HydrophobicContact SD-CE 3.58Å; M572-M593 VanDerWaalsContact SD-CE 3.58Å; M572-V594 HydrophobicContact CB-CG2 4.38Å; M572-V594 HydrophobicContact CG-CG2 3.87Å; M572-A597 HydrophobicContact CB-CB 3.95Å; M572-A597 HydrophobicContact CG-CB 4.3Å; M572-M716 HydrophobicContact CE-CB 4.25Å; M572-M716 HydrophobicContact SD-CB 4.49Å; M572-M716 HydrophobicContact SD-CE 3.79Å; M572-M717 HydrophobicContact CE-CB 4.27Å; M572-M717 HydrophobicContact CE-CE 3.77Å; M572-M717 HydrophobicContact CE-SD 3.86Å; M572-C720 WeakPolarHBondContact CA-SG 3.44Å; M572-C720 PolarHBondContact N-SG 2.98Å; M572-C720 VanDerWaalsContact N-SG 3.36Å
573	F	98.3	Very high	97	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.5	-47.8	173.2	169.4	-95.8	0	0	0	112.4	L504 Y505 M526 E529 L530 G569 H570 T571 L575 L576 Q577	L504-F573 HydrophobicContact CB-CE1 4.32Å; L504-F573 WeakPolarHBondContact O-CE1 3.3Å; Y505-F573 HydrophobicContact CD1-CE1 4.02Å; Y505-F573 HydrophobicContact CD1-CZ 4.18Å; Y505-F573 HydrophobicContact CE1-CE1 4.03Å; Y505-F573 AromaticContact CE1-CZ 3.72Å; Y505-F573 HydrophobicContact CE1-CZ 3.72Å; M526-F573 HydrophobicContact CB-CD2 3.79Å; M526-F573 HydrophobicContact CB-CE2 4.11Å; M526-F573 HydrophobicContact CB-CG 4.13Å; M526-F573 HydrophobicContact CG-CB 4.33Å; M526-F573 HydrophobicContact CG-CD1 4.11Å; M526-F573 HydrophobicContact CG-CD2 4.04Å; M526-F573 HydrophobicContact CG-CE1 4.44Å; M526-F573 HydrophobicContact CG-CE2 4.36Å; M526-F573 HydrophobicContact CG-CG 3.9Å; M526-F573 HydrophobicContact SD-CB 3.92Å; M526-F573 HydrophobicContact SD-CD1 4.41Å; M526-F573 HydrophobicContact SD-CG 4.11Å; E529-F573 HydrophobicContact CB-CE2 3.79Å; E529-F573 HydrophobicContact CB-CZ 3.81Å; E529-F573 HydrophobicContact CG-CZ 4.45Å; L530-F573 HydrophobicContact CD1-CD2 4.49Å; L530-F573 HydrophobicContact CD2-CD2 4.15Å; L530-F573 HydrophobicContact CD2-CE2 4.42Å; L530-F573 HydrophobicContact CG-CD2 4.04Å; L530-F573 HydrophobicContact CG-CE2 4.22Å; G569-F573 PolarHBondContact O-N 2.97Å; H570-F573 CarbonylContact O-C 3.52Å; H570-F573 WeakPolarHBondContact O-CA 3.36Å; H570-F573 WeakPolarHBondContact O-CB 3.39Å; H570-F573 PolarHBondContact O-N 2.92Å; H570-F573 VanDerWaalsContact O-N 3.09Å; T571-F573 VanDerWaalsContact C-N 3.33Å; T571-F573 PolarHBondContact O-N 2.94Å; F573-L575 PolarHBondContact O-N 3.11Å; F573-L576 PolarHBondContact O-N 3.05Å; F573-Q577 HydrophobicContact CD2-CG 4.01Å; F573-Q577 HydrophobicContact CE1-CG 4.44Å; F573-Q577 HydrophobicContact CE2-CG 3.68Å; F573-Q577 HydrophobicContact CZ-CG 3.92Å; F573-Q577 WeakPolarHBondContact O-CG 3.45Å; F573-Q577 PolarHBondContact O-N 3.31Å
574	C	97.7	Very high	96.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.6	-41.5	177.7	-63.3	0	0	0	0	112.4	L504 F507 H570 T571 L576 Q577 T578 G579	L504-C574 PolarHBondContact O-SG 3.21Å; F507-C574 HydrophobicContact CD1-CB 3.7Å; F507-C574 HydrophobicContact CE1-CB 3.43Å; F507-C574 VanDerWaalsContact CE1-CB 3.43Å; F507-C574 HydrophobicContact CZ-CB 4.12Å; H570-C574 PolarHBondContact CE1-SG 3.39Å; H570-C574 PolarHBondContact NE2-SG 3.02Å; H570-C574 VanDerWaalsContact NE2-SG 3.44Å; H570-C574 PolarHBondContact O-N 3.27Å; H570-C574 PolarHBondContact O-SG 3.4Å; H570-C574 VanDerWaalsContact O-SG 3.39Å; T571-C574 PolarHBondContact O-N 3.3Å; C574-L576 VanDerWaalsContact C-N 3.3Å; C574-L576 PolarHBondContact O-N 2.85Å; C574-Q577 PolarHBondContact O-N 3.28Å; C574-T578 CarbonylContact O-C 3.58Å; C574-T578 WeakPolarHBondContact O-CA 3.43Å; C574-T578 WeakPolarHBondContact O-CB 3.13Å; C574-T578 PolarHBondContact O-N 2.64Å; C574-G579 PolarHBondContact O-N 2.88Å
575	L	97.9	Very high	96.8	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.026	9%	0.085	C	C	.	.	H	α-helix	trans	-61.1	-40.9	177.3	-78.7	-176.4	0	0	0	111.7	F507 T571 M572 F573 G579 K580 L581 M716 C720 I796 M799	F507-L575 HydrophobicContact CE1-CD2 3.91Å; F507-L575 HydrophobicContact CE1-CG 4.28Å; F507-L575 HydrophobicContact CZ-CD2 4.17Å; T571-L575 HydrophobicContact CG2-CG 4.38Å; T571-L575 WeakPolarHBondContact O-CB 3.28Å; T571-L575 WeakPolarHBondContact O-CG 3.44Å; T571-L575 PolarHBondContact O-N 3.46Å; M572-L575 PolarHBondContact O-N 3.42Å; F573-L575 PolarHBondContact O-N 3.11Å; L575-G579 CarbonylContact O-C 3.57Å; L575-G579 VanDerWaalsContact O-CA 3.23Å; L575-G579 WeakPolarHBondContact O-CA 3.42Å; L575-G579 PolarHBondContact O-N 3.07Å; L575-K580 PolarHBondContact O-N 3.14Å; L575-L581 HydrophobicContact CB-CD1 4.18Å; L575-L581 HydrophobicContact CD2-CD1 4.3Å; L575-L581 WeakPolarHBondContact O-CB 3.19Å; L575-L581 PolarHBondContact O-N 3.2Å; L575-M716 HydrophobicContact CB-CE 3.93Å; L575-M716 HydrophobicContact CD1-CB 4.36Å; L575-M716 HydrophobicContact CD1-CE 4.22Å; L575-M716 HydrophobicContact CD1-CG 4.43Å; L575-C720 WeakPolarHBondContact CD1-SG 3.34Å; L575-I796 HydrophobicContact CD2-CD1 3.85Å; L575-I796 HydrophobicContact CD2-CG1 4.1Å; L575-I796 HydrophobicContact CD2-CG2 4.37Å; L575-M799 HydrophobicContact CD2-SD 4.19Å
576	L	97.5	Very high	96.7	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-69	-45.5	177.8	-70.4	169.9	0	0	0	112	M572 F573 C574 L581 R582 Y585 A590 M593 V594 M716	M572-L576 HydrophobicContact CG-CD1 4.31Å; M572-L576 WeakPolarHBondContact O-CG 3.44Å; M572-L576 PolarHBondContact O-N 3.14Å; M572-L576 VanDerWaalsContact O-N 3.11Å; F573-L576 PolarHBondContact O-N 3.05Å; C574-L576 VanDerWaalsContact C-N 3.3Å; C574-L576 PolarHBondContact O-N 2.85Å; L576-L581 PolarHBondContact O-N 3.19Å; L576-R582 HydrophobicContact CB-CB 4.3Å; L576-R582 HydrophobicContact CD2-CB 4.38Å; L576-R582 WeakPolarHBondContact O-CB 3.26Å; L576-R582 PolarHBondContact O-N 3.38Å; L576-R582 VanDerWaalsContact O-N 3.16Å; L576-Y585 HydrophobicContact CD2-CD2 4.27Å; L576-A590 HydrophobicContact CD1-CB 4.01Å; L576-M593 HydrophobicContact CD2-CE 4.23Å; L576-V594 HydrophobicContact CD1-CG2 3.77Å; L576-M716 HydrophobicContact CD2-CE 4.13Å; L576-M716 HydrophobicContact CG-CE 4.41Å
577	Q	94.8	Very high	96.7	Very high	49 Å²	49	23 Å²	23	23%	0.229	11%	0.113	C	C	.	.	H	α-helix	trans	-87.5	-66.4	-174.5	-60.7	-74.2	35.5	0	0	112.5	Y505 E529 L530 F573 C574 K580	Y505-Q577 HydrophobicContact CD1-CB 4.43Å; Y505-Q577 HydrophobicContact CE1-CB 4.49Å; E529-Q577 PolarHBondContact O-NE2 3.44Å; L530-Q577 HydrophobicContact CD2-CG 4.39Å; F573-Q577 HydrophobicContact CD2-CG 4.01Å; F573-Q577 HydrophobicContact CE1-CG 4.44Å; F573-Q577 HydrophobicContact CE2-CG 3.68Å; F573-Q577 HydrophobicContact CZ-CG 3.92Å; F573-Q577 WeakPolarHBondContact O-CG 3.45Å; F573-Q577 PolarHBondContact O-N 3.31Å; C574-Q577 PolarHBondContact O-N 3.28Å; Q577-K580 PolarHBondContact O-N 2.9Å
578	T	95.4	Very high	96.6	Very high	49 Å²	49	22.7 Å²	22.7	30%	0.301	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-39.4	-177.3	-51.7	0	0	0	0	111.9	Y505 F507 C574 K580	Y505-T578 WeakPolarHBondContact O-CB 3.28Å; Y505-T578 WeakPolarHBondContact O-CG2 3.22Å; Y505-T578 PolarHBondContact O-OG1 3.46Å; F507-T578 HydrophobicContact CE2-CG2 3.96Å; C574-T578 CarbonylContact O-C 3.58Å; C574-T578 WeakPolarHBondContact O-CA 3.43Å; C574-T578 WeakPolarHBondContact O-CB 3.13Å; C574-T578 PolarHBondContact O-N 2.64Å; T578-K580 PolarHBondContact O-N 3.48Å
579	G	95	Very high	96.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-6.4	174.7	0	0	0	0	0	114.1	C574 L575 L581	C574-G579 PolarHBondContact O-N 2.88Å; L575-G579 CarbonylContact O-C 3.57Å; L575-G579 VanDerWaalsContact O-CA 3.23Å; L575-G579 WeakPolarHBondContact O-CA 3.42Å; L575-G579 PolarHBondContact O-N 3.07Å; G579-L581 PolarHBondContact O-N 3.33Å; G579-L581 VanDerWaalsContact O-N 3.12Å
580	K	94.9	Very high	96.5	Very high	110 Å²	110	23.3 Å²	23.3	48%	0.478	12%	0.115	S	C	.	.			trans	53.7	26.2	-179	-56	-175.7	-168.5	153	0	114.7	L575 Q577 T578 R582 K583 E795	L575-K580 PolarHBondContact O-N 3.14Å; Q577-K580 PolarHBondContact O-N 2.9Å; T578-K580 PolarHBondContact O-N 3.48Å; K580-R582 VanDerWaalsContact C-N 3.29Å; K580-K583 WeakPolarHBondContact O-CD 3.34Å; K580-K583 WeakPolarHBondContact O-CG 3.46Å; K580-E795 HydrophobicContact CD-CG 4.3Å; K580-E795 WeakPolarHBondContact CD-OE1 3.44Å; K580-E795 WeakPolarHBondContact CE-OE1 3.28Å; K580-E795 HydrophobicContact CG-CG 4.4Å; K580-E795 IonicContact NZ-OE1 2.68Å; K580-E795 PolarHBondContact NZ-OE1 3.46Å
581	L	95.3	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-77.2	-16.3	177.3	-69.6	173	0	0	0	112.7	L575 L576 G579 K583 Y584 Y585 M716 F789 F792 H793 I796	L575-L581 HydrophobicContact CB-CD1 4.18Å; L575-L581 HydrophobicContact CD2-CD1 4.3Å; L575-L581 WeakPolarHBondContact O-CB 3.19Å; L575-L581 PolarHBondContact O-N 3.2Å; L576-L581 PolarHBondContact O-N 3.19Å; G579-L581 PolarHBondContact O-N 3.33Å; G579-L581 VanDerWaalsContact O-N 3.12Å; L581-K583 PolarHBondContact O-N 3.38Å; L581-Y584 HydrophobicContact CD2-CD2 4.17Å; L581-Y584 HydrophobicContact CD2-CE2 3.82Å; L581-Y584 WeakPolarHBondContact O-CD2 3.39Å; L581-Y584 PolarHBondContact O-N 3.02Å; L581-Y585 WeakPolarHBondContact O-CD2 2.99Å; L581-M716 HydrophobicContact CB-CE 4.14Å; L581-M716 HydrophobicContact CB-SD 4.38Å; L581-M716 HydrophobicContact CD1-CE 3.7Å; L581-M716 HydrophobicContact CD1-CG 4.15Å; L581-M716 HydrophobicContact CD1-SD 3.77Å; L581-F789 HydrophobicContact CD1-CE1 4.43Å; L581-F792 HydrophobicContact CD2-CD1 4.34Å; L581-F792 HydrophobicContact CD2-CE1 3.9Å; L581-H793 WeakPolarHBondContact CD2-CD2 3.37Å; L581-H793 VanDerWaalsContact CD2-NE2 3.35Å; L581-H793 WeakPolarHBondContact CD2-NE2 3.19Å; L581-I796 HydrophobicContact CD1-CD1 3.86Å; L581-I796 HydrophobicContact CG-CD1 4.41Å
582	R	94.9	Very high	96.5	Very high	56 Å²	56	23.3 Å²	23.3	21%	0.211	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-55	-27.3	178.6	-177.2	174.6	178.8	171.1	2.8	113.5	L530 L576 K580 Y584 Y585 D587	L530-R582 PolarHBondContact O-NH1 3.33Å; L530-R582 VanDerWaalsContact O-NH1 3.16Å; L530-R582 PolarHBondContact O-NH2 3.4Å; L576-R582 HydrophobicContact CB-CB 4.3Å; L576-R582 HydrophobicContact CD2-CB 4.38Å; L576-R582 WeakPolarHBondContact O-CB 3.26Å; L576-R582 PolarHBondContact O-N 3.38Å; L576-R582 VanDerWaalsContact O-N 3.16Å; K580-R582 VanDerWaalsContact C-N 3.29Å; R582-Y584 PolarHBondContact O-N 2.91Å; R582-Y584 VanDerWaalsContact O-N 3.09Å; R582-Y585 PolarHBondContact O-N 3.42Å; R582-D587 IonicContact CZ-OD1 2.71Å; R582-D587 IonicContact NE-OD1 2.74Å; R582-D587 PolarHBondContact NE-OD1 3.44Å; R582-D587 IonicContact NH2-OD1 2.96Å; R582-D587 PolarHBondContact NH2-OD1 2.92Å
583	K	93.9	Very high	96.5	Very high	68 Å²	68	23.3 Å²	23.3	30%	0.296	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-61.4	-17.5	-178.6	70.1	-167.5	-171.8	-174.7	0	115.1	K580 L581 E695 I699	K580-K583 WeakPolarHBondContact O-CD 3.34Å; K580-K583 WeakPolarHBondContact O-CG 3.46Å; L581-K583 PolarHBondContact O-N 3.38Å; K583-E695 IonicContact NZ-OE1 2.71Å; K583-E695 PolarHBondContact NZ-OE1 2.93Å; K583-I699 HydrophobicContact CB-CD1 4.31Å; K583-I699 HydrophobicContact CD-CD1 3.95Å; K583-I699 HydrophobicContact CD-CG1 4.17Å; K583-I699 HydrophobicContact CG-CD1 4.16Å; K583-I699 HydrophobicContact CG-CG1 4.14Å
584	Y	95.3	Very high	96.5	Very high	10 Å²	10	23.3 Å²	23.3	4%	0.039	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-91.7	-8.9	176.2	-52.5	-58.6	0	0	0	113.8	L581 R582 I699 I702 K709 F792 H793	L581-Y584 HydrophobicContact CD2-CD2 4.17Å; L581-Y584 HydrophobicContact CD2-CE2 3.82Å; L581-Y584 WeakPolarHBondContact O-CD2 3.39Å; L581-Y584 PolarHBondContact O-N 3.02Å; R582-Y584 PolarHBondContact O-N 2.91Å; R582-Y584 VanDerWaalsContact O-N 3.09Å; Y584-I699 HydrophobicContact CD1-CB 4.36Å; Y584-I699 HydrophobicContact CD1-CG1 4.11Å; Y584-I699 HydrophobicContact CD1-CG2 4.38Å; Y584-I699 HydrophobicContact CE1-CB 4.24Å; Y584-I699 HydrophobicContact CE1-CG1 3.68Å; Y584-I702 HydrophobicContact CD1-CB 3.99Å; Y584-I702 HydrophobicContact CD1-CD1 3.9Å; Y584-I702 HydrophobicContact CD1-CG2 4.12Å; Y584-I702 HydrophobicContact CE1-CB 4.47Å; Y584-I702 HydrophobicContact CE1-CD1 3.64Å; Y584-I702 HydrophobicContact CE2-CD1 4.31Å; Y584-I702 HydrophobicContact CG-CB 4.49Å; Y584-I702 HydrophobicContact CG-CD1 4.34Å; Y584-I702 HydrophobicContact CG-CG2 4.11Å; Y584-K709 WeakPolarHBondContact O-CE 3.44Å; Y584-K709 PolarHBondContact O-NZ 3.49Å; Y584-F792 HydrophobicContact CE2-CE1 4.12Å; Y584-F792 AromaticContact CE2-CZ 3.83Å; Y584-F792 HydrophobicContact CE2-CZ 3.83Å; Y584-F792 AromaticContact CZ-CZ 3.96Å; Y584-H793 AromaticContact CE2-CE1 3.88Å; Y584-H793 AromaticContact CE2-NE2 3.31Å; Y584-H793 VanDerWaalsContact CE2-NE2 3.31Å; Y584-H793 WeakPolarHBondContact CE2-NE2 3.36Å; Y584-H793 AromaticContact CZ-NE2 3.6Å; Y584-H793 PolarHBondContact OH-CE1 2.95Å; Y584-H793 PolarHBondContact OH-NE2 3.24Å
585	Y	96.4	Very high	96.6	Very high	16 Å²	16	23.3 Å²	23.3	6%	0.063	11%	0.114	C	C	.	.	S	Bend	trans	-122.9	149.4	-167.5	-66.3	-73.1	0	0	0	110.2	L576 L581 R582 D589 M593 K709 I712 M713 M716	L576-Y585 HydrophobicContact CD2-CD2 4.27Å; L581-Y585 WeakPolarHBondContact O-CD2 2.99Å; R582-Y585 PolarHBondContact O-N 3.42Å; Y585-D589 HydrophobicContact CD1-CB 4.03Å; Y585-D589 HydrophobicContact CG-CB 4.42Å; Y585-M593 HydrophobicContact CD1-SD 4.04Å; Y585-M593 HydrophobicContact CE1-SD 4.15Å; Y585-M593 HydrophobicContact CE2-CE 4.47Å; Y585-M593 HydrophobicContact CG-SD 4.25Å; Y585-K709 VanDerWaalsContact CD1-CE 3.47Å; Y585-K709 HydrophobicContact CE1-CB 4.06Å; Y585-K709 HydrophobicContact CE1-CG 4.46Å; Y585-K709 PolarHBondContact OH-O 3.13Å; Y585-I712 WeakPolarHBondContact OH-CB 2.92Å; Y585-I712 WeakPolarHBondContact OH-CG2 3.26Å; Y585-M713 HydrophobicContact CD1-CE 4.2Å; Y585-M713 HydrophobicContact CE1-CB 4.45Å; Y585-M713 HydrophobicContact CE1-CE 3.81Å; Y585-M713 PolarHBondContact OH-N 2.93Å; Y585-M716 HydrophobicContact CE2-SD 3.99Å
586	S	95.8	Very high	96.6	Very high	54 Å²	54	23 Å²	23	38%	0.378	11%	0.113	S	C	.	.			trans	-76.2	162.8	169.5	76.7	0	0	0	0	110.2	L588 D589 A590	S586-L588 PolarHBondContact O-N 3.27Å; S586-L588 PolarHBondContact OG-N 2.57Å; S586-D589 PolarHBondContact N-OD2 3Å; S586-D589 WeakPolarHBondContact O-CB 3.31Å; S586-D589 PolarHBondContact O-N 3.08Å; S586-D589 VanDerWaalsContact O-N 3.07Å; S586-D589 PolarHBondContact OG-N 3.28Å; S586-D589 VanDerWaalsContact OG-N 3.14Å; S586-D589 PolarHBondContact OG-OD1 3.36Å; S586-D589 PolarHBondContact OG-OD2 3.46Å; S586-A590 PolarHBondContact O-N 2.93Å
587	D	97	Very high	96.7	Very high	40 Å²	40	23 Å²	23	21%	0.214	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-26.9	173.6	-65.9	-24.8	0	0	0	112.5	V532 K535 F536 R582 F591	V532-D587 HydrophobicContact CG1-CB 4.49Å; K535-D587 HydrophobicContact CD-CB 4.12Å; K535-D587 WeakPolarHBondContact CD-OD2 3.37Å; K535-D587 IonicContact NZ-OD2 3.39Å; K535-D587 PolarHBondContact NZ-OD2 2.87Å; F536-D587 HydrophobicContact CE2-CB 4.13Å; F536-D587 HydrophobicContact CZ-CB 4.27Å; R582-D587 IonicContact CZ-OD1 2.71Å; R582-D587 IonicContact NE-OD1 2.74Å; R582-D587 PolarHBondContact NE-OD1 3.44Å; R582-D587 IonicContact NH2-OD1 2.96Å; R582-D587 PolarHBondContact NH2-OD1 2.92Å; D587-F591 VanDerWaalsContact O-CB 3.28Å; D587-F591 WeakPolarHBondContact O-CB 3.19Å; D587-F591 PolarHBondContact O-N 3.45Å
588	L	97.6	Very high	96.8	Very high	16 Å²	16	20.7 Å²	20.7	8%	0.084	10%	0.102	C	C	.	.	H	α-helix	trans	-70.7	-41.3	174.4	-176.5	63.8	0	0	0	111.1	F536 S586 F591 A592 L651 Q655 V659	F536-L588 HydrophobicContact CE1-CB 4.41Å; F536-L588 HydrophobicContact CE1-CD1 4.22Å; F536-L588 HydrophobicContact CZ-CB 3.85Å; F536-L588 HydrophobicContact CZ-CD1 4.14Å; S586-L588 PolarHBondContact O-N 3.27Å; S586-L588 PolarHBondContact OG-N 2.57Å; L588-F591 PolarHBondContact O-N 3.13Å; L588-A592 WeakPolarHBondContact O-CB 3.41Å; L588-A592 PolarHBondContact O-N 3.43Å; L588-L651 HydrophobicContact CD1-CD1 3.66Å; L588-L651 HydrophobicContact CD1-CD2 4.33Å; L588-Q655 HydrophobicContact CD2-CB 3.8Å; L588-Q655 HydrophobicContact CD2-CG 4.03Å; L588-V659 HydrophobicContact CD1-CG2 3.64Å; L588-V659 HydrophobicContact CG-CG2 4.11Å
589	D	97.1	Very high	97	Very high	14 Å²	14	18.4 Å²	18.4	8%	0.075	9%	0.088	C	C	.	.	H	α-helix	trans	-63.4	-47.2	176.9	-54.2	-24.4	0	0	0	110.1	Y585 S586 F591 A592 M593 L662 K709	Y585-D589 HydrophobicContact CD1-CB 4.03Å; Y585-D589 HydrophobicContact CG-CB 4.42Å; S586-D589 PolarHBondContact N-OD2 3Å; S586-D589 WeakPolarHBondContact O-CB 3.31Å; S586-D589 PolarHBondContact O-N 3.08Å; S586-D589 VanDerWaalsContact O-N 3.07Å; S586-D589 PolarHBondContact OG-N 3.28Å; S586-D589 VanDerWaalsContact OG-N 3.14Å; S586-D589 PolarHBondContact OG-OD1 3.36Å; S586-D589 PolarHBondContact OG-OD2 3.46Å; D589-F591 VanDerWaalsContact C-N 3.31Å; D589-F591 PolarHBondContact O-N 2.81Å; D589-A592 PolarHBondContact O-N 2.99Å; D589-M593 WeakPolarHBondContact O-CB 3.42Å; D589-M593 WeakPolarHBondContact O-CG 3.25Å; D589-M593 PolarHBondContact O-N 3.03Å; D589-L662 HydrophobicContact CB-CD1 4.08Å; D589-K709 IonicContact OD2-NZ 3.5Å; D589-K709 PolarHBondContact OD2-NZ 2.71Å
590	A	97.8	Very high	97.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.9	-40	177.2	0	0	0	0	0	112	L576 S586 V594	L576-A590 HydrophobicContact CD1-CB 4.01Å; S586-A590 PolarHBondContact O-N 2.93Å; A590-V594 PolarHBondContact O-N 3.26Å
591	F	98.3	Very high	97.3	Very high	1 Å²	1	13.7 Å²	13.7	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-60.7	-49.7	175.2	-175.9	-157.8	0	0	0	111.3	F527 V532 F536 V538 D587 L588 D589 A595 I647 F648	F527-F591 AromaticContact CD1-CD2 3.69Å; F527-F591 HydrophobicContact CD1-CD2 3.69Å; F527-F591 AromaticContact CD1-CE2 3.66Å; F527-F591 HydrophobicContact CD1-CE2 3.66Å; F527-F591 AromaticContact CE1-CD2 3.55Å; F527-F591 HydrophobicContact CE1-CD2 3.55Å; F527-F591 AromaticContact CE1-CE2 3.55Å; F527-F591 HydrophobicContact CE1-CE2 3.55Å; V532-F591 HydrophobicContact CB-CB 4.18Å; V532-F591 HydrophobicContact CB-CD1 4.48Å; V532-F591 HydrophobicContact CB-CD2 4.3Å; V532-F591 HydrophobicContact CB-CG 4.08Å; V532-F591 HydrophobicContact CG1-CB 3.92Å; V532-F591 HydrophobicContact CG1-CG 4.38Å; V532-F591 HydrophobicContact CG2-CB 4.37Å; V532-F591 HydrophobicContact CG2-CD2 3.73Å; V532-F591 HydrophobicContact CG2-CE2 4.21Å; V532-F591 HydrophobicContact CG2-CG 4.03Å; F536-F591 HydrophobicContact CD2-CD1 4Å; F536-F591 HydrophobicContact CE2-CD1 4.4Å; V538-F591 HydrophobicContact CG2-CE1 4.02Å; V538-F591 HydrophobicContact CG2-CZ 3.86Å; D587-F591 VanDerWaalsContact O-CB 3.28Å; D587-F591 WeakPolarHBondContact O-CB 3.19Å; D587-F591 PolarHBondContact O-N 3.45Å; L588-F591 PolarHBondContact O-N 3.13Å; D589-F591 VanDerWaalsContact C-N 3.31Å; D589-F591 PolarHBondContact O-N 2.81Å; F591-A595 WeakPolarHBondContact O-CB 3.44Å; F591-A595 PolarHBondContact O-N 2.94Å; F591-A595 VanDerWaalsContact O-N 3.12Å; F591-I647 HydrophobicContact CE2-CD1 3.79Å; F591-I647 HydrophobicContact CE2-CG1 4.46Å; F591-I647 HydrophobicContact CZ-CB 4.28Å; F591-I647 HydrophobicContact CZ-CD1 3.84Å; F591-I647 HydrophobicContact CZ-CG1 3.99Å; F591-F648 AromaticContact CD1-CD1 3.89Å; F591-F648 HydrophobicContact CD1-CD1 3.89Å; F591-F648 AromaticContact CD1-CE1 3.58Å; F591-F648 HydrophobicContact CD1-CE1 3.58Å; F591-F648 HydrophobicContact CD2-CE1 4.23Å; F591-F648 AromaticContact CE1-CD1 3.36Å; F591-F648 HydrophobicContact CE1-CD1 3.36Å; F591-F648 AromaticContact CE1-CE1 3.31Å; F591-F648 HydrophobicContact CE1-CE1 3.31Å; F591-F648 HydrophobicContact CE1-CZ 4.47Å; F591-F648 AromaticContact CE2-CE1 3.99Å; F591-F648 HydrophobicContact CE2-CE1 3.99Å; F591-F648 HydrophobicContact CG-CE1 4.03Å; F591-F648 AromaticContact CZ-CD1 3.82Å; F591-F648 HydrophobicContact CZ-CD1 3.82Å; F591-F648 AromaticContact CZ-CE1 3.52Å; F591-F648 HydrophobicContact CZ-CE1 3.52Å; F591-F648 HydrophobicContact CZ-CZ 4.33Å
592	A	98.2	Very high	97.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.1	-43	179.4	0	0	0	0	0	112.5	L588 D589 V594 A595 A596 V659 L662 F663	L588-A592 WeakPolarHBondContact O-CB 3.41Å; L588-A592 PolarHBondContact O-N 3.43Å; D589-A592 PolarHBondContact O-N 2.99Å; A592-V594 PolarHBondContact O-N 3.24Å; A592-A595 PolarHBondContact O-N 2.94Å; A592-A596 VanDerWaalsContact O-CB 3.24Å; A592-A596 WeakPolarHBondContact O-CB 3.13Å; A592-A596 PolarHBondContact O-N 3.26Å; A592-V659 HydrophobicContact CB-CG1 4.16Å; A592-V659 HydrophobicContact CB-CG2 4.29Å; A592-L662 HydrophobicContact CB-CB 3.98Å; A592-L662 HydrophobicContact CB-CD1 3.84Å; A592-F663 HydrophobicContact CB-CD2 4.47Å; A592-F663 HydrophobicContact CB-CE2 4.38Å; A592-F663 WeakPolarHBondContact O-CE2 3.33Å
593	M	98.3	Very high	97.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.8	-43.9	-178.9	-73.5	168.5	64.6	0	0	112.4	M572 L576 Y585 D589 A597 M713 M716	M572-M593 HydrophobicContact CE-CE 4.24Å; M572-M593 HydrophobicContact CG-CB 4.31Å; M572-M593 HydrophobicContact SD-CB 4.34Å; M572-M593 HydrophobicContact SD-CE 3.58Å; M572-M593 VanDerWaalsContact SD-CE 3.58Å; L576-M593 HydrophobicContact CD2-CE 4.23Å; Y585-M593 HydrophobicContact CD1-SD 4.04Å; Y585-M593 HydrophobicContact CE1-SD 4.15Å; Y585-M593 HydrophobicContact CE2-CE 4.47Å; Y585-M593 HydrophobicContact CG-SD 4.25Å; D589-M593 WeakPolarHBondContact O-CB 3.42Å; D589-M593 WeakPolarHBondContact O-CG 3.25Å; D589-M593 PolarHBondContact O-N 3.03Å; M593-A597 WeakPolarHBondContact O-CB 3.44Å; M593-A597 PolarHBondContact O-N 3.29Å; M593-M713 HydrophobicContact CE-CG 4.03Å; M593-M713 HydrophobicContact CG-CE 3.75Å; M593-M713 HydrophobicContact CG-CG 4.02Å; M593-M713 HydrophobicContact CG-SD 3.94Å; M593-M713 HydrophobicContact SD-CE 3.55Å; M593-M713 VanDerWaalsContact SD-CE 3.55Å; M593-M713 HydrophobicContact SD-CG 4.09Å; M593-M713 HydrophobicContact SD-SD 4.33Å; M593-M716 HydrophobicContact CE-CE 3.74Å; M593-M716 HydrophobicContact CE-SD 4.04Å
594	V	98.5	Very high	97.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-70.3	-41.3	178.4	171.9	0	0	0	0	110.9	F527 L530 M572 L576 A590 A592 A597 F598	F527-V594 HydrophobicContact CE1-CB 4.44Å; F527-V594 HydrophobicContact CE1-CG1 4.08Å; F527-V594 HydrophobicContact CZ-CG1 4.03Å; L530-V594 HydrophobicContact CD1-CB 4.19Å; L530-V594 HydrophobicContact CD1-CG1 4.36Å; L530-V594 HydrophobicContact CD1-CG2 3.93Å; M572-V594 HydrophobicContact CB-CG2 4.38Å; M572-V594 HydrophobicContact CG-CG2 3.87Å; L576-V594 HydrophobicContact CD1-CG2 3.77Å; A590-V594 PolarHBondContact O-N 3.26Å; A592-V594 PolarHBondContact O-N 3.24Å; V594-A597 PolarHBondContact O-N 3.1Å; V594-F598 HydrophobicContact CG1-CD2 3.99Å; V594-F598 HydrophobicContact CG1-CE2 3.58Å; V594-F598 WeakPolarHBondContact O-CD2 3.42Å; V594-F598 PolarHBondContact O-N 3.2Å; V594-F598 VanDerWaalsContact O-N 3.15Å
595	A	98.4	Very high	97.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64	-40.5	175.4	0	0	0	0	0	112.3	F527 W546 F591 A592 F598 C599 I647 F648 F663	F527-A595 HydrophobicContact CE1-CB 4.34Å; F527-A595 HydrophobicContact CZ-CB 4.19Å; W546-A595 HydrophobicContact CH2-CB 3.97Å; W546-A595 HydrophobicContact CZ2-CB 4.17Å; F591-A595 WeakPolarHBondContact O-CB 3.44Å; F591-A595 PolarHBondContact O-N 2.94Å; F591-A595 VanDerWaalsContact O-N 3.12Å; A592-A595 PolarHBondContact O-N 2.94Å; A595-F598 PolarHBondContact O-N 3.21Å; A595-C599 PolarHBondContact O-N 3.1Å; A595-C599 PolarHBondContact O-SG 2.81Å; A595-I647 HydrophobicContact CB-CD1 4.17Å; A595-F648 HydrophobicContact CB-CZ 3.98Å; A595-F663 HydrophobicContact CB-CE2 4.04Å; A595-F663 HydrophobicContact CB-CZ 3.61Å
596	A	98.5	Very high	97.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.5	-39.8	175.3	0	0	0	0	0	112	A592 F598 C599 H600 F663 C666 I667 M717	A592-A596 VanDerWaalsContact O-CB 3.24Å; A592-A596 WeakPolarHBondContact O-CB 3.13Å; A592-A596 PolarHBondContact O-N 3.26Å; A596-F598 VanDerWaalsContact C-N 3.3Å; A596-F598 PolarHBondContact O-N 3.12Å; A596-C599 PolarHBondContact O-N 3.1Å; A596-H600 PolarHBondContact O-N 3.42Å; A596-F663 HydrophobicContact CB-CD1 3.9Å; A596-F663 HydrophobicContact CB-CD2 4.04Å; A596-F663 HydrophobicContact CB-CE1 4Å; A596-F663 HydrophobicContact CB-CE2 4.14Å; A596-F663 HydrophobicContact CB-CG 3.94Å; A596-F663 HydrophobicContact CB-CZ 4.13Å; A596-C666 HydrophobicContact CB-CB 3.65Å; A596-I667 HydrophobicContact CB-CG1 4.33Å; A596-M717 HydrophobicContact CB-CE 4.37Å
597	A	98.5	Very high	97.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.7	-39.1	175.3	0	0	0	0	0	112.3	V568 M572 M593 V594 C599 H600 M717	V568-A597 HydrophobicContact CG1-CB 4.21Å; M572-A597 HydrophobicContact CB-CB 3.95Å; M572-A597 HydrophobicContact CG-CB 4.3Å; M593-A597 WeakPolarHBondContact O-CB 3.44Å; M593-A597 PolarHBondContact O-N 3.29Å; V594-A597 PolarHBondContact O-N 3.1Å; A597-C599 PolarHBondContact O-N 3.41Å; A597-H600 PolarHBondContact O-ND1 3Å; A597-M717 HydrophobicContact CB-CE 3.82Å; A597-M717 HydrophobicContact CB-SD 4.05Å
598	F	98.6	Very high	97.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-67.9	-20.5	174.8	-78.4	-62.4	0	0	0	114.1	M526 F527 W546 M547 V550 Y554 W562 F566 V594 A595 A596	M526-F598 HydrophobicContact SD-CZ 3.87Å; F527-F598 HydrophobicContact CE2-CD2 4.16Å; F527-F598 AromaticContact CE2-CE2 3.9Å; F527-F598 HydrophobicContact CE2-CE2 3.9Å; F527-F598 HydrophobicContact CZ-CD2 4.1Å; F527-F598 HydrophobicContact CZ-CE2 4.13Å; W546-F598 HydrophobicContact CH2-CB 4.14Å; W546-F598 HydrophobicContact CH2-CD2 4.44Å; M547-F598 HydrophobicContact CE-CD2 4.11Å; M547-F598 HydrophobicContact CE-CE1 4.46Å; M547-F598 HydrophobicContact CE-CE2 3.91Å; M547-F598 HydrophobicContact CE-CG 4.49Å; M547-F598 HydrophobicContact CE-CZ 4.1Å; V550-F598 HydrophobicContact CG1-CB 4.47Å; V550-F598 WeakPolarHBondContact CG1-O 3.38Å; Y554-F598 VanDerWaalsContact CE2-O 3.23Å; Y554-F598 WeakPolarHBondContact CE2-O 3.49Å; Y554-F598 PolarHBondContact OH-O 3.1Å; W562-F598 AromaticContact CH2-CD1 3.86Å; W562-F598 HydrophobicContact CH2-CD1 3.86Å; W562-F598 HydrophobicContact CH2-CE1 4.18Å; W562-F598 HydrophobicContact CZ3-CD1 4.12Å; F566-F598 AromaticContact CD2-CE1 3.79Å; F566-F598 HydrophobicContact CD2-CE1 3.79Å; F566-F598 HydrophobicContact CE2-CE1 4.36Å; F566-F598 HydrophobicContact CG-CE1 4.41Å; V594-F598 HydrophobicContact CG1-CD2 3.99Å; V594-F598 HydrophobicContact CG1-CE2 3.58Å; V594-F598 WeakPolarHBondContact O-CD2 3.42Å; V594-F598 PolarHBondContact O-N 3.2Å; V594-F598 VanDerWaalsContact O-N 3.15Å; A595-F598 PolarHBondContact O-N 3.21Å; A596-F598 VanDerWaalsContact C-N 3.3Å; A596-F598 PolarHBondContact O-N 3.12Å
599	C	98.3	Very high	97	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.007	7%	0.065	C	C	.	.	H	α-helix	trans	-109.1	-4.9	-176.2	-62.2	0	0	0	0	114.4	A595 A596 A597 D601 I602 S636	A595-C599 PolarHBondContact O-N 3.1Å; A595-C599 PolarHBondContact O-SG 2.81Å; A596-C599 PolarHBondContact O-N 3.1Å; A597-C599 PolarHBondContact O-N 3.41Å; C599-D601 PolarHBondContact O-N 2.73Å; C599-I602 WeakPolarHBondContact O-CB 3.45Å; C599-I602 VanDerWaalsContact O-CG2 3.27Å; C599-I602 WeakPolarHBondContact O-CG2 3.4Å; C599-I602 PolarHBondContact O-N 3.48Å; C599-I602 VanDerWaalsContact O-N 3.11Å; C599-S636 VanDerWaalsContact CB-OG 3.23Å; C599-S636 WeakPolarHBondContact CB-OG 3.37Å
600	H	98.3	Very high	96.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.9	-165.3	78.5	-76.6	0	0	0	114.7	H564 A596 A597 H632 I667 T670	H564-H600 AromaticContact CD2-CE1 3.9Å; H564-H600 AromaticContact CD2-NE2 3.92Å; H564-H600 AromaticContact NE2-CE1 3.46Å; H564-H600 PolarHBondContact NE2-CE1 2.97Å; H564-H600 AromaticContact NE2-NE2 3.17Å; H564-H600 PolarHBondContact NE2-NE2 3.29Å; H564-H600 VanDerWaalsContact NE2-NE2 3.17Å; A596-H600 PolarHBondContact O-N 3.42Å; A597-H600 PolarHBondContact O-ND1 3Å; H600-H632 WeakPolarHBondContact O-CB 3.43Å; H600-H632 PolarHBondContact O-CD2 2.9Å; H600-I667 HydrophobicContact CB-CG1 4.32Å; H600-T670 HydrophobicContact CB-CG2 4.11Å
601	D	98.3	Very high	96.7	Very high	11 Å²	11	18.4 Å²	18.4	6%	0.059	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	20	-176.8	-90.6	3.1	0	0	0	112.9	Y554 H560 H564 C599 D603 H604 H632	Y554-D601 VanDerWaalsContact CE1-C 3.48Å; Y554-D601 HydrophobicContact CE1-CB 3.83Å; Y554-D601 VanDerWaalsContact CE1-O 3.28Å; Y554-D601 WeakPolarHBondContact CE1-O 3.35Å; Y554-D601 PolarHBondContact OH-N 2.74Å; H560-D601 IonicContact CD2-OD2 3.72Å; H560-D601 PolarHBondContact CD2-OD2 3.41Å; H560-D601 VanDerWaalsContact CD2-OD2 3.27Å; H564-D601 IonicContact CD2-OD2 2.7Å; H564-D601 PolarHBondContact CD2-OD2 2.82Å; H564-D601 IonicContact NE2-OD2 3.45Å; H564-D601 PolarHBondContact NE2-OD2 3.36Å; C599-D601 PolarHBondContact O-N 2.73Å; D601-D603 PolarHBondContact O-N 2.91Å; D601-H604 WeakPolarHBondContact O-CB 3.37Å; D601-H604 PolarHBondContact O-N 3Å; D601-H604 VanDerWaalsContact O-N 3.15Å; D601-H632 IonicContact OD1-CD2 3.36Å; D601-H632 IonicContact OD1-NE2 3.24Å
602	I	96.3	Very high	96.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	135.1	-178.7	-163.7	166.5	0	0	0	111.1	V550 Y554 C599 H604 H632 Y635 L639	V550-I602 HydrophobicContact CG1-CD1 4.4Å; Y554-I602 HydrophobicContact CD2-CG1 4.34Å; Y554-I602 HydrophobicContact CE2-CB 4.19Å; Y554-I602 HydrophobicContact CE2-CG1 4.35Å; C599-I602 WeakPolarHBondContact O-CB 3.45Å; C599-I602 VanDerWaalsContact O-CG2 3.27Å; C599-I602 WeakPolarHBondContact O-CG2 3.4Å; C599-I602 PolarHBondContact O-N 3.48Å; C599-I602 VanDerWaalsContact O-N 3.11Å; I602-H604 VanDerWaalsContact C-N 3.29Å; I602-H604 PolarHBondContact O-N 3.05Å; I602-H632 HydrophobicContact CG2-CB 4.34Å; I602-H632 PolarHBondContact O-CE1 3.5Å; I602-H632 PolarHBondContact O-ND1 3.03Å; I602-Y635 HydrophobicContact CD1-CD1 3.64Å; I602-Y635 HydrophobicContact CD1-CE1 3.58Å; I602-Y635 HydrophobicContact CG1-CD1 4.03Å; I602-Y635 HydrophobicContact CG1-CE1 4.06Å; I602-Y635 HydrophobicContact CG2-CD1 3.9Å; I602-Y635 HydrophobicContact CG2-CG 3.98Å; I602-L639 HydrophobicContact CD1-CD1 3.92Å
603	D	95.8	Very high	96.3	Very high	21 Å²	21	22.9 Å²	22.9	11%	0.112	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	27	-174.3	-164	47.1	0	0	0	115.3	G553 R555 D601 H631 Y635	G553-D603 PolarHBondContact O-N 3.3Å; G553-D603 VanDerWaalsContact O-N 3.11Å; R555-D603 IonicContact CZ-OD1 3.61Å; R555-D603 IonicContact NE-OD1 2.92Å; R555-D603 PolarHBondContact NE-OD1 3.33Å; R555-D603 IonicContact NH2-OD1 2.69Å; R555-D603 PolarHBondContact NH2-OD1 3.49Å; R555-D603 IonicContact NH2-OD2 3.25Å; D601-D603 PolarHBondContact O-N 2.91Å; D603-H631 IonicContact OD2-CD2 2.83Å; D603-H631 IonicContact OD2-CE1 3.22Å; D603-H631 PolarHBondContact OD2-CE1 3Å; D603-H631 IonicContact OD2-NE2 2.75Å; D603-H631 PolarHBondContact OD2-NE2 3.22Å; D603-Y635 HydrophobicContact CB-CD2 4.01Å; D603-Y635 HydrophobicContact CB-CE2 4.1Å
604	H	96.9	Very high	96.1	Very high	15 Å²	15	26.8 Å²	26.8	7%	0.069	13%	0.134	C	C	.	.			trans	-59	139.2	171.1	-165.2	-90.2	0	0	0	112.2	R555 I557 H560 D601 I602 G606 H632 E742	R555-H604 VanDerWaalsContact CD-O 3.23Å; R555-H604 WeakPolarHBondContact CD-O 3.33Å; I557-H604 HydrophobicContact CD1-CB 4.4Å; I557-H604 WeakPolarHBondContact CD1-O 3.23Å; H560-H604 HydrophobicContact CB-CB 3.84Å; H560-H604 WeakPolarHBondContact CB-ND1 3.37Å; H560-H604 AromaticContact CE1-CE1 3.97Å; H560-H604 AromaticContact CG-CE1 3.8Å; H560-H604 AromaticContact CG-CG 3.98Å; H560-H604 AromaticContact CG-ND1 3.57Å; H560-H604 AromaticContact ND1-CE1 3.54Å; H560-H604 AromaticContact ND1-ND1 3.63Å; D601-H604 WeakPolarHBondContact O-CB 3.37Å; D601-H604 PolarHBondContact O-N 3Å; D601-H604 VanDerWaalsContact O-N 3.15Å; I602-H604 VanDerWaalsContact C-N 3.29Å; I602-H604 PolarHBondContact O-N 3.05Å; H604-G606 PolarHBondContact ND1-N 3.36Å; H604-G606 VanDerWaalsContact ND1-N 3.18Å; H604-H632 AromaticContact CD2-NE2 3.72Å; H604-E742 IonicContact CE1-OE1 2.7Å; H604-E742 IonicContact ND1-OE1 3.68Å
605	R	94.6	Very high	95.8	Very high	115 Å²	115	28.8 Å²	28.8	43%	0.434	15%	0.148	S	C	.	.			trans	-102	1.4	-167.7	-66	-174.9	178.4	-134	-0.7	115.3	M628	R605-M628 HydrophobicContact CB-CE 4.47Å; R605-M628 HydrophobicContact CG-CE 4.24Å
606	G	94.3	Very high	95.5	Very high	12 Å²	12	31.6 Å²	31.6	12%	0.124	17%	0.171	C	C	.	.	S	Bend	trans	86.5	7.6	-176.6	0	0	0	0	0	114.7	H604 E742	H604-G606 PolarHBondContact ND1-N 3.36Å; H604-G606 VanDerWaalsContact ND1-N 3.18Å; G606-E742 VanDerWaalsContact CA-OE1 3.25Å; G606-E742 WeakPolarHBondContact CA-OE1 3.24Å
607	T	94	Very high	95.2	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.055	18%	0.177	C	C	.	.			trans	-141.7	141.8	-173.3	62.4	0	0	0	0	111.2	Y611 Q612 Q746 L749	T607-Y611 HydrophobicContact CG2-CD1 3.74Å; T607-Y611 HydrophobicContact CG2-CE1 4.03Å; T607-Y611 HydrophobicContact CG2-CG 4.26Å; T607-Q612 PolarHBondContact OG1-NE2 3.08Å; T607-Q746 VanDerWaalsContact CA-OE1 3.3Å; T607-Q746 HydrophobicContact CG2-CG 4.33Å; T607-L749 HydrophobicContact CG2-CD1 4.17Å
608	N	94.1	Very high	95	Very high	47 Å²	47	37.5 Å²	37.5	25%	0.251	21%	0.21	S	C	.	.			trans	-79.4	170.8	-178.5	67.9	25.4	0	0	0	115	L610 Y611 Q612 Q746 M762	N608-L610 PolarHBondContact O-N 3Å; N608-L610 PolarHBondContact OD1-N 3.35Å; N608-Y611 WeakPolarHBondContact O-CB 3.46Å; N608-Y611 PolarHBondContact O-N 2.99Å; N608-Y611 VanDerWaalsContact O-N 3.11Å; N608-Y611 PolarHBondContact OD1-N 2.72Å; N608-Q612 PolarHBondContact O-N 3.25Å; N608-Q612 VanDerWaalsContact O-N 3.13Å; N608-Q746 VanDerWaalsContact CG-NE2 3.3Å; N608-Q746 PolarHBondContact ND2-NE2 3.38Å; N608-Q746 PolarHBondContact OD1-NE2 2.86Å; N608-Q746 VanDerWaalsContact OD1-NE2 3.11Å; N608-M762 VanDerWaalsContact ND2-CE 3.32Å; N608-M762 WeakPolarHBondContact ND2-CE 3.41Å
609	N	94.5	Very high	94.6	Very high	33 Å²	33	38.5 Å²	38.5	18%	0.176	22%	0.215	C	C	.	.	H	α-helix	trans	-55.5	-33.7	178.4	-75.8	-28.1	0	0	0	114.1	Q612 T613 I627 M628 E629	N609-Q612 PolarHBondContact O-N 3.49Å; N609-T613 PolarHBondContact O-N 3.25Å; N609-T613 VanDerWaalsContact O-N 3.15Å; N609-T613 PolarHBondContact O-OG1 3.4Å; N609-I627 WeakPolarHBondContact OD1-CB 3.32Å; N609-I627 PolarHBondContact OD1-N 3.34Å; N609-M628 WeakPolarHBondContact OD1-CB 3.33Å; N609-M628 WeakPolarHBondContact OD1-CG 3.48Å; N609-M628 PolarHBondContact OD1-N 3.34Å; N609-E629 PolarHBondContact ND2-OE1 3.19Å; N609-E629 PolarHBondContact ND2-OE2 3.12Å
610	L	93.4	Very high	94.4	Very high	100 Å²	100	39.6 Å²	39.6	52%	0.524	23%	0.225	S	C	.	.	H	α-helix	trans	-67.3	-43.3	177.9	-179.3	62.6	0	0	0	111	N608 T613 K614	N608-L610 PolarHBondContact O-N 3Å; N608-L610 PolarHBondContact OD1-N 3.35Å; L610-T613 PolarHBondContact O-N 3.05Å; L610-K614 HydrophobicContact CG-CD 4.45Å; L610-K614 WeakPolarHBondContact O-CG 3.47Å; L610-K614 PolarHBondContact O-N 3.4Å
611	Y	94.3	Very high	94.1	Very high	21 Å²	21	47.6 Å²	47.6	8%	0.082	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-43.2	175.7	-176	-91.4	0	0	0	112	T607 N608 T613 K614 S615 Q746 L749 E750 L754	T607-Y611 HydrophobicContact CG2-CD1 3.74Å; T607-Y611 HydrophobicContact CG2-CE1 4.03Å; T607-Y611 HydrophobicContact CG2-CG 4.26Å; N608-Y611 WeakPolarHBondContact O-CB 3.46Å; N608-Y611 PolarHBondContact O-N 2.99Å; N608-Y611 VanDerWaalsContact O-N 3.11Å; N608-Y611 PolarHBondContact OD1-N 2.72Å; Y611-T613 PolarHBondContact O-N 3.17Å; Y611-K614 PolarHBondContact O-N 3.05Å; Y611-S615 WeakPolarHBondContact O-CB 3.26Å; Y611-S615 PolarHBondContact O-N 3.08Å; Y611-S615 PolarHBondContact O-OG 3.46Å; Y611-Q746 HydrophobicContact CD2-CG 4.32Å; Y611-L749 HydrophobicContact CE2-CB 4.15Å; Y611-E750 HydrophobicContact CD2-CG 3.54Å; Y611-E750 HydrophobicContact CE2-CG 3.79Å; Y611-L754 HydrophobicContact CD2-CD1 4.12Å; Y611-L754 HydrophobicContact CE2-CD1 3.88Å; Y611-L754 HydrophobicContact CE2-CG 4.35Å
612	Q	94.8	Very high	93.7	Very high	11 Å²	11	53 Å²	53	5%	0.051	29%	0.288	C	S	.	.	H	α-helix	trans	-56.1	-40.1	176	-67	-62.1	-35.4	0	0	111.9	T607 N608 N609 S615 A616 S617 A620 I627 M628	T607-Q612 PolarHBondContact OG1-NE2 3.08Å; N608-Q612 PolarHBondContact O-N 3.25Å; N608-Q612 VanDerWaalsContact O-N 3.13Å; N609-Q612 PolarHBondContact O-N 3.49Å; Q612-S615 PolarHBondContact O-OG 3.39Å; Q612-A616 PolarHBondContact O-N 2.79Å; Q612-S617 PolarHBondContact O-N 2.9Å; Q612-S617 PolarHBondContact OE1-OG 3.45Å; Q612-A620 WeakPolarHBondContact O-CB 3.39Å; Q612-I627 HydrophobicContact CB-CD1 4.41Å; Q612-I627 HydrophobicContact CB-CG2 4.44Å; Q612-M628 HydrophobicContact CG-CG 4.27Å; Q612-M628 HydrophobicContact CG-SD 4.02Å
613	T	93.8	Very high	93.5	Very high	84 Å²	84	54.7 Å²	54.7	52%	0.515	30%	0.295	S	S	.	.	H	α-helix	trans	-68.7	-49	176.2	-54.5	0	0	0	0	111.7	N609 L610 Y611 S615 A616 I627	N609-T613 PolarHBondContact O-N 3.25Å; N609-T613 VanDerWaalsContact O-N 3.15Å; N609-T613 PolarHBondContact O-OG1 3.4Å; L610-T613 PolarHBondContact O-N 3.05Å; Y611-T613 PolarHBondContact O-N 3.17Å; T613-S615 VanDerWaalsContact C-N 3.31Å; T613-S615 PolarHBondContact O-N 3.17Å; T613-A616 PolarHBondContact O-N 3.27Å; T613-A616 VanDerWaalsContact O-N 3.15Å; T613-I627 WeakPolarHBondContact OG1-CD1 2.95Å
614	K	93.6	Very high	93	Very high	82 Å²	82	57.7 Å²	57.7	36%	0.357	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-35.9	179.8	-72.2	-179.4	178	-172.5	0	113	L610 Y611 A616 E750 L754	L610-K614 HydrophobicContact CG-CD 4.45Å; L610-K614 WeakPolarHBondContact O-CG 3.47Å; L610-K614 PolarHBondContact O-N 3.4Å; Y611-K614 PolarHBondContact O-N 3.05Å; K614-A616 VanDerWaalsContact C-N 3.26Å; K614-A616 PolarHBondContact O-N 3.27Å; K614-E750 IonicContact NZ-OE2 3.59Å; K614-E750 PolarHBondContact NZ-OE2 3.37Å; K614-L754 HydrophobicContact CB-CD1 3.78Å; K614-L754 HydrophobicContact CD-CD1 4.02Å
615	S	92.4	Very high	92.7	Very high	42 Å²	42	60 Å²	60	29%	0.294	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.8	178.3	59	0	0	0	0	113.8	Y611 Q612 T613 S617	Y611-S615 WeakPolarHBondContact O-CB 3.26Å; Y611-S615 PolarHBondContact O-N 3.08Å; Y611-S615 PolarHBondContact O-OG 3.46Å; Q612-S615 PolarHBondContact O-OG 3.39Å; T613-S615 VanDerWaalsContact C-N 3.31Å; T613-S615 PolarHBondContact O-N 3.17Å; S615-S617 PolarHBondContact O-N 3.14Å
616	A	92.1	Very high	92.6	Very high	59 Å²	59	55 Å²	55	49%	0.488	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	40.1	-177.8	0	0	0	0	0	113.4	Q612 T613 K614 K621	Q612-A616 PolarHBondContact O-N 2.79Å; T613-A616 PolarHBondContact O-N 3.27Å; T613-A616 VanDerWaalsContact O-N 3.15Å; K614-A616 VanDerWaalsContact C-N 3.26Å; K614-A616 PolarHBondContact O-N 3.27Å; A616-K621 WeakPolarHBondContact O-CE 3.38Å
617	S	92.8	Very high	92.7	Very high	16 Å²	16	54.8 Å²	54.8	11%	0.112	33%	0.328	C	S	.	.			trans	-62.1	155.6	-177.1	82.1	0	0	0	0	111.7	Q612 S615 L619 A620 K621	Q612-S617 PolarHBondContact O-N 2.9Å; Q612-S617 PolarHBondContact OE1-OG 3.45Å; S615-S617 PolarHBondContact O-N 3.14Å; S617-L619 PolarHBondContact O-N 3.37Å; S617-A620 PolarHBondContact O-N 3.24Å; S617-A620 PolarHBondContact OG-N 3.41Å; S617-K621 PolarHBondContact O-N 3.35Å
618	P	93.2	Very high	92.8	Very high	108 Å²	108	54.5 Å²	54.5	70%	0.701	33%	0.326	S	S	*	.	H	α-helix	trans	-55.5	-33.9	175.5	-27	35.7	0	0	0	113.4	K621 L622	P618-K621 PolarHBondContact O-N 2.87Å; P618-L622 WeakPolarHBondContact O-CB 3.4Å; P618-L622 PolarHBondContact O-N 3.07Å
619	L	92.1	Very high	93	Very high	21 Å²	21	53.3 Å²	53.3	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-65.3	-39.4	176.5	-65.3	177.3	0	0	0	111.8	S617 K621 L622 H623 I627 M628 H631	S617-L619 PolarHBondContact O-N 3.37Å; L619-K621 VanDerWaalsContact C-N 3.26Å; L619-K621 PolarHBondContact O-N 3.43Å; L619-L622 PolarHBondContact O-N 3.32Å; L619-H623 PolarHBondContact O-N 3.25Å; L619-I627 HydrophobicContact CB-CG2 3.64Å; L619-M628 HydrophobicContact CD1-SD 4.09Å; L619-H631 HydrophobicContact CD1-CB 4.31Å; L619-H631 HydrophobicContact CD2-CB 4.28Å
620	A	92.8	Very high	93.1	Very high	25 Å²	25	56 Å²	56	21%	0.207	33%	0.327	C	S	.	.	H	α-helix	trans	-68.9	-24.3	175.3	0	0	0	0	0	113.2	Q612 S617 H623 I627	Q612-A620 WeakPolarHBondContact O-CB 3.39Å; S617-A620 PolarHBondContact O-N 3.24Å; S617-A620 PolarHBondContact OG-N 3.41Å; A620-H623 VanDerWaalsContact O-O 3.05Å; A620-I627 HydrophobicContact CB-CD1 3.91Å
621	K	91.6	Very high	93.2	Very high	167 Å²	167	52.6 Å²	52.6	73%	0.726	31%	0.308	S	S	*	.	H	α-helix	trans	-79.1	-33.3	172	-64.1	177.8	-174.9	174.2	0	112	A616 S617 P618 L619	A616-K621 WeakPolarHBondContact O-CE 3.38Å; S617-K621 PolarHBondContact O-N 3.35Å; P618-K621 PolarHBondContact O-N 2.87Å; L619-K621 VanDerWaalsContact C-N 3.26Å; L619-K621 PolarHBondContact O-N 3.43Å
622	L	90.3	Very high	93.3	Very high	124 Å²	124	51.7 Å²	51.7	65%	0.649	31%	0.305	S	S	*	.	H	α-helix	trans	-76.4	-38.4	179.4	-176.2	63.1	0	0	0	112.3	P618 L619	P618-L622 WeakPolarHBondContact O-CB 3.4Å; P618-L622 PolarHBondContact O-N 3.07Å; L619-L622 PolarHBondContact O-N 3.32Å
623	H	91.8	Very high	93.4	Very high	36 Å²	36	51.6 Å²	51.6	17%	0.167	31%	0.305	C	S	.	.			trans	-120.7	132.1	-175.2	-59.1	-43.4	0	0	0	111.6	L619 A620 I627	L619-H623 PolarHBondContact O-N 3.25Å; A620-H623 VanDerWaalsContact O-O 3.05Å; H623-I627 HydrophobicContact CB-CG1 4.31Å; H623-I627 HydrophobicContact CB-CG2 4.46Å
624	G	85.1	Confident	93.5	Very high	85 Å²	85	52.8 Å²	52.8	88%	0.876	30%	0.304	S	S	*	.	S	Bend	trans	-90.1	-15	178.8	0	0	0	0	0	115.5
625	S	90.8	Very high	93.5	Very high	64 Å²	64	50 Å²	50	45%	0.448	29%	0.291	S	S	.	.	S	Bend	trans	-153	150.5	178.6	62.6	0	0	0	0	110.7	I627 R630	S625-I627 VanDerWaalsContact C-N 3.34Å; S625-I627 PolarHBondContact O-N 2.91Å; S625-R630 VanDerWaalsContact O-CD 3.26Å; S625-R630 WeakPolarHBondContact O-CD 3.44Å; S625-R630 PolarHBondContact O-NE 3.33Å
626	S	93.9	Very high	93.6	Very high	9 Å²	9	48 Å²	48	6%	0.063	28%	0.278	C	S	.	.	S	Bend	trans	48.1	56.7	-179.7	-45.6	0	0	0	0	111	E629 R630 D671	S626-E629 WeakPolarHBondContact CA-OE2 3.42Å; S626-E629 WeakPolarHBondContact CB-OE2 3.48Å; S626-E629 PolarHBondContact O-N 2.9Å; S626-R630 WeakPolarHBondContact O-CB 3.42Å; S626-R630 VanDerWaalsContact O-CG 3.28Å; S626-R630 WeakPolarHBondContact O-CG 3.43Å; S626-R630 PolarHBondContact O-N 3.44Å; S626-D671 WeakPolarHBondContact CB-OD2 3.23Å; S626-D671 PolarHBondContact OG-OD2 3.28Å
627	I	95.5	Very high	93.7	Very high	8 Å²	8	48 Å²	48	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-50.7	-163.7	-63.9	163.4	0	0	0	110.4	N609 Q612 T613 L619 A620 H623 S625 H631	N609-I627 WeakPolarHBondContact OD1-CB 3.32Å; N609-I627 PolarHBondContact OD1-N 3.34Å; Q612-I627 HydrophobicContact CB-CD1 4.41Å; Q612-I627 HydrophobicContact CB-CG2 4.44Å; T613-I627 WeakPolarHBondContact OG1-CD1 2.95Å; L619-I627 HydrophobicContact CB-CG2 3.64Å; A620-I627 HydrophobicContact CB-CD1 3.91Å; H623-I627 HydrophobicContact CB-CG1 4.31Å; H623-I627 HydrophobicContact CB-CG2 4.46Å; S625-I627 VanDerWaalsContact C-N 3.34Å; S625-I627 PolarHBondContact O-N 2.91Å; I627-H631 PolarHBondContact O-N 3.07Å
628	M	96.3	Very high	93.6	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-71.1	-40.6	-179.7	-70	-58.2	-57.6	0	0	111.4	R605 N609 Q612 L619 R630 H631 H632	R605-M628 HydrophobicContact CB-CE 4.47Å; R605-M628 HydrophobicContact CG-CE 4.24Å; N609-M628 WeakPolarHBondContact OD1-CB 3.33Å; N609-M628 WeakPolarHBondContact OD1-CG 3.48Å; N609-M628 PolarHBondContact OD1-N 3.34Å; Q612-M628 HydrophobicContact CG-CG 4.27Å; Q612-M628 HydrophobicContact CG-SD 4.02Å; L619-M628 HydrophobicContact CD1-SD 4.09Å; M628-R630 VanDerWaalsContact C-N 3.3Å; M628-R630 PolarHBondContact O-N 3.47Å; M628-H631 CarbonylContact O-C 3.59Å; M628-H631 WeakPolarHBondContact O-CA 3.19Å; M628-H631 VanDerWaalsContact O-CB 3.3Å; M628-H631 WeakPolarHBondContact O-CB 3.19Å; M628-H631 PolarHBondContact O-N 3.32Å; M628-H632 VanDerWaalsContact C-CD2 3.47Å; M628-H632 PolarHBondContact O-CD2 3.15Å; M628-H632 PolarHBondContact O-N 3.23Å; M628-H632 PolarHBondContact O-NE2 3.38Å
629	E	97.6	Very high	93.5	Very high	22 Å²	22	43.7 Å²	43.7	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-37.8	179.9	-60.7	77.4	-171.3	0	0	111.6	N609 S626 H632 L633 I667 D671	N609-E629 PolarHBondContact ND2-OE1 3.19Å; N609-E629 PolarHBondContact ND2-OE2 3.12Å; S626-E629 WeakPolarHBondContact CA-OE2 3.42Å; S626-E629 WeakPolarHBondContact CB-OE2 3.48Å; S626-E629 PolarHBondContact O-N 2.9Å; E629-H632 PolarHBondContact O-N 3.39Å; E629-L633 WeakPolarHBondContact O-CB 3.45Å; E629-L633 PolarHBondContact O-N 2.95Å; E629-I667 WeakPolarHBondContact O-CG2 3.45Å; E629-D671 HydrophobicContact CG-CB 4.08Å
630	R	96.6	Very high	93.6	Very high	89 Å²	89	43.1 Å²	43.1	34%	0.336	24%	0.235	S	C	.	.	H	α-helix	trans	-67.8	-35.2	172.7	-72.7	177.4	-171.6	-76.5	-2.6	112.7	S625 S626 M628 L633 E634	S625-R630 VanDerWaalsContact O-CD 3.26Å; S625-R630 WeakPolarHBondContact O-CD 3.44Å; S625-R630 PolarHBondContact O-NE 3.33Å; S626-R630 WeakPolarHBondContact O-CB 3.42Å; S626-R630 VanDerWaalsContact O-CG 3.28Å; S626-R630 WeakPolarHBondContact O-CG 3.43Å; S626-R630 PolarHBondContact O-N 3.44Å; M628-R630 VanDerWaalsContact C-N 3.3Å; M628-R630 PolarHBondContact O-N 3.47Å; R630-L633 PolarHBondContact O-N 3.48Å; R630-E634 WeakPolarHBondContact O-CB 3.1Å; R630-E634 PolarHBondContact O-N 3.48Å
631	H	96.1	Very high	93.5	Very high	29 Å²	29	45.2 Å²	45.2	13%	0.134	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-46.3	173.6	174.4	71.1	0	0	0	111.4	D603 L619 I627 M628 L633 E634 Y635	D603-H631 IonicContact OD2-CD2 2.83Å; D603-H631 IonicContact OD2-CE1 3.22Å; D603-H631 PolarHBondContact OD2-CE1 3Å; D603-H631 IonicContact OD2-NE2 2.75Å; D603-H631 PolarHBondContact OD2-NE2 3.22Å; L619-H631 HydrophobicContact CD1-CB 4.31Å; L619-H631 HydrophobicContact CD2-CB 4.28Å; I627-H631 PolarHBondContact O-N 3.07Å; M628-H631 CarbonylContact O-C 3.59Å; M628-H631 WeakPolarHBondContact O-CA 3.19Å; M628-H631 VanDerWaalsContact O-CB 3.3Å; M628-H631 WeakPolarHBondContact O-CB 3.19Å; M628-H631 PolarHBondContact O-N 3.32Å; H631-L633 VanDerWaalsContact C-N 3.27Å; H631-L633 PolarHBondContact O-N 3.06Å; H631-E634 PolarHBondContact O-N 3.45Å; H631-Y635 WeakPolarHBondContact O-CB 3.48Å; H631-Y635 PolarHBondContact O-N 2.9Å
632	H	97.1	Very high	93.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-40.5	175.3	-54.9	-36.9	0	0	0	111.7	H600 D601 I602 H604 M628 E629 S636 I667	H600-H632 WeakPolarHBondContact O-CB 3.43Å; H600-H632 PolarHBondContact O-CD2 2.9Å; D601-H632 IonicContact OD1-CD2 3.36Å; D601-H632 IonicContact OD1-NE2 3.24Å; I602-H632 HydrophobicContact CG2-CB 4.34Å; I602-H632 PolarHBondContact O-CE1 3.5Å; I602-H632 PolarHBondContact O-ND1 3.03Å; H604-H632 AromaticContact CD2-NE2 3.72Å; M628-H632 VanDerWaalsContact C-CD2 3.47Å; M628-H632 PolarHBondContact O-CD2 3.15Å; M628-H632 PolarHBondContact O-N 3.23Å; M628-H632 PolarHBondContact O-NE2 3.38Å; E629-H632 PolarHBondContact O-N 3.39Å; H632-S636 WeakPolarHBondContact O-CB 3.29Å; H632-S636 PolarHBondContact O-N 2.96Å; H632-S636 PolarHBondContact O-OG 3.36Å; H632-I667 HydrophobicContact CB-CG2 4.02Å
633	L	97.2	Very high	93.3	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-45.7	176	179.9	62.4	0	0	0	112.8	E629 R630 H631 Y635 S636 K637 F663 D664 I667 I668	E629-L633 WeakPolarHBondContact O-CB 3.45Å; E629-L633 PolarHBondContact O-N 2.95Å; R630-L633 PolarHBondContact O-N 3.48Å; H631-L633 VanDerWaalsContact C-N 3.27Å; H631-L633 PolarHBondContact O-N 3.06Å; L633-Y635 VanDerWaalsContact C-N 3.34Å; L633-S636 WeakPolarHBondContact O-CB 3.42Å; L633-S636 PolarHBondContact O-N 3.23Å; L633-K637 HydrophobicContact CG-CD 4.45Å; L633-K637 WeakPolarHBondContact O-CG 3.36Å; L633-K637 PolarHBondContact O-N 3.44Å; L633-F663 HydrophobicContact CD1-CB 4.05Å; L633-D664 WeakPolarHBondContact CD1-OD1 3.43Å; L633-D664 HydrophobicContact CD2-CB 4.2Å; L633-D664 WeakPolarHBondContact CD2-OD1 3.4Å; L633-I667 HydrophobicContact CB-CG2 4.16Å; L633-I667 HydrophobicContact CD1-CB 4.47Å; L633-I667 HydrophobicContact CD1-CD1 4.06Å; L633-I668 HydrophobicContact CD2-CD1 3.99Å; L633-I668 HydrophobicContact CD2-CG1 4.16Å
634	E	94.3	Very high	93.3	Very high	108 Å²	108	43.3 Å²	43.3	51%	0.505	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-40.8	178.7	-170.8	62.7	-160.4	0	0	111.4	R630 H631 S636 K637 T638	R630-E634 WeakPolarHBondContact O-CB 3.1Å; R630-E634 PolarHBondContact O-N 3.48Å; H631-E634 PolarHBondContact O-N 3.45Å; E634-S636 VanDerWaalsContact C-N 3.33Å; E634-S636 PolarHBondContact O-N 3.16Å; E634-K637 PolarHBondContact O-N 3.31Å; E634-T638 PolarHBondContact O-N 3.32Å; E634-T638 PolarHBondContact O-OG1 3.46Å
635	Y	93.5	Very high	93.7	Very high	23 Å²	23	39.6 Å²	39.6	9%	0.09	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-45.9	172.3	-161.8	-67.9	0	0	0	110.6	M453 T456 I602 D603 H631 L633 K637 T638 L639	M453-Y635 HydrophobicContact CE-CE1 4.26Å; M453-Y635 HydrophobicContact CE-CE2 3.8Å; T456-Y635 PolarHBondContact OG1-OH 3.34Å; I602-Y635 HydrophobicContact CD1-CD1 3.64Å; I602-Y635 HydrophobicContact CD1-CE1 3.58Å; I602-Y635 HydrophobicContact CG1-CD1 4.03Å; I602-Y635 HydrophobicContact CG1-CE1 4.06Å; I602-Y635 HydrophobicContact CG2-CD1 3.9Å; I602-Y635 HydrophobicContact CG2-CG 3.98Å; D603-Y635 HydrophobicContact CB-CD2 4.01Å; D603-Y635 HydrophobicContact CB-CE2 4.1Å; H631-Y635 WeakPolarHBondContact O-CB 3.48Å; H631-Y635 PolarHBondContact O-N 2.9Å; L633-Y635 VanDerWaalsContact C-N 3.34Å; Y635-K637 VanDerWaalsContact C-N 3.33Å; Y635-K637 PolarHBondContact O-N 2.88Å; Y635-T638 WeakPolarHBondContact O-CB 3.5Å; Y635-T638 PolarHBondContact O-N 2.89Å; Y635-T638 VanDerWaalsContact O-N 3.16Å; Y635-L639 HydrophobicContact CD1-CD1 4.17Å; Y635-L639 HydrophobicContact CD1-CG 4.14Å; Y635-L639 HydrophobicContact CE1-CD1 4.18Å; Y635-L639 HydrophobicContact CE1-CD2 4.09Å; Y635-L639 HydrophobicContact CE1-CG 4.14Å; Y635-L639 PolarHBondContact O-N 3.2Å; Y635-L639 VanDerWaalsContact O-N 3.09Å
636	S	94.9	Very high	94	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.014	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-40.2	177.4	-59.4	0	0	0	0	112.4	C599 H632 L633 E634 L639 M640	C599-S636 VanDerWaalsContact CB-OG 3.23Å; C599-S636 WeakPolarHBondContact CB-OG 3.37Å; H632-S636 WeakPolarHBondContact O-CB 3.29Å; H632-S636 PolarHBondContact O-N 2.96Å; H632-S636 PolarHBondContact O-OG 3.36Å; L633-S636 WeakPolarHBondContact O-CB 3.42Å; L633-S636 PolarHBondContact O-N 3.23Å; E634-S636 VanDerWaalsContact C-N 3.33Å; E634-S636 PolarHBondContact O-N 3.16Å; S636-L639 WeakPolarHBondContact O-CB 3.25Å; S636-L639 PolarHBondContact O-N 2.81Å; S636-M640 WeakPolarHBondContact O-CG 3.39Å; S636-M640 PolarHBondContact O-N 3.15Å
637	K	93.5	Very high	94.1	Very high	59 Å²	59	37.2 Å²	37.2	26%	0.257	20%	0.195	S	C	.	.	H	α-helix	trans	-66.7	-36.5	175.4	-74.4	178.3	179.1	176.7	0	111.9	L633 E634 Y635 L639 M640 G641 D664	L633-K637 HydrophobicContact CG-CD 4.45Å; L633-K637 WeakPolarHBondContact O-CG 3.36Å; L633-K637 PolarHBondContact O-N 3.44Å; E634-K637 PolarHBondContact O-N 3.31Å; Y635-K637 VanDerWaalsContact C-N 3.33Å; Y635-K637 PolarHBondContact O-N 2.88Å; K637-L639 VanDerWaalsContact C-N 3.31Å; K637-L639 PolarHBondContact O-N 3.36Å; K637-M640 WeakPolarHBondContact O-CB 3.5Å; K637-M640 PolarHBondContact O-N 3.47Å; K637-M640 VanDerWaalsContact O-N 3.1Å; K637-G641 PolarHBondContact O-N 3.4Å; K637-D664 WeakPolarHBondContact CE-OD1 3.49Å; K637-D664 IonicContact NZ-OD1 3.76Å; K637-D664 PolarHBondContact NZ-OD1 3.38Å; K637-D664 IonicContact NZ-OD2 3.89Å; K637-D664 PolarHBondContact NZ-OD2 3.46Å
638	T	91.3	Very high	94.2	Very high	31 Å²	31	37.1 Å²	37.1	19%	0.19	19%	0.194	C	C	.	.	H	α-helix	trans	-59.3	-43.4	172.7	-57.6	0	0	0	0	110.8	Q449 M453 E634 Y635 M640 G641 E642	Q449-T638 PolarHBondContact NE2-OG1 3.16Å; M453-T638 HydrophobicContact CE-CG2 4.49Å; M453-T638 HydrophobicContact CG-CG2 3.95Å; M453-T638 HydrophobicContact SD-CG2 3.72Å; E634-T638 PolarHBondContact O-N 3.32Å; E634-T638 PolarHBondContact O-OG1 3.46Å; Y635-T638 WeakPolarHBondContact O-CB 3.5Å; Y635-T638 PolarHBondContact O-N 2.89Å; Y635-T638 VanDerWaalsContact O-N 3.16Å; T638-M640 VanDerWaalsContact C-N 3.27Å; T638-M640 PolarHBondContact O-N 2.9Å; T638-G641 PolarHBondContact O-N 3.33Å; T638-G641 VanDerWaalsContact O-N 3.11Å; T638-E642 PolarHBondContact O-N 3.45Å
639	L	91.8	Very high	94.2	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-32.7	175	-61.4	178	0	0	0	112.9	M453 T549 V550 I602 Y635 S636 K637 L645	M453-L639 HydrophobicContact SD-CD2 4.42Å; T549-L639 HydrophobicContact CG2-CD2 3.96Å; V550-L639 HydrophobicContact CG2-CD1 4.12Å; I602-L639 HydrophobicContact CD1-CD1 3.92Å; Y635-L639 HydrophobicContact CD1-CD1 4.17Å; Y635-L639 HydrophobicContact CD1-CG 4.14Å; Y635-L639 HydrophobicContact CE1-CD1 4.18Å; Y635-L639 HydrophobicContact CE1-CD2 4.09Å; Y635-L639 HydrophobicContact CE1-CG 4.14Å; Y635-L639 PolarHBondContact O-N 3.2Å; Y635-L639 VanDerWaalsContact O-N 3.09Å; S636-L639 WeakPolarHBondContact O-CB 3.25Å; S636-L639 PolarHBondContact O-N 2.81Å; K637-L639 VanDerWaalsContact C-N 3.31Å; K637-L639 PolarHBondContact O-N 3.36Å; L639-L645 HydrophobicContact CD2-CD1 3.98Å; L639-L645 WeakPolarHBondContact O-CB 3.32Å
640	M	92.9	Very high	94.1	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.039	23%	0.229	C	C	.	.	H	α-helix	trans	-77.3	-22	175.4	-62	179.3	-154.4	0	0	113.5	S636 K637 T638 N646 F648 F656 Q660 F663	S636-M640 WeakPolarHBondContact O-CG 3.39Å; S636-M640 PolarHBondContact O-N 3.15Å; K637-M640 WeakPolarHBondContact O-CB 3.5Å; K637-M640 PolarHBondContact O-N 3.47Å; K637-M640 VanDerWaalsContact O-N 3.1Å; T638-M640 VanDerWaalsContact C-N 3.27Å; T638-M640 PolarHBondContact O-N 2.9Å; M640-N646 WeakPolarHBondContact O-CB 3.45Å; M640-N646 VanDerWaalsContact O-CG 3.28Å; M640-N646 PolarHBondContact O-ND2 3.29Å; M640-N646 VanDerWaalsContact O-ND2 3.1Å; M640-F648 HydrophobicContact CE-CE2 4.3Å; M640-F648 HydrophobicContact CG-CD2 4.35Å; M640-F648 HydrophobicContact CG-CE2 4.49Å; M640-F648 HydrophobicContact SD-CD2 4.36Å; M640-F648 HydrophobicContact SD-CE2 4.37Å; M640-F656 HydrophobicContact CB-CE2 4.47Å; M640-F656 HydrophobicContact CB-CZ 4.18Å; M640-Q660 HydrophobicContact SD-CG 4.4Å; M640-F663 HydrophobicContact CE-CB 4.25Å; M640-F663 HydrophobicContact CE-CD1 3.24Å; M640-F663 HydrophobicContact CE-CD2 3.69Å; M640-F663 HydrophobicContact CE-CE1 3.25Å; M640-F663 HydrophobicContact CE-CE2 3.7Å; M640-F663 HydrophobicContact CE-CG 3.46Å; M640-F663 VanDerWaalsContact CE-CG 3.46Å; M640-F663 HydrophobicContact CE-CZ 3.47Å; M640-F663 VanDerWaalsContact CE-CZ 3.47Å
641	G	90.6	Very high	94.1	Very high	69 Å²	69	39.8 Å²	39.8	71%	0.711	22%	0.219	S	C	*	.	H	α-helix	trans	-74.8	-27.7	177.6	0	0	0	0	0	113.1	K637 T638	K637-G641 PolarHBondContact O-N 3.4Å; T638-G641 PolarHBondContact O-N 3.33Å; T638-G641 VanDerWaalsContact O-N 3.11Å
642	E	89.9	Confident	94.1	Very high	84 Å²	84	45.2 Å²	45.2	39%	0.393	24%	0.244	S	C	.	.	S	Bend	trans	-80.9	118.6	178.3	178.1	71.2	179.3	0	0	111.2	K457 T638 S644 L645 N646	K457-E642 IonicContact NZ-OE1 2.73Å; K457-E642 PolarHBondContact NZ-OE1 3.15Å; T638-E642 PolarHBondContact O-N 3.45Å; E642-S644 VanDerWaalsContact C-N 3.33Å; E642-S644 PolarHBondContact O-N 3.27Å; E642-S644 PolarHBondContact OE1-OG 3.21Å; E642-L645 HydrophobicContact CB-CB 4.2Å; E642-L645 HydrophobicContact CB-CD1 4.16Å; E642-L645 HydrophobicContact CB-CG 4.37Å; E642-L645 HydrophobicContact CG-CB 4.15Å; E642-L645 HydrophobicContact CG-CD1 3.88Å; E642-L645 HydrophobicContact CG-CG 3.9Å; E642-L645 PolarHBondContact O-N 3.37Å; E642-N646 WeakPolarHBondContact O-CB 3.49Å; E642-N646 PolarHBondContact O-N 3.15Å
643	E	89.4	Confident	94	Very high	167 Å²	167	53 Å²	53	78%	0.78	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-45.1	-173.8	-174.6	174.9	-171.4	0	0	112.9	L645 N646	E643-L645 PolarHBondContact O-N 3.04Å; E643-N646 PolarHBondContact O-N 3.42Å
644	S	90.6	Very high	94	Very high	36 Å²	36	62 Å²	62	25%	0.252	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-11.7	-179.2	64.4	0	0	0	0	115.1	K457 E642	K457-S644 WeakPolarHBondContact CE-OG 3.46Å; K457-S644 PolarHBondContact NZ-OG 3.18Å; E642-S644 VanDerWaalsContact C-N 3.33Å; E642-S644 PolarHBondContact O-N 3.27Å; E642-S644 PolarHBondContact OE1-OG 3.21Å
645	L	94.1	Very high	94.1	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-14.5	179.1	-65.8	176.9	0	0	0	112.8	K457 R545 T549 L639 E642 E643 I647	K457-L645 HydrophobicContact CG-CD1 4.44Å; K457-L645 HydrophobicContact CG-CD2 4.41Å; R545-L645 HydrophobicContact CB-CD2 4.31Å; R545-L645 HydrophobicContact CG-CD2 3.68Å; T549-L645 HydrophobicContact CG2-CD1 4.06Å; T549-L645 HydrophobicContact CG2-CD2 4.26Å; T549-L645 WeakPolarHBondContact OG1-CD2 3.42Å; L639-L645 HydrophobicContact CD2-CD1 3.98Å; L639-L645 WeakPolarHBondContact O-CB 3.32Å; E642-L645 HydrophobicContact CB-CB 4.2Å; E642-L645 HydrophobicContact CB-CD1 4.16Å; E642-L645 HydrophobicContact CB-CG 4.37Å; E642-L645 HydrophobicContact CG-CB 4.15Å; E642-L645 HydrophobicContact CG-CD1 3.88Å; E642-L645 HydrophobicContact CG-CG 3.9Å; E642-L645 PolarHBondContact O-N 3.37Å; E643-L645 PolarHBondContact O-N 3.04Å; L645-I647 PolarHBondContact O-N 3.42Å
646	N	96.4	Very high	94.3	Very high	21 Å²	21	60.6 Å²	60.6	11%	0.112	31%	0.305	C	S	.	.			trans	-75.7	94.2	-174.6	-174.6	2.4	0	0	0	112.1	M640 E642 E643 F648 C649	M640-N646 WeakPolarHBondContact O-CB 3.45Å; M640-N646 VanDerWaalsContact O-CG 3.28Å; M640-N646 PolarHBondContact O-ND2 3.29Å; M640-N646 VanDerWaalsContact O-ND2 3.1Å; E642-N646 WeakPolarHBondContact O-CB 3.49Å; E642-N646 PolarHBondContact O-N 3.15Å; E643-N646 PolarHBondContact O-N 3.42Å; N646-F648 PolarHBondContact O-N 2.93Å; N646-F648 WeakPolarHBondContact OD1-CA 3.46Å; N646-F648 VanDerWaalsContact OD1-CB 3.31Å; N646-F648 WeakPolarHBondContact OD1-CB 3.28Å; N646-F648 PolarHBondContact OD1-N 2.82Å; N646-C649 HydrophobicContact CB-CB 4.45Å; N646-C649 VanDerWaalsContact O-CB 3.25Å; N646-C649 WeakPolarHBondContact O-CB 3.45Å; N646-C649 PolarHBondContact O-N 2.73Å; N646-C649 PolarHBondContact OD1-N 3.14Å
647	I	97.5	Very high	94.4	Very high	3 Å²	3	65.1 Å²	65.1	2%	0.015	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-6.4	174.5	63.8	174.7	0	0	0	114.1	V538 T542 L543 W546 F591 A595 L645	V538-I647 HydrophobicContact CG1-CB 3.97Å; V538-I647 HydrophobicContact CG1-CG2 4.36Å; T542-I647 HydrophobicContact CG2-CG2 4.17Å; L543-I647 HydrophobicContact CD1-CG2 4.28Å; W546-I647 HydrophobicContact CB-CG2 3.47Å; W546-I647 VanDerWaalsContact CB-CG2 3.47Å; W546-I647 HydrophobicContact CD2-CD1 3.9Å; W546-I647 HydrophobicContact CD2-CG2 3.95Å; W546-I647 HydrophobicContact CE3-CD1 4.02Å; W546-I647 HydrophobicContact CE3-CG2 4.34Å; W546-I647 HydrophobicContact CG-CD1 4.48Å; W546-I647 HydrophobicContact CG-CG2 3.57Å; W546-I647 HydrophobicContact CH2-CD1 4.22Å; W546-I647 HydrophobicContact CZ2-CD1 4.07Å; W546-I647 HydrophobicContact CZ3-CD1 4.19Å; F591-I647 HydrophobicContact CE2-CD1 3.79Å; F591-I647 HydrophobicContact CE2-CG1 4.46Å; F591-I647 HydrophobicContact CZ-CB 4.28Å; F591-I647 HydrophobicContact CZ-CD1 3.84Å; F591-I647 HydrophobicContact CZ-CG1 3.99Å; A595-I647 HydrophobicContact CB-CD1 4.17Å; L645-I647 PolarHBondContact O-N 3.42Å
648	F	97.4	Very high	94.6	Very high	5 Å²	5	64.8 Å²	64.8	2%	0.022	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	11.4	176.8	-50.7	-70.7	0	0	0	112.9	F591 A595 M640 N646 N650 L651 F656 V659 F663	F591-F648 AromaticContact CD1-CD1 3.89Å; F591-F648 HydrophobicContact CD1-CD1 3.89Å; F591-F648 AromaticContact CD1-CE1 3.58Å; F591-F648 HydrophobicContact CD1-CE1 3.58Å; F591-F648 HydrophobicContact CD2-CE1 4.23Å; F591-F648 AromaticContact CE1-CD1 3.36Å; F591-F648 HydrophobicContact CE1-CD1 3.36Å; F591-F648 AromaticContact CE1-CE1 3.31Å; F591-F648 HydrophobicContact CE1-CE1 3.31Å; F591-F648 HydrophobicContact CE1-CZ 4.47Å; F591-F648 AromaticContact CE2-CE1 3.99Å; F591-F648 HydrophobicContact CE2-CE1 3.99Å; F591-F648 HydrophobicContact CG-CE1 4.03Å; F591-F648 AromaticContact CZ-CD1 3.82Å; F591-F648 HydrophobicContact CZ-CD1 3.82Å; F591-F648 AromaticContact CZ-CE1 3.52Å; F591-F648 HydrophobicContact CZ-CE1 3.52Å; F591-F648 HydrophobicContact CZ-CZ 4.33Å; A595-F648 HydrophobicContact CB-CZ 3.98Å; M640-F648 HydrophobicContact CE-CE2 4.3Å; M640-F648 HydrophobicContact CG-CD2 4.35Å; M640-F648 HydrophobicContact CG-CE2 4.49Å; M640-F648 HydrophobicContact SD-CD2 4.36Å; M640-F648 HydrophobicContact SD-CE2 4.37Å; N646-F648 PolarHBondContact O-N 2.93Å; N646-F648 WeakPolarHBondContact OD1-CA 3.46Å; N646-F648 VanDerWaalsContact OD1-CB 3.31Å; N646-F648 WeakPolarHBondContact OD1-CB 3.28Å; N646-F648 PolarHBondContact OD1-N 2.82Å; F648-N650 PolarHBondContact O-N 3.25Å; F648-N650 VanDerWaalsContact O-N 3.1Å; F648-L651 HydrophobicContact CB-CD1 3.85Å; F648-L651 HydrophobicContact CB-CG 4.15Å; F648-L651 HydrophobicContact CD1-CD1 3.89Å; F648-L651 HydrophobicContact CG-CD1 4.28Å; F648-L651 WeakPolarHBondContact O-CB 3.06Å; F648-L651 WeakPolarHBondContact O-CG 3.5Å; F648-L651 PolarHBondContact O-N 2.79Å; F648-F656 HydrophobicContact CB-CD2 3.76Å; F648-F656 HydrophobicContact CB-CE2 3.91Å; F648-V659 HydrophobicContact CD1-CG1 3.98Å; F648-V659 HydrophobicContact CD1-CG2 4.15Å; F648-V659 HydrophobicContact CD2-CG1 3.92Å; F648-V659 HydrophobicContact CE1-CG1 3.75Å; F648-V659 HydrophobicContact CE1-CG2 4.26Å; F648-V659 HydrophobicContact CE2-CG1 3.7Å; F648-V659 HydrophobicContact CG-CG1 4.06Å; F648-V659 HydrophobicContact CZ-CG1 3.61Å; F648-F663 AromaticContact CE2-CE2 3.98Å; F648-F663 HydrophobicContact CE2-CE2 3.98Å; F648-F663 HydrophobicContact CE2-CZ 4.11Å; F648-F663 AromaticContact CZ-CE2 3.81Å; F648-F663 HydrophobicContact CZ-CE2 3.81Å; F648-F663 HydrophobicContact CZ-CZ 4.14Å
649	C	94.7	Very high	94.9	Very high	51 Å²	51	63.3 Å²	63.3	35%	0.345	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.1	-173.7	63.8	0	0	0	0	114.7	N646	N646-C649 HydrophobicContact CB-CB 4.45Å; N646-C649 VanDerWaalsContact O-CB 3.25Å; N646-C649 WeakPolarHBondContact O-CB 3.45Å; N646-C649 PolarHBondContact O-N 2.73Å; N646-C649 PolarHBondContact OD1-N 3.14Å
650	N	95.9	Very high	95.1	Very high	96 Å²	96	66.2 Å²	66.2	51%	0.513	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	7.2	-177.1	-71.1	-30.3	0	0	0	113.9	K537 F648	K537-N650 PolarHBondContact O-ND2 3.32Å; F648-N650 PolarHBondContact O-N 3.25Å; F648-N650 VanDerWaalsContact O-N 3.1Å
651	L	96.2	Very high	95.3	Very high	23 Å²	23	69.9 Å²	69.9	12%	0.12	35%	0.35	C	S	.	.	S	Bend	trans	-79.8	151.5	176	-64.2	-168.6	0	0	0	112.1	F536 L588 F648 Q655 V659	F536-L651 HydrophobicContact CB-CD2 4.07Å; F536-L651 HydrophobicContact CD1-CD2 3.51Å; F536-L651 HydrophobicContact CE1-CD2 4.23Å; F536-L651 HydrophobicContact CG-CD2 4.01Å; L588-L651 HydrophobicContact CD1-CD1 3.66Å; L588-L651 HydrophobicContact CD1-CD2 4.33Å; F648-L651 HydrophobicContact CB-CD1 3.85Å; F648-L651 HydrophobicContact CB-CG 4.15Å; F648-L651 HydrophobicContact CD1-CD1 3.89Å; F648-L651 HydrophobicContact CG-CD1 4.28Å; F648-L651 WeakPolarHBondContact O-CB 3.06Å; F648-L651 WeakPolarHBondContact O-CG 3.5Å; F648-L651 PolarHBondContact O-N 2.79Å; L651-Q655 HydrophobicContact CB-CB 4.06Å; L651-Q655 HydrophobicContact CD1-CB 4.22Å; L651-V659 HydrophobicContact CD1-CG2 3.83Å
652	Q	96.3	Very high	95.6	Very high	143 Å²	143	67 Å²	67	67%	0.668	32%	0.319	S	S	*	.			trans	-69.6	152.7	169.3	-62.2	177.8	4.8	0	0	110.4	R654 Q655 F656	Q652-R654 VanDerWaalsContact C-N 3.28Å; Q652-R654 PolarHBondContact O-N 3.12Å; Q652-R654 VanDerWaalsContact O-N 3.11Å; Q652-Q655 HydrophobicContact CB-CG 4.36Å; Q652-Q655 WeakPolarHBondContact O-CA 3.44Å; Q652-Q655 WeakPolarHBondContact O-CB 3.35Å; Q652-Q655 PolarHBondContact O-N 2.82Å; Q652-F656 PolarHBondContact O-N 3.28Å
653	K	95.7	Very high	96	Very high	164 Å²	164	63.1 Å²	63.1	71%	0.713	30%	0.301	S	S	*	.	H	α-helix	trans	-45.8	-48.3	179.7	-175.1	176.2	178.5	178.6	0	113.6	Q655 F656 E657	K653-Q655 VanDerWaalsContact C-N 3.34Å; K653-Q655 PolarHBondContact O-N 3.38Å; K653-F656 PolarHBondContact O-N 3.33Å; K653-E657 WeakPolarHBondContact CE-OE1 3.25Å; K653-E657 WeakPolarHBondContact O-CG 3.49Å; K653-E657 PolarHBondContact O-N 2.89Å
654	R	97	Very high	96.4	Very high	200 Å²	200	57.4 Å²	57.4	76%	0.755	28%	0.275	S	S	*	.	H	α-helix	trans	-64.7	-34.1	178.6	-174.4	178.3	-179.9	175.2	1.7	113.7	Q652 T658	Q652-R654 VanDerWaalsContact C-N 3.28Å; Q652-R654 PolarHBondContact O-N 3.12Å; Q652-R654 VanDerWaalsContact O-N 3.11Å; R654-T658 PolarHBondContact O-N 3.02Å; R654-T658 VanDerWaalsContact O-N 3.16Å; R654-T658 PolarHBondContact O-OG1 3Å
655	Q	97.4	Very high	96.6	Very high	59 Å²	59	56.8 Å²	56.8	28%	0.276	27%	0.27	S	S	.	.	H	α-helix	trans	-71.4	-41.7	175.8	-67.1	175.2	-51.9	0	0	110.1	L588 L651 Q652 K653 T658 V659	L588-Q655 HydrophobicContact CD2-CB 3.8Å; L588-Q655 HydrophobicContact CD2-CG 4.03Å; L651-Q655 HydrophobicContact CB-CB 4.06Å; L651-Q655 HydrophobicContact CD1-CB 4.22Å; Q652-Q655 HydrophobicContact CB-CG 4.36Å; Q652-Q655 WeakPolarHBondContact O-CA 3.44Å; Q652-Q655 WeakPolarHBondContact O-CB 3.35Å; Q652-Q655 PolarHBondContact O-N 2.82Å; K653-Q655 VanDerWaalsContact C-N 3.34Å; K653-Q655 PolarHBondContact O-N 3.38Å; Q655-T658 WeakPolarHBondContact O-CB 3.43Å; Q655-T658 PolarHBondContact O-N 2.99Å; Q655-V659 WeakPolarHBondContact O-CG2 3.31Å; Q655-V659 PolarHBondContact O-N 3.04Å
656	F	97.1	Very high	96.8	Very high	43 Å²	43	56.4 Å²	56.4	19%	0.189	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-43.5	176.6	-171.4	-108.9	0	0	0	112.3	M640 F648 Q652 K653 T658 V659 Q660	M640-F656 HydrophobicContact CB-CE2 4.47Å; M640-F656 HydrophobicContact CB-CZ 4.18Å; F648-F656 HydrophobicContact CB-CD2 3.76Å; F648-F656 HydrophobicContact CB-CE2 3.91Å; Q652-F656 PolarHBondContact O-N 3.28Å; K653-F656 PolarHBondContact O-N 3.33Å; F656-T658 VanDerWaalsContact C-N 3.3Å; F656-T658 PolarHBondContact O-N 3.1Å; F656-V659 WeakPolarHBondContact O-CB 3.08Å; F656-V659 PolarHBondContact O-N 3.5Å; F656-V659 VanDerWaalsContact O-N 3.1Å; F656-Q660 HydrophobicContact CD1-CG 4.41Å; F656-Q660 HydrophobicContact CE1-CG 4.16Å; F656-Q660 HydrophobicContact CZ-CG 4.39Å; F656-Q660 WeakPolarHBondContact O-CG 3.37Å; F656-Q660 PolarHBondContact O-N 3.45Å
657	E	97.1	Very high	96.9	Very high	96 Å²	96	55.4 Å²	55.4	45%	0.449	26%	0.263	S	S	.	.	H	α-helix	trans	-58.4	-41.2	172.3	-73.3	168.5	179.8	0	0	111.8	K653 Q660 H661	K653-E657 WeakPolarHBondContact CE-OE1 3.25Å; K653-E657 WeakPolarHBondContact O-CG 3.49Å; K653-E657 PolarHBondContact O-N 2.89Å; E657-Q660 PolarHBondContact O-N 3.2Å; E657-H661 PolarHBondContact O-N 3.47Å
658	T	96.8	Very high	96.8	Very high	52 Å²	52	56.9 Å²	56.9	32%	0.319	27%	0.27	S	S	.	.	H	α-helix	trans	-60.3	-46.9	172.9	-54.8	0	0	0	0	111.1	R654 Q655 F656 Q660 H661 L662	R654-T658 PolarHBondContact O-N 3.02Å; R654-T658 VanDerWaalsContact O-N 3.16Å; R654-T658 PolarHBondContact O-OG1 3Å; Q655-T658 WeakPolarHBondContact O-CB 3.43Å; Q655-T658 PolarHBondContact O-N 2.99Å; F656-T658 VanDerWaalsContact C-N 3.3Å; F656-T658 PolarHBondContact O-N 3.1Å; T658-Q660 PolarHBondContact O-N 3.25Å; T658-H661 PolarHBondContact O-N 3.06Å; T658-L662 HydrophobicContact CG2-CD1 4.25Å; T658-L662 HydrophobicContact CG2-CG 4.32Å; T658-L662 VanDerWaalsContact O-CG 3.31Å; T658-L662 WeakPolarHBondContact O-CG 3.38Å; T658-L662 PolarHBondContact O-N 2.93Å
659	V	97.3	Very high	96.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-45.8	178.3	170.5	0	0	0	0	111.2	L588 A592 F648 L651 Q655 F656 H661 L662 F663	L588-V659 HydrophobicContact CD1-CG2 3.64Å; L588-V659 HydrophobicContact CG-CG2 4.11Å; A592-V659 HydrophobicContact CB-CG1 4.16Å; A592-V659 HydrophobicContact CB-CG2 4.29Å; F648-V659 HydrophobicContact CD1-CG1 3.98Å; F648-V659 HydrophobicContact CD1-CG2 4.15Å; F648-V659 HydrophobicContact CD2-CG1 3.92Å; F648-V659 HydrophobicContact CE1-CG1 3.75Å; F648-V659 HydrophobicContact CE1-CG2 4.26Å; F648-V659 HydrophobicContact CE2-CG1 3.7Å; F648-V659 HydrophobicContact CG-CG1 4.06Å; F648-V659 HydrophobicContact CZ-CG1 3.61Å; L651-V659 HydrophobicContact CD1-CG2 3.83Å; Q655-V659 WeakPolarHBondContact O-CG2 3.31Å; Q655-V659 PolarHBondContact O-N 3.04Å; F656-V659 WeakPolarHBondContact O-CB 3.08Å; F656-V659 PolarHBondContact O-N 3.5Å; F656-V659 VanDerWaalsContact O-N 3.1Å; V659-H661 VanDerWaalsContact C-N 3.34Å; V659-H661 PolarHBondContact O-N 3.49Å; V659-L662 PolarHBondContact O-N 3.03Å; V659-L662 VanDerWaalsContact O-N 3.15Å; V659-F663 HydrophobicContact CG1-CD2 3.92Å; V659-F663 HydrophobicContact CG1-CE2 3.9Å; V659-F663 WeakPolarHBondContact O-CD2 3.43Å; V659-F663 PolarHBondContact O-N 3.35Å
660	Q	97.1	Very high	96.7	Very high	64 Å²	64	54.8 Å²	54.8	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-59.3	-45.3	177.6	-70.7	-177.7	-42.8	0	0	111.6	M640 F656 E657 T658 L662 F663 D664	M640-Q660 HydrophobicContact SD-CG 4.4Å; F656-Q660 HydrophobicContact CD1-CG 4.41Å; F656-Q660 HydrophobicContact CE1-CG 4.16Å; F656-Q660 HydrophobicContact CZ-CG 4.39Å; F656-Q660 WeakPolarHBondContact O-CG 3.37Å; F656-Q660 PolarHBondContact O-N 3.45Å; E657-Q660 PolarHBondContact O-N 3.2Å; T658-Q660 PolarHBondContact O-N 3.25Å; Q660-L662 VanDerWaalsContact C-N 3.34Å; Q660-L662 PolarHBondContact O-N 2.97Å; Q660-F663 PolarHBondContact O-N 3.41Å; Q660-D664 PolarHBondContact O-N 2.85Å; Q660-D664 VanDerWaalsContact O-OD1 3.12Å
661	H	97.4	Very high	96.7	Very high	84 Å²	84	51.3 Å²	51.3	39%	0.389	24%	0.238	S	C	.	.	H	α-helix	trans	-60.9	-40.9	174.6	176.2	68.8	0	0	0	112.5	E657 T658 V659 F663 D664 V665 E710	E657-H661 PolarHBondContact O-N 3.47Å; T658-H661 PolarHBondContact O-N 3.06Å; V659-H661 VanDerWaalsContact C-N 3.34Å; V659-H661 PolarHBondContact O-N 3.49Å; H661-F663 PolarHBondContact O-N 3.12Å; H661-D664 WeakPolarHBondContact O-CB 3.42Å; H661-D664 PolarHBondContact O-N 3.1Å; H661-V665 WeakPolarHBondContact O-CG2 3.47Å; H661-V665 PolarHBondContact O-N 2.89Å; H661-E710 IonicContact CD2-OE1 3.63Å; H661-E710 IonicContact CE1-OE1 3.18Å; H661-E710 IonicContact NE2-OE1 2.77Å; H661-E710 PolarHBondContact NE2-OE1 3.3Å
662	L	97.3	Very high	96.5	Very high	10 Å²	10	53 Å²	53	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-35.5	177.8	-67.3	-175.5	0	0	0	112.6	D589 A592 T658 V659 Q660 V665 C666 M713	D589-L662 HydrophobicContact CB-CD1 4.08Å; A592-L662 HydrophobicContact CB-CB 3.98Å; A592-L662 HydrophobicContact CB-CD1 3.84Å; T658-L662 HydrophobicContact CG2-CD1 4.25Å; T658-L662 HydrophobicContact CG2-CG 4.32Å; T658-L662 VanDerWaalsContact O-CG 3.31Å; T658-L662 WeakPolarHBondContact O-CG 3.38Å; T658-L662 PolarHBondContact O-N 2.93Å; V659-L662 PolarHBondContact O-N 3.03Å; V659-L662 VanDerWaalsContact O-N 3.15Å; Q660-L662 VanDerWaalsContact C-N 3.34Å; Q660-L662 PolarHBondContact O-N 2.97Å; L662-V665 PolarHBondContact O-N 3.24Å; L662-C666 WeakPolarHBondContact O-CB 3.38Å; L662-C666 PolarHBondContact O-N 3.41Å; L662-C666 PolarHBondContact O-SG 3.22Å; L662-M713 HydrophobicContact CD1-CE 4.46Å; L662-M713 HydrophobicContact CD2-CE 3.63Å; L662-M713 HydrophobicContact CD2-SD 3.88Å
663	F	98.1	Very high	96.3	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-44.7	170.9	-93.5	-111.6	0	0	0	111.4	A592 A595 A596 L633 M640 F648 V659 Q660 H661 V665 C666 I667	A592-F663 HydrophobicContact CB-CD2 4.47Å; A592-F663 HydrophobicContact CB-CE2 4.38Å; A592-F663 WeakPolarHBondContact O-CE2 3.33Å; A595-F663 HydrophobicContact CB-CE2 4.04Å; A595-F663 HydrophobicContact CB-CZ 3.61Å; A596-F663 HydrophobicContact CB-CD1 3.9Å; A596-F663 HydrophobicContact CB-CD2 4.04Å; A596-F663 HydrophobicContact CB-CE1 4Å; A596-F663 HydrophobicContact CB-CE2 4.14Å; A596-F663 HydrophobicContact CB-CG 3.94Å; A596-F663 HydrophobicContact CB-CZ 4.13Å; L633-F663 HydrophobicContact CD1-CB 4.05Å; M640-F663 HydrophobicContact CE-CB 4.25Å; M640-F663 HydrophobicContact CE-CD1 3.24Å; M640-F663 HydrophobicContact CE-CD2 3.69Å; M640-F663 HydrophobicContact CE-CE1 3.25Å; M640-F663 HydrophobicContact CE-CE2 3.7Å; M640-F663 HydrophobicContact CE-CG 3.46Å; M640-F663 VanDerWaalsContact CE-CG 3.46Å; M640-F663 HydrophobicContact CE-CZ 3.47Å; M640-F663 VanDerWaalsContact CE-CZ 3.47Å; F648-F663 AromaticContact CE2-CE2 3.98Å; F648-F663 HydrophobicContact CE2-CE2 3.98Å; F648-F663 HydrophobicContact CE2-CZ 4.11Å; F648-F663 AromaticContact CZ-CE2 3.81Å; F648-F663 HydrophobicContact CZ-CE2 3.81Å; F648-F663 HydrophobicContact CZ-CZ 4.14Å; V659-F663 HydrophobicContact CG1-CD2 3.92Å; V659-F663 HydrophobicContact CG1-CE2 3.9Å; V659-F663 WeakPolarHBondContact O-CD2 3.43Å; V659-F663 PolarHBondContact O-N 3.35Å; Q660-F663 PolarHBondContact O-N 3.41Å; H661-F663 PolarHBondContact O-N 3.12Å; F663-V665 VanDerWaalsContact C-N 3.34Å; F663-V665 PolarHBondContact O-N 3.36Å; F663-C666 PolarHBondContact O-N 2.92Å; F663-I667 HydrophobicContact CD1-CD1 3.88Å; F663-I667 WeakPolarHBondContact O-CB 3.13Å; F663-I667 WeakPolarHBondContact O-CG1 3.36Å; F663-I667 PolarHBondContact O-N 3.34Å
664	D	96.7	Very high	96	Very high	46 Å²	46	43.1 Å²	43.1	25%	0.246	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-48.2	175.8	-68	8.7	0	0	0	110.6	L633 K637 Q660 H661 I668	L633-D664 WeakPolarHBondContact CD1-OD1 3.43Å; L633-D664 HydrophobicContact CD2-CB 4.2Å; L633-D664 WeakPolarHBondContact CD2-OD1 3.4Å; K637-D664 WeakPolarHBondContact CE-OD1 3.49Å; K637-D664 IonicContact NZ-OD1 3.76Å; K637-D664 PolarHBondContact NZ-OD1 3.38Å; K637-D664 IonicContact NZ-OD2 3.89Å; K637-D664 PolarHBondContact NZ-OD2 3.46Å; Q660-D664 PolarHBondContact O-N 2.85Å; Q660-D664 VanDerWaalsContact O-OD1 3.12Å; H661-D664 WeakPolarHBondContact O-CB 3.42Å; H661-D664 PolarHBondContact O-N 3.1Å; D664-I668 HydrophobicContact CB-CD1 4.49Å; D664-I668 WeakPolarHBondContact O-CB 3.16Å; D664-I668 WeakPolarHBondContact O-CD1 3.34Å; D664-I668 WeakPolarHBondContact O-CG1 3.46Å; D664-I668 PolarHBondContact O-N 2.86Å; D664-I668 VanDerWaalsContact O-N 3.14Å
665	V	95.8	Very high	95.8	Very high	23 Å²	23	33.7 Å²	33.7	14%	0.139	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-46.5	178.9	172.3	0	0	0	0	111.7	H661 L662 F663 A669 E710 M713	H661-V665 WeakPolarHBondContact O-CG2 3.47Å; H661-V665 PolarHBondContact O-N 2.89Å; L662-V665 PolarHBondContact O-N 3.24Å; F663-V665 VanDerWaalsContact C-N 3.34Å; F663-V665 PolarHBondContact O-N 3.36Å; V665-A669 WeakPolarHBondContact O-CB 3.34Å; V665-A669 PolarHBondContact O-N 3.49Å; V665-E710 HydrophobicContact CG1-CB 4.3Å; V665-E710 HydrophobicContact CG1-CG 4.34Å; V665-E710 HydrophobicContact CG2-CG 4.46Å; V665-M713 HydrophobicContact CG1-SD 4.18Å
666	C	97.2	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.4	-55.1	-176.4	-77.8	0	0	0	0	112	A596 L662 F663 A669 M713 M717	A596-C666 HydrophobicContact CB-CB 3.65Å; L662-C666 WeakPolarHBondContact O-CB 3.38Å; L662-C666 PolarHBondContact O-N 3.41Å; L662-C666 PolarHBondContact O-SG 3.22Å; F663-C666 PolarHBondContact O-N 2.92Å; C666-A669 PolarHBondContact O-N 2.88Å; C666-M713 PolarHBondContact SG-SD 3.08Å; C666-M717 HydrophobicContact CB-CE 3.55Å; C666-M717 WeakPolarHBondContact O-CG 3.28Å
667	I	98.1	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70.7	-41.5	-173	-61.8	-178.5	0	0	0	110.5	A596 H600 E629 H632 L633 F663 A669 T670	A596-I667 HydrophobicContact CB-CG1 4.33Å; H600-I667 HydrophobicContact CB-CG1 4.32Å; E629-I667 WeakPolarHBondContact O-CG2 3.45Å; H632-I667 HydrophobicContact CB-CG2 4.02Å; L633-I667 HydrophobicContact CB-CG2 4.16Å; L633-I667 HydrophobicContact CD1-CB 4.47Å; L633-I667 HydrophobicContact CD1-CD1 4.06Å; F663-I667 HydrophobicContact CD1-CD1 3.88Å; F663-I667 WeakPolarHBondContact O-CB 3.13Å; F663-I667 WeakPolarHBondContact O-CG1 3.36Å; F663-I667 PolarHBondContact O-N 3.34Å; I667-A669 PolarHBondContact O-N 3.48Å; I667-T670 PolarHBondContact O-N 2.98Å; I667-T670 PolarHBondContact O-OG1 3.37Å
668	I	96.3	Very high	94.8	Very high	33 Å²	33	37.6 Å²	37.6	17%	0.169	19%	0.193	C	C	.	.	H	α-helix	trans	-66.8	-27.8	178.2	-62.5	172	0	0	0	111.2	L633 D664 T670 D671 L674	L633-I668 HydrophobicContact CD2-CD1 3.99Å; L633-I668 HydrophobicContact CD2-CG1 4.16Å; D664-I668 HydrophobicContact CB-CD1 4.49Å; D664-I668 WeakPolarHBondContact O-CB 3.16Å; D664-I668 WeakPolarHBondContact O-CD1 3.34Å; D664-I668 WeakPolarHBondContact O-CG1 3.46Å; D664-I668 PolarHBondContact O-N 2.86Å; D664-I668 VanDerWaalsContact O-N 3.14Å; I668-T670 PolarHBondContact O-N 3.03Å; I668-D671 PolarHBondContact O-N 3.15Å; I668-L674 HydrophobicContact CG2-CD1 3.55Å
669	A	94.8	Very high	94.6	Very high	6 Å²	6	38.4 Å²	38.4	5%	0.05	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.9	179.5	0	0	0	0	0	114.9	V665 C666 I667 D671 A714 T718	V665-A669 WeakPolarHBondContact O-CB 3.34Å; V665-A669 PolarHBondContact O-N 3.49Å; C666-A669 PolarHBondContact O-N 2.88Å; I667-A669 PolarHBondContact O-N 3.48Å; A669-D671 PolarHBondContact O-N 2.81Å; A669-A714 HydrophobicContact CB-CB 3.55Å; A669-T718 PolarHBondContact O-OG1 3.09Å
670	T	96	Very high	94.4	Very high	7 Å²	7	42 Å²	42	4%	0.043	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.4	174.2	59.4	0	0	0	0	112	H600 I667 I668 L672 M717	H600-T670 HydrophobicContact CB-CG2 4.11Å; I667-T670 PolarHBondContact O-N 2.98Å; I667-T670 PolarHBondContact O-OG1 3.37Å; I668-T670 PolarHBondContact O-N 3.03Å; T670-L672 PolarHBondContact O-N 2.78Å; T670-L672 VanDerWaalsContact O-N 3.07Å; T670-M717 HydrophobicContact CG2-CG 3.56Å; T670-M717 HydrophobicContact CG2-SD 4.48Å
671	D	95.8	Very high	94.3	Very high	22 Å²	22	43.7 Å²	43.7	12%	0.118	22%	0.222	C	C	.	.			trans	-64.3	111.4	171.8	-176.1	-8.6	0	0	0	111.1	S626 E629 I668 A669 A673 L674 Y675	S626-D671 WeakPolarHBondContact CB-OD2 3.23Å; S626-D671 PolarHBondContact OG-OD2 3.28Å; E629-D671 HydrophobicContact CG-CB 4.08Å; I668-D671 PolarHBondContact O-N 3.15Å; A669-D671 PolarHBondContact O-N 2.81Å; D671-A673 PolarHBondContact O-N 2.8Å; D671-A673 VanDerWaalsContact O-N 3.07Å; D671-A673 VanDerWaalsContact OD1-CB 3.26Å; D671-A673 WeakPolarHBondContact OD1-CB 3.48Å; D671-A673 PolarHBondContact OD1-N 3.33Å; D671-L674 HydrophobicContact CB-CD1 4.42Å; D671-L674 HydrophobicContact CB-CG 4.4Å; D671-L674 WeakPolarHBondContact O-CB 3.24Å; D671-L674 PolarHBondContact O-N 3.47Å; D671-Y675 PolarHBondContact O-N 3.15Å
672	L	91.7	Very high	94.3	Very high	59 Å²	59	39.7 Å²	39.7	31%	0.309	20%	0.203	S	C	.	.	H	α-helix	trans	-57.3	-25.4	179.6	-70.5	177.9	0	0	0	113.5	T670 L674 Y675 F676 T718 L722 V781	T670-L672 PolarHBondContact O-N 2.78Å; T670-L672 VanDerWaalsContact O-N 3.07Å; L672-L674 PolarHBondContact O-N 3.49Å; L672-Y675 HydrophobicContact CD2-CD1 4.25Å; L672-Y675 HydrophobicContact CD2-CG 4.48Å; L672-Y675 WeakPolarHBondContact O-CB 3.39Å; L672-Y675 PolarHBondContact O-N 2.93Å; L672-F676 WeakPolarHBondContact O-CD2 3.31Å; L672-F676 PolarHBondContact O-N 2.95Å; L672-T718 HydrophobicContact CD2-CG2 3.88Å; L672-L722 HydrophobicContact CD2-CD1 4.35Å; L672-V781 HydrophobicContact CD2-CG1 4.24Å
673	A	91.4	Very high	94.2	Very high	56 Å²	56	42.1 Å²	42.1	46%	0.463	21%	0.214	S	C	.	.	H	α-helix	trans	-63.9	-30.1	175.3	0	0	0	0	0	112.3	D671	D671-A673 PolarHBondContact O-N 2.8Å; D671-A673 VanDerWaalsContact O-N 3.07Å; D671-A673 VanDerWaalsContact OD1-CB 3.26Å; D671-A673 WeakPolarHBondContact OD1-CB 3.48Å; D671-A673 PolarHBondContact OD1-N 3.33Å
674	L	90.4	Very high	94.1	Very high	43 Å²	43	47 Å²	47	23%	0.225	24%	0.241	C	C	.	.	H	α-helix	trans	-84.8	-33.8	176.6	-60.8	-179	0	0	0	112	I668 D671 L672 F676 K677 K678	I668-L674 HydrophobicContact CG2-CD1 3.55Å; D671-L674 HydrophobicContact CB-CD1 4.42Å; D671-L674 HydrophobicContact CB-CG 4.4Å; D671-L674 WeakPolarHBondContact O-CB 3.24Å; D671-L674 PolarHBondContact O-N 3.47Å; L672-L674 PolarHBondContact O-N 3.49Å; L674-F676 VanDerWaalsContact C-N 3.34Å; L674-F676 PolarHBondContact O-N 3.28Å; L674-K677 HydrophobicContact CD2-CD 4.46Å; L674-K677 WeakPolarHBondContact O-CB 3.45Å; L674-K677 PolarHBondContact O-N 2.93Å; L674-K677 VanDerWaalsContact O-N 3.09Å; L674-K678 PolarHBondContact O-N 3.44Å
675	Y	92.9	Very high	94	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-51.3	-50.3	173.1	161.3	-106.8	0	0	0	112.1	D671 L672 K677 K678 R679 M715 T718 V781 V785	D671-Y675 PolarHBondContact O-N 3.15Å; L672-Y675 HydrophobicContact CD2-CD1 4.25Å; L672-Y675 HydrophobicContact CD2-CG 4.48Å; L672-Y675 WeakPolarHBondContact O-CB 3.39Å; L672-Y675 PolarHBondContact O-N 2.93Å; Y675-K677 PolarHBondContact O-N 3.04Å; Y675-K677 VanDerWaalsContact O-N 3.12Å; Y675-K678 PolarHBondContact O-N 3.44Å; Y675-R679 HydrophobicContact CE2-CB 4.42Å; Y675-R679 PolarHBondContact O-N 3.28Å; Y675-M715 HydrophobicContact CD2-CE 3.89Å; Y675-M715 HydrophobicContact CD2-SD 3.88Å; Y675-M715 HydrophobicContact CE2-CE 3.43Å; Y675-M715 VanDerWaalsContact CE2-CE 3.43Å; Y675-M715 HydrophobicContact CE2-SD 4.07Å; Y675-T718 HydrophobicContact CD2-CG2 3.77Å; Y675-T718 HydrophobicContact CE2-CG2 4.26Å; Y675-T718 HydrophobicContact CG-CG2 4.03Å; Y675-V781 HydrophobicContact CE1-CG1 4.28Å; Y675-V781 PolarHBondContact OH-O 3.21Å; Y675-V785 HydrophobicContact CE2-CB 4.22Å
676	F	91	Very high	94	Very high	67 Å²	67	44.2 Å²	44.2	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-25.8	-178.9	-72.4	-66.5	0	0	0	113.9	L672 L674 F780 V781	L672-F676 WeakPolarHBondContact O-CD2 3.31Å; L672-F676 PolarHBondContact O-N 2.95Å; L674-F676 VanDerWaalsContact C-N 3.34Å; L674-F676 PolarHBondContact O-N 3.28Å; F676-F780 HydrophobicContact CE1-CD1 4.34Å; F676-F780 AromaticContact CE1-CE1 3.81Å; F676-F780 HydrophobicContact CE1-CE1 3.81Å; F676-F780 HydrophobicContact CE1-CZ 4.37Å; F676-F780 HydrophobicContact CZ-CD1 4.16Å; F676-F780 AromaticContact CZ-CE1 3.71Å; F676-F780 HydrophobicContact CZ-CE1 3.71Å; F676-V781 HydrophobicContact CZ-CG2 4.3Å
677	K	89.6	Confident	93.9	Very high	145 Å²	145	47.6 Å²	47.6	63%	0.63	24%	0.243	S	C	*	.	H	α-helix	trans	-79.3	-32.1	176.3	-62.5	177.1	-177	173.7	0	112.4	L674 Y675	L674-K677 HydrophobicContact CD2-CD 4.46Å; L674-K677 WeakPolarHBondContact O-CB 3.45Å; L674-K677 PolarHBondContact O-N 2.93Å; L674-K677 VanDerWaalsContact O-N 3.09Å; Y675-K677 PolarHBondContact O-N 3.04Å; Y675-K677 VanDerWaalsContact O-N 3.12Å
678	K	89.8	Confident	93.6	Very high	68 Å²	68	49.1 Å²	49.1	30%	0.296	26%	0.255	S	S	.	.	H	α-helix	trans	-90.9	-23	-175.2	-69.3	177.1	-178.9	-89.1	0	113.6	L674 Y675 T680 M681 F682 A714 M715	L674-K678 PolarHBondContact O-N 3.44Å; Y675-K678 PolarHBondContact O-N 3.44Å; K678-T680 VanDerWaalsContact C-N 3.32Å; K678-T680 PolarHBondContact O-N 3.42Å; K678-M681 WeakPolarHBondContact O-CB 3.11Å; K678-M681 PolarHBondContact O-N 3.2Å; K678-F682 PolarHBondContact O-N 3.36Å; K678-A714 HydrophobicContact CD-CB 4.05Å; K678-M715 HydrophobicContact CB-SD 4.48Å
679	R	93.3	Very high	93.4	Very high	69 Å²	69	48 Å²	48	26%	0.26	25%	0.25	S	C	.	.	H	α-helix	trans	-57.2	-37.3	-174.2	79.8	178.6	176.7	170.7	0	114.6	Y675 F682 Q683 M715 F784	Y675-R679 HydrophobicContact CE2-CB 4.42Å; Y675-R679 PolarHBondContact O-N 3.28Å; R679-F682 PolarHBondContact O-N 3.02Å; R679-Q683 PolarHBondContact O-N 3.46Å; R679-M715 HydrophobicContact CB-CE 4.2Å; R679-M715 HydrophobicContact CB-SD 4.47Å; R679-F784 HydrophobicContact CB-CD1 4.08Å; R679-F784 HydrophobicContact CB-CE1 3.5Å; R679-F784 HydrophobicContact CB-CZ 3.94Å; R679-F784 HydrophobicContact CG-CE1 4.15Å; R679-F784 HydrophobicContact CG-CZ 4.18Å; R679-F784 WeakPolarHBondContact O-CZ 3.44Å
680	T	92.8	Very high	93.1	Very high	75 Å²	75	52.7 Å²	52.7	46%	0.46	27%	0.271	S	S	.	.	H	α-helix	trans	-69.6	-36.8	177.8	49.5	0	0	0	0	111.9	K678 F682 Q683 N684	K678-T680 VanDerWaalsContact C-N 3.32Å; K678-T680 PolarHBondContact O-N 3.42Å; T680-F682 VanDerWaalsContact C-N 3.33Å; T680-Q683 PolarHBondContact O-N 2.89Å; T680-N684 VanDerWaalsContact O-CG 3.3Å; T680-N684 PolarHBondContact O-N 3.48Å; T680-N684 VanDerWaalsContact O-N 3.09Å; T680-N684 PolarHBondContact O-ND2 2.89Å
681	M	94.4	Very high	92.9	Very high	100 Å²	100	57.1 Å²	57.1	49%	0.493	30%	0.3	S	S	.	.	H	α-helix	trans	-65.5	-40.5	174.7	-54.9	-177.2	-177.1	0	0	110.8	K678 N684 I685 I711	K678-M681 WeakPolarHBondContact O-CB 3.11Å; K678-M681 PolarHBondContact O-N 3.2Å; M681-N684 PolarHBondContact O-N 3.19Å; M681-I685 WeakPolarHBondContact O-CG1 3.28Å; M681-I685 PolarHBondContact O-N 2.87Å; M681-I685 VanDerWaalsContact O-N 3.14Å; M681-I711 HydrophobicContact CB-CD1 3.95Å; M681-I711 HydrophobicContact CB-CG2 4.39Å; M681-I711 HydrophobicContact SD-CD1 4.15Å
682	F	96.4	Very high	92.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-46.2	174.1	179.3	-117.7	0	0	0	112.2	K678 R679 T680 N684 I685 V686 I711 I712 M715 E788 F789 F792	K678-F682 PolarHBondContact O-N 3.36Å; R679-F682 PolarHBondContact O-N 3.02Å; T680-F682 VanDerWaalsContact C-N 3.33Å; F682-N684 VanDerWaalsContact C-N 3.26Å; F682-N684 PolarHBondContact O-N 3.3Å; F682-I685 WeakPolarHBondContact O-CA 3.42Å; F682-I685 WeakPolarHBondContact O-CB 3.38Å; F682-I685 PolarHBondContact O-N 3.25Å; F682-V686 HydrophobicContact CD1-CG2 4.31Å; F682-V686 HydrophobicContact CD2-CG2 4.34Å; F682-V686 HydrophobicContact CE1-CG2 3.95Å; F682-V686 HydrophobicContact CE2-CG2 3.95Å; F682-V686 HydrophobicContact CZ-CG2 3.74Å; F682-V686 WeakPolarHBondContact O-CG2 3.38Å; F682-V686 PolarHBondContact O-N 2.66Å; F682-I711 HydrophobicContact CB-CG2 3.96Å; F682-I712 HydrophobicContact CD2-CG1 4.16Å; F682-I712 HydrophobicContact CE2-CG1 4.06Å; F682-M715 HydrophobicContact CB-CE 4.31Å; F682-M715 HydrophobicContact CB-CG 3.7Å; F682-M715 HydrophobicContact CB-SD 4.22Å; F682-M715 HydrophobicContact CD1-CB 4.44Å; F682-M715 HydrophobicContact CD1-CE 3.82Å; F682-M715 HydrophobicContact CD1-CG 4.11Å; F682-M715 HydrophobicContact CD2-CB 4.33Å; F682-M715 HydrophobicContact CD2-CG 4.05Å; F682-M715 HydrophobicContact CE1-CE 4.49Å; F682-M715 HydrophobicContact CG-CB 4.27Å; F682-M715 HydrophobicContact CG-CE 4.26Å; F682-M715 HydrophobicContact CG-CG 3.69Å; F682-E788 HydrophobicContact CD1-CB 4.13Å; F682-E788 HydrophobicContact CE1-CB 3.66Å; F682-F789 HydrophobicContact CE1-CD2 4.43Å; F682-F789 HydrophobicContact CE1-CE1 4.5Å; F682-F789 HydrophobicContact CE1-CE2 4.35Å; F682-F789 HydrophobicContact CE1-CZ 4.36Å; F682-F789 HydrophobicContact CE2-CE1 4.14Å; F682-F789 HydrophobicContact CE2-CZ 4.29Å; F682-F789 AromaticContact CZ-CD1 3.84Å; F682-F789 HydrophobicContact CZ-CD1 3.84Å; F682-F789 HydrophobicContact CZ-CD2 4.4Å; F682-F789 AromaticContact CZ-CE1 3.62Å; F682-F789 HydrophobicContact CZ-CE1 3.62Å; F682-F789 HydrophobicContact CZ-CE2 4.2Å; F682-F789 HydrophobicContact CZ-CG 4.21Å; F682-F789 AromaticContact CZ-CZ 3.79Å; F682-F789 HydrophobicContact CZ-CZ 3.79Å; F682-F792 HydrophobicContact CZ-CD1 4.46Å
683	Q	96.1	Very high	91.9	Very high	60 Å²	60	59.5 Å²	59.5	28%	0.28	33%	0.332	S	S	.	.	H	α-helix	trans	-58.5	-38.5	176.8	-168.2	170.3	45	0	0	112.6	R679 T680 I685 V686 N687 F784 E788	R679-Q683 PolarHBondContact O-N 3.46Å; T680-Q683 PolarHBondContact O-N 2.89Å; Q683-I685 VanDerWaalsContact C-N 3.32Å; Q683-I685 PolarHBondContact O-N 3.49Å; Q683-V686 PolarHBondContact O-N 2.9Å; Q683-N687 WeakPolarHBondContact O-CB 3.21Å; Q683-N687 PolarHBondContact O-N 3.06Å; Q683-N687 PolarHBondContact O-ND2 3.41Å; Q683-F784 HydrophobicContact CB-CZ 4.07Å; Q683-E788 PolarHBondContact NE2-OE1 3.11Å
684	N	95.6	Very high	91.7	Very high	106 Å²	106	60.7 Å²	60.7	57%	0.567	33%	0.331	S	S	*	.	H	α-helix	trans	-64.7	-36.8	174.9	-68.9	-21.9	0	0	0	112.3	T680 M681 F682 A688	T680-N684 VanDerWaalsContact O-CG 3.3Å; T680-N684 PolarHBondContact O-N 3.48Å; T680-N684 VanDerWaalsContact O-N 3.09Å; T680-N684 PolarHBondContact O-ND2 2.89Å; M681-N684 PolarHBondContact O-N 3.19Å; F682-N684 VanDerWaalsContact C-N 3.26Å; F682-N684 PolarHBondContact O-N 3.3Å; N684-A688 WeakPolarHBondContact O-CB 3.45Å; N684-A688 PolarHBondContact O-N 3.12Å; N684-A688 VanDerWaalsContact O-N 3.1Å
685	I	95.4	Very high	91.5	Very high	10 Å²	10	64 Å²	64	5%	0.051	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-49.3	173.4	-65.1	166	0	0	0	109.6	M681 F682 Q683 N687 A688 T689 R708 I711 I712	M681-I685 WeakPolarHBondContact O-CG1 3.28Å; M681-I685 PolarHBondContact O-N 2.87Å; M681-I685 VanDerWaalsContact O-N 3.14Å; F682-I685 WeakPolarHBondContact O-CA 3.42Å; F682-I685 WeakPolarHBondContact O-CB 3.38Å; F682-I685 PolarHBondContact O-N 3.25Å; Q683-I685 VanDerWaalsContact C-N 3.32Å; Q683-I685 PolarHBondContact O-N 3.49Å; I685-N687 PolarHBondContact O-N 2.9Å; I685-A688 PolarHBondContact O-N 3.31Å; I685-A688 VanDerWaalsContact O-N 3.13Å; I685-T689 HydrophobicContact CG2-CG2 4.35Å; I685-T689 WeakPolarHBondContact O-CG2 3.1Å; I685-T689 PolarHBondContact O-N 3.44Å; I685-T689 PolarHBondContact O-OG1 3.38Å; I685-R708 HydrophobicContact CD1-CB 4.08Å; I685-R708 HydrophobicContact CD1-CG 4.03Å; I685-R708 HydrophobicContact CG1-CG 4.28Å; I685-I711 HydrophobicContact CD1-CB 4.06Å; I685-I711 HydrophobicContact CD1-CD1 4.18Å; I685-I711 HydrophobicContact CD1-CG2 3.89Å; I685-I712 HydrophobicContact CG2-CD1 4.23Å
686	V	95.1	Very high	91.4	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-57.7	-49.7	179.2	176.3	0	0	0	0	111	F682 Q683 A688 T689 E690 R791 F792	F682-V686 HydrophobicContact CD1-CG2 4.31Å; F682-V686 HydrophobicContact CD2-CG2 4.34Å; F682-V686 HydrophobicContact CE1-CG2 3.95Å; F682-V686 HydrophobicContact CE2-CG2 3.95Å; F682-V686 HydrophobicContact CZ-CG2 3.74Å; F682-V686 WeakPolarHBondContact O-CG2 3.38Å; F682-V686 PolarHBondContact O-N 2.66Å; Q683-V686 PolarHBondContact O-N 2.9Å; V686-A688 PolarHBondContact O-N 2.94Å; V686-T689 WeakPolarHBondContact CA-OG1 3.34Å; V686-T689 PolarHBondContact O-N 2.77Å; V686-T689 VanDerWaalsContact O-N 3.09Å; V686-T689 PolarHBondContact O-OG1 3.31Å; V686-E690 WeakPolarHBondContact O-CB 3.19Å; V686-E690 PolarHBondContact O-N 2.78Å; V686-R791 HydrophobicContact CG1-CB 4.19Å; V686-F792 HydrophobicContact CG1-CB 4.17Å; V686-F792 HydrophobicContact CG2-CB 3.94Å; V686-F792 HydrophobicContact CG2-CD2 4.3Å; V686-F792 HydrophobicContact CG2-CG 4.13Å
687	N	94.9	Very high	91.4	Very high	71 Å²	71	73.6 Å²	73.6	38%	0.38	39%	0.388	S	S	.	.	H	α-helix	trans	-62.3	-29	179	-69.4	-21.6	0	0	0	113.1	Q683 I685 P691 R791	Q683-N687 WeakPolarHBondContact O-CB 3.21Å; Q683-N687 PolarHBondContact O-N 3.06Å; Q683-N687 PolarHBondContact O-ND2 3.41Å; I685-N687 PolarHBondContact O-N 2.9Å; N687-P691 WeakPolarHBondContact O-CD 3.46Å; N687-R791 PolarHBondContact OD1-NH1 3.07Å; N687-R791 PolarHBondContact OD1-NH2 3.14Å
688	A	93	Very high	91.3	Very high	31 Å²	31	67.3 Å²	67.3	26%	0.256	36%	0.363	S	S	.	.	H	α-helix	trans	-77.4	-35.6	174.6	0	0	0	0	0	112	N684 I685 V686 P691 M692 Y701	N684-A688 WeakPolarHBondContact O-CB 3.45Å; N684-A688 PolarHBondContact O-N 3.12Å; N684-A688 VanDerWaalsContact O-N 3.1Å; I685-A688 PolarHBondContact O-N 3.31Å; I685-A688 VanDerWaalsContact O-N 3.13Å; V686-A688 PolarHBondContact O-N 2.94Å; A688-P691 WeakPolarHBondContact O-CD 3.41Å; A688-M692 WeakPolarHBondContact O-CE 3.33Å; A688-Y701 HydrophobicContact CB-CE1 4.2Å
689	T	91.4	Very high	91.5	Very high	10 Å²	10	66.1 Å²	66.1	6%	0.061	36%	0.36	C	S	.	.	H	α-helix	trans	-83.7	-32.1	-177.4	52.8	0	0	0	0	114.2	I685 V686 M692 Y701 I702 F792	I685-T689 HydrophobicContact CG2-CG2 4.35Å; I685-T689 WeakPolarHBondContact O-CG2 3.1Å; I685-T689 PolarHBondContact O-N 3.44Å; I685-T689 PolarHBondContact O-OG1 3.38Å; V686-T689 WeakPolarHBondContact CA-OG1 3.34Å; V686-T689 PolarHBondContact O-N 2.77Å; V686-T689 VanDerWaalsContact O-N 3.09Å; V686-T689 PolarHBondContact O-OG1 3.31Å; T689-M692 HydrophobicContact CG2-SD 4.38Å; T689-M692 WeakPolarHBondContact O-CB 3.34Å; T689-M692 PolarHBondContact O-N 2.95Å; T689-M692 VanDerWaalsContact O-N 3.08Å; T689-Y701 HydrophobicContact CG2-CD1 3.76Å; T689-Y701 HydrophobicContact CG2-CE1 4.06Å; T689-I702 HydrophobicContact CG2-CD1 4.15Å; T689-I702 HydrophobicContact CG2-CG1 4.28Å; T689-F792 HydrophobicContact CG2-CE2 4.24Å; T689-F792 WeakPolarHBondContact OG1-CD2 3.4Å; T689-F792 WeakPolarHBondContact OG1-CE2 3.23Å
690	E	89.1	Confident	91.4	Very high	104 Å²	104	64.7 Å²	64.7	49%	0.486	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-41.9	-179.1	-174.5	178.5	-132.4	0	0	114.3	V686 M692 R791	V686-E690 WeakPolarHBondContact O-CB 3.19Å; V686-E690 PolarHBondContact O-N 2.78Å; E690-M692 VanDerWaalsContact C-N 3.29Å; E690-M692 PolarHBondContact O-N 3.14Å; E690-R791 IonicContact OE1-CZ 3.34Å; E690-R791 IonicContact OE1-NE 3.57Å; E690-R791 PolarHBondContact OE1-NE 3.18Å; E690-R791 IonicContact OE1-NH2 2.93Å; E690-R791 PolarHBondContact OE1-NH2 3.16Å; E690-R791 IonicContact OE2-CZ 3.05Å; E690-R791 IonicContact OE2-NE 3.12Å; E690-R791 IonicContact OE2-NH2 3.79Å; E690-R791 PolarHBondContact OE2-NH2 3.06Å
691	P	90.1	Very high	91.4	Very high	101 Å²	101	64.2 Å²	64.2	66%	0.656	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.4	177.4	31.6	-36.8	0	0	0	114.1	N687 A688 G693	N687-P691 WeakPolarHBondContact O-CD 3.46Å; A688-P691 WeakPolarHBondContact O-CD 3.41Å; P691-G693 PolarHBondContact O-N 3.19Å
692	M	89.9	Confident	91.3	Very high	45 Å²	45	59.5 Å²	59.5	22%	0.222	33%	0.329	C	S	.	.			trans	-74.4	110.2	-179.2	-63.1	175.5	173.2	0	0	109.9	A688 T689 E690 A698 Y701	A688-M692 WeakPolarHBondContact O-CE 3.33Å; T689-M692 HydrophobicContact CG2-SD 4.38Å; T689-M692 WeakPolarHBondContact O-CB 3.34Å; T689-M692 PolarHBondContact O-N 2.95Å; T689-M692 VanDerWaalsContact O-N 3.08Å; E690-M692 VanDerWaalsContact C-N 3.29Å; E690-M692 PolarHBondContact O-N 3.14Å; M692-A698 HydrophobicContact CB-CB 4.38Å; M692-A698 HydrophobicContact SD-CB 4.26Å; M692-Y701 HydrophobicContact CE-CD1 4.3Å; M692-Y701 HydrophobicContact CE-CD2 3.7Å; M692-Y701 HydrophobicContact CE-CE2 4.08Å; M692-Y701 HydrophobicContact CE-CG 3.82Å; M692-Y701 HydrophobicContact SD-CG 4.35Å
693	G	77.5	Confident	91.1	Very high	85 Å²	85	61.4 Å²	61.4	88%	0.876	34%	0.343	S	S	*	.			trans	-76.9	-22.9	-178.1	0	0	0	0	0	114.8	P691	P691-G693 PolarHBondContact O-N 3.19Å
694	D	87.4	Confident	90.9	Very high	82 Å²	82	64.9 Å²	64.9	44%	0.439	36%	0.363	S	S	.	.			trans	-95.9	121.4	175.9	-177.6	14.8	0	0	0	111.2	K696 E697 A698	D694-K696 VanDerWaalsContact C-N 3.25Å; D694-K696 PolarHBondContact O-N 3.04Å; D694-K696 PolarHBondContact OD1-N 3.36Å; D694-K696 VanDerWaalsContact OD1-N 3.09Å; D694-E697 HydrophobicContact CB-CB 4.1Å; D694-E697 WeakPolarHBondContact O-CB 3.34Å; D694-E697 PolarHBondContact O-N 3.24Å; D694-A698 PolarHBondContact O-N 3.41Å
695	E	86.7	Confident	90.9	Very high	113 Å²	113	62 Å²	62	53%	0.528	35%	0.348	S	S	.	.	H	α-helix	trans	-61.4	-33.9	178.7	-176.5	173.7	-155.2	0	0	112.1	K583 A698 I699	K583-E695 IonicContact NZ-OE1 2.71Å; K583-E695 PolarHBondContact NZ-OE1 2.93Å; E695-A698 PolarHBondContact O-N 3.08Å; E695-I699 HydrophobicContact CG-CD1 3.92Å; E695-I699 HydrophobicContact CG-CG1 4.44Å; E695-I699 VanDerWaalsContact O-CG1 3.24Å; E695-I699 WeakPolarHBondContact O-CG1 3.4Å; E695-I699 PolarHBondContact O-N 3.25Å
696	K	89.8	Confident	90.8	Very high	163 Å²	163	65.7 Å²	65.7	71%	0.709	37%	0.373	S	S	*	.	H	α-helix	trans	-67.4	-38.8	178.4	-70.4	-178.6	178.9	176.5	0	112	D694 I699 A700	D694-K696 VanDerWaalsContact C-N 3.25Å; D694-K696 PolarHBondContact O-N 3.04Å; D694-K696 PolarHBondContact OD1-N 3.36Å; D694-K696 VanDerWaalsContact OD1-N 3.09Å; K696-I699 PolarHBondContact O-N 3.48Å; K696-A700 WeakPolarHBondContact O-CB 3.41Å; K696-A700 PolarHBondContact O-N 3.09Å
697	E	90.6	Very high	90.7	Very high	108 Å²	108	71 Å²	71	51%	0.505	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-45.8	176	-172	179.9	-177.5	0	0	110.8	D694 I699 A700 Y701	D694-E697 HydrophobicContact CB-CB 4.1Å; D694-E697 WeakPolarHBondContact O-CB 3.34Å; D694-E697 PolarHBondContact O-N 3.24Å; E697-I699 PolarHBondContact O-N 3.06Å; E697-A700 PolarHBondContact O-N 3.35Å; E697-Y701 WeakPolarHBondContact O-CB 3.41Å; E697-Y701 PolarHBondContact O-N 3.28Å
698	A	88.9	Confident	90.7	Very high	12 Å²	12	70.6 Å²	70.6	10%	0.099	39%	0.393	C	S	.	.	H	α-helix	trans	-61.4	-42	176.3	0	0	0	0	0	112.4	M692 D694 E695 Y701 I702	M692-A698 HydrophobicContact CB-CB 4.38Å; M692-A698 HydrophobicContact SD-CB 4.26Å; D694-A698 PolarHBondContact O-N 3.41Å; E695-A698 PolarHBondContact O-N 3.08Å; A698-Y701 PolarHBondContact O-N 3.2Å; A698-I702 PolarHBondContact O-N 3.41Å
699	I	92.8	Very high	90.8	Very high	44 Å²	44	70.9 Å²	70.9	23%	0.226	39%	0.388	C	S	.	.	H	α-helix	trans	-63.3	-46.4	175.5	-67.5	165.7	0	0	0	111.2	K583 Y584 E695 K696 E697 I702 S703	K583-I699 HydrophobicContact CB-CD1 4.31Å; K583-I699 HydrophobicContact CD-CD1 3.95Å; K583-I699 HydrophobicContact CD-CG1 4.17Å; K583-I699 HydrophobicContact CG-CD1 4.16Å; K583-I699 HydrophobicContact CG-CG1 4.14Å; Y584-I699 HydrophobicContact CD1-CB 4.36Å; Y584-I699 HydrophobicContact CD1-CG1 4.11Å; Y584-I699 HydrophobicContact CD1-CG2 4.38Å; Y584-I699 HydrophobicContact CE1-CB 4.24Å; Y584-I699 HydrophobicContact CE1-CG1 3.68Å; E695-I699 HydrophobicContact CG-CD1 3.92Å; E695-I699 HydrophobicContact CG-CG1 4.44Å; E695-I699 VanDerWaalsContact O-CG1 3.24Å; E695-I699 WeakPolarHBondContact O-CG1 3.4Å; E695-I699 PolarHBondContact O-N 3.25Å; K696-I699 PolarHBondContact O-N 3.48Å; E697-I699 PolarHBondContact O-N 3.06Å; I699-I702 PolarHBondContact O-N 2.94Å; I699-S703 WeakPolarHBondContact O-CB 3.5Å; I699-S703 PolarHBondContact O-N 3.39Å; I699-S703 PolarHBondContact O-OG 3.44Å
700	A	91.9	Very high	91	Very high	39 Å²	39	73 Å²	73	32%	0.322	40%	0.398	S	S	.	.	H	α-helix	trans	-65.2	-39.3	179.5	0	0	0	0	0	111.8	K696 E697 I702 N704	K696-A700 WeakPolarHBondContact O-CB 3.41Å; K696-A700 PolarHBondContact O-N 3.09Å; E697-A700 PolarHBondContact O-N 3.35Å; A700-I702 VanDerWaalsContact C-N 3.26Å; A700-I702 PolarHBondContact O-N 3.09Å; A700-N704 WeakPolarHBondContact O-CB 3.43Å; A700-N704 PolarHBondContact O-N 3.37Å; A700-N704 PolarHBondContact O-ND2 3.26Å
701	Y	92.9	Very high	91.4	Very high	65 Å²	65	68.7 Å²	68.7	26%	0.255	38%	0.378	S	S	.	.	H	α-helix	trans	-57.6	-39.7	177	179	-96.3	0	0	0	112.2	A688 T689 M692 E697 A698 R708	A688-Y701 HydrophobicContact CB-CE1 4.2Å; T689-Y701 HydrophobicContact CG2-CD1 3.76Å; T689-Y701 HydrophobicContact CG2-CE1 4.06Å; M692-Y701 HydrophobicContact CE-CD1 4.3Å; M692-Y701 HydrophobicContact CE-CD2 3.7Å; M692-Y701 HydrophobicContact CE-CE2 4.08Å; M692-Y701 HydrophobicContact CE-CG 3.82Å; M692-Y701 HydrophobicContact SD-CG 4.35Å; E697-Y701 WeakPolarHBondContact O-CB 3.41Å; E697-Y701 PolarHBondContact O-N 3.28Å; A698-Y701 PolarHBondContact O-N 3.2Å; Y701-R708 VanDerWaalsContact CZ-NH1 3.3Å; Y701-R708 PolarHBondContact O-NH1 3.33Å; Y701-R708 PolarHBondContact OH-NH2 3.16Å
702	I	92.7	Very high	91.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-81.6	-52.2	178.4	-63.4	173.9	0	0	0	110.6	Y584 T689 A698 I699 A700 N704 N705 K709 I712 F792	Y584-I702 HydrophobicContact CD1-CB 3.99Å; Y584-I702 HydrophobicContact CD1-CD1 3.9Å; Y584-I702 HydrophobicContact CD1-CG2 4.12Å; Y584-I702 HydrophobicContact CE1-CB 4.47Å; Y584-I702 HydrophobicContact CE1-CD1 3.64Å; Y584-I702 HydrophobicContact CE2-CD1 4.31Å; Y584-I702 HydrophobicContact CG-CB 4.49Å; Y584-I702 HydrophobicContact CG-CD1 4.34Å; Y584-I702 HydrophobicContact CG-CG2 4.11Å; T689-I702 HydrophobicContact CG2-CD1 4.15Å; T689-I702 HydrophobicContact CG2-CG1 4.28Å; A698-I702 PolarHBondContact O-N 3.41Å; I699-I702 PolarHBondContact O-N 2.94Å; A700-I702 VanDerWaalsContact C-N 3.26Å; A700-I702 PolarHBondContact O-N 3.09Å; I702-N704 VanDerWaalsContact C-N 3.3Å; I702-N704 PolarHBondContact O-N 3.13Å; I702-N705 PolarHBondContact O-N 3.1Å; I702-N705 VanDerWaalsContact O-N 3.12Å; I702-N705 VanDerWaalsContact O-O 3.11Å; I702-K709 HydrophobicContact CG2-CG 4.09Å; I702-I712 HydrophobicContact CD1-CD1 3.88Å; I702-I712 HydrophobicContact CG1-CD1 4.19Å; I702-I712 HydrophobicContact CG2-CD1 3.57Å; I702-F792 HydrophobicContact CD1-CE2 3.86Å; I702-F792 HydrophobicContact CD1-CZ 3.43Å; I702-F792 VanDerWaalsContact CD1-CZ 3.43Å
703	S	91.5	Very high	92	Very high	40 Å²	40	61.9 Å²	61.9	28%	0.28	34%	0.336	S	S	.	.	H	α-helix	trans	-67.1	-29.3	-168.7	-53.2	0	0	0	0	113.4	I699 N705	I699-S703 WeakPolarHBondContact O-CB 3.5Å; I699-S703 PolarHBondContact O-N 3.39Å; I699-S703 PolarHBondContact O-OG 3.44Å; S703-N705 VanDerWaalsContact C-N 3.27Å; S703-N705 PolarHBondContact O-N 3.19Å
704	N	91.9	Very high	92.9	Very high	133 Å²	133	58 Å²	58	71%	0.711	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-9.9	178.9	-67.1	-19.2	0	0	0	113.4	A700 I702	A700-N704 WeakPolarHBondContact O-CB 3.43Å; A700-N704 PolarHBondContact O-N 3.37Å; A700-N704 PolarHBondContact O-ND2 3.26Å; I702-N704 VanDerWaalsContact C-N 3.3Å; I702-N704 PolarHBondContact O-N 3.13Å
705	N	94.9	Very high	93.4	Very high	47 Å²	47	54.1 Å²	54.1	25%	0.251	28%	0.275	S	S	.	.			trans	-119.5	108.8	-179.6	-171	-50.3	0	0	0	110.7	I702 S703 I707 R708 K709	I702-N705 PolarHBondContact O-N 3.1Å; I702-N705 VanDerWaalsContact O-N 3.12Å; I702-N705 VanDerWaalsContact O-O 3.11Å; S703-N705 VanDerWaalsContact C-N 3.27Å; S703-N705 PolarHBondContact O-N 3.19Å; N705-I707 VanDerWaalsContact C-N 3.28Å; N705-I707 PolarHBondContact O-N 3.35Å; N705-I707 WeakPolarHBondContact OD1-CA 3.34Å; N705-I707 WeakPolarHBondContact OD1-CB 3.43Å; N705-I707 PolarHBondContact OD1-N 2.93Å; N705-R708 HydrophobicContact CB-CB 4.18Å; N705-R708 HydrophobicContact CB-CG 3.93Å; N705-R708 PolarHBondContact O-N 3.35Å; N705-R708 PolarHBondContact OD1-N 3.42Å; N705-K709 PolarHBondContact O-N 3.47Å
706	P	93	Very high	93.9	Very high	87 Å²	87	48.7 Å²	48.7	57%	0.565	25%	0.25	S	S	*	.	H	α-helix	trans	-61.7	-35.2	-177.6	24	-32.8	0	0	0	112.7	R708 K709 E710	P706-R708 VanDerWaalsContact C-N 3.35Å; P706-R708 PolarHBondContact O-N 2.95Å; P706-K709 WeakPolarHBondContact O-CB 3.26Å; P706-K709 PolarHBondContact O-N 3.46Å; P706-E710 WeakPolarHBondContact O-CG 3.32Å; P706-E710 PolarHBondContact O-N 2.95Å
707	I	93.9	Very high	94.3	Very high	110 Å²	110	41 Å²	41	56%	0.564	22%	0.216	S	C	*	.	H	α-helix	trans	-64.7	-40.5	179.7	-59.5	168.9	0	0	0	110.7	N705 E710 I711	N705-I707 VanDerWaalsContact C-N 3.28Å; N705-I707 PolarHBondContact O-N 3.35Å; N705-I707 WeakPolarHBondContact OD1-CA 3.34Å; N705-I707 WeakPolarHBondContact OD1-CB 3.43Å; N705-I707 PolarHBondContact OD1-N 2.93Å; I707-E710 PolarHBondContact O-N 2.74Å; I707-I711 HydrophobicContact CG2-CD1 3.81Å; I707-I711 HydrophobicContact CG2-CG1 4.42Å; I707-I711 VanDerWaalsContact O-CG1 3.27Å; I707-I711 WeakPolarHBondContact O-CG1 3.3Å; I707-I711 PolarHBondContact O-N 3.37Å
708	R	95.3	Very high	94.6	Very high	64 Å²	64	35.9 Å²	35.9	24%	0.242	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-44.3	177	-67	-178.7	-173.1	148.7	-1.6	111.1	I685 Y701 N705 P706 E710 I711 I712	I685-R708 HydrophobicContact CD1-CB 4.08Å; I685-R708 HydrophobicContact CD1-CG 4.03Å; I685-R708 HydrophobicContact CG1-CG 4.28Å; Y701-R708 VanDerWaalsContact CZ-NH1 3.3Å; Y701-R708 PolarHBondContact O-NH1 3.33Å; Y701-R708 PolarHBondContact OH-NH2 3.16Å; N705-R708 HydrophobicContact CB-CB 4.18Å; N705-R708 HydrophobicContact CB-CG 3.93Å; N705-R708 PolarHBondContact O-N 3.35Å; N705-R708 PolarHBondContact OD1-N 3.42Å; P706-R708 VanDerWaalsContact C-N 3.35Å; P706-R708 PolarHBondContact O-N 2.95Å; R708-E710 VanDerWaalsContact C-N 3.33Å; R708-E710 PolarHBondContact O-N 2.82Å; R708-I711 PolarHBondContact O-N 3.4Å; R708-I712 VanDerWaalsContact O-CG1 3.28Å; R708-I712 WeakPolarHBondContact O-CG1 3.47Å; R708-I712 PolarHBondContact O-N 3.43Å
709	K	94.9	Very high	94.9	Very high	37 Å²	37	35.4 Å²	35.4	16%	0.161	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-44.7	175.7	-71.8	-175.9	62.7	175.5	0	112	Y584 Y585 D589 I702 N705 P706 I712 M713	Y584-K709 WeakPolarHBondContact O-CE 3.44Å; Y584-K709 PolarHBondContact O-NZ 3.49Å; Y585-K709 VanDerWaalsContact CD1-CE 3.47Å; Y585-K709 HydrophobicContact CE1-CB 4.06Å; Y585-K709 HydrophobicContact CE1-CG 4.46Å; Y585-K709 PolarHBondContact OH-O 3.13Å; D589-K709 IonicContact OD2-NZ 3.5Å; D589-K709 PolarHBondContact OD2-NZ 2.71Å; I702-K709 HydrophobicContact CG2-CG 4.09Å; N705-K709 PolarHBondContact O-N 3.47Å; P706-K709 WeakPolarHBondContact O-CB 3.26Å; P706-K709 PolarHBondContact O-N 3.46Å; K709-I712 PolarHBondContact O-N 2.94Å; K709-M713 VanDerWaalsContact O-CB 3.23Å; K709-M713 WeakPolarHBondContact O-CB 3.36Å; K709-M713 PolarHBondContact O-N 2.88Å
710	E	95.8	Very high	95.2	Very high	54 Å²	54	33.3 Å²	33.3	25%	0.252	18%	0.178	S	C	.	.	H	α-helix	trans	-67.9	-38.2	179	-74.8	179.9	-169	0	0	112.7	H661 V665 P706 I707 R708 M713 A714	H661-E710 IonicContact CD2-OE1 3.63Å; H661-E710 IonicContact CE1-OE1 3.18Å; H661-E710 IonicContact NE2-OE1 2.77Å; H661-E710 PolarHBondContact NE2-OE1 3.3Å; V665-E710 HydrophobicContact CG1-CB 4.3Å; V665-E710 HydrophobicContact CG1-CG 4.34Å; V665-E710 HydrophobicContact CG2-CG 4.46Å; P706-E710 WeakPolarHBondContact O-CG 3.32Å; P706-E710 PolarHBondContact O-N 2.95Å; I707-E710 PolarHBondContact O-N 2.74Å; R708-E710 VanDerWaalsContact C-N 3.33Å; R708-E710 PolarHBondContact O-N 2.82Å; E710-M713 PolarHBondContact O-N 3.12Å; E710-A714 WeakPolarHBondContact O-CB 3.45Å; E710-A714 PolarHBondContact O-N 3.02Å
711	I	96.4	Very high	95.5	Very high	13 Å²	13	32.5 Å²	32.5	7%	0.067	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-47.5	174.7	-69.9	163.2	0	0	0	110	M681 F682 I685 I707 R708 M713 A714 M715	M681-I711 HydrophobicContact CB-CD1 3.95Å; M681-I711 HydrophobicContact CB-CG2 4.39Å; M681-I711 HydrophobicContact SD-CD1 4.15Å; F682-I711 HydrophobicContact CB-CG2 3.96Å; I685-I711 HydrophobicContact CD1-CB 4.06Å; I685-I711 HydrophobicContact CD1-CD1 4.18Å; I685-I711 HydrophobicContact CD1-CG2 3.89Å; I707-I711 HydrophobicContact CG2-CD1 3.81Å; I707-I711 HydrophobicContact CG2-CG1 4.42Å; I707-I711 VanDerWaalsContact O-CG1 3.27Å; I707-I711 WeakPolarHBondContact O-CG1 3.3Å; I707-I711 PolarHBondContact O-N 3.37Å; R708-I711 PolarHBondContact O-N 3.4Å; I711-M713 VanDerWaalsContact C-N 3.31Å; I711-M713 PolarHBondContact O-N 2.98Å; I711-A714 PolarHBondContact O-N 2.9Å; I711-M715 VanDerWaalsContact O-CG 3.24Å; I711-M715 WeakPolarHBondContact O-CG 3.44Å; I711-M715 PolarHBondContact O-N 2.9Å
712	I	96.6	Very high	95.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.6	-42.5	177.6	-62.6	164.2	0	0	0	110	Y585 F682 I685 I702 R708 K709 A714 M715 M716 F792	Y585-I712 WeakPolarHBondContact OH-CB 2.92Å; Y585-I712 WeakPolarHBondContact OH-CG2 3.26Å; F682-I712 HydrophobicContact CD2-CG1 4.16Å; F682-I712 HydrophobicContact CE2-CG1 4.06Å; I685-I712 HydrophobicContact CG2-CD1 4.23Å; I702-I712 HydrophobicContact CD1-CD1 3.88Å; I702-I712 HydrophobicContact CG1-CD1 4.19Å; I702-I712 HydrophobicContact CG2-CD1 3.57Å; R708-I712 VanDerWaalsContact O-CG1 3.28Å; R708-I712 WeakPolarHBondContact O-CG1 3.47Å; R708-I712 PolarHBondContact O-N 3.43Å; K709-I712 PolarHBondContact O-N 2.94Å; I712-A714 PolarHBondContact O-N 3.37Å; I712-M715 PolarHBondContact O-N 3.38Å; I712-M716 HydrophobicContact CG2-CG 4.17Å; I712-M716 HydrophobicContact CG2-SD 3.95Å; I712-M716 WeakPolarHBondContact O-CB 3.43Å; I712-M716 VanDerWaalsContact O-CG 3.24Å; I712-M716 WeakPolarHBondContact O-CG 3.32Å; I712-M716 PolarHBondContact O-N 3.17Å; I712-F792 HydrophobicContact CD1-CZ 4.42Å
713	M	96.9	Very high	95.8	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-46.3	177.7	-179.5	-176.5	-63.1	0	0	112	Y585 M593 L662 V665 C666 K709 E710 I711 M715 M716 M717	Y585-M713 HydrophobicContact CD1-CE 4.2Å; Y585-M713 HydrophobicContact CE1-CB 4.45Å; Y585-M713 HydrophobicContact CE1-CE 3.81Å; Y585-M713 PolarHBondContact OH-N 2.93Å; M593-M713 HydrophobicContact CE-CG 4.03Å; M593-M713 HydrophobicContact CG-CE 3.75Å; M593-M713 HydrophobicContact CG-CG 4.02Å; M593-M713 HydrophobicContact CG-SD 3.94Å; M593-M713 HydrophobicContact SD-CE 3.55Å; M593-M713 VanDerWaalsContact SD-CE 3.55Å; M593-M713 HydrophobicContact SD-CG 4.09Å; M593-M713 HydrophobicContact SD-SD 4.33Å; L662-M713 HydrophobicContact CD1-CE 4.46Å; L662-M713 HydrophobicContact CD2-CE 3.63Å; L662-M713 HydrophobicContact CD2-SD 3.88Å; V665-M713 HydrophobicContact CG1-SD 4.18Å; C666-M713 PolarHBondContact SG-SD 3.08Å; K709-M713 VanDerWaalsContact O-CB 3.23Å; K709-M713 WeakPolarHBondContact O-CB 3.36Å; K709-M713 PolarHBondContact O-N 2.88Å; E710-M713 PolarHBondContact O-N 3.12Å; I711-M713 VanDerWaalsContact C-N 3.31Å; I711-M713 PolarHBondContact O-N 2.98Å; M713-M715 PolarHBondContact O-N 3.04Å; M713-M716 WeakPolarHBondContact O-CB 3.37Å; M713-M716 PolarHBondContact O-N 3.35Å; M713-M717 PolarHBondContact O-N 2.92Å
714	A	96.7	Very high	96	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-60.3	-45.4	175.9	0	0	0	0	0	111.5	A669 K678 E710 I711 I712 M717 T718	A669-A714 HydrophobicContact CB-CB 3.55Å; K678-A714 HydrophobicContact CD-CB 4.05Å; E710-A714 WeakPolarHBondContact O-CB 3.45Å; E710-A714 PolarHBondContact O-N 3.02Å; I711-A714 PolarHBondContact O-N 2.9Å; I712-A714 PolarHBondContact O-N 3.37Å; A714-M717 PolarHBondContact O-N 2.96Å; A714-T718 PolarHBondContact O-N 3.45Å; A714-T718 PolarHBondContact O-OG1 2.81Å
715	M	97	Very high	96.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-66.9	-36.4	177.5	-64.7	-63.9	-59.6	0	0	112.4	Y675 K678 R679 F682 I711 I712 M713 M717 G719 F784 V785 F789	Y675-M715 HydrophobicContact CD2-CE 3.89Å; Y675-M715 HydrophobicContact CD2-SD 3.88Å; Y675-M715 HydrophobicContact CE2-CE 3.43Å; Y675-M715 VanDerWaalsContact CE2-CE 3.43Å; Y675-M715 HydrophobicContact CE2-SD 4.07Å; K678-M715 HydrophobicContact CB-SD 4.48Å; R679-M715 HydrophobicContact CB-CE 4.2Å; R679-M715 HydrophobicContact CB-SD 4.47Å; F682-M715 HydrophobicContact CB-CE 4.31Å; F682-M715 HydrophobicContact CB-CG 3.7Å; F682-M715 HydrophobicContact CB-SD 4.22Å; F682-M715 HydrophobicContact CD1-CB 4.44Å; F682-M715 HydrophobicContact CD1-CE 3.82Å; F682-M715 HydrophobicContact CD1-CG 4.11Å; F682-M715 HydrophobicContact CD2-CB 4.33Å; F682-M715 HydrophobicContact CD2-CG 4.05Å; F682-M715 HydrophobicContact CE1-CE 4.49Å; F682-M715 HydrophobicContact CG-CB 4.27Å; F682-M715 HydrophobicContact CG-CE 4.26Å; F682-M715 HydrophobicContact CG-CG 3.69Å; I711-M715 VanDerWaalsContact O-CG 3.24Å; I711-M715 WeakPolarHBondContact O-CG 3.44Å; I711-M715 PolarHBondContact O-N 2.9Å; I712-M715 PolarHBondContact O-N 3.38Å; M713-M715 PolarHBondContact O-N 3.04Å; M715-M717 VanDerWaalsContact C-N 3.34Å; M715-G719 PolarHBondContact O-N 3.08Å; M715-F784 HydrophobicContact CE-CE1 4.25Å; M715-V785 HydrophobicContact CE-CB 4.43Å; M715-V785 HydrophobicContact CE-CG2 4.04Å; M715-F789 HydrophobicContact CB-CE2 4.07Å; M715-F789 HydrophobicContact CB-CZ 3.9Å; M715-F789 WeakPolarHBondContact O-CE2 3.44Å
716	M	97.4	Very high	96.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.2	-44.6	173.2	-75.6	175.9	64.8	0	0	109.9	M572 L575 L576 L581 Y585 M593 I712 M713 G719 C720 F789	M572-M716 HydrophobicContact CE-CB 4.25Å; M572-M716 HydrophobicContact SD-CB 4.49Å; M572-M716 HydrophobicContact SD-CE 3.79Å; L575-M716 HydrophobicContact CB-CE 3.93Å; L575-M716 HydrophobicContact CD1-CB 4.36Å; L575-M716 HydrophobicContact CD1-CE 4.22Å; L575-M716 HydrophobicContact CD1-CG 4.43Å; L576-M716 HydrophobicContact CD2-CE 4.13Å; L576-M716 HydrophobicContact CG-CE 4.41Å; L581-M716 HydrophobicContact CB-CE 4.14Å; L581-M716 HydrophobicContact CB-SD 4.38Å; L581-M716 HydrophobicContact CD1-CE 3.7Å; L581-M716 HydrophobicContact CD1-CG 4.15Å; L581-M716 HydrophobicContact CD1-SD 3.77Å; Y585-M716 HydrophobicContact CE2-SD 3.99Å; M593-M716 HydrophobicContact CE-CE 3.74Å; M593-M716 HydrophobicContact CE-SD 4.04Å; I712-M716 HydrophobicContact CG2-CG 4.17Å; I712-M716 HydrophobicContact CG2-SD 3.95Å; I712-M716 WeakPolarHBondContact O-CB 3.43Å; I712-M716 VanDerWaalsContact O-CG 3.24Å; I712-M716 WeakPolarHBondContact O-CG 3.32Å; I712-M716 PolarHBondContact O-N 3.17Å; M713-M716 WeakPolarHBondContact O-CB 3.37Å; M713-M716 PolarHBondContact O-N 3.35Å; M716-G719 CarbonylContact O-C 3.27Å; M716-G719 PolarHBondContact O-N 3.47Å; M716-G719 VanDerWaalsContact O-N 3.16Å; M716-C720 PolarHBondContact O-N 3.4Å; M716-C720 PolarHBondContact O-SG 3.42Å; M716-F789 HydrophobicContact CB-CZ 4.3Å; M716-F789 HydrophobicContact CG-CE1 3.81Å; M716-F789 HydrophobicContact CG-CZ 3.61Å
717	M	97.8	Very high	96.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-48.4	178.9	-170.2	59.2	82.2	0	0	111.8	V568 M572 A596 A597 C666 T670 M713 A714 M715 G719 C720 D721	V568-M717 HydrophobicContact CG1-SD 4.22Å; M572-M717 HydrophobicContact CE-CB 4.27Å; M572-M717 HydrophobicContact CE-CE 3.77Å; M572-M717 HydrophobicContact CE-SD 3.86Å; A596-M717 HydrophobicContact CB-CE 4.37Å; A597-M717 HydrophobicContact CB-CE 3.82Å; A597-M717 HydrophobicContact CB-SD 4.05Å; C666-M717 HydrophobicContact CB-CE 3.55Å; C666-M717 WeakPolarHBondContact O-CG 3.28Å; T670-M717 HydrophobicContact CG2-CG 3.56Å; T670-M717 HydrophobicContact CG2-SD 4.48Å; M713-M717 PolarHBondContact O-N 2.92Å; A714-M717 PolarHBondContact O-N 2.96Å; M715-M717 VanDerWaalsContact C-N 3.34Å; M717-G719 VanDerWaalsContact C-N 3.28Å; M717-G719 PolarHBondContact O-N 3.34Å; M717-C720 WeakPolarHBondContact O-CB 3.5Å; M717-C720 PolarHBondContact O-N 2.95Å; M717-C720 VanDerWaalsContact O-N 3.09Å; M717-D721 WeakPolarHBondContact O-CB 3.32Å; M717-D721 PolarHBondContact O-N 2.93Å
718	T	96.5	Very high	96.5	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-60.5	-38.1	174	-46.7	0	0	0	0	112	A669 L672 Y675 A714 C720 D721 L722	A669-T718 PolarHBondContact O-OG1 3.09Å; L672-T718 HydrophobicContact CD2-CG2 3.88Å; Y675-T718 HydrophobicContact CD2-CG2 3.77Å; Y675-T718 HydrophobicContact CE2-CG2 4.26Å; Y675-T718 HydrophobicContact CG-CG2 4.03Å; A714-T718 PolarHBondContact O-N 3.45Å; A714-T718 PolarHBondContact O-OG1 2.81Å; T718-C720 VanDerWaalsContact C-N 3.32Å; T718-C720 PolarHBondContact O-N 3.14Å; T718-D721 PolarHBondContact O-N 2.97Å; T718-L722 HydrophobicContact CG2-CD1 4.15Å; T718-L722 HydrophobicContact CG2-CG 4.5Å; T718-L722 WeakPolarHBondContact O-CG 3.32Å; T718-L722 PolarHBondContact O-N 3.18Å; T718-L722 VanDerWaalsContact O-N 3.08Å
719	G	96.5	Very high	96.6	Very high	2 Å²	2	15.7 Å²	15.7	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-66.3	-31.4	175.3	0	0	0	0	0	113.5	M715 M716 M717 S723 Y786	M715-G719 PolarHBondContact O-N 3.08Å; M716-G719 CarbonylContact O-C 3.27Å; M716-G719 PolarHBondContact O-N 3.47Å; M716-G719 VanDerWaalsContact O-N 3.16Å; M717-G719 VanDerWaalsContact C-N 3.28Å; M717-G719 PolarHBondContact O-N 3.34Å; G719-S723 PolarHBondContact O-N 3.09Å; G719-Y786 PolarHBondContact O-OH 2.86Å
720	C	98.2	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-73.5	-46.1	173.7	-67.5	0	0	0	0	111.7	V568 T571 M572 L575 M716 M717 T718 L722 S723	V568-C720 HydrophobicContact CG1-CB 3.8Å; T571-C720 HydrophobicContact CG2-CB 4.23Å; M572-C720 WeakPolarHBondContact CA-SG 3.44Å; M572-C720 PolarHBondContact N-SG 2.98Å; M572-C720 VanDerWaalsContact N-SG 3.36Å; L575-C720 WeakPolarHBondContact CD1-SG 3.34Å; M716-C720 PolarHBondContact O-N 3.4Å; M716-C720 PolarHBondContact O-SG 3.42Å; M717-C720 WeakPolarHBondContact O-CB 3.5Å; M717-C720 PolarHBondContact O-N 2.95Å; M717-C720 VanDerWaalsContact O-N 3.09Å; T718-C720 VanDerWaalsContact C-N 3.32Å; T718-C720 PolarHBondContact O-N 3.14Å; C720-L722 VanDerWaalsContact C-N 3.31Å; C720-L722 PolarHBondContact O-N 3.08Å; C720-S723 WeakPolarHBondContact O-CB 3.42Å; C720-S723 PolarHBondContact O-N 2.76Å; C720-S723 PolarHBondContact O-OG 2.95Å
721	D	98.1	Very high	96.5	Very high	21 Å²	21	18.1 Å²	18.1	11%	0.112	10%	0.096	C	C	.	.	H	α-helix	trans	-54.9	-47.8	177.6	178	12.6	0	0	0	111	H564 M717 T718 S723	H564-D721 IonicContact CE1-OD1 3.36Å; H564-D721 PolarHBondContact CE1-OD1 2.95Å; H564-D721 IonicContact NE2-OD1 2.9Å; M717-D721 WeakPolarHBondContact O-CB 3.32Å; M717-D721 PolarHBondContact O-N 2.93Å; T718-D721 PolarHBondContact O-N 2.97Å; D721-S723 VanDerWaalsContact C-N 3.26Å; D721-S723 PolarHBondContact O-N 3.32Å
722	L	96.6	Very high	96.5	Very high	20 Å²	20	17.7 Å²	17.7	11%	0.105	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-80.7	2.4	179.3	-58.3	-177.1	0	0	0	114.6	L672 T718 C720 A724 I725 F777 V781 Y786	L672-L722 HydrophobicContact CD2-CD1 4.35Å; T718-L722 HydrophobicContact CG2-CD1 4.15Å; T718-L722 HydrophobicContact CG2-CG 4.5Å; T718-L722 WeakPolarHBondContact O-CG 3.32Å; T718-L722 PolarHBondContact O-N 3.18Å; T718-L722 VanDerWaalsContact O-N 3.08Å; C720-L722 VanDerWaalsContact C-N 3.31Å; C720-L722 PolarHBondContact O-N 3.08Å; L722-A724 PolarHBondContact O-N 3.4Å; L722-I725 WeakPolarHBondContact O-CG2 3.4Å; L722-I725 PolarHBondContact O-N 3.37Å; L722-I725 VanDerWaalsContact O-N 3.14Å; L722-F777 HydrophobicContact CD1-CZ 4.45Å; L722-F777 HydrophobicContact CD2-CZ 3.93Å; L722-V781 HydrophobicContact CD1-CG1 3.78Å; L722-Y786 VanDerWaalsContact C-OH 3.24Å; L722-Y786 PolarHBondContact O-OH 2.98Å
723	S	96.8	Very high	96.3	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.014	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-65	-15.4	-168.3	67.6	0	0	0	0	115.8	T571 G719 C720 D721 I725 T726 Y786	T571-S723 WeakPolarHBondContact OG1-CB 3.49Å; T571-S723 PolarHBondContact OG1-OG 3.2Å; G719-S723 PolarHBondContact O-N 3.09Å; C720-S723 WeakPolarHBondContact O-CB 3.42Å; C720-S723 PolarHBondContact O-N 2.76Å; C720-S723 PolarHBondContact O-OG 2.95Å; D721-S723 VanDerWaalsContact C-N 3.26Å; D721-S723 PolarHBondContact O-N 3.32Å; S723-I725 PolarHBondContact O-N 3.37Å; S723-T726 PolarHBondContact O-N 2.93Å; S723-T726 VanDerWaalsContact O-N 3.1Å; S723-T726 PolarHBondContact O-OG1 2.86Å; S723-Y786 VanDerWaalsContact CA-OH 3.28Å; S723-Y786 WeakPolarHBondContact CA-OH 3.46Å; S723-Y786 PolarHBondContact N-OH 3.2Å
724	A	95.9	Very high	96.2	Very high	20 Å²	20	23.8 Å²	23.8	17%	0.165	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-57.3	-30.1	173.2	0	0	0	0	0	112.7	L722 T726 K727 V735	L722-A724 PolarHBondContact O-N 3.4Å; A724-T726 PolarHBondContact O-N 3.4Å; A724-K727 WeakPolarHBondContact O-CB 3.45Å; A724-K727 WeakPolarHBondContact O-CG 3.48Å; A724-K727 PolarHBondContact O-N 3.19Å; A724-V735 HydrophobicContact CB-CB 4.46Å; A724-V735 HydrophobicContact CB-CG1 3.73Å
725	I	96.3	Very high	96.2	Very high	11 Å²	11	24.4 Å²	24.4	6%	0.056	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-70.9	-17.1	-179.6	-156.6	54	0	0	0	113.4	L722 S723 Q732 I778 C782 Y786 L803 N806	L722-I725 WeakPolarHBondContact O-CG2 3.4Å; L722-I725 PolarHBondContact O-N 3.37Å; L722-I725 VanDerWaalsContact O-N 3.14Å; S723-I725 PolarHBondContact O-N 3.37Å; I725-Q732 HydrophobicContact CD1-CG 3.99Å; I725-Q732 VanDerWaalsContact CD1-NE2 3.28Å; I725-I778 HydrophobicContact CD1-CD1 3.92Å; I725-I778 HydrophobicContact CD1-CG1 3.89Å; I725-I778 HydrophobicContact CG1-CD1 4.15Å; I725-I778 HydrophobicContact CG1-CG1 3.73Å; I725-C782 HydrophobicContact CG2-CB 4.24Å; I725-Y786 HydrophobicContact CG2-CE2 3.86Å; I725-L803 HydrophobicContact CB-CD1 4.32Å; I725-L803 HydrophobicContact CG1-CD1 3.85Å; I725-L803 HydrophobicContact CG2-CD1 3.53Å; I725-N806 PolarHBondContact O-ND2 3.28Å
726	T	96.4	Very high	96	Very high	10 Å²	10	24.7 Å²	24.7	6%	0.061	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-98.1	-1.2	-178.6	73.3	0	0	0	0	112.7	S723 A724 Y786 M799 L803	S723-T726 PolarHBondContact O-N 2.93Å; S723-T726 VanDerWaalsContact O-N 3.1Å; S723-T726 PolarHBondContact O-OG1 2.86Å; A724-T726 PolarHBondContact O-N 3.4Å; T726-Y786 HydrophobicContact CG2-CD1 4.19Å; T726-Y786 HydrophobicContact CG2-CD2 3.92Å; T726-Y786 HydrophobicContact CG2-CE1 3.84Å; T726-Y786 HydrophobicContact CG2-CE2 3.5Å; T726-Y786 HydrophobicContact CG2-CG 4.24Å; T726-Y786 VanDerWaalsContact CG2-CZ 3.47Å; T726-M799 WeakPolarHBondContact CB-O 3.48Å; T726-M799 HydrophobicContact CG2-CB 4.21Å; T726-M799 HydrophobicContact CG2-CE 4.17Å; T726-M799 WeakPolarHBondContact CG2-O 3.17Å; T726-M799 WeakPolarHBondContact OG1-CE 3.39Å; T726-L803 HydrophobicContact CG2-CB 4.44Å
727	K	95.8	Very high	95.9	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.03	15%	0.153	C	C	.	.	S	Bend	trans	-73.8	161.9	-179.8	-59	-63.1	-179.3	168.4	0	111.3	F507 F509 A724 V731 N806	F507-K727 PolarHBondContact O-NZ 3.11Å; F509-K727 PolarHBondContact O-NZ 3.39Å; A724-K727 WeakPolarHBondContact O-CB 3.45Å; A724-K727 WeakPolarHBondContact O-CG 3.48Å; A724-K727 PolarHBondContact O-N 3.19Å; K727-V731 HydrophobicContact CB-CB 3.99Å; K727-V731 HydrophobicContact CB-CG1 3.92Å; K727-V731 HydrophobicContact CG-CG1 4.25Å; K727-N806 PolarHBondContact O-ND2 3.35Å
728	P	95.8	Very high	95.7	Very high	64 Å²	64	32.2 Å²	32.2	42%	0.416	17%	0.167	S	C	.	.			trans	-52.9	149.7	172.6	-25.7	35.2	0	0	0	112.3	E730 V731 Q732	P728-E730 PolarHBondContact O-N 3.41Å; P728-E730 VanDerWaalsContact O-N 3.12Å; P728-V731 WeakPolarHBondContact O-CA 3.46Å; P728-V731 WeakPolarHBondContact O-CB 3.39Å; P728-V731 PolarHBondContact O-N 3.34Å; P728-Q732 PolarHBondContact O-N 3.22Å
729	W	96	Very high	95.7	Very high	59 Å²	59	33.6 Å²	33.6	22%	0.223	18%	0.176	C	C	.	.	H	α-helix	trans	-51.4	-39.9	-174.3	177.9	-107.8	0	0	0	114.2	V731 Q732 S733 H809 W810 L813	W729-V731 PolarHBondContact O-N 2.97Å; W729-Q732 VanDerWaalsContact CZ3-OE1 3.31Å; W729-Q732 PolarHBondContact O-N 2.99Å; W729-S733 VanDerWaalsContact O-CB 3.29Å; W729-S733 WeakPolarHBondContact O-CB 3.45Å; W729-S733 PolarHBondContact O-N 2.84Å; W729-S733 PolarHBondContact O-OG 3.16Å; W729-H809 HydrophobicContact CD2-CB 3.9Å; W729-H809 AromaticContact CD2-CD2 3.98Å; W729-H809 HydrophobicContact CE3-CB 3.51Å; W729-H809 AromaticContact CE3-CD2 3.96Å; W729-H809 AromaticContact CE3-CG 3.99Å; W729-H809 HydrophobicContact CH2-CB 3.78Å; W729-H809 HydrophobicContact CZ2-CB 4.15Å; W729-H809 HydrophobicContact CZ3-CB 3.44Å; W729-H809 VanDerWaalsContact CZ3-CB 3.44Å; W729-W810 AromaticContact CH2-CD2 3.87Å; W729-W810 HydrophobicContact CH2-CD2 3.87Å; W729-W810 AromaticContact CH2-CE2 3.77Å; W729-W810 HydrophobicContact CH2-CE3 4.18Å; W729-W810 HydrophobicContact CH2-CG 4.29Å; W729-W810 HydrophobicContact CH2-CH2 4.37Å; W729-W810 HydrophobicContact CH2-CZ2 4.02Å; W729-W810 HydrophobicContact CH2-CZ3 4.44Å; W729-W810 AromaticContact CZ3-CD1 3.82Å; W729-W810 HydrophobicContact CZ3-CD2 4.04Å; W729-W810 AromaticContact CZ3-CE2 3.72Å; W729-W810 HydrophobicContact CZ3-CG 4.11Å; W729-W810 HydrophobicContact CZ3-CZ2 4.23Å; W729-W810 AromaticContact CZ3-NE1 3.53Å; W729-L813 HydrophobicContact CH2-CD1 3.8Å; W729-L813 HydrophobicContact CZ2-CD1 3.81Å
730	E	94.2	Very high	95.6	Very high	129 Å²	129	33.7 Å²	33.7	60%	0.603	18%	0.177	S	C	*	.	H	α-helix	trans	-61.4	-26.6	178.6	-60.1	-55	149.7	0	0	113.8	P728 K734	P728-E730 PolarHBondContact O-N 3.41Å; P728-E730 VanDerWaalsContact O-N 3.12Å; E730-K734 WeakPolarHBondContact O-CD 3.49Å; E730-K734 WeakPolarHBondContact O-CE 3.44Å
731	V	95	Very high	95.4	Very high	13 Å²	13	35 Å²	35	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-89.7	-50.7	175.3	-179.5	0	0	0	0	109.5	S510 F512 K727 P728 W729 S733 K734 V735	S510-V731 WeakPolarHBondContact OG-CG2 3.47Å; F512-V731 HydrophobicContact CD2-CG1 4.27Å; F512-V731 HydrophobicContact CD2-CG2 4.38Å; F512-V731 HydrophobicContact CE2-CB 4.3Å; F512-V731 HydrophobicContact CE2-CG1 3.8Å; K727-V731 HydrophobicContact CB-CB 3.99Å; K727-V731 HydrophobicContact CB-CG1 3.92Å; K727-V731 HydrophobicContact CG-CG1 4.25Å; P728-V731 WeakPolarHBondContact O-CA 3.46Å; P728-V731 WeakPolarHBondContact O-CB 3.39Å; P728-V731 PolarHBondContact O-N 3.34Å; W729-V731 PolarHBondContact O-N 2.97Å; V731-S733 VanDerWaalsContact C-N 3.34Å; V731-S733 PolarHBondContact O-N 3.26Å; V731-K734 PolarHBondContact O-N 2.93Å; V731-V735 HydrophobicContact CG1-CG2 4.32Å; V731-V735 WeakPolarHBondContact O-CG2 3.23Å; V731-V735 PolarHBondContact O-N 3.36Å
732	Q	95.6	Very high	95.3	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-42.2	-174.1	-172.8	-76	-32.8	0	0	112.2	I725 P728 W729 K734 V735 A736	I725-Q732 HydrophobicContact CD1-CG 3.99Å; I725-Q732 VanDerWaalsContact CD1-NE2 3.28Å; P728-Q732 PolarHBondContact O-N 3.22Å; W729-Q732 VanDerWaalsContact CZ3-OE1 3.31Å; W729-Q732 PolarHBondContact O-N 2.99Å; Q732-K734 VanDerWaalsContact C-N 3.34Å; Q732-K734 PolarHBondContact O-N 3.45Å; Q732-V735 PolarHBondContact O-N 3.13Å; Q732-A736 WeakPolarHBondContact O-CB 3.44Å; Q732-A736 PolarHBondContact O-N 3.44Å
733	S	93.4	Very high	95.3	Very high	25 Å²	25	36.3 Å²	36.3	18%	0.175	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-41.3	179.9	56.8	0	0	0	0	112.4	W729 V731 L737	W729-S733 VanDerWaalsContact O-CB 3.29Å; W729-S733 WeakPolarHBondContact O-CB 3.45Å; W729-S733 PolarHBondContact O-N 2.84Å; W729-S733 PolarHBondContact O-OG 3.16Å; V731-S733 VanDerWaalsContact C-N 3.34Å; V731-S733 PolarHBondContact O-N 3.26Å; S733-L737 WeakPolarHBondContact O-CG 3.45Å; S733-L737 PolarHBondContact O-N 3.47Å
734	K	95.1	Very high	95.3	Very high	107 Å²	107	38.4 Å²	38.4	47%	0.465	20%	0.199	S	C	.	.	H	α-helix	trans	-66.9	-44.5	175.4	-65	177.7	-173.4	171.5	0	111.5	F512 E730 V731 Q732 A736 L737 M738	F512-K734 HydrophobicContact CD2-CD 4.42Å; F512-K734 HydrophobicContact CE2-CB 4.13Å; F512-K734 HydrophobicContact CE2-CD 3.92Å; F512-K734 HydrophobicContact CZ-CB 3.94Å; F512-K734 HydrophobicContact CZ-CD 4.19Å; E730-K734 WeakPolarHBondContact O-CD 3.49Å; E730-K734 WeakPolarHBondContact O-CE 3.44Å; V731-K734 PolarHBondContact O-N 2.93Å; Q732-K734 VanDerWaalsContact C-N 3.34Å; Q732-K734 PolarHBondContact O-N 3.45Å; K734-A736 PolarHBondContact O-N 3.18Å; K734-L737 PolarHBondContact O-N 3.22Å; K734-M738 WeakPolarHBondContact O-CG 3.5Å; K734-M738 PolarHBondContact O-N 3.11Å; K734-M738 VanDerWaalsContact O-N 3.08Å
735	V	95.3	Very high	95.2	Very high	16 Å²	16	41.6 Å²	41.6	10%	0.097	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-42.6	178.9	176.7	0	0	0	0	111.6	F512 Y559 A724 V731 Q732 L737 M738 V739	F512-V735 HydrophobicContact CZ-CG2 4.25Å; Y559-V735 HydrophobicContact CD2-CG1 3.95Å; Y559-V735 HydrophobicContact CE2-CG1 3.43Å; Y559-V735 VanDerWaalsContact CE2-CG1 3.43Å; A724-V735 HydrophobicContact CB-CB 4.46Å; A724-V735 HydrophobicContact CB-CG1 3.73Å; V731-V735 HydrophobicContact CG1-CG2 4.32Å; V731-V735 WeakPolarHBondContact O-CG2 3.23Å; V731-V735 PolarHBondContact O-N 3.36Å; Q732-V735 PolarHBondContact O-N 3.13Å; V735-L737 VanDerWaalsContact C-N 3.26Å; V735-L737 PolarHBondContact O-N 3.2Å; V735-M738 HydrophobicContact CB-CE 4.2Å; V735-M738 HydrophobicContact CG2-CE 3.78Å; V735-M738 PolarHBondContact O-N 3.39Å; V735-M738 VanDerWaalsContact O-N 3.11Å; V735-V739 HydrophobicContact CG1-CG2 4.26Å; V735-V739 WeakPolarHBondContact O-CG2 3.41Å; V735-V739 PolarHBondContact O-N 2.86Å
736	A	94.1	Very high	95.2	Very high	6 Å²	6	41.4 Å²	41.4	5%	0.05	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-36.9	176.9	0	0	0	0	0	112.7	Q732 K734 A740 W810	Q732-A736 WeakPolarHBondContact O-CB 3.44Å; Q732-A736 PolarHBondContact O-N 3.44Å; K734-A736 PolarHBondContact O-N 3.18Å; A736-A740 VanDerWaalsContact O-CB 3.31Å; A736-A740 WeakPolarHBondContact O-CB 3.49Å; A736-A740 PolarHBondContact O-N 3.09Å; A736-W810 HydrophobicContact CB-CH2 4.02Å; A736-W810 HydrophobicContact CB-CZ2 3.54Å
737	L	93.9	Very high	95.2	Very high	99 Å²	99	40.9 Å²	40.9	52%	0.518	21%	0.206	S	C	.	.	H	α-helix	trans	-68.6	-39.4	174.5	-69.5	172.2	0	0	0	112.3	S733 K734 V735 A740 A741 L770	S733-L737 WeakPolarHBondContact O-CG 3.45Å; S733-L737 PolarHBondContact O-N 3.47Å; K734-L737 PolarHBondContact O-N 3.22Å; V735-L737 VanDerWaalsContact C-N 3.26Å; V735-L737 PolarHBondContact O-N 3.2Å; L737-A740 PolarHBondContact O-N 3.37Å; L737-A741 WeakPolarHBondContact O-CB 3.24Å; L737-A741 PolarHBondContact O-N 3.36Å; L737-L770 HydrophobicContact CD2-CD2 4.11Å
738	M	95.4	Very high	95.2	Very high	59 Å²	59	42.9 Å²	42.9	29%	0.291	22%	0.217	S	C	.	.	H	α-helix	trans	-63.2	-44.9	175.3	-67.7	-174.5	-68.4	0	0	111.6	F512 T558 K734 V735 A741 E742	F512-M738 HydrophobicContact CE1-CE 4.07Å; F512-M738 HydrophobicContact CZ-CE 3.83Å; T558-M738 HydrophobicContact CG2-CB 4.16Å; T558-M738 WeakPolarHBondContact CG2-O 3.35Å; K734-M738 WeakPolarHBondContact O-CG 3.5Å; K734-M738 PolarHBondContact O-N 3.11Å; K734-M738 VanDerWaalsContact O-N 3.08Å; V735-M738 HydrophobicContact CB-CE 4.2Å; V735-M738 HydrophobicContact CG2-CE 3.78Å; V735-M738 PolarHBondContact O-N 3.39Å; V735-M738 VanDerWaalsContact O-N 3.11Å; M738-A741 PolarHBondContact O-N 3.36Å; M738-E742 PolarHBondContact O-N 2.87Å
739	V	95.4	Very high	95.1	Very high	31 Å²	31	43.2 Å²	43.2	19%	0.188	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-45	175.7	174.2	0	0	0	0	111.1	Y559 V735 A741 E742 F743	Y559-V739 HydrophobicContact CD1-CG2 3.71Å; Y559-V739 HydrophobicContact CD2-CG2 3.43Å; Y559-V739 VanDerWaalsContact CD2-CG2 3.43Å; Y559-V739 HydrophobicContact CE1-CG2 3.84Å; Y559-V739 HydrophobicContact CE2-CG2 3.58Å; Y559-V739 HydrophobicContact CG-CG2 3.48Å; Y559-V739 VanDerWaalsContact CG-CG2 3.48Å; V735-V739 HydrophobicContact CG1-CG2 4.26Å; V735-V739 WeakPolarHBondContact O-CG2 3.41Å; V735-V739 PolarHBondContact O-N 2.86Å; V739-A741 VanDerWaalsContact C-N 3.35Å; V739-A741 PolarHBondContact O-N 3.19Å; V739-E742 PolarHBondContact O-N 3.17Å; V739-F743 HydrophobicContact CG1-CD2 3.74Å; V739-F743 HydrophobicContact CG1-CE2 3.53Å; V739-F743 VanDerWaalsContact O-CD2 3.3Å; V739-F743 WeakPolarHBondContact O-CD2 3.48Å; V739-F743 PolarHBondContact O-N 2.82Å
740	A	93.9	Very high	95	Very high	5 Å²	5	40.8 Å²	40.8	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-41.8	178.1	0	0	0	0	0	111.8	A736 L737 E742 F743 W744 L770	A736-A740 VanDerWaalsContact O-CB 3.31Å; A736-A740 WeakPolarHBondContact O-CB 3.49Å; A736-A740 PolarHBondContact O-N 3.09Å; L737-A740 PolarHBondContact O-N 3.37Å; A740-E742 PolarHBondContact O-N 2.78Å; A740-F743 PolarHBondContact O-N 2.99Å; A740-W744 HydrophobicContact CB-CH2 3.98Å; A740-W744 HydrophobicContact CB-CZ2 3.76Å; A740-W744 HydrophobicContact CB-CZ3 4.47Å; A740-W744 PolarHBondContact O-N 3.46Å; A740-L770 HydrophobicContact CB-CD1 3.97Å; A740-L770 HydrophobicContact CB-CD2 3.97Å
741	A	95	Very high	95	Very high	26 Å²	26	38.3 Å²	38.3	22%	0.215	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-44.2	176	0	0	0	0	0	112	T558 L737 M738 V739 F743 W744 E745	T558-A741 HydrophobicContact CG2-CB 4Å; L737-A741 WeakPolarHBondContact O-CB 3.24Å; L737-A741 PolarHBondContact O-N 3.36Å; M738-A741 PolarHBondContact O-N 3.36Å; V739-A741 VanDerWaalsContact C-N 3.35Å; V739-A741 PolarHBondContact O-N 3.19Å; A741-F743 PolarHBondContact O-N 2.84Å; A741-W744 HydrophobicContact CB-CE3 4.44Å; A741-W744 PolarHBondContact O-N 2.84Å; A741-E745 WeakPolarHBondContact O-CG 3.49Å; A741-E745 PolarHBondContact O-N 2.89Å
742	E	96.4	Very high	95	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-39.9	176.1	-165.6	170.3	152.4	0	0	112.2	Y559 H560 H604 G606 M738 V739 A740 W744 E745 Q746	Y559-E742 VanDerWaalsContact CA-OE2 3.28Å; Y559-E742 WeakPolarHBondContact CA-OE2 3.46Å; Y559-E742 WeakPolarHBondContact CB-OE2 3.27Å; Y559-E742 PolarHBondContact N-OE2 2.98Å; H560-E742 IonicContact CE1-OE1 3.88Å; H560-E742 IonicContact CG-OE1 3.35Å; H560-E742 PolarHBondContact N-OE2 3.1Å; H560-E742 VanDerWaalsContact N-OE2 3.09Å; H560-E742 VanDerWaalsContact ND1-CD 3.28Å; H560-E742 IonicContact ND1-OE1 2.76Å; H560-E742 PolarHBondContact ND1-OE1 3.34Å; H560-E742 IonicContact ND1-OE2 2.77Å; H560-E742 PolarHBondContact ND1-OE2 2.66Å; H604-E742 IonicContact CE1-OE1 2.7Å; H604-E742 IonicContact ND1-OE1 3.68Å; G606-E742 VanDerWaalsContact CA-OE1 3.25Å; G606-E742 WeakPolarHBondContact CA-OE1 3.24Å; M738-E742 PolarHBondContact O-N 2.87Å; V739-E742 PolarHBondContact O-N 3.17Å; A740-E742 PolarHBondContact O-N 2.78Å; E742-W744 VanDerWaalsContact C-N 3.32Å; E742-W744 PolarHBondContact O-N 2.81Å; E742-E745 PolarHBondContact O-N 3.29Å; E742-Q746 PolarHBondContact O-N 3.25Å
743	F	95.7	Very high	94.9	Very high	60 Å²	60	45.6 Å²	45.6	26%	0.263	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-36	173	-82.4	-56.4	0	0	0	113.1	V739 A740 A741 Q746 G747 M761 M762	V739-F743 HydrophobicContact CG1-CD2 3.74Å; V739-F743 HydrophobicContact CG1-CE2 3.53Å; V739-F743 VanDerWaalsContact O-CD2 3.3Å; V739-F743 WeakPolarHBondContact O-CD2 3.48Å; V739-F743 PolarHBondContact O-N 2.82Å; A740-F743 PolarHBondContact O-N 2.99Å; A741-F743 PolarHBondContact O-N 2.84Å; F743-Q746 PolarHBondContact O-N 3.01Å; F743-G747 PolarHBondContact O-N 3.47Å; F743-M761 HydrophobicContact CD1-CE 4.06Å; F743-M761 HydrophobicContact CD2-CE 4.33Å; F743-M761 HydrophobicContact CE1-CE 3.78Å; F743-M761 HydrophobicContact CE2-CE 4.06Å; F743-M761 HydrophobicContact CG-CE 4.34Å; F743-M761 HydrophobicContact CZ-CE 3.78Å; F743-M762 HydrophobicContact CB-CG 4.13Å; F743-M762 HydrophobicContact CD1-CE 3.69Å; F743-M762 HydrophobicContact CD1-CG 4.01Å; F743-M762 HydrophobicContact CE1-CE 3.88Å; F743-M762 HydrophobicContact CG-CG 4.43Å; F743-M762 WeakPolarHBondContact O-CB 3.36Å
744	W	95.8	Very high	94.9	Very high	45 Å²	45	46.2 Å²	46.2	17%	0.17	24%	0.241	C	C	.	.	H	α-helix	trans	-70.1	-39.6	175.6	-61	-25.9	0	0	0	112	A740 A741 E742 Q746 G747 D748 R764 A767	A740-W744 HydrophobicContact CB-CH2 3.98Å; A740-W744 HydrophobicContact CB-CZ2 3.76Å; A740-W744 HydrophobicContact CB-CZ3 4.47Å; A740-W744 PolarHBondContact O-N 3.46Å; A741-W744 HydrophobicContact CB-CE3 4.44Å; A741-W744 PolarHBondContact O-N 2.84Å; E742-W744 VanDerWaalsContact C-N 3.32Å; E742-W744 PolarHBondContact O-N 2.81Å; W744-Q746 VanDerWaalsContact C-N 3.32Å; W744-Q746 PolarHBondContact O-N 3.48Å; W744-G747 PolarHBondContact O-N 3.16Å; W744-G747 VanDerWaalsContact O-N 3.16Å; W744-D748 VanDerWaalsContact O-CG 3.25Å; W744-D748 PolarHBondContact O-N 2.92Å; W744-R764 HydrophobicContact CB-CB 4.13Å; W744-R764 HydrophobicContact CD2-CB 4.16Å; W744-R764 HydrophobicContact CG-CB 3.93Å; W744-A767 HydrophobicContact CH2-CB 3.71Å; W744-A767 HydrophobicContact CZ2-CB 3.52Å
745	E	95.8	Very high	94.8	Very high	88 Å²	88	48.3 Å²	48.3	41%	0.411	26%	0.257	S	S	.	.	H	α-helix	trans	-58.9	-44.1	172.5	-71.9	167.3	-160.8	0	0	111	T558 A741 E742 D748 L749	T558-E745 PolarHBondContact OG1-OE1 3.49Å; T558-E745 VanDerWaalsContact OG1-OE1 3.12Å; A741-E745 WeakPolarHBondContact O-CG 3.49Å; A741-E745 PolarHBondContact O-N 2.89Å; E742-E745 PolarHBondContact O-N 3.29Å; E745-D748 PolarHBondContact O-N 2.78Å; E745-L749 WeakPolarHBondContact O-CG 3.41Å; E745-L749 PolarHBondContact O-N 3.32Å; E745-L749 VanDerWaalsContact O-N 3.11Å
746	Q	95.8	Very high	94.7	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.028	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-43.8	172.2	-178.9	-179.1	-39.1	0	0	111.9	T607 N608 Y611 E742 F743 W744 D748 L749 E750	T607-Q746 VanDerWaalsContact CA-OE1 3.3Å; T607-Q746 HydrophobicContact CG2-CG 4.33Å; N608-Q746 VanDerWaalsContact CG-NE2 3.3Å; N608-Q746 PolarHBondContact ND2-NE2 3.38Å; N608-Q746 PolarHBondContact OD1-NE2 2.86Å; N608-Q746 VanDerWaalsContact OD1-NE2 3.11Å; Y611-Q746 HydrophobicContact CD2-CG 4.32Å; E742-Q746 PolarHBondContact O-N 3.25Å; F743-Q746 PolarHBondContact O-N 3.01Å; W744-Q746 VanDerWaalsContact C-N 3.32Å; W744-Q746 PolarHBondContact O-N 3.48Å; Q746-D748 VanDerWaalsContact C-N 3.28Å; Q746-D748 PolarHBondContact O-N 3.37Å; Q746-L749 WeakPolarHBondContact O-CA 3.42Å; Q746-L749 WeakPolarHBondContact O-CB 3.45Å; Q746-L749 PolarHBondContact O-N 2.94Å; Q746-L749 VanDerWaalsContact O-N 3.11Å; Q746-E750 PolarHBondContact NE2-OE1 3.37Å; Q746-E750 PolarHBondContact O-N 3.45Å
747	G	95.8	Very high	94.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-35.5	178.8	0	0	0	0	0	113.2	F743 W744 E750 R751 M762	F743-G747 PolarHBondContact O-N 3.47Å; W744-G747 PolarHBondContact O-N 3.16Å; W744-G747 VanDerWaalsContact O-N 3.16Å; G747-E750 PolarHBondContact O-N 2.85Å; G747-R751 WeakPolarHBondContact O-CB 3.23Å; G747-R751 PolarHBondContact O-N 3.12Å; G747-M762 WeakPolarHBondContact CA-O 3.4Å
748	D	95.2	Very high	94.5	Very high	49 Å²	49	54 Å²	54	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-65.6	-40	173.1	-68.7	-24	0	0	0	110.7	W744 E745 Q746 R751 S752 R764	W744-D748 VanDerWaalsContact O-CG 3.25Å; W744-D748 PolarHBondContact O-N 2.92Å; E745-D748 PolarHBondContact O-N 2.78Å; Q746-D748 VanDerWaalsContact C-N 3.28Å; Q746-D748 PolarHBondContact O-N 3.37Å; D748-R751 PolarHBondContact O-N 3.15Å; D748-S752 WeakPolarHBondContact O-CB 3.49Å; D748-S752 PolarHBondContact O-N 3.41Å; D748-S752 PolarHBondContact O-OG 3Å; D748-R764 IonicContact OD1-NE 3.62Å; D748-R764 IonicContact OD2-CZ 3.62Å; D748-R764 IonicContact OD2-NE 3.53Å; D748-R764 PolarHBondContact OD2-NE 3.45Å; D748-R764 IonicContact OD2-NH2 2.9Å; D748-R764 PolarHBondContact OD2-NH2 3Å
749	L	94.3	Very high	94.3	Very high	71 Å²	71	56 Å²	56	37%	0.372	29%	0.29	S	S	.	.	H	α-helix	trans	-64.9	-40.9	172.4	-69.9	172.6	0	0	0	113	T607 Y611 E745 Q746 R751 S752 V753	T607-L749 HydrophobicContact CG2-CD1 4.17Å; Y611-L749 HydrophobicContact CE2-CB 4.15Å; E745-L749 WeakPolarHBondContact O-CG 3.41Å; E745-L749 PolarHBondContact O-N 3.32Å; E745-L749 VanDerWaalsContact O-N 3.11Å; Q746-L749 WeakPolarHBondContact O-CA 3.42Å; Q746-L749 WeakPolarHBondContact O-CB 3.45Å; Q746-L749 PolarHBondContact O-N 2.94Å; Q746-L749 VanDerWaalsContact O-N 3.11Å; L749-R751 PolarHBondContact O-N 3.43Å; L749-S752 PolarHBondContact O-N 3.34Å; L749-V753 HydrophobicContact CD2-CG2 4.33Å; L749-V753 VanDerWaalsContact O-CB 3.27Å; L749-V753 WeakPolarHBondContact O-CB 3.5Å; L749-V753 WeakPolarHBondContact O-CG2 3.42Å; L749-V753 PolarHBondContact O-N 3.2Å
750	E	94.5	Very high	94.1	Very high	7 Å²	7	57.9 Å²	57.9	3%	0.033	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-38.5	174.7	-73.3	-168.7	-156.3	0	0	111.1	Y611 K614 Q746 G747 L754 D755 Q756	Y611-E750 HydrophobicContact CD2-CG 3.54Å; Y611-E750 HydrophobicContact CE2-CG 3.79Å; K614-E750 IonicContact NZ-OE2 3.59Å; K614-E750 PolarHBondContact NZ-OE2 3.37Å; Q746-E750 PolarHBondContact NE2-OE1 3.37Å; Q746-E750 PolarHBondContact O-N 3.45Å; G747-E750 PolarHBondContact O-N 2.85Å; E750-L754 HydrophobicContact CG-CD1 4.24Å; E750-L754 CarbonylContact O-C 3.57Å; E750-L754 WeakPolarHBondContact O-CB 3.03Å; E750-L754 PolarHBondContact O-N 3.03Å; E750-D755 PolarHBondContact O-N 3.49Å; E750-Q756 PolarHBondContact O-N 2.98Å
751	R	94.5	Very high	93.9	Very high	77 Å²	77	61.6 Å²	61.6	29%	0.291	32%	0.321	S	S	.	.	H	α-helix	trans	-69.6	-44.8	177.1	-162.9	-171.5	-50.4	-116.1	3.4	112.5	G747 D748 L749 D755 Q756 D763	G747-R751 WeakPolarHBondContact O-CB 3.23Å; G747-R751 PolarHBondContact O-N 3.12Å; D748-R751 PolarHBondContact O-N 3.15Å; L749-R751 PolarHBondContact O-N 3.43Å; R751-D755 WeakPolarHBondContact O-CA 3.42Å; R751-Q756 VanDerWaalsContact CA-O 3.31Å; R751-Q756 WeakPolarHBondContact CA-O 3.27Å; R751-D763 IonicContact NH2-OD1 3.14Å; R751-D763 PolarHBondContact NH2-OD1 2.87Å
752	S	94.4	Very high	93.7	Very high	84 Å²	84	60.9 Å²	60.9	59%	0.587	31%	0.313	S	S	*	.	H	α-helix	trans	-86.2	-30.6	-171.9	70.6	0	0	0	0	114.5	D748 L749	D748-S752 WeakPolarHBondContact O-CB 3.49Å; D748-S752 PolarHBondContact O-N 3.41Å; D748-S752 PolarHBondContact O-OG 3Å; L749-S752 PolarHBondContact O-N 3.34Å
753	V	93.8	Very high	93.5	Very high	87 Å²	87	61.5 Å²	61.5	53%	0.527	32%	0.317	S	S	.	.	H	α-helix	trans	-101.1	-35.1	-174.8	-175.5	0	0	0	0	111.8	L749	L749-V753 HydrophobicContact CD2-CG2 4.33Å; L749-V753 VanDerWaalsContact O-CB 3.27Å; L749-V753 WeakPolarHBondContact O-CB 3.5Å; L749-V753 WeakPolarHBondContact O-CG2 3.42Å; L749-V753 PolarHBondContact O-N 3.2Å
754	L	92.6	Very high	93.3	Very high	38 Å²	38	65 Å²	65	20%	0.199	33%	0.328	C	S	.	.	S	Bend	trans	-104.9	-3.6	-176.4	-51.1	178.5	0	0	0	113.3	Y611 K614 E750 Q756	Y611-L754 HydrophobicContact CD2-CD1 4.12Å; Y611-L754 HydrophobicContact CE2-CD1 3.88Å; Y611-L754 HydrophobicContact CE2-CG 4.35Å; K614-L754 HydrophobicContact CB-CD1 3.78Å; K614-L754 HydrophobicContact CD-CD1 4.02Å; E750-L754 HydrophobicContact CG-CD1 4.24Å; E750-L754 CarbonylContact O-C 3.57Å; E750-L754 WeakPolarHBondContact O-CB 3.03Å; E750-L754 PolarHBondContact O-N 3.03Å; L754-Q756 HydrophobicContact CB-CB 4.44Å; L754-Q756 HydrophobicContact CB-CG 4.25Å; L754-Q756 PolarHBondContact O-N 3.43Å
755	D	93.3	Very high	93	Very high	150 Å²	150	68.8 Å²	68.8	80%	0.802	35%	0.352	S	S	*	.			trans	50.6	35.6	-173.3	-67.2	-43.1	0	0	0	113	E750 R751	E750-D755 PolarHBondContact O-N 3.49Å; R751-D755 WeakPolarHBondContact O-CA 3.42Å
756	Q	92.2	Very high	92.7	Very high	82 Å²	82	65.7 Å²	65.7	38%	0.383	34%	0.34	S	S	.	.			trans	-109.2	143.4	-179.8	-74.1	177.1	17.6	0	0	111.2	E750 R751 L754 P758	E750-Q756 PolarHBondContact O-N 2.98Å; R751-Q756 VanDerWaalsContact CA-O 3.31Å; R751-Q756 WeakPolarHBondContact CA-O 3.27Å; L754-Q756 HydrophobicContact CB-CB 4.44Å; L754-Q756 HydrophobicContact CB-CG 4.25Å; L754-Q756 PolarHBondContact O-N 3.43Å; Q756-P758 WeakPolarHBondContact O-CD 3.38Å
757	Q	91.6	Very high	92.3	Very high	148 Å²	148	67.1 Å²	67.1	69%	0.692	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-76.4	121.1	169.2	-69.6	-64.6	-5.7	0	0	109.5
758	P	92.8	Very high	91.9	Very high	12 Å²	12	72.1 Å²	72.1	8%	0.078	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-67.4	156.5	177.7	28.5	-34.2	0	0	0	110.8	Q756 M762 D763	Q756-P758 WeakPolarHBondContact O-CD 3.38Å; P758-M762 HydrophobicContact CB-CB 4.02Å; P758-D763 HydrophobicContact CG-CB 4.33Å
759	I	92.4	Very high	91.6	Very high	99 Å²	99	73.1 Å²	73.1	51%	0.508	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-65.7	156.5	171.8	60.1	170.8	0	0	0	110.5	M761 M762 D763	I759-M761 HydrophobicContact CD1-CB 4.19Å; I759-M761 HydrophobicContact CG1-CB 4.34Å; I759-M761 PolarHBondContact O-N 3.34Å; I759-M762 HydrophobicContact CD1-SD 4.39Å; I759-M762 HydrophobicContact CG1-CB 4.37Å; I759-M762 HydrophobicContact CG1-CG 4.22Å; I759-M762 HydrophobicContact CG1-SD 4.06Å; I759-M762 PolarHBondContact O-N 3.43Å; I759-D763 PolarHBondContact O-N 3.48Å
760	P	89.9	Confident	91.5	Very high	71 Å²	71	70.8 Å²	70.8	46%	0.461	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-52.8	-31.3	-176.8	-30.6	36.6	0	0	0	115.2	M762 D763 C766 M773	P760-M762 PolarHBondContact O-N 3.31Å; P760-D763 PolarHBondContact O-N 3.27Å; P760-C766 HydrophobicContact CB-CB 4.36Å; P760-C766 WeakPolarHBondContact O-CB 3.26Å; P760-M773 HydrophobicContact CB-CE 3.74Å
761	M	89.6	Confident	91.5	Very high	84 Å²	84	71.3 Å²	71.3	41%	0.414	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-63.6	-28.8	177.1	-168.2	177.7	88.9	0	0	113.4	F743 I759 M773	F743-M761 HydrophobicContact CD1-CE 4.06Å; F743-M761 HydrophobicContact CD2-CE 4.33Å; F743-M761 HydrophobicContact CE1-CE 3.78Å; F743-M761 HydrophobicContact CE2-CE 4.06Å; F743-M761 HydrophobicContact CG-CE 4.34Å; F743-M761 HydrophobicContact CZ-CE 3.78Å; I759-M761 HydrophobicContact CD1-CB 4.19Å; I759-M761 HydrophobicContact CG1-CB 4.34Å; I759-M761 PolarHBondContact O-N 3.34Å; M761-M773 HydrophobicContact CB-SD 4.2Å; M761-M773 HydrophobicContact CG-SD 4.34Å
762	M	92.1	Very high	91.4	Very high	10 Å²	10	74 Å²	74	5%	0.049	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-105.1	2.4	-179.2	-66.7	169.1	178.6	0	0	111.9	N608 F743 G747 P758 I759 P760	N608-M762 VanDerWaalsContact ND2-CE 3.32Å; N608-M762 WeakPolarHBondContact ND2-CE 3.41Å; F743-M762 HydrophobicContact CB-CG 4.13Å; F743-M762 HydrophobicContact CD1-CE 3.69Å; F743-M762 HydrophobicContact CD1-CG 4.01Å; F743-M762 HydrophobicContact CE1-CE 3.88Å; F743-M762 HydrophobicContact CG-CG 4.43Å; F743-M762 WeakPolarHBondContact O-CB 3.36Å; G747-M762 WeakPolarHBondContact CA-O 3.4Å; P758-M762 HydrophobicContact CB-CB 4.02Å; I759-M762 HydrophobicContact CD1-SD 4.39Å; I759-M762 HydrophobicContact CG1-CB 4.37Å; I759-M762 HydrophobicContact CG1-CG 4.22Å; I759-M762 HydrophobicContact CG1-SD 4.06Å; I759-M762 PolarHBondContact O-N 3.43Å; P760-M762 PolarHBondContact O-N 3.31Å
763	D	91.6	Very high	91.2	Very high	24 Å²	24	72.5 Å²	72.5	13%	0.128	37%	0.369	C	S	.	.			trans	-96.3	115.2	177.7	-171.3	7.3	0	0	0	110.7	R751 P758 I759 P760 N765 C766	R751-D763 IonicContact NH2-OD1 3.14Å; R751-D763 PolarHBondContact NH2-OD1 2.87Å; P758-D763 HydrophobicContact CG-CB 4.33Å; I759-D763 PolarHBondContact O-N 3.48Å; P760-D763 PolarHBondContact O-N 3.27Å; D763-N765 PolarHBondContact O-N 2.99Å; D763-N765 VanDerWaalsContact O-N 3.1Å; D763-N765 PolarHBondContact OD1-N 3.22Å; D763-N765 PolarHBondContact OD1-ND2 3Å; D763-C766 HydrophobicContact CB-CB 4.48Å; D763-C766 WeakPolarHBondContact O-CB 3.22Å; D763-C766 PolarHBondContact O-N 3.37Å
764	R	92.1	Very high	91.2	Very high	133 Å²	133	69.5 Å²	69.5	50%	0.502	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-57.7	-24.1	176.5	52.3	170.6	51.3	-155.6	-13.8	113.8	W744 D748 C766 A767	W744-R764 HydrophobicContact CB-CB 4.13Å; W744-R764 HydrophobicContact CD2-CB 4.16Å; W744-R764 HydrophobicContact CG-CB 3.93Å; D748-R764 IonicContact OD1-NE 3.62Å; D748-R764 IonicContact OD2-CZ 3.62Å; D748-R764 IonicContact OD2-NE 3.53Å; D748-R764 PolarHBondContact OD2-NE 3.45Å; D748-R764 IonicContact OD2-NH2 2.9Å; D748-R764 PolarHBondContact OD2-NH2 3Å; R764-C766 PolarHBondContact O-N 3.22Å; R764-A767 WeakPolarHBondContact O-CB 3.43Å; R764-A767 PolarHBondContact O-N 3.07Å
765	N	89.4	Confident	91.3	Very high	124 Å²	124	68.2 Å²	68.2	66%	0.663	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-71.6	-16.6	175.7	-57	-56.1	0	0	0	112.9	D763	D763-N765 PolarHBondContact O-N 2.99Å; D763-N765 VanDerWaalsContact O-N 3.1Å; D763-N765 PolarHBondContact OD1-N 3.22Å; D763-N765 PolarHBondContact OD1-ND2 3Å
766	C	88.1	Confident	91.3	Very high	24 Å²	24	62.9 Å²	62.9	16%	0.162	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-95.9	14	176.3	-63.9	0	0	0	0	112.8	P760 D763 R764 E768 Q769	P760-C766 HydrophobicContact CB-CB 4.36Å; P760-C766 WeakPolarHBondContact O-CB 3.26Å; D763-C766 HydrophobicContact CB-CB 4.48Å; D763-C766 WeakPolarHBondContact O-CB 3.22Å; D763-C766 PolarHBondContact O-N 3.37Å; R764-C766 PolarHBondContact O-N 3.22Å; C766-E768 VanDerWaalsContact C-N 3.29Å; C766-E768 PolarHBondContact O-N 3.05Å; C766-Q769 VanDerWaalsContact O-CB 3.31Å; C766-Q769 WeakPolarHBondContact O-CB 3.2Å; C766-Q769 PolarHBondContact O-N 3.07Å
767	A	88	Confident	91.4	Very high	36 Å²	36	62.4 Å²	62.4	30%	0.298	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-56.5	-35.5	-174.6	0	0	0	0	0	114.3	W744 R764 Q769 L770	W744-A767 HydrophobicContact CH2-CB 3.71Å; W744-A767 HydrophobicContact CZ2-CB 3.52Å; R764-A767 WeakPolarHBondContact O-CB 3.43Å; R764-A767 PolarHBondContact O-N 3.07Å; A767-Q769 PolarHBondContact O-N 2.75Å; A767-Q769 VanDerWaalsContact O-N 3.14Å; A767-L770 WeakPolarHBondContact O-CB 3.45Å; A767-L770 PolarHBondContact O-N 2.91Å
768	E	88	Confident	91.5	Very high	104 Å²	104	55.4 Å²	55.4	49%	0.486	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-64.9	-16.7	177.4	-60.3	-160.5	162.3	0	0	112.9	C766 P771 Y817 K820	C766-E768 VanDerWaalsContact C-N 3.29Å; C766-E768 PolarHBondContact O-N 3.05Å; E768-P771 WeakPolarHBondContact O-CD 3.46Å; E768-Y817 HydrophobicContact CB-CD2 3.76Å; E768-Y817 HydrophobicContact CB-CE2 3.35Å; E768-Y817 HydrophobicContact CG-CE2 4.39Å; E768-Y817 WeakPolarHBondContact OE2-CE2 3.33Å; E768-K820 VanDerWaalsContact CD-NZ 3.29Å; E768-K820 IonicContact OE1-NZ 3.36Å; E768-K820 PolarHBondContact OE1-NZ 3.35Å; E768-K820 IonicContact OE2-NZ 3.92Å; E768-K820 PolarHBondContact OE2-NZ 3.28Å
769	Q	89.6	Confident	91.6	Very high	70 Å²	70	58.2 Å²	58.2	33%	0.327	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-86	-5	176.5	-55.8	179.7	27.2	0	0	113.4	C766 A767 P771 K772 M773 Y817	C766-Q769 VanDerWaalsContact O-CB 3.31Å; C766-Q769 WeakPolarHBondContact O-CB 3.2Å; C766-Q769 PolarHBondContact O-N 3.07Å; A767-Q769 PolarHBondContact O-N 2.75Å; A767-Q769 VanDerWaalsContact O-N 3.14Å; Q769-P771 VanDerWaalsContact C-CD 3.43Å; Q769-P771 VanDerWaalsContact C-N 3.34Å; Q769-K772 PolarHBondContact O-N 3.49Å; Q769-K772 VanDerWaalsContact O-N 3.14Å; Q769-M773 HydrophobicContact CB-CE 3.95Å; Q769-M773 PolarHBondContact O-N 3.27Å; Q769-Y817 HydrophobicContact CG-CE1 4.1Å
770	L	91.4	Very high	91.6	Very high	22 Å²	22	59.9 Å²	59.9	12%	0.115	31%	0.306	C	S	.	.	H	α-helix	trans	-50.8	-43.7	-178.7	179.1	65.1	0	0	0	113.4	L737 A740 A767 K772 M773 Q774	L737-L770 HydrophobicContact CD2-CD2 4.11Å; A740-L770 HydrophobicContact CB-CD1 3.97Å; A740-L770 HydrophobicContact CB-CD2 3.97Å; A767-L770 WeakPolarHBondContact O-CB 3.45Å; A767-L770 PolarHBondContact O-N 2.91Å; L770-K772 VanDerWaalsContact C-N 3.32Å; L770-K772 PolarHBondContact O-N 3.26Å; L770-M773 PolarHBondContact O-N 3.37Å; L770-M773 VanDerWaalsContact O-N 3.15Å; L770-Q774 HydrophobicContact CD1-CG 3.98Å; L770-Q774 HydrophobicContact CG-CG 4.22Å; L770-Q774 WeakPolarHBondContact O-CG 3.41Å; L770-Q774 PolarHBondContact O-N 2.85Å
771	P	93.6	Very high	91.6	Very high	19 Å²	19	57 Å²	57	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-56.7	-44.1	179.1	-27.4	36.4	0	0	0	113.6	E768 Q769 Q774 C775 W810 L813 A814	E768-P771 WeakPolarHBondContact O-CD 3.46Å; Q769-P771 VanDerWaalsContact C-CD 3.43Å; Q769-P771 VanDerWaalsContact C-N 3.34Å; P771-Q774 PolarHBondContact O-N 3.05Å; P771-C775 PolarHBondContact O-N 3.41Å; P771-C775 PolarHBondContact O-SG 3.3Å; P771-C775 VanDerWaalsContact O-SG 3.38Å; P771-W810 HydrophobicContact CB-CE3 3.82Å; P771-W810 HydrophobicContact CB-CZ3 4.25Å; P771-W810 HydrophobicContact CG-CE3 4.19Å; P771-W810 HydrophobicContact CG-CZ3 4.12Å; P771-L813 HydrophobicContact CB-CB 3.9Å; P771-L813 HydrophobicContact CG-CB 3.99Å; P771-A814 HydrophobicContact CB-CB 3.97Å
772	K	92.2	Very high	91.9	Very high	133 Å²	133	53 Å²	53	58%	0.578	27%	0.268	S	S	*	.	H	α-helix	trans	-65.9	-40.5	178.5	-177	179.2	178.8	178.8	0	111.6	Q769 L770 C775 G776 A814	Q769-K772 PolarHBondContact O-N 3.49Å; Q769-K772 VanDerWaalsContact O-N 3.14Å; L770-K772 VanDerWaalsContact C-N 3.32Å; L770-K772 PolarHBondContact O-N 3.26Å; K772-C775 PolarHBondContact O-N 2.96Å; K772-G776 PolarHBondContact O-N 3.45Å; K772-G776 VanDerWaalsContact O-N 3.16Å; K772-A814 HydrophobicContact CB-CB 4.48Å
773	M	91.9	Very high	92	Very high	53 Å²	53	53.7 Å²	53.7	26%	0.261	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-40.9	177.5	-64.5	179.6	-177	0	0	111.4	P760 M761 Q769 L770 G776 F777	P760-M773 HydrophobicContact CB-CE 3.74Å; M761-M773 HydrophobicContact CB-SD 4.2Å; M761-M773 HydrophobicContact CG-SD 4.34Å; Q769-M773 HydrophobicContact CB-CE 3.95Å; Q769-M773 PolarHBondContact O-N 3.27Å; L770-M773 PolarHBondContact O-N 3.37Å; L770-M773 VanDerWaalsContact O-N 3.15Å; M773-G776 PolarHBondContact O-N 2.78Å; M773-F777 PolarHBondContact O-N 2.77Å
774	Q	93.3	Very high	92.3	Very high	24 Å²	24	54.4 Å²	54.4	11%	0.112	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-43	175.7	-73	-65.4	-19.9	0	0	112.2	L770 P771 G776 F777 I778 W810	L770-Q774 HydrophobicContact CD1-CG 3.98Å; L770-Q774 HydrophobicContact CG-CG 4.22Å; L770-Q774 WeakPolarHBondContact O-CG 3.41Å; L770-Q774 PolarHBondContact O-N 2.85Å; P771-Q774 PolarHBondContact O-N 3.05Å; Q774-G776 VanDerWaalsContact C-N 3.31Å; Q774-G776 PolarHBondContact O-N 3.49Å; Q774-F777 PolarHBondContact O-N 2.83Å; Q774-I778 WeakPolarHBondContact O-CB 3.37Å; Q774-I778 WeakPolarHBondContact O-CG1 3.3Å; Q774-I778 PolarHBondContact O-N 3.01Å; Q774-W810 HydrophobicContact CB-CD2 3.87Å; Q774-W810 HydrophobicContact CB-CE3 4.31Å; Q774-W810 HydrophobicContact CB-CG 4.02Å; Q774-W810 HydrophobicContact CG-CD2 4.27Å; Q774-W810 HydrophobicContact CG-CH2 4.42Å; Q774-W810 HydrophobicContact CG-CZ2 4.22Å
775	C	94.6	Very high	92.4	Very high	11 Å²	11	48.1 Å²	48.1	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-45.2	172.5	-67.4	0	0	0	0	111.8	P771 K772 F777 I778 D779	P771-C775 PolarHBondContact O-N 3.41Å; P771-C775 PolarHBondContact O-SG 3.3Å; P771-C775 VanDerWaalsContact O-SG 3.38Å; K772-C775 PolarHBondContact O-N 2.96Å; C775-F777 PolarHBondContact O-N 2.96Å; C775-I778 PolarHBondContact O-N 2.91Å; C775-D779 WeakPolarHBondContact O-CB 3.47Å; C775-D779 VanDerWaalsContact O-CG 3.3Å; C775-D779 PolarHBondContact O-N 3.44Å
776	G	93.5	Very high	92.8	Very high	38 Å²	38	42.4 Å²	42.4	39%	0.392	22%	0.221	S	C	.	.	H	α-helix	trans	-61.9	-41.7	177.2	0	0	0	0	0	113.1	K772 M773 Q774 D779 F780	K772-G776 PolarHBondContact O-N 3.45Å; K772-G776 VanDerWaalsContact O-N 3.16Å; M773-G776 PolarHBondContact O-N 2.78Å; Q774-G776 VanDerWaalsContact C-N 3.31Å; Q774-G776 PolarHBondContact O-N 3.49Å; G776-D779 PolarHBondContact O-N 3.07Å; G776-F780 VanDerWaalsContact O-CB 3.25Å; G776-F780 WeakPolarHBondContact O-CB 3.45Å; G776-F780 PolarHBondContact O-N 3.22Å
777	F	93.3	Very high	93.2	Very high	72 Å²	72	46.4 Å²	46.4	32%	0.316	24%	0.236	S	C	.	.	H	α-helix	trans	-64.7	-45.2	176.4	176.8	-109.3	0	0	0	112.3	L722 M773 Q774 C775 D779 V781 C782	L722-F777 HydrophobicContact CD1-CZ 4.45Å; L722-F777 HydrophobicContact CD2-CZ 3.93Å; M773-F777 PolarHBondContact O-N 2.77Å; Q774-F777 PolarHBondContact O-N 2.83Å; C775-F777 PolarHBondContact O-N 2.96Å; F777-D779 PolarHBondContact O-N 3.33Å; F777-V781 HydrophobicContact CD2-CB 3.96Å; F777-V781 HydrophobicContact CD2-CG2 3.68Å; F777-V781 HydrophobicContact CE2-CB 3.75Å; F777-V781 HydrophobicContact CE2-CG1 3.9Å; F777-V781 HydrophobicContact CE2-CG2 3.75Å; F777-V781 HydrophobicContact CZ-CB 4.36Å; F777-V781 HydrophobicContact CZ-CG1 4.33Å; F777-V781 WeakPolarHBondContact O-CB 3.49Å; F777-V781 PolarHBondContact O-N 3.13Å; F777-C782 WeakPolarHBondContact CE1-SG 3.43Å; F777-C782 PolarHBondContact O-N 3.43Å
778	I	95.3	Very high	93.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-58.8	-48.4	175.6	-71.9	167.4	0	0	0	110.6	I725 Q774 C775 C782 S783 L803 R807	I725-I778 HydrophobicContact CD1-CD1 3.92Å; I725-I778 HydrophobicContact CD1-CG1 3.89Å; I725-I778 HydrophobicContact CG1-CD1 4.15Å; I725-I778 HydrophobicContact CG1-CG1 3.73Å; Q774-I778 WeakPolarHBondContact O-CB 3.37Å; Q774-I778 WeakPolarHBondContact O-CG1 3.3Å; Q774-I778 PolarHBondContact O-N 3.01Å; C775-I778 PolarHBondContact O-N 2.91Å; I778-C782 PolarHBondContact O-N 3.25Å; I778-S783 WeakPolarHBondContact O-CB 3.34Å; I778-S783 PolarHBondContact O-N 2.97Å; I778-S783 PolarHBondContact O-OG 3.46Å; I778-L803 HydrophobicContact CG1-CD1 4.33Å; I778-L803 HydrophobicContact CG2-CD1 3.87Å; I778-L803 HydrophobicContact CG2-CD2 4.35Å; I778-L803 HydrophobicContact CG2-CG 3.97Å; I778-R807 HydrophobicContact CD1-CB 4.38Å; I778-R807 HydrophobicContact CG2-CB 4.02Å; I778-R807 HydrophobicContact CG2-CG 4.01Å
779	D	94.6	Very high	94	Very high	72 Å²	72	40.2 Å²	40.2	39%	0.385	20%	0.2	S	C	.	.	I	π-helix	trans	-68.7	-41.3	-176	-72.7	-13.1	0	0	0	111.8	C775 G776 F777 R807	C775-D779 WeakPolarHBondContact O-CB 3.47Å; C775-D779 VanDerWaalsContact O-CG 3.3Å; C775-D779 PolarHBondContact O-N 3.44Å; G776-D779 PolarHBondContact O-N 3.07Å; F777-D779 PolarHBondContact O-N 3.33Å; D779-R807 WeakPolarHBondContact OD1-CD 3.36Å; D779-R807 IonicContact OD1-CZ 2.86Å; D779-R807 IonicContact OD1-NE 3.73Å; D779-R807 PolarHBondContact OD1-NE 3.32Å; D779-R807 IonicContact OD1-NH2 2.74Å; D779-R807 IonicContact OD2-CZ 3.66Å; D779-R807 IonicContact OD2-NE 2.69Å; D779-R807 IonicContact OD2-NH2 3.77Å; D779-R807 PolarHBondContact OD2-NH2 2.87Å
780	F	91.9	Very high	94.3	Very high	134 Å²	134	37.7 Å²	37.7	59%	0.588	19%	0.191	S	C	*	.	I	π-helix	trans	-87.4	-36.6	-172.5	-170.3	-106	0	0	0	114.6	F676 G776	F676-F780 HydrophobicContact CE1-CD1 4.34Å; F676-F780 AromaticContact CE1-CE1 3.81Å; F676-F780 HydrophobicContact CE1-CE1 3.81Å; F676-F780 HydrophobicContact CE1-CZ 4.37Å; F676-F780 HydrophobicContact CZ-CD1 4.16Å; F676-F780 AromaticContact CZ-CE1 3.71Å; F676-F780 HydrophobicContact CZ-CE1 3.71Å; G776-F780 VanDerWaalsContact O-CB 3.25Å; G776-F780 WeakPolarHBondContact O-CB 3.45Å; G776-F780 PolarHBondContact O-N 3.22Å
781	V	90.6	Very high	94.4	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.067	20%	0.199	C	C	.	.	I	π-helix	trans	-104.9	-55.7	-172.6	-173.4	0	0	0	0	111	L672 Y675 F676 L722 F777	L672-V781 HydrophobicContact CD2-CG1 4.24Å; Y675-V781 HydrophobicContact CE1-CG1 4.28Å; Y675-V781 PolarHBondContact OH-O 3.21Å; F676-V781 HydrophobicContact CZ-CG2 4.3Å; L722-V781 HydrophobicContact CD1-CG1 3.78Å; F777-V781 HydrophobicContact CD2-CB 3.96Å; F777-V781 HydrophobicContact CD2-CG2 3.68Å; F777-V781 HydrophobicContact CE2-CB 3.75Å; F777-V781 HydrophobicContact CE2-CG1 3.9Å; F777-V781 HydrophobicContact CE2-CG2 3.75Å; F777-V781 HydrophobicContact CZ-CB 4.36Å; F777-V781 HydrophobicContact CZ-CG1 4.33Å; F777-V781 WeakPolarHBondContact O-CB 3.49Å; F777-V781 PolarHBondContact O-N 3.13Å
782	C	95.2	Very high	94.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.	I	π-helix	trans	-80.3	-40.3	-167.4	-57.8	0	0	0	0	113.5	I725 F777 I778 F784 V785 Y786 L803	I725-C782 HydrophobicContact CG2-CB 4.24Å; F777-C782 WeakPolarHBondContact CE1-SG 3.43Å; F777-C782 PolarHBondContact O-N 3.43Å; I778-C782 PolarHBondContact O-N 3.25Å; C782-F784 VanDerWaalsContact C-N 3.26Å; C782-F784 PolarHBondContact O-N 2.89Å; C782-V785 VanDerWaalsContact O-CG1 3.23Å; C782-V785 WeakPolarHBondContact O-CG1 3.4Å; C782-V785 PolarHBondContact O-N 3.49Å; C782-Y786 HydrophobicContact CB-CD2 4.27Å; C782-Y786 HydrophobicContact CB-CE2 4.21Å; C782-Y786 VanDerWaalsContact O-CD2 3.27Å; C782-Y786 WeakPolarHBondContact O-CD2 3.47Å; C782-Y786 PolarHBondContact O-N 3.37Å; C782-L803 HydrophobicContact CB-CD1 3.75Å; C782-L803 HydrophobicContact CB-CD2 4.36Å
783	S	94.9	Very high	94.5	Very high	23 Å²	23	34.7 Å²	34.7	16%	0.161	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-37.1	-172.6	-67.4	0	0	0	0	112.8	I778 K787	I778-S783 WeakPolarHBondContact O-CB 3.34Å; I778-S783 PolarHBondContact O-N 2.97Å; I778-S783 PolarHBondContact O-OG 3.46Å; S783-K787 WeakPolarHBondContact O-CB 3.42Å; S783-K787 PolarHBondContact O-N 3.42Å; S783-K787 VanDerWaalsContact O-N 3.09Å
784	F	96.1	Very high	94.6	Very high	40 Å²	40	40.6 Å²	40.6	18%	0.175	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-54.2	178.6	178.2	-85.8	0	0	0	111.6	R679 Q683 M715 C782 Y786 K787 E788	R679-F784 HydrophobicContact CB-CD1 4.08Å; R679-F784 HydrophobicContact CB-CE1 3.5Å; R679-F784 HydrophobicContact CB-CZ 3.94Å; R679-F784 HydrophobicContact CG-CE1 4.15Å; R679-F784 HydrophobicContact CG-CZ 4.18Å; R679-F784 WeakPolarHBondContact O-CZ 3.44Å; Q683-F784 HydrophobicContact CB-CZ 4.07Å; M715-F784 HydrophobicContact CE-CE1 4.25Å; C782-F784 VanDerWaalsContact C-N 3.26Å; C782-F784 PolarHBondContact O-N 2.89Å; F784-Y786 PolarHBondContact O-N 3.14Å; F784-K787 PolarHBondContact O-N 3.43Å; F784-E788 HydrophobicContact CD1-CG 4.36Å; F784-E788 HydrophobicContact CD2-CG 4.39Å; F784-E788 HydrophobicContact CE1-CG 3.98Å; F784-E788 HydrophobicContact CE2-CG 4.07Å; F784-E788 HydrophobicContact CZ-CG 3.86Å; F784-E788 WeakPolarHBondContact O-CG 3.39Å; F784-E788 PolarHBondContact O-N 3.05Å
785	V	95.5	Very high	94.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.4	-46	-171.9	61.3	0	0	0	0	111.3	Y675 M715 C782 E788 F789	Y675-V785 HydrophobicContact CE2-CB 4.22Å; M715-V785 HydrophobicContact CE-CB 4.43Å; M715-V785 HydrophobicContact CE-CG2 4.04Å; C782-V785 VanDerWaalsContact O-CG1 3.23Å; C782-V785 WeakPolarHBondContact O-CG1 3.4Å; C782-V785 PolarHBondContact O-N 3.49Å; V785-E788 PolarHBondContact O-N 3.21Å; V785-F789 HydrophobicContact CG2-CD2 3.59Å; V785-F789 HydrophobicContact CG2-CE2 3.51Å; V785-F789 WeakPolarHBondContact O-CB 3.33Å; V785-F789 WeakPolarHBondContact O-CD2 3.47Å; V785-F789 PolarHBondContact O-N 3.42Å
786	Y	97.3	Very high	94.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-72.4	-33.3	-179.1	-64.2	-60.7	0	0	0	113.3	G719 L722 S723 I725 T726 C782 F784 S790 M799 L803	G719-Y786 PolarHBondContact O-OH 2.86Å; L722-Y786 VanDerWaalsContact C-OH 3.24Å; L722-Y786 PolarHBondContact O-OH 2.98Å; S723-Y786 VanDerWaalsContact CA-OH 3.28Å; S723-Y786 WeakPolarHBondContact CA-OH 3.46Å; S723-Y786 PolarHBondContact N-OH 3.2Å; I725-Y786 HydrophobicContact CG2-CE2 3.86Å; T726-Y786 HydrophobicContact CG2-CD1 4.19Å; T726-Y786 HydrophobicContact CG2-CD2 3.92Å; T726-Y786 HydrophobicContact CG2-CE1 3.84Å; T726-Y786 HydrophobicContact CG2-CE2 3.5Å; T726-Y786 HydrophobicContact CG2-CG 4.24Å; T726-Y786 VanDerWaalsContact CG2-CZ 3.47Å; C782-Y786 HydrophobicContact CB-CD2 4.27Å; C782-Y786 HydrophobicContact CB-CE2 4.21Å; C782-Y786 VanDerWaalsContact O-CD2 3.27Å; C782-Y786 WeakPolarHBondContact O-CD2 3.47Å; C782-Y786 PolarHBondContact O-N 3.37Å; F784-Y786 PolarHBondContact O-N 3.14Å; Y786-S790 WeakPolarHBondContact O-CB 3.44Å; Y786-S790 PolarHBondContact O-N 3.15Å; Y786-S790 PolarHBondContact O-OG 2.81Å; Y786-M799 HydrophobicContact CD1-CB 4.31Å; Y786-M799 HydrophobicContact CD1-CE 4.26Å; Y786-M799 HydrophobicContact CE1-CE 3.56Å; Y786-L803 HydrophobicContact CD2-CD1 4.3Å; Y786-L803 HydrophobicContact CD2-CD2 4.03Å
787	K	96.6	Very high	94.8	Very high	109 Å²	109	42.2 Å²	42.2	47%	0.474	20%	0.196	S	C	.	.	H	α-helix	trans	-65.4	-44.8	173.6	-179	-177.4	176.7	-177.1	0	111.8	S783 F784 S790 R791 F800	S783-K787 WeakPolarHBondContact O-CB 3.42Å; S783-K787 PolarHBondContact O-N 3.42Å; S783-K787 VanDerWaalsContact O-N 3.09Å; F784-K787 PolarHBondContact O-N 3.43Å; K787-S790 PolarHBondContact O-N 2.99Å; K787-S790 PolarHBondContact O-OG 2.86Å; K787-R791 WeakPolarHBondContact O-CG 3.36Å; K787-R791 PolarHBondContact O-N 2.7Å; K787-F800 HydrophobicContact CB-CD2 4.22Å; K787-F800 HydrophobicContact CB-CE2 3.71Å; K787-F800 HydrophobicContact CB-CZ 4.02Å; K787-F800 HydrophobicContact CG-CE2 4.4Å; K787-F800 HydrophobicContact CG-CZ 4.21Å
788	E	96.4	Very high	95	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.023	20%	0.204	C	C	.	.	H	α-helix	trans	-69.5	-36.8	178.5	-65	-57.2	157.8	0	0	111	F682 Q683 F784 V785 R791 F792	F682-E788 HydrophobicContact CD1-CB 4.13Å; F682-E788 HydrophobicContact CE1-CB 3.66Å; Q683-E788 PolarHBondContact NE2-OE1 3.11Å; F784-E788 HydrophobicContact CD1-CG 4.36Å; F784-E788 HydrophobicContact CD2-CG 4.39Å; F784-E788 HydrophobicContact CE1-CG 3.98Å; F784-E788 HydrophobicContact CE2-CG 4.07Å; F784-E788 HydrophobicContact CZ-CG 3.86Å; F784-E788 WeakPolarHBondContact O-CG 3.39Å; F784-E788 PolarHBondContact O-N 3.05Å; V785-E788 PolarHBondContact O-N 3.21Å; E788-R791 PolarHBondContact O-N 3.27Å; E788-R791 IonicContact OE1-NH1 2.8Å; E788-R791 PolarHBondContact OE1-NH1 2.96Å; E788-R791 IonicContact OE2-CZ 3.85Å; E788-R791 IonicContact OE2-NH1 3.19Å; E788-R791 PolarHBondContact OE2-NH1 3.47Å; E788-F792 VanDerWaalsContact O-CB 3.25Å; E788-F792 WeakPolarHBondContact O-CB 3.36Å; E788-F792 PolarHBondContact O-N 3.28Å
789	F	96.3	Very high	95	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-37.1	171.9	-86.5	-62.4	0	0	0	113.4	L581 F682 M715 M716 V785 R791 F792 H793 I796	L581-F789 HydrophobicContact CD1-CE1 4.43Å; F682-F789 HydrophobicContact CE1-CD2 4.43Å; F682-F789 HydrophobicContact CE1-CE1 4.5Å; F682-F789 HydrophobicContact CE1-CE2 4.35Å; F682-F789 HydrophobicContact CE1-CZ 4.36Å; F682-F789 HydrophobicContact CE2-CE1 4.14Å; F682-F789 HydrophobicContact CE2-CZ 4.29Å; F682-F789 AromaticContact CZ-CD1 3.84Å; F682-F789 HydrophobicContact CZ-CD1 3.84Å; F682-F789 HydrophobicContact CZ-CD2 4.4Å; F682-F789 AromaticContact CZ-CE1 3.62Å; F682-F789 HydrophobicContact CZ-CE1 3.62Å; F682-F789 HydrophobicContact CZ-CE2 4.2Å; F682-F789 HydrophobicContact CZ-CG 4.21Å; F682-F789 AromaticContact CZ-CZ 3.79Å; F682-F789 HydrophobicContact CZ-CZ 3.79Å; M715-F789 HydrophobicContact CB-CE2 4.07Å; M715-F789 HydrophobicContact CB-CZ 3.9Å; M715-F789 WeakPolarHBondContact O-CE2 3.44Å; M716-F789 HydrophobicContact CB-CZ 4.3Å; M716-F789 HydrophobicContact CG-CE1 3.81Å; M716-F789 HydrophobicContact CG-CZ 3.61Å; V785-F789 HydrophobicContact CG2-CD2 3.59Å; V785-F789 HydrophobicContact CG2-CE2 3.51Å; V785-F789 WeakPolarHBondContact O-CB 3.33Å; V785-F789 WeakPolarHBondContact O-CD2 3.47Å; V785-F789 PolarHBondContact O-N 3.42Å; F789-R791 VanDerWaalsContact C-N 3.34Å; F789-F792 HydrophobicContact CD1-CD1 4.35Å; F789-F792 PolarHBondContact O-N 3.24Å; F789-H793 PolarHBondContact O-N 3.47Å; F789-I796 HydrophobicContact CB-CD1 4.12Å; F789-I796 HydrophobicContact CB-CG2 4.06Å; F789-I796 HydrophobicContact CD1-CD1 4.03Å; F789-I796 HydrophobicContact CG-CD1 4.38Å
790	S	95.6	Very high	95.2	Very high	18 Å²	18	41 Å²	41	13%	0.126	20%	0.195	C	C	.	.	H	α-helix	trans	-69.7	-32.2	176.5	71.3	0	0	0	0	112.5	Y786 K787 H793	Y786-S790 WeakPolarHBondContact O-CB 3.44Å; Y786-S790 PolarHBondContact O-N 3.15Å; Y786-S790 PolarHBondContact O-OG 2.81Å; K787-S790 PolarHBondContact O-N 2.99Å; K787-S790 PolarHBondContact O-OG 2.86Å; S790-H793 CarbonylContact O-C 3.45Å
791	R	94.9	Very high	95.4	Very high	79 Å²	79	38.4 Å²	38.4	30%	0.298	19%	0.187	S	C	.	.	H	α-helix	trans	-68.4	-41.7	170.2	-75.1	177.7	64.3	-152	3.1	111.7	V686 N687 E690 K787 E788 F789	V686-R791 HydrophobicContact CG1-CB 4.19Å; N687-R791 PolarHBondContact OD1-NH1 3.07Å; N687-R791 PolarHBondContact OD1-NH2 3.14Å; E690-R791 IonicContact OE1-CZ 3.34Å; E690-R791 IonicContact OE1-NE 3.57Å; E690-R791 PolarHBondContact OE1-NE 3.18Å; E690-R791 IonicContact OE1-NH2 2.93Å; E690-R791 PolarHBondContact OE1-NH2 3.16Å; E690-R791 IonicContact OE2-CZ 3.05Å; E690-R791 IonicContact OE2-NE 3.12Å; E690-R791 IonicContact OE2-NH2 3.79Å; E690-R791 PolarHBondContact OE2-NH2 3.06Å; K787-R791 WeakPolarHBondContact O-CG 3.36Å; K787-R791 PolarHBondContact O-N 2.7Å; E788-R791 PolarHBondContact O-N 3.27Å; E788-R791 IonicContact OE1-NH1 2.8Å; E788-R791 PolarHBondContact OE1-NH1 2.96Å; E788-R791 IonicContact OE2-CZ 3.85Å; E788-R791 IonicContact OE2-NH1 3.19Å; E788-R791 PolarHBondContact OE2-NH1 3.47Å; F789-R791 VanDerWaalsContact C-N 3.34Å
792	F	93.8	Very high	95.6	Very high	24 Å²	24	38.5 Å²	38.5	11%	0.105	19%	0.191	C	C	.	.	H	α-helix	trans	-69.2	-41.8	-180	-173.1	-132.5	0	0	0	111.8	L581 Y584 F682 V686 T689 I702 I712 E788 F789	L581-F792 HydrophobicContact CD2-CD1 4.34Å; L581-F792 HydrophobicContact CD2-CE1 3.9Å; Y584-F792 HydrophobicContact CE2-CE1 4.12Å; Y584-F792 AromaticContact CE2-CZ 3.83Å; Y584-F792 HydrophobicContact CE2-CZ 3.83Å; Y584-F792 AromaticContact CZ-CZ 3.96Å; F682-F792 HydrophobicContact CZ-CD1 4.46Å; V686-F792 HydrophobicContact CG1-CB 4.17Å; V686-F792 HydrophobicContact CG2-CB 3.94Å; V686-F792 HydrophobicContact CG2-CD2 4.3Å; V686-F792 HydrophobicContact CG2-CG 4.13Å; T689-F792 HydrophobicContact CG2-CE2 4.24Å; T689-F792 WeakPolarHBondContact OG1-CD2 3.4Å; T689-F792 WeakPolarHBondContact OG1-CE2 3.23Å; I702-F792 HydrophobicContact CD1-CE2 3.86Å; I702-F792 HydrophobicContact CD1-CZ 3.43Å; I702-F792 VanDerWaalsContact CD1-CZ 3.43Å; I712-F792 HydrophobicContact CD1-CZ 4.42Å; E788-F792 VanDerWaalsContact O-CB 3.25Å; E788-F792 WeakPolarHBondContact O-CB 3.36Å; E788-F792 PolarHBondContact O-N 3.28Å; F789-F792 HydrophobicContact CD1-CD1 4.35Å; F789-F792 PolarHBondContact O-N 3.24Å
793	H	93.4	Very high	95.7	Very high	7 Å²	7	38.5 Å²	38.5	3%	0.032	19%	0.191	C	C	.	.			trans	-139	120.9	178.1	-81.9	-95.4	0	0	0	112.7	L581 Y584 F789 S790 E795 I796	L581-H793 WeakPolarHBondContact CD2-CD2 3.37Å; L581-H793 VanDerWaalsContact CD2-NE2 3.35Å; L581-H793 WeakPolarHBondContact CD2-NE2 3.19Å; Y584-H793 AromaticContact CE2-CE1 3.88Å; Y584-H793 AromaticContact CE2-NE2 3.31Å; Y584-H793 VanDerWaalsContact CE2-NE2 3.31Å; Y584-H793 WeakPolarHBondContact CE2-NE2 3.36Å; Y584-H793 AromaticContact CZ-NE2 3.6Å; Y584-H793 PolarHBondContact OH-CE1 2.95Å; Y584-H793 PolarHBondContact OH-NE2 3.24Å; F789-H793 PolarHBondContact O-N 3.47Å; S790-H793 CarbonylContact O-C 3.45Å; H793-E795 IonicContact ND1-OE2 3.43Å; H793-E795 PolarHBondContact O-N 3.45Å; H793-I796 HydrophobicContact CB-CD1 3.8Å; H793-I796 HydrophobicContact CB-CG1 4.03Å; H793-I796 PolarHBondContact O-N 2.99Å; H793-I796 VanDerWaalsContact O-N 3.11Å
794	K	92.9	Very high	95.9	Very high	177 Å²	177	40.1 Å²	40.1	77%	0.77	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-64.9	-28.1	-179.9	-64	-178.4	-178	176.8	0	112.5	I796 T797	K794-I796 PolarHBondContact O-N 2.94Å; K794-T797 VanDerWaalsContact O-CB 3.31Å; K794-T797 WeakPolarHBondContact O-CB 3.42Å; K794-T797 PolarHBondContact O-N 3.16Å; K794-T797 VanDerWaalsContact O-N 3.15Å; K794-T797 PolarHBondContact O-OG1 3.47Å
795	E	95.3	Very high	95.9	Very high	61 Å²	61	42.8 Å²	42.8	29%	0.285	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-62.2	-19.1	176.5	-67.1	84.4	174.5	0	0	113.5	K580 H793 P798	K580-E795 HydrophobicContact CD-CG 4.3Å; K580-E795 WeakPolarHBondContact CD-OE1 3.44Å; K580-E795 WeakPolarHBondContact CE-OE1 3.28Å; K580-E795 HydrophobicContact CG-CG 4.4Å; K580-E795 IonicContact NZ-OE1 2.68Å; K580-E795 PolarHBondContact NZ-OE1 3.46Å; H793-E795 IonicContact ND1-OE2 3.43Å; H793-E795 PolarHBondContact O-N 3.45Å; E795-P798 WeakPolarHBondContact O-CD 3.48Å
796	I	96	Very high	96	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-93.4	-8.9	-179.3	-53.8	173	0	0	0	111.7	L575 L581 F789 H793 K794 P798 M799	L575-I796 HydrophobicContact CD2-CD1 3.85Å; L575-I796 HydrophobicContact CD2-CG1 4.1Å; L575-I796 HydrophobicContact CD2-CG2 4.37Å; L581-I796 HydrophobicContact CD1-CD1 3.86Å; L581-I796 HydrophobicContact CG-CD1 4.41Å; F789-I796 HydrophobicContact CB-CD1 4.12Å; F789-I796 HydrophobicContact CB-CG2 4.06Å; F789-I796 HydrophobicContact CD1-CD1 4.03Å; F789-I796 HydrophobicContact CG-CD1 4.38Å; H793-I796 HydrophobicContact CB-CD1 3.8Å; H793-I796 HydrophobicContact CB-CG1 4.03Å; H793-I796 PolarHBondContact O-N 2.99Å; H793-I796 VanDerWaalsContact O-N 3.11Å; K794-I796 PolarHBondContact O-N 2.94Å; I796-P798 VanDerWaalsContact C-N 3.26Å; I796-P798 VanDerWaalsContact O-N 3.12Å; I796-M799 HydrophobicContact CG2-CB 4.24Å; I796-M799 HydrophobicContact CG2-CG 4.35Å; I796-M799 HydrophobicContact CG2-SD 3.97Å; I796-M799 WeakPolarHBondContact O-CB 3.33Å; I796-M799 PolarHBondContact O-N 3.27Å
797	T	96	Very high	96	Very high	45 Å²	45	46.9 Å²	46.9	28%	0.276	23%	0.23	S	C	.	.	H	α-helix	trans	-48.2	-39.5	177.2	-47.4	0	0	0	0	113.8	K794 M799 F800 D801	K794-T797 VanDerWaalsContact O-CB 3.31Å; K794-T797 WeakPolarHBondContact O-CB 3.42Å; K794-T797 PolarHBondContact O-N 3.16Å; K794-T797 VanDerWaalsContact O-N 3.15Å; K794-T797 PolarHBondContact O-OG1 3.47Å; T797-M799 PolarHBondContact O-N 3.26Å; T797-M799 VanDerWaalsContact O-N 3.16Å; T797-F800 WeakPolarHBondContact O-CA 3.49Å; T797-F800 WeakPolarHBondContact O-CB 3.5Å; T797-F800 PolarHBondContact O-N 3.2Å; T797-D801 PolarHBondContact O-N 3.29Å
798	P	95.9	Very high	96	Very high	75 Å²	75	43.9 Å²	43.9	49%	0.487	23%	0.225	S	C	.	.	H	α-helix	trans	-56.2	-32.5	176.4	-27.3	36.7	0	0	0	114.7	E795 I796 G802	E795-P798 WeakPolarHBondContact O-CD 3.48Å; I796-P798 VanDerWaalsContact C-N 3.26Å; I796-P798 VanDerWaalsContact O-N 3.12Å; P798-G802 PolarHBondContact O-N 2.98Å
799	M	96.5	Very high	96	Very high	4 Å²	4	47 Å²	47	2%	0.02	24%	0.24	C	C	.	.	H	α-helix	trans	-70.2	-38.8	175.2	-65.8	-175.5	75	0	0	111.7	F507 T571 L575 T726 Y786 I796 T797 G802 L803	F507-M799 HydrophobicContact CB-CG 3.96Å; F507-M799 HydrophobicContact CD1-CE 4.44Å; F507-M799 HydrophobicContact CD1-CG 3.79Å; F507-M799 HydrophobicContact CD1-SD 3.44Å; F507-M799 WeakPolarHBondContact CD1-SD 3.48Å; F507-M799 HydrophobicContact CD2-CG 4.23Å; F507-M799 HydrophobicContact CE1-CG 4.33Å; F507-M799 HydrophobicContact CE1-SD 3.59Å; F507-M799 VanDerWaalsContact CE1-SD 3.59Å; F507-M799 HydrophobicContact CG-CG 3.74Å; F507-M799 HydrophobicContact CG-SD 4.05Å; F507-M799 HydrophobicContact CZ-SD 4.3Å; T571-M799 HydrophobicContact CG2-CE 3.99Å; L575-M799 HydrophobicContact CD2-SD 4.19Å; T726-M799 WeakPolarHBondContact CB-O 3.48Å; T726-M799 HydrophobicContact CG2-CB 4.21Å; T726-M799 HydrophobicContact CG2-CE 4.17Å; T726-M799 WeakPolarHBondContact CG2-O 3.17Å; T726-M799 WeakPolarHBondContact OG1-CE 3.39Å; Y786-M799 HydrophobicContact CD1-CB 4.31Å; Y786-M799 HydrophobicContact CD1-CE 4.26Å; Y786-M799 HydrophobicContact CE1-CE 3.56Å; I796-M799 HydrophobicContact CG2-CB 4.24Å; I796-M799 HydrophobicContact CG2-CG 4.35Å; I796-M799 HydrophobicContact CG2-SD 3.97Å; I796-M799 WeakPolarHBondContact O-CB 3.33Å; I796-M799 PolarHBondContact O-N 3.27Å; T797-M799 PolarHBondContact O-N 3.26Å; T797-M799 VanDerWaalsContact O-N 3.16Å; M799-G802 PolarHBondContact O-N 3.43Å; M799-L803 PolarHBondContact O-N 3.17Å
800	F	97.3	Very high	96	Very high	41 Å²	41	47.5 Å²	47.5	18%	0.18	24%	0.241	C	C	.	.	H	α-helix	trans	-69.5	-39.1	177	-176.3	-118	0	0	0	111.7	K787 T797 L803 N804	K787-F800 HydrophobicContact CB-CD2 4.22Å; K787-F800 HydrophobicContact CB-CE2 3.71Å; K787-F800 HydrophobicContact CB-CZ 4.02Å; K787-F800 HydrophobicContact CG-CE2 4.4Å; K787-F800 HydrophobicContact CG-CZ 4.21Å; T797-F800 WeakPolarHBondContact O-CA 3.49Å; T797-F800 WeakPolarHBondContact O-CB 3.5Å; T797-F800 PolarHBondContact O-N 3.2Å; F800-L803 HydrophobicContact CD2-CD2 4.27Å; F800-L803 HydrophobicContact CE2-CD2 4.43Å; F800-L803 WeakPolarHBondContact O-CB 3.5Å; F800-L803 PolarHBondContact O-N 2.91Å; F800-N804 WeakPolarHBondContact CE1-ND2 3.2Å; F800-N804 WeakPolarHBondContact CZ-ND2 3.45Å; F800-N804 PolarHBondContact O-N 2.97Å; F800-N804 PolarHBondContact O-ND2 2.97Å
801	D	96.7	Very high	95.9	Very high	78 Å²	78	49.6 Å²	49.6	42%	0.417	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-43.4	173.4	-66.5	-21.4	0	0	0	111.1	T797 L803 N804 N805	T797-D801 PolarHBondContact O-N 3.29Å; D801-L803 VanDerWaalsContact C-N 3.34Å; D801-L803 PolarHBondContact O-N 2.89Å; D801-N804 PolarHBondContact O-N 3.09Å; D801-N805 WeakPolarHBondContact O-CB 3.25Å; D801-N805 PolarHBondContact O-N 3.42Å; D801-N805 PolarHBondContact O-ND2 2.9Å
802	G	96	Very high	95.9	Very high	14 Å²	14	51.5 Å²	51.5	14%	0.144	26%	0.263	C	S	.	.	H	α-helix	trans	-57.1	-44.3	173.4	0	0	0	0	0	112.8	P798 M799 N805 N806	P798-G802 PolarHBondContact O-N 2.98Å; M799-G802 PolarHBondContact O-N 3.43Å; G802-N805 PolarHBondContact O-N 3.28Å; G802-N806 PolarHBondContact O-N 3.4Å; G802-N806 PolarHBondContact O-ND2 3.09Å
803	L	97.3	Very high	95.9	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58	-48.9	173.9	-177.2	79.4	0	0	0	111.9	I725 T726 I778 C782 Y786 M799 F800 D801 N805 N806 R807	I725-L803 HydrophobicContact CB-CD1 4.32Å; I725-L803 HydrophobicContact CG1-CD1 3.85Å; I725-L803 HydrophobicContact CG2-CD1 3.53Å; T726-L803 HydrophobicContact CG2-CB 4.44Å; I778-L803 HydrophobicContact CG1-CD1 4.33Å; I778-L803 HydrophobicContact CG2-CD1 3.87Å; I778-L803 HydrophobicContact CG2-CD2 4.35Å; I778-L803 HydrophobicContact CG2-CG 3.97Å; C782-L803 HydrophobicContact CB-CD1 3.75Å; C782-L803 HydrophobicContact CB-CD2 4.36Å; Y786-L803 HydrophobicContact CD2-CD1 4.3Å; Y786-L803 HydrophobicContact CD2-CD2 4.03Å; M799-L803 PolarHBondContact O-N 3.17Å; F800-L803 HydrophobicContact CD2-CD2 4.27Å; F800-L803 HydrophobicContact CE2-CD2 4.43Å; F800-L803 WeakPolarHBondContact O-CB 3.5Å; F800-L803 PolarHBondContact O-N 2.91Å; D801-L803 VanDerWaalsContact C-N 3.34Å; D801-L803 PolarHBondContact O-N 2.89Å; L803-N805 PolarHBondContact O-N 3.06Å; L803-N806 PolarHBondContact O-N 3.46Å; L803-R807 WeakPolarHBondContact O-CB 3.38Å; L803-R807 PolarHBondContact O-N 2.88Å
804	N	97.4	Very high	95.9	Very high	57 Å²	57	53.9 Å²	53.9	31%	0.305	28%	0.278	S	S	.	.	H	α-helix	trans	-66.1	-37.6	-177.9	-70.5	-41.4	0	0	0	112.1	F800 D801 R807 A808	F800-N804 WeakPolarHBondContact CE1-ND2 3.2Å; F800-N804 WeakPolarHBondContact CZ-ND2 3.45Å; F800-N804 PolarHBondContact O-N 2.97Å; F800-N804 PolarHBondContact O-ND2 2.97Å; D801-N804 PolarHBondContact O-N 3.09Å; N804-R807 WeakPolarHBondContact O-CB 3.41Å; N804-R807 PolarHBondContact O-N 3.31Å; N804-A808 PolarHBondContact O-N 3.48Å; N804-A808 VanDerWaalsContact O-N 3.07Å
805	N	96.8	Very high	95.8	Very high	96 Å²	96	50.4 Å²	50.4	51%	0.513	26%	0.264	S	S	.	.	H	α-helix	trans	-64	-46.7	174.5	-67.8	-22.5	0	0	0	111.1	D801 G802 L803 R807 A808 H809	D801-N805 WeakPolarHBondContact O-CB 3.25Å; D801-N805 PolarHBondContact O-N 3.42Å; D801-N805 PolarHBondContact O-ND2 2.9Å; G802-N805 PolarHBondContact O-N 3.28Å; L803-N805 PolarHBondContact O-N 3.06Å; N805-R807 VanDerWaalsContact C-N 3.33Å; N805-R807 PolarHBondContact O-N 3.37Å; N805-A808 WeakPolarHBondContact O-CB 3.47Å; N805-A808 PolarHBondContact O-N 2.87Å; N805-A808 VanDerWaalsContact O-N 3.15Å; N805-H809 PolarHBondContact O-CD2 3.4Å; N805-H809 PolarHBondContact O-N 2.94Å; N805-H809 VanDerWaalsContact O-N 3.12Å
806	N	97.3	Very high	95.6	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-37.5	176.6	-71.6	-25.3	0	0	0	112.1	I725 K727 G802 L803 A808 H809 W810	I725-N806 PolarHBondContact O-ND2 3.28Å; K727-N806 PolarHBondContact O-ND2 3.35Å; G802-N806 PolarHBondContact O-N 3.4Å; G802-N806 PolarHBondContact O-ND2 3.09Å; L803-N806 PolarHBondContact O-N 3.46Å; N806-A808 VanDerWaalsContact C-N 3.29Å; N806-A808 PolarHBondContact O-N 2.76Å; N806-H809 PolarHBondContact O-N 3.35Å; N806-W810 PolarHBondContact O-N 2.87Å
807	R	97.3	Very high	95.3	Very high	86 Å²	86	54.2 Å²	54.2	33%	0.325	29%	0.287	S	S	.	.	H	α-helix	trans	-57.2	-43.5	172.5	-171	-156.8	-179.8	-89.9	-9.3	111.5	I778 D779 L803 N804 N805 W810 N811	I778-R807 HydrophobicContact CD1-CB 4.38Å; I778-R807 HydrophobicContact CG2-CB 4.02Å; I778-R807 HydrophobicContact CG2-CG 4.01Å; D779-R807 WeakPolarHBondContact OD1-CD 3.36Å; D779-R807 IonicContact OD1-CZ 2.86Å; D779-R807 IonicContact OD1-NE 3.73Å; D779-R807 PolarHBondContact OD1-NE 3.32Å; D779-R807 IonicContact OD1-NH2 2.74Å; D779-R807 IonicContact OD2-CZ 3.66Å; D779-R807 IonicContact OD2-NE 2.69Å; D779-R807 IonicContact OD2-NH2 3.77Å; D779-R807 PolarHBondContact OD2-NH2 2.87Å; L803-R807 WeakPolarHBondContact O-CB 3.38Å; L803-R807 PolarHBondContact O-N 2.88Å; N804-R807 WeakPolarHBondContact O-CB 3.41Å; N804-R807 PolarHBondContact O-N 3.31Å; N805-R807 VanDerWaalsContact C-N 3.33Å; N805-R807 PolarHBondContact O-N 3.37Å; R807-W810 PolarHBondContact O-N 2.93Å; R807-N811 WeakPolarHBondContact O-CB 3.36Å; R807-N811 PolarHBondContact O-N 3.14Å
808	A	96.6	Very high	94.9	Very high	46 Å²	46	54.9 Å²	54.9	38%	0.38	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-47.4	178.6	0	0	0	0	0	111.3	N804 N805 N806 W810 N811 E812	N804-A808 PolarHBondContact O-N 3.48Å; N804-A808 VanDerWaalsContact O-N 3.07Å; N805-A808 WeakPolarHBondContact O-CB 3.47Å; N805-A808 PolarHBondContact O-N 2.87Å; N805-A808 VanDerWaalsContact O-N 3.15Å; N806-A808 VanDerWaalsContact C-N 3.29Å; N806-A808 PolarHBondContact O-N 2.76Å; A808-W810 PolarHBondContact O-N 2.99Å; A808-N811 WeakPolarHBondContact O-CB 3.24Å; A808-N811 PolarHBondContact O-N 3.38Å; A808-N811 VanDerWaalsContact O-N 3.16Å; A808-E812 WeakPolarHBondContact O-CG 3.39Å; A808-E812 PolarHBondContact O-N 3.01Å
809	H	95.8	Very high	94.5	Very high	71 Å²	71	54.2 Å²	54.2	33%	0.329	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-43.9	175.8	-72.7	-52	0	0	0	113.1	W729 N805 N806 N811 E812 L813	W729-H809 HydrophobicContact CD2-CB 3.9Å; W729-H809 AromaticContact CD2-CD2 3.98Å; W729-H809 HydrophobicContact CE3-CB 3.51Å; W729-H809 AromaticContact CE3-CD2 3.96Å; W729-H809 AromaticContact CE3-CG 3.99Å; W729-H809 HydrophobicContact CH2-CB 3.78Å; W729-H809 HydrophobicContact CZ2-CB 4.15Å; W729-H809 HydrophobicContact CZ3-CB 3.44Å; W729-H809 VanDerWaalsContact CZ3-CB 3.44Å; N805-H809 PolarHBondContact O-CD2 3.4Å; N805-H809 PolarHBondContact O-N 2.94Å; N805-H809 VanDerWaalsContact O-N 3.12Å; N806-H809 PolarHBondContact O-N 3.35Å; H809-N811 VanDerWaalsContact C-N 3.3Å; H809-N811 PolarHBondContact O-N 2.99Å; H809-E812 IonicContact ND1-OE2 3.49Å; H809-E812 PolarHBondContact O-N 2.75Å; H809-L813 WeakPolarHBondContact O-CG 3.45Å; H809-L813 PolarHBondContact O-N 2.7Å; H809-L813 VanDerWaalsContact O-N 3.13Å
810	W	96.4	Very high	94.1	Very high	13 Å²	13	58.6 Å²	58.6	5%	0.049	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-37.5	175	-78.4	116.8	0	0	0	112.6	W729 A736 P771 Q774 N806 R807 A808 L813 A814	W729-W810 AromaticContact CH2-CD2 3.87Å; W729-W810 HydrophobicContact CH2-CD2 3.87Å; W729-W810 AromaticContact CH2-CE2 3.77Å; W729-W810 HydrophobicContact CH2-CE3 4.18Å; W729-W810 HydrophobicContact CH2-CG 4.29Å; W729-W810 HydrophobicContact CH2-CH2 4.37Å; W729-W810 HydrophobicContact CH2-CZ2 4.02Å; W729-W810 HydrophobicContact CH2-CZ3 4.44Å; W729-W810 AromaticContact CZ3-CD1 3.82Å; W729-W810 HydrophobicContact CZ3-CD2 4.04Å; W729-W810 AromaticContact CZ3-CE2 3.72Å; W729-W810 HydrophobicContact CZ3-CG 4.11Å; W729-W810 HydrophobicContact CZ3-CZ2 4.23Å; W729-W810 AromaticContact CZ3-NE1 3.53Å; A736-W810 HydrophobicContact CB-CH2 4.02Å; A736-W810 HydrophobicContact CB-CZ2 3.54Å; P771-W810 HydrophobicContact CB-CE3 3.82Å; P771-W810 HydrophobicContact CB-CZ3 4.25Å; P771-W810 HydrophobicContact CG-CE3 4.19Å; P771-W810 HydrophobicContact CG-CZ3 4.12Å; Q774-W810 HydrophobicContact CB-CD2 3.87Å; Q774-W810 HydrophobicContact CB-CE3 4.31Å; Q774-W810 HydrophobicContact CB-CG 4.02Å; Q774-W810 HydrophobicContact CG-CD2 4.27Å; Q774-W810 HydrophobicContact CG-CH2 4.42Å; Q774-W810 HydrophobicContact CG-CZ2 4.22Å; N806-W810 PolarHBondContact O-N 2.87Å; R807-W810 PolarHBondContact O-N 2.93Å; A808-W810 PolarHBondContact O-N 2.99Å; W810-L813 HydrophobicContact CE3-CD1 3.92Å; W810-L813 HydrophobicContact CZ3-CD1 3.98Å; W810-L813 PolarHBondContact O-N 3.36Å; W810-A814 WeakPolarHBondContact O-CB 3.41Å; W810-A814 PolarHBondContact O-N 3.16Å
811	N	95.1	Very high	93.5	Very high	63 Å²	63	60.3 Å²	60.3	34%	0.337	32%	0.319	S	S	.	.	H	α-helix	trans	-67.4	-40.8	177.7	-170.6	80.3	0	0	0	111.6	R807 A808 H809 L813 A814 E815	R807-N811 WeakPolarHBondContact O-CB 3.36Å; R807-N811 PolarHBondContact O-N 3.14Å; A808-N811 WeakPolarHBondContact O-CB 3.24Å; A808-N811 PolarHBondContact O-N 3.38Å; A808-N811 VanDerWaalsContact O-N 3.16Å; H809-N811 VanDerWaalsContact C-N 3.3Å; H809-N811 PolarHBondContact O-N 2.99Å; N811-L813 VanDerWaalsContact C-N 3.33Å; N811-L813 PolarHBondContact O-N 2.7Å; N811-A814 PolarHBondContact O-N 3.04Å; N811-E815 WeakPolarHBondContact O-CG 3.48Å; N811-E815 PolarHBondContact O-N 3.32Å
812	E	94.8	Very high	93	Very high	118 Å²	118	63 Å²	63	55%	0.551	33%	0.327	S	S	*	.	H	α-helix	trans	-56.8	-46.6	172.9	-71.9	170.5	177.3	0	0	111.3	A808 H809 A814 E815 V816	A808-E812 WeakPolarHBondContact O-CG 3.39Å; A808-E812 PolarHBondContact O-N 3.01Å; H809-E812 IonicContact ND1-OE2 3.49Å; H809-E812 PolarHBondContact O-N 2.75Å; E812-A814 PolarHBondContact O-N 3Å; E812-E815 PolarHBondContact O-N 3.16Å; E812-V816 WeakPolarHBondContact O-CG2 3.49Å; E812-V816 PolarHBondContact O-N 2.57Å; E812-V816 VanDerWaalsContact O-N 3.1Å
813	L	93.5	Very high	92.6	Very high	77 Å²	77	65.1 Å²	65.1	40%	0.403	34%	0.343	S	S	.	.	H	α-helix	trans	-64.1	-38.2	175.9	-68.4	176.4	0	0	0	112.7	W729 P771 H809 W810 N811 V816 Y817	W729-L813 HydrophobicContact CH2-CD1 3.8Å; W729-L813 HydrophobicContact CZ2-CD1 3.81Å; P771-L813 HydrophobicContact CB-CB 3.9Å; P771-L813 HydrophobicContact CG-CB 3.99Å; H809-L813 WeakPolarHBondContact O-CG 3.45Å; H809-L813 PolarHBondContact O-N 2.7Å; H809-L813 VanDerWaalsContact O-N 3.13Å; W810-L813 HydrophobicContact CE3-CD1 3.92Å; W810-L813 HydrophobicContact CZ3-CD1 3.98Å; W810-L813 PolarHBondContact O-N 3.36Å; N811-L813 VanDerWaalsContact C-N 3.33Å; N811-L813 PolarHBondContact O-N 2.7Å; L813-V816 PolarHBondContact O-N 3.33Å; L813-Y817 PolarHBondContact O-N 3.48Å; L813-Y817 VanDerWaalsContact O-N 3.12Å
814	A	92.4	Very high	92	Very high	5 Å²	5	69 Å²	69	4%	0.041	36%	0.363	C	S	.	.	H	α-helix	trans	-65.7	-40.2	176.9	0	0	0	0	0	111.9	P771 K772 W810 N811 E812 Y817 N818	P771-A814 HydrophobicContact CB-CB 3.97Å; K772-A814 HydrophobicContact CB-CB 4.48Å; W810-A814 WeakPolarHBondContact O-CB 3.41Å; W810-A814 PolarHBondContact O-N 3.16Å; N811-A814 PolarHBondContact O-N 3.04Å; E812-A814 PolarHBondContact O-N 3Å; A814-Y817 PolarHBondContact O-N 2.76Å; A814-N818 WeakPolarHBondContact O-CB 3.49Å; A814-N818 PolarHBondContact O-N 3.11Å; A814-N818 PolarHBondContact O-ND2 3.09Å
815	E	92.1	Very high	91.3	Very high	103 Å²	103	71.2 Å²	71.2	48%	0.481	37%	0.371	S	S	.	.	H	α-helix	trans	-66.3	-38.4	176.3	-71.2	-54	140.2	0	0	112.3	N811 E812 Y817 N818 A819	N811-E815 WeakPolarHBondContact O-CG 3.48Å; N811-E815 PolarHBondContact O-N 3.32Å; E812-E815 PolarHBondContact O-N 3.16Å; E815-Y817 VanDerWaalsContact C-N 3.33Å; E815-Y817 PolarHBondContact O-N 3.43Å; E815-N818 PolarHBondContact O-N 2.68Å; E815-A819 WeakPolarHBondContact O-CB 3.45Å; E815-A819 PolarHBondContact O-N 3.12Å
816	V	91.3	Very high	90.8	Very high	102 Å²	102	70 Å²	70	62%	0.618	36%	0.364	S	S	*	.	H	α-helix	trans	-59.5	-45.1	173	171.8	0	0	0	0	110.9	E812 L813 A819 K820	E812-V816 WeakPolarHBondContact O-CG2 3.49Å; E812-V816 PolarHBondContact O-N 2.57Å; E812-V816 VanDerWaalsContact O-N 3.1Å; L813-V816 PolarHBondContact O-N 3.33Å; V816-A819 PolarHBondContact O-N 3.23Å; V816-K820 PolarHBondContact O-N 3.02Å
817	Y	88.1	Confident	90.1	Very high	40 Å²	40	75.6 Å²	75.6	16%	0.157	39%	0.391	C	S	.	.	H	α-helix	trans	-64.4	-44.7	175.9	174.4	-102	0	0	0	112.3	E768 Q769 L813 A814 E815 A819 K820 M821	E768-Y817 HydrophobicContact CB-CD2 3.76Å; E768-Y817 HydrophobicContact CB-CE2 3.35Å; E768-Y817 HydrophobicContact CG-CE2 4.39Å; E768-Y817 WeakPolarHBondContact OE2-CE2 3.33Å; Q769-Y817 HydrophobicContact CG-CE1 4.1Å; L813-Y817 PolarHBondContact O-N 3.48Å; L813-Y817 VanDerWaalsContact O-N 3.12Å; A814-Y817 PolarHBondContact O-N 2.76Å; E815-Y817 VanDerWaalsContact C-N 3.33Å; E815-Y817 PolarHBondContact O-N 3.43Å; Y817-A819 VanDerWaalsContact C-N 3.3Å; Y817-A819 PolarHBondContact O-N 3.15Å; Y817-K820 WeakPolarHBondContact O-CB 3.19Å; Y817-K820 PolarHBondContact O-N 3.43Å; Y817-M821 HydrophobicContact CD1-CG 4.22Å; Y817-M821 HydrophobicContact CD2-CG 4.23Å; Y817-M821 HydrophobicContact CE1-CG 3.72Å; Y817-M821 HydrophobicContact CE2-CG 3.71Å; Y817-M821 HydrophobicContact CE2-SD 3.95Å; Y817-M821 HydrophobicContact CG-CG 4.48Å; Y817-M821 VanDerWaalsContact CZ-CG 3.45Å; Y817-M821 WeakPolarHBondContact O-CG 3.41Å; Y817-M821 PolarHBondContact O-N 3.18Å
818	N	87.7	Confident	89.4	Confident	59 Å²	59	77.7 Å²	77.7	32%	0.316	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-41	177.6	-70.5	-24.2	0	0	0	111.6	A814 E815 M821 K822	A814-N818 WeakPolarHBondContact O-CB 3.49Å; A814-N818 PolarHBondContact O-N 3.11Å; A814-N818 PolarHBondContact O-ND2 3.09Å; E815-N818 PolarHBondContact O-N 2.68Å; N818-M821 PolarHBondContact O-N 3.32Å; N818-K822 WeakPolarHBondContact O-CB 3.41Å; N818-K822 PolarHBondContact O-N 3.28Å
819	A	88.2	Confident	88.6	Confident	62 Å²	62	79.9 Å²	79.9	51%	0.512	40%	0.403	S	S	.	.	H	α-helix	trans	-64.1	-42.9	175.8	0	0	0	0	0	112.2	E815 V816 Y817 K822 A823	E815-A819 WeakPolarHBondContact O-CB 3.45Å; E815-A819 PolarHBondContact O-N 3.12Å; V816-A819 PolarHBondContact O-N 3.23Å; Y817-A819 VanDerWaalsContact C-N 3.3Å; Y817-A819 PolarHBondContact O-N 3.15Å; A819-K822 PolarHBondContact O-N 3.26Å; A819-A823 PolarHBondContact O-N 3.05Å
820	K	88.3	Confident	88	Confident	96 Å²	96	83 Å²	83	42%	0.417	42%	0.416	S	S	.	.	H	α-helix	trans	-59.4	-47.9	174	-178	-171.5	172.7	-162.2	0	111.2	E768 V816 Y817 A823 I824	E768-K820 VanDerWaalsContact CD-NZ 3.29Å; E768-K820 IonicContact OE1-NZ 3.36Å; E768-K820 PolarHBondContact OE1-NZ 3.35Å; E768-K820 IonicContact OE2-NZ 3.92Å; E768-K820 PolarHBondContact OE2-NZ 3.28Å; V816-K820 PolarHBondContact O-N 3.02Å; Y817-K820 WeakPolarHBondContact O-CB 3.19Å; Y817-K820 PolarHBondContact O-N 3.43Å; K820-A823 PolarHBondContact O-N 2.83Å; K820-I824 HydrophobicContact CG-CD1 4.25Å; K820-I824 WeakPolarHBondContact O-CG1 3.21Å; K820-I824 PolarHBondContact O-N 3.42Å; K820-I824 VanDerWaalsContact O-N 3.11Å
821	M	85.3	Confident	87.2	Confident	77 Å²	77	87 Å²	87	38%	0.379	44%	0.437	S	S	.	.	H	α-helix	trans	-65.2	-40.6	179.6	-71.8	-54.6	-59	0	0	112.7	Y817 N818 A823 I824 E825	Y817-M821 HydrophobicContact CD1-CG 4.22Å; Y817-M821 HydrophobicContact CD2-CG 4.23Å; Y817-M821 HydrophobicContact CE1-CG 3.72Å; Y817-M821 HydrophobicContact CE2-CG 3.71Å; Y817-M821 HydrophobicContact CE2-SD 3.95Å; Y817-M821 HydrophobicContact CG-CG 4.48Å; Y817-M821 VanDerWaalsContact CZ-CG 3.45Å; Y817-M821 WeakPolarHBondContact O-CG 3.41Å; Y817-M821 PolarHBondContact O-N 3.18Å; N818-M821 PolarHBondContact O-N 3.32Å; M821-A823 VanDerWaalsContact C-N 3.34Å; M821-A823 PolarHBondContact O-N 2.74Å; M821-I824 PolarHBondContact O-N 2.79Å; M821-I824 HydrophobicContact SD-CD1 4.3Å; M821-E825 PolarHBondContact O-N 3.12Å
822	K	86.3	Confident	86.4	Confident	135 Å²	135	88.7 Å²	88.7	59%	0.587	44%	0.443	S	S	*	.	H	α-helix	trans	-62.5	-40.9	175.8	-172.9	178.3	178.9	-178.3	0	111.8	N818 A819 I824 E825 D826	N818-K822 WeakPolarHBondContact O-CB 3.41Å; N818-K822 PolarHBondContact O-N 3.28Å; A819-K822 PolarHBondContact O-N 3.26Å; K822-I824 PolarHBondContact O-N 3.3Å; K822-E825 PolarHBondContact O-N 2.95Å; K822-D826 WeakPolarHBondContact O-CB 3.31Å; K822-D826 VanDerWaalsContact O-CG 3.25Å; K822-D826 PolarHBondContact O-N 3.22Å
823	A	87	Confident	85.6	Confident	57 Å²	57	88.4 Å²	88.4	47%	0.471	44%	0.442	S	S	.	.	H	α-helix	trans	-62.5	-41.8	175.6	0	0	0	0	0	112.2	A819 K820 M821 D826 E827	A819-A823 PolarHBondContact O-N 3.05Å; K820-A823 PolarHBondContact O-N 2.83Å; M821-A823 VanDerWaalsContact C-N 3.34Å; M821-A823 PolarHBondContact O-N 2.74Å; A823-D826 PolarHBondContact O-N 3.06Å; A823-E827 WeakPolarHBondContact O-CB 3.37Å; A823-E827 PolarHBondContact O-N 2.93Å
824	I	85.3	Confident	84.7	Confident	83 Å²	83	90 Å²	90	43%	0.426	45%	0.447	S	S	.	.	H	α-helix	trans	-64.2	-41.9	175.3	-66.4	166.7	0	0	0	111	K820 M821 K822 E827 K828	K820-I824 HydrophobicContact CG-CD1 4.25Å; K820-I824 WeakPolarHBondContact O-CG1 3.21Å; K820-I824 PolarHBondContact O-N 3.42Å; K820-I824 VanDerWaalsContact O-N 3.11Å; M821-I824 PolarHBondContact O-N 2.79Å; M821-I824 HydrophobicContact SD-CD1 4.3Å; K822-I824 PolarHBondContact O-N 3.3Å; I824-E827 PolarHBondContact O-N 3.5Å; I824-K828 WeakPolarHBondContact O-CB 3.42Å; I824-K828 PolarHBondContact O-N 3.45Å
825	E	82.5	Confident	83.7	Confident	102 Å²	102	96.4 Å²	96.4	48%	0.477	48%	0.476	S	S	.	.	H	α-helix	trans	-66	-42	177.7	-166.3	-172.4	157.5	0	0	111.9	M821 K822 E827 K828 K829	M821-E825 PolarHBondContact O-N 3.12Å; K822-E825 PolarHBondContact O-N 2.95Å; E825-E827 VanDerWaalsContact C-N 3.33Å; E825-K828 PolarHBondContact O-N 2.84Å; E825-K829 WeakPolarHBondContact O-CB 3.38Å; E825-K829 WeakPolarHBondContact O-CG 3.31Å; E825-K829 PolarHBondContact O-N 3.1Å; E825-K829 VanDerWaalsContact OE1-CE 3.32Å; E825-K829 WeakPolarHBondContact OE1-CE 3.35Å; E825-K829 IonicContact OE1-NZ 2.57Å; E825-K829 PolarHBondContact OE1-NZ 3.04Å
826	D	85.6	Confident	82.5	Confident	70 Å²	70	94.5 Å²	94.5	37%	0.374	48%	0.479	S	S	.	.	H	α-helix	trans	-66	-35.8	176.5	-71.9	-18.7	0	0	0	111.5	K822 A823 K830	K822-D826 WeakPolarHBondContact O-CB 3.31Å; K822-D826 VanDerWaalsContact O-CG 3.25Å; K822-D826 PolarHBondContact O-N 3.22Å; A823-D826 PolarHBondContact O-N 3.06Å; D826-K830 VanDerWaalsContact O-CG 3.3Å; D826-K830 WeakPolarHBondContact O-CG 3.35Å; D826-K830 PolarHBondContact O-N 2.69Å
827	E	82.1	Confident	81.4	Confident	123 Å²	123	97 Å²	97	58%	0.575	48%	0.481	S	S	*	.	H	α-helix	trans	-68.6	-42.5	173.1	-171.4	173.5	-164.1	0	0	111.8	A823 I824 E825 K829 K830 L831	A823-E827 WeakPolarHBondContact O-CB 3.37Å; A823-E827 PolarHBondContact O-N 2.93Å; I824-E827 PolarHBondContact O-N 3.5Å; E825-E827 VanDerWaalsContact C-N 3.33Å; E827-K829 PolarHBondContact O-N 2.94Å; E827-K830 WeakPolarHBondContact O-CB 3.19Å; E827-K830 PolarHBondContact O-N 3.4Å; E827-L831 HydrophobicContact CG-CD1 4.42Å; E827-L831 WeakPolarHBondContact O-CG 3.43Å; E827-L831 PolarHBondContact O-N 3.19Å
828	K	82.4	Confident	80.1	Confident	129 Å²	129	103 Å²	103	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-62.1	-43.7	175.2	-169.2	-179	178.6	-169.6	0	111.6	I824 E825 K830 L831 E832	I824-K828 WeakPolarHBondContact O-CB 3.42Å; I824-K828 PolarHBondContact O-N 3.45Å; E825-K828 PolarHBondContact O-N 2.84Å; K828-K830 VanDerWaalsContact C-N 3.33Å; K828-K830 PolarHBondContact O-N 3.09Å; K828-L831 PolarHBondContact O-N 3.26Å; K828-E832 WeakPolarHBondContact CE-OE1 3.42Å; K828-E832 IonicContact NZ-OE1 3.48Å; K828-E832 WeakPolarHBondContact O-CB 3.45Å; K828-E832 WeakPolarHBondContact O-CG 3.41Å; K828-E832 PolarHBondContact O-N 3.13Å
829	K	81.4	Confident	78.6	Confident	93 Å²	93	104 Å²	104	40%	0.404	52%	0.524	S	S	.	.	H	α-helix	trans	-60.9	-40.9	174	-77.7	175.4	-174.7	158	0	111.9	E825 E827 E832 E833	E825-K829 WeakPolarHBondContact O-CB 3.38Å; E825-K829 WeakPolarHBondContact O-CG 3.31Å; E825-K829 PolarHBondContact O-N 3.1Å; E825-K829 VanDerWaalsContact OE1-CE 3.32Å; E825-K829 WeakPolarHBondContact OE1-CE 3.35Å; E825-K829 IonicContact OE1-NZ 2.57Å; E825-K829 PolarHBondContact OE1-NZ 3.04Å; E827-K829 PolarHBondContact O-N 2.94Å; K829-E832 PolarHBondContact O-N 2.96Å; K829-E833 WeakPolarHBondContact O-CB 3.36Å; K829-E833 VanDerWaalsContact O-CG 3.27Å; K829-E833 WeakPolarHBondContact O-CG 3.4Å; K829-E833 PolarHBondContact O-N 2.68Å
830	K	81.4	Confident	76.9	Confident	137 Å²	137	104.4 Å²	104.4	60%	0.596	53%	0.534	S	S	*	.	H	α-helix	trans	-62.8	-42.1	174.5	-76.6	173.1	-177.6	175.9	0	112.3	D826 E827 K828 E833 E834	D826-K830 VanDerWaalsContact O-CG 3.3Å; D826-K830 WeakPolarHBondContact O-CG 3.35Å; D826-K830 PolarHBondContact O-N 2.69Å; E827-K830 WeakPolarHBondContact O-CB 3.19Å; E827-K830 PolarHBondContact O-N 3.4Å; K828-K830 VanDerWaalsContact C-N 3.33Å; K828-K830 PolarHBondContact O-N 3.09Å; K830-E833 PolarHBondContact O-N 3.29Å; K830-E834 WeakPolarHBondContact O-CB 3.24Å; K830-E834 WeakPolarHBondContact O-CG 3.35Å; K830-E834 PolarHBondContact O-N 2.94Å
831	L	79.7	Confident	75	Confident	95 Å²	95	103.1 Å²	103.1	50%	0.497	55%	0.548	S	S	.	.	H	α-helix	trans	-65.6	-42.8	176.3	-71.2	168.3	0	0	0	111.7	E827 K828 E834 E835	E827-L831 HydrophobicContact CG-CD1 4.42Å; E827-L831 WeakPolarHBondContact O-CG 3.43Å; E827-L831 PolarHBondContact O-N 3.19Å; K828-L831 PolarHBondContact O-N 3.26Å; L831-E834 PolarHBondContact O-N 3.45Å; L831-E835 WeakPolarHBondContact O-CB 3.39Å; L831-E835 WeakPolarHBondContact O-CG 3.33Å; L831-E835 PolarHBondContact O-N 2.97Å
832	E	79.4	Confident	72.9	Confident	99 Å²	99	102.6 Å²	102.6	46%	0.463	56%	0.563	S	S	.	*	H	α-helix	trans	-63.6	-38.6	174.4	-72.8	173.3	-179.2	0	0	111.7	K828 K829 A836	K828-E832 WeakPolarHBondContact CE-OE1 3.42Å; K828-E832 IonicContact NZ-OE1 3.48Å; K828-E832 WeakPolarHBondContact O-CB 3.45Å; K828-E832 WeakPolarHBondContact O-CG 3.41Å; K828-E832 PolarHBondContact O-N 3.13Å; K829-E832 PolarHBondContact O-N 2.96Å; E832-A836 VanDerWaalsContact O-CB 3.26Å; E832-A836 WeakPolarHBondContact O-CB 3.42Å; E832-A836 PolarHBondContact O-N 2.8Å
833	E	77.1	Confident	70.6	Confident	112 Å²	112	99.7 Å²	99.7	52%	0.523	57%	0.572	S	S	.	*	H	α-helix	trans	-68.9	-35.5	173.5	-76.5	178.7	-172.7	0	0	112.9	K829 K830 K837	K829-E833 WeakPolarHBondContact O-CB 3.36Å; K829-E833 VanDerWaalsContact O-CG 3.27Å; K829-E833 WeakPolarHBondContact O-CG 3.4Å; K829-E833 PolarHBondContact O-N 2.68Å; K830-E833 PolarHBondContact O-N 3.29Å; E833-K837 WeakPolarHBondContact O-CB 3.36Å; E833-K837 VanDerWaalsContact O-CG 3.3Å; E833-K837 WeakPolarHBondContact O-CG 3.14Å; E833-K837 PolarHBondContact O-N 3.42Å
834	E	74.4	Confident	68.3	Low	111 Å²	111	101.7 Å²	101.7	52%	0.519	60%	0.597	S	S	.	*	H	α-helix	trans	-71.2	-38.5	174	-79.3	-172.9	176.5	0	0	112.3	K830 L831 K837 K838	K830-E834 WeakPolarHBondContact O-CB 3.24Å; K830-E834 WeakPolarHBondContact O-CG 3.35Å; K830-E834 PolarHBondContact O-N 2.94Å; L831-E834 PolarHBondContact O-N 3.45Å; E834-K837 PolarHBondContact O-N 3.43Å; E834-K838 WeakPolarHBondContact O-CG 3.46Å; E834-K838 PolarHBondContact O-N 3.08Å
835	E	72.1	Confident	66	Low	139 Å²	139	101 Å²	101	65%	0.65	61%	0.611	S	S	*	*	H	α-helix	trans	-65.6	-41.6	171.2	-77.5	-171.8	159.4	0	0	111.4	L831 K837 K838 A839	L831-E835 WeakPolarHBondContact O-CB 3.39Å; L831-E835 WeakPolarHBondContact O-CG 3.33Å; L831-E835 PolarHBondContact O-N 2.97Å; E835-K837 VanDerWaalsContact C-N 3.34Å; E835-K837 PolarHBondContact O-N 3.17Å; E835-K838 PolarHBondContact O-N 3.43Å; E835-A839 WeakPolarHBondContact O-CB 3.5Å; E835-A839 PolarHBondContact O-N 3.32Å
836	A	67.4	Low	63.9	Low	64 Å²	64	106 Å²	106	53%	0.529	63%	0.634	S	S	.	*	H	α-helix	trans	-63.5	-37.3	173.5	0	0	0	0	0	112.3	E832 A839 G840	E832-A836 VanDerWaalsContact O-CB 3.26Å; E832-A836 WeakPolarHBondContact O-CB 3.42Å; E832-A836 PolarHBondContact O-N 2.8Å; A836-A839 PolarHBondContact O-N 3.09Å; A836-G840 PolarHBondContact O-N 3.47Å
837	K	68.1	Low	61.5	Low	154 Å²	154	106.4 Å²	106.4	67%	0.67	66%	0.655	S	S	*	*	H	α-helix	trans	-69.7	-35.5	173.4	-78.7	172.6	-176.3	166.2	0	112.9	E833 E834 E835 G840 G841	E833-K837 WeakPolarHBondContact O-CB 3.36Å; E833-K837 VanDerWaalsContact O-CG 3.3Å; E833-K837 WeakPolarHBondContact O-CG 3.14Å; E833-K837 PolarHBondContact O-N 3.42Å; E834-K837 PolarHBondContact O-N 3.43Å; E835-K837 VanDerWaalsContact C-N 3.34Å; E835-K837 PolarHBondContact O-N 3.17Å; K837-G840 PolarHBondContact O-N 2.86Å; K837-G841 PolarHBondContact O-N 3.19Å
838	K	61.2	Low	59.2	Low	166 Å²	166	104.4 Å²	104.4	72%	0.722	67%	0.668	S	S	*	*	H	α-helix	trans	-69.2	-37.7	172.5	-78.9	175.8	179.5	167.7	0	112	E834 E835 G840 G841	E834-K838 WeakPolarHBondContact O-CG 3.46Å; E834-K838 PolarHBondContact O-N 3.08Å; E835-K838 PolarHBondContact O-N 3.43Å; K838-G840 VanDerWaalsContact C-N 3.35Å; K838-G841 PolarHBondContact O-N 3.22Å
839	A	55.9	Low	57.1	Low	80 Å²	80	108.6 Å²	108.6	66%	0.661	69%	0.686	S	S	*	*	H	α-helix	trans	-69.5	-30.2	173.5	0	0	0	0	0	112.7	E835 A836 G841	E835-A839 WeakPolarHBondContact O-CB 3.5Å; E835-A839 PolarHBondContact O-N 3.32Å; A836-A839 PolarHBondContact O-N 3.09Å; A839-G841 VanDerWaalsContact C-N 3.35Å
840	G	52.4	Low	54.8	Low	70 Å²	70	109.6 Å²	109.6	72%	0.722	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-7.8	174.3	0	0	0	0	0	115.4	A836 K837 K838	A836-G840 PolarHBondContact O-N 3.47Å; K837-G840 PolarHBondContact O-N 2.86Å; K838-G840 VanDerWaalsContact C-N 3.35Å
841	G	47	Very low	52.9	Low	69 Å²	69	112.5 Å²	112.5	71%	0.711	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	0.4	-175.9	0	0	0	0	0	115.7	K837 K838 A839	K837-G841 PolarHBondContact O-N 3.19Å; K838-G841 PolarHBondContact O-N 3.22Å; A839-G841 VanDerWaalsContact C-N 3.35Å
842	G	41.8	Very low	50.7	Low	66 Å²	66	114.7 Å²	114.7	68%	0.68	74%	0.735	S	S	*	*	S	Bend	trans	-126.8	102.4	-176	0	0	0	0	0	113.2
843	G	38.3	Very low	48.3	Very low	75 Å²	75	115 Å²	115	77%	0.773	75%	0.747	S	S	*	*			trans	99.7	80.1	154	0	0	0	0	0	116.5	G845	G843-G845 VanDerWaalsContact C-N 3.34Å; G843-G845 PolarHBondContact O-N 3.23Å; G843-G845 VanDerWaalsContact O-N 3.09Å
844	G	39.3	Very low	46.1	Very low	98 Å²	98	115.7 Å²	115.7	100%	1.01	76%	0.759	S	S	*	*			trans	-65.9	97.2	145.8	0	0	0	0	0	109
845	G	35.6	Very low	44.2	Very low	69 Å²	69	116.3 Å²	116.3	71%	0.711	77%	0.77	S	S	*	*			trans	-156	124.7	173.8	0	0	0	0	0	109.1	G843	G843-G845 VanDerWaalsContact C-N 3.34Å; G843-G845 PolarHBondContact O-N 3.23Å; G843-G845 VanDerWaalsContact O-N 3.09Å
846	E	39.3	Very low	42.2	Very low	206 Å²	206	119.3 Å²	119.3	96%	0.963	80%	0.804	S	S	*	*			trans	-54.5	149.5	-169	-63.6	170.3	125	0	0	115.9
847	G	34.8	Very low	40.9	Very low	80 Å²	80	122.1 Å²	122.1	83%	0.825	82%	0.818	S	S	*	*			trans	134.2	113.9	140.3	0	0	0	0	0	117.7
848	G	33.1	Very low	39.5	Very low	81 Å²	81	120.4 Å²	120.4	84%	0.835	83%	0.825	S	S	*	*			trans	105.9	109.6	136.5	0	0	0	0	0	118.6
849	K	40.2	Very low	38.3	Very low	216 Å²	216	117.8 Å²	117.8	94%	0.939	83%	0.831	S	S	*	*			trans	-50.7	145.7	163.7	-65.1	166.2	172.8	172.2	0	112.7
850	S	32.6	Very low	37.2	Very low	115 Å²	115	120.1 Å²	120.1	80%	0.804	84%	0.841	S	S	*	*				-175.5	141.7	115.5	-166.2	0	0	0	0	112.5
851	K	41.3	Very low	36.3	Very low	198 Å²	198	123.2 Å²	123.2	86%	0.861	85%	0.849	S	S	*	*			trans	-74.3	138.7	168	-66.9	173.4	173.3	-179.3	0	109.2
852	T	32.4	Very low	35.6	Very low	141 Å²	141	126.8 Å²	126.8	87%	0.865	86%	0.858	S	S	*	*			trans	-154.4	126.3	141.8	-14.7	0	0	0	0	112.2
853	C	29.8	Very low	35.1	Very low	105 Å²	105	131.1 Å²	131.1	71%	0.709	87%	0.87	S	S	*	*			trans	-71.3	143.8	166.1	177.7	0	0	0	0	109.7
854	T	31.1	Very low	34.9	Very low	127 Å²	127	135.5 Å²	135.5	78%	0.779	88%	0.878	S	S	*	*				179.1	122.2	124.6	20.5	0	0	0	0	112.7
855	V	33.3	Very low	34.5	Very low	124 Å²	124	138.6 Å²	138.6	75%	0.752	87%	0.867	S	S	*	*				52.2	113.5	126.7	-174.5	0	0	0	0	119.1
856	C	30.3	Very low	34.4	Very low	201 Å²	201	144.9 Å²	144.9	100%	1.358	88%	0.881	S	S	*	*				-148.3	0	101.3	-102.6	0	0	0	0	109.7

Retrieved 856 of 856 residues in 1085.5 ms (Link to these results)

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