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Eukaryotic translation initiation factor 3 subunit C

Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is required for several steps in the initiation of protein synthesis. The eIF-3 complex associates with the 40S ribosome and facilitates the recruitment of eIF-1, eIF-1A, eIF-2:GTP:methionyl-tRNAi and eIF-5 to form the 43S pre-initiation complex (43S PIC). The eIF-3 complex stimulates mRNA recruitment to the 43S PIC and scanning of the mRNA for AUG recognition. The eIF-3 complex is also required for disassembly and recycling of post-termination ribosomal complexes and subsequently prevents premature joining of the 40S and 60S ribosomal subunits prior to initiation. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation, including cell cycling, differentiation and apoptosis, and uses different modes of RNA stem-loop binding to exert either translational activation or repression.

AlphaFold DB , UniProt , Accession A0A087XFB8, Species POEFO (Poecilia formosa, Amazon molly), Gene EIF3C, Length 926 aa.

						>A0A087XFB8_POEFO|A0A087XFB8|EIF3C
MSRFFATGSDSESEESSSADEITPKAPGTTFKQSLLLSDDEEDTKRVVRSAKDKRFEELTNFIKTIRNAMKIRDMSKCLEEFEQLCRAFLKSKNIVDKEGVPQFYIRLLADLEDYLNQLWEDKEGKKKMNKNNAKALSTLRQKIRKYNRDFETEIAAYKENPQESADEEEEKEQEDSGSSSESDDDDDDVGEEVSAKSFLKKKPEGPSEASKFLKSAKGSGDESTSSDEDDDDEDWGGDTEESGSESSDDEEGKSKSLATVFLKKVAGADKTGIKKGEKKKKQKKERGGDLQEGEGDEDGWEKVKGGVPLVKEKPKMFAKGTEINVPVVVKKLNEILQARGKKGTDRAAQIELLHALAVIAAENNLGQGILVKIKFNIIASLYDYNPNLAAFMKADMWKKCLDCIDELLDILFEHNDIFIGENIAEDSENLIISDQPFRVRGCVLTLVERMDEEFTKIMQNTDPHSQEYVDNLKDEGRVCGIIDRLLSYLENKGSTEEICRVYLRRIMHTYYKFDYKAHRRSLGLQGETKSEQDQEESEGEDSAIIMDRLCKFIYAKDRTDRIRTCAILCHIYHHALHSRWYQARDLMLMSHLQDNIQHADPPVQILYNRTMVQLGICAFRQGMIKDAHNALLDIQSSGRAKELLGQGLLMRNMQERNAEQEKIEKRRQVPFHMHINLELLECVYLVSAMLLEIPYMAAHEFDARRRMISKQFHHQLRVGERQPLLGPPESMREHVVAASKAMKMGDWRTCHSFIINEKMNSKVWDLFPETQRVREMLVRKIQEESLRTYLFTYSSVYDSISMETLSEMFELEIPTVHSIISKMIINEELMASLDQPTQTVVMHRTEPTSLQNMALQLAEKLGSLVENNERIFDLKQGVYGGYFNRDQKGGYQQKQPYQRDQKGGYQQKQGGYQRGGYRNQNQSNY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	28.7	Very low	237 Å²	237	134.5 Å²	134.5	100%	1.167	77%	0.766	S	S	*	*				0	101.6	0	-60.6	170.9	-162.5	0	0	105.7
2	S	28.8	Very low	28.3	Very low	97 Å²	97	138.3 Å²	138.3	68%	0.678	77%	0.772	S	S	*	*				85.8	103.3	62.6	67.3	0	0	0	0	113.8
3	R	30.3	Very low	28.2	Very low	206 Å²	206	137.4 Å²	137.4	78%	0.777	78%	0.78	S	S	*	*			trans	77.6	149.4	134.8	-64.6	-160.9	150.6	119.9	-3.2	117.9
4	F	29.6	Very low	27.8	Very low	136 Å²	136	140.6 Å²	140.6	60%	0.596	79%	0.785	S	S	*	*			cis	-164.5	144.4	-8.2	-122.8	-161.5	0	0	0	110.4
5	F	32.4	Very low	27.7	Very low	165 Å²	165	144.1 Å²	144.1	72%	0.724	79%	0.794	S	S	*	*			trans	63	166.9	142.4	-78.4	-125.1	0	0	0	117.3	T7	F5-T7 HydrophobicContact CD1-CG2 4.5Å
6	A	31.6	Very low	27.4	Very low	76 Å²	76	142 Å²	142	63%	0.628	79%	0.792	S	S	*	*			cis	-142.6	140.3	10.6	0	0	0	0	0	113.7
7	T	26.8	Very low	27.2	Very low	128 Å²	128	140 Å²	140	79%	0.785	79%	0.79	S	S	*	*				42.7	134.1	129.2	63.2	0	0	0	0	121.5	F5	F5-T7 HydrophobicContact CD1-CG2 4.5Å
8	G	26.9	Very low	27.2	Very low	72 Å²	72	139.1 Å²	139.1	74%	0.742	79%	0.794	S	S	*	*			cis	148.2	175.8	-7.4	0	0	0	0	0	113.6
9	S	26	Very low	27.3	Very low	106 Å²	106	137.3 Å²	137.3	74%	0.741	80%	0.798	S	S	*	*			trans	66.1	146	150	-162	0	0	0	0	120.1
10	D	22.4	Very low	27.4	Very low	131 Å²	131	138.8 Å²	138.8	70%	0.701	80%	0.803	S	S	*	*			cis	-167.3	151.1	-33.6	-87.2	-44.6	0	0	0	106.5
11	S	26.7	Very low	27.5	Very low	126 Å²	126	140.8 Å²	140.8	88%	0.881	81%	0.805	S	S	*	*			trans	-164.8	118.6	152.7	-83.4	0	0	0	0	109.8
12	E	24.5	Very low	27.3	Very low	179 Å²	179	137.6 Å²	137.6	84%	0.836	79%	0.791	S	S	*	*			trans	-94.7	150.9	-175.2	-55.9	175.3	152.9	0	0	111.3
13	S	26.5	Very low	27.5	Very low	127 Å²	127	138.5 Å²	138.5	89%	0.888	79%	0.792	S	S	*	*			trans	-166.7	121.2	141.3	-79.9	0	0	0	0	110.1
14	E	23.4	Very low	27.5	Very low	182 Å²	182	134.7 Å²	134.7	85%	0.85	79%	0.794	S	S	*	*			trans	-57.1	145.4	178	-59.6	-82.6	115.8	0	0	113.5
15	E	25.1	Very low	27.4	Very low	194 Å²	194	138 Å²	138	91%	0.907	81%	0.809	S	S	*	*				-174.8	170.4	101	-98.5	-172.8	-177.2	0	0	111.4
16	S	23.8	Very low	27.2	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	81%	0.811	S	S	*	*			trans	-121.3	137.4	-159.2	178.7	0	0	0	0	114.4
17	S	24	Very low	27.2	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	82%	0.82	S	S	*	*				173.3	140.1	117.8	47.2	0	0	0	0	116.1
18	S	27.6	Very low	27.3	Very low	124 Å²	124	134.2 Å²	134.2	87%	0.867	82%	0.816	S	S	*	*			trans	50.2	83.2	138.7	-175.4	0	0	0	0	120.7
19	A	28.5	Very low	27.4	Very low	105 Å²	105	137.4 Å²	137.4	87%	0.868	82%	0.821	S	S	*	*			trans	-151.4	123.9	145.5	0	0	0	0	0	110.6
20	D	29.3	Very low	27.5	Very low	167 Å²	167	138 Å²	138	89%	0.893	82%	0.821	S	S	*	*			trans	-104.1	129.1	178.1	-143.2	-16.1	0	0	0	109.4	I22	D20-I22 PolarHBondContact O-N 2.9Å
21	E	28.8	Very low	27.8	Very low	180 Å²	180	141.4 Å²	141.4	84%	0.841	83%	0.83	S	S	*	*			trans	-81.5	116.2	-169.1	-70.6	-167.8	120.3	0	0	113.1	T23	E21-T23 PolarHBondContact O-N 3.08Å
22	I	31	Very low	28	Very low	171 Å²	171	144.3 Å²	144.3	88%	0.877	83%	0.826	S	S	*	*			trans	-86	100.5	171	-57.5	178.9	0	0	0	109.8	D20	D20-I22 PolarHBondContact O-N 2.9Å
23	T	31.4	Very low	28.3	Very low	115 Å²	115	144.8 Å²	144.8	71%	0.706	83%	0.829	S	S	*	*			trans	-73.3	146.5	169.9	44	0	0	0	0	112	E21	E21-T23 PolarHBondContact O-N 3.08Å
24	P	30.4	Very low	28.4	Very low	127 Å²	127	144.1 Å²	144.1	83%	0.825	82%	0.824	S	S	*	*			trans	-79.9	153.4	-162.8	31	-36.8	0	0	0	114.5
25	K	27.4	Very low	28.6	Very low	206 Å²	206	142.6 Å²	142.6	90%	0.896	82%	0.821	S	S	*	*			trans	-117.4	147.7	169.5	-83.5	-177.5	175.5	173.5	0	112.2
26	A	28.9	Very low	28.8	Very low	93 Å²	93	141.2 Å²	141.2	77%	0.769	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-68.5	154.2	-175.4	0	0	0	0	0	113.6
27	P	32.2	Very low	29	Very low	128 Å²	128	142.9 Å²	142.9	83%	0.831	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-72.1	135.8	-176.2	29	-35.5	0	0	0	113.1
28	G	27.4	Very low	28.9	Very low	68 Å²	68	143.2 Å²	143.2	70%	0.701	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-79.1	140.5	173.5	0	0	0	0	0	112.8	T30	G28-T30 PolarHBondContact O-N 3.46Å
29	T	29.4	Very low	29.1	Very low	138 Å²	138	145 Å²	145	85%	0.847	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-67	129.1	179.5	41.5	0	0	0	0	112
30	T	29.6	Very low	29.5	Very low	120 Å²	120	146.8 Å²	146.8	74%	0.736	82%	0.815	S	S	*	*			trans	-113	96.4	175.8	-54.3	0	0	0	0	109.7	G28 K32	G28-T30 PolarHBondContact O-N 3.46Å; T30-K32 PolarHBondContact O-N 3.22Å
31	F	28.3	Very low	29.8	Very low	202 Å²	202	147.9 Å²	147.9	89%	0.886	82%	0.815	S	S	*	*			trans	-66.3	122.9	169.5	-97.9	-92.6	0	0	0	109.8
32	K	30.3	Very low	30	Very low	186 Å²	186	147.8 Å²	147.8	81%	0.809	82%	0.815	S	S	*	*			trans	-100.7	115.2	167.8	-68	175.6	-179.1	170.3	0	107.9	T30	T30-K32 PolarHBondContact O-N 3.22Å
33	Q	31.6	Very low	30.4	Very low	190 Å²	190	147.8 Å²	147.8	89%	0.888	82%	0.817	S	S	*	*			trans	-70.7	141.7	162.4	-82.2	174.6	-58.8	0	0	109.4	L35	Q33-L35 PolarHBondContact O-N 3.13Å
34	S	27.3	Very low	30.7	Very low	112 Å²	112	147.9 Å²	147.9	78%	0.783	82%	0.817	S	S	*	*			trans	-73.5	118.1	172.5	-171.9	0	0	0	0	109.1	L36	S34-L36 PolarHBondContact O-N 2.85Å
35	L	28.7	Very low	31.2	Very low	151 Å²	151	151.2 Å²	151.2	79%	0.791	82%	0.819	S	S	*	*			trans	-83.9	96.9	166.2	-87.5	166.7	0	0	0	108.6	Q33 L37	Q33-L35 PolarHBondContact O-N 3.13Å; L35-L37 PolarHBondContact O-N 3.46Å
36	L	28.7	Very low	32.2	Very low	164 Å²	164	152.8 Å²	152.8	86%	0.859	82%	0.819	S	S	*	*			trans	-67.5	102.2	153.1	-79.3	164.9	0	0	0	107.2	S34 S38	S34-L36 PolarHBondContact O-N 2.85Å; L36-S38 PolarHBondContact O-N 2.89Å
37	L	27.6	Very low	33.2	Very low	145 Å²	145	153.8 Å²	153.8	76%	0.759	82%	0.816	S	S	*	*			trans	-84.1	99.3	166.3	-86.4	158.8	0	0	0	107.9	L35	L35-L37 PolarHBondContact O-N 3.46Å
38	S	23.4	Very low	34.3	Very low	115 Å²	115	154.2 Å²	154.2	80%	0.804	82%	0.815	S	S	*	*			trans	-75	118.4	155.9	-164.4	0	0	0	0	106.6	L36	L36-S38 PolarHBondContact O-N 2.89Å
39	D	31.2	Very low	36.2	Very low	161 Å²	161	156.8 Å²	156.8	86%	0.861	80%	0.804	S	S	*	*			trans	-103.9	76.1	-172.9	-167.1	32.3	0	0	0	109.4
40	D	37.3	Very low	38.5	Very low	143 Å²	143	152.6 Å²	152.6	77%	0.765	78%	0.78	S	S	*	*			trans	-157.2	77.3	176.1	-156.6	13.8	0	0	0	111.7
41	E	34.4	Very low	40.5	Very low	190 Å²	190	150.5 Å²	150.5	89%	0.888	78%	0.775	S	S	*	*			trans	-137.6	126.7	158.8	-81.5	-163.2	154.4	0	0	109.4
42	E	34.3	Very low	42.8	Very low	178 Å²	178	144.9 Å²	144.9	83%	0.832	75%	0.75	S	S	*	*			trans	-71.8	171.2	-174.8	-61.6	-174.3	117.6	0	0	114	T44	E42-T44 VanDerWaalsContact C-N 3.29Å; E42-T44 PolarHBondContact O-N 3.25Å
43	D	39.3	Very low	45.1	Very low	172 Å²	172	139.5 Å²	139.5	92%	0.92	73%	0.73	S	S	*	*			trans	-63.2	71.4	-174	-114.5	-40.4	0	0	0	114.5	K45	D43-K45 PolarHBondContact O-N 3.16Å
44	T	37.5	Very low	47.5	Very low	117 Å²	117	135.2 Å²	135.2	72%	0.718	71%	0.708	S	S	*	*			trans	-70.4	117.1	170.1	54.1	0	0	0	0	110.3	E42 R46	E42-T44 VanDerWaalsContact C-N 3.29Å; E42-T44 PolarHBondContact O-N 3.25Å; T44-R46 PolarHBondContact O-N 2.99Å
45	K	41.1	Very low	50	Low	197 Å²	197	134.2 Å²	134.2	86%	0.857	69%	0.688	S	S	*	*			trans	-55.5	109.1	-177.5	-70	175	-178.3	168.3	0	111	D43 V47	D43-K45 PolarHBondContact O-N 3.16Å; K45-V47 PolarHBondContact O-N 3.22Å
46	R	47.7	Very low	52.5	Low	239 Å²	239	128.7 Å²	128.7	90%	0.902	66%	0.657	S	S	*	*			trans	-64.6	92.9	-179.6	-69.9	-174.8	178.5	179	1.4	112.5	T44 V48	T44-R46 PolarHBondContact O-N 2.99Å; R46-V48 PolarHBondContact O-N 2.64Å
47	V	50.8	Low	55.1	Low	114 Å²	114	124.3 Å²	124.3	69%	0.691	63%	0.632	S	S	*	*			trans	-64.2	126.2	169.3	-179.5	0	0	0	0	109.6	K45 R49	K45-V47 PolarHBondContact O-N 3.22Å; V47-R49 HydrophobicContact CG1-CG 4.27Å; V47-R49 PolarHBondContact O-N 2.67Å
48	V	55.2	Low	57.8	Low	136 Å²	136	119.7 Å²	119.7	82%	0.824	61%	0.607	S	S	*	*			trans	-80.6	69.8	178.9	-170.7	0	0	0	0	110	R46	R46-V48 PolarHBondContact O-N 2.64Å
49	R	67.8	Low	60.7	Low	122 Å²	122	114.2 Å²	114.2	46%	0.46	57%	0.569	S	S	.	*			trans	-56.4	147.6	169.6	-67.6	-177.5	178.9	159.4	-3.3	110.7	V47 K54 E57	V47-R49 HydrophobicContact CG1-CG 4.27Å; V47-R49 PolarHBondContact O-N 2.67Å; R49-K54 HydrophobicContact CB-CD 4.46Å; R49-K54 HydrophobicContact CB-CG 4.08Å; R49-K54 WeakPolarHBondContact O-CE 3.39Å; R49-K54 PolarHBondContact O-NZ 2.87Å; R49-E57 IonicContact CZ-OE1 2.84Å; R49-E57 IonicContact CZ-OE2 2.65Å; R49-E57 IonicContact NH1-OE1 2.57Å; R49-E57 PolarHBondContact NH1-OE1 3.5Å; R49-E57 IonicContact NH1-OE2 2.73Å; R49-E57 PolarHBondContact NH1-OE2 3.13Å
50	S	77.5	Confident	63.2	Low	51 Å²	51	108.6 Å²	108.6	36%	0.357	54%	0.54	S	S	.	.			trans	-69.9	169.8	-176.1	94.4	0	0	0	0	112.2	K52 D53 K54	S50-K52 PolarHBondContact O-N 3.04Å; S50-K52 WeakPolarHBondContact OG-CB 3.44Å; S50-K52 PolarHBondContact OG-N 3.23Å; S50-K52 VanDerWaalsContact OG-N 3.11Å; S50-D53 WeakPolarHBondContact CA-OD2 3.28Å; S50-D53 WeakPolarHBondContact CB-OD2 3.48Å; S50-D53 PolarHBondContact N-OD2 3.31Å; S50-D53 PolarHBondContact OG-N 3.33Å; S50-D53 PolarHBondContact OG-OD1 3.13Å; S50-D53 PolarHBondContact OG-OD2 3.09Å; S50-K54 WeakPolarHBondContact O-CB 3.48Å; S50-K54 WeakPolarHBondContact O-CD 3.35Å; S50-K54 WeakPolarHBondContact O-CG 3.33Å; S50-K54 PolarHBondContact O-N 3.24Å
51	A	71.3	Confident	65.6	Low	75 Å²	75	105.3 Å²	105.3	62%	0.62	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.9	175.1	0	0	0	0	0	113.4	R55	A51-R55 WeakPolarHBondContact O-CG 3.19Å
52	K	76.4	Confident	68	Low	85 Å²	85	97.9 Å²	97.9	37%	0.37	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-60.5	173	168.6	-176.4	179	152.1	0	109.5	S50 K54 R55 F56 I95 E99	S50-K52 PolarHBondContact O-N 3.04Å; S50-K52 WeakPolarHBondContact OG-CB 3.44Å; S50-K52 PolarHBondContact OG-N 3.23Å; S50-K52 VanDerWaalsContact OG-N 3.11Å; K52-K54 VanDerWaalsContact C-N 3.3Å; K52-K54 PolarHBondContact O-N 3.23Å; K52-R55 PolarHBondContact O-N 3.27Å; K52-F56 HydrophobicContact CD-CE2 4.35Å; K52-F56 HydrophobicContact CG-CD2 3.75Å; K52-F56 HydrophobicContact CG-CE2 3.66Å; K52-F56 PolarHBondContact O-N 2.88Å; K52-I95 HydrophobicContact CB-CG2 4.48Å; K52-E99 WeakPolarHBondContact CD-OE1 3.38Å; K52-E99 WeakPolarHBondContact CD-OE2 3.47Å; K52-E99 WeakPolarHBondContact CE-OE1 3.09Å; K52-E99 WeakPolarHBondContact CE-OE2 3.28Å; K52-E99 IonicContact NZ-OE1 3.71Å; K52-E99 PolarHBondContact NZ-OE1 3.32Å; K52-E99 IonicContact NZ-OE2 2.78Å; K52-E99 PolarHBondContact NZ-OE2 3Å
53	D	78.4	Confident	70.4	Confident	72 Å²	72	90 Å²	90	39%	0.385	45%	0.451	S	S	.	.	H	α-helix	trans	-56.8	-45	-174	-21.9	-34.2	0	0	0	110.7	S50 R55 F56 E57	S50-D53 WeakPolarHBondContact CA-OD2 3.28Å; S50-D53 WeakPolarHBondContact CB-OD2 3.48Å; S50-D53 PolarHBondContact N-OD2 3.31Å; S50-D53 PolarHBondContact OG-N 3.33Å; S50-D53 PolarHBondContact OG-OD1 3.13Å; S50-D53 PolarHBondContact OG-OD2 3.09Å; D53-R55 PolarHBondContact O-N 3.25Å; D53-F56 PolarHBondContact O-N 2.95Å; D53-E57 WeakPolarHBondContact O-CB 3.42Å; D53-E57 PolarHBondContact O-N 3.28Å
54	K	81.6	Confident	72.6	Confident	100 Å²	100	88.3 Å²	88.3	44%	0.435	44%	0.435	S	S	.	.	H	α-helix	trans	-59.2	-28.3	176.6	-76.9	169	170.3	145.3	0	114.3	R49 S50 K52 E58	R49-K54 HydrophobicContact CB-CD 4.46Å; R49-K54 HydrophobicContact CB-CG 4.08Å; R49-K54 WeakPolarHBondContact O-CE 3.39Å; R49-K54 PolarHBondContact O-NZ 2.87Å; S50-K54 WeakPolarHBondContact O-CB 3.48Å; S50-K54 WeakPolarHBondContact O-CD 3.35Å; S50-K54 WeakPolarHBondContact O-CG 3.33Å; S50-K54 PolarHBondContact O-N 3.24Å; K52-K54 VanDerWaalsContact C-N 3.3Å; K52-K54 PolarHBondContact O-N 3.23Å; K54-E58 WeakPolarHBondContact O-CB 3.47Å; K54-E58 PolarHBondContact O-N 3.29Å
55	R	79.4	Confident	75	Confident	92 Å²	92	85.7 Å²	85.7	35%	0.347	42%	0.419	S	S	.	.	H	α-helix	trans	-89.6	-33.6	179.1	-67.7	-60.8	-175.1	-157.3	-7.8	112.4	A51 K52 D53 E58 L59	A51-R55 WeakPolarHBondContact O-CG 3.19Å; K52-R55 PolarHBondContact O-N 3.27Å; D53-R55 PolarHBondContact O-N 3.25Å; R55-E58 WeakPolarHBondContact CD-OE2 3.4Å; R55-E58 IonicContact CZ-OE2 3.98Å; R55-E58 IonicContact NE-OE2 2.72Å; R55-E58 IonicContact NH1-OE1 2.78Å; R55-E58 IonicContact NH1-OE2 2.88Å; R55-E58 PolarHBondContact NH1-OE2 3.21Å; R55-L59 WeakPolarHBondContact O-CB 3.32Å; R55-L59 WeakPolarHBondContact O-CG 3.4Å; R55-L59 PolarHBondContact O-N 3.42Å
56	F	80.9	Confident	77.1	Confident	34 Å²	34	76.3 Å²	76.3	15%	0.149	38%	0.378	C	S	.	.	H	α-helix	trans	-75.2	-29.1	171.3	-64.4	-32.2	0	0	0	112.2	K52 D53 L59 T60 V96 E99 P102 F104	K52-F56 HydrophobicContact CD-CE2 4.35Å; K52-F56 HydrophobicContact CG-CD2 3.75Å; K52-F56 HydrophobicContact CG-CE2 3.66Å; K52-F56 PolarHBondContact O-N 2.88Å; D53-F56 PolarHBondContact O-N 2.95Å; F56-L59 HydrophobicContact CD1-CD1 4.15Å; F56-T60 WeakPolarHBondContact O-CB 3.42Å; F56-T60 VanDerWaalsContact O-CG2 3.28Å; F56-T60 WeakPolarHBondContact O-CG2 3.3Å; F56-T60 PolarHBondContact O-N 2.85Å; F56-T60 PolarHBondContact O-OG1 2.74Å; F56-V96 HydrophobicContact CE1-CG2 4.47Å; F56-E99 WeakPolarHBondContact CE2-OE2 3.22Å; F56-P102 HydrophobicContact CD1-CG 4.3Å; F56-P102 HydrophobicContact CE1-CG 3.6Å; F56-P102 HydrophobicContact CZ-CG 3.95Å; F56-F104 HydrophobicContact CB-CZ 4.19Å; F56-F104 AromaticContact CD1-CZ 3.91Å; F56-F104 HydrophobicContact CD1-CZ 3.91Å; F56-F104 HydrophobicContact CG-CZ 4.14Å
57	E	84.6	Confident	78.9	Confident	72 Å²	72	69.2 Å²	69.2	34%	0.336	35%	0.352	S	S	.	.	H	α-helix	trans	-65.1	-46	166.8	-177.5	169.1	-151.2	0	0	111.6	R49 D53 L59 T60 N61	R49-E57 IonicContact CZ-OE1 2.84Å; R49-E57 IonicContact CZ-OE2 2.65Å; R49-E57 IonicContact NH1-OE1 2.57Å; R49-E57 PolarHBondContact NH1-OE1 3.5Å; R49-E57 IonicContact NH1-OE2 2.73Å; R49-E57 PolarHBondContact NH1-OE2 3.13Å; D53-E57 WeakPolarHBondContact O-CB 3.42Å; D53-E57 PolarHBondContact O-N 3.28Å; E57-L59 PolarHBondContact O-N 3.2Å; E57-T60 WeakPolarHBondContact CA-OG1 3.27Å; E57-T60 PolarHBondContact O-N 2.87Å; E57-T60 PolarHBondContact O-OG1 2.64Å; E57-N61 VanDerWaalsContact O-CB 3.31Å; E57-N61 WeakPolarHBondContact O-CB 3.31Å; E57-N61 PolarHBondContact O-N 3.04Å; E57-N61 PolarHBondContact O-ND2 3.15Å
58	E	84.3	Confident	80.6	Confident	48 Å²	48	68.1 Å²	68.1	22%	0.224	34%	0.342	C	S	.	.	H	α-helix	trans	-56.8	-48.2	172.7	-176.9	179.2	-162.6	0	0	111.2	K54 R55 F62 A88	K54-E58 WeakPolarHBondContact O-CB 3.47Å; K54-E58 PolarHBondContact O-N 3.29Å; R55-E58 WeakPolarHBondContact CD-OE2 3.4Å; R55-E58 IonicContact CZ-OE2 3.98Å; R55-E58 IonicContact NE-OE2 2.72Å; R55-E58 IonicContact NH1-OE1 2.78Å; R55-E58 IonicContact NH1-OE2 2.88Å; R55-E58 PolarHBondContact NH1-OE2 3.21Å; E58-F62 HydrophobicContact CG-CD2 4.22Å; E58-F62 HydrophobicContact CG-CE2 3.75Å; E58-F62 WeakPolarHBondContact O-CD2 3.26Å; E58-F62 PolarHBondContact O-N 2.91Å; E58-F62 VanDerWaalsContact O-N 3.15Å; E58-A88 HydrophobicContact CG-CB 4.46Å
59	L	83	Confident	81.9	Confident	1 Å²	1	62 Å²	62	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-67.6	-42.7	178.6	-74.5	167.4	0	0	0	113.6	R55 F56 E57 N61 F62 I63 L85 A88 F89 F104 Y105	R55-L59 WeakPolarHBondContact O-CB 3.32Å; R55-L59 WeakPolarHBondContact O-CG 3.4Å; R55-L59 PolarHBondContact O-N 3.42Å; F56-L59 HydrophobicContact CD1-CD1 4.15Å; E57-L59 PolarHBondContact O-N 3.2Å; L59-N61 VanDerWaalsContact C-N 3.33Å; L59-N61 PolarHBondContact O-N 3.12Å; L59-F62 PolarHBondContact O-N 3.3Å; L59-I63 WeakPolarHBondContact O-CD1 3.46Å; L59-I63 VanDerWaalsContact O-CG1 3.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.46Å; L59-L85 HydrophobicContact CD2-CG 4.43Å; L59-A88 HydrophobicContact CD2-CB 3.92Å; L59-F89 HydrophobicContact CD2-CB 4.42Å; L59-F104 HydrophobicContact CB-CE2 4.48Å; L59-Y105 HydrophobicContact CD2-CE2 4.45Å
60	T	83.9	Confident	82.5	Confident	42 Å²	42	57.2 Å²	57.2	26%	0.258	29%	0.289	S	S	.	.	H	α-helix	trans	-69.4	-30.6	178.9	51	0	0	0	0	112.4	F56 E57 I63 K64 F104	F56-T60 WeakPolarHBondContact O-CB 3.42Å; F56-T60 VanDerWaalsContact O-CG2 3.28Å; F56-T60 WeakPolarHBondContact O-CG2 3.3Å; F56-T60 PolarHBondContact O-N 2.85Å; F56-T60 PolarHBondContact O-OG1 2.74Å; E57-T60 WeakPolarHBondContact CA-OG1 3.27Å; E57-T60 PolarHBondContact O-N 2.87Å; E57-T60 PolarHBondContact O-OG1 2.64Å; T60-I63 PolarHBondContact O-N 2.92Å; T60-K64 WeakPolarHBondContact O-CG 3.22Å; T60-K64 PolarHBondContact O-N 3.42Å; T60-F104 HydrophobicContact CG2-CD2 4.23Å; T60-F104 HydrophobicContact CG2-CE1 4.44Å; T60-F104 HydrophobicContact CG2-CE2 4.05Å; T60-F104 HydrophobicContact CG2-CZ 4.16Å
61	N	87.7	Confident	82.8	Confident	74 Å²	74	63.3 Å²	63.3	40%	0.396	31%	0.309	S	S	.	.	H	α-helix	trans	-68.1	-41.8	170.9	-71.4	-25.3	0	0	0	111.7	E57 L59 I63 K64 T65	E57-N61 VanDerWaalsContact O-CB 3.31Å; E57-N61 WeakPolarHBondContact O-CB 3.31Å; E57-N61 PolarHBondContact O-N 3.04Å; E57-N61 PolarHBondContact O-ND2 3.15Å; L59-N61 VanDerWaalsContact C-N 3.33Å; L59-N61 PolarHBondContact O-N 3.12Å; N61-I63 VanDerWaalsContact C-N 3.32Å; N61-I63 PolarHBondContact O-N 3.42Å; N61-K64 PolarHBondContact O-N 3.18Å; N61-T65 PolarHBondContact O-N 2.94Å; N61-T65 PolarHBondContact O-OG1 3.01Å; N61-T65 VanDerWaalsContact O-OG1 3.1Å
62	F	84.8	Confident	83.3	Confident	35 Å²	35	65.2 Å²	65.2	15%	0.154	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-40.8	169.4	-74.2	-58	0	0	0	112.3	E58 L59 K64 T65 I66 E81 Q84 L85 A88	E58-F62 HydrophobicContact CG-CD2 4.22Å; E58-F62 HydrophobicContact CG-CE2 3.75Å; E58-F62 WeakPolarHBondContact O-CD2 3.26Å; E58-F62 PolarHBondContact O-N 2.91Å; E58-F62 VanDerWaalsContact O-N 3.15Å; L59-F62 PolarHBondContact O-N 3.3Å; F62-K64 PolarHBondContact O-N 3.42Å; F62-T65 PolarHBondContact O-N 3.37Å; F62-I66 VanDerWaalsContact O-CG1 3.28Å; F62-I66 WeakPolarHBondContact O-CG1 3.39Å; F62-I66 PolarHBondContact O-N 3.33Å; F62-E81 VanDerWaalsContact CD1-OE2 3.27Å; F62-E81 WeakPolarHBondContact CD1-OE2 3.44Å; F62-Q84 HydrophobicContact CD1-CB 4.32Å; F62-Q84 HydrophobicContact CE1-CB 3.73Å; F62-Q84 HydrophobicContact CZ-CB 3.99Å; F62-L85 HydrophobicContact CB-CB 4.25Å; F62-L85 HydrophobicContact CB-CD1 4.29Å; F62-A88 HydrophobicContact CD2-CB 4.12Å; F62-A88 HydrophobicContact CE2-CB 3.91Å
63	I	85.3	Confident	83.2	Confident	11 Å²	11	68.6 Å²	68.6	6%	0.056	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-42.9	175.7	-68.7	158.9	0	0	0	111.7	L59 T60 N61 I66 R67 L85 F104 L108	L59-I63 WeakPolarHBondContact O-CD1 3.46Å; L59-I63 VanDerWaalsContact O-CG1 3.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.46Å; T60-I63 PolarHBondContact O-N 2.92Å; N61-I63 VanDerWaalsContact C-N 3.32Å; N61-I63 PolarHBondContact O-N 3.42Å; I63-I66 PolarHBondContact O-N 2.98Å; I63-R67 WeakPolarHBondContact O-CB 3.47Å; I63-R67 WeakPolarHBondContact O-CG 3.24Å; I63-R67 PolarHBondContact O-N 2.9Å; I63-L85 HydrophobicContact CG1-CD1 4.18Å; I63-F104 HydrophobicContact CD1-CD2 3.46Å; I63-F104 VanDerWaalsContact CD1-CD2 3.46Å; I63-F104 HydrophobicContact CD1-CE2 3.9Å; I63-L108 HydrophobicContact CB-CD2 4.25Å; I63-L108 HydrophobicContact CG1-CB 4.34Å; I63-L108 HydrophobicContact CG1-CD2 3.62Å; I63-L108 HydrophobicContact CG2-CB 4.44Å; I63-L108 HydrophobicContact CG2-CD1 4.5Å; I63-L108 HydrophobicContact CG2-CD2 4.38Å
64	K	86.3	Confident	83.5	Confident	137 Å²	137	66.6 Å²	66.6	60%	0.596	31%	0.307	S	S	*	.	H	α-helix	trans	-61.2	-46	174.4	-72	167	-175.4	172.6	0	111.4	T60 N61 F62 R67 N68	T60-K64 WeakPolarHBondContact O-CG 3.22Å; T60-K64 PolarHBondContact O-N 3.42Å; N61-K64 PolarHBondContact O-N 3.18Å; F62-K64 PolarHBondContact O-N 3.42Å; K64-R67 PolarHBondContact O-N 3.09Å; K64-N68 PolarHBondContact O-N 2.88Å
65	T	86.8	Confident	83.5	Confident	62 Å²	62	62 Å²	62	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-43.7	178.1	-55.6	0	0	0	0	112.1	N61 F62 N68 A69 E81	N61-T65 PolarHBondContact O-N 2.94Å; N61-T65 PolarHBondContact O-OG1 3.01Å; N61-T65 VanDerWaalsContact O-OG1 3.1Å; F62-T65 PolarHBondContact O-N 3.37Å; T65-N68 WeakPolarHBondContact O-CB 3.4Å; T65-N68 PolarHBondContact O-N 2.64Å; T65-A69 PolarHBondContact O-N 3.12Å; T65-E81 HydrophobicContact CG2-CG 3.92Å
66	I	85.9	Confident	83.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-44.5	176.4	-67.7	164.7	0	0	0	110.8	F62 I63 N68 A69 M70 E81 L85 L108 L112	F62-I66 VanDerWaalsContact O-CG1 3.28Å; F62-I66 WeakPolarHBondContact O-CG1 3.39Å; F62-I66 PolarHBondContact O-N 3.33Å; I63-I66 PolarHBondContact O-N 2.98Å; I66-N68 VanDerWaalsContact C-N 3.27Å; I66-N68 PolarHBondContact O-N 3.17Å; I66-A69 PolarHBondContact O-N 2.93Å; I66-M70 HydrophobicContact CG2-CE 4.45Å; I66-M70 WeakPolarHBondContact O-CG 3.41Å; I66-M70 PolarHBondContact O-N 3.25Å; I66-E81 HydrophobicContact CD1-CB 4.13Å; I66-E81 HydrophobicContact CG1-CB 3.52Å; I66-L85 HydrophobicContact CD1-CB 4.25Å; I66-L85 HydrophobicContact CD1-CD1 3.73Å; I66-L108 HydrophobicContact CB-CD2 4.43Å; I66-L108 HydrophobicContact CD1-CD2 3.85Å; I66-L108 HydrophobicContact CG2-CD1 3.97Å; I66-L108 HydrophobicContact CG2-CD2 4.32Å; I66-L112 HydrophobicContact CG2-CD1 4.24Å; I66-L112 HydrophobicContact CG2-CD2 3.89Å; I66-L112 HydrophobicContact CG2-CG 4.36Å
67	R	84.9	Confident	84	Confident	90 Å²	90	64 Å²	64	34%	0.34	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-34.4	175.1	-77.8	176.5	165.1	-177.3	-7.2	112.4	I63 K64 M70 K71 L108 D111	I63-R67 WeakPolarHBondContact O-CB 3.47Å; I63-R67 WeakPolarHBondContact O-CG 3.24Å; I63-R67 PolarHBondContact O-N 2.9Å; K64-R67 PolarHBondContact O-N 3.09Å; R67-M70 HydrophobicContact CB-CE 4.4Å; R67-M70 HydrophobicContact CG-CE 3.81Å; R67-K71 WeakPolarHBondContact O-CG 3.1Å; R67-K71 PolarHBondContact O-N 3.26Å; R67-K71 VanDerWaalsContact O-N 3.17Å; R67-L108 HydrophobicContact CG-CD1 4.37Å; R67-D111 IonicContact CZ-OD2 2.73Å; R67-D111 IonicContact NE-OD2 3.75Å; R67-D111 PolarHBondContact NE-OD2 3.27Å; R67-D111 VanDerWaalsContact NE-OD2 3.15Å; R67-D111 IonicContact NH2-OD2 3.93Å; R67-D111 PolarHBondContact NH2-OD2 3.39Å
68	N	87.4	Confident	84	Confident	92 Å²	92	60.7 Å²	60.7	49%	0.492	29%	0.29	S	S	.	.	H	α-helix	trans	-69.3	-45.1	172.5	-164.2	15.4	0	0	0	112.1	K64 T65 I66 M70 K71 I72	K64-N68 PolarHBondContact O-N 2.88Å; T65-N68 WeakPolarHBondContact O-CB 3.4Å; T65-N68 PolarHBondContact O-N 2.64Å; I66-N68 VanDerWaalsContact C-N 3.27Å; I66-N68 PolarHBondContact O-N 3.17Å; N68-M70 VanDerWaalsContact C-N 3.28Å; N68-M70 PolarHBondContact O-N 3.37Å; N68-K71 WeakPolarHBondContact O-CB 3.47Å; N68-K71 PolarHBondContact O-N 2.99Å; N68-K71 VanDerWaalsContact O-N 3.1Å; N68-I72 WeakPolarHBondContact O-CG1 3.48Å; N68-I72 PolarHBondContact O-N 3.11Å; N68-I72 WeakPolarHBondContact OD1-CD1 3.45Å
69	A	82.8	Confident	84.1	Confident	7 Å²	7	59.6 Å²	59.6	6%	0.058	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-33.8	176.2	0	0	0	0	0	112.7	T65 I66 I72 R73 D74 K77 C78	T65-A69 PolarHBondContact O-N 3.12Å; I66-A69 PolarHBondContact O-N 2.93Å; A69-I72 PolarHBondContact O-N 3.2Å; A69-R73 PolarHBondContact O-N 3.24Å; A69-D74 PolarHBondContact O-N 3.16Å; A69-K77 HydrophobicContact CB-CB 4.23Å; A69-C78 WeakPolarHBondContact CB-SG 3.18Å
70	M	79.6	Confident	84.4	Confident	21 Å²	21	65.1 Å²	65.1	10%	0.103	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-48.1	169.4	-70.3	-165.2	-69.3	0	0	111.9	I66 R67 N68 I72 R73 L108 D111 L112 Y115	I66-M70 HydrophobicContact CG2-CE 4.45Å; I66-M70 WeakPolarHBondContact O-CG 3.41Å; I66-M70 PolarHBondContact O-N 3.25Å; R67-M70 HydrophobicContact CB-CE 4.4Å; R67-M70 HydrophobicContact CG-CE 3.81Å; N68-M70 VanDerWaalsContact C-N 3.28Å; N68-M70 PolarHBondContact O-N 3.37Å; M70-I72 VanDerWaalsContact C-N 3.3Å; M70-I72 PolarHBondContact O-N 2.88Å; M70-R73 PolarHBondContact O-N 3.11Å; M70-R73 VanDerWaalsContact O-N 3.1Å; M70-L108 HydrophobicContact CE-CD1 4.13Å; M70-D111 HydrophobicContact CE-CB 4.3Å; M70-L112 HydrophobicContact CE-CD2 4.49Å; M70-L112 HydrophobicContact CG-CD2 4.31Å; M70-L112 HydrophobicContact SD-CD2 3.62Å; M70-L112 HydrophobicContact SD-CG 4.25Å; M70-Y115 HydrophobicContact CB-CD1 4.36Å; M70-Y115 HydrophobicContact CB-CE1 3.94Å; M70-Y115 HydrophobicContact CG-CD1 3.83Å; M70-Y115 HydrophobicContact CG-CE1 3.71Å; M70-Y115 PolarHBondContact O-OH 3.06Å; M70-Y115 HydrophobicContact SD-CD1 3.66Å; M70-Y115 HydrophobicContact SD-CE1 4.18Å; M70-Y115 HydrophobicContact SD-CG 4.02Å
71	K	83.6	Confident	84.5	Confident	180 Å²	180	64.8 Å²	64.8	78%	0.783	31%	0.307	S	S	*	.	H	α-helix	trans	-57.6	-41.9	175.6	-71.8	178.2	179.3	-175.1	0	112.4	R67 N68 R73	R67-K71 WeakPolarHBondContact O-CG 3.1Å; R67-K71 PolarHBondContact O-N 3.26Å; R67-K71 VanDerWaalsContact O-N 3.17Å; N68-K71 WeakPolarHBondContact O-CB 3.47Å; N68-K71 PolarHBondContact O-N 2.99Å; N68-K71 VanDerWaalsContact O-N 3.1Å; K71-R73 VanDerWaalsContact C-N 3.29Å; K71-R73 PolarHBondContact O-N 3.25Å
72	I	82.4	Confident	84.4	Confident	114 Å²	114	61.6 Å²	61.6	59%	0.585	29%	0.289	S	S	*	.	H	α-helix	trans	-78.5	-10.5	-179.3	-63.2	168.2	0	0	0	112.5	N68 A69 M70 D74	N68-I72 WeakPolarHBondContact O-CG1 3.48Å; N68-I72 PolarHBondContact O-N 3.11Å; N68-I72 WeakPolarHBondContact OD1-CD1 3.45Å; A69-I72 PolarHBondContact O-N 3.2Å; M70-I72 VanDerWaalsContact C-N 3.3Å; M70-I72 PolarHBondContact O-N 2.88Å; I72-D74 HydrophobicContact CG2-CB 4.33Å; I72-D74 PolarHBondContact O-N 3.44Å
73	R	74.3	Confident	84.5	Confident	157 Å²	157	62.8 Å²	62.8	59%	0.592	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	25	-173.8	-54.2	-176.8	169.9	-155.7	-7.7	114.2	A69 M70 K71 M75	A69-R73 PolarHBondContact O-N 3.24Å; M70-R73 PolarHBondContact O-N 3.11Å; M70-R73 VanDerWaalsContact O-N 3.1Å; K71-R73 VanDerWaalsContact C-N 3.29Å; K71-R73 PolarHBondContact O-N 3.25Å; R73-M75 PolarHBondContact O-N 3.03Å; R73-M75 VanDerWaalsContact O-N 3.08Å
74	D	84.5	Confident	84.6	Confident	29 Å²	29	65.8 Å²	65.8	16%	0.155	31%	0.309	C	S	.	.			trans	-83.1	83.7	175.6	-169.1	-19.4	0	0	0	111.2	A69 I72 S76 K77 C78	A69-D74 PolarHBondContact O-N 3.16Å; I72-D74 HydrophobicContact CG2-CB 4.33Å; I72-D74 PolarHBondContact O-N 3.44Å; D74-S76 PolarHBondContact O-N 2.82Å; D74-S76 WeakPolarHBondContact OD1-CB 3.48Å; D74-S76 PolarHBondContact OD1-N 3.45Å; D74-S76 VanDerWaalsContact OD1-N 3.09Å; D74-K77 HydrophobicContact CB-CB 4.35Å; D74-K77 PolarHBondContact O-N 3.1Å; D74-K77 PolarHBondContact OD1-N 2.92Å; D74-K77 VanDerWaalsContact OD1-N 3.1Å; D74-K77 VanDerWaalsContact OD2-CD 3.3Å; D74-K77 WeakPolarHBondContact OD2-CD 3.48Å; D74-K77 WeakPolarHBondContact OD2-CE 3.49Å; D74-K77 WeakPolarHBondContact OD2-CG 3.08Å; D74-K77 IonicContact OD2-NZ 3.74Å; D74-K77 PolarHBondContact OD2-NZ 3.26Å; D74-C78 PolarHBondContact O-N 3.49Å; D74-C78 PolarHBondContact O-SG 2.95Å; D74-C78 VanDerWaalsContact O-SG 3.39Å
75	M	81.7	Confident	84.6	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-17.7	-179.3	-162.6	57.3	60.6	0	0	113.9	R73 C78 L79 Y115 L116 L119 N133 A136 L137 L140	R73-M75 PolarHBondContact O-N 3.03Å; R73-M75 VanDerWaalsContact O-N 3.08Å; M75-C78 HydrophobicContact SD-CB 4.11Å; M75-L79 PolarHBondContact O-N 3.27Å; M75-Y115 HydrophobicContact CE-CE1 3.96Å; M75-L116 HydrophobicContact CE-CD2 3.71Å; M75-L116 HydrophobicContact SD-CD2 3.76Å; M75-L119 HydrophobicContact CE-CD1 3.6Å; M75-N133 HydrophobicContact CB-CB 4.17Å; M75-A136 HydrophobicContact CB-CB 4.49Å; M75-A136 HydrophobicContact CG-CB 4.2Å; M75-A136 WeakPolarHBondContact O-CB 3.38Å; M75-L137 HydrophobicContact CE-CD1 3.97Å; M75-L137 HydrophobicContact CE-CG 4.03Å; M75-L137 VanDerWaalsContact CG-CA 3.47Å; M75-L137 HydrophobicContact CG-CB 3.65Å; M75-L137 HydrophobicContact CG-CD1 4.41Å; M75-L137 HydrophobicContact CG-CG 3.97Å; M75-L137 HydrophobicContact SD-CB 4.43Å; M75-L137 HydrophobicContact SD-CG 4.17Å; M75-L140 HydrophobicContact SD-CD2 3.7Å
76	S	84.9	Confident	84.3	Confident	55 Å²	55	57.3 Å²	57.3	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-73.4	-45.8	174.9	-160.9	0	0	0	0	110.1	D74 L79 E80	D74-S76 PolarHBondContact O-N 2.82Å; D74-S76 WeakPolarHBondContact OD1-CB 3.48Å; D74-S76 PolarHBondContact OD1-N 3.45Å; D74-S76 VanDerWaalsContact OD1-N 3.09Å; S76-L79 PolarHBondContact O-N 2.85Å; S76-E80 PolarHBondContact O-N 3.39Å
77	K	85.3	Confident	84.3	Confident	115 Å²	115	64.2 Å²	64.2	50%	0.5	30%	0.295	S	S	.	.	H	α-helix	trans	-65.7	-42.3	173.5	-68.4	-174.3	-172.3	112.1	0	112.1	A69 D74 L79 E80 E81	A69-K77 HydrophobicContact CB-CB 4.23Å; D74-K77 HydrophobicContact CB-CB 4.35Å; D74-K77 PolarHBondContact O-N 3.1Å; D74-K77 PolarHBondContact OD1-N 2.92Å; D74-K77 VanDerWaalsContact OD1-N 3.1Å; D74-K77 VanDerWaalsContact OD2-CD 3.3Å; D74-K77 WeakPolarHBondContact OD2-CD 3.48Å; D74-K77 WeakPolarHBondContact OD2-CE 3.49Å; D74-K77 WeakPolarHBondContact OD2-CG 3.08Å; D74-K77 IonicContact OD2-NZ 3.74Å; D74-K77 PolarHBondContact OD2-NZ 3.26Å; K77-L79 PolarHBondContact O-N 3.24Å; K77-L79 VanDerWaalsContact O-N 3.16Å; K77-E80 PolarHBondContact O-N 3.18Å; K77-E80 VanDerWaalsContact O-N 3.14Å; K77-E81 WeakPolarHBondContact O-CB 2.95Å; K77-E81 VanDerWaalsContact O-CG 3.3Å; K77-E81 WeakPolarHBondContact O-CG 3.33Å; K77-E81 PolarHBondContact O-N 3.24Å
78	C	84.8	Confident	84.2	Confident	2 Å²	2	60 Å²	60	1%	0.014	28%	0.28	C	S	.	.	H	α-helix	trans	-54	-37.2	174.3	-68.2	0	0	0	0	113	A69 D74 M75 F82 L140	A69-C78 WeakPolarHBondContact CB-SG 3.18Å; D74-C78 PolarHBondContact O-N 3.49Å; D74-C78 PolarHBondContact O-SG 2.95Å; D74-C78 VanDerWaalsContact O-SG 3.39Å; M75-C78 HydrophobicContact SD-CB 4.11Å; C78-F82 WeakPolarHBondContact O-CB 3.38Å; C78-F82 PolarHBondContact O-N 3.38Å; C78-F82 VanDerWaalsContact O-N 3.09Å; C78-L140 HydrophobicContact CB-CD2 3.9Å
79	L	85.4	Confident	83.9	Confident	25 Å²	25	56.4 Å²	56.4	13%	0.131	26%	0.26	C	S	.	.	H	α-helix	trans	-72.5	-41.9	178.1	174.7	60.1	0	0	0	112.7	M75 S76 K77 E83 A136 T139 L140 K143	M75-L79 PolarHBondContact O-N 3.27Å; S76-L79 PolarHBondContact O-N 2.85Å; K77-L79 PolarHBondContact O-N 3.24Å; K77-L79 VanDerWaalsContact O-N 3.16Å; L79-E83 PolarHBondContact O-N 3.2Å; L79-E83 VanDerWaalsContact O-N 3.17Å; L79-A136 HydrophobicContact CB-CB 4.44Å; L79-A136 HydrophobicContact CD2-CB 3.97Å; L79-T139 HydrophobicContact CD1-CG2 4.27Å; L79-T139 HydrophobicContact CD2-CG2 4.07Å; L79-L140 HydrophobicContact CB-CB 4.45Å; L79-L140 HydrophobicContact CD1-CB 4.08Å; L79-L140 HydrophobicContact CD1-CD1 3.92Å; L79-K143 HydrophobicContact CD1-CD 4.05Å
80	E	89.3	Confident	83.8	Confident	117 Å²	117	61.9 Å²	61.9	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-68.1	-48.3	177.9	-177.3	165.7	-168.9	0	0	111.7	S76 K77 F82 E83 Q84	S76-E80 PolarHBondContact O-N 3.39Å; K77-E80 PolarHBondContact O-N 3.18Å; K77-E80 VanDerWaalsContact O-N 3.14Å; E80-F82 VanDerWaalsContact C-N 3.32Å; E80-F82 PolarHBondContact O-N 3.47Å; E80-E83 WeakPolarHBondContact O-CA 3.33Å; E80-E83 WeakPolarHBondContact O-CB 3.35Å; E80-E83 PolarHBondContact O-N 2.83Å; E80-Q84 WeakPolarHBondContact O-CG 3.46Å; E80-Q84 PolarHBondContact O-N 2.75Å
81	E	86.9	Confident	83.8	Confident	35 Å²	35	66.9 Å²	66.9	16%	0.164	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-36.5	177.8	-64	-63.2	164.2	0	0	111.9	F62 T65 I66 K77 E83 Q84 L85	F62-E81 VanDerWaalsContact CD1-OE2 3.27Å; F62-E81 WeakPolarHBondContact CD1-OE2 3.44Å; T65-E81 HydrophobicContact CG2-CG 3.92Å; I66-E81 HydrophobicContact CD1-CB 4.13Å; I66-E81 HydrophobicContact CG1-CB 3.52Å; K77-E81 WeakPolarHBondContact O-CB 2.95Å; K77-E81 VanDerWaalsContact O-CG 3.3Å; K77-E81 WeakPolarHBondContact O-CG 3.33Å; K77-E81 PolarHBondContact O-N 3.24Å; E81-E83 VanDerWaalsContact C-N 3.34Å; E81-E83 PolarHBondContact O-N 2.82Å; E81-Q84 PolarHBondContact O-N 3.05Å; E81-L85 VanDerWaalsContact O-CB 3.24Å; E81-L85 WeakPolarHBondContact O-CB 3.47Å; E81-L85 PolarHBondContact O-N 2.69Å
82	F	86.3	Confident	83.3	Confident	7 Å²	7	58.3 Å²	58.3	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-37.7	172	-177.5	-98.7	0	0	0	112.2	C78 E80 L85 C86 L109 L112 L140 K143 I144 Y147	C78-F82 WeakPolarHBondContact O-CB 3.38Å; C78-F82 PolarHBondContact O-N 3.38Å; C78-F82 VanDerWaalsContact O-N 3.09Å; E80-F82 VanDerWaalsContact C-N 3.32Å; E80-F82 PolarHBondContact O-N 3.47Å; F82-L85 HydrophobicContact CD2-CD2 4.36Å; F82-L85 HydrophobicContact CE2-CD2 4.48Å; F82-C86 WeakPolarHBondContact O-CB 3.25Å; F82-C86 PolarHBondContact O-N 3.23Å; F82-C86 PolarHBondContact O-SG 2.91Å; F82-C86 VanDerWaalsContact O-SG 3.35Å; F82-L109 HydrophobicContact CE2-CD2 3.97Å; F82-L112 HydrophobicContact CD2-CD1 4.08Å; F82-L112 HydrophobicContact CE2-CD1 4.47Å; F82-L140 HydrophobicContact CB-CD1 3.89Å; F82-L140 HydrophobicContact CD1-CD1 3.7Å; F82-L140 HydrophobicContact CE1-CD1 4.44Å; F82-L140 HydrophobicContact CG-CD1 3.8Å; F82-K143 HydrophobicContact CE1-CB 4.42Å; F82-I144 HydrophobicContact CD1-CG1 4.42Å; F82-I144 HydrophobicContact CD2-CD1 4.15Å; F82-I144 HydrophobicContact CD2-CG1 4.35Å; F82-I144 HydrophobicContact CE1-CG1 3.93Å; F82-I144 HydrophobicContact CE2-CD1 4Å; F82-I144 HydrophobicContact CE2-CG1 3.86Å; F82-I144 HydrophobicContact CZ-CD1 4.3Å; F82-I144 HydrophobicContact CZ-CG1 3.64Å; F82-Y147 HydrophobicContact CZ-CD1 4.02Å; F82-Y147 HydrophobicContact CZ-CG 4.28Å
83	E	86.9	Confident	82.8	Confident	60 Å²	60	57.6 Å²	57.6	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-67.9	-37	172.2	-77.2	-165.8	-144.6	0	0	113.1	L79 E80 E81 R87 K143	L79-E83 PolarHBondContact O-N 3.2Å; L79-E83 VanDerWaalsContact O-N 3.17Å; E80-E83 WeakPolarHBondContact O-CA 3.33Å; E80-E83 WeakPolarHBondContact O-CB 3.35Å; E80-E83 PolarHBondContact O-N 2.83Å; E81-E83 VanDerWaalsContact C-N 3.34Å; E81-E83 PolarHBondContact O-N 2.82Å; E83-R87 WeakPolarHBondContact O-CG 3.32Å; E83-R87 PolarHBondContact O-N 3.3Å; E83-R87 VanDerWaalsContact O-N 3.08Å; E83-R87 IonicContact OE2-CZ 3.87Å; E83-R87 IonicContact OE2-NH2 3.63Å; E83-R87 PolarHBondContact OE2-NH2 2.78Å; E83-K143 VanDerWaalsContact CD-NZ 3.35Å; E83-K143 IonicContact OE1-NZ 3.76Å; E83-K143 PolarHBondContact OE1-NZ 3.28Å
84	Q	86.6	Confident	82.8	Confident	73 Å²	73	56 Å²	56	34%	0.341	27%	0.267	S	S	.	.	H	α-helix	trans	-67.2	-44.7	175.3	-66.4	-165.5	55	0	0	111.3	F62 E80 E81 C86 R87 A88	F62-Q84 HydrophobicContact CD1-CB 4.32Å; F62-Q84 HydrophobicContact CE1-CB 3.73Å; F62-Q84 HydrophobicContact CZ-CB 3.99Å; E80-Q84 WeakPolarHBondContact O-CG 3.46Å; E80-Q84 PolarHBondContact O-N 2.75Å; E81-Q84 PolarHBondContact O-N 3.05Å; Q84-C86 PolarHBondContact O-N 2.88Å; Q84-R87 CarbonylContact O-C 3.58Å; Q84-R87 WeakPolarHBondContact O-CA 3.34Å; Q84-R87 WeakPolarHBondContact O-CB 3.48Å; Q84-R87 PolarHBondContact O-N 3.31Å; Q84-R87 VanDerWaalsContact O-N 3.09Å; Q84-A88 PolarHBondContact O-N 3.41Å
85	L	85.6	Confident	82.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-44.4	173.4	171.5	145	0	0	0	112.1	L59 F62 I63 I66 E81 F82 R87 A88 F89 Y105 L108	L59-L85 HydrophobicContact CD2-CG 4.43Å; F62-L85 HydrophobicContact CB-CB 4.25Å; F62-L85 HydrophobicContact CB-CD1 4.29Å; I63-L85 HydrophobicContact CG1-CD1 4.18Å; I66-L85 HydrophobicContact CD1-CB 4.25Å; I66-L85 HydrophobicContact CD1-CD1 3.73Å; E81-L85 VanDerWaalsContact O-CB 3.24Å; E81-L85 WeakPolarHBondContact O-CB 3.47Å; E81-L85 PolarHBondContact O-N 2.69Å; F82-L85 HydrophobicContact CD2-CD2 4.36Å; F82-L85 HydrophobicContact CE2-CD2 4.48Å; L85-R87 VanDerWaalsContact C-N 3.33Å; L85-R87 PolarHBondContact O-N 2.77Å; L85-A88 PolarHBondContact O-N 3.3Å; L85-F89 WeakPolarHBondContact O-CB 3.22Å; L85-F89 PolarHBondContact O-N 3.43Å; L85-Y105 HydrophobicContact CD1-CE2 4.24Å; L85-Y105 HydrophobicContact CD2-CE2 3.57Å; L85-Y105 WeakPolarHBondContact CD2-OH 3.48Å; L85-Y105 HydrophobicContact CG-CE2 3.97Å; L85-L108 HydrophobicContact CD1-CD2 3.68Å
86	C	82.1	Confident	81.5	Confident	21 Å²	21	56.8 Å²	56.8	14%	0.142	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-37	174	-76.4	0	0	0	0	112.4	F82 Q84 L90	F82-C86 WeakPolarHBondContact O-CB 3.25Å; F82-C86 PolarHBondContact O-N 3.23Å; F82-C86 PolarHBondContact O-SG 2.91Å; F82-C86 VanDerWaalsContact O-SG 3.35Å; Q84-C86 PolarHBondContact O-N 2.88Å; C86-L90 VanDerWaalsContact O-CG 3.31Å; C86-L90 WeakPolarHBondContact O-CG 3.49Å; C86-L90 PolarHBondContact O-N 3.45Å; C86-L90 VanDerWaalsContact O-N 3.08Å
87	R	85.4	Confident	80.7	Confident	145 Å²	145	59.2 Å²	59.2	55%	0.547	28%	0.28	S	S	.	.	H	α-helix	trans	-72	-29.7	174.3	-66.9	168.9	-157.7	-171.2	9.8	112.6	E83 Q84 L85 K91	E83-R87 WeakPolarHBondContact O-CG 3.32Å; E83-R87 PolarHBondContact O-N 3.3Å; E83-R87 VanDerWaalsContact O-N 3.08Å; E83-R87 IonicContact OE2-CZ 3.87Å; E83-R87 IonicContact OE2-NH2 3.63Å; E83-R87 PolarHBondContact OE2-NH2 2.78Å; Q84-R87 CarbonylContact O-C 3.58Å; Q84-R87 WeakPolarHBondContact O-CA 3.34Å; Q84-R87 WeakPolarHBondContact O-CB 3.48Å; Q84-R87 PolarHBondContact O-N 3.31Å; Q84-R87 VanDerWaalsContact O-N 3.09Å; L85-R87 VanDerWaalsContact C-N 3.33Å; L85-R87 PolarHBondContact O-N 2.77Å; R87-K91 VanDerWaalsContact O-CG 3.32Å; R87-K91 WeakPolarHBondContact O-CG 3.46Å; R87-K91 PolarHBondContact O-N 2.57Å
88	A	83.6	Confident	80	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-71.3	-46.9	172.7	0	0	0	0	0	110.9	E58 L59 F62 Q84 L85 L90 K91 S92	E58-A88 HydrophobicContact CG-CB 4.46Å; L59-A88 HydrophobicContact CD2-CB 3.92Å; F62-A88 HydrophobicContact CD2-CB 4.12Å; F62-A88 HydrophobicContact CE2-CB 3.91Å; Q84-A88 PolarHBondContact O-N 3.41Å; L85-A88 PolarHBondContact O-N 3.3Å; A88-L90 VanDerWaalsContact C-N 3.32Å; A88-L90 PolarHBondContact O-N 2.96Å; A88-K91 CarbonylContact O-C 3.3Å; A88-K91 WeakPolarHBondContact O-CA 3.21Å; A88-K91 WeakPolarHBondContact O-CB 3.43Å; A88-K91 PolarHBondContact O-N 3.1Å; A88-S92 PolarHBondContact O-N 2.95Å; A88-S92 PolarHBondContact O-OG 2.93Å
89	F	80.3	Confident	79	Confident	17 Å²	17	66.9 Å²	66.9	8%	0.075	32%	0.315	C	S	.	.	H	α-helix	trans	-58.1	-41.6	176.7	-170.1	-97.4	0	0	0	112.3	L59 L85 K91 S92 K93 V96 Y105 F151	L59-F89 HydrophobicContact CD2-CB 4.42Å; L85-F89 WeakPolarHBondContact O-CB 3.22Å; L85-F89 PolarHBondContact O-N 3.43Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 3.21Å; F89-S92 WeakPolarHBondContact CA-OG 3.25Å; F89-S92 CarbonylContact O-C 3.58Å; F89-S92 PolarHBondContact O-N 3.43Å; F89-S92 PolarHBondContact O-OG 3.22Å; F89-S92 VanDerWaalsContact O-OG 3.04Å; F89-K93 PolarHBondContact O-N 3.01Å; F89-V96 HydrophobicContact CE2-CG1 4.16Å; F89-V96 HydrophobicContact CE2-CG2 4.15Å; F89-V96 HydrophobicContact CZ-CG1 3.96Å; F89-Y105 HydrophobicContact CB-CE2 4.31Å; F89-Y105 HydrophobicContact CD2-CD1 4.36Å; F89-Y105 HydrophobicContact CD2-CD2 4.1Å; F89-Y105 AromaticContact CD2-CE1 3.9Å; F89-Y105 HydrophobicContact CD2-CE1 3.9Å; F89-Y105 AromaticContact CD2-CE2 3.6Å; F89-Y105 HydrophobicContact CD2-CE2 3.6Å; F89-Y105 HydrophobicContact CD2-CG 4.45Å; F89-Y105 AromaticContact CD2-CZ 3.51Å; F89-Y105 AromaticContact CE2-CD1 3.97Å; F89-Y105 HydrophobicContact CE2-CD1 3.97Å; F89-Y105 HydrophobicContact CE2-CD2 4.4Å; F89-Y105 AromaticContact CE2-CE1 3.74Å; F89-Y105 HydrophobicContact CE2-CE1 3.74Å; F89-Y105 HydrophobicContact CE2-CE2 4.19Å; F89-Y105 HydrophobicContact CE2-CG 4.3Å; F89-Y105 AromaticContact CE2-CZ 3.87Å; F89-Y105 HydrophobicContact CG-CE1 4.4Å; F89-Y105 HydrophobicContact CG-CE2 4.14Å; F89-Y105 AromaticContact CG-CZ 3.81Å; F89-Y105 HydrophobicContact CZ-CE1 4.12Å; F89-F151 HydrophobicContact CE1-CZ 4.04Å; F89-F151 HydrophobicContact CZ-CE1 4.38Å; F89-F151 HydrophobicContact CZ-CZ 4.14Å
90	L	79.9	Confident	78.2	Confident	123 Å²	123	67.7 Å²	67.7	64%	0.644	33%	0.33	S	S	*	.	H	α-helix	trans	-64.1	-27.7	173.4	-73.7	170.6	0	0	0	113.8	C86 A88	C86-L90 VanDerWaalsContact O-CG 3.31Å; C86-L90 WeakPolarHBondContact O-CG 3.49Å; C86-L90 PolarHBondContact O-N 3.45Å; C86-L90 VanDerWaalsContact O-N 3.08Å; A88-L90 VanDerWaalsContact C-N 3.32Å; A88-L90 PolarHBondContact O-N 2.96Å
91	K	79.8	Confident	77.3	Confident	125 Å²	125	63.9 Å²	63.9	54%	0.543	31%	0.314	S	S	.	.	H	α-helix	trans	-80	-33.2	172.7	-64.6	164.3	-169.5	168.9	0	112.2	R87 A88 F89 K93	R87-K91 VanDerWaalsContact O-CG 3.32Å; R87-K91 WeakPolarHBondContact O-CG 3.46Å; R87-K91 PolarHBondContact O-N 2.57Å; A88-K91 CarbonylContact O-C 3.3Å; A88-K91 WeakPolarHBondContact O-CA 3.21Å; A88-K91 WeakPolarHBondContact O-CB 3.43Å; A88-K91 PolarHBondContact O-N 3.1Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 3.21Å; K91-K93 VanDerWaalsContact C-N 3.29Å
92	S	72.7	Confident	76.8	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.007	31%	0.312	C	S	.	.	H	α-helix	trans	-81.5	-6.7	176.1	63	0	0	0	0	113.3	A88 F89 N94 I95 V96	A88-S92 PolarHBondContact O-N 2.95Å; A88-S92 PolarHBondContact O-OG 2.93Å; F89-S92 WeakPolarHBondContact CA-OG 3.25Å; F89-S92 CarbonylContact O-C 3.58Å; F89-S92 PolarHBondContact O-N 3.43Å; F89-S92 PolarHBondContact O-OG 3.22Å; F89-S92 VanDerWaalsContact O-OG 3.04Å; S92-N94 VanDerWaalsContact C-N 3.28Å; S92-N94 PolarHBondContact O-N 3.02Å; S92-N94 VanDerWaalsContact O-N 3.16Å; S92-I95 WeakPolarHBondContact O-CA 2.99Å; S92-I95 WeakPolarHBondContact O-CB 3.49Å; S92-I95 PolarHBondContact O-N 3.49Å; S92-V96 PolarHBondContact O-N 3.33Å
93	K	72.6	Confident	76.2	Confident	98 Å²	98	68.5 Å²	68.5	43%	0.426	34%	0.338	S	S	.	.	H	α-helix	trans	-49.6	-43.7	-176.3	-178.3	163.6	-177.3	169.1	0	113.6	F89 K91 I95 V96 D97	F89-K93 PolarHBondContact O-N 3.01Å; K91-K93 VanDerWaalsContact C-N 3.29Å; K93-I95 PolarHBondContact O-N 3.3Å; K93-V96 PolarHBondContact O-N 2.91Å; K93-V96 VanDerWaalsContact O-N 3.14Å; K93-D97 VanDerWaalsContact CE-CG 3.45Å; K93-D97 WeakPolarHBondContact CE-OD1 3.32Å; K93-D97 WeakPolarHBondContact CE-OD2 3.22Å; K93-D97 WeakPolarHBondContact CG-OD1 3.26Å; K93-D97 VanDerWaalsContact CG-OD2 3.31Å; K93-D97 WeakPolarHBondContact CG-OD2 3.3Å; K93-D97 VanDerWaalsContact O-CB 3.3Å; K93-D97 WeakPolarHBondContact O-CB 3.49Å; K93-D97 PolarHBondContact O-N 3.44Å
94	N	73.9	Confident	75.9	Confident	124 Å²	124	67.7 Å²	67.7	66%	0.663	33%	0.333	S	S	*	.	H	α-helix	trans	-64.4	-7.4	178.1	-63	0.3	0	0	0	115	S92 K98	S92-N94 VanDerWaalsContact C-N 3.28Å; S92-N94 PolarHBondContact O-N 3.02Å; S92-N94 VanDerWaalsContact O-N 3.16Å; N94-K98 WeakPolarHBondContact O-CE 3.26Å
95	I	72.9	Confident	75.6	Confident	42 Å²	42	64.2 Å²	64.2	22%	0.215	32%	0.317	C	S	.	.	H	α-helix	trans	-105.2	-45.8	172.3	-58	88.8	0	0	0	109.4	K52 S92 K93 D97 K98 E99	K52-I95 HydrophobicContact CB-CG2 4.48Å; S92-I95 WeakPolarHBondContact O-CA 2.99Å; S92-I95 WeakPolarHBondContact O-CB 3.49Å; S92-I95 PolarHBondContact O-N 3.49Å; K93-I95 PolarHBondContact O-N 3.3Å; I95-D97 VanDerWaalsContact C-N 3.31Å; I95-D97 PolarHBondContact O-N 3.17Å; I95-K98 WeakPolarHBondContact O-CA 3.34Å; I95-K98 WeakPolarHBondContact O-CB 3.49Å; I95-K98 PolarHBondContact O-N 3.49Å; I95-E99 PolarHBondContact O-N 2.89Å
96	V	65.8	Low	75.3	Confident	7 Å²	7	64.9 Å²	64.9	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-57.6	-42.2	175.7	176.3	0	0	0	0	111.6	F56 F89 S92 K93 K98 E99 G100 V101	F56-V96 HydrophobicContact CE1-CG2 4.47Å; F89-V96 HydrophobicContact CE2-CG1 4.16Å; F89-V96 HydrophobicContact CE2-CG2 4.15Å; F89-V96 HydrophobicContact CZ-CG1 3.96Å; S92-V96 PolarHBondContact O-N 3.33Å; K93-V96 PolarHBondContact O-N 2.91Å; K93-V96 VanDerWaalsContact O-N 3.14Å; V96-K98 PolarHBondContact O-N 3.08Å; V96-E99 PolarHBondContact O-N 3.34Å; V96-E99 VanDerWaalsContact O-N 3.14Å; V96-G100 PolarHBondContact O-N 3.22Å; V96-V101 HydrophobicContact CG1-CG2 4.48Å
97	D	68.1	Low	75.3	Confident	106 Å²	106	66.8 Å²	66.8	57%	0.567	32%	0.324	S	S	*	.	H	α-helix	trans	-61.8	-6.4	174.9	-69	-8.9	0	0	0	113.5	K93 I95	K93-D97 VanDerWaalsContact CE-CG 3.45Å; K93-D97 WeakPolarHBondContact CE-OD1 3.32Å; K93-D97 WeakPolarHBondContact CE-OD2 3.22Å; K93-D97 WeakPolarHBondContact CG-OD1 3.26Å; K93-D97 VanDerWaalsContact CG-OD2 3.31Å; K93-D97 WeakPolarHBondContact CG-OD2 3.3Å; K93-D97 VanDerWaalsContact O-CB 3.3Å; K93-D97 WeakPolarHBondContact O-CB 3.49Å; K93-D97 PolarHBondContact O-N 3.44Å; I95-D97 VanDerWaalsContact C-N 3.31Å; I95-D97 PolarHBondContact O-N 3.17Å
98	K	70.4	Confident	75.2	Confident	179 Å²	179	60 Å²	60	78%	0.778	30%	0.299	S	S	*	.	H	α-helix	trans	-112.1	-21.9	176.2	-58.2	-176.4	179.7	-175	0	114.4	N94 I95 V96	N94-K98 WeakPolarHBondContact O-CE 3.26Å; I95-K98 WeakPolarHBondContact O-CA 3.34Å; I95-K98 WeakPolarHBondContact O-CB 3.49Å; I95-K98 PolarHBondContact O-N 3.49Å; V96-K98 PolarHBondContact O-N 3.08Å
99	E	65.1	Low	75.1	Confident	98 Å²	98	60 Å²	60	46%	0.458	30%	0.299	S	S	.	.	H	α-helix	trans	-119.8	-5.9	-171.7	-57	-162.1	142.1	0	0	113.3	K52 F56 I95 V96	K52-E99 WeakPolarHBondContact CD-OE1 3.38Å; K52-E99 WeakPolarHBondContact CD-OE2 3.47Å; K52-E99 WeakPolarHBondContact CE-OE1 3.09Å; K52-E99 WeakPolarHBondContact CE-OE2 3.28Å; K52-E99 IonicContact NZ-OE1 3.71Å; K52-E99 PolarHBondContact NZ-OE1 3.32Å; K52-E99 IonicContact NZ-OE2 2.78Å; K52-E99 PolarHBondContact NZ-OE2 3Å; F56-E99 WeakPolarHBondContact CE2-OE2 3.22Å; I95-E99 PolarHBondContact O-N 2.89Å; V96-E99 PolarHBondContact O-N 3.34Å; V96-E99 VanDerWaalsContact O-N 3.14Å
100	G	68.3	Low	75.1	Confident	43 Å²	43	59.6 Å²	59.6	44%	0.443	30%	0.299	S	S	.	.			trans	87.4	171.7	-173.6	0	0	0	0	0	112.8	V96 P102	V96-G100 PolarHBondContact O-N 3.22Å; G100-P102 WeakPolarHBondContact O-CD 3.47Å
101	V	70.6	Confident	75.2	Confident	37 Å²	37	56.5 Å²	56.5	22%	0.224	28%	0.283	C	S	.	.			trans	-74.4	121.9	176	-176	0	0	0	0	108.7	V96 Q103 Y105 I106 F151 E154	V96-V101 HydrophobicContact CG1-CG2 4.48Å; V101-Q103 PolarHBondContact O-N 2.96Å; V101-Y105 HydrophobicContact CG1-CD1 4.22Å; V101-I106 HydrophobicContact CB-CD1 4.35Å; V101-I106 HydrophobicContact CG1-CD1 4.01Å; V101-I106 HydrophobicContact CG1-CG1 3.9Å; V101-F151 HydrophobicContact CG1-CD1 4.42Å; V101-F151 HydrophobicContact CG1-CE1 4.2Å; V101-F151 HydrophobicContact CG2-CD1 4.49Å; V101-F151 HydrophobicContact CG2-CE1 4.04Å; V101-E154 WeakPolarHBondContact CG2-OE2 3.25Å
102	P	76.5	Confident	75.3	Confident	18 Å²	18	50.6 Å²	50.6	12%	0.117	26%	0.257	C	S	.	.			trans	-65.2	132.2	-177.2	-22.5	33.5	0	0	0	112.2	F56 G100 F104 Y105 I106	F56-P102 HydrophobicContact CD1-CG 4.3Å; F56-P102 HydrophobicContact CE1-CG 3.6Å; F56-P102 HydrophobicContact CZ-CG 3.95Å; G100-P102 WeakPolarHBondContact O-CD 3.47Å; P102-F104 HydrophobicContact CB-CD1 3.9Å; P102-F104 HydrophobicContact CB-CD2 4.22Å; P102-F104 HydrophobicContact CB-CE1 3.52Å; P102-F104 HydrophobicContact CB-CE2 3.87Å; P102-F104 HydrophobicContact CB-CG 4.24Å; P102-F104 HydrophobicContact CB-CZ 3.5Å; P102-F104 HydrophobicContact CG-CE1 4.37Å; P102-F104 HydrophobicContact CG-CE2 4.44Å; P102-F104 HydrophobicContact CG-CZ 4Å; P102-F104 PolarHBondContact O-N 3.38Å; P102-F104 VanDerWaalsContact O-N 3.17Å; P102-Y105 WeakPolarHBondContact O-CA 3.26Å; P102-Y105 WeakPolarHBondContact O-CB 3.45Å; P102-Y105 PolarHBondContact O-N 3.34Å; P102-I106 PolarHBondContact O-N 2.89Å
103	Q	73.9	Confident	75.8	Confident	121 Å²	121	52 Å²	52	57%	0.565	26%	0.264	S	S	*	.	H	α-helix	trans	-56.2	-36.6	-177.7	-63.8	179.8	2.2	0	0	112.9	V101 Y105 I106 R107	V101-Q103 PolarHBondContact O-N 2.96Å; Q103-Y105 PolarHBondContact O-N 3.26Å; Q103-I106 PolarHBondContact O-N 2.85Å; Q103-R107 WeakPolarHBondContact O-CB 3.49Å; Q103-R107 PolarHBondContact O-N 3.02Å
104	F	79.9	Confident	76.4	Confident	42 Å²	42	50.3 Å²	50.3	18%	0.184	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-24.2	175.8	63	-112.7	0	0	0	114	F56 L59 T60 I63 P102 L108	F56-F104 HydrophobicContact CB-CZ 4.19Å; F56-F104 AromaticContact CD1-CZ 3.91Å; F56-F104 HydrophobicContact CD1-CZ 3.91Å; F56-F104 HydrophobicContact CG-CZ 4.14Å; L59-F104 HydrophobicContact CB-CE2 4.48Å; T60-F104 HydrophobicContact CG2-CD2 4.23Å; T60-F104 HydrophobicContact CG2-CE1 4.44Å; T60-F104 HydrophobicContact CG2-CE2 4.05Å; T60-F104 HydrophobicContact CG2-CZ 4.16Å; I63-F104 HydrophobicContact CD1-CD2 3.46Å; I63-F104 VanDerWaalsContact CD1-CD2 3.46Å; I63-F104 HydrophobicContact CD1-CE2 3.9Å; P102-F104 HydrophobicContact CB-CD1 3.9Å; P102-F104 HydrophobicContact CB-CD2 4.22Å; P102-F104 HydrophobicContact CB-CE1 3.52Å; P102-F104 HydrophobicContact CB-CE2 3.87Å; P102-F104 HydrophobicContact CB-CG 4.24Å; P102-F104 HydrophobicContact CB-CZ 3.5Å; P102-F104 HydrophobicContact CG-CE1 4.37Å; P102-F104 HydrophobicContact CG-CE2 4.44Å; P102-F104 HydrophobicContact CG-CZ 4Å; P102-F104 PolarHBondContact O-N 3.38Å; P102-F104 VanDerWaalsContact O-N 3.17Å; F104-L108 PolarHBondContact O-N 3.06Å
105	Y	80.6	Confident	76.7	Confident	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-77.7	-44.5	177	-170.5	-99.6	0	0	0	110.5	L59 L85 F89 V101 P102 Q103 R107 L108 L109 Y147	L59-Y105 HydrophobicContact CD2-CE2 4.45Å; L85-Y105 HydrophobicContact CD1-CE2 4.24Å; L85-Y105 HydrophobicContact CD2-CE2 3.57Å; L85-Y105 WeakPolarHBondContact CD2-OH 3.48Å; L85-Y105 HydrophobicContact CG-CE2 3.97Å; F89-Y105 HydrophobicContact CB-CE2 4.31Å; F89-Y105 HydrophobicContact CD2-CD1 4.36Å; F89-Y105 HydrophobicContact CD2-CD2 4.1Å; F89-Y105 AromaticContact CD2-CE1 3.9Å; F89-Y105 HydrophobicContact CD2-CE1 3.9Å; F89-Y105 AromaticContact CD2-CE2 3.6Å; F89-Y105 HydrophobicContact CD2-CE2 3.6Å; F89-Y105 HydrophobicContact CD2-CG 4.45Å; F89-Y105 AromaticContact CD2-CZ 3.51Å; F89-Y105 AromaticContact CE2-CD1 3.97Å; F89-Y105 HydrophobicContact CE2-CD1 3.97Å; F89-Y105 HydrophobicContact CE2-CD2 4.4Å; F89-Y105 AromaticContact CE2-CE1 3.74Å; F89-Y105 HydrophobicContact CE2-CE1 3.74Å; F89-Y105 HydrophobicContact CE2-CE2 4.19Å; F89-Y105 HydrophobicContact CE2-CG 4.3Å; F89-Y105 AromaticContact CE2-CZ 3.87Å; F89-Y105 HydrophobicContact CG-CE1 4.4Å; F89-Y105 HydrophobicContact CG-CE2 4.14Å; F89-Y105 AromaticContact CG-CZ 3.81Å; F89-Y105 HydrophobicContact CZ-CE1 4.12Å; V101-Y105 HydrophobicContact CG1-CD1 4.22Å; P102-Y105 WeakPolarHBondContact O-CA 3.26Å; P102-Y105 WeakPolarHBondContact O-CB 3.45Å; P102-Y105 PolarHBondContact O-N 3.34Å; Q103-Y105 PolarHBondContact O-N 3.26Å; Y105-R107 VanDerWaalsContact C-N 3.33Å; Y105-R107 PolarHBondContact O-N 3.44Å; Y105-L108 PolarHBondContact O-N 2.81Å; Y105-L109 HydrophobicContact CD1-CD1 4.07Å; Y105-L109 HydrophobicContact CE1-CD1 3.85Å; Y105-L109 HydrophobicContact CE1-CG 4.4Å; Y105-L109 PolarHBondContact O-N 3.04Å; Y105-Y147 HydrophobicContact CE1-CE1 4.35Å; Y105-Y147 WeakPolarHBondContact OH-CE1 3.45Å; Y105-Y147 PolarHBondContact OH-OH 2.76Å
106	I	79.9	Confident	77.1	Confident	14 Å²	14	44.3 Å²	44.3	7%	0.072	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-43.2	173.7	-60.6	162.8	0	0	0	110	V101 P102 Q103 L108 L109 A110 E154 I155 Y158	V101-I106 HydrophobicContact CB-CD1 4.35Å; V101-I106 HydrophobicContact CG1-CD1 4.01Å; V101-I106 HydrophobicContact CG1-CG1 3.9Å; P102-I106 PolarHBondContact O-N 2.89Å; Q103-I106 PolarHBondContact O-N 2.85Å; I106-L108 PolarHBondContact O-N 3.28Å; I106-L109 PolarHBondContact O-N 2.99Å; I106-L109 VanDerWaalsContact O-N 3.12Å; I106-A110 PolarHBondContact O-N 2.66Å; I106-E154 HydrophobicContact CD1-CB 4Å; I106-I155 HydrophobicContact CG2-CG1 4.06Å; I106-Y158 HydrophobicContact CG2-CD1 4.33Å; I106-Y158 HydrophobicContact CG2-CG 4.03Å
107	R	81	Confident	77.9	Confident	61 Å²	61	45.7 Å²	45.7	23%	0.23	23%	0.232	C	C	.	.	H	α-helix	trans	-53.3	-46.7	172.5	-178.2	163.1	61.8	-178	-7.5	112	Q103 Y105 A110 D111 Y158 E169	Q103-R107 WeakPolarHBondContact O-CB 3.49Å; Q103-R107 PolarHBondContact O-N 3.02Å; Y105-R107 VanDerWaalsContact C-N 3.33Å; Y105-R107 PolarHBondContact O-N 3.44Å; R107-A110 PolarHBondContact O-N 2.92Å; R107-D111 PolarHBondContact O-N 3.38Å; R107-Y158 HydrophobicContact CB-CE1 3.88Å; R107-Y158 WeakPolarHBondContact CD-OH 3.32Å; R107-Y158 HydrophobicContact CG-CE1 4.21Å; R107-E169 IonicContact CZ-OE2 3.19Å; R107-E169 IonicContact NH1-OE2 3.43Å; R107-E169 IonicContact NH2-OE1 2.79Å; R107-E169 IonicContact NH2-OE2 3.93Å; R107-E169 PolarHBondContact NH2-OE2 3.12Å
108	L	82.5	Confident	78.6	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-38.8	176	179.8	66.2	0	0	0	113	I63 I66 R67 M70 L85 F104 Y105 I106 A110 D111 L112	I63-L108 HydrophobicContact CB-CD2 4.25Å; I63-L108 HydrophobicContact CG1-CB 4.34Å; I63-L108 HydrophobicContact CG1-CD2 3.62Å; I63-L108 HydrophobicContact CG2-CB 4.44Å; I63-L108 HydrophobicContact CG2-CD1 4.5Å; I63-L108 HydrophobicContact CG2-CD2 4.38Å; I66-L108 HydrophobicContact CB-CD2 4.43Å; I66-L108 HydrophobicContact CD1-CD2 3.85Å; I66-L108 HydrophobicContact CG2-CD1 3.97Å; I66-L108 HydrophobicContact CG2-CD2 4.32Å; R67-L108 HydrophobicContact CG-CD1 4.37Å; M70-L108 HydrophobicContact CE-CD1 4.13Å; L85-L108 HydrophobicContact CD1-CD2 3.68Å; F104-L108 PolarHBondContact O-N 3.06Å; Y105-L108 PolarHBondContact O-N 2.81Å; I106-L108 PolarHBondContact O-N 3.28Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.45Å; L108-D111 PolarHBondContact O-N 3.42Å; L108-L112 HydrophobicContact CD1-CD1 4.05Å; L108-L112 HydrophobicContact CD1-CG 4.03Å; L108-L112 HydrophobicContact CD2-CD1 4.17Å; L108-L112 HydrophobicContact CG-CD1 3.8Å; L108-L112 HydrophobicContact CG-CG 4.26Å; L108-L112 WeakPolarHBondContact O-CB 3.4Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 2.79Å
109	L	81.6	Confident	78.9	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-36.5	178.7	-67.8	179.4	0	0	0	111.8	F82 Y105 I106 E113 Y147 F151 I155	F82-L109 HydrophobicContact CE2-CD2 3.97Å; Y105-L109 HydrophobicContact CD1-CD1 4.07Å; Y105-L109 HydrophobicContact CE1-CD1 3.85Å; Y105-L109 HydrophobicContact CE1-CG 4.4Å; Y105-L109 PolarHBondContact O-N 3.04Å; I106-L109 PolarHBondContact O-N 2.99Å; I106-L109 VanDerWaalsContact O-N 3.12Å; L109-E113 WeakPolarHBondContact O-CB 3.4Å; L109-E113 PolarHBondContact O-N 3.49Å; L109-E113 VanDerWaalsContact O-N 3.08Å; L109-Y147 HydrophobicContact CD1-CD1 4.48Å; L109-Y147 HydrophobicContact CD1-CE1 4.37Å; L109-Y147 HydrophobicContact CD2-CD1 4.23Å; L109-Y147 HydrophobicContact CD2-CE1 4.39Å; L109-F151 HydrophobicContact CD1-CD2 4.29Å; L109-F151 HydrophobicContact CD1-CG 4.41Å; L109-I155 HydrophobicContact CB-CD1 4.14Å; L109-I155 HydrophobicContact CD1-CD1 4.44Å
110	A	81.5	Confident	79.4	Confident	9 Å²	9	38 Å²	38	7%	0.074	19%	0.193	C	C	.	.	H	α-helix	trans	-67.1	-50.2	171.4	0	0	0	0	0	112	I106 R107 L108 L112 E113 D114	I106-A110 PolarHBondContact O-N 2.66Å; R107-A110 PolarHBondContact O-N 2.92Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.45Å; A110-L112 VanDerWaalsContact C-N 3.26Å; A110-L112 PolarHBondContact O-N 3.47Å; A110-E113 PolarHBondContact O-N 2.92Å; A110-D114 PolarHBondContact O-N 3.36Å; A110-D114 VanDerWaalsContact O-N 3.09Å
111	D	82	Confident	80	Confident	58 Å²	58	43.2 Å²	43.2	31%	0.31	21%	0.206	S	C	.	.	H	α-helix	trans	-50.1	-47.4	175.5	-72	-18.2	0	0	0	111	R67 M70 R107 L108 Y115	R67-D111 IonicContact CZ-OD2 2.73Å; R67-D111 IonicContact NE-OD2 3.75Å; R67-D111 PolarHBondContact NE-OD2 3.27Å; R67-D111 VanDerWaalsContact NE-OD2 3.15Å; R67-D111 IonicContact NH2-OD2 3.93Å; R67-D111 PolarHBondContact NH2-OD2 3.39Å; M70-D111 HydrophobicContact CE-CB 4.3Å; R107-D111 PolarHBondContact O-N 3.38Å; L108-D111 PolarHBondContact O-N 3.42Å; D111-Y115 WeakPolarHBondContact O-CB 3.29Å; D111-Y115 PolarHBondContact O-N 3.13Å; D111-Y115 VanDerWaalsContact O-N 3.07Å
112	L	82.1	Confident	80.4	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-70.3	-40.7	-178.1	-80	168.5	0	0	0	113.7	I66 M70 F82 L108 A110 L116 I144	I66-L112 HydrophobicContact CG2-CD1 4.24Å; I66-L112 HydrophobicContact CG2-CD2 3.89Å; I66-L112 HydrophobicContact CG2-CG 4.36Å; M70-L112 HydrophobicContact CE-CD2 4.49Å; M70-L112 HydrophobicContact CG-CD2 4.31Å; M70-L112 HydrophobicContact SD-CD2 3.62Å; M70-L112 HydrophobicContact SD-CG 4.25Å; F82-L112 HydrophobicContact CD2-CD1 4.08Å; F82-L112 HydrophobicContact CE2-CD1 4.47Å; L108-L112 HydrophobicContact CD1-CD1 4.05Å; L108-L112 HydrophobicContact CD1-CG 4.03Å; L108-L112 HydrophobicContact CD2-CD1 4.17Å; L108-L112 HydrophobicContact CG-CD1 3.8Å; L108-L112 HydrophobicContact CG-CG 4.26Å; L108-L112 WeakPolarHBondContact O-CB 3.4Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 2.79Å; A110-L112 VanDerWaalsContact C-N 3.26Å; A110-L112 PolarHBondContact O-N 3.47Å; L112-L116 VanDerWaalsContact O-CB 3.26Å; L112-L116 WeakPolarHBondContact O-CB 3.31Å; L112-L116 VanDerWaalsContact O-CG 3.23Å; L112-L116 WeakPolarHBondContact O-CG 3.42Å; L112-L116 PolarHBondContact O-N 3.09Å; L112-I144 HydrophobicContact CB-CD1 3.87Å; L112-I144 HydrophobicContact CD1-CD1 4Å; L112-I144 HydrophobicContact CG-CD1 4.37Å
113	E	83.7	Confident	80.1	Confident	31 Å²	31	52.7 Å²	52.7	15%	0.145	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-50.4	177.3	174.3	90.3	-121.2	0	0	110.3	L109 A110 L116 N117 N148	L109-E113 WeakPolarHBondContact O-CB 3.4Å; L109-E113 PolarHBondContact O-N 3.49Å; L109-E113 VanDerWaalsContact O-N 3.08Å; A110-E113 PolarHBondContact O-N 2.92Å; E113-L116 PolarHBondContact O-N 3.47Å; E113-N117 WeakPolarHBondContact O-CB 3.27Å; E113-N117 VanDerWaalsContact O-CG 3.27Å; E113-N117 PolarHBondContact O-N 2.63Å; E113-N117 PolarHBondContact O-ND2 2.69Å; E113-N117 PolarHBondContact OE1-ND2 2.9Å; E113-N117 VanDerWaalsContact OE1-ND2 3.12Å; E113-N148 PolarHBondContact OE2-ND2 2.92Å
114	D	83.4	Confident	79.8	Confident	62 Å²	62	54 Å²	54	33%	0.332	25%	0.252	S	S	.	.	H	α-helix	trans	-70.3	-40.6	-175.7	-66.8	-23.4	0	0	0	111.4	A110 L116 N117 Q118 K159	A110-D114 PolarHBondContact O-N 3.36Å; A110-D114 VanDerWaalsContact O-N 3.09Å; D114-L116 PolarHBondContact O-N 3.41Å; D114-N117 PolarHBondContact O-N 3.34Å; D114-Q118 VanDerWaalsContact O-CG 3.25Å; D114-Q118 WeakPolarHBondContact O-CG 3.49Å; D114-Q118 PolarHBondContact O-N 3.23Å; D114-K159 IonicContact OD1-NZ 3.79Å; D114-K159 PolarHBondContact OD1-NZ 3.26Å; D114-K159 VanDerWaalsContact OD2-CE 3.29Å; D114-K159 WeakPolarHBondContact OD2-CE 3.29Å; D114-K159 IonicContact OD2-NZ 3.68Å; D114-K159 PolarHBondContact OD2-NZ 3.22Å
115	Y	82.1	Confident	79.1	Confident	37 Å²	37	53.1 Å²	53.1	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-41.2	172.3	-179.8	-113.3	0	0	0	112.8	M70 M75 D111 L119	M70-Y115 HydrophobicContact CB-CD1 4.36Å; M70-Y115 HydrophobicContact CB-CE1 3.94Å; M70-Y115 HydrophobicContact CG-CD1 3.83Å; M70-Y115 HydrophobicContact CG-CE1 3.71Å; M70-Y115 PolarHBondContact O-OH 3.06Å; M70-Y115 HydrophobicContact SD-CD1 3.66Å; M70-Y115 HydrophobicContact SD-CE1 4.18Å; M70-Y115 HydrophobicContact SD-CG 4.02Å; M75-Y115 HydrophobicContact CE-CE1 3.96Å; D111-Y115 WeakPolarHBondContact O-CB 3.29Å; D111-Y115 PolarHBondContact O-N 3.13Å; D111-Y115 VanDerWaalsContact O-N 3.07Å; Y115-L119 HydrophobicContact CD1-CD1 4.11Å; Y115-L119 HydrophobicContact CE1-CD1 3.56Å; Y115-L119 HydrophobicContact CE2-CD1 3.99Å; Y115-L119 HydrophobicContact CE2-CG 4.26Å; Y115-L119 VanDerWaalsContact CZ-CD1 3.48Å; Y115-L119 WeakPolarHBondContact O-CB 3.4Å; Y115-L119 WeakPolarHBondContact O-CG 3.3Å; Y115-L119 PolarHBondContact O-N 3.16Å
116	L	80.6	Confident	78.4	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-74.5	-26.2	177.6	-75.5	173.9	0	0	0	113.8	M75 L112 E113 D114 W120 L137 L140 I144	M75-L116 HydrophobicContact CE-CD2 3.71Å; M75-L116 HydrophobicContact SD-CD2 3.76Å; L112-L116 VanDerWaalsContact O-CB 3.26Å; L112-L116 WeakPolarHBondContact O-CB 3.31Å; L112-L116 VanDerWaalsContact O-CG 3.23Å; L112-L116 WeakPolarHBondContact O-CG 3.42Å; L112-L116 PolarHBondContact O-N 3.09Å; E113-L116 PolarHBondContact O-N 3.47Å; D114-L116 PolarHBondContact O-N 3.41Å; L116-W120 WeakPolarHBondContact O-CB 3.45Å; L116-W120 PolarHBondContact O-N 3.22Å; L116-L137 HydrophobicContact CD2-CD2 4.08Å; L116-L137 HydrophobicContact CD2-CG 3.96Å; L116-L140 HydrophobicContact CD1-CD2 4.1Å; L116-L140 HydrophobicContact CD1-CG 3.91Å; L116-L140 HydrophobicContact CD2-CD2 4.46Å; L116-I144 HydrophobicContact CD1-CD1 3.79Å
117	N	83.1	Confident	77.9	Confident	35 Å²	35	64.7 Å²	64.7	19%	0.187	31%	0.305	C	S	.	.	H	α-helix	trans	-74.4	-45.3	172.8	-71.1	-37.9	0	0	0	110.3	E113 D114 L119 W120 E121 R145	E113-N117 WeakPolarHBondContact O-CB 3.27Å; E113-N117 VanDerWaalsContact O-CG 3.27Å; E113-N117 PolarHBondContact O-N 2.63Å; E113-N117 PolarHBondContact O-ND2 2.69Å; E113-N117 PolarHBondContact OE1-ND2 2.9Å; E113-N117 VanDerWaalsContact OE1-ND2 3.12Å; D114-N117 PolarHBondContact O-N 3.34Å; N117-L119 PolarHBondContact O-N 3.25Å; N117-W120 WeakPolarHBondContact O-CB 3.35Å; N117-W120 PolarHBondContact O-N 3.09Å; N117-E121 PolarHBondContact O-N 2.71Å; N117-E121 VanDerWaalsContact O-N 3.1Å; N117-R145 PolarHBondContact OD1-NH2 2.74Å
118	Q	82	Confident	77.5	Confident	123 Å²	123	70.3 Å²	70.3	58%	0.575	33%	0.331	S	S	*	.	H	α-helix	trans	-53.4	-53.3	171.4	-69.9	167.1	23.5	0	0	112	D114 W120 E121 D122	D114-Q118 VanDerWaalsContact O-CG 3.25Å; D114-Q118 WeakPolarHBondContact O-CG 3.49Å; D114-Q118 PolarHBondContact O-N 3.23Å; Q118-W120 PolarHBondContact O-N 3.46Å; Q118-W120 VanDerWaalsContact O-N 3.13Å; Q118-E121 PolarHBondContact O-N 3.5Å; Q118-E121 VanDerWaalsContact O-N 3.13Å; Q118-D122 PolarHBondContact O-N 2.88Å; Q118-D122 VanDerWaalsContact O-N 3.08Å
119	L	77.7	Confident	76.8	Confident	18 Å²	18	72.7 Å²	72.7	9%	0.094	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-13.2	178	-71.4	-178.8	0	0	0	114.6	M75 Y115 N117 L137	M75-L119 HydrophobicContact CE-CD1 3.6Å; Y115-L119 HydrophobicContact CD1-CD1 4.11Å; Y115-L119 HydrophobicContact CE1-CD1 3.56Å; Y115-L119 HydrophobicContact CE2-CD1 3.99Å; Y115-L119 HydrophobicContact CE2-CG 4.26Å; Y115-L119 VanDerWaalsContact CZ-CD1 3.48Å; Y115-L119 WeakPolarHBondContact O-CB 3.4Å; Y115-L119 WeakPolarHBondContact O-CG 3.3Å; Y115-L119 PolarHBondContact O-N 3.16Å; N117-L119 PolarHBondContact O-N 3.25Å; L119-L137 HydrophobicContact CB-CD1 3.98Å; L119-L137 HydrophobicContact CD1-CD1 4.13Å
120	W	75.4	Confident	76.5	Confident	82 Å²	82	77.5 Å²	77.5	31%	0.311	37%	0.368	S	S	.	.	H	α-helix	trans	-89.5	-27.6	174.4	-164.1	-96.8	0	0	0	112.8	L116 N117 Q118 L137	L116-W120 WeakPolarHBondContact O-CB 3.45Å; L116-W120 PolarHBondContact O-N 3.22Å; N117-W120 WeakPolarHBondContact O-CB 3.35Å; N117-W120 PolarHBondContact O-N 3.09Å; Q118-W120 PolarHBondContact O-N 3.46Å; Q118-W120 VanDerWaalsContact O-N 3.13Å; W120-L137 HydrophobicContact CE3-CD2 3.59Å; W120-L137 HydrophobicContact CZ3-CD2 3.96Å
121	E	80.3	Confident	76.4	Confident	152 Å²	152	84.8 Å²	84.8	71%	0.71	40%	0.398	S	S	*	.	H	α-helix	trans	-77.5	-32.4	173.6	-69	176.6	-170.1	0	0	111.5	N117 Q118 K123	N117-E121 PolarHBondContact O-N 2.71Å; N117-E121 VanDerWaalsContact O-N 3.1Å; Q118-E121 PolarHBondContact O-N 3.5Å; Q118-E121 VanDerWaalsContact O-N 3.13Å; E121-K123 PolarHBondContact O-N 2.96Å
122	D	77.6	Confident	76.3	Confident	84 Å²	84	86.8 Å²	86.8	45%	0.449	41%	0.409	S	S	.	.			trans	-66.5	70	172.3	-95.4	-2.6	0	0	0	113.7	Q118 E124 G125 K126	Q118-D122 PolarHBondContact O-N 2.88Å; Q118-D122 VanDerWaalsContact O-N 3.08Å; D122-E124 PolarHBondContact O-N 3.3Å; D122-E124 VanDerWaalsContact O-N 3.09Å; D122-G125 PolarHBondContact O-N 3.43Å; D122-G125 VanDerWaalsContact O-N 3.16Å; D122-K126 PolarHBondContact O-N 3.36Å
123	K	71.6	Confident	76.1	Confident	169 Å²	169	88.1 Å²	88.1	74%	0.735	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.9	177.7	-71	170.8	-175.2	168.5	0	113.9	E121	E121-K123 PolarHBondContact O-N 2.96Å
124	E	66.9	Low	75.9	Confident	148 Å²	148	88.1 Å²	88.1	69%	0.692	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-43.8	176.3	-62.6	-164.5	172.8	0	0	112.6	D122 K126 K127 K128	D122-E124 PolarHBondContact O-N 3.3Å; D122-E124 VanDerWaalsContact O-N 3.09Å; E124-K126 PolarHBondContact O-N 3.47Å; E124-K127 PolarHBondContact O-N 2.87Å; E124-K127 VanDerWaalsContact O-N 3.08Å; E124-K128 PolarHBondContact O-N 2.63Å
125	G	64.8	Low	76	Confident	24 Å²	24	91.4 Å²	91.4	25%	0.247	43%	0.432	C	S	.	.	H	α-helix	trans	-56.8	-41.1	173.6	0	0	0	0	0	111.4	D122 K127 K128 M129	D122-G125 PolarHBondContact O-N 3.43Å; D122-G125 VanDerWaalsContact O-N 3.16Å; G125-K127 VanDerWaalsContact C-N 3.25Å; G125-K127 PolarHBondContact O-N 2.81Å; G125-K128 PolarHBondContact O-N 2.95Å; G125-M129 PolarHBondContact O-N 3.46Å
126	K	66.2	Low	76.1	Confident	72 Å²	72	89.9 Å²	89.9	31%	0.313	43%	0.428	S	S	.	.	H	α-helix	trans	-60.1	-27.4	176.7	-170.6	168.4	-179.4	172.6	0	114.8	D122 E124 M129	D122-K126 PolarHBondContact O-N 3.36Å; E124-K126 PolarHBondContact O-N 3.47Å; K126-M129 HydrophobicContact CB-CE 4.36Å; K126-M129 HydrophobicContact CG-CE 4.18Å
127	K	70.8	Confident	76.2	Confident	187 Å²	187	89.9 Å²	89.9	81%	0.813	43%	0.428	S	S	*	.	H	α-helix	trans	-80.4	-22.6	174.4	-71.4	-178.4	178.2	-179.8	0	113.4	E124 G125	E124-K127 PolarHBondContact O-N 2.87Å; E124-K127 VanDerWaalsContact O-N 3.08Å; G125-K127 VanDerWaalsContact C-N 3.25Å; G125-K127 PolarHBondContact O-N 2.81Å
128	K	71.7	Confident	76.3	Confident	179 Å²	179	90.6 Å²	90.6	78%	0.778	44%	0.436	S	S	*	.	H	α-helix	trans	-88.4	-5.3	-179.4	-64.9	178.7	179.7	176.6	0	113.3	E124 G125	E124-K128 PolarHBondContact O-N 2.63Å; G125-K128 PolarHBondContact O-N 2.95Å
129	M	67.1	Low	76.6	Confident	50 Å²	50	87.2 Å²	87.2	25%	0.246	42%	0.423	C	S	.	.	S	Bend	trans	-83	146.2	178.8	-71.2	-163.9	-71.8	0	0	113.2	G125 K126 N133 L137	G125-M129 PolarHBondContact O-N 3.46Å; K126-M129 HydrophobicContact CB-CE 4.36Å; K126-M129 HydrophobicContact CG-CE 4.18Å; M129-N133 HydrophobicContact CB-CB 4.41Å; M129-N133 HydrophobicContact SD-CB 4.33Å; M129-L137 HydrophobicContact CE-CB 4.45Å; M129-L137 HydrophobicContact CE-CD1 3.49Å; M129-L137 VanDerWaalsContact CE-CD1 3.49Å; M129-L137 HydrophobicContact SD-CD1 4.02Å
130	N	77	Confident	76.9	Confident	103 Å²	103	86.4 Å²	86.4	55%	0.551	42%	0.419	S	S	*	.			trans	-54.3	142.9	167.4	-174.4	-22.1	0	0	0	111	N132 N133 A134	N130-N132 PolarHBondContact O-N 3.1Å; N130-N132 VanDerWaalsContact O-N 3.1Å; N130-N132 PolarHBondContact OD1-N 3.49Å; N130-N133 PolarHBondContact O-N 3.07Å; N130-A134 PolarHBondContact O-N 3Å
131	K	79.1	Confident	77.4	Confident	162 Å²	162	85 Å²	85	70%	0.704	41%	0.414	S	S	*	.	H	α-helix	trans	-50.4	-32.7	177.8	-168.5	174.7	-175.1	175.9	0	113.3	K135	K131-K135 WeakPolarHBondContact O-CG 3.26Å; K131-K135 PolarHBondContact O-N 2.71Å
132	N	79.6	Confident	77.6	Confident	99 Å²	99	84.9 Å²	84.9	53%	0.529	41%	0.413	S	S	.	.	H	α-helix	trans	-73.3	-48.1	174.7	-69.8	-6.3	0	0	0	111.7	N130 A134 K135 A136	N130-N132 PolarHBondContact O-N 3.1Å; N130-N132 VanDerWaalsContact O-N 3.1Å; N130-N132 PolarHBondContact OD1-N 3.49Å; N132-A134 VanDerWaalsContact C-N 3.32Å; N132-A134 PolarHBondContact O-N 2.99Å; N132-K135 WeakPolarHBondContact O-CB 3.33Å; N132-K135 PolarHBondContact O-N 3.28Å; N132-A136 WeakPolarHBondContact O-CB 3.49Å; N132-A136 PolarHBondContact O-N 3.16Å
133	N	78.4	Confident	77.9	Confident	31 Å²	31	84.8 Å²	84.8	17%	0.166	41%	0.409	C	S	.	.	H	α-helix	trans	-63.3	-37.5	177.9	-64.2	30.5	0	0	0	111.6	M75 M129 N130 K135 A136 L137	M75-N133 HydrophobicContact CB-CB 4.17Å; M129-N133 HydrophobicContact CB-CB 4.41Å; M129-N133 HydrophobicContact SD-CB 4.33Å; N130-N133 PolarHBondContact O-N 3.07Å; N133-K135 PolarHBondContact O-N 3.47Å; N133-A136 PolarHBondContact O-N 3.08Å; N133-L137 WeakPolarHBondContact O-CB 3.45Å; N133-L137 PolarHBondContact O-N 2.86Å
134	A	79.6	Confident	78.4	Confident	30 Å²	30	76.8 Å²	76.8	25%	0.248	37%	0.374	C	S	.	.	H	α-helix	trans	-63.9	-38.2	175.2	0	0	0	0	0	112.9	N130 N132 S138	N130-A134 PolarHBondContact O-N 3Å; N132-A134 VanDerWaalsContact C-N 3.32Å; N132-A134 PolarHBondContact O-N 2.99Å; A134-S138 PolarHBondContact O-N 3.02Å
135	K	84.6	Confident	79.1	Confident	131 Å²	131	74.7 Å²	74.7	57%	0.57	36%	0.36	S	S	*	.	H	α-helix	trans	-66	-52.3	169.9	-76.2	178	174.8	-175.6	0	110.8	K131 N132 N133 L137 S138 T139	K131-K135 WeakPolarHBondContact O-CG 3.26Å; K131-K135 PolarHBondContact O-N 2.71Å; N132-K135 WeakPolarHBondContact O-CB 3.33Å; N132-K135 PolarHBondContact O-N 3.28Å; N133-K135 PolarHBondContact O-N 3.47Å; K135-L137 VanDerWaalsContact C-N 3.26Å; K135-L137 PolarHBondContact O-N 3.18Å; K135-S138 PolarHBondContact O-N 3.02Å; K135-S138 PolarHBondContact O-OG 3.31Å; K135-T139 PolarHBondContact O-N 3.31Å; K135-T139 PolarHBondContact O-OG1 3.42Å
136	A	84.5	Confident	80	Confident	6 Å²	6	81.2 Å²	81.2	5%	0.05	38%	0.381	C	S	.	.	H	α-helix	trans	-55.8	-40.4	-178.1	0	0	0	0	0	111.9	M75 L79 N132 N133 S138 T139 L140	M75-A136 HydrophobicContact CB-CB 4.49Å; M75-A136 HydrophobicContact CG-CB 4.2Å; M75-A136 WeakPolarHBondContact O-CB 3.38Å; L79-A136 HydrophobicContact CB-CB 4.44Å; L79-A136 HydrophobicContact CD2-CB 3.97Å; N132-A136 WeakPolarHBondContact O-CB 3.49Å; N132-A136 PolarHBondContact O-N 3.16Å; N133-A136 PolarHBondContact O-N 3.08Å; A136-S138 PolarHBondContact O-N 2.89Å; A136-T139 PolarHBondContact O-N 3.46Å; A136-L140 VanDerWaalsContact O-CB 3.31Å; A136-L140 WeakPolarHBondContact O-CB 3.34Å; A136-L140 PolarHBondContact O-N 2.92Å
137	L	82.5	Confident	80.7	Confident	2 Å²	2	80.1 Å²	80.1	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-60.2	-47.5	175.2	-153.9	157.9	0	0	0	111.6	M75 L116 L119 W120 M129 N133 K135 T139 L140 R141	M75-L137 HydrophobicContact CE-CD1 3.97Å; M75-L137 HydrophobicContact CE-CG 4.03Å; M75-L137 VanDerWaalsContact CG-CA 3.47Å; M75-L137 HydrophobicContact CG-CB 3.65Å; M75-L137 HydrophobicContact CG-CD1 4.41Å; M75-L137 HydrophobicContact CG-CG 3.97Å; M75-L137 HydrophobicContact SD-CB 4.43Å; M75-L137 HydrophobicContact SD-CG 4.17Å; L116-L137 HydrophobicContact CD2-CD2 4.08Å; L116-L137 HydrophobicContact CD2-CG 3.96Å; L119-L137 HydrophobicContact CB-CD1 3.98Å; L119-L137 HydrophobicContact CD1-CD1 4.13Å; W120-L137 HydrophobicContact CE3-CD2 3.59Å; W120-L137 HydrophobicContact CZ3-CD2 3.96Å; M129-L137 HydrophobicContact CE-CB 4.45Å; M129-L137 HydrophobicContact CE-CD1 3.49Å; M129-L137 VanDerWaalsContact CE-CD1 3.49Å; M129-L137 HydrophobicContact SD-CD1 4.02Å; N133-L137 WeakPolarHBondContact O-CB 3.45Å; N133-L137 PolarHBondContact O-N 2.86Å; K135-L137 VanDerWaalsContact C-N 3.26Å; K135-L137 PolarHBondContact O-N 3.18Å; L137-T139 VanDerWaalsContact C-N 3.32Å; L137-T139 PolarHBondContact O-N 3.37Å; L137-L140 PolarHBondContact O-N 3.21Å; L137-R141 VanDerWaalsContact O-CB 3.23Å; L137-R141 WeakPolarHBondContact O-CB 3.36Å; L137-R141 PolarHBondContact O-N 3.4Å
138	S	85	Confident	80.8	Confident	51 Å²	51	71.2 Å²	71.2	36%	0.357	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-37.2	178.7	71.5	0	0	0	0	112.7	A134 K135 A136 Q142	A134-S138 PolarHBondContact O-N 3.02Å; K135-S138 PolarHBondContact O-N 3.02Å; K135-S138 PolarHBondContact O-OG 3.31Å; A136-S138 PolarHBondContact O-N 2.89Å; S138-Q142 WeakPolarHBondContact O-CB 3.28Å; S138-Q142 PolarHBondContact O-N 3.2Å
139	T	87.5	Confident	81.1	Confident	52 Å²	52	71.3 Å²	71.3	32%	0.319	33%	0.332	S	S	.	.	H	α-helix	trans	-71.1	-45.8	176.1	-56.3	0	0	0	0	112	L79 K135 A136 L137 Q142 K143	L79-T139 HydrophobicContact CD1-CG2 4.27Å; L79-T139 HydrophobicContact CD2-CG2 4.07Å; K135-T139 PolarHBondContact O-N 3.31Å; K135-T139 PolarHBondContact O-OG1 3.42Å; A136-T139 PolarHBondContact O-N 3.46Å; L137-T139 VanDerWaalsContact C-N 3.32Å; L137-T139 PolarHBondContact O-N 3.37Å; T139-Q142 PolarHBondContact O-N 3.35Å; T139-K143 HydrophobicContact CG2-CD 4.41Å; T139-K143 WeakPolarHBondContact O-CG 3.46Å; T139-K143 PolarHBondContact O-N 3.02Å
140	L	85.1	Confident	81.3	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-64.5	-45.6	-179.7	-174.1	58.4	0	0	0	110.9	M75 C78 L79 F82 L116 A136 L137 Q142 K143 I144	M75-L140 HydrophobicContact SD-CD2 3.7Å; C78-L140 HydrophobicContact CB-CD2 3.9Å; L79-L140 HydrophobicContact CB-CB 4.45Å; L79-L140 HydrophobicContact CD1-CB 4.08Å; L79-L140 HydrophobicContact CD1-CD1 3.92Å; F82-L140 HydrophobicContact CB-CD1 3.89Å; F82-L140 HydrophobicContact CD1-CD1 3.7Å; F82-L140 HydrophobicContact CE1-CD1 4.44Å; F82-L140 HydrophobicContact CG-CD1 3.8Å; L116-L140 HydrophobicContact CD1-CD2 4.1Å; L116-L140 HydrophobicContact CD1-CG 3.91Å; L116-L140 HydrophobicContact CD2-CD2 4.46Å; A136-L140 VanDerWaalsContact O-CB 3.31Å; A136-L140 WeakPolarHBondContact O-CB 3.34Å; A136-L140 PolarHBondContact O-N 2.92Å; L137-L140 PolarHBondContact O-N 3.21Å; L140-Q142 PolarHBondContact O-N 2.98Å; L140-K143 PolarHBondContact O-N 2.88Å; L140-I144 HydrophobicContact CD1-CD1 3.84Å; L140-I144 HydrophobicContact CD1-CG1 3.94Å; L140-I144 HydrophobicContact CG-CD1 3.95Å; L140-I144 HydrophobicContact CG-CG1 4.3Å; L140-I144 PolarHBondContact O-N 3.02Å
141	R	85.1	Confident	80.9	Confident	53 Å²	53	71 Å²	71	20%	0.2	33%	0.331	C	S	.	.	H	α-helix	trans	-58.4	-33.8	173.6	-175	174.9	176.8	-86.9	5.7	112.5	L137 R145	L137-R141 VanDerWaalsContact O-CB 3.23Å; L137-R141 WeakPolarHBondContact O-CB 3.36Å; L137-R141 PolarHBondContact O-N 3.4Å; R141-R145 VanDerWaalsContact O-CB 3.28Å; R141-R145 WeakPolarHBondContact O-CB 3.19Å; R141-R145 WeakPolarHBondContact O-CD 3.12Å; R141-R145 WeakPolarHBondContact O-CG 3.46Å; R141-R145 PolarHBondContact O-N 3.49Å
142	Q	85.7	Confident	80.4	Confident	150 Å²	150	68.5 Å²	68.5	70%	0.701	32%	0.322	S	S	*	.	H	α-helix	trans	-75	-35.6	174.1	-172.4	178.1	2.2	0	0	112.8	S138 T139 L140 K146	S138-Q142 WeakPolarHBondContact O-CB 3.28Å; S138-Q142 PolarHBondContact O-N 3.2Å; T139-Q142 PolarHBondContact O-N 3.35Å; L140-Q142 PolarHBondContact O-N 2.98Å; Q142-K146 PolarHBondContact O-N 3.3Å
143	K	83.8	Confident	79.9	Confident	81 Å²	81	69.3 Å²	69.3	35%	0.352	33%	0.33	S	S	.	.	H	α-helix	trans	-70.6	-49.4	177	-72.5	-171.7	-177.5	-165	0	111.8	L79 F82 E83 T139 L140 R145 K146 Y147	L79-K143 HydrophobicContact CD1-CD 4.05Å; F82-K143 HydrophobicContact CE1-CB 4.42Å; E83-K143 VanDerWaalsContact CD-NZ 3.35Å; E83-K143 IonicContact OE1-NZ 3.76Å; E83-K143 PolarHBondContact OE1-NZ 3.28Å; T139-K143 HydrophobicContact CG2-CD 4.41Å; T139-K143 WeakPolarHBondContact O-CG 3.46Å; T139-K143 PolarHBondContact O-N 3.02Å; L140-K143 PolarHBondContact O-N 2.88Å; K143-R145 PolarHBondContact O-N 3.4Å; K143-K146 WeakPolarHBondContact O-CA 3.21Å; K143-K146 WeakPolarHBondContact O-CB 3.46Å; K143-K146 PolarHBondContact O-N 2.84Å; K143-Y147 WeakPolarHBondContact O-CB 3.38Å; K143-Y147 PolarHBondContact O-N 3.26Å
144	I	82.6	Confident	79.2	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-45.5	179.4	-67.5	-171.4	0	0	0	110.7	F82 L112 L116 L140 K146 Y147 N148	F82-I144 HydrophobicContact CD1-CG1 4.42Å; F82-I144 HydrophobicContact CD2-CD1 4.15Å; F82-I144 HydrophobicContact CD2-CG1 4.35Å; F82-I144 HydrophobicContact CE1-CG1 3.93Å; F82-I144 HydrophobicContact CE2-CD1 4Å; F82-I144 HydrophobicContact CE2-CG1 3.86Å; F82-I144 HydrophobicContact CZ-CD1 4.3Å; F82-I144 HydrophobicContact CZ-CG1 3.64Å; L112-I144 HydrophobicContact CB-CD1 3.87Å; L112-I144 HydrophobicContact CD1-CD1 4Å; L112-I144 HydrophobicContact CG-CD1 4.37Å; L116-I144 HydrophobicContact CD1-CD1 3.79Å; L140-I144 HydrophobicContact CD1-CD1 3.84Å; L140-I144 HydrophobicContact CD1-CG1 3.94Å; L140-I144 HydrophobicContact CG-CD1 3.95Å; L140-I144 HydrophobicContact CG-CG1 4.3Å; L140-I144 PolarHBondContact O-N 3.02Å; I144-K146 PolarHBondContact O-N 3Å; I144-Y147 PolarHBondContact O-N 3.44Å; I144-N148 VanDerWaalsContact CG2-ND2 3.34Å; I144-N148 WeakPolarHBondContact CG2-ND2 3.39Å; I144-N148 WeakPolarHBondContact O-CB 3.42Å; I144-N148 PolarHBondContact O-N 2.72Å
145	R	81.2	Confident	78.5	Confident	104 Å²	104	70.3 Å²	70.3	39%	0.392	33%	0.329	S	S	.	.	H	α-helix	trans	-66.4	-6.5	173.5	-70.1	174.3	171	-121.4	-6.3	115.8	N117 R141 K143 R149	N117-R145 PolarHBondContact OD1-NH2 2.74Å; R141-R145 VanDerWaalsContact O-CB 3.28Å; R141-R145 WeakPolarHBondContact O-CB 3.19Å; R141-R145 WeakPolarHBondContact O-CD 3.12Å; R141-R145 WeakPolarHBondContact O-CG 3.46Å; R141-R145 PolarHBondContact O-N 3.49Å; K143-R145 PolarHBondContact O-N 3.4Å; R145-R149 PolarHBondContact O-NE 3.2Å
146	K	84.1	Confident	77.6	Confident	161 Å²	161	66.2 Å²	66.2	70%	0.7	32%	0.32	S	S	*	.	H	α-helix	trans	-96.3	-35.3	168	-169.2	-175.9	175.8	-169.7	0	111.2	Q142 K143 I144	Q142-K146 PolarHBondContact O-N 3.3Å; K143-K146 WeakPolarHBondContact O-CA 3.21Å; K143-K146 WeakPolarHBondContact O-CB 3.46Å; K143-K146 PolarHBondContact O-N 2.84Å; I144-K146 PolarHBondContact O-N 3Å
147	Y	79.5	Confident	76.7	Confident	48 Å²	48	68.6 Å²	68.6	19%	0.188	34%	0.34	C	S	.	.	H	α-helix	trans	-79.6	-46	-176.8	-164.3	-108.3	0	0	0	112.8	F82 Y105 L109 K143 I144 R149 D150 F151	F82-Y147 HydrophobicContact CZ-CD1 4.02Å; F82-Y147 HydrophobicContact CZ-CG 4.28Å; Y105-Y147 HydrophobicContact CE1-CE1 4.35Å; Y105-Y147 WeakPolarHBondContact OH-CE1 3.45Å; Y105-Y147 PolarHBondContact OH-OH 2.76Å; L109-Y147 HydrophobicContact CD1-CD1 4.48Å; L109-Y147 HydrophobicContact CD1-CE1 4.37Å; L109-Y147 HydrophobicContact CD2-CD1 4.23Å; L109-Y147 HydrophobicContact CD2-CE1 4.39Å; K143-Y147 WeakPolarHBondContact O-CB 3.38Å; K143-Y147 PolarHBondContact O-N 3.26Å; I144-Y147 PolarHBondContact O-N 3.44Å; Y147-R149 PolarHBondContact O-N 3.06Å; Y147-R149 VanDerWaalsContact O-N 3.08Å; Y147-D150 PolarHBondContact O-N 3.4Å; Y147-F151 HydrophobicContact CD1-CD2 4.32Å; Y147-F151 HydrophobicContact CD1-CE2 4.16Å; Y147-F151 HydrophobicContact CE1-CD2 4.17Å; Y147-F151 AromaticContact CE1-CE2 3.63Å; Y147-F151 HydrophobicContact CE1-CE2 3.63Å; Y147-F151 HydrophobicContact CE2-CE2 4.35Å; Y147-F151 AromaticContact CZ-CE2 3.73Å
148	N	73.6	Confident	75.6	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.005	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-60.6	-22.8	-179.1	-72.6	12.9	0	0	0	112.9	E113 I144 D150 F151 E152 I155	E113-N148 PolarHBondContact OE2-ND2 2.92Å; I144-N148 VanDerWaalsContact CG2-ND2 3.34Å; I144-N148 WeakPolarHBondContact CG2-ND2 3.39Å; I144-N148 WeakPolarHBondContact O-CB 3.42Å; I144-N148 PolarHBondContact O-N 2.72Å; N148-D150 PolarHBondContact O-N 3.46Å; N148-F151 CarbonylContact O-C 3.48Å; N148-F151 VanDerWaalsContact O-C 3.3Å; N148-F151 WeakPolarHBondContact O-CA 3.25Å; N148-F151 PolarHBondContact O-N 2.77Å; N148-E152 WeakPolarHBondContact O-CA 3.4Å; N148-E152 PolarHBondContact O-N 2.7Å; N148-I155 HydrophobicContact CB-CD1 3.91Å
149	R	77	Confident	74.6	Confident	180 Å²	180	72.4 Å²	72.4	68%	0.679	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-55.8	-31.9	173.6	-64.2	177.7	178.8	-143.9	-10.7	113.7	R145 Y147 F151	R145-R149 PolarHBondContact O-NE 3.2Å; Y147-R149 PolarHBondContact O-N 3.06Å; Y147-R149 VanDerWaalsContact O-N 3.08Å; R149-F151 VanDerWaalsContact C-N 3.27Å
150	D	71	Confident	73.5	Confident	126 Å²	126	77.5 Å²	77.5	67%	0.674	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-82.9	-10.4	-178.6	-56.4	-23.9	0	0	0	111.3	Y147 N148	Y147-D150 PolarHBondContact O-N 3.4Å; N148-D150 PolarHBondContact O-N 3.46Å
151	F	69.4	Low	72.1	Confident	22 Å²	22	83.1 Å²	83.1	10%	0.096	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	6.6	-178.3	-61	-81.2	0	0	0	113.2	F89 V101 L109 Y147 N148 R149 T153 E154 I155	F89-F151 HydrophobicContact CE1-CZ 4.04Å; F89-F151 HydrophobicContact CZ-CE1 4.38Å; F89-F151 HydrophobicContact CZ-CZ 4.14Å; V101-F151 HydrophobicContact CG1-CD1 4.42Å; V101-F151 HydrophobicContact CG1-CE1 4.2Å; V101-F151 HydrophobicContact CG2-CD1 4.49Å; V101-F151 HydrophobicContact CG2-CE1 4.04Å; L109-F151 HydrophobicContact CD1-CD2 4.29Å; L109-F151 HydrophobicContact CD1-CG 4.41Å; Y147-F151 HydrophobicContact CD1-CD2 4.32Å; Y147-F151 HydrophobicContact CD1-CE2 4.16Å; Y147-F151 HydrophobicContact CE1-CD2 4.17Å; Y147-F151 AromaticContact CE1-CE2 3.63Å; Y147-F151 HydrophobicContact CE1-CE2 3.63Å; Y147-F151 HydrophobicContact CE2-CE2 4.35Å; Y147-F151 AromaticContact CZ-CE2 3.73Å; N148-F151 CarbonylContact O-C 3.48Å; N148-F151 VanDerWaalsContact O-C 3.3Å; N148-F151 WeakPolarHBondContact O-CA 3.25Å; N148-F151 PolarHBondContact O-N 2.77Å; R149-F151 VanDerWaalsContact C-N 3.27Å; F151-T153 VanDerWaalsContact C-N 3.26Å; F151-T153 PolarHBondContact O-N 3.4Å; F151-T153 VanDerWaalsContact O-N 3.17Å; F151-E154 WeakPolarHBondContact O-CB 3.29Å; F151-E154 PolarHBondContact O-N 2.94Å; F151-I155 HydrophobicContact CB-CD1 3.99Å; F151-I155 HydrophobicContact CB-CG1 4.34Å; F151-I155 WeakPolarHBondContact O-CG1 3.34Å; F151-I155 PolarHBondContact O-N 2.97Å
152	E	69.6	Low	70.8	Confident	108 Å²	108	84.6 Å²	84.6	51%	0.505	42%	0.415	S	S	.	.	H	α-helix	trans	-59.6	-36.6	-166.4	-167.3	86.1	-153	0	0	111.8	N148 A156	N148-E152 WeakPolarHBondContact O-CA 3.4Å; N148-E152 PolarHBondContact O-N 2.7Å; E152-A156 VanDerWaalsContact O-CB 3.25Å; E152-A156 WeakPolarHBondContact O-CB 3.48Å; E152-A156 PolarHBondContact O-N 3.07Å
153	T	67.9	Low	68.7	Low	116 Å²	116	85.5 Å²	85.5	71%	0.712	42%	0.42	S	S	*	.	H	α-helix	trans	-68.7	-33.5	176.2	47.2	0	0	0	0	113.3	F151 A157	F151-T153 VanDerWaalsContact C-N 3.26Å; F151-T153 PolarHBondContact O-N 3.4Å; F151-T153 VanDerWaalsContact O-N 3.17Å; T153-A157 WeakPolarHBondContact O-CB 3.42Å; T153-A157 PolarHBondContact O-N 3.46Å; T153-A157 VanDerWaalsContact O-N 3.11Å
154	E	63.6	Low	66.9	Low	72 Å²	72	89 Å²	89	34%	0.336	44%	0.437	S	S	.	.	H	α-helix	trans	-78	-39	177.9	-58.2	-178	171.5	0	0	110.6	V101 I106 F151 A157 Y158	V101-E154 WeakPolarHBondContact CG2-OE2 3.25Å; I106-E154 HydrophobicContact CD1-CB 4Å; F151-E154 WeakPolarHBondContact O-CB 3.29Å; F151-E154 PolarHBondContact O-N 2.94Å; E154-A157 PolarHBondContact O-N 2.9Å; E154-Y158 WeakPolarHBondContact O-CB 3.31Å; E154-Y158 PolarHBondContact O-N 2.84Å
155	I	65.3	Low	65.1	Low	10 Å²	10	89.8 Å²	89.8	5%	0.051	44%	0.443	C	S	.	.	H	α-helix	trans	-65.3	-39.7	173.5	-64.4	165.9	0	0	0	110.8	I106 L109 N148 F151 Y158 K159	I106-I155 HydrophobicContact CG2-CG1 4.06Å; L109-I155 HydrophobicContact CB-CD1 4.14Å; L109-I155 HydrophobicContact CD1-CD1 4.44Å; N148-I155 HydrophobicContact CB-CD1 3.91Å; F151-I155 HydrophobicContact CB-CD1 3.99Å; F151-I155 HydrophobicContact CB-CG1 4.34Å; F151-I155 WeakPolarHBondContact O-CG1 3.34Å; F151-I155 PolarHBondContact O-N 2.97Å; I155-Y158 PolarHBondContact O-N 2.86Å; I155-K159 HydrophobicContact CG2-CD 4.49Å; I155-K159 WeakPolarHBondContact O-CB 3.41Å; I155-K159 WeakPolarHBondContact O-CG 3.36Å; I155-K159 PolarHBondContact O-N 2.94Å
156	A	65	Low	63.2	Low	46 Å²	46	87.3 Å²	87.3	38%	0.38	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-50.2	174.4	0	0	0	0	0	111.6	E152 Y158 K159 E160	E152-A156 VanDerWaalsContact O-CB 3.25Å; E152-A156 WeakPolarHBondContact O-CB 3.48Å; E152-A156 PolarHBondContact O-N 3.07Å; A156-Y158 VanDerWaalsContact C-N 3.29Å; A156-Y158 PolarHBondContact O-N 3.13Å; A156-K159 CarbonylContact O-C 3.52Å; A156-K159 PolarHBondContact O-N 3.41Å; A156-E160 WeakPolarHBondContact O-CG 3.19Å; A156-E160 PolarHBondContact O-N 3.09Å
157	A	66.8	Low	61	Low	56 Å²	56	84.7 Å²	84.7	46%	0.463	44%	0.438	S	S	.	.	H	α-helix	trans	-58.3	-39.8	176.9	0	0	0	0	0	112.5	T153 E154 K159 E160 N161	T153-A157 WeakPolarHBondContact O-CB 3.42Å; T153-A157 PolarHBondContact O-N 3.46Å; T153-A157 VanDerWaalsContact O-N 3.11Å; E154-A157 PolarHBondContact O-N 2.9Å; A157-K159 VanDerWaalsContact C-N 3.35Å; A157-K159 PolarHBondContact O-N 2.86Å; A157-E160 PolarHBondContact O-N 2.71Å; A157-N161 PolarHBondContact O-N 2.85Å; A157-N161 VanDerWaalsContact O-N 3.13Å
158	Y	59.8	Low	59.1	Low	46 Å²	46	88.6 Å²	88.6	18%	0.18	46%	0.458	C	S	.	.	H	α-helix	trans	-68.4	-30.8	175.8	-165	-105.4	0	0	0	113.2	I106 R107 E154 I155 A156 S165	I106-Y158 HydrophobicContact CG2-CD1 4.33Å; I106-Y158 HydrophobicContact CG2-CG 4.03Å; R107-Y158 HydrophobicContact CB-CE1 3.88Å; R107-Y158 WeakPolarHBondContact CD-OH 3.32Å; R107-Y158 HydrophobicContact CG-CE1 4.21Å; E154-Y158 WeakPolarHBondContact O-CB 3.31Å; E154-Y158 PolarHBondContact O-N 2.84Å; I155-Y158 PolarHBondContact O-N 2.86Å; A156-Y158 VanDerWaalsContact C-N 3.29Å; A156-Y158 PolarHBondContact O-N 3.13Å; Y158-S165 WeakPolarHBondContact CE2-OG 3.36Å; Y158-S165 PolarHBondContact OH-OG 3.23Å
159	K	63.8	Low	57.5	Low	87 Å²	87	93.9 Å²	93.9	38%	0.378	48%	0.483	S	S	.	.	H	α-helix	trans	-78.7	-22	173.3	-76.7	-172.9	169.2	-169.3	0	113.6	D114 I155 A156 A157	D114-K159 IonicContact OD1-NZ 3.79Å; D114-K159 PolarHBondContact OD1-NZ 3.26Å; D114-K159 VanDerWaalsContact OD2-CE 3.29Å; D114-K159 WeakPolarHBondContact OD2-CE 3.29Å; D114-K159 IonicContact OD2-NZ 3.68Å; D114-K159 PolarHBondContact OD2-NZ 3.22Å; I155-K159 HydrophobicContact CG2-CD 4.49Å; I155-K159 WeakPolarHBondContact O-CB 3.41Å; I155-K159 WeakPolarHBondContact O-CG 3.36Å; I155-K159 PolarHBondContact O-N 2.94Å; A156-K159 CarbonylContact O-C 3.52Å; A156-K159 PolarHBondContact O-N 3.41Å; A157-K159 VanDerWaalsContact C-N 3.35Å; A157-K159 PolarHBondContact O-N 2.86Å
160	E	63.1	Low	55.5	Low	159 Å²	159	92 Å²	92	74%	0.743	48%	0.482	S	S	*	.	H	α-helix	trans	-81.7	-34.5	175.6	-73.3	-179.2	168.4	0	0	112.6	A156 A157 P162	A156-E160 WeakPolarHBondContact O-CG 3.19Å; A156-E160 PolarHBondContact O-N 3.09Å; A157-E160 PolarHBondContact O-N 2.71Å; E160-P162 WeakPolarHBondContact O-CD 3.32Å
161	N	56.4	Low	53.7	Low	117 Å²	117	93.1 Å²	93.1	63%	0.626	48%	0.483	S	S	*	.			trans	-120.3	78.6	173.8	-80.5	3.3	0	0	0	113.2	A157 Q163	A157-N161 PolarHBondContact O-N 2.85Å; A157-N161 VanDerWaalsContact O-N 3.13Å; N161-Q163 VanDerWaalsContact C-N 3.29Å; N161-Q163 PolarHBondContact O-N 3.32Å
162	P	57.2	Low	52.1	Low	85 Å²	85	99.7 Å²	99.7	55%	0.552	51%	0.511	S	S	*	.			trans	-76.3	-3.9	-177.3	-18.8	34.1	0	0	0	116.2	E160	E160-P162 WeakPolarHBondContact O-CD 3.32Å
163	Q	42.5	Very low	50.5	Low	169 Å²	169	103.1 Å²	103.1	79%	0.79	53%	0.528	S	S	*	.	S	Bend	trans	-115.7	-3.9	-149.9	-151.9	168.1	-13.4	0	0	116.9	N161	N161-Q163 VanDerWaalsContact C-N 3.29Å; N161-Q163 PolarHBondContact O-N 3.32Å
164	E	45	Very low	48.8	Very low	154 Å²	154	105.2 Å²	105.2	72%	0.72	53%	0.529	S	S	*	.	S	Bend	trans	-103	-0.9	176.2	-69.3	176	143	0	0	113.6
165	S	44.5	Very low	47	Very low	19 Å²	19	110.8 Å²	110.8	13%	0.133	56%	0.555	C	S	.	*	T	Hydrogen-bonded Turn	trans	-109.5	20.1	-175.6	66.9	0	0	0	0	115	Y158	Y158-S165 WeakPolarHBondContact CE2-OG 3.36Å; Y158-S165 PolarHBondContact OH-OG 3.23Å
166	A	43.1	Very low	45.2	Very low	51 Å²	51	117.8 Å²	117.8	42%	0.421	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.2	-53.9	168.4	0	0	0	0	0	109.9	E168 E169	A166-E168 PolarHBondContact O-N 3.28Å; A166-E169 PolarHBondContact O-N 2.65Å
167	D	36	Very low	43.3	Very low	107 Å²	107	121.5 Å²	121.5	57%	0.572	62%	0.616	S	S	*	*	H	α-helix	trans	-69.6	-34.7	-168.9	-49.8	-7.6	0	0	0	112.5	E169 E170 E171	D167-E169 VanDerWaalsContact C-N 3.27Å; D167-E169 PolarHBondContact O-N 3.37Å; D167-E170 PolarHBondContact O-N 3.36Å; D167-E170 VanDerWaalsContact O-N 3.14Å; D167-E171 PolarHBondContact O-N 3.25Å; D167-E171 VanDerWaalsContact O-N 3.16Å
168	E	39.6	Very low	41.3	Very low	129 Å²	129	122.7 Å²	122.7	60%	0.603	63%	0.634	S	S	*	*	H	α-helix	trans	-66.8	-18	176.9	-77.4	-158.3	172.2	0	0	115.3	A166 K172	A166-E168 PolarHBondContact O-N 3.28Å; E168-K172 PolarHBondContact O-NZ 2.98Å
169	E	40.6	Very low	39.5	Very low	113 Å²	113	126.2 Å²	126.2	53%	0.528	67%	0.665	S	S	.	*	H	α-helix	trans	-85.7	-27.4	172.4	-71.3	-166.7	132.7	0	0	111.5	R107 A166 D167	R107-E169 IonicContact CZ-OE2 3.19Å; R107-E169 IonicContact NH1-OE2 3.43Å; R107-E169 IonicContact NH2-OE1 2.79Å; R107-E169 IonicContact NH2-OE2 3.93Å; R107-E169 PolarHBondContact NH2-OE2 3.12Å; A166-E169 PolarHBondContact O-N 2.65Å; D167-E169 VanDerWaalsContact C-N 3.27Å; D167-E169 PolarHBondContact O-N 3.37Å
170	E	36.3	Very low	37.6	Very low	140 Å²	140	127.2 Å²	127.2	65%	0.654	68%	0.683	S	S	*	*	H	α-helix	trans	-87.2	-34.7	-178.2	-66.3	-167.1	175.6	0	0	113.8	D167 K172 E173	D167-E170 PolarHBondContact O-N 3.36Å; D167-E170 VanDerWaalsContact O-N 3.14Å; E170-K172 PolarHBondContact O-N 3.36Å; E170-E173 PolarHBondContact O-N 3.33Å
171	E	32.9	Very low	35.8	Very low	149 Å²	149	124 Å²	124	70%	0.696	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-61.9	-27.2	179.5	-73.2	-169.7	151.7	0	0	113.6	D167	D167-E171 PolarHBondContact O-N 3.25Å; D167-E171 VanDerWaalsContact O-N 3.16Å
172	K	36	Very low	34.3	Very low	160 Å²	160	126 Å²	126	70%	0.696	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-83	-9	-175.4	-68.7	-171.1	-170.9	74.3	0	115.2	E168 E170	E168-K172 PolarHBondContact O-NZ 2.98Å; E170-K172 PolarHBondContact O-N 3.36Å
173	E	35.5	Very low	32.7	Very low	181 Å²	181	126.6 Å²	126.6	85%	0.846	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-95	-2.6	177.6	-62.9	-160.1	151.5	0	0	113.3	E170	E170-E173 PolarHBondContact O-N 3.33Å
174	Q	30.8	Very low	32	Very low	159 Å²	159	125.4 Å²	125.4	74%	0.743	69%	0.689	S	S	*	*	S	Bend	trans	-103	-20.5	-172.4	-61.7	-167.1	20.4	0	0	116.7
175	E	27.4	Very low	31.1	Very low	190 Å²	190	125.1 Å²	125.1	89%	0.888	69%	0.692	S	S	*	*	S	Bend	trans	-80.5	-13.8	-170.5	-73.7	-157.5	128.9	0	0	116.3
176	D	26.6	Very low	30.3	Very low	157 Å²	157	131 Å²	131	84%	0.84	72%	0.723	S	S	*	*	S	Bend	trans	-128.6	51.1	-165.9	-150.9	1.1	0	0	0	115.2
177	S	26.2	Very low	29.6	Very low	124 Å²	124	135.6 Å²	135.6	87%	0.867	74%	0.74	S	S	*	*			trans	-174	88.8	147.6	38.7	0	0	0	0	114.8
178	G	23.8	Very low	29.1	Very low	81 Å²	81	137.8 Å²	137.8	84%	0.835	75%	0.752	S	S	*	*			trans	-143.1	111.7	172.3	0	0	0	0	0	115.1
179	S	22.5	Very low	28.5	Very low	119 Å²	119	138.2 Å²	138.2	83%	0.832	76%	0.758	S	S	*	*			trans	-170.2	151.5	155.9	-150.7	0	0	0	0	112.9
180	S	23.6	Very low	27.9	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	77%	0.77	S	S	*	*			trans	57.5	107.9	-177.1	53.7	0	0	0	0	115.5
181	S	24.2	Very low	27.4	Very low	93 Å²	93	135.4 Å²	135.4	65%	0.65	77%	0.771	S	S	*	*			cis	70.7	139.3	24.6	-135.7	0	0	0	0	113.7
182	E	26.2	Very low	27	Very low	157 Å²	157	137.5 Å²	137.5	73%	0.734	78%	0.781	S	S	*	*			cis	-89.9	-146	5.8	-38.9	-41.4	-23.2	0	0	111.9
183	S	24	Very low	26.5	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	79%	0.787	S	S	*	*			cis	-179.8	153.6	3.7	32.6	0	0	0	0	107.6
184	D	26.2	Very low	26.1	Very low	143 Å²	143	135.3 Å²	135.3	77%	0.765	78%	0.781	S	S	*	*			cis	-160.4	164.2	-12.2	-68.8	-34.1	0	0	0	108.3
185	D	26.6	Very low	25.7	Very low	148 Å²	148	133.5 Å²	133.5	79%	0.791	79%	0.786	S	S	*	*			trans	8.6	153.2	159.6	-47.5	-22.3	0	0	0	123.1
186	D	28.1	Very low	25.5	Very low	144 Å²	144	129 Å²	129	77%	0.77	78%	0.781	S	S	*	*			cis	-166.1	-175.3	21.6	-139.4	-23.1	0	0	0	113.9
187	D	28.3	Very low	25.6	Very low	147 Å²	147	130.9 Å²	130.9	79%	0.786	78%	0.782	S	S	*	*			trans	79	79.6	167	-80.5	-25.3	0	0	0	121.9
188	D	25.9	Very low	25.6	Very low	153 Å²	153	130.2 Å²	130.2	82%	0.818	78%	0.777	S	S	*	*				22.8	155.7	113.9	-81.1	-1.2	0	0	0	122.9
189	D	26.4	Very low	25.5	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	78%	0.779	S	S	*	*			cis	-167.8	173.5	-2.6	171.1	37.6	0	0	0	110.6
190	V	27.6	Very low	25.9	Very low	128 Å²	128	137.7 Å²	137.7	78%	0.776	78%	0.779	S	S	*	*			trans	75.8	128.8	167.3	-161	0	0	0	0	118.1
191	G	25.7	Very low	26.1	Very low	66 Å²	66	142.8 Å²	142.8	68%	0.68	79%	0.787	S	S	*	*			cis	165.2	160.9	-5.4	0	0	0	0	0	113.6
192	E	25.4	Very low	26.3	Very low	193 Å²	193	147.8 Å²	147.8	90%	0.902	80%	0.797	S	S	*	*			trans	33.5	119.2	164.8	-62.2	-175.2	136.6	0	0	120.3
193	E	25.2	Very low	26.4	Very low	176 Å²	176	149.8 Å²	149.8	82%	0.822	80%	0.803	S	S	*	*				100.8	157.2	54.6	-94.6	-139.9	-179.5	0	0	116.3
194	V	26.8	Very low	26.8	Very low	120 Å²	120	150 Å²	150	73%	0.727	80%	0.802	S	S	*	*			trans	59.2	99.9	163.2	-69.8	0	0	0	0	123.9
195	S	22.9	Very low	26.6	Very low	120 Å²	120	152 Å²	152	84%	0.839	81%	0.807	S	S	*	*				98	160.2	107.7	-158.4	0	0	0	0	123.2
196	A	22.9	Very low	26.8	Very low	95 Å²	95	148.4 Å²	148.4	79%	0.785	81%	0.805	S	S	*	*			trans	79.9	113.9	156.4	0	0	0	0	0	121.8
197	K	28.4	Very low	27.2	Very low	198 Å²	198	147.4 Å²	147.4	86%	0.861	81%	0.806	S	S	*	*			trans	-65.8	157.9	174.7	-63.9	165.9	175	170.3	0	114.9
198	S	26.2	Very low	27	Very low	109 Å²	109	145.5 Å²	145.5	76%	0.762	80%	0.804	S	S	*	*			trans	84.4	127	143.6	78.1	0	0	0	0	121
199	F	23.6	Very low	26.9	Very low	200 Å²	200	147.1 Å²	147.1	88%	0.877	81%	0.807	S	S	*	*				-164.7	157.6	121.7	-128.6	-102.3	0	0	0	111.7
200	L	30.1	Very low	26.8	Very low	157 Å²	157	144.4 Å²	144.4	82%	0.822	80%	0.803	S	S	*	*			trans	-94.8	141.7	177.1	-75.5	76.5	0	0	0	112.2
201	K	28.3	Very low	27.1	Very low	216 Å²	216	143.5 Å²	143.5	94%	0.939	80%	0.803	S	S	*	*			trans	-160.3	157	135.4	-120.3	168	-176	173.9	0	116.3
202	K	26.8	Very low	27.2	Very low	198 Å²	198	149.3 Å²	149.3	86%	0.861	81%	0.809	S	S	*	*			trans	-75.3	150.8	-173.6	-76.3	173.2	168.3	176.3	0	114.7
203	K	29.9	Very low	27.1	Very low	198 Å²	198	148 Å²	148	86%	0.861	80%	0.801	S	S	*	*			trans	-2.6	153	130.4	-82.1	-169.8	177	-170.8	0	117.9
204	P	32.8	Very low	27.6	Very low	103 Å²	103	145.4 Å²	145.4	67%	0.669	79%	0.792	S	S	*	*			cis	-147.3	177.5	44.1	43.2	-24.1	0	0	0	119.2
205	E	21.1	Very low	27.7	Very low	187 Å²	187	148.3 Å²	148.3	87%	0.874	80%	0.795	S	S	*	*			trans	44.6	139	145.6	-72.3	155.5	-156.1	0	0	123.2
206	G	30.8	Very low	27.9	Very low	71 Å²	71	147 Å²	147	73%	0.732	79%	0.786	S	S	*	*			trans	-87.3	-174.6	167.2	0	0	0	0	0	112.8
207	P	36.7	Very low	28	Very low	124 Å²	124	147 Å²	147	81%	0.805	79%	0.786	S	S	*	*				-152.1	-155.9	68.7	42.4	-22	0	0	0	114.6
208	S	23.7	Very low	27.9	Very low	107 Å²	107	147.8 Å²	147.8	75%	0.748	79%	0.789	S	S	*	*			trans	75.1	155.7	161.3	96.1	0	0	0	0	117.8
209	E	23.5	Very low	27.8	Very low	187 Å²	187	145.5 Å²	145.5	87%	0.874	78%	0.783	S	S	*	*			cis	-154.5	178.5	-12.8	-134.5	179.9	-177.1	0	0	113.7
210	A	25	Very low	27.7	Very low	79 Å²	79	142.2 Å²	142.2	65%	0.653	79%	0.785	S	S	*	*			trans	-69.3	131.9	-179	0	0	0	0	0	113.3
211	S	33.2	Very low	27.4	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	78%	0.782	S	S	*	*				97.5	145.7	88.5	75.9	0	0	0	0	116.8
212	K	28.7	Very low	27.1	Very low	189 Å²	189	135.5 Å²	135.5	82%	0.822	78%	0.778	S	S	*	*			trans	-173.1	143.3	160.2	-107.5	165.8	-178	172.5	0	108
213	F	23.7	Very low	26.9	Very low	164 Å²	164	134.1 Å²	134.1	72%	0.719	77%	0.774	S	S	*	*			cis	-163.1	148	0.6	-157.4	-149.1	0	0	0	112
214	L	34.3	Very low	26.6	Very low	123 Å²	123	129.3 Å²	129.3	64%	0.644	77%	0.765	S	S	*	*			trans	67.5	150	166	-47.2	172.7	0	0	0	117.1
215	K	30.1	Very low	26.1	Very low	180 Å²	180	130.2 Å²	130.2	78%	0.783	77%	0.769	S	S	*	*			cis	-170.1	-171.2	-16.1	-106.7	-167.1	171.4	-177.4	0	107.3
216	S	26.1	Very low	26.2	Very low	93 Å²	93	126.4 Å²	126.4	65%	0.65	76%	0.763	S	S	*	*				176	144.7	-65.4	66.6	0	0	0	0	108.9
217	A	26.1	Very low	25.9	Very low	95 Å²	95	127.9 Å²	127.9	79%	0.785	76%	0.762	S	S	*	*			cis	-179.3	-167.3	-14.3	0	0	0	0	0	107.1
218	K	25	Very low	25.4	Very low	215 Å²	215	129.2 Å²	129.2	94%	0.935	76%	0.763	S	S	*	*			trans	101.2	121.3	152.4	-158.2	-175.3	-172.7	-172.5	0	115.4
219	G	23.3	Very low	25.6	Very low	61 Å²	61	133.2 Å²	133.2	63%	0.629	77%	0.77	S	S	*	*			cis	165.5	164.7	-7.6	0	0	0	0	0	111.8
220	S	22.7	Very low	25.9	Very low	131 Å²	131	132.3 Å²	132.3	92%	0.916	77%	0.771	S	S	*	*			trans	45.4	132.1	158.5	58	0	0	0	0	121
221	G	22.7	Very low	26.1	Very low	74 Å²	74	136.4 Å²	136.4	76%	0.763	78%	0.782	S	S	*	*			cis	157.7	155.5	-2.8	0	0	0	0	0	112.9
222	D	22.6	Very low	25.9	Very low	158 Å²	158	138.9 Å²	138.9	85%	0.845	79%	0.786	S	S	*	*			trans	47.1	113.7	162.1	-114.9	-27.2	0	0	0	121.7
223	E	22.4	Very low	26.1	Very low	168 Å²	168	137.4 Å²	137.4	79%	0.785	79%	0.788	S	S	*	*				167.1	116.6	103.9	-89.8	-158.9	-177.1	0	0	114.3
224	S	23.3	Very low	26.4	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	79%	0.792	S	S	*	*			trans	66.2	151.7	143.2	78.5	0	0	0	0	125
225	T	22.4	Very low	26.1	Very low	123 Å²	123	139.4 Å²	139.4	76%	0.755	80%	0.801	S	S	*	*			trans	97.3	123.2	154.4	66.5	0	0	0	0	123.6
226	S	23.8	Very low	26.3	Very low	107 Å²	107	141.2 Å²	141.2	75%	0.748	80%	0.803	S	S	*	*			trans	73.9	154	141.5	52.3	0	0	0	0	124.6
227	S	25	Very low	26.4	Very low	101 Å²	101	139.6 Å²	139.6	71%	0.706	80%	0.801	S	S	*	*			trans	65.7	90.6	161.9	51.4	0	0	0	0	120.3
228	D	25.6	Very low	26.4	Very low	152 Å²	152	138.6 Å²	138.6	81%	0.813	80%	0.8	S	S	*	*				36.5	135.5	108	-55.6	-46.5	0	0	0	122.9
229	E	28.9	Very low	26.3	Very low	192 Å²	192	135.7 Å²	135.7	90%	0.897	80%	0.795	S	S	*	*			trans	79.4	141.3	155.1	-67.7	176	-178.1	0	0	119.5
230	D	29.3	Very low	26.5	Very low	168 Å²	168	139 Å²	139	90%	0.898	80%	0.803	S	S	*	*			trans	-98.5	167.6	-154	-64	-74.2	0	0	0	115.6
231	D	28.8	Very low	26.8	Very low	165 Å²	165	141.4 Å²	141.4	88%	0.882	80%	0.799	S	S	*	*			trans	-66	154.4	-167.2	-68.1	-63.1	0	0	0	118.4
232	D	28.7	Very low	26.9	Very low	161 Å²	161	146.7 Å²	146.7	86%	0.861	81%	0.805	S	S	*	*			trans	-89.2	-179.3	169.4	-97.8	-36.7	0	0	0	112.9
233	D	32.9	Very low	27	Very low	158 Å²	158	145 Å²	145	85%	0.845	81%	0.805	S	S	*	*			trans	-59.8	144.9	179.8	-59.4	-63.7	0	0	0	115.6
234	E	30.1	Very low	27	Very low	174 Å²	174	140.2 Å²	140.2	81%	0.813	80%	0.801	S	S	*	*			trans	-128.4	125.2	152.1	-80.5	-157	153.2	0	0	112.5
235	D	28.4	Very low	27	Very low	155 Å²	155	140.5 Å²	140.5	83%	0.829	80%	0.802	S	S	*	*			trans	-87.1	151.1	176.4	176.7	33.3	0	0	0	111.7
236	W	34.5	Very low	27	Very low	217 Å²	217	142.7 Å²	142.7	82%	0.822	80%	0.804	S	S	*	*			trans	-140.1	82.4	-179.4	-87	88.7	0	0	0	112.7
237	G	27.5	Very low	26.9	Very low	60 Å²	60	142.6 Å²	142.6	62%	0.619	80%	0.804	S	S	*	*			trans	-76.6	158.8	144.3	0	0	0	0	0	110.4
238	G	25.9	Very low	26.8	Very low	74 Å²	74	142 Å²	142	76%	0.763	80%	0.8	S	S	*	*			cis	-179.8	-159.8	0.1	0	0	0	0	0	107.9
239	D	23.6	Very low	26.7	Very low	153 Å²	153	142.1 Å²	142.1	82%	0.818	80%	0.8	S	S	*	*			trans	-149.4	172.6	161.6	-139.4	-29.9	0	0	0	112.7
240	T	27.6	Very low	26.6	Very low	130 Å²	130	140.6 Å²	140.6	80%	0.798	80%	0.798	S	S	*	*			trans	-100.6	-177.6	-138.2	39.5	0	0	0	0	117.2
241	E	28.2	Very low	26.4	Very low	182 Å²	182	142 Å²	142	85%	0.85	80%	0.799	S	S	*	*			trans	-92.3	161.1	-161.1	-46.2	177.6	146.9	0	0	115.2
242	E	25.5	Very low	26.4	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	80%	0.799	S	S	*	*				-171.9	147.3	116.8	-108.2	-171.6	-153.2	0	0	113.4
243	S	24.1	Very low	26.3	Very low	123 Å²	123	139 Å²	139	86%	0.86	79%	0.794	S	S	*	*			trans	27.2	142.9	152	-149.3	0	0	0	0	122.8
244	G	23.1	Very low	26.2	Very low	67 Å²	67	140.8 Å²	140.8	69%	0.691	79%	0.794	S	S	*	*			cis	154.6	130.8	-3.4	0	0	0	0	0	114.6
245	S	22.7	Very low	26.1	Very low	102 Å²	102	138.4 Å²	138.4	71%	0.713	80%	0.797	S	S	*	*			trans	79.8	141.8	157.7	-139.9	0	0	0	0	124
246	E	22.2	Very low	26.3	Very low	170 Å²	170	140.6 Å²	140.6	79%	0.794	80%	0.799	S	S	*	*			trans	54.7	112.4	145.1	70.4	-153.8	101	0	0	127.5
247	S	22.2	Very low	26.3	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	79%	0.791	S	S	*	*				89.2	128.8	121.3	-158.5	0	0	0	0	124.6
248	S	23.3	Very low	26.8	Very low	89 Å²	89	140 Å²	140	62%	0.622	80%	0.804	S	S	*	*			trans	63.3	113.4	141.8	56.1	0	0	0	0	123.4
249	D	23.6	Very low	27.2	Very low	153 Å²	153	140.5 Å²	140.5	82%	0.818	80%	0.801	S	S	*	*			trans	66.5	146.4	132	-56	-21	0	0	0	124.1
250	D	25.8	Very low	27.9	Very low	160 Å²	160	139 Å²	139	86%	0.856	80%	0.798	S	S	*	*			trans	55	104.1	164.5	-68.7	-24.5	0	0	0	121.8
251	E	26.2	Very low	28.6	Very low	198 Å²	198	138.2 Å²	138.2	93%	0.925	79%	0.793	S	S	*	*				-168.6	159.1	115.8	-113.5	-167.8	-177.8	0	0	114.9	G253	E251-G253 PolarHBondContact O-N 3.41Å
252	E	27.4	Very low	28.9	Very low	189 Å²	189	139 Å²	139	88%	0.883	79%	0.794	S	S	*	*			trans	-85.3	98.3	-179.1	-64.9	-171.2	117.1	0	0	114.2
253	G	27.6	Very low	29.3	Very low	73 Å²	73	138.1 Å²	138.1	75%	0.753	79%	0.794	S	S	*	*			trans	-117.6	78.9	-169.4	0	0	0	0	0	118.4	E251 S255	E251-G253 PolarHBondContact O-N 3.41Å; G253-S255 PolarHBondContact O-N 3.05Å
254	K	30.2	Very low	29.7	Very low	196 Å²	196	141.8 Å²	141.8	85%	0.852	80%	0.795	S	S	*	*			trans	-46.5	112.7	177.9	-60.7	160.1	-174.9	106.3	0	115.8
255	S	28.4	Very low	29.9	Very low	124 Å²	124	148.3 Å²	148.3	87%	0.867	80%	0.804	S	S	*	*			trans	-97.8	86.6	164.6	49.1	0	0	0	0	112.2	G253	G253-S255 PolarHBondContact O-N 3.05Å
256	K	32.5	Very low	30.2	Very low	201 Å²	201	149.9 Å²	149.9	87%	0.874	81%	0.809	S	S	*	*			trans	-102.3	150.8	166.8	-80.7	-166.5	173.6	-173.4	0	111.4
257	S	35.8	Very low	30.4	Very low	94 Å²	94	146.7 Å²	146.7	66%	0.657	81%	0.811	S	S	*	*			trans	-64.4	155.2	-162.7	45.5	0	0	0	0	115.5	A259	S257-A259 PolarHBondContact O-N 2.98Å
258	L	36.4	Very low	30.5	Very low	170 Å²	170	145 Å²	145	89%	0.89	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	20.3	-175.3	-156.2	70.4	0	0	0	115.2
259	A	35.3	Very low	30.6	Very low	85 Å²	85	145.3 Å²	145.3	70%	0.702	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	1.5	-169.5	0	0	0	0	0	114.7	S257	S257-A259 PolarHBondContact O-N 2.98Å
260	T	37.1	Very low	30.7	Very low	121 Å²	121	144.1 Å²	144.1	74%	0.742	81%	0.812	S	S	*	*	S	Bend	trans	-108.9	0.9	-167.6	51.2	0	0	0	0	115.3
261	V	42.3	Very low	30.9	Very low	115 Å²	115	144.1 Å²	144.1	70%	0.697	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-20.5	-175.8	179.1	0	0	0	0	113.2
262	F	35.3	Very low	30.8	Very low	197 Å²	197	141.2 Å²	141.2	86%	0.864	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	16.3	-165.9	-91.3	-77.5	0	0	0	117.3
263	L	34.5	Very low	30.6	Very low	168 Å²	168	135.5 Å²	135.5	88%	0.88	79%	0.792	S	S	*	*			trans	-123.9	114.6	173.9	-88.2	169.7	0	0	0	114.4	K265	L263-K265 PolarHBondContact O-N 3.32Å
264	K	32.1	Very low	30.6	Very low	200 Å²	200	139.4 Å²	139.4	87%	0.87	80%	0.795	S	S	*	*			trans	-91	85.4	-169.5	-172.8	179.8	176.8	-179.6	0	113.2
265	K	27.7	Very low	30.4	Very low	205 Å²	205	138.9 Å²	138.9	89%	0.891	79%	0.792	S	S	*	*			trans	25.3	111.1	144.1	-172.4	-179.4	-174.6	176.4	0	118.4	L263	L263-K265 PolarHBondContact O-N 3.32Å
266	V	27.5	Very low	30.2	Very low	135 Å²	135	143.1 Å²	143.1	82%	0.818	80%	0.795	S	S	*	*			trans	-137.5	124.1	158.4	179.5	0	0	0	0	110
267	A	26.4	Very low	29.8	Very low	102 Å²	102	137.3 Å²	137.3	84%	0.843	79%	0.792	S	S	*	*			trans	53.6	156.9	170.3	0	0	0	0	0	117.7
268	G	25.8	Very low	29.3	Very low	70 Å²	70	140.1 Å²	140.1	72%	0.722	80%	0.795	S	S	*	*			cis	155.4	135.2	-1.4	0	0	0	0	0	108.7
269	A	24.3	Very low	28.8	Very low	95 Å²	95	139.3 Å²	139.3	79%	0.785	78%	0.784	S	S	*	*			trans	-54.3	159	-176.5	0	0	0	0	0	113.1
270	D	26.9	Very low	28.3	Very low	129 Å²	129	144.3 Å²	144.3	69%	0.69	79%	0.79	S	S	*	*				-161.7	-175.2	50.2	-139.9	-18.7	0	0	0	117.2
271	K	29.7	Very low	27.9	Very low	159 Å²	159	148 Å²	148	69%	0.691	80%	0.796	S	S	*	*			trans	-64.2	148.1	-161.3	-68	156.9	-160.2	92	0	120.7
272	T	24	Very low	27	Very low	137 Å²	137	151.2 Å²	151.2	84%	0.84	80%	0.8	S	S	*	*			trans	51.4	128	134.3	65.2	0	0	0	0	123.3
273	G	23.4	Very low	26.5	Very low	69 Å²	69	150 Å²	150	71%	0.711	80%	0.797	S	S	*	*				124	121.8	105.4	0	0	0	0	0	121.6
274	I	26.2	Very low	26.1	Very low	156 Å²	156	152.1 Å²	152.1	80%	0.8	80%	0.799	S	S	*	*			trans	83.7	96.3	139.5	-55.4	-179.2	0	0	0	120.9
275	K	27.6	Very low	25.8	Very low	185 Å²	185	151 Å²	151	80%	0.804	80%	0.795	S	S	*	*			trans	66.5	128.7	130.4	-64.3	-180	-175.6	171.3	0	124.2
276	K	24.2	Very low	25.7	Very low	213 Å²	213	148.2 Å²	148.2	93%	0.926	79%	0.785	S	S	*	*			trans	70.5	133.4	145.5	-71.1	-177.2	173.5	-172.3	0	120.2
277	G	23.9	Very low	25.7	Very low	78 Å²	78	153.8 Å²	153.8	80%	0.804	79%	0.791	S	S	*	*			trans	157.7	79.7	158.8	0	0	0	0	0	119.1
278	E	24.4	Very low	25.5	Very low	153 Å²	153	153 Å²	153	72%	0.715	79%	0.792	S	S	*	*			trans	8	146.4	155.9	-64	-152.1	101.7	0	0	126.3
279	K	26.3	Very low	25.5	Very low	154 Å²	154	153.4 Å²	153.4	67%	0.67	80%	0.797	S	S	*	*			trans	76.9	111.5	136.8	-75.5	162.6	-179	147.9	0	123.7
280	K	25.7	Very low	25.5	Very low	190 Å²	190	156.1 Å²	156.1	83%	0.826	80%	0.799	S	S	*	*				65.2	117.4	129.8	-70.3	-177.4	175.8	177.1	0	123.3
281	K	26.9	Very low	25.5	Very low	198 Å²	198	157 Å²	157	86%	0.861	80%	0.803	S	S	*	*			trans	45.5	114.3	133.5	-70.1	-171.7	173.2	-175.6	0	120.8
282	K	24.6	Very low	25.5	Very low	183 Å²	183	157.5 Å²	157.5	80%	0.796	81%	0.807	S	S	*	*				168.6	151.4	105	-101	-172.2	174.7	-175.2	0	114.9
283	Q	25.2	Very low	25.7	Very low	170 Å²	170	159.7 Å²	159.7	79%	0.794	81%	0.808	S	S	*	*			trans	-4.2	148.4	152.9	-61.9	163.3	-58.3	0	0	120.3
284	K	25.7	Very low	25.8	Very low	213 Å²	213	159.8 Å²	159.8	93%	0.926	81%	0.809	S	S	*	*			trans	-129.5	147.6	149.8	-154.4	170.2	-174.3	178.8	0	110
285	K	24.9	Very low	25.9	Very low	178 Å²	178	161.7 Å²	161.7	77%	0.774	81%	0.814	S	S	*	*			trans	-114.9	177.3	-172.9	-142.8	-165.5	-179.5	-100.7	0	111.3
286	E	27.1	Very low	25.8	Very low	146 Å²	146	156 Å²	156	68%	0.682	81%	0.808	S	S	*	*			trans	-62.9	163.9	-171.1	-49.9	115.7	135.3	0	0	115.1
287	R	26.4	Very low	25.9	Very low	251 Å²	251	153.4 Å²	153.4	95%	0.947	80%	0.804	S	S	*	*			trans	-136.3	135.5	146.3	-90.6	-171.8	166	-170.3	-6.2	108.4
288	G	22.4	Very low	26.4	Very low	85 Å²	85	159.2 Å²	159.2	88%	0.876	81%	0.81	S	S	*	*			trans	-109.5	179	169.6	0	0	0	0	0	112.1
289	G	25.8	Very low	26.8	Very low	80 Å²	80	160.2 Å²	160.2	83%	0.825	82%	0.821	S	S	*	*			trans	-151.3	153.2	168.6	0	0	0	0	0	107.7
290	D	24.8	Very low	27	Very low	152 Å²	152	155.7 Å²	155.7	81%	0.813	82%	0.818	S	S	*	*			trans	-146.8	177.7	-159.2	-147.2	-23.8	0	0	0	111.5
291	L	27.3	Very low	27.5	Very low	148 Å²	148	158.9 Å²	158.9	78%	0.775	83%	0.825	S	S	*	*			trans	81.3	117.1	-175.4	-48.6	168.3	0	0	0	113.1
292	Q	28.6	Very low	28.1	Very low	168 Å²	168	157.5 Å²	157.5	79%	0.785	82%	0.822	S	S	*	*			cis	79.2	137.8	37	-145.8	-176.5	2.7	0	0	111.2
293	E	28.8	Very low	28.8	Very low	184 Å²	184	158.3 Å²	158.3	86%	0.86	83%	0.825	S	S	*	*			cis	-132.3	175.7	23.6	-64.5	159	153.3	0	0	111.5
294	G	25.1	Very low	29.6	Very low	70 Å²	70	155.9 Å²	155.9	72%	0.722	82%	0.822	S	S	*	*			cis	178.8	173.5	-0.9	0	0	0	0	0	112.4
295	E	28.3	Very low	30.1	Very low	196 Å²	196	155.4 Å²	155.4	92%	0.916	82%	0.82	S	S	*	*			trans	18.4	135.4	161.6	-56.5	175.2	171.2	0	0	120.1
296	G	25.2	Very low	30.7	Very low	65 Å²	65	150.5 Å²	150.5	67%	0.67	82%	0.82	S	S	*	*			cis	147.9	168.1	2.8	0	0	0	0	0	111.3
297	D	27.8	Very low	30.9	Very low	159 Å²	159	146.9 Å²	146.9	85%	0.85	82%	0.821	S	S	*	*			cis	-165.5	148.3	-18.1	-89.8	-46.9	0	0	0	108.6
298	E	34.2	Very low	31.4	Very low	200 Å²	200	140.8 Å²	140.8	94%	0.935	81%	0.812	S	S	*	*			trans	-148.8	119.7	168.3	-143.3	175.9	-139.5	0	0	110.2
299	D	32.7	Very low	32.1	Very low	174 Å²	174	142.3 Å²	142.3	93%	0.93	81%	0.806	S	S	*	*			trans	-73.2	152.7	-178.6	-78.3	-57.6	0	0	0	112.6
300	G	30.6	Very low	32.6	Very low	60 Å²	60	145.9 Å²	145.9	62%	0.619	81%	0.806	S	S	*	*			cis	160.9	130.1	-2.5	0	0	0	0	0	111.3
301	W	36	Very low	33.4	Very low	256 Å²	256	144.8 Å²	144.8	97%	0.97	80%	0.804	S	S	*	*			trans	-130.7	108.2	170.6	-94.2	88.5	0	0	0	110.4	K303	W301-K303 PolarHBondContact O-N 2.92Å
302	E	38.5	Very low	34.1	Very low	170 Å²	170	146.9 Å²	146.9	79%	0.794	81%	0.807	S	S	*	*			trans	-74.1	109.1	-175.1	-169.8	-178.2	-168.3	0	0	111.7	V304	E302-V304 VanDerWaalsContact C-N 3.28Å; E302-V304 PolarHBondContact O-N 3.36Å
303	K	39.2	Very low	34.9	Very low	199 Å²	199	145.2 Å²	145.2	87%	0.865	80%	0.799	S	S	*	*			trans	-70.9	86.9	163.8	-89.4	-177	176.1	171.3	0	109.7	W301 K305	W301-K303 PolarHBondContact O-N 2.92Å; K303-K305 PolarHBondContact O-N 3.47Å
304	V	41.8	Very low	35.8	Very low	119 Å²	119	143.3 Å²	143.3	72%	0.721	79%	0.788	S	S	*	*			trans	-46.7	110.5	168.7	-77.5	0	0	0	0	110.1	E302 G306	E302-V304 VanDerWaalsContact C-N 3.28Å; E302-V304 PolarHBondContact O-N 3.36Å; V304-G306 PolarHBondContact O-N 2.91Å
305	K	36.1	Very low	36.7	Very low	203 Å²	203	145 Å²	145	88%	0.883	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-64.2	121.8	-177.2	-72.5	175.9	-179.8	169.9	0	108.5	K303 G307	K303-K305 PolarHBondContact O-N 3.47Å; K305-G307 PolarHBondContact O-N 2.92Å
306	G	38.1	Very low	37.9	Very low	76 Å²	76	141.2 Å²	141.2	78%	0.784	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-51.4	126	-178.2	0	0	0	0	0	110.8	V304 V308	V304-G306 PolarHBondContact O-N 2.91Å; G306-V308 PolarHBondContact O-N 2.99Å
307	G	31.6	Very low	39.1	Very low	69 Å²	69	139.5 Å²	139.5	71%	0.711	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-54.6	137.6	178.3	0	0	0	0	0	110.3	K305	K305-G307 PolarHBondContact O-N 2.92Å
308	V	36.5	Very low	40.6	Very low	124 Å²	124	133.8 Å²	133.8	75%	0.752	71%	0.709	S	S	*	*			trans	-44.5	132	171.2	-179.9	0	0	0	0	107.9	G306 L310	G306-V308 PolarHBondContact O-N 2.99Å; V308-L310 PolarHBondContact O-N 3.25Å
309	P	36.7	Very low	41.5	Very low	116 Å²	116	127.7 Å²	127.7	75%	0.753	69%	0.693	S	S	*	*			trans	-53.7	111	177.7	-25.6	34	0	0	0	108.8	V311	P309-V311 VanDerWaalsContact C-N 3.33Å; P309-V311 PolarHBondContact O-N 3.01Å
310	L	37.6	Very low	41.8	Very low	155 Å²	155	128.8 Å²	128.8	81%	0.812	69%	0.69	S	S	*	*			trans	-60.1	108.8	166.4	-88.2	80.5	0	0	0	105	V308 K312	V308-L310 PolarHBondContact O-N 3.25Å; L310-K312 VanDerWaalsContact C-N 3.32Å; L310-K312 PolarHBondContact O-N 3.27Å
311	V	40.3	Very low	42.5	Very low	129 Å²	129	129.6 Å²	129.6	78%	0.782	70%	0.698	S	S	*	*			trans	-46	112	148.5	176.4	0	0	0	0	104.1	P309 E313	P309-V311 VanDerWaalsContact C-N 3.33Å; P309-V311 PolarHBondContact O-N 3.01Å; V311-E313 PolarHBondContact O-N 3.21Å
312	K	43.1	Very low	43.5	Very low	193 Å²	193	120.8 Å²	120.8	84%	0.839	67%	0.673	S	S	*	*			trans	-64	93.9	-180	-71.3	-179.8	179.2	176.4	0	106.1	L310 K314	L310-K312 VanDerWaalsContact C-N 3.32Å; L310-K312 PolarHBondContact O-N 3.27Å; K312-K314 PolarHBondContact O-N 3.29Å; K312-K314 VanDerWaalsContact O-N 3.12Å
313	E	44.2	Very low	44.2	Very low	132 Å²	132	120 Å²	120	62%	0.617	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-49.4	123.9	170.7	-70	-172.9	107.7	0	0	106.3	V311 K316	V311-E313 PolarHBondContact O-N 3.21Å; E313-K316 WeakPolarHBondContact OE1-CE 3.28Å; E313-K316 IonicContact OE1-NZ 2.75Å; E313-K316 PolarHBondContact OE1-NZ 3.09Å; E313-K316 IonicContact OE2-NZ 2.67Å; E313-K316 PolarHBondContact OE2-NZ 3.36Å
314	K	47.9	Very low	45.3	Very low	144 Å²	144	113.1 Å²	113.1	63%	0.626	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-48.2	128.6	-176.2	-58.9	-176.1	-174.5	-176.2	0	107.9	K312 K316 E352	K312-K314 PolarHBondContact O-N 3.29Å; K312-K314 VanDerWaalsContact O-N 3.12Å; K314-K316 PolarHBondContact O-N 2.87Å; K314-E352 VanDerWaalsContact CE-OE1 3.26Å; K314-E352 WeakPolarHBondContact CE-OE1 3.39Å; K314-E352 IonicContact NZ-OE1 2.64Å; K314-E352 PolarHBondContact NZ-OE1 3.22Å
315	P	45	Very low	46.5	Very low	105 Å²	105	111.4 Å²	111.4	68%	0.682	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-51.1	116.1	-161.9	17	-31.4	0	0	0	110.3	M317	P315-M317 PolarHBondContact O-N 3.14Å
316	K	52	Low	47.9	Very low	118 Å²	118	103 Å²	103	51%	0.513	59%	0.594	S	S	.	*			trans	-63.7	107.2	-167.3	-80.6	171.9	173.3	159.3	0	109.8	E313 K314 F318	E313-K316 WeakPolarHBondContact OE1-CE 3.28Å; E313-K316 IonicContact OE1-NZ 2.75Å; E313-K316 PolarHBondContact OE1-NZ 3.09Å; E313-K316 IonicContact OE2-NZ 2.67Å; E313-K316 PolarHBondContact OE2-NZ 3.36Å; K314-K316 PolarHBondContact O-N 2.87Å; K316-F318 PolarHBondContact O-N 3.05Å; K316-F318 VanDerWaalsContact O-N 3.09Å
317	M	51.9	Low	49.6	Very low	29 Å²	29	103.6 Å²	103.6	14%	0.143	58%	0.584	C	S	.	*	S	Bend	trans	-50.2	-34.6	-173.7	-80	-79.7	-121.3	0	0	114.4	P315 K332 I336 L353 L357	P315-M317 PolarHBondContact O-N 3.14Å; M317-K332 WeakPolarHBondContact O-CE 3.13Å; M317-I336 HydrophobicContact CE-CD1 3.88Å; M317-I336 HydrophobicContact SD-CD1 4.4Å; M317-L353 HydrophobicContact CE-CB 3.76Å; M317-L353 HydrophobicContact CE-CD2 3.83Å; M317-L353 HydrophobicContact CE-CG 4.41Å; M317-L353 WeakPolarHBondContact CE-O 3.43Å; M317-L353 HydrophobicContact CG-CD2 4.23Å; M317-L353 HydrophobicContact SD-CB 4.45Å; M317-L353 HydrophobicContact SD-CD2 3.51Å; M317-L353 VanDerWaalsContact SD-CD2 3.51Å; M317-L357 HydrophobicContact CE-CB 3.84Å; M317-L357 HydrophobicContact CE-CD1 4.15Å
318	F	57.7	Low	51.9	Low	38 Å²	38	103 Å²	103	17%	0.167	57%	0.566	C	S	.	*	S	Bend	trans	-127.2	145.3	178.6	-58.1	-72.8	0	0	0	108.7	K316 V328 K332 I360	K316-F318 PolarHBondContact O-N 3.05Å; K316-F318 VanDerWaalsContact O-N 3.09Å; F318-V328 HydrophobicContact CD1-CG1 4.37Å; F318-V328 HydrophobicContact CE1-CG1 4.06Å; F318-K332 HydrophobicContact CE1-CB 3.98Å; F318-K332 HydrophobicContact CE1-CG 4Å; F318-K332 HydrophobicContact CZ-CB 4.15Å; F318-K332 HydrophobicContact CZ-CG 4.08Å; F318-I360 HydrophobicContact CD2-CD1 4.18Å; F318-I360 HydrophobicContact CE2-CD1 4.04Å; F318-I360 HydrophobicContact CE2-CG2 4.12Å
319	A	53.6	Low	53.8	Low	72 Å²	72	97.1 Å²	97.1	60%	0.595	53%	0.53	S	S	*	.			trans	-67.5	146	172.8	0	0	0	0	0	109.9	G321 T322	A319-G321 PolarHBondContact O-N 3.2Å; A319-T322 PolarHBondContact O-N 3.17Å; A319-T322 PolarHBondContact O-OG1 2.89Å
320	K	39.3	Very low	55.9	Low	197 Å²	197	93.1 Å²	93.1	86%	0.857	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	104.4	171.7	-79.7	-171.3	171.8	-173.6	0	109.2
321	G	45.3	Very low	58.1	Low	78 Å²	78	93.5 Å²	93.5	80%	0.804	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	125.5	-6.8	177.8	0	0	0	0	0	116	A319	A319-G321 PolarHBondContact O-N 3.2Å
322	T	56.4	Low	60.1	Low	71 Å²	71	89.3 Å²	89.3	44%	0.436	47%	0.47	S	S	.	.			trans	-81.3	119.6	169.5	49.6	0	0	0	0	110.7	A319 I324	A319-T322 PolarHBondContact O-N 3.17Å; A319-T322 PolarHBondContact O-OG1 2.89Å; T322-I324 PolarHBondContact O-N 3.38Å
323	E	54.4	Low	62	Low	153 Å²	153	80.2 Å²	80.2	72%	0.715	43%	0.431	S	S	*	.			trans	-59.3	131.2	171.4	-66.6	177.7	176.6	0	0	111.1	N325	E323-N325 PolarHBondContact O-N 3.35Å
324	I	62	Low	63.9	Low	54 Å²	54	77 Å²	77	28%	0.277	42%	0.418	S	S	.	.			trans	-85	84.6	-175.5	-51.4	174.4	0	0	0	107.8	T322 V329 I360 L366	T322-I324 PolarHBondContact O-N 3.38Å; I324-V329 HydrophobicContact CG2-CG2 3.74Å; I324-I360 HydrophobicContact CD1-CG2 3.88Å; I324-I360 HydrophobicContact CG2-CG2 4.04Å; I324-L366 HydrophobicContact CG2-CD1 3.91Å; I324-L366 WeakPolarHBondContact O-CD2 3.09Å
325	N	66	Low	65.8	Low	83 Å²	83	75.2 Å²	75.2	44%	0.444	41%	0.412	S	S	.	.			trans	-102.3	151.7	177.2	-74.3	-49	0	0	0	111.2	E323 P327 V328 V329	E323-N325 PolarHBondContact O-N 3.35Å; N325-P327 VanDerWaalsContact C-CD 3.47Å; N325-P327 VanDerWaalsContact O-N 3.16Å; N325-V328 HydrophobicContact CB-CG2 4.27Å; N325-V328 WeakPolarHBondContact O-CA 3.44Å; N325-V328 WeakPolarHBondContact O-CB 3.39Å; N325-V328 PolarHBondContact O-N 2.97Å; N325-V329 PolarHBondContact O-N 3.17Å
326	V	65.3	Low	67.6	Low	28 Å²	28	70.9 Å²	70.9	17%	0.17	38%	0.383	C	S	.	.	H	α-helix	trans	-43.3	-49.9	-178.9	165.5	0	0	0	0	114	V328 V329 V330 L366 I370 I432	V326-V328 VanDerWaalsContact C-N 3.26Å; V326-V328 PolarHBondContact O-N 3.34Å; V326-V329 PolarHBondContact O-N 3.23Å; V326-V330 HydrophobicContact CG1-CG2 4.49Å; V326-V330 WeakPolarHBondContact O-CG2 3.34Å; V326-V330 PolarHBondContact O-N 3.15Å; V326-L366 HydrophobicContact CB-CD2 4.46Å; V326-L366 HydrophobicContact CG2-CB 4.28Å; V326-L366 HydrophobicContact CG2-CD2 3.74Å; V326-L366 WeakPolarHBondContact CG2-O 3.47Å; V326-I370 HydrophobicContact CB-CD1 3.94Å; V326-I370 HydrophobicContact CG1-CD1 3.42Å; V326-I370 VanDerWaalsContact CG1-CD1 3.42Å; V326-I370 HydrophobicContact CG2-CD1 3.62Å; V326-I432 HydrophobicContact CG1-CD1 4.13Å; V326-I432 HydrophobicContact CG1-CG1 3.9Å
327	P	74.9	Confident	69	Low	87 Å²	87	68.4 Å²	68.4	57%	0.565	38%	0.375	S	S	*	.	H	α-helix	trans	-67	-26.2	-178.5	-20.1	34.5	0	0	0	113.5	N325 K331	N325-P327 VanDerWaalsContact C-CD 3.47Å; N325-P327 VanDerWaalsContact O-N 3.16Å; P327-K331 WeakPolarHBondContact O-CB 3.37Å; P327-K331 PolarHBondContact O-N 3.19Å
328	V	79.6	Confident	70.6	Confident	56 Å²	56	73.6 Å²	73.6	34%	0.339	40%	0.399	S	S	.	.	H	α-helix	trans	-72.6	-41.5	178.1	-173.3	0	0	0	0	110.1	F318 N325 V326 K331 K332	F318-V328 HydrophobicContact CD1-CG1 4.37Å; F318-V328 HydrophobicContact CE1-CG1 4.06Å; N325-V328 HydrophobicContact CB-CG2 4.27Å; N325-V328 WeakPolarHBondContact O-CA 3.44Å; N325-V328 WeakPolarHBondContact O-CB 3.39Å; N325-V328 PolarHBondContact O-N 2.97Å; V326-V328 VanDerWaalsContact C-N 3.26Å; V326-V328 PolarHBondContact O-N 3.34Å; V328-K331 PolarHBondContact O-N 2.89Å; V328-K332 WeakPolarHBondContact O-CB 3.26Å; V328-K332 PolarHBondContact O-N 3.34Å
329	V	76.9	Confident	71.9	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.006	40%	0.402	C	S	.	.	H	α-helix	trans	-66.9	-45.2	176.1	-179.1	0	0	0	0	110.8	I324 N325 V326 K331 K332 L333 L357 L366 I370 I374	I324-V329 HydrophobicContact CG2-CG2 3.74Å; N325-V329 PolarHBondContact O-N 3.17Å; V326-V329 PolarHBondContact O-N 3.23Å; V329-K331 PolarHBondContact O-N 3.44Å; V329-K332 PolarHBondContact O-N 3.35Å; V329-L333 WeakPolarHBondContact O-CB 3.43Å; V329-L333 PolarHBondContact O-N 3.37Å; V329-L357 HydrophobicContact CG1-CD2 3.86Å; V329-L357 HydrophobicContact CG1-CG 4.31Å; V329-L366 HydrophobicContact CG2-CD1 4.11Å; V329-L366 HydrophobicContact CG2-CD2 4.4Å; V329-I370 HydrophobicContact CG1-CG2 4.26Å; V329-I374 HydrophobicContact CG1-CD1 4.45Å
330	V	79.7	Confident	73.2	Confident	33 Å²	33	73.4 Å²	73.4	20%	0.2	39%	0.388	C	S	.	.	H	α-helix	trans	-61.8	-42.9	174.6	173.9	0	0	0	0	111.3	V326 K332 L333 N334 L431	V326-V330 HydrophobicContact CG1-CG2 4.49Å; V326-V330 WeakPolarHBondContact O-CG2 3.34Å; V326-V330 PolarHBondContact O-N 3.15Å; V330-K332 VanDerWaalsContact C-N 3.34Å; V330-K332 PolarHBondContact O-N 3.44Å; V330-L333 PolarHBondContact O-N 2.9Å; V330-N334 WeakPolarHBondContact O-CB 3.5Å; V330-N334 VanDerWaalsContact O-CG 3.3Å; V330-N334 PolarHBondContact O-N 3.47Å; V330-L431 HydrophobicContact CG2-CD1 4.27Å
331	K	84.8	Confident	75.1	Confident	163 Å²	163	67 Å²	67	71%	0.709	38%	0.378	S	S	*	.	H	α-helix	trans	-61.4	-39.9	175.4	-174.6	174.8	-178.9	177.9	0	112.3	P327 V328 V329 N334 E335	P327-K331 WeakPolarHBondContact O-CB 3.37Å; P327-K331 PolarHBondContact O-N 3.19Å; V328-K331 PolarHBondContact O-N 2.89Å; V329-K331 PolarHBondContact O-N 3.44Å; K331-N334 PolarHBondContact O-N 2.82Å; K331-E335 PolarHBondContact O-N 3.36Å
332	K	81.7	Confident	77	Confident	40 Å²	40	69.3 Å²	69.3	17%	0.174	37%	0.365	C	S	.	.	H	α-helix	trans	-73.4	-36.2	178.2	-167.2	52.3	159.5	-178.7	0	112.7	M317 F318 V328 V329 V330 N334 E335 I336 L357	M317-K332 WeakPolarHBondContact O-CE 3.13Å; F318-K332 HydrophobicContact CE1-CB 3.98Å; F318-K332 HydrophobicContact CE1-CG 4Å; F318-K332 HydrophobicContact CZ-CB 4.15Å; F318-K332 HydrophobicContact CZ-CG 4.08Å; V328-K332 WeakPolarHBondContact O-CB 3.26Å; V328-K332 PolarHBondContact O-N 3.34Å; V329-K332 PolarHBondContact O-N 3.35Å; V330-K332 VanDerWaalsContact C-N 3.34Å; V330-K332 PolarHBondContact O-N 3.44Å; K332-N334 VanDerWaalsContact C-N 3.34Å; K332-E335 HydrophobicContact CD-CB 4.34Å; K332-E335 WeakPolarHBondContact CD-OE2 3.37Å; K332-E335 IonicContact NZ-OE1 3.69Å; K332-E335 PolarHBondContact NZ-OE1 2.79Å; K332-E335 IonicContact NZ-OE2 2.83Å; K332-E335 PolarHBondContact NZ-OE2 3.39Å; K332-E335 WeakPolarHBondContact O-CB 3.39Å; K332-E335 PolarHBondContact O-N 3.43Å; K332-I336 HydrophobicContact CG-CD1 4.41Å; K332-I336 WeakPolarHBondContact O-CG1 3.48Å; K332-I336 PolarHBondContact O-N 3.15Å; K332-L357 HydrophobicContact CB-CD1 4.13Å; K332-L357 HydrophobicContact CG-CD1 3.98Å
333	L	83.1	Confident	78.1	Confident	3 Å²	3	76.6 Å²	76.6	2%	0.016	39%	0.391	C	S	.	.	H	α-helix	trans	-59.4	-45.6	169.9	178.9	62.5	0	0	0	110.8	V329 V330 E335 I336 L337 L354 K373 I374 N377	V329-L333 WeakPolarHBondContact O-CB 3.43Å; V329-L333 PolarHBondContact O-N 3.37Å; V330-L333 PolarHBondContact O-N 2.9Å; L333-E335 PolarHBondContact O-N 2.95Å; L333-I336 PolarHBondContact O-N 3.17Å; L333-L337 WeakPolarHBondContact O-CB 3.46Å; L333-L337 PolarHBondContact O-N 2.73Å; L333-L354 HydrophobicContact CD1-CD2 3.61Å; L333-K373 HydrophobicContact CD2-CG 4.22Å; L333-I374 HydrophobicContact CD2-CG1 4.17Å; L333-N377 HydrophobicContact CD1-CB 4.26Å
334	N	84.8	Confident	79.3	Confident	64 Å²	64	73.1 Å²	73.1	34%	0.342	40%	0.396	S	S	.	.	H	α-helix	trans	-66.4	-35.4	177.5	-70.9	-4.5	0	0	0	112.6	V330 K331 K332 L337 Q338	V330-N334 WeakPolarHBondContact O-CB 3.5Å; V330-N334 VanDerWaalsContact O-CG 3.3Å; V330-N334 PolarHBondContact O-N 3.47Å; K331-N334 PolarHBondContact O-N 2.82Å; K332-N334 VanDerWaalsContact C-N 3.34Å; N334-L337 PolarHBondContact O-N 3.04Å; N334-Q338 WeakPolarHBondContact O-CB 3.4Å; N334-Q338 VanDerWaalsContact O-CG 3.26Å; N334-Q338 WeakPolarHBondContact O-CG 3.28Å; N334-Q338 PolarHBondContact O-N 3.08Å
335	E	86.7	Confident	80.2	Confident	107 Å²	107	72.8 Å²	72.8	50%	0.5	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-45.6	172.5	-168.5	-158.4	120.8	0	0	111.7	K331 K332 L333 Q338 A339	K331-E335 PolarHBondContact O-N 3.36Å; K332-E335 HydrophobicContact CD-CB 4.34Å; K332-E335 WeakPolarHBondContact CD-OE2 3.37Å; K332-E335 IonicContact NZ-OE1 3.69Å; K332-E335 PolarHBondContact NZ-OE1 2.79Å; K332-E335 IonicContact NZ-OE2 2.83Å; K332-E335 PolarHBondContact NZ-OE2 3.39Å; K332-E335 WeakPolarHBondContact O-CB 3.39Å; K332-E335 PolarHBondContact O-N 3.43Å; L333-E335 PolarHBondContact O-N 2.95Å; E335-Q338 PolarHBondContact O-N 3.07Å; E335-A339 PolarHBondContact O-N 3.15Å
336	I	83.3	Confident	81	Confident	14 Å²	14	73.5 Å²	73.5	7%	0.072	40%	0.401	C	S	.	.	H	α-helix	trans	-66.6	-41.2	176.5	-64.7	162.8	0	0	0	110.6	M317 K332 L333 Q338 A339 R340 L353 L354 L357	M317-I336 HydrophobicContact CE-CD1 3.88Å; M317-I336 HydrophobicContact SD-CD1 4.4Å; K332-I336 HydrophobicContact CG-CD1 4.41Å; K332-I336 WeakPolarHBondContact O-CG1 3.48Å; K332-I336 PolarHBondContact O-N 3.15Å; L333-I336 PolarHBondContact O-N 3.17Å; I336-Q338 PolarHBondContact O-N 3.19Å; I336-A339 WeakPolarHBondContact O-CA 3.4Å; I336-A339 VanDerWaalsContact O-CB 3.31Å; I336-A339 WeakPolarHBondContact O-CB 3.42Å; I336-A339 PolarHBondContact O-N 2.78Å; I336-R340 PolarHBondContact O-N 3.26Å; I336-L353 HydrophobicContact CD1-CB 4.38Å; I336-L354 HydrophobicContact CG2-CD2 3.95Å; I336-L354 HydrophobicContact CG2-CG 4.09Å; I336-L357 HydrophobicContact CD1-CD1 3.97Å
337	L	82.6	Confident	81.8	Confident	66 Å²	66	76.2 Å²	76.2	35%	0.346	41%	0.408	S	S	.	.	H	α-helix	trans	-66	-37	178	-171.1	60.9	0	0	0	111.9	L333 N334 A339 R340 N377	L333-L337 WeakPolarHBondContact O-CB 3.46Å; L333-L337 PolarHBondContact O-N 2.73Å; N334-L337 PolarHBondContact O-N 3.04Å; L337-A339 PolarHBondContact O-N 3.28Å; L337-R340 HydrophobicContact CD1-CB 4.45Å; L337-R340 WeakPolarHBondContact O-CB 3.28Å; L337-R340 PolarHBondContact O-N 2.71Å; L337-R340 VanDerWaalsContact O-N 3.08Å; L337-N377 WeakPolarHBondContact CD1-OD1 3.2Å
338	Q	85.3	Confident	82.2	Confident	138 Å²	138	74.1 Å²	74.1	65%	0.645	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.6	170.7	-74.9	178.2	14.5	0	0	113.4	N334 E335 I336 K342	N334-Q338 WeakPolarHBondContact O-CB 3.4Å; N334-Q338 VanDerWaalsContact O-CG 3.26Å; N334-Q338 WeakPolarHBondContact O-CG 3.28Å; N334-Q338 PolarHBondContact O-N 3.08Å; E335-Q338 PolarHBondContact O-N 3.07Å; I336-Q338 PolarHBondContact O-N 3.19Å; Q338-K342 WeakPolarHBondContact O-CD 3.48Å; Q338-K342 WeakPolarHBondContact O-CE 3.27Å; Q338-K342 PolarHBondContact O-NZ 3.03Å
339	A	83.4	Confident	82.5	Confident	29 Å²	29	73 Å²	73	24%	0.24	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-17.4	171.4	0	0	0	0	0	112.8	E335 I336 L337 T345 Q350	E335-A339 PolarHBondContact O-N 3.15Å; I336-A339 WeakPolarHBondContact O-CA 3.4Å; I336-A339 VanDerWaalsContact O-CB 3.31Å; I336-A339 WeakPolarHBondContact O-CB 3.42Å; I336-A339 PolarHBondContact O-N 2.78Å; L337-A339 PolarHBondContact O-N 3.28Å; A339-T345 HydrophobicContact CB-CG2 4.23Å; A339-T345 WeakPolarHBondContact O-CG2 3.37Å; A339-T345 PolarHBondContact O-OG1 3.18Å; A339-Q350 PolarHBondContact O-NE2 3.47Å
340	R	81.1	Confident	82.7	Confident	77 Å²	77	73.9 Å²	73.9	29%	0.291	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	141.8	179.9	-169.2	176.2	168.4	-176.2	-5.5	111.3	I336 L337 K342 A380 D384	I336-R340 PolarHBondContact O-N 3.26Å; L337-R340 HydrophobicContact CD1-CB 4.45Å; L337-R340 WeakPolarHBondContact O-CB 3.28Å; L337-R340 PolarHBondContact O-N 2.71Å; L337-R340 VanDerWaalsContact O-N 3.08Å; R340-K342 PolarHBondContact O-N 2.71Å; R340-A380 PolarHBondContact NH2-O 2.85Å; R340-D384 IonicContact CZ-OD1 2.89Å; R340-D384 IonicContact CZ-OD2 2.57Å; R340-D384 IonicContact NE-OD1 2.66Å; R340-D384 IonicContact NE-OD2 2.76Å; R340-D384 PolarHBondContact NE-OD2 3.4Å; R340-D384 IonicContact NH2-OD1 3.23Å; R340-D384 PolarHBondContact NH2-OD1 3.31Å; R340-D384 IonicContact NH2-OD2 2.78Å; R340-D384 PolarHBondContact NH2-OD2 3.46Å
341	G	80	Confident	83	Confident	62 Å²	62	73 Å²	73	64%	0.639	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	-7.5	176.3	0	0	0	0	0	117
342	K	85.3	Confident	83	Confident	126 Å²	126	69.7 Å²	69.7	55%	0.548	38%	0.38	S	S	.	.			trans	-70.8	139.9	-178	-76.3	177.2	175.1	161.5	0	112.2	Q338 R340 G344 T345	Q338-K342 WeakPolarHBondContact O-CD 3.48Å; Q338-K342 WeakPolarHBondContact O-CE 3.27Å; Q338-K342 PolarHBondContact O-NZ 3.03Å; R340-K342 PolarHBondContact O-N 2.71Å; K342-G344 VanDerWaalsContact C-N 3.32Å; K342-G344 PolarHBondContact O-N 2.78Å; K342-T345 HydrophobicContact CB-CG2 4.24Å; K342-T345 PolarHBondContact O-N 3.06Å; K342-T345 PolarHBondContact O-OG1 3.33Å
343	K	78.6	Confident	83.2	Confident	224 Å²	224	70.1 Å²	70.1	97%	0.974	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	81.9	179.7	-172.1	-175	177.8	-176.9	0	111.1
344	G	79.9	Confident	83.2	Confident	80 Å²	80	70.4 Å²	70.4	83%	0.825	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	151.6	-6.2	178.5	0	0	0	0	0	115.2	K342	K342-G344 VanDerWaalsContact C-N 3.32Å; K342-G344 PolarHBondContact O-N 2.78Å
345	T	81.1	Confident	83.2	Confident	47 Å²	47	70.5 Å²	70.5	29%	0.288	38%	0.383	S	S	.	.			trans	-89.5	136.1	178.6	53.7	0	0	0	0	112.3	A339 K342 Q350	A339-T345 HydrophobicContact CB-CG2 4.23Å; A339-T345 WeakPolarHBondContact O-CG2 3.37Å; A339-T345 PolarHBondContact O-OG1 3.18Å; K342-T345 HydrophobicContact CB-CG2 4.24Å; K342-T345 PolarHBondContact O-N 3.06Å; K342-T345 PolarHBondContact O-OG1 3.33Å; T345-Q350 PolarHBondContact OG1-NE2 3.08Å
346	D	82.8	Confident	83	Confident	98 Å²	98	67.3 Å²	67.3	52%	0.524	38%	0.375	S	S	.	.			trans	-72.5	131.5	168.4	176.6	28.6	0	0	0	111	A348 A349 Q350	D346-A348 PolarHBondContact OD1-N 2.95Å; D346-A349 HydrophobicContact CB-CB 4.02Å; D346-A349 VanDerWaalsContact OD2-CB 3.22Å; D346-A349 WeakPolarHBondContact OD2-CB 3.29Å; D346-A349 PolarHBondContact OD2-N 3.39Å; D346-Q350 WeakPolarHBondContact O-CG 3.48Å; D346-Q350 PolarHBondContact O-N 3.5Å
347	R	82.1	Confident	83	Confident	85 Å²	85	66.7 Å²	66.7	32%	0.321	37%	0.372	S	S	.	.	H	α-helix	trans	-85.6	-32.7	-177.4	-55.8	174.3	-165.1	-134.8	-4.8	111.5	Q350 I351 D384 Y385	R347-Q350 PolarHBondContact O-N 2.98Å; R347-I351 WeakPolarHBondContact O-CD1 3.45Å; R347-I351 WeakPolarHBondContact O-CG1 3.38Å; R347-I351 PolarHBondContact O-N 2.83Å; R347-D384 PolarHBondContact NH1-O 3.29Å; R347-Y385 HydrophobicContact CB-CD2 4.11Å; R347-Y385 VanDerWaalsContact CD-O 3.29Å; R347-Y385 WeakPolarHBondContact CD-O 3.35Å
348	A	84.6	Confident	82.8	Confident	44 Å²	44	64 Å²	64	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-64.3	-47.1	174.7	0	0	0	0	0	109.8	D346 Q350 I351 E352	D346-A348 PolarHBondContact OD1-N 2.95Å; A348-Q350 PolarHBondContact O-N 3.08Å; A348-I351 PolarHBondContact O-N 3.27Å; A348-E352 WeakPolarHBondContact O-CB 3.49Å; A348-E352 PolarHBondContact O-N 3.21Å
349	A	84.1	Confident	82.7	Confident	33 Å²	33	61.2 Å²	61.2	27%	0.273	35%	0.352	S	S	.	.	H	α-helix	trans	-57.3	-43.7	169.2	0	0	0	0	0	113	D346 I351 E352 L353	D346-A349 HydrophobicContact CB-CB 4.02Å; D346-A349 VanDerWaalsContact OD2-CB 3.22Å; D346-A349 WeakPolarHBondContact OD2-CB 3.29Å; D346-A349 PolarHBondContact OD2-N 3.39Å; A349-I351 PolarHBondContact O-N 2.97Å; A349-E352 PolarHBondContact O-N 3.38Å; A349-L353 VanDerWaalsContact O-CB 3.28Å; A349-L353 WeakPolarHBondContact O-CB 3.22Å; A349-L353 WeakPolarHBondContact O-CD1 3.25Å; A349-L353 WeakPolarHBondContact O-CG 3.38Å; A349-L353 PolarHBondContact O-N 2.87Å
350	Q	82.8	Confident	82.6	Confident	19 Å²	19	61.5 Å²	61.5	9%	0.089	35%	0.349	C	S	.	.	H	α-helix	trans	-59.5	-44.4	177.7	-81.1	175.3	-6.2	0	0	112.8	A339 T345 D346 R347 A348 L353 L354	A339-Q350 PolarHBondContact O-NE2 3.47Å; T345-Q350 PolarHBondContact OG1-NE2 3.08Å; D346-Q350 WeakPolarHBondContact O-CG 3.48Å; D346-Q350 PolarHBondContact O-N 3.5Å; R347-Q350 PolarHBondContact O-N 2.98Å; A348-Q350 PolarHBondContact O-N 3.08Å; Q350-L353 PolarHBondContact O-N 3.34Å; Q350-L354 VanDerWaalsContact O-CG 3.32Å; Q350-L354 WeakPolarHBondContact O-CG 3.4Å; Q350-L354 PolarHBondContact O-N 3.27Å
351	I	84.3	Confident	82.3	Confident	15 Å²	15	58 Å²	58	8%	0.077	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-47.4	175.7	-67.7	155.7	0	0	0	110.6	R347 A348 A349 L353 L354 H355 S381 L382 Y385	R347-I351 WeakPolarHBondContact O-CD1 3.45Å; R347-I351 WeakPolarHBondContact O-CG1 3.38Å; R347-I351 PolarHBondContact O-N 2.83Å; A348-I351 PolarHBondContact O-N 3.27Å; A349-I351 PolarHBondContact O-N 2.97Å; I351-L353 PolarHBondContact O-N 3.4Å; I351-L354 PolarHBondContact O-N 2.95Å; I351-H355 PolarHBondContact O-CD2 3.23Å; I351-H355 PolarHBondContact O-N 2.93Å; I351-S381 WeakPolarHBondContact CG1-OG 3.31Å; I351-L382 HydrophobicContact CD1-CD2 4.03Å; I351-L382 HydrophobicContact CG1-CD2 4.34Å; I351-L382 HydrophobicContact CG2-CD2 4Å; I351-Y385 HydrophobicContact CD1-CD2 3.72Å; I351-Y385 HydrophobicContact CD1-CG 4.25Å
352	E	86.1	Confident	82.1	Confident	92 Å²	92	57.2 Å²	57.2	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-62.9	-39.5	179.1	-178.4	169.1	-134.4	0	0	112.7	K314 A348 A349 H355 A356	K314-E352 VanDerWaalsContact CE-OE1 3.26Å; K314-E352 WeakPolarHBondContact CE-OE1 3.39Å; K314-E352 IonicContact NZ-OE1 2.64Å; K314-E352 PolarHBondContact NZ-OE1 3.22Å; A348-E352 WeakPolarHBondContact O-CB 3.49Å; A348-E352 PolarHBondContact O-N 3.21Å; A349-E352 PolarHBondContact O-N 3.38Å; E352-H355 PolarHBondContact O-N 3.41Å; E352-A356 WeakPolarHBondContact O-CB 3.46Å; E352-A356 PolarHBondContact O-N 2.94Å
353	L	84.6	Confident	81.8	Confident	49 Å²	49	58 Å²	58	26%	0.257	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-42.8	174.6	-69.7	164.9	0	0	0	110.8	M317 I336 A349 Q350 I351 A356 L357	M317-L353 HydrophobicContact CE-CB 3.76Å; M317-L353 HydrophobicContact CE-CD2 3.83Å; M317-L353 HydrophobicContact CE-CG 4.41Å; M317-L353 WeakPolarHBondContact CE-O 3.43Å; M317-L353 HydrophobicContact CG-CD2 4.23Å; M317-L353 HydrophobicContact SD-CB 4.45Å; M317-L353 HydrophobicContact SD-CD2 3.51Å; M317-L353 VanDerWaalsContact SD-CD2 3.51Å; I336-L353 HydrophobicContact CD1-CB 4.38Å; A349-L353 VanDerWaalsContact O-CB 3.28Å; A349-L353 WeakPolarHBondContact O-CB 3.22Å; A349-L353 WeakPolarHBondContact O-CD1 3.25Å; A349-L353 WeakPolarHBondContact O-CG 3.38Å; A349-L353 PolarHBondContact O-N 2.87Å; Q350-L353 PolarHBondContact O-N 3.34Å; I351-L353 PolarHBondContact O-N 3.4Å; L353-A356 PolarHBondContact O-N 2.99Å; L353-L357 WeakPolarHBondContact O-CB 3.15Å; L353-L357 PolarHBondContact O-N 2.92Å
354	L	84.3	Confident	81.4	Confident	9 Å²	9	51.1 Å²	51.1	5%	0.047	30%	0.303	C	S	.	.	H	α-helix	trans	-66.1	-39.3	176.9	-70.4	168.9	0	0	0	112.3	L333 I336 Q350 I351 L357 A358 N377 I378	L333-L354 HydrophobicContact CD1-CD2 3.61Å; I336-L354 HydrophobicContact CG2-CD2 3.95Å; I336-L354 HydrophobicContact CG2-CG 4.09Å; Q350-L354 VanDerWaalsContact O-CG 3.32Å; Q350-L354 WeakPolarHBondContact O-CG 3.4Å; Q350-L354 PolarHBondContact O-N 3.27Å; I351-L354 PolarHBondContact O-N 2.95Å; L354-L357 PolarHBondContact O-N 2.85Å; L354-A358 PolarHBondContact O-N 3.15Å; L354-N377 HydrophobicContact CD2-CB 4.45Å; L354-I378 HydrophobicContact CB-CG1 3.65Å
355	H	84.1	Confident	80.8	Confident	66 Å²	66	54.3 Å²	54.3	31%	0.306	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-43.7	171.4	-78.5	-74.8	0	0	0	112.3	I351 E352 L357 A358 V359	I351-H355 PolarHBondContact O-CD2 3.23Å; I351-H355 PolarHBondContact O-N 2.93Å; E352-H355 PolarHBondContact O-N 3.41Å; H355-L357 VanDerWaalsContact C-N 3.3Å; H355-L357 PolarHBondContact O-N 3.07Å; H355-A358 WeakPolarHBondContact O-CB 3.44Å; H355-A358 PolarHBondContact O-N 3.37Å; H355-V359 WeakPolarHBondContact O-CG2 3.37Å; H355-V359 PolarHBondContact O-N 2.9Å
356	A	83.3	Confident	79.9	Confident	40 Å²	40	53.1 Å²	53.1	33%	0.331	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-38.1	176.3	0	0	0	0	0	111.9	E352 L353 V359 I360	E352-A356 WeakPolarHBondContact O-CB 3.46Å; E352-A356 PolarHBondContact O-N 2.94Å; L353-A356 PolarHBondContact O-N 2.99Å; A356-V359 PolarHBondContact O-N 3.03Å; A356-I360 WeakPolarHBondContact O-CD1 3.33Å; A356-I360 VanDerWaalsContact O-CG1 3.28Å; A356-I360 WeakPolarHBondContact O-CG1 3.46Å; A356-I360 PolarHBondContact O-N 3.11Å
357	L	82.3	Confident	79.1	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-68.5	-33.6	175.2	-166	139.2	0	0	0	112	M317 V329 K332 I336 L353 L354 H355 A361 I374	M317-L357 HydrophobicContact CE-CB 3.84Å; M317-L357 HydrophobicContact CE-CD1 4.15Å; V329-L357 HydrophobicContact CG1-CD2 3.86Å; V329-L357 HydrophobicContact CG1-CG 4.31Å; K332-L357 HydrophobicContact CB-CD1 4.13Å; K332-L357 HydrophobicContact CG-CD1 3.98Å; I336-L357 HydrophobicContact CD1-CD1 3.97Å; L353-L357 WeakPolarHBondContact O-CB 3.15Å; L353-L357 PolarHBondContact O-N 2.92Å; L354-L357 PolarHBondContact O-N 2.85Å; H355-L357 VanDerWaalsContact C-N 3.3Å; H355-L357 PolarHBondContact O-N 3.07Å; L357-A361 VanDerWaalsContact O-CB 3.31Å; L357-A361 WeakPolarHBondContact O-CB 3.46Å; L357-A361 PolarHBondContact O-N 3.33Å; L357-I374 HydrophobicContact CD2-CD1 3.49Å; L357-I374 VanDerWaalsContact CD2-CD1 3.49Å; L357-I374 HydrophobicContact CD2-CG1 3.6Å; L357-I374 HydrophobicContact CD2-CG2 4.07Å
358	A	79.3	Confident	78.4	Confident	10 Å²	10	48.9 Å²	48.9	8%	0.083	28%	0.282	C	S	.	.	H	α-helix	trans	-67.3	-41.7	172.3	0	0	0	0	0	112.8	L354 H355 A361 A362 I374 I378	L354-A358 PolarHBondContact O-N 3.15Å; H355-A358 WeakPolarHBondContact O-CB 3.44Å; H355-A358 PolarHBondContact O-N 3.37Å; A358-A361 PolarHBondContact O-N 2.73Å; A358-A362 PolarHBondContact O-N 2.97Å; A358-I374 HydrophobicContact CB-CG2 3.78Å; A358-I378 HydrophobicContact CB-CD1 3.99Å
359	V	83.6	Confident	77.6	Confident	80 Å²	80	46.8 Å²	46.8	49%	0.485	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-48.6	174.5	172.8	0	0	0	0	110.4	H355 A356 A361 A362 E363	H355-V359 WeakPolarHBondContact O-CG2 3.37Å; H355-V359 PolarHBondContact O-N 2.9Å; A356-V359 PolarHBondContact O-N 3.03Å; V359-A361 VanDerWaalsContact C-N 3.26Å; V359-A361 PolarHBondContact O-N 2.88Å; V359-A362 PolarHBondContact O-N 3.22Å; V359-A362 VanDerWaalsContact O-N 3.13Å; V359-E363 HydrophobicContact CG1-CG 4.2Å; V359-E363 WeakPolarHBondContact O-CG 3.41Å; V359-E363 PolarHBondContact O-N 3.29Å
360	I	79.5	Confident	77.3	Confident	35 Å²	35	45.3 Å²	45.3	18%	0.179	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-35.3	177.2	-67.2	165.1	0	0	0	111.5	F318 I324 A356 N364	F318-I360 HydrophobicContact CD2-CD1 4.18Å; F318-I360 HydrophobicContact CE2-CD1 4.04Å; F318-I360 HydrophobicContact CE2-CG2 4.12Å; I324-I360 HydrophobicContact CD1-CG2 3.88Å; I324-I360 HydrophobicContact CG2-CG2 4.04Å; A356-I360 WeakPolarHBondContact O-CD1 3.33Å; A356-I360 VanDerWaalsContact O-CG1 3.28Å; A356-I360 WeakPolarHBondContact O-CG1 3.46Å; A356-I360 PolarHBondContact O-N 3.11Å; I360-N364 PolarHBondContact O-N 3.29Å; I360-N364 PolarHBondContact O-ND2 3.14Å
361	A	75.7	Confident	77.1	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-38.1	175.7	0	0	0	0	0	112.9	L357 A358 V359 N365 L366 I374	L357-A361 VanDerWaalsContact O-CB 3.31Å; L357-A361 WeakPolarHBondContact O-CB 3.46Å; L357-A361 PolarHBondContact O-N 3.33Å; A358-A361 PolarHBondContact O-N 2.73Å; V359-A361 VanDerWaalsContact C-N 3.26Å; V359-A361 PolarHBondContact O-N 2.88Å; A361-N365 PolarHBondContact O-N 3.3Å; A361-L366 PolarHBondContact O-N 2.86Å; A361-I374 HydrophobicContact CB-CD1 3.58Å
362	A	75.7	Confident	76.9	Confident	44 Å²	44	44.9 Å²	44.9	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-73.7	-44.4	176.8	0	0	0	0	0	112.5	A358 V359 N364 N365 L371	A358-A362 PolarHBondContact O-N 2.97Å; V359-A362 PolarHBondContact O-N 3.22Å; V359-A362 VanDerWaalsContact O-N 3.13Å; A362-N364 PolarHBondContact O-N 2.87Å; A362-N364 VanDerWaalsContact O-N 3.08Å; A362-N365 PolarHBondContact O-N 3.42Å; A362-N365 VanDerWaalsContact O-N 3.13Å; A362-N365 PolarHBondContact O-OD1 2.9Å; A362-L371 HydrophobicContact CB-CD1 4.06Å
363	E	78.3	Confident	76.6	Confident	143 Å²	143	41.6 Å²	41.6	67%	0.668	24%	0.235	S	C	*	.	H	α-helix	trans	-56.6	-27.4	178.1	-75.7	176.9	164	0	0	113.3	V359	V359-E363 HydrophobicContact CG1-CG 4.2Å; V359-E363 WeakPolarHBondContact O-CG 3.41Å; V359-E363 PolarHBondContact O-N 3.29Å
364	N	70.6	Confident	76.6	Confident	79 Å²	79	39.2 Å²	39.2	42%	0.422	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	7.3	-177.6	-61.4	-89.2	0	0	0	113.4	I360 A362 L366	I360-N364 PolarHBondContact O-N 3.29Å; I360-N364 PolarHBondContact O-ND2 3.14Å; A362-N364 PolarHBondContact O-N 2.87Å; A362-N364 VanDerWaalsContact O-N 3.08Å; N364-L366 VanDerWaalsContact C-N 3.3Å; N364-L366 HydrophobicContact CB-CD1 3.64Å; N364-L366 HydrophobicContact CB-CG 4.12Å; N364-L366 PolarHBondContact O-N 3.35Å; N364-L366 VanDerWaalsContact O-N 3.16Å
365	N	66.9	Low	76.5	Confident	147 Å²	147	40.1 Å²	40.1	79%	0.786	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.2	44.7	177.3	-79	-22.5	0	0	0	115.2	A361 A362 G367	A361-N365 PolarHBondContact O-N 3.3Å; A362-N365 PolarHBondContact O-N 3.42Å; A362-N365 VanDerWaalsContact O-N 3.13Å; A362-N365 PolarHBondContact O-OD1 2.9Å; N365-G367 PolarHBondContact O-N 3.49Å
366	L	62.5	Low	76.6	Confident	23 Å²	23	37.5 Å²	37.5	12%	0.12	21%	0.214	C	C	.	.			trans	-69.3	10.3	-170.8	-77.3	134.7	0	0	0	116.5	I324 V326 V329 A361 N364 I370	I324-L366 HydrophobicContact CG2-CD1 3.91Å; I324-L366 WeakPolarHBondContact O-CD2 3.09Å; V326-L366 HydrophobicContact CB-CD2 4.46Å; V326-L366 HydrophobicContact CG2-CB 4.28Å; V326-L366 HydrophobicContact CG2-CD2 3.74Å; V326-L366 WeakPolarHBondContact CG2-O 3.47Å; V329-L366 HydrophobicContact CG2-CD1 4.11Å; V329-L366 HydrophobicContact CG2-CD2 4.4Å; A361-L366 PolarHBondContact O-N 2.86Å; N364-L366 VanDerWaalsContact C-N 3.3Å; N364-L366 HydrophobicContact CB-CD1 3.64Å; N364-L366 HydrophobicContact CB-CG 4.12Å; N364-L366 PolarHBondContact O-N 3.35Å; N364-L366 VanDerWaalsContact O-N 3.16Å; L366-I370 HydrophobicContact CB-CD1 4.26Å; L366-I370 WeakPolarHBondContact O-CD1 3.43Å
367	G	65.5	Low	76.7	Confident	30 Å²	30	36.6 Å²	36.6	31%	0.309	20%	0.204	S	C	.	.			trans	101.6	130.1	-178	0	0	0	0	0	113.1	N365 G369 I370	N365-G367 PolarHBondContact O-N 3.49Å; G367-G369 VanDerWaalsContact C-N 3.29Å; G367-G369 PolarHBondContact O-N 3.37Å; G367-I370 PolarHBondContact O-N 3.49Å; G367-I370 VanDerWaalsContact O-N 3.09Å
368	Q	68.8	Low	76.9	Confident	63 Å²	63	36.6 Å²	36.6	29%	0.294	20%	0.203	S	C	.	.	H	α-helix	trans	-62.7	-31.7	-170.2	-64.3	-69.5	24.9	0	0	113.6	I370 L371 V372 H415 I418	Q368-I370 PolarHBondContact O-N 3.06Å; Q368-L371 PolarHBondContact O-N 2.96Å; Q368-L371 VanDerWaalsContact O-N 3.11Å; Q368-V372 WeakPolarHBondContact O-CG2 3.5Å; Q368-V372 PolarHBondContact O-N 2.92Å; Q368-H415 PolarHBondContact NE2-NE2 3.43Å; Q368-H415 VanDerWaalsContact NE2-NE2 3.13Å; Q368-I418 HydrophobicContact CB-CD1 4.3Å
369	G	68.1	Low	77.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.4	-33.3	176	0	0	0	0	0	113.5	G367 K373 L431	G367-G369 VanDerWaalsContact C-N 3.29Å; G367-G369 PolarHBondContact O-N 3.37Å; G369-K373 WeakPolarHBondContact O-CB 3.47Å; G369-K373 PolarHBondContact O-N 3.2Å; G369-L431 VanDerWaalsContact C-CD2 3.5Å
370	I	76.3	Confident	77.5	Confident	2 Å²	2	33 Å²	33	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-73.2	-44.5	175.4	-50.4	-180	0	0	0	110	V326 V329 L366 G367 Q368 V372 K373 I374 L431	V326-I370 HydrophobicContact CB-CD1 3.94Å; V326-I370 HydrophobicContact CG1-CD1 3.42Å; V326-I370 VanDerWaalsContact CG1-CD1 3.42Å; V326-I370 HydrophobicContact CG2-CD1 3.62Å; V329-I370 HydrophobicContact CG1-CG2 4.26Å; L366-I370 HydrophobicContact CB-CD1 4.26Å; L366-I370 WeakPolarHBondContact O-CD1 3.43Å; G367-I370 PolarHBondContact O-N 3.49Å; G367-I370 VanDerWaalsContact O-N 3.09Å; Q368-I370 PolarHBondContact O-N 3.06Å; I370-V372 VanDerWaalsContact C-N 3.33Å; I370-V372 PolarHBondContact O-N 2.7Å; I370-K373 CarbonylContact O-C 3.56Å; I370-K373 PolarHBondContact O-N 3.42Å; I370-K373 VanDerWaalsContact O-N 3.1Å; I370-I374 HydrophobicContact CG2-CD1 3.82Å; I370-I374 HydrophobicContact CG2-CG1 4.31Å; I370-I374 WeakPolarHBondContact O-CD1 3.41Å; I370-I374 VanDerWaalsContact O-CG1 3.24Å; I370-I374 WeakPolarHBondContact O-CG1 3.47Å; I370-I374 PolarHBondContact O-N 3.23Å; I370-L431 HydrophobicContact CG1-CB 4.29Å; I370-L431 HydrophobicContact CG1-CD2 4.33Å
371	L	78.4	Confident	77.7	Confident	26 Å²	26	31.8 Å²	31.8	14%	0.136	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-44.3	179.4	-165.1	154.4	0	0	0	110.8	A362 Q368 I374 K375 I411	A362-L371 HydrophobicContact CB-CD1 4.06Å; Q368-L371 PolarHBondContact O-N 2.96Å; Q368-L371 VanDerWaalsContact O-N 3.11Å; L371-I374 PolarHBondContact O-N 3.07Å; L371-K375 HydrophobicContact CD2-CG 4.02Å; L371-K375 VanDerWaalsContact O-CG 3.32Å; L371-K375 WeakPolarHBondContact O-CG 3.23Å; L371-K375 PolarHBondContact O-N 2.73Å; L371-I411 HydrophobicContact CD2-CD1 3.5Å
372	V	80.1	Confident	78.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.8	-47.5	170.3	169.4	0	0	0	0	111.6	Q368 I370 I374 K375 F376 L408 I411 I418 I420 V440	Q368-V372 WeakPolarHBondContact O-CG2 3.5Å; Q368-V372 PolarHBondContact O-N 2.92Å; I370-V372 VanDerWaalsContact C-N 3.33Å; I370-V372 PolarHBondContact O-N 2.7Å; V372-I374 VanDerWaalsContact C-N 3.31Å; V372-I374 PolarHBondContact O-N 3.36Å; V372-K375 PolarHBondContact O-N 3.25Å; V372-F376 HydrophobicContact CG1-CD2 3.9Å; V372-F376 HydrophobicContact CG1-CE2 3.55Å; V372-F376 HydrophobicContact CG1-CZ 4.28Å; V372-F376 WeakPolarHBondContact O-CD2 3.35Å; V372-F376 PolarHBondContact O-N 2.84Å; V372-L408 HydrophobicContact CG1-CD1 4.05Å; V372-L408 HydrophobicContact CG2-CD1 4.47Å; V372-I411 HydrophobicContact CG2-CG2 3.82Å; V372-I418 HydrophobicContact CG2-CD1 4.17Å; V372-I420 HydrophobicContact CG1-CD1 3.92Å; V372-V440 HydrophobicContact CG1-CG1 4.17Å
373	K	80.9	Confident	78.8	Confident	22 Å²	22	30.4 Å²	30.4	10%	0.096	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-31.9	177.3	-172.7	161.8	175.3	162.8	0	113.1	L333 G369 I370 N377 E429 V440	L333-K373 HydrophobicContact CD2-CG 4.22Å; G369-K373 WeakPolarHBondContact O-CB 3.47Å; G369-K373 PolarHBondContact O-N 3.2Å; I370-K373 CarbonylContact O-C 3.56Å; I370-K373 PolarHBondContact O-N 3.42Å; I370-K373 VanDerWaalsContact O-N 3.1Å; K373-N377 PolarHBondContact O-N 2.68Å; K373-N377 PolarHBondContact O-ND2 3.49Å; K373-E429 IonicContact NZ-OE1 3.54Å; K373-E429 PolarHBondContact NZ-OE1 3.11Å; K373-E429 IonicContact NZ-OE2 3.49Å; K373-E429 PolarHBondContact NZ-OE2 3.26Å; K373-V440 HydrophobicContact CB-CG1 4.01Å
374	I	83.6	Confident	79.2	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-71.1	-46.6	173	-60.5	155.3	0	0	0	110.3	V329 L333 L357 A358 A361 I370 L371 V372 F376 N377 I378	V329-I374 HydrophobicContact CG1-CD1 4.45Å; L333-I374 HydrophobicContact CD2-CG1 4.17Å; L357-I374 HydrophobicContact CD2-CD1 3.49Å; L357-I374 VanDerWaalsContact CD2-CD1 3.49Å; L357-I374 HydrophobicContact CD2-CG1 3.6Å; L357-I374 HydrophobicContact CD2-CG2 4.07Å; A358-I374 HydrophobicContact CB-CG2 3.78Å; A361-I374 HydrophobicContact CB-CD1 3.58Å; I370-I374 HydrophobicContact CG2-CD1 3.82Å; I370-I374 HydrophobicContact CG2-CG1 4.31Å; I370-I374 WeakPolarHBondContact O-CD1 3.41Å; I370-I374 VanDerWaalsContact O-CG1 3.24Å; I370-I374 WeakPolarHBondContact O-CG1 3.47Å; I370-I374 PolarHBondContact O-N 3.23Å; L371-I374 PolarHBondContact O-N 3.07Å; V372-I374 VanDerWaalsContact C-N 3.31Å; V372-I374 PolarHBondContact O-N 3.36Å; I374-F376 VanDerWaalsContact C-N 3.32Å; I374-F376 PolarHBondContact O-N 2.88Å; I374-N377 CarbonylContact O-C 3.56Å; I374-N377 WeakPolarHBondContact O-CA 3.29Å; I374-N377 PolarHBondContact O-N 2.98Å; I374-I378 HydrophobicContact CG2-CD1 4.1Å; I374-I378 HydrophobicContact CG2-CG1 4.42Å; I374-I378 WeakPolarHBondContact O-CG1 3.36Å; I374-I378 PolarHBondContact O-N 3.25Å
375	K	83.6	Confident	79.8	Confident	27 Å²	27	26.3 Å²	26.3	12%	0.117	14%	0.139	C	C	.	.	H	α-helix	trans	-56.8	-42.8	176.1	-70.7	-76.7	-174.1	179	0	111.9	L371 V372 N377 I378 I379 E407 L408	L371-K375 HydrophobicContact CD2-CG 4.02Å; L371-K375 VanDerWaalsContact O-CG 3.32Å; L371-K375 WeakPolarHBondContact O-CG 3.23Å; L371-K375 PolarHBondContact O-N 2.73Å; V372-K375 PolarHBondContact O-N 3.25Å; K375-N377 VanDerWaalsContact C-N 3.33Å; K375-N377 PolarHBondContact O-N 3.23Å; K375-I378 WeakPolarHBondContact O-CB 3.36Å; K375-I378 PolarHBondContact O-N 2.73Å; K375-I379 WeakPolarHBondContact O-CG1 3.23Å; K375-I379 PolarHBondContact O-N 2.9Å; K375-E407 IonicContact NZ-OE2 3.63Å; K375-E407 PolarHBondContact NZ-OE2 3.49Å; K375-L408 HydrophobicContact CB-CD1 4.09Å
376	F	84.9	Confident	80.6	Confident	12 Å²	12	21.5 Å²	21.5	5%	0.053	11%	0.113	C	C	.	.	H	α-helix	trans	-56.8	-44.3	171.9	-80.1	-43.1	0	0	0	113	V372 I374 A380 L408 I420 V440 V444 L447	V372-F376 HydrophobicContact CG1-CD2 3.9Å; V372-F376 HydrophobicContact CG1-CE2 3.55Å; V372-F376 HydrophobicContact CG1-CZ 4.28Å; V372-F376 WeakPolarHBondContact O-CD2 3.35Å; V372-F376 PolarHBondContact O-N 2.84Å; I374-F376 VanDerWaalsContact C-N 3.32Å; I374-F376 PolarHBondContact O-N 2.88Å; F376-A380 VanDerWaalsContact O-CB 3.3Å; F376-A380 WeakPolarHBondContact O-CB 3.4Å; F376-A380 PolarHBondContact O-N 3.2Å; F376-L408 HydrophobicContact CD1-CD2 3.7Å; F376-L408 HydrophobicContact CE1-CD1 4.43Å; F376-L408 HydrophobicContact CE1-CD2 3.58Å; F376-L408 HydrophobicContact CZ-CD2 4.41Å; F376-I420 HydrophobicContact CE2-CD1 3.92Å; F376-I420 HydrophobicContact CE2-CG2 3.89Å; F376-I420 HydrophobicContact CZ-CD1 3.78Å; F376-I420 HydrophobicContact CZ-CG2 3.67Å; F376-V440 HydrophobicContact CD2-CG1 4.39Å; F376-V440 HydrophobicContact CE2-CG1 4.3Å; F376-V444 HydrophobicContact CE1-CG2 3.96Å; F376-V444 HydrophobicContact CZ-CG2 3.83Å; F376-L447 HydrophobicContact CD1-CD1 3.27Å; F376-L447 HydrophobicContact CE1-CD1 3.59Å; F376-L447 HydrophobicContact CG-CD1 4.39Å
377	N	85.6	Confident	81.3	Confident	21 Å²	21	24.9 Å²	24.9	11%	0.112	14%	0.136	C	C	.	.	H	α-helix	trans	-71.1	-31.2	178	-79.2	-73.9	0	0	0	112.8	L333 L337 L354 K373 I374 K375 S381	L333-N377 HydrophobicContact CD1-CB 4.26Å; L337-N377 WeakPolarHBondContact CD1-OD1 3.2Å; L354-N377 HydrophobicContact CD2-CB 4.45Å; K373-N377 PolarHBondContact O-N 2.68Å; K373-N377 PolarHBondContact O-ND2 3.49Å; I374-N377 CarbonylContact O-C 3.56Å; I374-N377 WeakPolarHBondContact O-CA 3.29Å; I374-N377 PolarHBondContact O-N 2.98Å; K375-N377 VanDerWaalsContact C-N 3.33Å; K375-N377 PolarHBondContact O-N 3.23Å; N377-S381 VanDerWaalsContact O-CB 3.27Å; N377-S381 WeakPolarHBondContact O-CB 3.35Å; N377-S381 PolarHBondContact O-N 2.93Å; N377-S381 PolarHBondContact O-OG 3.48Å
378	I	87.5	Confident	82.1	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-56.4	170.5	-69.9	167.7	0	0	0	109.7	L354 A358 I374 K375 A380 S381 L382	L354-I378 HydrophobicContact CB-CG1 3.65Å; A358-I378 HydrophobicContact CB-CD1 3.99Å; I374-I378 HydrophobicContact CG2-CD1 4.1Å; I374-I378 HydrophobicContact CG2-CG1 4.42Å; I374-I378 WeakPolarHBondContact O-CG1 3.36Å; I374-I378 PolarHBondContact O-N 3.25Å; K375-I378 WeakPolarHBondContact O-CB 3.36Å; K375-I378 PolarHBondContact O-N 2.73Å; I378-A380 VanDerWaalsContact C-N 3.31Å; I378-A380 PolarHBondContact O-N 3.46Å; I378-S381 CarbonylContact O-C 3.56Å; I378-S381 WeakPolarHBondContact O-CA 2.96Å; I378-S381 PolarHBondContact O-N 3Å; I378-S381 PolarHBondContact O-OG 3.42Å; I378-L382 HydrophobicContact CG2-CD1 4.05Å; I378-L382 HydrophobicContact CG2-CG 4.49Å; I378-L382 WeakPolarHBondContact O-CG 3.22Å; I378-L382 PolarHBondContact O-N 2.77Å
379	I	87.4	Confident	82.4	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-43.7	-178.8	-60.1	158.1	0	0	0	110.6	K375 S381 L382 Y383 C404 I405 L408 L447	K375-I379 WeakPolarHBondContact O-CG1 3.23Å; K375-I379 PolarHBondContact O-N 2.9Å; I379-S381 VanDerWaalsContact C-N 3.32Å; I379-S381 PolarHBondContact O-N 3.28Å; I379-L382 WeakPolarHBondContact O-CB 3.26Å; I379-L382 PolarHBondContact O-N 2.99Å; I379-Y383 HydrophobicContact CG2-CD2 4.26Å; I379-Y383 HydrophobicContact CG2-CE2 3.64Å; I379-Y383 WeakPolarHBondContact O-CD2 3.46Å; I379-Y383 PolarHBondContact O-N 3.49Å; I379-Y383 VanDerWaalsContact O-N 3.14Å; I379-C404 HydrophobicContact CG1-CB 3.89Å; I379-I405 HydrophobicContact CD1-CG1 3.82Å; I379-I405 HydrophobicContact CG1-CG1 4.17Å; I379-I405 HydrophobicContact CG2-CD1 4.24Å; I379-I405 HydrophobicContact CG2-CG1 4.08Å; I379-L408 HydrophobicContact CD1-CB 4.35Å; I379-L408 HydrophobicContact CD1-CD2 3.49Å; I379-L408 VanDerWaalsContact CD1-CD2 3.49Å; I379-L447 HydrophobicContact CG2-CD2 4.03Å
380	A	86.8	Confident	82.5	Confident	16 Å²	16	31 Å²	31	13%	0.132	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-34.6	176	0	0	0	0	0	112.9	R340 F376 I378 D384	R340-A380 PolarHBondContact NH2-O 2.85Å; F376-A380 VanDerWaalsContact O-CB 3.3Å; F376-A380 WeakPolarHBondContact O-CB 3.4Å; F376-A380 PolarHBondContact O-N 3.2Å; I378-A380 VanDerWaalsContact C-N 3.31Å; I378-A380 PolarHBondContact O-N 3.46Å; A380-D384 PolarHBondContact O-N 3.48Å; A380-D384 VanDerWaalsContact O-N 3.17Å
381	S	85.3	Confident	82.7	Confident	8 Å²	8	32 Å²	32	6%	0.056	18%	0.175	C	C	.	.	H	α-helix	trans	-73.6	-29	174.1	75.1	0	0	0	0	113.7	I351 N377 I378 I379 D384 Y385	I351-S381 WeakPolarHBondContact CG1-OG 3.31Å; N377-S381 VanDerWaalsContact O-CB 3.27Å; N377-S381 WeakPolarHBondContact O-CB 3.35Å; N377-S381 PolarHBondContact O-N 2.93Å; N377-S381 PolarHBondContact O-OG 3.48Å; I378-S381 CarbonylContact O-C 3.56Å; I378-S381 WeakPolarHBondContact O-CA 2.96Å; I378-S381 PolarHBondContact O-N 3Å; I378-S381 PolarHBondContact O-OG 3.42Å; I379-S381 VanDerWaalsContact C-N 3.32Å; I379-S381 PolarHBondContact O-N 3.28Å; S381-D384 PolarHBondContact O-N 2.73Å; S381-Y385 PolarHBondContact O-N 3.1Å
382	L	86.4	Confident	82.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.8	-39.3	173	-73.3	168.5	0	0	0	111	I351 I378 I379 Y385 M393 C401	I351-L382 HydrophobicContact CD1-CD2 4.03Å; I351-L382 HydrophobicContact CG1-CD2 4.34Å; I351-L382 HydrophobicContact CG2-CD2 4Å; I378-L382 HydrophobicContact CG2-CD1 4.05Å; I378-L382 HydrophobicContact CG2-CG 4.49Å; I378-L382 WeakPolarHBondContact O-CG 3.22Å; I378-L382 PolarHBondContact O-N 2.77Å; I379-L382 WeakPolarHBondContact O-CB 3.26Å; I379-L382 PolarHBondContact O-N 2.99Å; L382-Y385 WeakPolarHBondContact O-CB 3.49Å; L382-Y385 PolarHBondContact O-N 2.95Å; L382-M393 WeakPolarHBondContact O-CE 3.21Å; L382-C401 HydrophobicContact CD1-CB 4.24Å
383	Y	87.8	Confident	83	Confident	20 Å²	20	35.5 Å²	35.5	8%	0.078	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-44.3	170.8	-64.6	-45.8	0	0	0	112.3	I379 Y385 M393 L447 R450 M451 E454	I379-Y383 HydrophobicContact CG2-CD2 4.26Å; I379-Y383 HydrophobicContact CG2-CE2 3.64Å; I379-Y383 WeakPolarHBondContact O-CD2 3.46Å; I379-Y383 PolarHBondContact O-N 3.49Å; I379-Y383 VanDerWaalsContact O-N 3.14Å; Y383-Y385 PolarHBondContact O-N 3.28Å; Y383-M393 HydrophobicContact CD1-CE 3.64Å; Y383-M393 HydrophobicContact CE1-CE 4.16Å; Y383-L447 HydrophobicContact CD2-CD2 4.29Å; Y383-L447 HydrophobicContact CE2-CD2 3.95Å; Y383-L447 PolarHBondContact OH-O 3.24Å; Y383-R450 HydrophobicContact CD1-CG 3.88Å; Y383-R450 HydrophobicContact CD2-CB 4.21Å; Y383-R450 HydrophobicContact CD2-CG 3.68Å; Y383-R450 HydrophobicContact CE1-CB 4.47Å; Y383-R450 HydrophobicContact CE1-CG 3.96Å; Y383-R450 HydrophobicContact CE2-CB 3.78Å; Y383-R450 HydrophobicContact CE2-CG 3.72Å; Y383-R450 HydrophobicContact CG-CG 3.77Å; Y383-M451 VanDerWaalsContact OH-CA 3.28Å; Y383-M451 WeakPolarHBondContact OH-CA 3.44Å; Y383-M451 VanDerWaalsContact OH-CB 3.32Å; Y383-M451 WeakPolarHBondContact OH-CB 3.16Å; Y383-M451 PolarHBondContact OH-N 2.93Å; Y383-M451 VanDerWaalsContact OH-N 3.15Å; Y383-E454 HydrophobicContact CD1-CG 3.8Å; Y383-E454 HydrophobicContact CE1-CG 3.85Å
384	D	85.3	Confident	83.3	Confident	60 Å²	60	41 Å²	41	32%	0.321	21%	0.214	S	C	.	.	H	α-helix	trans	-66.4	-12	176.4	-82	37.3	0	0	0	114.2	R340 R347 A380 S381 N386	R340-D384 IonicContact CZ-OD1 2.89Å; R340-D384 IonicContact CZ-OD2 2.57Å; R340-D384 IonicContact NE-OD1 2.66Å; R340-D384 IonicContact NE-OD2 2.76Å; R340-D384 PolarHBondContact NE-OD2 3.4Å; R340-D384 IonicContact NH2-OD1 3.23Å; R340-D384 PolarHBondContact NH2-OD1 3.31Å; R340-D384 IonicContact NH2-OD2 2.78Å; R340-D384 PolarHBondContact NH2-OD2 3.46Å; R347-D384 PolarHBondContact NH1-O 3.29Å; A380-D384 PolarHBondContact O-N 3.48Å; A380-D384 VanDerWaalsContact O-N 3.17Å; S381-D384 PolarHBondContact O-N 2.73Å; D384-N386 PolarHBondContact O-N 3.18Å
385	Y	84.9	Confident	83.3	Confident	75 Å²	75	43.4 Å²	43.4	29%	0.294	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-40.6	177.5	-178	-106.9	0	0	0	111.6	R347 I351 S381 L382 Y383 P387 M397	R347-Y385 HydrophobicContact CB-CD2 4.11Å; R347-Y385 VanDerWaalsContact CD-O 3.29Å; R347-Y385 WeakPolarHBondContact CD-O 3.35Å; I351-Y385 HydrophobicContact CD1-CD2 3.72Å; I351-Y385 HydrophobicContact CD1-CG 4.25Å; S381-Y385 PolarHBondContact O-N 3.1Å; L382-Y385 WeakPolarHBondContact O-CB 3.49Å; L382-Y385 PolarHBondContact O-N 2.95Å; Y383-Y385 PolarHBondContact O-N 3.28Å; Y385-P387 WeakPolarHBondContact O-CD 3.41Å; Y385-M397 HydrophobicContact CD1-CG 4.2Å; Y385-M397 HydrophobicContact CD2-CE 4.47Å; Y385-M397 HydrophobicContact CE1-CE 4.1Å; Y385-M397 HydrophobicContact CE1-CG 4.14Å; Y385-M397 HydrophobicContact CE2-CE 3.93Å
386	N	82.1	Confident	83.5	Confident	47 Å²	47	47.7 Å²	47.7	25%	0.251	26%	0.258	S	S	.	.	S	Bend	trans	-89.6	115.4	175.7	-164.5	-24.4	0	0	0	110.9	D384 N388 A391 F392	D384-N386 PolarHBondContact O-N 3.18Å; N386-N388 PolarHBondContact O-N 2.71Å; N386-N388 PolarHBondContact OD1-N 2.93Å; N386-N388 PolarHBondContact OD1-O 3.39Å; N386-A391 VanDerWaalsContact ND2-CB 3.31Å; N386-A391 WeakPolarHBondContact ND2-CB 3.4Å; N386-F392 PolarHBondContact ND2-O 3.05Å
387	P	78.9	Confident	83.5	Confident	93 Å²	93	48.7 Å²	48.7	60%	0.604	26%	0.263	S	S	*	.	S	Bend	trans	-66.5	-19.5	177.7	26	-34.3	0	0	0	114.2	Y385	Y385-P387 WeakPolarHBondContact O-CD 3.41Å
388	N	81.4	Confident	83.7	Confident	75 Å²	75	48 Å²	48	40%	0.401	26%	0.259	S	S	.	.			trans	-104	103.8	-176.6	176.7	17.5	0	0	0	109.5	N386 A390 A391	N386-N388 PolarHBondContact O-N 2.71Å; N386-N388 PolarHBondContact OD1-N 2.93Å; N386-N388 PolarHBondContact OD1-O 3.39Å; N388-A390 PolarHBondContact O-N 2.9Å; N388-A390 WeakPolarHBondContact OD1-CB 3.06Å; N388-A390 PolarHBondContact OD1-N 3.13Å; N388-A390 VanDerWaalsContact OD1-N 3.07Å; N388-A391 HydrophobicContact CB-CB 4.09Å; N388-A391 PolarHBondContact O-N 2.79Å
389	L	75.2	Confident	83.7	Confident	124 Å²	124	52.4 Å²	52.4	65%	0.649	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-22.3	176.6	-80.6	68.2	0	0	0	113.2	K457	L389-K457 WeakPolarHBondContact O-CD 3.42Å; L389-K457 PolarHBondContact O-NZ 3.39Å
390	A	70.3	Confident	83.7	Confident	23 Å²	23	57.1 Å²	57.1	19%	0.19	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	11.3	178.1	0	0	0	0	0	114.5	N388	N388-A390 PolarHBondContact O-N 2.9Å; N388-A390 WeakPolarHBondContact OD1-CB 3.06Å; N388-A390 PolarHBondContact OD1-N 3.13Å; N388-A390 VanDerWaalsContact OD1-N 3.07Å
391	A	80.1	Confident	83.8	Confident	23 Å²	23	56.4 Å²	56.4	19%	0.19	29%	0.292	C	S	.	.	S	Bend	trans	-107.2	156.8	164.6	0	0	0	0	0	109.7	N386 N388 K457	N386-A391 VanDerWaalsContact ND2-CB 3.31Å; N386-A391 WeakPolarHBondContact ND2-CB 3.4Å; N388-A391 HydrophobicContact CB-CB 4.09Å; N388-A391 PolarHBondContact O-N 2.79Å; A391-K457 PolarHBondContact O-NZ 3.39Å
392	F	81.4	Confident	83.9	Confident	92 Å²	92	56 Å²	56	40%	0.404	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-84.3	166.2	179.5	61.4	-79.9	0	0	0	112	N386 K457 I458 N461	N386-F392 PolarHBondContact ND2-O 3.05Å; F392-K457 HydrophobicContact CB-CB 4.13Å; F392-I458 HydrophobicContact CB-CG1 3.92Å; F392-I458 HydrophobicContact CD2-CG1 4.31Å; F392-N461 HydrophobicContact CD1-CB 3.37Å; F392-N461 VanDerWaalsContact CD1-CG 3.49Å; F392-N461 WeakPolarHBondContact CD1-OD1 3.39Å; F392-N461 HydrophobicContact CE1-CB 3.58Å; F392-N461 HydrophobicContact CG-CB 4.05Å; F392-N461 HydrophobicContact CZ-CB 4.38Å
393	M	84.3	Confident	84.1	Confident	7 Å²	7	59.2 Å²	59.2	3%	0.034	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-83.8	141.9	174.7	-169.2	174.1	-67	0	0	110.7	L382 Y383 M397 W398 C401 E454	L382-M393 WeakPolarHBondContact O-CE 3.21Å; Y383-M393 HydrophobicContact CD1-CE 3.64Å; Y383-M393 HydrophobicContact CE1-CE 4.16Å; M393-M397 HydrophobicContact CG-CB 3.85Å; M393-M397 VanDerWaalsContact SD-C 3.54Å; M393-M397 HydrophobicContact SD-CB 3.92Å; M393-W398 HydrophobicContact CG-CB 4.38Å; M393-W398 HydrophobicContact SD-CB 4.31Å; M393-W398 HydrophobicContact SD-CE3 4.36Å; M393-W398 PolarHBondContact SD-N 2.85Å; M393-C401 HydrophobicContact SD-CB 4.31Å; M393-E454 HydrophobicContact CE-CG 4.46Å
394	K	86.6	Confident	84	Confident	139 Å²	139	58.5 Å²	58.5	60%	0.604	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-66.9	141.8	172.2	-70.5	-166.9	173.7	-166.2	0	110.6	D396 M397 W398	K394-D396 VanDerWaalsContact C-N 3.26Å; K394-D396 PolarHBondContact O-N 3.38Å; K394-D396 VanDerWaalsContact O-N 3.12Å; K394-M397 PolarHBondContact O-N 3.37Å; K394-W398 PolarHBondContact O-N 3.31Å
395	A	84.4	Confident	84.1	Confident	50 Å²	50	55.8 Å²	55.8	41%	0.413	29%	0.29	S	S	.	.	H	α-helix	trans	-50.6	-39.4	-177	0	0	0	0	0	114.3	M397 W398 K399	A395-M397 VanDerWaalsContact C-N 3.3Å; A395-M397 PolarHBondContact O-N 3.24Å; A395-W398 PolarHBondContact O-N 3.47Å; A395-K399 PolarHBondContact O-N 3.33Å
396	D	86.3	Confident	84.3	Confident	116 Å²	116	53.7 Å²	53.7	62%	0.62	28%	0.284	S	S	*	.	H	α-helix	trans	-65	-30.2	178.5	-52.5	-52.2	0	0	0	114	K394 K400	K394-D396 VanDerWaalsContact C-N 3.26Å; K394-D396 PolarHBondContact O-N 3.38Å; K394-D396 VanDerWaalsContact O-N 3.12Å; D396-K400 WeakPolarHBondContact O-CD 3.46Å; D396-K400 VanDerWaalsContact O-CE 3.32Å; D396-K400 WeakPolarHBondContact O-CE 3.35Å; D396-K400 VanDerWaalsContact O-CG 3.26Å; D396-K400 WeakPolarHBondContact O-CG 3.44Å
397	M	86.1	Confident	84.5	Confident	34 Å²	34	55.6 Å²	55.6	17%	0.167	29%	0.291	C	S	.	.	H	α-helix	trans	-89.2	-32.6	176.9	-58.9	-54.2	-166.4	0	0	110.7	Y385 M393 K394 A395 K400 C401	Y385-M397 HydrophobicContact CD1-CG 4.2Å; Y385-M397 HydrophobicContact CD2-CE 4.47Å; Y385-M397 HydrophobicContact CE1-CE 4.1Å; Y385-M397 HydrophobicContact CE1-CG 4.14Å; Y385-M397 HydrophobicContact CE2-CE 3.93Å; M393-M397 HydrophobicContact CG-CB 3.85Å; M393-M397 VanDerWaalsContact SD-C 3.54Å; M393-M397 HydrophobicContact SD-CB 3.92Å; K394-M397 PolarHBondContact O-N 3.37Å; A395-M397 VanDerWaalsContact C-N 3.3Å; A395-M397 PolarHBondContact O-N 3.24Å; M397-K400 PolarHBondContact O-N 3.08Å; M397-K400 HydrophobicContact SD-CD 4.3Å; M397-C401 WeakPolarHBondContact O-CB 3.44Å; M397-C401 PolarHBondContact O-N 3.27Å
398	W	89.1	Confident	84.8	Confident	5 Å²	5	51.2 Å²	51.2	2%	0.019	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-51.2	173.9	176.4	-116.1	0	0	0	111.5	M393 K394 A395 K400 C401 L402 M451 E454 F455 I458 V479	M393-W398 HydrophobicContact CG-CB 4.38Å; M393-W398 HydrophobicContact SD-CB 4.31Å; M393-W398 HydrophobicContact SD-CE3 4.36Å; M393-W398 PolarHBondContact SD-N 2.85Å; K394-W398 PolarHBondContact O-N 3.31Å; A395-W398 PolarHBondContact O-N 3.47Å; W398-K400 PolarHBondContact O-N 3Å; W398-C401 WeakPolarHBondContact O-CA 3.49Å; W398-C401 VanDerWaalsContact O-CB 3.25Å; W398-C401 WeakPolarHBondContact O-CB 3.47Å; W398-C401 PolarHBondContact O-N 3.28Å; W398-L402 HydrophobicContact CH2-CD2 4.11Å; W398-L402 HydrophobicContact CZ2-CD1 4.3Å; W398-L402 HydrophobicContact CZ2-CD2 3.86Å; W398-L402 HydrophobicContact CZ2-CG 4.3Å; W398-L402 PolarHBondContact O-N 3.04Å; W398-M451 HydrophobicContact CH2-CG 3.57Å; W398-M451 VanDerWaalsContact CH2-O 3.29Å; W398-M451 WeakPolarHBondContact CH2-O 3.43Å; W398-M451 HydrophobicContact CZ3-CG 3.98Å; W398-E454 HydrophobicContact CE3-CB 4.37Å; W398-E454 HydrophobicContact CZ3-CB 3.83Å; W398-F455 HydrophobicContact CH2-CB 3.68Å; W398-F455 HydrophobicContact CZ2-CB 3.8Å; W398-F455 AromaticContact CZ2-CD2 3.83Å; W398-F455 HydrophobicContact CZ2-CD2 3.83Å; W398-F455 HydrophobicContact CZ2-CG 4.24Å; W398-I458 HydrophobicContact CB-CD1 4.28Å; W398-I458 HydrophobicContact CD2-CD1 3.67Å; W398-I458 HydrophobicContact CE3-CD1 4.01Å; W398-I458 HydrophobicContact CG-CD1 3.78Å; W398-V479 HydrophobicContact CZ2-CG2 4Å
399	K	87.1	Confident	84.9	Confident	93 Å²	93	47.7 Å²	47.7	40%	0.404	24%	0.244	S	C	.	.	H	α-helix	trans	-61.8	-45.5	179.3	-70.6	178.1	177.9	179.7	0	111.7	A395 C401 L402 D403 D475	A395-K399 PolarHBondContact O-N 3.33Å; K399-C401 PolarHBondContact O-N 2.88Å; K399-L402 PolarHBondContact O-N 2.69Å; K399-L402 VanDerWaalsContact O-N 3.16Å; K399-D403 PolarHBondContact O-N 2.96Å; K399-D403 VanDerWaalsContact O-OD2 3.1Å; K399-D475 WeakPolarHBondContact CE-OD2 3.47Å
400	K	87.4	Confident	85.5	Confident	100 Å²	100	45.3 Å²	45.3	44%	0.435	23%	0.232	S	C	.	.	H	α-helix	trans	-58.6	-33	171.9	-68.6	170.4	-167.1	164.4	0	113.4	D396 M397 W398 C404	D396-K400 WeakPolarHBondContact O-CD 3.46Å; D396-K400 VanDerWaalsContact O-CE 3.32Å; D396-K400 WeakPolarHBondContact O-CE 3.35Å; D396-K400 VanDerWaalsContact O-CG 3.26Å; D396-K400 WeakPolarHBondContact O-CG 3.44Å; M397-K400 PolarHBondContact O-N 3.08Å; M397-K400 HydrophobicContact SD-CD 4.3Å; W398-K400 PolarHBondContact O-N 3Å; K400-C404 WeakPolarHBondContact O-CB 3.45Å; K400-C404 PolarHBondContact O-N 2.91Å; K400-C404 PolarHBondContact O-SG 3.11Å
401	C	89.3	Confident	86.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68	-48.3	175.9	-162.1	0	0	0	0	110.9	L382 M393 M397 W398 K399 D403 C404 I405	L382-C401 HydrophobicContact CD1-CB 4.24Å; M393-C401 HydrophobicContact SD-CB 4.31Å; M397-C401 WeakPolarHBondContact O-CB 3.44Å; M397-C401 PolarHBondContact O-N 3.27Å; W398-C401 WeakPolarHBondContact O-CA 3.49Å; W398-C401 VanDerWaalsContact O-CB 3.25Å; W398-C401 WeakPolarHBondContact O-CB 3.47Å; W398-C401 PolarHBondContact O-N 3.28Å; K399-C401 PolarHBondContact O-N 2.88Å; C401-D403 PolarHBondContact O-N 2.66Å; C401-C404 PolarHBondContact O-N 3.2Å; C401-I405 WeakPolarHBondContact O-CD1 3.39Å; C401-I405 VanDerWaalsContact O-CG1 3.26Å; C401-I405 WeakPolarHBondContact O-CG1 3.42Å; C401-I405 PolarHBondContact O-N 2.85Å
402	L	87.6	Confident	86	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.2	-48.3	173.7	-61.5	179	0	0	0	111.1	W398 K399 C404 I405 D406 M451 D475 R478 V479 I482	W398-L402 HydrophobicContact CH2-CD2 4.11Å; W398-L402 HydrophobicContact CZ2-CD1 4.3Å; W398-L402 HydrophobicContact CZ2-CD2 3.86Å; W398-L402 HydrophobicContact CZ2-CG 4.3Å; W398-L402 PolarHBondContact O-N 3.04Å; K399-L402 PolarHBondContact O-N 2.69Å; K399-L402 VanDerWaalsContact O-N 3.16Å; L402-C404 PolarHBondContact O-N 3.38Å; L402-I405 PolarHBondContact O-N 3.17Å; L402-I405 VanDerWaalsContact O-N 3.08Å; L402-D406 PolarHBondContact O-N 3.25Å; L402-M451 HydrophobicContact CD2-CG 4.01Å; L402-M451 HydrophobicContact CD2-SD 3.59Å; L402-M451 VanDerWaalsContact CD2-SD 3.59Å; L402-D475 HydrophobicContact CD1-CB 4.47Å; L402-R478 HydrophobicContact CD1-CB 4.35Å; L402-V479 HydrophobicContact CD2-CG2 4.38Å; L402-I482 HydrophobicContact CB-CD1 4.38Å; L402-I482 HydrophobicContact CD2-CD1 3.91Å
403	D	90.1	Very high	86	Confident	67 Å²	67	43.6 Å²	43.6	36%	0.358	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-42.1	179.3	-56	-25.3	0	0	0	111.7	K399 C401 I405 D406 E407 R478	K399-D403 PolarHBondContact O-N 2.96Å; K399-D403 VanDerWaalsContact O-OD2 3.1Å; C401-D403 PolarHBondContact O-N 2.66Å; D403-I405 VanDerWaalsContact C-N 3.31Å; D403-I405 PolarHBondContact O-N 2.86Å; D403-D406 PolarHBondContact O-N 2.96Å; D403-E407 WeakPolarHBondContact O-CB 3.48Å; D403-E407 WeakPolarHBondContact O-CG 3.38Å; D403-E407 PolarHBondContact O-N 3.27Å; D403-R478 IonicContact OD1-CZ 3.75Å; D403-R478 VanDerWaalsContact OD1-CZ 3.23Å; D403-R478 IonicContact OD1-NH1 2.64Å; D403-R478 PolarHBondContact OD1-NH1 3.07Å; D403-R478 IonicContact OD1-NH2 3.54Å; D403-R478 PolarHBondContact OD1-NH2 2.94Å
404	C	86.1	Confident	86	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.034	25%	0.245	C	C	.	.	H	α-helix	trans	-68.3	-26.7	175.2	-70.5	0	0	0	0	113.6	I379 K400 C401 L402 L408	I379-C404 HydrophobicContact CG1-CB 3.89Å; K400-C404 WeakPolarHBondContact O-CB 3.45Å; K400-C404 PolarHBondContact O-N 2.91Å; K400-C404 PolarHBondContact O-SG 3.11Å; C401-C404 PolarHBondContact O-N 3.2Å; L402-C404 PolarHBondContact O-N 3.38Å; C404-L408 VanDerWaalsContact O-CB 3.25Å; C404-L408 WeakPolarHBondContact O-CB 3.39Å; C404-L408 PolarHBondContact O-N 2.9Å
405	I	87.7	Confident	85.3	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-78.2	-42.4	175.5	-69.2	163.5	0	0	0	110.3	I379 C401 L402 D403 L408 L409 V448 M451 I482	I379-I405 HydrophobicContact CD1-CG1 3.82Å; I379-I405 HydrophobicContact CG1-CG1 4.17Å; I379-I405 HydrophobicContact CG2-CD1 4.24Å; I379-I405 HydrophobicContact CG2-CG1 4.08Å; C401-I405 WeakPolarHBondContact O-CD1 3.39Å; C401-I405 VanDerWaalsContact O-CG1 3.26Å; C401-I405 WeakPolarHBondContact O-CG1 3.42Å; C401-I405 PolarHBondContact O-N 2.85Å; L402-I405 PolarHBondContact O-N 3.17Å; L402-I405 VanDerWaalsContact O-N 3.08Å; D403-I405 VanDerWaalsContact C-N 3.31Å; D403-I405 PolarHBondContact O-N 2.86Å; I405-L408 PolarHBondContact O-N 2.67Å; I405-L409 HydrophobicContact CG2-CD1 4.18Å; I405-L409 WeakPolarHBondContact O-CG 3.31Å; I405-L409 PolarHBondContact O-N 3.37Å; I405-V448 HydrophobicContact CG2-CG2 4.41Å; I405-M451 HydrophobicContact CD1-CB 4.34Å; I405-M451 HydrophobicContact CD1-CG 4.14Å; I405-M451 HydrophobicContact CD1-SD 3.78Å; I405-I482 HydrophobicContact CG2-CD1 4.29Å; I405-I482 HydrophobicContact CG2-CG2 3.65Å
406	D	88.2	Confident	84.3	Confident	31 Å²	31	49.2 Å²	49.2	17%	0.166	24%	0.24	C	C	.	.	H	α-helix	trans	-59.1	-51.2	173.9	-86.9	-48.6	0	0	0	110.9	L402 D403 L408 L409 D410 R478 R485	L402-D406 PolarHBondContact O-N 3.25Å; D403-D406 PolarHBondContact O-N 2.96Å; D406-L408 VanDerWaalsContact C-N 3.31Å; D406-L408 PolarHBondContact O-N 2.89Å; D406-L409 PolarHBondContact O-N 3.21Å; D406-L409 VanDerWaalsContact O-N 3.08Å; D406-D410 PolarHBondContact O-N 3.15Å; D406-D410 VanDerWaalsContact O-OD2 3.09Å; D406-R478 IonicContact OD2-CZ 3.98Å; D406-R478 IonicContact OD2-NE 2.67Å; D406-R478 IonicContact OD2-NH2 3.59Å; D406-R478 PolarHBondContact OD2-NH2 3.13Å; D406-R485 PolarHBondContact O-NH1 2.76Å; D406-R485 IonicContact OD1-NH1 2.64Å; D406-R485 PolarHBondContact OD1-NH1 3.44Å
407	E	86.6	Confident	83.2	Confident	87 Å²	87	49 Å²	49	41%	0.407	24%	0.239	S	C	.	.	H	α-helix	trans	-57.5	-41.1	175.8	-73.9	177	157.8	0	0	112.5	K375 D403 L409 D410 I411	K375-E407 IonicContact NZ-OE2 3.63Å; K375-E407 PolarHBondContact NZ-OE2 3.49Å; D403-E407 WeakPolarHBondContact O-CB 3.48Å; D403-E407 WeakPolarHBondContact O-CG 3.38Å; D403-E407 PolarHBondContact O-N 3.27Å; E407-L409 VanDerWaalsContact C-N 3.33Å; E407-D410 PolarHBondContact O-N 3.48Å; E407-I411 VanDerWaalsContact O-CD1 3.27Å; E407-I411 WeakPolarHBondContact O-CD1 3.33Å; E407-I411 VanDerWaalsContact O-CG1 3.3Å; E407-I411 WeakPolarHBondContact O-CG1 3.37Å; E407-I411 PolarHBondContact O-N 2.95Å; E407-I411 VanDerWaalsContact O-N 3.17Å
408	L	85.7	Confident	82.3	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-38.1	177.4	170.1	64.6	0	0	0	111.5	V372 K375 F376 I379 C404 I405 D406 L412	V372-L408 HydrophobicContact CG1-CD1 4.05Å; V372-L408 HydrophobicContact CG2-CD1 4.47Å; K375-L408 HydrophobicContact CB-CD1 4.09Å; F376-L408 HydrophobicContact CD1-CD2 3.7Å; F376-L408 HydrophobicContact CE1-CD1 4.43Å; F376-L408 HydrophobicContact CE1-CD2 3.58Å; F376-L408 HydrophobicContact CZ-CD2 4.41Å; I379-L408 HydrophobicContact CD1-CB 4.35Å; I379-L408 HydrophobicContact CD1-CD2 3.49Å; I379-L408 VanDerWaalsContact CD1-CD2 3.49Å; C404-L408 VanDerWaalsContact O-CB 3.25Å; C404-L408 WeakPolarHBondContact O-CB 3.39Å; C404-L408 PolarHBondContact O-N 2.9Å; I405-L408 PolarHBondContact O-N 2.67Å; D406-L408 VanDerWaalsContact C-N 3.31Å; D406-L408 PolarHBondContact O-N 2.89Å; L408-L412 WeakPolarHBondContact O-CB 3.44Å; L408-L412 PolarHBondContact O-N 3.11Å
409	L	83.9	Confident	81.1	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70.5	-38.4	175.5	-72	171.1	0	0	0	111.5	I405 D406 E407 L412 F413 V444 I482 R485	I405-L409 HydrophobicContact CG2-CD1 4.18Å; I405-L409 WeakPolarHBondContact O-CG 3.31Å; I405-L409 PolarHBondContact O-N 3.37Å; D406-L409 PolarHBondContact O-N 3.21Å; D406-L409 VanDerWaalsContact O-N 3.08Å; E407-L409 VanDerWaalsContact C-N 3.33Å; L409-L412 PolarHBondContact O-N 3.46Å; L409-L412 VanDerWaalsContact O-N 3.16Å; L409-F413 VanDerWaalsContact O-CD2 3.22Å; L409-F413 WeakPolarHBondContact O-CD2 3.42Å; L409-F413 PolarHBondContact O-N 2.82Å; L409-V444 HydrophobicContact CD2-CG1 4.12Å; L409-I482 HydrophobicContact CD1-CG2 4.09Å; L409-R485 HydrophobicContact CD1-CB 4Å
410	D	87.4	Confident	80	Confident	75 Å²	75	49 Å²	49	40%	0.401	24%	0.239	S	C	.	.	H	α-helix	trans	-56.2	-55.8	175.2	-67.1	-42.7	0	0	0	111.1	D406 E407 L412 F413 E414 R485	D406-D410 PolarHBondContact O-N 3.15Å; D406-D410 VanDerWaalsContact O-OD2 3.09Å; E407-D410 PolarHBondContact O-N 3.48Å; D410-L412 PolarHBondContact O-N 3.23Å; D410-L412 VanDerWaalsContact O-N 3.12Å; D410-F413 PolarHBondContact O-N 2.74Å; D410-F413 VanDerWaalsContact O-N 3.11Å; D410-E414 WeakPolarHBondContact O-CG 3.38Å; D410-E414 PolarHBondContact O-N 2.74Å; D410-R485 IonicContact OD1-CZ 3.64Å; D410-R485 IonicContact OD1-NH1 3.14Å; D410-R485 IonicContact OD1-NH2 2.68Å; D410-R485 PolarHBondContact OD1-NH2 3.01Å
411	I	82.3	Confident	78.7	Confident	24 Å²	24	44.8 Å²	44.8	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-34.3	177.4	-63.3	156.1	0	0	0	111.4	L371 V372 E407 H415	L371-I411 HydrophobicContact CD2-CD1 3.5Å; V372-I411 HydrophobicContact CG2-CG2 3.82Å; E407-I411 VanDerWaalsContact O-CD1 3.27Å; E407-I411 WeakPolarHBondContact O-CD1 3.33Å; E407-I411 VanDerWaalsContact O-CG1 3.3Å; E407-I411 WeakPolarHBondContact O-CG1 3.37Å; E407-I411 PolarHBondContact O-N 2.95Å; E407-I411 VanDerWaalsContact O-N 3.17Å; I411-H415 PolarHBondContact O-CD2 3.31Å; I411-H415 VanDerWaalsContact O-CD2 3.26Å; I411-H415 PolarHBondContact O-N 2.7Å
412	L	78.9	Confident	77.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-82.3	-23.8	-175.9	-173.2	56.5	0	0	0	113.7	L408 L409 D410 I418 I420 V444 Y489	L408-L412 WeakPolarHBondContact O-CB 3.44Å; L408-L412 PolarHBondContact O-N 3.11Å; L409-L412 PolarHBondContact O-N 3.46Å; L409-L412 VanDerWaalsContact O-N 3.16Å; D410-L412 PolarHBondContact O-N 3.23Å; D410-L412 VanDerWaalsContact O-N 3.12Å; L412-I418 HydrophobicContact CD1-CB 4.35Å; L412-I420 HydrophobicContact CD1-CD1 3.48Å; L412-I420 VanDerWaalsContact CD1-CD1 3.48Å; L412-I420 HydrophobicContact CD1-CG1 4.27Å; L412-I420 HydrophobicContact CD2-CD1 3.74Å; L412-I420 HydrophobicContact CG-CD1 4.25Å; L412-V444 HydrophobicContact CD2-CG2 3.92Å; L412-Y489 HydrophobicContact CD1-CE2 3.76Å; L412-Y489 WeakPolarHBondContact CD1-OH 3.07Å; L412-Y489 HydrophobicContact CD2-CD1 4.25Å; L412-Y489 HydrophobicContact CD2-CD2 4.2Å; L412-Y489 HydrophobicContact CD2-CE1 3.86Å; L412-Y489 HydrophobicContact CD2-CE2 3.79Å; L412-Y489 HydrophobicContact CD2-CG 4.43Å; L412-Y489 HydrophobicContact CG-CD2 3.96Å; L412-Y489 HydrophobicContact CG-CE1 4.38Å; L412-Y489 HydrophobicContact CG-CE2 3.38Å
413	F	81.8	Confident	75.7	Confident	78 Å²	78	55.6 Å²	55.6	34%	0.342	28%	0.279	S	S	.	.	H	α-helix	trans	-80.1	-36.5	168.4	-84.7	-68.4	0	0	0	112.2	L409 D410 H415 R485	L409-F413 VanDerWaalsContact O-CD2 3.22Å; L409-F413 WeakPolarHBondContact O-CD2 3.42Å; L409-F413 PolarHBondContact O-N 2.82Å; D410-F413 PolarHBondContact O-N 2.74Å; D410-F413 VanDerWaalsContact O-N 3.11Å; F413-H415 VanDerWaalsContact C-N 3.33Å; F413-H415 PolarHBondContact O-N 2.73Å; F413-R485 HydrophobicContact CE2-CB 4.14Å; F413-R485 VanDerWaalsContact CZ-O 3.25Å; F413-R485 WeakPolarHBondContact CZ-O 3.32Å
414	E	82.7	Confident	74.2	Confident	134 Å²	134	53.7 Å²	53.7	63%	0.626	27%	0.269	S	S	*	.	H	α-helix	trans	-63.8	-36.2	174.6	-71.4	-176.9	168.8	0	0	112.5	D410	D410-E414 WeakPolarHBondContact O-CG 3.38Å; D410-E414 PolarHBondContact O-N 2.74Å
415	H	71.9	Confident	72.6	Confident	78 Å²	78	56.1 Å²	56.1	36%	0.361	29%	0.289	S	S	.	.			trans	-113.1	82.7	-173.8	-62.9	-60	0	0	0	112.7	Q368 I411 F413 D417 I418	Q368-H415 PolarHBondContact NE2-NE2 3.43Å; Q368-H415 VanDerWaalsContact NE2-NE2 3.13Å; I411-H415 PolarHBondContact O-CD2 3.31Å; I411-H415 VanDerWaalsContact O-CD2 3.26Å; I411-H415 PolarHBondContact O-N 2.7Å; F413-H415 VanDerWaalsContact C-N 3.33Å; F413-H415 PolarHBondContact O-N 2.73Å; H415-D417 PolarHBondContact O-N 2.97Å; H415-I418 HydrophobicContact CB-CD1 3.72Å; H415-I418 HydrophobicContact CB-CG1 3.99Å; H415-I418 PolarHBondContact O-N 3.41Å
416	N	63.9	Low	71	Confident	101 Å²	101	62.7 Å²	62.7	54%	0.54	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.4	179.9	-92.6	-53.2	0	0	0	114.6	I418 K493	N416-I418 PolarHBondContact O-N 2.7Å; N416-K493 WeakPolarHBondContact O-CE 3.28Å; N416-K493 PolarHBondContact O-NZ 2.68Å
417	D	64.3	Low	69	Low	113 Å²	113	69.3 Å²	69.3	60%	0.604	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	0.4	-177.4	-51.5	-52.2	0	0	0	114.6	H415 P437 F438	H415-D417 PolarHBondContact O-N 2.97Å; D417-P437 WeakPolarHBondContact O-CA 3.46Å; D417-P437 WeakPolarHBondContact O-CB 3.3Å; D417-F438 PolarHBondContact O-N 2.99Å
418	I	66.8	Low	67.4	Low	2 Å²	2	67.2 Å²	67.2	1%	0.01	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.4	175.9	-48.1	179.9	0	0	0	110.3	Q368 V372 L412 H415 N416 I420 F438 V440 K493	Q368-I418 HydrophobicContact CB-CD1 4.3Å; V372-I418 HydrophobicContact CG2-CD1 4.17Å; L412-I418 HydrophobicContact CD1-CB 4.35Å; H415-I418 HydrophobicContact CB-CD1 3.72Å; H415-I418 HydrophobicContact CB-CG1 3.99Å; H415-I418 PolarHBondContact O-N 3.41Å; N416-I418 PolarHBondContact O-N 2.7Å; I418-I420 HydrophobicContact CG2-CD1 4.3Å; I418-I420 HydrophobicContact CG2-CG1 3.85Å; I418-F438 HydrophobicContact CB-CB 4.44Å; I418-F438 HydrophobicContact CG1-CB 4.19Å; I418-F438 HydrophobicContact CG1-CD2 4.48Å; I418-F438 HydrophobicContact CG2-CB 4.28Å; I418-V440 HydrophobicContact CG2-CG2 3.97Å; I418-K493 PolarHBondContact O-NZ 2.9Å
419	F	64.4	Low	65.9	Low	100 Å²	100	68.7 Å²	68.7	44%	0.439	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.2	164.1	-67.9	-76.5	0	0	0	110.4	P437 F438 V440	F419-P437 HydrophobicContact CD2-CB 3.81Å; F419-P437 HydrophobicContact CD2-CG 4.27Å; F419-P437 HydrophobicContact CE2-CB 3.79Å; F419-P437 HydrophobicContact CE2-CG 4.19Å; F419-F438 PolarHBondContact N-O 3.23Å; F419-V440 PolarHBondContact O-N 2.91Å
420	I	63.2	Low	64.6	Low	29 Å²	29	70.6 Å²	70.6	15%	0.149	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.2	-179.6	-60.3	-175.1	0	0	0	107.1	V372 F376 L412 I418 G442 V444	V372-I420 HydrophobicContact CG1-CD1 3.92Å; F376-I420 HydrophobicContact CE2-CD1 3.92Å; F376-I420 HydrophobicContact CE2-CG2 3.89Å; F376-I420 HydrophobicContact CZ-CD1 3.78Å; F376-I420 HydrophobicContact CZ-CG2 3.67Å; L412-I420 HydrophobicContact CD1-CD1 3.48Å; L412-I420 VanDerWaalsContact CD1-CD1 3.48Å; L412-I420 HydrophobicContact CD1-CG1 4.27Å; L412-I420 HydrophobicContact CD2-CD1 3.74Å; L412-I420 HydrophobicContact CG-CD1 4.25Å; I418-I420 HydrophobicContact CG2-CD1 4.3Å; I418-I420 HydrophobicContact CG2-CG1 3.85Å; I420-G442 WeakPolarHBondContact CG2-O 3.26Å; I420-V444 HydrophobicContact CD1-CG2 4.4Å; I420-V444 HydrophobicContact CG2-CG2 4.29Å
421	G	59.8	Low	63	Low	11 Å²	11	67.7 Å²	67.7	11%	0.113	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	149.6	179.1	0	0	0	0	0	114.2	N423 G442	G421-N423 VanDerWaalsContact C-N 3.27Å; G421-G442 CarbonylContact C-O 3.06Å; G421-G442 WeakPolarHBondContact CA-O 3.5Å; G421-G442 PolarHBondContact N-O 2.84Å
422	E	57.8	Low	61.5	Low	79 Å²	79	72.1 Å²	72.1	37%	0.369	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-31.3	172.3	-171.6	98	-111.6	0	0	111.7	I424 R441 G442	E422-I424 PolarHBondContact O-N 3.27Å; E422-R441 PolarHBondContact O-NE 3.04Å; E422-R441 PolarHBondContact O-NH2 2.92Å; E422-R441 IonicContact OE1-CZ 2.63Å; E422-R441 IonicContact OE1-NH1 2.74Å; E422-R441 PolarHBondContact OE1-NH1 3.27Å; E422-R441 IonicContact OE1-NH2 2.69Å; E422-R441 PolarHBondContact OE1-NH2 3.07Å; E422-G442 PolarHBondContact N-O 2.77Å
423	N	55.6	Low	60.2	Low	148 Å²	148	76.2 Å²	76.2	79%	0.791	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	7.6	-173.8	-58.1	-42.3	0	0	0	114.2	G421	G421-N423 VanDerWaalsContact C-N 3.27Å
424	I	60.1	Low	58.7	Low	28 Å²	28	77.4 Å²	77.4	14%	0.144	41%	0.413	C	S	.	.	S	Bend	trans	-93.1	130.6	175.5	-61.9	171.7	0	0	0	107.2	E422 S428 R439 R441	E422-I424 PolarHBondContact O-N 3.27Å; I424-S428 WeakPolarHBondContact CG2-OG 3.18Å; I424-R439 HydrophobicContact CD1-CB 4.11Å; I424-R439 HydrophobicContact CD1-CG 4.31Å; I424-R439 HydrophobicContact CG2-CB 4.18Å; I424-R441 WeakPolarHBondContact O-CD 3.32Å; I424-R441 PolarHBondContact O-NE 3.18Å
425	A	52.7	Low	57	Low	55 Å²	55	78.7 Å²	78.7	46%	0.455	42%	0.424	S	S	.	.			trans	-78.6	150.7	174.9	0	0	0	0	0	110.6	D427 S428	A425-D427 PolarHBondContact O-N 3.25Å; A425-S428 PolarHBondContact N-OG 3.1Å; A425-S428 VanDerWaalsContact N-OG 3.09Å; A425-S428 WeakPolarHBondContact O-CA 3.41Å; A425-S428 PolarHBondContact O-N 3.27Å; A425-S428 PolarHBondContact O-OG 2.94Å
426	E	53	Low	56.1	Low	142 Å²	142	80 Å²	80	66%	0.664	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-59	-33.4	179.6	-59.1	-167.4	154	0	0	112.2	S428 E429	E426-S428 PolarHBondContact O-N 3.19Å; E426-E429 WeakPolarHBondContact O-CG 3.26Å; E426-E429 PolarHBondContact O-N 2.77Å
427	D	45.7	Very low	55.7	Low	169 Å²	169	78 Å²	78	90%	0.904	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-70.1	-8.4	175	-50.9	-64.2	0	0	0	114.3	A425	A425-D427 PolarHBondContact O-N 3.25Å
428	S	52.9	Low	55.3	Low	43 Å²	43	74.3 Å²	74.3	30%	0.301	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-110.8	17.2	-178	65.5	0	0	0	0	113.7	I424 A425 E426 N430	I424-S428 WeakPolarHBondContact CG2-OG 3.18Å; A425-S428 PolarHBondContact N-OG 3.1Å; A425-S428 VanDerWaalsContact N-OG 3.09Å; A425-S428 WeakPolarHBondContact O-CA 3.41Å; A425-S428 PolarHBondContact O-N 3.27Å; A425-S428 PolarHBondContact O-OG 2.94Å; E426-S428 PolarHBondContact O-N 3.19Å; S428-N430 PolarHBondContact O-N 2.98Å
429	E	55.3	Low	54.9	Low	34 Å²	34	80 Å²	80	16%	0.159	42%	0.423	C	S	.	.			trans	-77.8	93.5	176.4	-71.4	-166.2	153.2	0	0	113.1	K373 E426 L431 R439 R441	K373-E429 IonicContact NZ-OE1 3.54Å; K373-E429 PolarHBondContact NZ-OE1 3.11Å; K373-E429 IonicContact NZ-OE2 3.49Å; K373-E429 PolarHBondContact NZ-OE2 3.26Å; E426-E429 WeakPolarHBondContact O-CG 3.26Å; E426-E429 PolarHBondContact O-N 2.77Å; E429-L431 VanDerWaalsContact C-N 3.31Å; E429-L431 HydrophobicContact CB-CD1 4.31Å; E429-L431 HydrophobicContact CB-CG 4.16Å; E429-L431 PolarHBondContact O-N 2.92Å; E429-R439 VanDerWaalsContact CA-O 3.3Å; E429-R439 WeakPolarHBondContact CA-O 3.4Å; E429-R441 WeakPolarHBondContact OE1-CB 3.24Å; E429-R441 PolarHBondContact OE1-N 3.44Å; E429-R441 VanDerWaalsContact OE1-N 3.09Å
430	N	55.5	Low	54.6	Low	39 Å²	39	75.2 Å²	75.2	21%	0.209	40%	0.402	C	S	.	.			trans	-70.4	87.6	165.5	-82.4	-13.9	0	0	0	110.1	S428 Q436 F438 R439	S428-N430 PolarHBondContact O-N 2.98Å; N430-Q436 WeakPolarHBondContact ND2-CB 3.46Å; N430-Q436 PolarHBondContact ND2-OE1 3.45Å; N430-F438 WeakPolarHBondContact O-CA 3.38Å; N430-F438 WeakPolarHBondContact O-CD1 3.48Å; N430-R439 PolarHBondContact O-N 3.3Å
431	L	55.1	Low	54.5	Low	14 Å²	14	77.4 Å²	77.4	7%	0.073	41%	0.409	C	S	.	.			trans	-96.5	-8.3	173.8	-67.6	170.2	0	0	0	113.8	V330 G369 I370 E429 V440	V330-L431 HydrophobicContact CG2-CD1 4.27Å; G369-L431 VanDerWaalsContact C-CD2 3.5Å; I370-L431 HydrophobicContact CG1-CB 4.29Å; I370-L431 HydrophobicContact CG1-CD2 4.33Å; E429-L431 VanDerWaalsContact C-N 3.31Å; E429-L431 HydrophobicContact CB-CD1 4.31Å; E429-L431 HydrophobicContact CB-CG 4.16Å; E429-L431 PolarHBondContact O-N 2.92Å; L431-V440 HydrophobicContact CD2-CG2 4.22Å
432	I	51.1	Low	54.7	Low	118 Å²	118	77.4 Å²	77.4	61%	0.605	41%	0.408	S	S	*	.	S	Bend	trans	-121	-29.4	-160.6	-55	-179.1	0	0	0	113.7	V326	V326-I432 HydrophobicContact CG1-CD1 4.13Å; V326-I432 HydrophobicContact CG1-CG1 3.9Å
433	I	50.3	Low	55.6	Low	86 Å²	86	74.1 Å²	74.1	44%	0.441	39%	0.394	S	S	.	.			trans	-111.1	108.2	-165.5	-59.1	173.6	0	0	0	110.3	D435 Q436	I433-D435 HydrophobicContact CG2-CB 4.14Å; I433-D435 PolarHBondContact O-N 3.19Å; I433-Q436 PolarHBondContact O-N 3.35Å; I433-Q436 VanDerWaalsContact O-O 3.1Å
434	S	50.8	Low	56.7	Low	103 Å²	103	67.5 Å²	67.5	72%	0.72	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.5	-179.3	-48.4	0	0	0	0	115.1	Q436	S434-Q436 VanDerWaalsContact C-N 3.29Å
435	D	46.6	Very low	57.9	Low	161 Å²	161	66.3 Å²	66.3	86%	0.861	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.1	176.7	-81.6	-20.7	0	0	0	113.8	I433	I433-D435 HydrophobicContact CG2-CB 4.14Å; I433-D435 PolarHBondContact O-N 3.19Å
436	Q	52.8	Low	59.5	Low	105 Å²	105	66.4 Å²	66.4	49%	0.491	35%	0.347	S	S	.	.	S	Bend	trans	-130	143.6	173	-67.9	-169.8	9.5	0	0	109.9	N430 I433 S434 F438	N430-Q436 WeakPolarHBondContact ND2-CB 3.46Å; N430-Q436 PolarHBondContact ND2-OE1 3.45Å; I433-Q436 PolarHBondContact O-N 3.35Å; I433-Q436 VanDerWaalsContact O-O 3.1Å; S434-Q436 VanDerWaalsContact C-N 3.29Å; Q436-F438 PolarHBondContact O-N 3.37Å
437	P	56.6	Low	61.1	Low	59 Å²	59	60.8 Å²	60.8	38%	0.383	32%	0.322	S	S	.	.			trans	-63.9	135.1	-175.2	28.6	-36.5	0	0	0	110.5	D417 F419 R439	D417-P437 WeakPolarHBondContact O-CA 3.46Å; D417-P437 WeakPolarHBondContact O-CB 3.3Å; F419-P437 HydrophobicContact CD2-CB 3.81Å; F419-P437 HydrophobicContact CD2-CG 4.27Å; F419-P437 HydrophobicContact CE2-CB 3.79Å; F419-P437 HydrophobicContact CE2-CG 4.19Å; P437-R439 PolarHBondContact O-N 3.02Å
438	F	56.3	Low	63	Low	35 Å²	35	52.9 Å²	52.9	15%	0.154	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	119.7	-170.7	-66.6	-85.5	0	0	0	109.9	D417 I418 F419 N430 Q436	D417-F438 PolarHBondContact O-N 2.99Å; I418-F438 HydrophobicContact CB-CB 4.44Å; I418-F438 HydrophobicContact CG1-CB 4.19Å; I418-F438 HydrophobicContact CG1-CD2 4.48Å; I418-F438 HydrophobicContact CG2-CB 4.28Å; F419-F438 PolarHBondContact N-O 3.23Å; N430-F438 WeakPolarHBondContact O-CA 3.38Å; N430-F438 WeakPolarHBondContact O-CD1 3.48Å; Q436-F438 PolarHBondContact O-N 3.37Å
439	R	56.9	Low	64.7	Low	122 Å²	122	52.3 Å²	52.3	46%	0.46	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.4	178.8	-74.9	-177.2	-179.3	-176.1	0.5	108.7	I424 E429 N430 P437	I424-R439 HydrophobicContact CD1-CB 4.11Å; I424-R439 HydrophobicContact CD1-CG 4.31Å; I424-R439 HydrophobicContact CG2-CB 4.18Å; E429-R439 VanDerWaalsContact CA-O 3.3Å; E429-R439 WeakPolarHBondContact CA-O 3.4Å; N430-R439 PolarHBondContact O-N 3.3Å; P437-R439 PolarHBondContact O-N 3.02Å
440	V	59.4	Low	66.3	Low	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.2	-175.6	-177.1	0	0	0	0	110.2	V372 K373 F376 I418 F419 L431 G442	V372-V440 HydrophobicContact CG1-CG1 4.17Å; K373-V440 HydrophobicContact CB-CG1 4.01Å; F376-V440 HydrophobicContact CD2-CG1 4.39Å; F376-V440 HydrophobicContact CE2-CG1 4.3Å; I418-V440 HydrophobicContact CG2-CG2 3.97Å; F419-V440 PolarHBondContact O-N 2.91Å; L431-V440 HydrophobicContact CD2-CG2 4.22Å; V440-G442 PolarHBondContact O-N 2.78Å
441	R	60.7	Low	68	Low	75 Å²	75	51.7 Å²	51.7	28%	0.283	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	117.2	173.6	-171.9	58.1	168.4	83.7	-11.8	109.9	E422 I424 E429	E422-R441 PolarHBondContact O-NE 3.04Å; E422-R441 PolarHBondContact O-NH2 2.92Å; E422-R441 IonicContact OE1-CZ 2.63Å; E422-R441 IonicContact OE1-NH1 2.74Å; E422-R441 PolarHBondContact OE1-NH1 3.27Å; E422-R441 IonicContact OE1-NH2 2.69Å; E422-R441 PolarHBondContact OE1-NH2 3.07Å; I424-R441 WeakPolarHBondContact O-CD 3.32Å; I424-R441 PolarHBondContact O-NE 3.18Å; E429-R441 WeakPolarHBondContact OE1-CB 3.24Å; E429-R441 PolarHBondContact OE1-N 3.44Å; E429-R441 VanDerWaalsContact OE1-N 3.09Å
442	G	63.8	Low	69.6	Low	10 Å²	10	51.6 Å²	51.6	10%	0.103	27%	0.265	C	S	.	.			trans	174.7	165.9	178.7	0	0	0	0	0	110.3	I420 G421 E422 V440	I420-G442 WeakPolarHBondContact CG2-O 3.26Å; G421-G442 CarbonylContact C-O 3.06Å; G421-G442 WeakPolarHBondContact CA-O 3.5Å; G421-G442 PolarHBondContact N-O 2.84Å; E422-G442 PolarHBondContact N-O 2.77Å; V440-G442 PolarHBondContact O-N 2.78Å
443	C	76.4	Confident	71.4	Confident	11 Å²	11	50 Å²	50	7%	0.074	26%	0.255	C	S	.	.			trans	-144.2	103.7	173.8	-171.9	0	0	0	0	107.5	L445 T446 L447	C443-L445 PolarHBondContact O-N 2.89Å; C443-T446 HydrophobicContact CB-CG2 4.38Å; C443-T446 WeakPolarHBondContact CB-OG1 3.42Å; C443-T446 PolarHBondContact O-N 2.97Å; C443-T446 PolarHBondContact O-OG1 2.71Å; C443-L447 PolarHBondContact O-N 2.78Å
444	V	79	Confident	73.2	Confident	8 Å²	8	46.1 Å²	46.1	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-35.4	-179.2	-166.8	0	0	0	0	110.1	F376 L409 L412 I420 L447 V448 L486	F376-V444 HydrophobicContact CE1-CG2 3.96Å; F376-V444 HydrophobicContact CZ-CG2 3.83Å; L409-V444 HydrophobicContact CD2-CG1 4.12Å; L412-V444 HydrophobicContact CD2-CG2 3.92Å; I420-V444 HydrophobicContact CD1-CG2 4.4Å; I420-V444 HydrophobicContact CG2-CG2 4.29Å; V444-L447 PolarHBondContact O-N 2.8Å; V444-V448 HydrophobicContact CG1-CG2 4.49Å; V444-V448 PolarHBondContact O-N 3.17Å; V444-L486 HydrophobicContact CB-CD1 3.86Å; V444-L486 HydrophobicContact CG1-CD1 3.67Å
445	L	84.1	Confident	75	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-54.9	-56.3	175.4	172.4	60.2	0	0	0	112	C443 L447 V448 E449 L490 E498 R501 V502	C443-L445 PolarHBondContact O-N 2.89Å; L445-L447 PolarHBondContact O-N 3.48Å; L445-V448 CarbonylContact O-C 3.59Å; L445-V448 PolarHBondContact O-N 3.05Å; L445-E449 HydrophobicContact CD1-CG 3.7Å; L445-E449 HydrophobicContact CG-CG 4.19Å; L445-E449 WeakPolarHBondContact O-CG 3.44Å; L445-E449 PolarHBondContact O-N 3.03Å; L445-L490 HydrophobicContact CB-CD1 4.39Å; L445-E498 HydrophobicContact CD2-CB 4.01Å; L445-E498 HydrophobicContact CD2-CG 4.22Å; L445-R501 HydrophobicContact CD1-CB 4.29Å; L445-R501 HydrophobicContact CD2-CB 3.81Å; L445-V502 HydrophobicContact CD1-CG2 3.84Å
446	T	86.3	Confident	77.1	Confident	56 Å²	56	35.8 Å²	35.8	34%	0.344	17%	0.173	S	C	.	.	H	α-helix	trans	-65.8	-24.8	-175.3	56.5	0	0	0	0	113.1	C443 R450	C443-T446 HydrophobicContact CB-CG2 4.38Å; C443-T446 WeakPolarHBondContact CB-OG1 3.42Å; C443-T446 PolarHBondContact O-N 2.97Å; C443-T446 PolarHBondContact O-OG1 2.71Å; T446-R450 WeakPolarHBondContact O-CB 3.08Å; T446-R450 PolarHBondContact O-N 2.77Å
447	L	86.7	Confident	78.7	Confident	24 Å²	24	31.9 Å²	31.9	13%	0.126	16%	0.155	C	C	.	.	H	α-helix	trans	-74.5	-33.7	173.1	-67	163.7	0	0	0	112.8	F376 I379 Y383 C443 V444 L445 M451	F376-L447 HydrophobicContact CD1-CD1 3.27Å; F376-L447 HydrophobicContact CE1-CD1 3.59Å; F376-L447 HydrophobicContact CG-CD1 4.39Å; I379-L447 HydrophobicContact CG2-CD2 4.03Å; Y383-L447 HydrophobicContact CD2-CD2 4.29Å; Y383-L447 HydrophobicContact CE2-CD2 3.95Å; Y383-L447 PolarHBondContact OH-O 3.24Å; C443-L447 PolarHBondContact O-N 2.78Å; V444-L447 PolarHBondContact O-N 2.8Å; L445-L447 PolarHBondContact O-N 3.48Å; L447-M451 PolarHBondContact O-N 3.12Å
448	V	87.4	Confident	80.3	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.024	14%	0.139	C	C	.	.	H	α-helix	trans	-80.6	-32.5	173.9	171.6	0	0	0	0	111.7	I405 V444 L445 R450 M451 D452 I482 I483 L486	I405-V448 HydrophobicContact CG2-CG2 4.41Å; V444-V448 HydrophobicContact CG1-CG2 4.49Å; V444-V448 PolarHBondContact O-N 3.17Å; L445-V448 CarbonylContact O-C 3.59Å; L445-V448 PolarHBondContact O-N 3.05Å; V448-R450 VanDerWaalsContact C-N 3.27Å; V448-R450 PolarHBondContact O-N 2.66Å; V448-M451 HydrophobicContact CG1-CE 4.08Å; V448-M451 WeakPolarHBondContact O-CB 3.44Å; V448-M451 PolarHBondContact O-N 3.09Å; V448-D452 WeakPolarHBondContact O-CB 3.02Å; V448-D452 PolarHBondContact O-N 3.37Å; V448-I482 HydrophobicContact CG2-CG2 4.1Å; V448-I483 HydrophobicContact CG1-CG1 3.91Å; V448-L486 HydrophobicContact CB-CD2 3.74Å; V448-L486 HydrophobicContact CG1-CD2 3.85Å; V448-L486 HydrophobicContact CG2-CD2 3.89Å
449	E	88.2	Confident	81.7	Confident	31 Å²	31	28 Å²	28	15%	0.145	13%	0.133	C	C	.	.	H	α-helix	trans	-62	-37.2	166.2	-65.1	-160.6	95.2	0	0	110.9	L445 E453 R505	L445-E449 HydrophobicContact CD1-CG 3.7Å; L445-E449 HydrophobicContact CG-CG 4.19Å; L445-E449 WeakPolarHBondContact O-CG 3.44Å; L445-E449 PolarHBondContact O-N 3.03Å; E449-E453 PolarHBondContact O-N 3.21Å; E449-E453 VanDerWaalsContact O-N 3.1Å; E449-R505 HydrophobicContact CG-CG 4.34Å; E449-R505 IonicContact OE1-CZ 2.8Å; E449-R505 VanDerWaalsContact OE1-CZ 3.25Å; E449-R505 IonicContact OE1-NE 3.2Å; E449-R505 PolarHBondContact OE1-NE 3.46Å; E449-R505 IonicContact OE1-NH2 3.69Å; E449-R505 PolarHBondContact OE1-NH2 3.15Å
450	R	89.3	Confident	83.2	Confident	60 Å²	60	25 Å²	25	23%	0.226	12%	0.123	C	C	.	.	H	α-helix	trans	-70.9	-36.9	173.6	-168.5	69.8	-162.6	172.5	13.4	112.8	Y383 T446 V448 D452 E453 E454	Y383-R450 HydrophobicContact CD1-CG 3.88Å; Y383-R450 HydrophobicContact CD2-CB 4.21Å; Y383-R450 HydrophobicContact CD2-CG 3.68Å; Y383-R450 HydrophobicContact CE1-CB 4.47Å; Y383-R450 HydrophobicContact CE1-CG 3.96Å; Y383-R450 HydrophobicContact CE2-CB 3.78Å; Y383-R450 HydrophobicContact CE2-CG 3.72Å; Y383-R450 HydrophobicContact CG-CG 3.77Å; T446-R450 WeakPolarHBondContact O-CB 3.08Å; T446-R450 PolarHBondContact O-N 2.77Å; V448-R450 VanDerWaalsContact C-N 3.27Å; V448-R450 PolarHBondContact O-N 2.66Å; R450-D452 VanDerWaalsContact C-N 3.32Å; R450-D452 PolarHBondContact O-N 3.34Å; R450-E453 IonicContact CZ-OE2 2.81Å; R450-E453 IonicContact NE-OE2 2.77Å; R450-E453 IonicContact NH1-OE2 2.73Å; R450-E453 PolarHBondContact NH1-OE2 3.45Å; R450-E453 PolarHBondContact O-N 3.3Å; R450-E454 IonicContact CZ-OE1 3.24Å; R450-E454 IonicContact NE-OE1 2.71Å; R450-E454 PolarHBondContact NE-OE1 3.22Å; R450-E454 IonicContact NH2-OE1 2.76Å; R450-E454 PolarHBondContact NH2-OE1 3.34Å; R450-E454 WeakPolarHBondContact O-CG 3.38Å; R450-E454 PolarHBondContact O-N 3.41Å
451	M	90.1	Very high	84.5	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57	-47.9	172.9	-171.8	-171.6	76.8	0	0	110.4	Y383 W398 L402 I405 L447 V448 E453 E454 F455 V479 I482	Y383-M451 VanDerWaalsContact OH-CA 3.28Å; Y383-M451 WeakPolarHBondContact OH-CA 3.44Å; Y383-M451 VanDerWaalsContact OH-CB 3.32Å; Y383-M451 WeakPolarHBondContact OH-CB 3.16Å; Y383-M451 PolarHBondContact OH-N 2.93Å; Y383-M451 VanDerWaalsContact OH-N 3.15Å; W398-M451 HydrophobicContact CH2-CG 3.57Å; W398-M451 VanDerWaalsContact CH2-O 3.29Å; W398-M451 WeakPolarHBondContact CH2-O 3.43Å; W398-M451 HydrophobicContact CZ3-CG 3.98Å; L402-M451 HydrophobicContact CD2-CG 4.01Å; L402-M451 HydrophobicContact CD2-SD 3.59Å; L402-M451 VanDerWaalsContact CD2-SD 3.59Å; I405-M451 HydrophobicContact CD1-CB 4.34Å; I405-M451 HydrophobicContact CD1-CG 4.14Å; I405-M451 HydrophobicContact CD1-SD 3.78Å; L447-M451 PolarHBondContact O-N 3.12Å; V448-M451 HydrophobicContact CG1-CE 4.08Å; V448-M451 WeakPolarHBondContact O-CB 3.44Å; V448-M451 PolarHBondContact O-N 3.09Å; M451-E453 PolarHBondContact O-N 2.93Å; M451-E454 PolarHBondContact O-N 2.71Å; M451-F455 WeakPolarHBondContact O-CB 3.39Å; M451-F455 PolarHBondContact O-N 3.19Å; M451-V479 HydrophobicContact CE-CB 4.19Å; M451-V479 HydrophobicContact CE-CG1 3.89Å; M451-V479 HydrophobicContact CE-CG2 4.09Å; M451-I482 HydrophobicContact CE-CB 4.24Å; M451-I482 HydrophobicContact CE-CG2 3.84Å; M451-I482 HydrophobicContact SD-CD1 4.01Å; M451-I482 HydrophobicContact SD-CG2 3.95Å
452	D	88.4	Confident	85.8	Confident	11 Å²	11	26.3 Å²	26.3	6%	0.059	14%	0.137	C	C	.	.	H	α-helix	trans	-61.2	-40.1	176.9	-173.7	37.1	0	0	0	112.9	V448 R450 T456 R505 H509	V448-D452 WeakPolarHBondContact O-CB 3.02Å; V448-D452 PolarHBondContact O-N 3.37Å; R450-D452 VanDerWaalsContact C-N 3.32Å; R450-D452 PolarHBondContact O-N 3.34Å; D452-T456 WeakPolarHBondContact O-CB 3.1Å; D452-T456 PolarHBondContact O-N 3.5Å; D452-T456 PolarHBondContact O-OG1 3.38Å; D452-R505 VanDerWaalsContact OD2-CD 3.29Å; D452-R505 WeakPolarHBondContact OD2-CD 3.32Å; D452-R505 IonicContact OD2-CZ 2.7Å; D452-R505 IonicContact OD2-NE 3.06Å; D452-R505 IonicContact OD2-NH1 2.92Å; D452-R505 PolarHBondContact OD2-NH1 2.98Å; D452-H509 IonicContact OD1-CD2 3.02Å; D452-H509 IonicContact OD1-CE1 2.72Å; D452-H509 PolarHBondContact OD1-CE1 3.01Å; D452-H509 IonicContact OD1-NE2 2.63Å; D452-H509 PolarHBondContact OD1-NE2 3.45Å
453	E	88.4	Confident	86.9	Confident	84 Å²	84	30 Å²	30	39%	0.393	15%	0.154	S	C	.	.	H	α-helix	trans	-65	-42	172.1	-75.6	-177.7	-168.8	0	0	113.4	E449 R450 M451 K457	E449-E453 PolarHBondContact O-N 3.21Å; E449-E453 VanDerWaalsContact O-N 3.1Å; R450-E453 IonicContact CZ-OE2 2.81Å; R450-E453 IonicContact NE-OE2 2.77Å; R450-E453 IonicContact NH1-OE2 2.73Å; R450-E453 PolarHBondContact NH1-OE2 3.45Å; R450-E453 PolarHBondContact O-N 3.3Å; M451-E453 PolarHBondContact O-N 2.93Å; E453-K457 WeakPolarHBondContact O-CG 3.42Å; E453-K457 PolarHBondContact O-N 3.47Å
454	E	88.3	Confident	87.5	Confident	6 Å²	6	31.8 Å²	31.8	3%	0.028	17%	0.165	C	C	.	.	H	α-helix	trans	-68.2	-41.3	177.3	-66.6	-56.2	143	0	0	111.5	Y383 M393 W398 R450 M451 K457 I458	Y383-E454 HydrophobicContact CD1-CG 3.8Å; Y383-E454 HydrophobicContact CE1-CG 3.85Å; M393-E454 HydrophobicContact CE-CG 4.46Å; W398-E454 HydrophobicContact CE3-CB 4.37Å; W398-E454 HydrophobicContact CZ3-CB 3.83Å; R450-E454 IonicContact CZ-OE1 3.24Å; R450-E454 IonicContact NE-OE1 2.71Å; R450-E454 PolarHBondContact NE-OE1 3.22Å; R450-E454 IonicContact NH2-OE1 2.76Å; R450-E454 PolarHBondContact NH2-OE1 3.34Å; R450-E454 WeakPolarHBondContact O-CG 3.38Å; R450-E454 PolarHBondContact O-N 3.41Å; M451-E454 PolarHBondContact O-N 2.71Å; E454-K457 VanDerWaalsContact CD-CE 3.44Å; E454-K457 PolarHBondContact O-N 3.11Å; E454-K457 WeakPolarHBondContact OE1-CE 3.3Å; E454-K457 IonicContact OE1-NZ 3.26Å; E454-K457 PolarHBondContact OE1-NZ 3.32Å; E454-K457 WeakPolarHBondContact OE2-CE 3.32Å; E454-K457 IonicContact OE2-NZ 2.87Å; E454-K457 PolarHBondContact OE2-NZ 3.43Å; E454-I458 WeakPolarHBondContact O-CG1 3.34Å; E454-I458 PolarHBondContact O-N 2.92Å
455	F	90.1	Very high	88	Confident	4 Å²	4	39 Å²	39	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-48.8	172.1	-178.9	-110	0	0	0	111.5	W398 M451 K457 I458 M459 E476 V479	W398-F455 HydrophobicContact CH2-CB 3.68Å; W398-F455 HydrophobicContact CZ2-CB 3.8Å; W398-F455 AromaticContact CZ2-CD2 3.83Å; W398-F455 HydrophobicContact CZ2-CD2 3.83Å; W398-F455 HydrophobicContact CZ2-CG 4.24Å; M451-F455 WeakPolarHBondContact O-CB 3.39Å; M451-F455 PolarHBondContact O-N 3.19Å; F455-K457 VanDerWaalsContact C-N 3.26Å; F455-K457 PolarHBondContact O-N 3.29Å; F455-I458 WeakPolarHBondContact O-CB 3.49Å; F455-I458 PolarHBondContact O-N 2.96Å; F455-I458 VanDerWaalsContact O-N 3.11Å; F455-M459 HydrophobicContact CD1-CG 4.42Å; F455-M459 HydrophobicContact CD2-CG 4.28Å; F455-M459 HydrophobicContact CE1-CG 4.02Å; F455-M459 HydrophobicContact CE2-CG 3.86Å; F455-M459 HydrophobicContact CE2-SD 4.21Å; F455-M459 HydrophobicContact CZ-CG 3.71Å; F455-M459 HydrophobicContact CZ-SD 4.31Å; F455-M459 WeakPolarHBondContact O-CG 3.49Å; F455-M459 PolarHBondContact O-N 3.25Å; F455-E476 HydrophobicContact CE1-CB 4.35Å; F455-E476 HydrophobicContact CE1-CG 3.88Å; F455-E476 HydrophobicContact CE2-CB 4.47Å; F455-E476 HydrophobicContact CZ-CB 3.75Å; F455-E476 HydrophobicContact CZ-CG 3.8Å; F455-V479 HydrophobicContact CD2-CG2 4.35Å; F455-V479 HydrophobicContact CG-CG2 4.37Å
456	T	89.1	Confident	88.3	Confident	43 Å²	43	40.4 Å²	40.4	26%	0.264	21%	0.208	S	C	.	.	H	α-helix	trans	-55.9	-41.4	177.1	-61.3	0	0	0	0	111.3	D452 M459 Q460 P671	D452-T456 WeakPolarHBondContact O-CB 3.1Å; D452-T456 PolarHBondContact O-N 3.5Å; D452-T456 PolarHBondContact O-OG1 3.38Å; T456-M459 CarbonylContact O-C 3.55Å; T456-M459 PolarHBondContact O-N 2.78Å; T456-Q460 WeakPolarHBondContact O-CG 3.4Å; T456-Q460 PolarHBondContact O-N 3.45Å; T456-P671 HydrophobicContact CG2-CG 4.08Å
457	K	88.2	Confident	88.5	Confident	22 Å²	22	43.4 Å²	43.4	10%	0.096	22%	0.218	C	C	.	.	H	α-helix	trans	-67.9	-40.5	175.9	-73.1	-176.2	-65.6	158.6	0	113.3	L389 A391 F392 E453 E454 F455 M459 Q460 N461	L389-K457 WeakPolarHBondContact O-CD 3.42Å; L389-K457 PolarHBondContact O-NZ 3.39Å; A391-K457 PolarHBondContact O-NZ 3.39Å; F392-K457 HydrophobicContact CB-CB 4.13Å; E453-K457 WeakPolarHBondContact O-CG 3.42Å; E453-K457 PolarHBondContact O-N 3.47Å; E454-K457 VanDerWaalsContact CD-CE 3.44Å; E454-K457 PolarHBondContact O-N 3.11Å; E454-K457 WeakPolarHBondContact OE1-CE 3.3Å; E454-K457 IonicContact OE1-NZ 3.26Å; E454-K457 PolarHBondContact OE1-NZ 3.32Å; E454-K457 WeakPolarHBondContact OE2-CE 3.32Å; E454-K457 IonicContact OE2-NZ 2.87Å; E454-K457 PolarHBondContact OE2-NZ 3.43Å; F455-K457 VanDerWaalsContact C-N 3.26Å; F455-K457 PolarHBondContact O-N 3.29Å; K457-M459 PolarHBondContact O-N 3.28Å; K457-Q460 PolarHBondContact O-N 3.34Å; K457-N461 WeakPolarHBondContact O-CB 3.43Å; K457-N461 PolarHBondContact O-N 3.3Å; K457-N461 PolarHBondContact O-OD1 2.89Å
458	I	88.8	Confident	88.5	Confident	11 Å²	11	48.7 Å²	48.7	6%	0.056	24%	0.242	C	C	.	.	H	α-helix	trans	-55.8	-45.4	172.9	-67.2	164.6	0	0	0	109.5	F392 W398 E454 F455 Q460 N461 T462 N472	F392-I458 HydrophobicContact CB-CG1 3.92Å; F392-I458 HydrophobicContact CD2-CG1 4.31Å; W398-I458 HydrophobicContact CB-CD1 4.28Å; W398-I458 HydrophobicContact CD2-CD1 3.67Å; W398-I458 HydrophobicContact CE3-CD1 4.01Å; W398-I458 HydrophobicContact CG-CD1 3.78Å; E454-I458 WeakPolarHBondContact O-CG1 3.34Å; E454-I458 PolarHBondContact O-N 2.92Å; F455-I458 WeakPolarHBondContact O-CB 3.49Å; F455-I458 PolarHBondContact O-N 2.96Å; F455-I458 VanDerWaalsContact O-N 3.11Å; I458-Q460 VanDerWaalsContact C-N 3.34Å; I458-Q460 PolarHBondContact O-N 3.14Å; I458-N461 PolarHBondContact O-N 2.85Å; I458-T462 PolarHBondContact O-N 2.79Å; I458-T462 PolarHBondContact O-OG1 2.81Å; I458-N472 HydrophobicContact CG2-CB 4.32Å
459	M	86.8	Confident	88.7	Confident	3 Å²	3	49 Å²	49	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-80.5	-7.8	-178.7	-55	-55.5	-83.3	0	0	114.8	F455 T456 K457 Y469 N472 L473 P671	F455-M459 HydrophobicContact CD1-CG 4.42Å; F455-M459 HydrophobicContact CD2-CG 4.28Å; F455-M459 HydrophobicContact CE1-CG 4.02Å; F455-M459 HydrophobicContact CE2-CG 3.86Å; F455-M459 HydrophobicContact CE2-SD 4.21Å; F455-M459 HydrophobicContact CZ-CG 3.71Å; F455-M459 HydrophobicContact CZ-SD 4.31Å; F455-M459 WeakPolarHBondContact O-CG 3.49Å; F455-M459 PolarHBondContact O-N 3.25Å; T456-M459 CarbonylContact O-C 3.55Å; T456-M459 PolarHBondContact O-N 2.78Å; K457-M459 PolarHBondContact O-N 3.28Å; M459-Y469 HydrophobicContact CE-CD1 4.1Å; M459-Y469 HydrophobicContact CE-CD2 4.47Å; M459-Y469 HydrophobicContact CE-CE1 3.63Å; M459-Y469 HydrophobicContact CE-CE2 4.04Å; M459-Y469 HydrophobicContact CE-CG 4.48Å; M459-N472 HydrophobicContact CE-CB 4.43Å; M459-N472 HydrophobicContact SD-CB 3.67Å; M459-L473 HydrophobicContact CE-CB 3.77Å; M459-L473 HydrophobicContact CE-CD1 3.85Å; M459-L473 HydrophobicContact CE-CG 4.39Å; M459-P671 HydrophobicContact CB-CB 3.87Å; M459-P671 HydrophobicContact CB-CG 4.12Å
460	Q	87.6	Confident	88.7	Confident	58 Å²	58	50.9 Å²	50.9	27%	0.271	26%	0.257	S	S	.	.	H	α-helix	trans	-87	-27.1	165	-79	176.1	-10	0	0	112.6	T456 K457 I458 R667 Q669	T456-Q460 WeakPolarHBondContact O-CG 3.4Å; T456-Q460 PolarHBondContact O-N 3.45Å; K457-Q460 PolarHBondContact O-N 3.34Å; I458-Q460 VanDerWaalsContact C-N 3.34Å; I458-Q460 PolarHBondContact O-N 3.14Å; Q460-R667 PolarHBondContact NE2-O 3.24Å; Q460-Q669 PolarHBondContact NE2-O 2.62Å
461	N	87.1	Confident	88.6	Confident	85 Å²	85	51.3 Å²	51.3	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-103.1	-16	-173.4	-80	123.3	0	0	0	114.9	F392 K457 I458	F392-N461 HydrophobicContact CD1-CB 3.37Å; F392-N461 VanDerWaalsContact CD1-CG 3.49Å; F392-N461 WeakPolarHBondContact CD1-OD1 3.39Å; F392-N461 HydrophobicContact CE1-CB 3.58Å; F392-N461 HydrophobicContact CG-CB 4.05Å; F392-N461 HydrophobicContact CZ-CB 4.38Å; K457-N461 WeakPolarHBondContact O-CB 3.43Å; K457-N461 PolarHBondContact O-N 3.3Å; K457-N461 PolarHBondContact O-OD1 2.89Å; I458-N461 PolarHBondContact O-N 2.85Å
462	T	87	Confident	88.5	Confident	17 Å²	17	53.1 Å²	53.1	10%	0.104	27%	0.273	C	S	.	.	S	Bend	trans	-77.3	140.3	172.2	-49.8	0	0	0	0	110.2	I458 E468 Y469 N472	I458-T462 PolarHBondContact O-N 2.79Å; I458-T462 PolarHBondContact O-OG1 2.81Å; T462-E468 HydrophobicContact CG2-CB 4.02Å; T462-Y469 HydrophobicContact CG2-CD2 4.03Å; T462-N472 PolarHBondContact OG1-ND2 2.82Å
463	D	88.4	Confident	88.5	Confident	88 Å²	88	55.1 Å²	55.1	47%	0.471	28%	0.284	S	S	.	.			trans	-67.1	126.6	177.1	174.6	73.3	0	0	0	111.7	H465 S466 Y469	D463-H465 VanDerWaalsContact C-N 3.27Å; D463-H465 PolarHBondContact O-N 3.48Å; D463-H465 WeakPolarHBondContact OD2-CA 3.08Å; D463-H465 PolarHBondContact OD2-N 2.81Å; D463-S466 PolarHBondContact O-N 2.66Å; D463-S466 PolarHBondContact O-OG 3.27Å; D463-S466 PolarHBondContact OD2-N 2.73Å; D463-Y469 WeakPolarHBondContact O-CB 3.3Å
464	P	88	Confident	88.4	Confident	48 Å²	48	57.2 Å²	57.2	31%	0.312	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.9	-177.6	-31.4	39.4	0	0	0	117.6	F672	P464-F672 HydrophobicContact CB-CB 3.96Å; P464-F672 HydrophobicContact CB-CD1 3.78Å; P464-F672 HydrophobicContact CB-CD2 3.82Å; P464-F672 HydrophobicContact CB-CE1 4.16Å; P464-F672 HydrophobicContact CB-CE2 4.2Å; P464-F672 HydrophobicContact CB-CG 3.59Å; P464-F672 HydrophobicContact CB-CZ 4.36Å; P464-F672 HydrophobicContact CG-CB 3.99Å; P464-F672 HydrophobicContact CG-CD2 4.21Å; P464-F672 HydrophobicContact CG-CG 4.08Å
465	H	88.6	Confident	88.3	Confident	161 Å²	161	57.9 Å²	57.9	75%	0.745	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-10.1	-175.7	-59.1	-64.4	0	0	0	112.4	D463	D463-H465 VanDerWaalsContact C-N 3.27Å; D463-H465 PolarHBondContact O-N 3.48Å; D463-H465 WeakPolarHBondContact OD2-CA 3.08Å; D463-H465 PolarHBondContact OD2-N 2.81Å
466	S	92.3	Very high	88.1	Confident	32 Å²	32	58.6 Å²	58.6	22%	0.224	30%	0.299	C	S	.	.	S	Bend	trans	-71.6	149	174	74.3	0	0	0	0	113.2	D463 E468 Y469	D463-S466 PolarHBondContact O-N 2.66Å; D463-S466 PolarHBondContact O-OG 3.27Å; D463-S466 PolarHBondContact OD2-N 2.73Å; S466-E468 PolarHBondContact O-N 3.19Å; S466-Y469 WeakPolarHBondContact O-CB 3.44Å; S466-Y469 PolarHBondContact O-N 3.02Å; S466-Y469 PolarHBondContact OG-N 3.25Å
467	Q	89.9	Confident	87.9	Confident	119 Å²	119	59 Å²	59	56%	0.556	31%	0.312	S	S	*	.	H	α-helix	trans	-60.7	-29	170.3	177.3	53.7	44.7	0	0	112.1	Y469 V470 D471	Q467-Y469 PolarHBondContact O-N 2.78Å; Q467-V470 PolarHBondContact O-N 2.95Å; Q467-D471 PolarHBondContact NE2-OD2 3.16Å; Q467-D471 PolarHBondContact O-N 2.89Å; Q467-D471 VanDerWaalsContact O-N 3.14Å
468	E	86.9	Confident	87.8	Confident	135 Å²	135	61.9 Å²	61.9	63%	0.631	32%	0.322	S	S	*	.	H	α-helix	trans	-59.1	-30.9	176.6	-57.3	-171.9	169.7	0	0	112.4	T462 S466 V470 D471 N472	T462-E468 HydrophobicContact CG2-CB 4.02Å; S466-E468 PolarHBondContact O-N 3.19Å; E468-V470 VanDerWaalsContact C-N 3.34Å; E468-V470 PolarHBondContact O-N 3.38Å; E468-D471 PolarHBondContact O-N 2.98Å; E468-N472 WeakPolarHBondContact O-CB 3.46Å; E468-N472 VanDerWaalsContact O-CG 3.28Å; E468-N472 PolarHBondContact O-N 2.81Å; E468-N472 PolarHBondContact O-ND2 3.28Å
469	Y	90.9	Very high	87.8	Confident	10 Å²	10	61.3 Å²	61.3	4%	0.039	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-42.2	175.1	-160.5	-85.9	0	0	0	112	M459 T462 D463 S466 Q467 L473 F672 H673	M459-Y469 HydrophobicContact CE-CD1 4.1Å; M459-Y469 HydrophobicContact CE-CD2 4.47Å; M459-Y469 HydrophobicContact CE-CE1 3.63Å; M459-Y469 HydrophobicContact CE-CE2 4.04Å; M459-Y469 HydrophobicContact CE-CG 4.48Å; T462-Y469 HydrophobicContact CG2-CD2 4.03Å; D463-Y469 WeakPolarHBondContact O-CB 3.3Å; S466-Y469 WeakPolarHBondContact O-CB 3.44Å; S466-Y469 PolarHBondContact O-N 3.02Å; S466-Y469 PolarHBondContact OG-N 3.25Å; Q467-Y469 PolarHBondContact O-N 2.78Å; Y469-L473 VanDerWaalsContact O-CB 3.27Å; Y469-L473 WeakPolarHBondContact O-CB 3.24Å; Y469-L473 PolarHBondContact O-N 2.9Å; Y469-F672 HydrophobicContact CE1-CB 4.36Å; Y469-F672 HydrophobicContact CE1-CD1 4.38Å; Y469-F672 HydrophobicContact CE2-CB 4.12Å; Y469-F672 PolarHBondContact OH-N 3.14Å; Y469-F672 VanDerWaalsContact OH-N 3.1Å; Y469-H673 HydrophobicContact CE1-CB 4.36Å; Y469-H673 AromaticContact CZ-ND1 3.86Å; Y469-H673 PolarHBondContact OH-N 2.87Å; Y469-H673 PolarHBondContact OH-ND1 2.99Å
470	V	89.4	Confident	87.8	Confident	72 Å²	72	62.1 Å²	62.1	44%	0.436	32%	0.324	S	S	.	.	H	α-helix	trans	-69.9	-36.5	179.1	-177.3	0	0	0	0	110.7	Q467 E468 L473 K474	Q467-V470 PolarHBondContact O-N 2.95Å; E468-V470 VanDerWaalsContact C-N 3.34Å; E468-V470 PolarHBondContact O-N 3.38Å; V470-L473 PolarHBondContact O-N 3.21Å; V470-K474 WeakPolarHBondContact O-CG 3.48Å; V470-K474 PolarHBondContact O-N 3.14Å
471	D	87.3	Confident	87.8	Confident	69 Å²	69	60.8 Å²	60.8	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-73	-38	177.2	-73.1	-51.8	0	0	0	112.9	Q467 E468 L473 K474	Q467-D471 PolarHBondContact NE2-OD2 3.16Å; Q467-D471 PolarHBondContact O-N 2.89Å; Q467-D471 VanDerWaalsContact O-N 3.14Å; E468-D471 PolarHBondContact O-N 2.98Å; D471-L473 VanDerWaalsContact C-N 3.34Å; D471-K474 PolarHBondContact O-N 2.84Å; D471-K474 WeakPolarHBondContact OD1-CE 3.44Å; D471-K474 IonicContact OD1-NZ 3.77Å; D471-K474 PolarHBondContact OD1-NZ 3.34Å
472	N	86.8	Confident	87.8	Confident	37 Å²	37	56.8 Å²	56.8	20%	0.198	31%	0.305	C	S	.	.	H	α-helix	trans	-68.4	-31.8	171.9	-70.3	-21.4	0	0	0	112.2	I458 M459 T462 E468 K474 D475	I458-N472 HydrophobicContact CG2-CB 4.32Å; M459-N472 HydrophobicContact CE-CB 4.43Å; M459-N472 HydrophobicContact SD-CB 3.67Å; T462-N472 PolarHBondContact OG1-ND2 2.82Å; E468-N472 WeakPolarHBondContact O-CB 3.46Å; E468-N472 VanDerWaalsContact O-CG 3.28Å; E468-N472 PolarHBondContact O-N 2.81Å; E468-N472 PolarHBondContact O-ND2 3.28Å; N472-K474 VanDerWaalsContact C-N 3.29Å; N472-K474 PolarHBondContact O-N 3.25Å; N472-D475 PolarHBondContact O-N 3.33Å
473	L	88.1	Confident	87.9	Confident	53 Å²	53	56.1 Å²	56.1	28%	0.277	30%	0.301	S	S	.	.	H	α-helix	trans	-68.3	-24.2	175.9	-171.1	63.1	0	0	0	113	M459 Y469 V470 D471 D475 E476 H673	M459-L473 HydrophobicContact CE-CB 3.77Å; M459-L473 HydrophobicContact CE-CD1 3.85Å; M459-L473 HydrophobicContact CE-CG 4.39Å; Y469-L473 VanDerWaalsContact O-CB 3.27Å; Y469-L473 WeakPolarHBondContact O-CB 3.24Å; Y469-L473 PolarHBondContact O-N 2.9Å; V470-L473 PolarHBondContact O-N 3.21Å; D471-L473 VanDerWaalsContact C-N 3.34Å; L473-D475 VanDerWaalsContact C-N 3.26Å; L473-D475 PolarHBondContact O-N 3.4Å; L473-E476 HydrophobicContact CD1-CB 4.28Å; L473-E476 WeakPolarHBondContact O-CB 3.28Å; L473-E476 PolarHBondContact O-N 2.7Å; L473-H673 HydrophobicContact CD1-CB 4.39Å
474	K	87	Confident	87.8	Confident	129 Å²	129	54.6 Å²	54.6	56%	0.561	29%	0.293	S	S	*	.	H	α-helix	trans	-63.2	-32.2	175.4	-69.5	165.9	-169.7	171.7	0	112.6	V470 D471 N472 E476 G477	V470-K474 WeakPolarHBondContact O-CG 3.48Å; V470-K474 PolarHBondContact O-N 3.14Å; D471-K474 PolarHBondContact O-N 2.84Å; D471-K474 WeakPolarHBondContact OD1-CE 3.44Å; D471-K474 IonicContact OD1-NZ 3.77Å; D471-K474 PolarHBondContact OD1-NZ 3.34Å; N472-K474 VanDerWaalsContact C-N 3.29Å; N472-K474 PolarHBondContact O-N 3.25Å; K474-E476 PolarHBondContact O-N 3.48Å; K474-G477 PolarHBondContact O-N 2.76Å
475	D	85.5	Confident	87.7	Confident	19 Å²	19	55.2 Å²	55.2	10%	0.102	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14	175.9	-74.2	-16.4	0	0	0	112.1	K399 L402 N472 L473 G477 R478 V479	K399-D475 WeakPolarHBondContact CE-OD2 3.47Å; L402-D475 HydrophobicContact CD1-CB 4.47Å; N472-D475 PolarHBondContact O-N 3.33Å; L473-D475 VanDerWaalsContact C-N 3.26Å; L473-D475 PolarHBondContact O-N 3.4Å; D475-G477 PolarHBondContact O-N 3.37Å; D475-R478 WeakPolarHBondContact O-CB 3.36Å; D475-R478 PolarHBondContact O-N 3.48Å; D475-R478 VanDerWaalsContact O-N 3.1Å; D475-V479 PolarHBondContact O-N 2.82Å; D475-V479 VanDerWaalsContact O-N 3.09Å
476	E	85.8	Confident	87.5	Confident	20 Å²	20	47.7 Å²	47.7	9%	0.093	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-32.4	173.9	-157.9	-153.4	178.5	0	0	112.1	F455 L473 K474 R478 V479 C480 H509 Y512 K513	F455-E476 HydrophobicContact CE1-CB 4.35Å; F455-E476 HydrophobicContact CE1-CG 3.88Å; F455-E476 HydrophobicContact CE2-CB 4.47Å; F455-E476 HydrophobicContact CZ-CB 3.75Å; F455-E476 HydrophobicContact CZ-CG 3.8Å; L473-E476 HydrophobicContact CD1-CB 4.28Å; L473-E476 WeakPolarHBondContact O-CB 3.28Å; L473-E476 PolarHBondContact O-N 2.7Å; K474-E476 PolarHBondContact O-N 3.48Å; E476-R478 VanDerWaalsContact C-N 3.33Å; E476-R478 PolarHBondContact O-N 3.45Å; E476-V479 PolarHBondContact O-N 3.36Å; E476-C480 PolarHBondContact O-N 2.91Å; E476-C480 PolarHBondContact O-SG 3.04Å; E476-H509 IonicContact OE1-ND1 3.95Å; E476-H509 PolarHBondContact OE1-ND1 3.04Å; E476-Y512 PolarHBondContact OE1-OH 3.44Å; E476-K513 VanDerWaalsContact OE1-CE 3.25Å; E476-K513 WeakPolarHBondContact OE1-CE 3.45Å; E476-K513 IonicContact OE1-NZ 3.15Å; E476-K513 PolarHBondContact OE1-NZ 2.93Å; E476-K513 WeakPolarHBondContact OE2-CE 3.41Å; E476-K513 IonicContact OE2-NZ 2.72Å; E476-K513 PolarHBondContact OE2-NZ 3.17Å
477	G	85.9	Confident	87.2	Confident	52 Å²	52	46.8 Å²	46.8	54%	0.536	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-40.1	175	0	0	0	0	0	112.3	K474 D475 C480 G481	K474-G477 PolarHBondContact O-N 2.76Å; D475-G477 PolarHBondContact O-N 3.37Å; G477-C480 PolarHBondContact O-N 3.29Å; G477-G481 PolarHBondContact O-N 3.32Å; G477-G481 VanDerWaalsContact O-N 3.07Å
478	R	86.8	Confident	87	Confident	81 Å²	81	43.8 Å²	43.8	31%	0.306	24%	0.239	S	C	.	.	H	α-helix	trans	-66.8	-44.1	173.6	-66.9	-169	66.1	-178.5	0.3	111.5	L402 D403 D406 D475 E476 C480 G481 I482	L402-R478 HydrophobicContact CD1-CB 4.35Å; D403-R478 IonicContact OD1-CZ 3.75Å; D403-R478 VanDerWaalsContact OD1-CZ 3.23Å; D403-R478 IonicContact OD1-NH1 2.64Å; D403-R478 PolarHBondContact OD1-NH1 3.07Å; D403-R478 IonicContact OD1-NH2 3.54Å; D403-R478 PolarHBondContact OD1-NH2 2.94Å; D406-R478 IonicContact OD2-CZ 3.98Å; D406-R478 IonicContact OD2-NE 2.67Å; D406-R478 IonicContact OD2-NH2 3.59Å; D406-R478 PolarHBondContact OD2-NH2 3.13Å; D475-R478 WeakPolarHBondContact O-CB 3.36Å; D475-R478 PolarHBondContact O-N 3.48Å; D475-R478 VanDerWaalsContact O-N 3.1Å; E476-R478 VanDerWaalsContact C-N 3.33Å; E476-R478 PolarHBondContact O-N 3.45Å; R478-C480 VanDerWaalsContact C-N 3.33Å; R478-C480 PolarHBondContact O-N 3.34Å; R478-G481 PolarHBondContact O-N 2.93Å; R478-I482 WeakPolarHBondContact O-CG1 3.45Å; R478-I482 PolarHBondContact O-N 2.97Å
479	V	88.8	Confident	86.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.5	-46.1	175.6	166.2	0	0	0	0	111.1	W398 L402 M451 F455 D475 E476 I482 I483	W398-V479 HydrophobicContact CZ2-CG2 4Å; L402-V479 HydrophobicContact CD2-CG2 4.38Å; M451-V479 HydrophobicContact CE-CB 4.19Å; M451-V479 HydrophobicContact CE-CG1 3.89Å; M451-V479 HydrophobicContact CE-CG2 4.09Å; F455-V479 HydrophobicContact CD2-CG2 4.35Å; F455-V479 HydrophobicContact CG-CG2 4.37Å; D475-V479 PolarHBondContact O-N 2.82Å; D475-V479 VanDerWaalsContact O-N 3.09Å; E476-V479 PolarHBondContact O-N 3.36Å; V479-I482 PolarHBondContact O-N 3.49Å; V479-I483 HydrophobicContact CG1-CD1 3.95Å; V479-I483 VanDerWaalsContact O-CG1 3.29Å; V479-I483 WeakPolarHBondContact O-CG1 3.41Å; V479-I483 PolarHBondContact O-N 2.87Å; V479-I483 VanDerWaalsContact O-N 3.07Å
480	C	85.9	Confident	86.3	Confident	19 Å²	19	38 Å²	38	13%	0.128	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-43.3	177	-67.9	0	0	0	0	112.3	E476 G477 R478 I483 D484 R506	E476-C480 PolarHBondContact O-N 2.91Å; E476-C480 PolarHBondContact O-SG 3.04Å; G477-C480 PolarHBondContact O-N 3.29Å; R478-C480 VanDerWaalsContact C-N 3.33Å; R478-C480 PolarHBondContact O-N 3.34Å; C480-I483 PolarHBondContact O-N 2.78Å; C480-D484 PolarHBondContact O-N 3.12Å; C480-R506 PolarHBondContact O-NH1 3.45Å
481	G	86.9	Confident	86	Confident	31 Å²	31	38.5 Å²	38.5	32%	0.32	21%	0.21	S	C	.	.	H	α-helix	trans	-64.5	-43.7	177.1	0	0	0	0	0	113.2	G477 R478 I483 D484 R485	G477-G481 PolarHBondContact O-N 3.32Å; G477-G481 VanDerWaalsContact O-N 3.07Å; R478-G481 PolarHBondContact O-N 2.93Å; G481-I483 VanDerWaalsContact C-N 3.27Å; G481-I483 PolarHBondContact O-N 2.77Å; G481-D484 PolarHBondContact O-N 2.95Å; G481-R485 VanDerWaalsContact O-CG 3.29Å; G481-R485 WeakPolarHBondContact O-CG 3.21Å; G481-R485 PolarHBondContact O-N 3.07Å
482	I	88.1	Confident	85.8	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-38.6	174.2	-72.9	167.3	0	0	0	111.1	L402 I405 L409 V448 M451 R478 V479 L486	L402-I482 HydrophobicContact CB-CD1 4.38Å; L402-I482 HydrophobicContact CD2-CD1 3.91Å; I405-I482 HydrophobicContact CG2-CD1 4.29Å; I405-I482 HydrophobicContact CG2-CG2 3.65Å; L409-I482 HydrophobicContact CD1-CG2 4.09Å; V448-I482 HydrophobicContact CG2-CG2 4.1Å; M451-I482 HydrophobicContact CE-CB 4.24Å; M451-I482 HydrophobicContact CE-CG2 3.84Å; M451-I482 HydrophobicContact SD-CD1 4.01Å; M451-I482 HydrophobicContact SD-CG2 3.95Å; R478-I482 WeakPolarHBondContact O-CG1 3.45Å; R478-I482 PolarHBondContact O-N 2.97Å; V479-I482 PolarHBondContact O-N 3.49Å; I482-L486 WeakPolarHBondContact O-CB 3.2Å; I482-L486 PolarHBondContact O-N 3.36Å
483	I	87.8	Confident	85.3	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-67.8	-39.8	176.2	-69.1	166.4	0	0	0	111.5	V448 V479 C480 G481 L486 L487 R506	V448-I483 HydrophobicContact CG1-CG1 3.91Å; V479-I483 HydrophobicContact CG1-CD1 3.95Å; V479-I483 VanDerWaalsContact O-CG1 3.29Å; V479-I483 WeakPolarHBondContact O-CG1 3.41Å; V479-I483 PolarHBondContact O-N 2.87Å; V479-I483 VanDerWaalsContact O-N 3.07Å; C480-I483 PolarHBondContact O-N 2.78Å; G481-I483 VanDerWaalsContact C-N 3.27Å; G481-I483 PolarHBondContact O-N 2.77Å; I483-L486 PolarHBondContact O-N 3.3Å; I483-L487 WeakPolarHBondContact O-CB 3.49Å; I483-L487 PolarHBondContact O-N 2.88Å; I483-R506 HydrophobicContact CG2-CB 3.97Å
484	D	86.6	Confident	84.5	Confident	57 Å²	57	40.8 Å²	40.8	31%	0.305	23%	0.226	S	C	.	.	H	α-helix	trans	-64.3	-45.9	174.4	-76.6	-38.5	0	0	0	112	C480 G481 L486 L487 S488 R506	C480-D484 PolarHBondContact O-N 3.12Å; G481-D484 PolarHBondContact O-N 2.95Å; D484-L486 VanDerWaalsContact C-N 3.31Å; D484-L486 PolarHBondContact O-N 3.15Å; D484-L487 WeakPolarHBondContact O-CB 3.39Å; D484-L487 PolarHBondContact O-N 2.79Å; D484-S488 PolarHBondContact O-N 3.43Å; D484-S488 PolarHBondContact O-OG 2.94Å; D484-R506 IonicContact OD1-CZ 2.72Å; D484-R506 IonicContact OD1-NE 2.7Å; D484-R506 PolarHBondContact OD1-NE 2.96Å; D484-R506 IonicContact OD1-NH1 2.69Å; D484-R506 PolarHBondContact OD1-NH1 3.28Å; D484-R506 IonicContact OD1-NH2 3.37Å; D484-R506 PolarHBondContact OD1-NH2 3.43Å; D484-R506 IonicContact OD2-CZ 3.67Å; D484-R506 IonicContact OD2-NH1 3.15Å; D484-R506 PolarHBondContact OD2-NH1 2.82Å; D484-R506 IonicContact OD2-NH2 2.59Å; D484-R506 PolarHBondContact OD2-NH2 2.92Å
485	R	87	Confident	84.2	Confident	61 Å²	61	37 Å²	37	23%	0.23	22%	0.216	C	C	.	.	H	α-helix	trans	-56.7	-45.3	174.1	-69.5	-178.3	73.7	-173.8	6.7	111.2	D406 L409 D410 F413 G481 L487 Y489	D406-R485 PolarHBondContact O-NH1 2.76Å; D406-R485 IonicContact OD1-NH1 2.64Å; D406-R485 PolarHBondContact OD1-NH1 3.44Å; L409-R485 HydrophobicContact CD1-CB 4Å; D410-R485 IonicContact OD1-CZ 3.64Å; D410-R485 IonicContact OD1-NH1 3.14Å; D410-R485 IonicContact OD1-NH2 2.68Å; D410-R485 PolarHBondContact OD1-NH2 3.01Å; F413-R485 HydrophobicContact CE2-CB 4.14Å; F413-R485 VanDerWaalsContact CZ-O 3.25Å; F413-R485 WeakPolarHBondContact CZ-O 3.32Å; G481-R485 VanDerWaalsContact O-CG 3.29Å; G481-R485 WeakPolarHBondContact O-CG 3.21Å; G481-R485 PolarHBondContact O-N 3.07Å; R485-L487 VanDerWaalsContact C-N 3.33Å; R485-L487 PolarHBondContact O-N 3.25Å; R485-Y489 PolarHBondContact O-N 2.92Å; R485-Y489 VanDerWaalsContact O-N 3.13Å
486	L	84.2	Confident	84.1	Confident	2 Å²	2	39 Å²	39	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-36.4	175.3	179.5	61.7	0	0	0	112.6	V444 V448 I482 I483 D484 Y489 L490 V502	V444-L486 HydrophobicContact CB-CD1 3.86Å; V444-L486 HydrophobicContact CG1-CD1 3.67Å; V448-L486 HydrophobicContact CB-CD2 3.74Å; V448-L486 HydrophobicContact CG1-CD2 3.85Å; V448-L486 HydrophobicContact CG2-CD2 3.89Å; I482-L486 WeakPolarHBondContact O-CB 3.2Å; I482-L486 PolarHBondContact O-N 3.36Å; I483-L486 PolarHBondContact O-N 3.3Å; D484-L486 VanDerWaalsContact C-N 3.31Å; D484-L486 PolarHBondContact O-N 3.15Å; L486-Y489 PolarHBondContact O-N 3.02Å; L486-L490 HydrophobicContact CD1-CD1 3.59Å; L486-L490 HydrophobicContact CD1-CG 3.97Å; L486-L490 HydrophobicContact CD2-CD1 4.42Å; L486-L490 HydrophobicContact CG-CD1 3.9Å; L486-L490 WeakPolarHBondContact O-CB 3.33Å; L486-L490 PolarHBondContact O-N 3.17Å; L486-V502 HydrophobicContact CD2-CG2 4.45Å
487	L	85.3	Confident	83.9	Confident	13 Å²	13	42.2 Å²	42.2	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-51.5	178.7	-170.1	154.7	0	0	0	110.9	I483 D484 R485 Y489 L490 E491 V502 Y503 R506 L550	I483-L487 WeakPolarHBondContact O-CB 3.49Å; I483-L487 PolarHBondContact O-N 2.88Å; D484-L487 WeakPolarHBondContact O-CB 3.39Å; D484-L487 PolarHBondContact O-N 2.79Å; R485-L487 VanDerWaalsContact C-N 3.33Å; R485-L487 PolarHBondContact O-N 3.25Å; L487-Y489 PolarHBondContact O-N 3.38Å; L487-L490 PolarHBondContact O-N 3.49Å; L487-L490 VanDerWaalsContact O-N 3.13Å; L487-E491 VanDerWaalsContact CD2-CD 3.43Å; L487-E491 HydrophobicContact CD2-CG 3.95Å; L487-E491 PolarHBondContact O-N 2.93Å; L487-V502 HydrophobicContact CB-CG1 3.84Å; L487-V502 HydrophobicContact CD1-CG1 4.33Å; L487-V502 HydrophobicContact CG-CG1 4.14Å; L487-Y503 HydrophobicContact CD1-CD1 3.91Å; L487-Y503 HydrophobicContact CD1-CE1 4.05Å; L487-Y503 HydrophobicContact CD2-CE1 4.25Å; L487-Y503 HydrophobicContact CG-CD1 4.2Å; L487-Y503 HydrophobicContact CG-CE1 3.95Å; L487-R506 HydrophobicContact CD1-CB 4.08Å; L487-R506 HydrophobicContact CD1-CG 4.13Å; L487-L550 HydrophobicContact CD1-CD2 4.3Å
488	S	85.6	Confident	83.7	Confident	56 Å²	56	40.9 Å²	40.9	39%	0.392	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-29.3	176.1	-57.6	0	0	0	0	113.1	D484 N492	D484-S488 PolarHBondContact O-N 3.43Å; D484-S488 PolarHBondContact O-OG 2.94Å; S488-N492 PolarHBondContact O-ND2 3.41Å
489	Y	83.1	Confident	83.6	Confident	10 Å²	10	37.8 Å²	37.8	4%	0.039	21%	0.213	C	C	.	.	H	α-helix	trans	-69.4	-45.9	171.9	179.3	-97.3	0	0	0	112.2	L412 R485 L486 L487 N492 K493	L412-Y489 HydrophobicContact CD1-CE2 3.76Å; L412-Y489 WeakPolarHBondContact CD1-OH 3.07Å; L412-Y489 HydrophobicContact CD2-CD1 4.25Å; L412-Y489 HydrophobicContact CD2-CD2 4.2Å; L412-Y489 HydrophobicContact CD2-CE1 3.86Å; L412-Y489 HydrophobicContact CD2-CE2 3.79Å; L412-Y489 HydrophobicContact CD2-CG 4.43Å; L412-Y489 HydrophobicContact CG-CD2 3.96Å; L412-Y489 HydrophobicContact CG-CE1 4.38Å; L412-Y489 HydrophobicContact CG-CE2 3.38Å; R485-Y489 PolarHBondContact O-N 2.92Å; R485-Y489 VanDerWaalsContact O-N 3.13Å; L486-Y489 PolarHBondContact O-N 3.02Å; L487-Y489 PolarHBondContact O-N 3.38Å; Y489-N492 PolarHBondContact O-N 3.27Å; Y489-K493 HydrophobicContact CD2-CD 4.41Å; Y489-K493 HydrophobicContact CE1-CD 4.38Å; Y489-K493 HydrophobicContact CE2-CD 3.52Å; Y489-K493 VanDerWaalsContact CZ-CD 3.48Å; Y489-K493 PolarHBondContact O-N 3.14Å; Y489-K493 VanDerWaalsContact OH-CD 3.26Å; Y489-K493 WeakPolarHBondContact OH-CD 3.36Å
490	L	81.6	Confident	83.5	Confident	14 Å²	14	37.9 Å²	37.9	7%	0.073	21%	0.213	C	C	.	.	H	α-helix	trans	-81.3	-21.6	-175.8	-71.8	174.8	0	0	0	114.4	L445 L486 L487 N492 G494 I499 V502	L445-L490 HydrophobicContact CB-CD1 4.39Å; L486-L490 HydrophobicContact CD1-CD1 3.59Å; L486-L490 HydrophobicContact CD1-CG 3.97Å; L486-L490 HydrophobicContact CD2-CD1 4.42Å; L486-L490 HydrophobicContact CG-CD1 3.9Å; L486-L490 WeakPolarHBondContact O-CB 3.33Å; L486-L490 PolarHBondContact O-N 3.17Å; L487-L490 PolarHBondContact O-N 3.49Å; L487-L490 VanDerWaalsContact O-N 3.13Å; L490-N492 PolarHBondContact O-N 2.75Å; L490-G494 VanDerWaalsContact O-CA 3.28Å; L490-G494 WeakPolarHBondContact O-CA 3.45Å; L490-G494 PolarHBondContact O-N 3.06Å; L490-I499 WeakPolarHBondContact O-CD1 3.37Å; L490-I499 WeakPolarHBondContact O-CG1 3.3Å; L490-V502 HydrophobicContact CB-CG2 4.43Å; L490-V502 HydrophobicContact CD1-CG2 3.37Å; L490-V502 HydrophobicContact CG-CG2 4.5Å
491	E	82.6	Confident	83.5	Confident	83 Å²	83	40.3 Å²	40.3	39%	0.388	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-32.4	165.8	-78.1	-177.7	147.9	0	0	111.9	L487 Y503	L487-E491 VanDerWaalsContact CD2-CD 3.43Å; L487-E491 HydrophobicContact CD2-CG 3.95Å; L487-E491 PolarHBondContact O-N 2.93Å; E491-Y503 HydrophobicContact CG-CE1 4.31Å; E491-Y503 PolarHBondContact OE1-OH 3.26Å; E491-Y503 VanDerWaalsContact OE1-OH 3.09Å
492	N	82.6	Confident	83.5	Confident	135 Å²	135	38.9 Å²	38.9	72%	0.722	21%	0.205	S	C	*	.	H	α-helix	trans	-86.6	-30	-179.1	-76.3	-62.4	0	0	0	114.4	S488 Y489 L490	S488-N492 PolarHBondContact O-ND2 3.41Å; Y489-N492 PolarHBondContact O-N 3.27Å; L490-N492 PolarHBondContact O-N 2.75Å
493	K	76.2	Confident	83.6	Confident	49 Å²	49	39.5 Å²	39.5	21%	0.213	21%	0.207	C	C	.	.	H	α-helix	trans	-131.6	-11.5	-170.2	-73.5	177.9	172.8	-172	0	116.1	N416 I418 Y489	N416-K493 WeakPolarHBondContact O-CE 3.28Å; N416-K493 PolarHBondContact O-NZ 2.68Å; I418-K493 PolarHBondContact O-NZ 2.9Å; Y489-K493 HydrophobicContact CD2-CD 4.41Å; Y489-K493 HydrophobicContact CE1-CD 4.38Å; Y489-K493 HydrophobicContact CE2-CD 3.52Å; Y489-K493 VanDerWaalsContact CZ-CD 3.48Å; Y489-K493 PolarHBondContact O-N 3.14Å; Y489-K493 VanDerWaalsContact OH-CD 3.26Å; Y489-K493 WeakPolarHBondContact OH-CD 3.36Å
494	G	71.4	Confident	83.7	Confident	23 Å²	23	40.6 Å²	40.6	24%	0.237	21%	0.213	C	C	.	.			trans	-85.1	160.8	-168.2	0	0	0	0	0	115.2	L490	L490-G494 VanDerWaalsContact O-CA 3.28Å; L490-G494 WeakPolarHBondContact O-CA 3.45Å; L490-G494 PolarHBondContact O-N 3.06Å
495	S	80.4	Confident	83.8	Confident	50 Å²	50	40.4 Å²	40.4	35%	0.35	21%	0.208	S	C	.	.			trans	-73.4	150.7	166.7	179.9	0	0	0	0	111.2	E497 E498 I499	S495-E497 PolarHBondContact O-N 3.02Å; S495-E497 VanDerWaalsContact O-N 3.11Å; S495-E498 VanDerWaalsContact CB-OE2 3.28Å; S495-E498 WeakPolarHBondContact CB-OE2 3.08Å; S495-E498 PolarHBondContact N-OE2 2.98Å; S495-E498 WeakPolarHBondContact O-CB 3.28Å; S495-E498 PolarHBondContact O-N 2.79Å; S495-I499 WeakPolarHBondContact O-CG1 3.43Å; S495-I499 PolarHBondContact O-N 3.39Å
496	T	82.9	Confident	83.8	Confident	61 Å²	61	39.1 Å²	39.1	37%	0.374	20%	0.203	S	C	.	.	H	α-helix	trans	-56.6	-30.3	176.4	51.1	0	0	0	0	113.2	E498 C500	T496-E498 VanDerWaalsContact C-N 3.34Å; T496-C500 PolarHBondContact O-N 3.16Å; T496-C500 VanDerWaalsContact O-N 3.07Å; T496-C500 PolarHBondContact O-SG 3.5Å; T496-C500 VanDerWaalsContact O-SG 3.33Å
497	E	81.8	Confident	84.1	Confident	87 Å²	87	39 Å²	39	41%	0.407	20%	0.202	S	C	.	.	H	α-helix	trans	-78	-17.9	177.5	-64.1	179.2	173.5	0	0	113.6	S495 R501 R559	S495-E497 PolarHBondContact O-N 3.02Å; S495-E497 VanDerWaalsContact O-N 3.11Å; E497-R501 PolarHBondContact O-NE 2.94Å; E497-R559 WeakPolarHBondContact OE1-CD 3.34Å; E497-R559 IonicContact OE1-CZ 3.55Å; E497-R559 IonicContact OE1-NE 3.57Å; E497-R559 IonicContact OE1-NH1 2.71Å; E497-R559 PolarHBondContact OE1-NH1 2.88Å
498	E	81.4	Confident	84.2	Confident	24 Å²	24	41.1 Å²	41.1	11%	0.112	21%	0.212	C	C	.	.	H	α-helix	trans	-87.1	-46.4	172.4	-66.1	162.4	158.7	0	0	108.9	L445 S495 T496 C500 R501 V502	L445-E498 HydrophobicContact CD2-CB 4.01Å; L445-E498 HydrophobicContact CD2-CG 4.22Å; S495-E498 VanDerWaalsContact CB-OE2 3.28Å; S495-E498 WeakPolarHBondContact CB-OE2 3.08Å; S495-E498 PolarHBondContact N-OE2 2.98Å; S495-E498 WeakPolarHBondContact O-CB 3.28Å; S495-E498 PolarHBondContact O-N 2.79Å; T496-E498 VanDerWaalsContact C-N 3.34Å; E498-C500 PolarHBondContact O-N 3.14Å; E498-R501 WeakPolarHBondContact O-CA 3.33Å; E498-R501 WeakPolarHBondContact O-CB 3.31Å; E498-R501 PolarHBondContact O-N 3.22Å; E498-V502 WeakPolarHBondContact O-CG2 3.35Å; E498-V502 PolarHBondContact O-N 3.27Å
499	I	85.3	Confident	84.3	Confident	16 Å²	16	39 Å²	39	8%	0.082	20%	0.196	C	C	.	.	H	α-helix	trans	-53.7	-49	175.1	-64.6	168.7	0	0	0	111.1	L490 S495 R501 V502 Y503 F553	L490-I499 WeakPolarHBondContact O-CD1 3.37Å; L490-I499 WeakPolarHBondContact O-CG1 3.3Å; S495-I499 WeakPolarHBondContact O-CG1 3.43Å; S495-I499 PolarHBondContact O-N 3.39Å; I499-R501 VanDerWaalsContact C-N 3.25Å; I499-R501 PolarHBondContact O-N 3.2Å; I499-V502 PolarHBondContact O-N 3.25Å; I499-Y503 HydrophobicContact CG2-CD1 3.9Å; I499-Y503 HydrophobicContact CG2-CD2 4.21Å; I499-Y503 HydrophobicContact CG2-CE1 3.41Å; I499-Y503 VanDerWaalsContact CG2-CE1 3.41Å; I499-Y503 HydrophobicContact CG2-CE2 3.77Å; I499-Y503 HydrophobicContact CG2-CG 4.27Å; I499-Y503 WeakPolarHBondContact O-CB 3.46Å; I499-Y503 VanDerWaalsContact O-CD1 3.28Å; I499-Y503 WeakPolarHBondContact O-CD1 3.36Å; I499-Y503 VanDerWaalsContact O-CG 3.3Å; I499-Y503 PolarHBondContact O-N 3.26Å; I499-F553 HydrophobicContact CB-CE1 4.27Å; I499-F553 HydrophobicContact CG2-CD1 4.26Å; I499-F553 HydrophobicContact CG2-CE1 3.56Å; I499-F553 HydrophobicContact CG2-CZ 3.9Å
500	C	86.1	Confident	84.4	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-32.1	176.6	-74.1	0	0	0	0	113.7	T496 E498 L504 I554	T496-C500 PolarHBondContact O-N 3.16Å; T496-C500 VanDerWaalsContact O-N 3.07Å; T496-C500 PolarHBondContact O-SG 3.5Å; T496-C500 VanDerWaalsContact O-SG 3.33Å; E498-C500 PolarHBondContact O-N 3.14Å; C500-L504 PolarHBondContact O-N 3.18Å; C500-L504 VanDerWaalsContact O-N 3.17Å; C500-I554 HydrophobicContact CB-CG1 4.4Å
501	R	87	Confident	84.8	Confident	70 Å²	70	38.8 Å²	38.8	26%	0.264	20%	0.197	S	C	.	.	H	α-helix	trans	-74.7	-43.5	175.4	-79.2	-179.1	-78.4	161.5	-6.3	112.1	L445 E497 E498 I499 Y503 L504 R505 I563	L445-R501 HydrophobicContact CD1-CB 4.29Å; L445-R501 HydrophobicContact CD2-CB 3.81Å; E497-R501 PolarHBondContact O-NE 2.94Å; E498-R501 WeakPolarHBondContact O-CA 3.33Å; E498-R501 WeakPolarHBondContact O-CB 3.31Å; E498-R501 PolarHBondContact O-N 3.22Å; I499-R501 VanDerWaalsContact C-N 3.25Å; I499-R501 PolarHBondContact O-N 3.2Å; R501-Y503 VanDerWaalsContact C-N 3.32Å; R501-Y503 PolarHBondContact O-N 2.73Å; R501-L504 PolarHBondContact O-N 3.46Å; R501-R505 WeakPolarHBondContact O-CG 3.48Å; R501-R505 PolarHBondContact O-N 2.82Å; R501-I563 HydrophobicContact CG-CD1 3.51Å
502	V	87.4	Confident	85.1	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-45.3	174.1	-177.3	0	0	0	0	110.5	L445 L486 L487 L490 E498 I499 L504 R505 R506	L445-V502 HydrophobicContact CD1-CG2 3.84Å; L486-V502 HydrophobicContact CD2-CG2 4.45Å; L487-V502 HydrophobicContact CB-CG1 3.84Å; L487-V502 HydrophobicContact CD1-CG1 4.33Å; L487-V502 HydrophobicContact CG-CG1 4.14Å; L490-V502 HydrophobicContact CB-CG2 4.43Å; L490-V502 HydrophobicContact CD1-CG2 3.37Å; L490-V502 HydrophobicContact CG-CG2 4.5Å; E498-V502 WeakPolarHBondContact O-CG2 3.35Å; E498-V502 PolarHBondContact O-N 3.27Å; I499-V502 PolarHBondContact O-N 3.25Å; V502-L504 VanDerWaalsContact C-N 3.31Å; V502-L504 PolarHBondContact O-N 3.07Å; V502-R505 PolarHBondContact O-N 3.43Å; V502-R505 VanDerWaalsContact O-N 3.08Å; V502-R506 PolarHBondContact O-N 3.24Å
503	Y	89.5	Confident	85.3	Confident	14 Å²	14	33.1 Å²	33.1	6%	0.055	16%	0.164	C	C	.	.	H	α-helix	trans	-60.2	-41.9	178.6	-74.6	13.3	0	0	0	110.9	L487 E491 I499 R501 R506 I507 L550 F553	L487-Y503 HydrophobicContact CD1-CD1 3.91Å; L487-Y503 HydrophobicContact CD1-CE1 4.05Å; L487-Y503 HydrophobicContact CD2-CE1 4.25Å; L487-Y503 HydrophobicContact CG-CD1 4.2Å; L487-Y503 HydrophobicContact CG-CE1 3.95Å; E491-Y503 HydrophobicContact CG-CE1 4.31Å; E491-Y503 PolarHBondContact OE1-OH 3.26Å; E491-Y503 VanDerWaalsContact OE1-OH 3.09Å; I499-Y503 HydrophobicContact CG2-CD1 3.9Å; I499-Y503 HydrophobicContact CG2-CD2 4.21Å; I499-Y503 HydrophobicContact CG2-CE1 3.41Å; I499-Y503 VanDerWaalsContact CG2-CE1 3.41Å; I499-Y503 HydrophobicContact CG2-CE2 3.77Å; I499-Y503 HydrophobicContact CG2-CG 4.27Å; I499-Y503 WeakPolarHBondContact O-CB 3.46Å; I499-Y503 VanDerWaalsContact O-CD1 3.28Å; I499-Y503 WeakPolarHBondContact O-CD1 3.36Å; I499-Y503 VanDerWaalsContact O-CG 3.3Å; I499-Y503 PolarHBondContact O-N 3.26Å; R501-Y503 VanDerWaalsContact C-N 3.32Å; R501-Y503 PolarHBondContact O-N 2.73Å; Y503-R506 PolarHBondContact O-N 2.96Å; Y503-I507 WeakPolarHBondContact O-CB 3.38Å; Y503-I507 WeakPolarHBondContact O-CD1 3.05Å; Y503-I507 WeakPolarHBondContact O-CG1 3.39Å; Y503-I507 PolarHBondContact O-N 3.4Å; Y503-L550 HydrophobicContact CD1-CD2 3.66Å; Y503-L550 HydrophobicContact CD2-CB 4.13Å; Y503-L550 HydrophobicContact CD2-CD2 3.55Å; Y503-L550 HydrophobicContact CD2-CG 4.43Å; Y503-L550 HydrophobicContact CE1-CD2 3.79Å; Y503-L550 HydrophobicContact CE2-CD2 3.67Å; Y503-L550 HydrophobicContact CG-CB 4.37Å; Y503-L550 HydrophobicContact CG-CD2 3.55Å; Y503-L550 HydrophobicContact CG-CG 4.46Å; Y503-F553 HydrophobicContact CD2-CB 4.06Å; Y503-F553 AromaticContact CD2-CD1 3.76Å; Y503-F553 HydrophobicContact CD2-CD1 3.76Å; Y503-F553 HydrophobicContact CD2-CG 4.12Å; Y503-F553 HydrophobicContact CE2-CB 3.72Å; Y503-F553 AromaticContact CE2-CD1 3.48Å; Y503-F553 HydrophobicContact CE2-CD1 3.48Å; Y503-F553 VanDerWaalsContact CE2-CD1 3.48Å; Y503-F553 HydrophobicContact CE2-CD2 4.24Å; Y503-F553 HydrophobicContact CE2-CE1 4.11Å; Y503-F553 AromaticContact CE2-CG 3.56Å; Y503-F553 HydrophobicContact CE2-CG 3.56Å
504	L	89.9	Confident	85.6	Confident	24 Å²	24	31.8 Å²	31.8	13%	0.126	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-44.3	172.7	179.9	62.3	0	0	0	112.1	C500 R501 V502 R506 I507 M508 I563 C566	C500-L504 PolarHBondContact O-N 3.18Å; C500-L504 VanDerWaalsContact O-N 3.17Å; R501-L504 PolarHBondContact O-N 3.46Å; V502-L504 VanDerWaalsContact C-N 3.31Å; V502-L504 PolarHBondContact O-N 3.07Å; L504-R506 PolarHBondContact O-N 3.41Å; L504-I507 PolarHBondContact O-N 3.19Å; L504-M508 HydrophobicContact CD1-CG 4.21Å; L504-M508 HydrophobicContact CG-CG 4.37Å; L504-M508 WeakPolarHBondContact O-CB 3.24Å; L504-M508 VanDerWaalsContact O-CG 3.24Å; L504-M508 WeakPolarHBondContact O-CG 3.35Å; L504-M508 PolarHBondContact O-N 2.67Å; L504-I563 HydrophobicContact CB-CG2 4.1Å; L504-I563 HydrophobicContact CD2-CB 4.35Å; L504-I563 HydrophobicContact CD2-CG1 4.05Å; L504-I563 HydrophobicContact CD2-CG2 4.11Å; L504-C566 HydrophobicContact CD1-CB 3.64Å; L504-C566 HydrophobicContact CD2-CB 4.15Å
505	R	88.1	Confident	85.8	Confident	53 Å²	53	32 Å²	32	20%	0.2	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-41.2	176.9	-63	-68.4	176.2	165	1.7	111.7	E449 D452 R501 V502 M508 H509	E449-R505 HydrophobicContact CG-CG 4.34Å; E449-R505 IonicContact OE1-CZ 2.8Å; E449-R505 VanDerWaalsContact OE1-CZ 3.25Å; E449-R505 IonicContact OE1-NE 3.2Å; E449-R505 PolarHBondContact OE1-NE 3.46Å; E449-R505 IonicContact OE1-NH2 3.69Å; E449-R505 PolarHBondContact OE1-NH2 3.15Å; D452-R505 VanDerWaalsContact OD2-CD 3.29Å; D452-R505 WeakPolarHBondContact OD2-CD 3.32Å; D452-R505 IonicContact OD2-CZ 2.7Å; D452-R505 IonicContact OD2-NE 3.06Å; D452-R505 IonicContact OD2-NH1 2.92Å; D452-R505 PolarHBondContact OD2-NH1 2.98Å; R501-R505 WeakPolarHBondContact O-CG 3.48Å; R501-R505 PolarHBondContact O-N 2.82Å; V502-R505 PolarHBondContact O-N 3.43Å; V502-R505 VanDerWaalsContact O-N 3.08Å; R505-M508 PolarHBondContact O-N 3.04Å; R505-H509 PolarHBondContact O-CD2 3.34Å; R505-H509 PolarHBondContact O-N 3.42Å
506	R	88.6	Confident	85.5	Confident	35 Å²	35	36.5 Å²	36.5	13%	0.132	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-41.2	174.3	-178.3	54.9	178.8	-159.8	-12.3	112.6	C480 I483 D484 L487 V502 Y503 L504 H509 T510 L550	C480-R506 PolarHBondContact O-NH1 3.45Å; I483-R506 HydrophobicContact CG2-CB 3.97Å; D484-R506 IonicContact OD1-CZ 2.72Å; D484-R506 IonicContact OD1-NE 2.7Å; D484-R506 PolarHBondContact OD1-NE 2.96Å; D484-R506 IonicContact OD1-NH1 2.69Å; D484-R506 PolarHBondContact OD1-NH1 3.28Å; D484-R506 IonicContact OD1-NH2 3.37Å; D484-R506 PolarHBondContact OD1-NH2 3.43Å; D484-R506 IonicContact OD2-CZ 3.67Å; D484-R506 IonicContact OD2-NH1 3.15Å; D484-R506 PolarHBondContact OD2-NH1 2.82Å; D484-R506 IonicContact OD2-NH2 2.59Å; D484-R506 PolarHBondContact OD2-NH2 2.92Å; L487-R506 HydrophobicContact CD1-CB 4.08Å; L487-R506 HydrophobicContact CD1-CG 4.13Å; V502-R506 PolarHBondContact O-N 3.24Å; Y503-R506 PolarHBondContact O-N 2.96Å; L504-R506 PolarHBondContact O-N 3.41Å; R506-H509 PolarHBondContact O-N 2.91Å; R506-T510 WeakPolarHBondContact O-CG2 3.48Å; R506-T510 PolarHBondContact O-N 3.33Å; R506-T510 PolarHBondContact O-OG1 3.21Å; R506-L550 HydrophobicContact CB-CD1 4.25Å; R506-L550 HydrophobicContact CG-CD1 3.9Å
507	I	89.7	Confident	84.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-46.3	173.2	-73.9	162.6	0	0	0	110.2	Y503 L504 H509 T510 Y511 M547 L550 I554 C570	Y503-I507 WeakPolarHBondContact O-CB 3.38Å; Y503-I507 WeakPolarHBondContact O-CD1 3.05Å; Y503-I507 WeakPolarHBondContact O-CG1 3.39Å; Y503-I507 PolarHBondContact O-N 3.4Å; L504-I507 PolarHBondContact O-N 3.19Å; I507-H509 PolarHBondContact O-N 2.96Å; I507-T510 WeakPolarHBondContact CA-OG1 3.15Å; I507-T510 PolarHBondContact O-N 3.43Å; I507-T510 PolarHBondContact O-OG1 2.92Å; I507-T510 VanDerWaalsContact O-OG1 3.13Å; I507-Y511 WeakPolarHBondContact O-CB 3.44Å; I507-Y511 WeakPolarHBondContact O-CD1 3.31Å; I507-Y511 PolarHBondContact O-N 3.35Å; I507-M547 HydrophobicContact CB-SD 4.33Å; I507-M547 HydrophobicContact CG1-CE 4.43Å; I507-M547 HydrophobicContact CG1-SD 3.92Å; I507-M547 HydrophobicContact CG2-CE 4.18Å; I507-M547 HydrophobicContact CG2-SD 3.78Å; I507-L550 HydrophobicContact CD1-CB 3.85Å; I507-L550 HydrophobicContact CG1-CB 4.08Å; I507-L550 HydrophobicContact CG1-CD1 4.13Å; I507-I554 HydrophobicContact CD1-CD1 3.73Å; I507-C570 HydrophobicContact CG2-CB 3.37Å
508	M	87.3	Confident	83.6	Confident	56 Å²	56	35.8 Å²	35.8	28%	0.276	16%	0.159	S	C	.	.	H	α-helix	trans	-60.2	-29.8	-179.3	-74.5	-63.6	-64.8	0	0	113.7	L504 R505 Y511 C570	L504-M508 HydrophobicContact CD1-CG 4.21Å; L504-M508 HydrophobicContact CG-CG 4.37Å; L504-M508 WeakPolarHBondContact O-CB 3.24Å; L504-M508 VanDerWaalsContact O-CG 3.24Å; L504-M508 WeakPolarHBondContact O-CG 3.35Å; L504-M508 PolarHBondContact O-N 2.67Å; R505-M508 PolarHBondContact O-N 3.04Å; M508-Y511 HydrophobicContact CE-CE1 4.21Å; M508-Y511 VanDerWaalsContact O-CD1 3.26Å; M508-Y511 WeakPolarHBondContact O-CD1 3.05Å; M508-Y511 WeakPolarHBondContact O-CE1 3.37Å; M508-Y511 HydrophobicContact SD-CE1 4.05Å; M508-C570 VanDerWaalsContact SD-SG 3.66Å
509	H	86.6	Confident	82.6	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.056	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.5	176.5	-80.1	-70.6	0	0	0	115.1	D452 E476 R505 R506 I507 K513	D452-H509 IonicContact OD1-CD2 3.02Å; D452-H509 IonicContact OD1-CE1 2.72Å; D452-H509 PolarHBondContact OD1-CE1 3.01Å; D452-H509 IonicContact OD1-NE2 2.63Å; D452-H509 PolarHBondContact OD1-NE2 3.45Å; E476-H509 IonicContact OE1-ND1 3.95Å; E476-H509 PolarHBondContact OE1-ND1 3.04Å; R505-H509 PolarHBondContact O-CD2 3.34Å; R505-H509 PolarHBondContact O-N 3.42Å; R506-H509 PolarHBondContact O-N 2.91Å; I507-H509 PolarHBondContact O-N 2.96Å; H509-K513 WeakPolarHBondContact O-CD 3.42Å; H509-K513 WeakPolarHBondContact O-CE 3.46Å; H509-K513 PolarHBondContact O-NZ 2.94Å
510	T	85.8	Confident	81.2	Confident	19 Å²	19	43.7 Å²	43.7	12%	0.117	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-33.9	-176.8	49.9	0	0	0	0	114	R506 I507 Y512 K513 M547	R506-T510 WeakPolarHBondContact O-CG2 3.48Å; R506-T510 PolarHBondContact O-N 3.33Å; R506-T510 PolarHBondContact O-OG1 3.21Å; I507-T510 WeakPolarHBondContact CA-OG1 3.15Å; I507-T510 PolarHBondContact O-N 3.43Å; I507-T510 PolarHBondContact O-OG1 2.92Å; I507-T510 VanDerWaalsContact O-OG1 3.13Å; T510-Y512 PolarHBondContact O-N 2.94Å; T510-K513 PolarHBondContact O-N 3.35Å; T510-K513 VanDerWaalsContact O-N 3.17Å; T510-M547 WeakPolarHBondContact OG1-CE 3.5Å
511	Y	90.1	Very high	79.8	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.6	-170.2	80.1	-82	0	0	0	115.6	I507 M508 C570 Y573 L607 R610 M674	I507-Y511 WeakPolarHBondContact O-CB 3.44Å; I507-Y511 WeakPolarHBondContact O-CD1 3.31Å; I507-Y511 PolarHBondContact O-N 3.35Å; M508-Y511 HydrophobicContact CE-CE1 4.21Å; M508-Y511 VanDerWaalsContact O-CD1 3.26Å; M508-Y511 WeakPolarHBondContact O-CD1 3.05Å; M508-Y511 WeakPolarHBondContact O-CE1 3.37Å; M508-Y511 HydrophobicContact SD-CE1 4.05Å; Y511-C570 HydrophobicContact CD1-CB 4.4Å; Y511-C570 HydrophobicContact CD2-CB 4.25Å; Y511-C570 HydrophobicContact CG-CB 3.91Å; Y511-Y573 AromaticContact CD2-CD1 3.58Å; Y511-Y573 HydrophobicContact CD2-CD1 3.58Å; Y511-Y573 HydrophobicContact CD2-CD2 4.37Å; Y511-Y573 HydrophobicContact CD2-CE1 4.23Å; Y511-Y573 AromaticContact CD2-CG 3.68Å; Y511-Y573 HydrophobicContact CD2-CG 3.68Å; Y511-Y573 AromaticContact CE2-CD1 3.95Å; Y511-Y573 HydrophobicContact CE2-CD1 3.95Å; Y511-Y573 HydrophobicContact CE2-CD2 4.09Å; Y511-Y573 HydrophobicContact CE2-CE1 4.28Å; Y511-Y573 HydrophobicContact CE2-CE2 4.41Å; Y511-Y573 AromaticContact CE2-CG 3.87Å; Y511-Y573 HydrophobicContact CE2-CG 3.87Å; Y511-L607 HydrophobicContact CE2-CD1 4.11Å; Y511-R610 PolarHBondContact OH-NH1 3.28Å; Y511-M674 HydrophobicContact CE1-CE 3.91Å; Y511-M674 WeakPolarHBondContact OH-CE 3.3Å
512	Y	89.1	Confident	78.3	Confident	28 Å²	28	50.4 Å²	50.4	11%	0.11	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-9.9	-173.5	74	-90.3	0	0	0	113.8	E476 T510 L577 H673 M674	E476-Y512 PolarHBondContact OE1-OH 3.44Å; T510-Y512 PolarHBondContact O-N 2.94Å; Y512-L577 WeakPolarHBondContact O-CD2 3.31Å; Y512-H673 AromaticContact CE2-CD2 3.86Å; Y512-H673 AromaticContact CZ-CD2 3.83Å; Y512-H673 PolarHBondContact OH-CD2 2.94Å; Y512-M674 HydrophobicContact CD1-CE 3.53Å; Y512-M674 HydrophobicContact CE1-CE 3.58Å; Y512-M674 HydrophobicContact CG-CE 4.2Å
513	K	87.1	Confident	76.7	Confident	71 Å²	71	55.2 Å²	55.2	31%	0.309	26%	0.255	S	S	.	.	S	Bend	trans	-85.7	128.8	178.5	-68	172.7	-178.7	154.1	0	109.3	E476 H509 T510 D515	E476-K513 VanDerWaalsContact OE1-CE 3.25Å; E476-K513 WeakPolarHBondContact OE1-CE 3.45Å; E476-K513 IonicContact OE1-NZ 3.15Å; E476-K513 PolarHBondContact OE1-NZ 2.93Å; E476-K513 WeakPolarHBondContact OE2-CE 3.41Å; E476-K513 IonicContact OE2-NZ 2.72Å; E476-K513 PolarHBondContact OE2-NZ 3.17Å; H509-K513 WeakPolarHBondContact O-CD 3.42Å; H509-K513 WeakPolarHBondContact O-CE 3.46Å; H509-K513 PolarHBondContact O-NZ 2.94Å; T510-K513 PolarHBondContact O-N 3.35Å; T510-K513 VanDerWaalsContact O-N 3.17Å; K513-D515 PolarHBondContact O-N 3.11Å
514	F	81.9	Confident	74.5	Confident	20 Å²	20	57.5 Å²	57.5	9%	0.088	28%	0.282	C	S	.	.			trans	-78.8	119.1	173.7	-177	-93.8	0	0	0	109.3	Y516 H519 L577 H578 P769	F514-Y516 VanDerWaalsContact C-N 3.35Å; F514-Y516 HydrophobicContact CB-CE2 4.4Å; F514-Y516 AromaticContact CD1-CD1 3.7Å; F514-Y516 HydrophobicContact CD1-CD1 3.7Å; F514-Y516 HydrophobicContact CD1-CD2 4.15Å; F514-Y516 AromaticContact CD1-CE1 3.71Å; F514-Y516 HydrophobicContact CD1-CE1 3.71Å; F514-Y516 HydrophobicContact CD1-CE2 4.17Å; F514-Y516 AromaticContact CD1-CG 3.92Å; F514-Y516 HydrophobicContact CD1-CG 3.92Å; F514-Y516 AromaticContact CD1-CZ 3.95Å; F514-Y516 AromaticContact CE1-CD1 3.92Å; F514-Y516 HydrophobicContact CE1-CD1 3.92Å; F514-Y516 HydrophobicContact CE1-CE1 4.09Å; F514-Y516 HydrophobicContact CE1-CG 4.42Å; F514-Y516 WeakPolarHBondContact O-CD2 3.38Å; F514-Y516 PolarHBondContact O-N 2.99Å; F514-H519 HydrophobicContact CE1-CB 3.69Å; F514-H519 AromaticContact CE1-CD2 3.8Å; F514-H519 AromaticContact CE1-CG 3.8Å; F514-H519 HydrophobicContact CZ-CB 3.91Å; F514-H519 AromaticContact CZ-CD2 3.88Å; F514-H519 AromaticContact CZ-CG 3.71Å; F514-L577 HydrophobicContact CB-CD1 4.48Å; F514-L577 HydrophobicContact CB-CD2 4.42Å; F514-L577 HydrophobicContact CB-CG 4.42Å; F514-L577 HydrophobicContact CD2-CD1 4.47Å; F514-L577 HydrophobicContact CD2-CG 4.21Å; F514-H578 AromaticContact CD2-CE1 3.79Å; F514-H578 AromaticContact CE2-CE1 3.93Å; F514-H578 AromaticContact CE2-ND1 3.77Å; F514-P769 HydrophobicContact CB-CG 4.24Å; F514-P769 HydrophobicContact CD1-CB 3.71Å; F514-P769 HydrophobicContact CD1-CG 4.19Å; F514-P769 HydrophobicContact CD2-CB 3.88Å; F514-P769 HydrophobicContact CD2-CG 3.82Å; F514-P769 HydrophobicContact CE1-CB 3.62Å; F514-P769 HydrophobicContact CE2-CB 3.8Å; F514-P769 HydrophobicContact CE2-CG 4.17Å; F514-P769 HydrophobicContact CG-CB 3.83Å; F514-P769 HydrophobicContact CG-CG 3.82Å; F514-P769 HydrophobicContact CZ-CB 3.66Å; F514-P769 HydrophobicContact CZ-CG 4.5Å
515	D	76.3	Confident	72.7	Confident	28 Å²	28	62 Å²	62	15%	0.15	31%	0.306	C	S	.	.			trans	-71.5	86.5	177.8	-170.6	-14.8	0	0	0	111.6	K513 K517 A518 H519 S543 H578	K513-D515 PolarHBondContact O-N 3.11Å; D515-K517 PolarHBondContact O-N 2.85Å; D515-K517 WeakPolarHBondContact OD1-CA 3.08Å; D515-K517 WeakPolarHBondContact OD1-CB 3.47Å; D515-K517 PolarHBondContact OD1-N 3.37Å; D515-A518 HydrophobicContact CB-CB 4.11Å; D515-A518 VanDerWaalsContact CG-CB 3.46Å; D515-A518 PolarHBondContact O-N 3.25Å; D515-A518 PolarHBondContact OD1-N 3.22Å; D515-A518 WeakPolarHBondContact OD2-CB 3.44Å; D515-H519 WeakPolarHBondContact O-CB 3.42Å; D515-H519 PolarHBondContact O-N 2.92Å; D515-S543 PolarHBondContact OD2-N 3.3Å; D515-H578 PolarHBondContact N-CE1 3.33Å; D515-H578 PolarHBondContact N-NE2 2.83Å
516	Y	72.8	Confident	70.4	Confident	145 Å²	145	67.9 Å²	67.9	57%	0.569	34%	0.335	S	S	*	.	H	α-helix	trans	-62.8	-24.2	172.5	-67.6	-77.8	0	0	0	113.1	F514 R520 P769	F514-Y516 VanDerWaalsContact C-N 3.35Å; F514-Y516 HydrophobicContact CB-CE2 4.4Å; F514-Y516 AromaticContact CD1-CD1 3.7Å; F514-Y516 HydrophobicContact CD1-CD1 3.7Å; F514-Y516 HydrophobicContact CD1-CD2 4.15Å; F514-Y516 AromaticContact CD1-CE1 3.71Å; F514-Y516 HydrophobicContact CD1-CE1 3.71Å; F514-Y516 HydrophobicContact CD1-CE2 4.17Å; F514-Y516 AromaticContact CD1-CG 3.92Å; F514-Y516 HydrophobicContact CD1-CG 3.92Å; F514-Y516 AromaticContact CD1-CZ 3.95Å; F514-Y516 AromaticContact CE1-CD1 3.92Å; F514-Y516 HydrophobicContact CE1-CD1 3.92Å; F514-Y516 HydrophobicContact CE1-CE1 4.09Å; F514-Y516 HydrophobicContact CE1-CG 4.42Å; F514-Y516 WeakPolarHBondContact O-CD2 3.38Å; F514-Y516 PolarHBondContact O-N 2.99Å; Y516-R520 VanDerWaalsContact O-CB 3.25Å; Y516-R520 WeakPolarHBondContact O-CB 3.41Å; Y516-R520 PolarHBondContact O-N 3.09Å; Y516-P769 HydrophobicContact CE1-CB 4.43Å
517	K	66.1	Low	68.2	Low	110 Å²	110	69.2 Å²	69.2	48%	0.478	36%	0.36	S	S	.	.	H	α-helix	trans	-73.5	-44.9	178.2	-66.1	-173.7	172.4	-170.2	0	110.8	D515 R521 E537	D515-K517 PolarHBondContact O-N 2.85Å; D515-K517 WeakPolarHBondContact OD1-CA 3.08Å; D515-K517 WeakPolarHBondContact OD1-CB 3.47Å; D515-K517 PolarHBondContact OD1-N 3.37Å; K517-R521 WeakPolarHBondContact O-CG 3.14Å; K517-R521 PolarHBondContact O-N 2.98Å; K517-R521 VanDerWaalsContact O-N 3.15Å; K517-R521 PolarHBondContact O-NE 3.46Å; K517-R521 VanDerWaalsContact O-NE 3.16Å; K517-E537 IonicContact NZ-OE2 2.79Å; K517-E537 PolarHBondContact NZ-OE2 2.91Å
518	A	60.5	Low	65.8	Low	23 Å²	23	78.6 Å²	78.6	19%	0.19	40%	0.404	C	S	.	.	H	α-helix	trans	-65.8	-39	171.7	0	0	0	0	0	111.6	D515 R521 S522	D515-A518 HydrophobicContact CB-CB 4.11Å; D515-A518 VanDerWaalsContact CG-CB 3.46Å; D515-A518 PolarHBondContact O-N 3.25Å; D515-A518 PolarHBondContact OD1-N 3.22Å; D515-A518 WeakPolarHBondContact OD2-CB 3.44Å; A518-R521 PolarHBondContact O-N 3.44Å; A518-S522 VanDerWaalsContact O-CB 3.31Å; A518-S522 WeakPolarHBondContact O-CB 3.21Å; A518-S522 PolarHBondContact O-N 2.86Å
519	H	58.5	Low	63.1	Low	41 Å²	41	81.7 Å²	81.7	19%	0.19	43%	0.426	C	S	.	.	H	α-helix	trans	-65.7	-44.2	177.2	-167.6	51.9	0	0	0	112.6	F514 D515 R521 S522 L523	F514-H519 HydrophobicContact CE1-CB 3.69Å; F514-H519 AromaticContact CE1-CD2 3.8Å; F514-H519 AromaticContact CE1-CG 3.8Å; F514-H519 HydrophobicContact CZ-CB 3.91Å; F514-H519 AromaticContact CZ-CD2 3.88Å; F514-H519 AromaticContact CZ-CG 3.71Å; D515-H519 WeakPolarHBondContact O-CB 3.42Å; D515-H519 PolarHBondContact O-N 2.92Å; H519-R521 VanDerWaalsContact C-N 3.34Å; H519-R521 PolarHBondContact O-N 3.14Å; H519-S522 PolarHBondContact O-N 2.97Å; H519-L523 WeakPolarHBondContact O-CG 3.48Å; H519-L523 PolarHBondContact O-N 3.26Å
520	R	56.7	Low	61	Low	165 Å²	165	91 Å²	91	62%	0.623	47%	0.467	S	S	*	.	H	α-helix	trans	-62.4	-38.8	175.8	-170.2	-177.8	-64.8	168	-1	112.3	Y516 L525	Y516-R520 VanDerWaalsContact O-CB 3.25Å; Y516-R520 WeakPolarHBondContact O-CB 3.41Å; Y516-R520 PolarHBondContact O-N 3.09Å; R520-L525 HydrophobicContact CG-CB 4.04Å; R520-L525 PolarHBondContact O-N 3.4Å
521	R	57.8	Low	58.5	Low	107 Å²	107	92.6 Å²	92.6	40%	0.404	48%	0.479	S	S	.	.	H	α-helix	trans	-64.6	-43.5	172.1	-75.7	179.8	-73.2	144.3	0.8	112	K517 A518 H519 L523 G524 D542	K517-R521 WeakPolarHBondContact O-CG 3.14Å; K517-R521 PolarHBondContact O-N 2.98Å; K517-R521 VanDerWaalsContact O-N 3.15Å; K517-R521 PolarHBondContact O-NE 3.46Å; K517-R521 VanDerWaalsContact O-NE 3.16Å; A518-R521 PolarHBondContact O-N 3.44Å; H519-R521 VanDerWaalsContact C-N 3.34Å; H519-R521 PolarHBondContact O-N 3.14Å; R521-L523 VanDerWaalsContact C-N 3.33Å; R521-L523 PolarHBondContact O-N 2.96Å; R521-G524 PolarHBondContact O-N 2.81Å; R521-G524 VanDerWaalsContact O-N 3.15Å; R521-D542 IonicContact CZ-OD1 3.52Å; R521-D542 IonicContact NH1-OD1 3.68Å; R521-D542 PolarHBondContact NH1-OD1 3.07Å; R521-D542 IonicContact NH2-OD1 3.37Å; R521-D542 PolarHBondContact NH2-OD1 3.24Å
522	S	54	Low	55.8	Low	105 Å²	105	100.9 Å²	100.9	73%	0.734	52%	0.518	S	S	*	.	H	α-helix	trans	-64.8	-32.6	177.5	-170.7	0	0	0	0	113.5	A518 H519 G524	A518-S522 VanDerWaalsContact O-CB 3.31Å; A518-S522 WeakPolarHBondContact O-CB 3.21Å; A518-S522 PolarHBondContact O-N 2.86Å; H519-S522 PolarHBondContact O-N 2.97Å; S522-G524 PolarHBondContact O-N 2.89Å
523	L	53.5	Low	53.1	Low	103 Å²	103	107.5 Å²	107.5	54%	0.539	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.3	174.3	-73.7	170.7	0	0	0	114.4	H519 R521 L525	H519-L523 WeakPolarHBondContact O-CG 3.48Å; H519-L523 PolarHBondContact O-N 3.26Å; R521-L523 VanDerWaalsContact C-N 3.33Å; R521-L523 PolarHBondContact O-N 2.96Å; L523-L525 HydrophobicContact CB-CD1 4.17Å; L523-L525 HydrophobicContact CB-CG 4.4Å; L523-L525 HydrophobicContact CD1-CD1 4.44Å; L523-L525 PolarHBondContact O-N 3.39Å
524	G	44.9	Very low	50.8	Low	61 Å²	61	108.2 Å²	108.2	63%	0.629	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.7	11.2	179.9	0	0	0	0	0	115.1	R521 S522 Q526	R521-G524 PolarHBondContact O-N 2.81Å; R521-G524 VanDerWaalsContact O-N 3.15Å; S522-G524 PolarHBondContact O-N 2.89Å; G524-Q526 PolarHBondContact O-N 3.42Å
525	L	50.2	Low	48.4	Very low	119 Å²	119	113.1 Å²	113.1	62%	0.623	58%	0.58	S	S	*	*			trans	-78.4	63.4	-179.2	-74.8	166.1	0	0	0	111.7	R520 L523	R520-L525 HydrophobicContact CG-CB 4.04Å; R520-L525 PolarHBondContact O-N 3.4Å; L523-L525 HydrophobicContact CB-CD1 4.17Å; L523-L525 HydrophobicContact CB-CG 4.4Å; L523-L525 HydrophobicContact CD1-CD1 4.44Å; L523-L525 PolarHBondContact O-N 3.39Å
526	Q	40.6	Very low	46.5	Very low	176 Å²	176	120.2 Å²	120.2	82%	0.822	61%	0.612	S	S	*	*			trans	-96.4	84.4	165.2	-76.6	-168.2	-21.8	0	0	110.1	G524	G524-Q526 PolarHBondContact O-N 3.42Å
527	G	41.9	Very low	45	Very low	64 Å²	64	119 Å²	119	66%	0.66	61%	0.612	S	S	*	*			trans	-167.6	126.9	173	0	0	0	0	0	110.8
528	E	40.6	Very low	43.5	Very low	197 Å²	197	117.7 Å²	117.7	92%	0.921	62%	0.616	S	S	*	*	S	Bend	trans	50.3	99.6	163.6	-58.6	175.5	-167.3	0	0	115.4
529	T	30	Very low	42.6	Very low	121 Å²	121	125.2 Å²	125.2	74%	0.742	65%	0.647	S	S	*	*			cis	-129.6	147.8	47.4	49.8	0	0	0	0	114
530	K	42.4	Very low	42	Very low	207 Å²	207	125.6 Å²	125.6	90%	0.9	66%	0.663	S	S	*	*			trans	-92.8	106.4	170.2	-69.7	-175.8	177.6	-176.9	0	110.9
531	S	33	Very low	42	Very low	53 Å²	53	122.7 Å²	122.7	37%	0.371	66%	0.656	S	S	.	*			trans	-104.5	142.6	158.7	-16.4	0	0	0	0	108	Q533 D534	S531-Q533 PolarHBondContact O-N 3.01Å; S531-D534 WeakPolarHBondContact CB-OD2 3.49Å; S531-D534 PolarHBondContact O-N 3.31Å; S531-D534 VanDerWaalsContact O-N 3.15Å; S531-D534 PolarHBondContact OG-OD2 3.5Å
532	E	34.4	Very low	42.4	Very low	175 Å²	175	119.9 Å²	119.9	82%	0.818	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-21.6	-175.7	-66.2	178.8	142.4	0	0	112.6	D534 Q535	E532-D534 VanDerWaalsContact C-N 3.32Å; E532-D534 PolarHBondContact O-N 3.17Å; E532-Q535 PolarHBondContact O-N 3.5Å
533	Q	32.5	Very low	43.4	Very low	167 Å²	167	116 Å²	116	78%	0.78	62%	0.621	S	S	*	*	H	α-helix	trans	-68.7	-25	172.1	-63.6	-177.8	-69.4	0	0	113.6	S531 Q535	S531-Q533 PolarHBondContact O-N 3.01Å; Q533-Q535 PolarHBondContact O-N 3.02Å
534	D	37.3	Very low	44.5	Very low	85 Å²	85	112.4 Å²	112.4	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-73.1	-11.5	178.9	-66.6	-67.4	0	0	0	112.8	S531 E532 S538	S531-D534 WeakPolarHBondContact CB-OD2 3.49Å; S531-D534 PolarHBondContact O-N 3.31Å; S531-D534 VanDerWaalsContact O-N 3.15Å; S531-D534 PolarHBondContact OG-OD2 3.5Å; E532-D534 VanDerWaalsContact C-N 3.32Å; E532-D534 PolarHBondContact O-N 3.17Å; D534-S538 PolarHBondContact O-N 2.86Å
535	Q	33.1	Very low	46.4	Very low	124 Å²	124	113.9 Å²	113.9	58%	0.579	60%	0.599	S	S	*	*	H	α-helix	trans	-78.9	-46	-176.3	-65.4	-176.5	40.5	0	0	112.2	E532 Q533 E537 S538	E532-Q535 PolarHBondContact O-N 3.5Å; Q533-Q535 PolarHBondContact O-N 3.02Å; Q535-E537 VanDerWaalsContact C-N 3.31Å; Q535-E537 PolarHBondContact O-N 2.83Å; Q535-S538 WeakPolarHBondContact O-CB 3.38Å; Q535-S538 PolarHBondContact O-N 3.16Å; Q535-S538 VanDerWaalsContact O-N 3.17Å
536	E	35.8	Very low	48	Very low	177 Å²	177	109.8 Å²	109.8	83%	0.827	58%	0.578	S	S	*	*	H	α-helix	trans	-68.1	-32.7	174.6	-63.8	-176.4	153.4	0	0	111.4	S538	E536-S538 PolarHBondContact O-N 2.96Å
537	E	40.4	Very low	50.2	Low	120 Å²	120	101.4 Å²	101.4	56%	0.561	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-74.1	-5.1	173.5	-75.5	-156.7	-165.2	0	0	114.7	K517 Q535	K517-E537 IonicContact NZ-OE2 2.79Å; K517-E537 PolarHBondContact NZ-OE2 2.91Å; Q535-E537 VanDerWaalsContact C-N 3.31Å; Q535-E537 PolarHBondContact O-N 2.83Å
538	S	35.6	Very low	52.3	Low	81 Å²	81	101 Å²	101	57%	0.566	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-83.5	-10.7	179.4	-170.7	0	0	0	0	114	D534 Q535 E536	D534-S538 PolarHBondContact O-N 2.86Å; Q535-S538 WeakPolarHBondContact O-CB 3.38Å; Q535-S538 PolarHBondContact O-N 3.16Å; Q535-S538 VanDerWaalsContact O-N 3.17Å; E536-S538 PolarHBondContact O-N 2.96Å
539	E	40.2	Very low	54.7	Low	181 Å²	181	96.4 Å²	96.4	85%	0.846	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-100	5.1	-176.5	-59	-161.7	151	0	0	114.2	E541	E539-E541 PolarHBondContact O-N 3.44Å
540	G	46.6	Very low	57.5	Low	50 Å²	50	90.8 Å²	90.8	52%	0.515	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-64.6	129.4	178.4	0	0	0	0	0	113.3	D542	G540-D542 PolarHBondContact O-N 3.38Å
541	E	56.6	Low	59.7	Low	104 Å²	104	80.9 Å²	80.9	49%	0.486	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-54.7	135.3	170.5	-67.7	-174	117.2	0	0	110.8	E539 S543 I546 R549	E539-E541 PolarHBondContact O-N 3.44Å; E541-S543 PolarHBondContact O-N 3.33Å; E541-I546 HydrophobicContact CB-CD1 4.02Å; E541-I546 HydrophobicContact CB-CG1 3.8Å; E541-I546 WeakPolarHBondContact O-CD1 3.38Å; E541-R549 IonicContact OE1-NH1 2.66Å; E541-R549 PolarHBondContact OE1-NH1 2.9Å; E541-R549 IonicContact OE2-CZ 2.62Å; E541-R549 IonicContact OE2-NH1 3.23Å; E541-R549 PolarHBondContact OE2-NH1 3.15Å; E541-R549 IonicContact OE2-NH2 2.77Å
542	D	67.6	Low	62.4	Low	48 Å²	48	83.9 Å²	83.9	26%	0.257	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-54.9	136.9	178.4	-68.8	-3.9	0	0	0	111	R521 G540 A544 I545 I546	R521-D542 IonicContact CZ-OD1 3.52Å; R521-D542 IonicContact NH1-OD1 3.68Å; R521-D542 PolarHBondContact NH1-OD1 3.07Å; R521-D542 IonicContact NH2-OD1 3.37Å; R521-D542 PolarHBondContact NH2-OD1 3.24Å; G540-D542 PolarHBondContact O-N 3.38Å; D542-A544 PolarHBondContact O-N 3.4Å; D542-I545 HydrophobicContact CB-CB 4.43Å; D542-I545 HydrophobicContact CB-CD1 4.01Å; D542-I545 HydrophobicContact CB-CG1 4.06Å; D542-I545 PolarHBondContact O-N 3.23Å; D542-I546 PolarHBondContact O-N 3.04Å; D542-I546 VanDerWaalsContact O-N 3.08Å
543	S	74.1	Confident	65.1	Low	22 Å²	22	78.3 Å²	78.3	15%	0.154	40%	0.398	C	S	.	.	H	α-helix	trans	-56.9	-24.8	178.8	-176.1	0	0	0	0	112.5	D515 E541 M547	D515-S543 PolarHBondContact OD2-N 3.3Å; E541-S543 PolarHBondContact O-N 3.33Å; S543-M547 VanDerWaalsContact O-CB 3.23Å; S543-M547 WeakPolarHBondContact O-CB 3.36Å; S543-M547 PolarHBondContact O-N 2.87Å
544	A	77.1	Confident	67.8	Low	28 Å²	28	70.4 Å²	70.4	23%	0.231	36%	0.36	C	S	.	.	H	α-helix	trans	-69.5	-38.7	173.1	0	0	0	0	0	114.1	D542 D548 H574	D542-A544 PolarHBondContact O-N 3.4Å; A544-D548 WeakPolarHBondContact O-CB 3.19Å; A544-D548 PolarHBondContact O-N 3.24Å; A544-D548 VanDerWaalsContact O-N 3.08Å; A544-H574 WeakPolarHBondContact CA-NE2 3.48Å
545	I	84	Confident	70.3	Confident	92 Å²	92	69.4 Å²	69.4	47%	0.472	35%	0.351	S	S	.	.	H	α-helix	trans	-73.5	-42.2	178.7	-64	171.6	0	0	0	109.4	D542 D548 R549	D542-I545 HydrophobicContact CB-CB 4.43Å; D542-I545 HydrophobicContact CB-CD1 4.01Å; D542-I545 HydrophobicContact CB-CG1 4.06Å; D542-I545 PolarHBondContact O-N 3.23Å; I545-D548 PolarHBondContact O-N 2.96Å; I545-R549 WeakPolarHBondContact O-CB 3.49Å; I545-R549 PolarHBondContact O-N 2.93Å
546	I	83.8	Confident	73	Confident	33 Å²	33	67.2 Å²	67.2	17%	0.169	35%	0.354	C	S	.	.	H	α-helix	trans	-57.8	-51.8	172.8	-60.8	173.4	0	0	0	109.9	E541 D542 D548 R549 L550	E541-I546 HydrophobicContact CB-CD1 4.02Å; E541-I546 HydrophobicContact CB-CG1 3.8Å; E541-I546 WeakPolarHBondContact O-CD1 3.38Å; D542-I546 PolarHBondContact O-N 3.04Å; D542-I546 VanDerWaalsContact O-N 3.08Å; I546-D548 PolarHBondContact O-N 3.32Å; I546-R549 PolarHBondContact O-N 2.85Å; I546-L550 HydrophobicContact CG2-CD1 3.68Å; I546-L550 HydrophobicContact CG2-CG 4.18Å; I546-L550 VanDerWaalsContact O-CG 3.26Å; I546-L550 WeakPolarHBondContact O-CG 3.34Å; I546-L550 PolarHBondContact O-N 3.23Å
547	M	86.4	Confident	75.4	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-55.9	-47.8	179.1	-172.4	64.3	53.4	0	0	112.1	I507 T510 S543 C551 H574	I507-M547 HydrophobicContact CB-SD 4.33Å; I507-M547 HydrophobicContact CG1-CE 4.43Å; I507-M547 HydrophobicContact CG1-SD 3.92Å; I507-M547 HydrophobicContact CG2-CE 4.18Å; I507-M547 HydrophobicContact CG2-SD 3.78Å; T510-M547 WeakPolarHBondContact OG1-CE 3.5Å; S543-M547 VanDerWaalsContact O-CB 3.23Å; S543-M547 WeakPolarHBondContact O-CB 3.36Å; S543-M547 PolarHBondContact O-N 2.87Å; M547-C551 VanDerWaalsContact O-CB 3.23Å; M547-C551 WeakPolarHBondContact O-CB 3.3Å; M547-C551 PolarHBondContact O-N 3.5Å; M547-C551 PolarHBondContact O-SG 2.97Å; M547-H574 HydrophobicContact CE-CB 4.43Å; M547-H574 HydrophobicContact CG-CB 4.27Å
548	D	87.6	Confident	77.4	Confident	55 Å²	55	59.2 Å²	59.2	29%	0.294	32%	0.315	S	S	.	.	H	α-helix	trans	-65	-41.9	179.7	-178.2	54.7	0	0	0	112.4	A544 I545 I546 K552 H571	A544-D548 WeakPolarHBondContact O-CB 3.19Å; A544-D548 PolarHBondContact O-N 3.24Å; A544-D548 VanDerWaalsContact O-N 3.08Å; I545-D548 PolarHBondContact O-N 2.96Å; I546-D548 PolarHBondContact O-N 3.32Å; D548-K552 VanDerWaalsContact O-CB 3.26Å; D548-K552 WeakPolarHBondContact O-CB 3.36Å; D548-K552 VanDerWaalsContact O-CG 3.31Å; D548-K552 WeakPolarHBondContact O-CG 3.45Å; D548-K552 PolarHBondContact O-N 2.9Å; D548-K552 WeakPolarHBondContact OD1-CD 3.32Å; D548-K552 WeakPolarHBondContact OD1-CE 3.47Å; D548-K552 IonicContact OD1-NZ 3.15Å; D548-K552 PolarHBondContact OD1-NZ 3.32Å; D548-K552 IonicContact OD2-NZ 3.5Å; D548-K552 PolarHBondContact OD2-NZ 2.87Å; D548-H571 IonicContact OD1-CE1 3.62Å
549	R	89.6	Confident	79.6	Confident	101 Å²	101	64.6 Å²	64.6	38%	0.381	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-51.1	175.7	-174.4	172.3	86.3	-136.9	5.1	111.7	E541 I545 I546 F553	E541-R549 IonicContact OE1-NH1 2.66Å; E541-R549 PolarHBondContact OE1-NH1 2.9Å; E541-R549 IonicContact OE2-CZ 2.62Å; E541-R549 IonicContact OE2-NH1 3.23Å; E541-R549 PolarHBondContact OE2-NH1 3.15Å; E541-R549 IonicContact OE2-NH2 2.77Å; I545-R549 WeakPolarHBondContact O-CB 3.49Å; I545-R549 PolarHBondContact O-N 2.93Å; I546-R549 PolarHBondContact O-N 2.85Å; R549-F553 PolarHBondContact O-N 3.34Å; R549-F553 VanDerWaalsContact O-N 3.15Å
550	L	88.6	Confident	81.5	Confident	2 Å²	2	59 Å²	59	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-44.8	-177.4	-61.6	177.7	0	0	0	111.4	L487 Y503 R506 I507 I546 F553 I554	L487-L550 HydrophobicContact CD1-CD2 4.3Å; Y503-L550 HydrophobicContact CD1-CD2 3.66Å; Y503-L550 HydrophobicContact CD2-CB 4.13Å; Y503-L550 HydrophobicContact CD2-CD2 3.55Å; Y503-L550 HydrophobicContact CD2-CG 4.43Å; Y503-L550 HydrophobicContact CE1-CD2 3.79Å; Y503-L550 HydrophobicContact CE2-CD2 3.67Å; Y503-L550 HydrophobicContact CG-CB 4.37Å; Y503-L550 HydrophobicContact CG-CD2 3.55Å; Y503-L550 HydrophobicContact CG-CG 4.46Å; R506-L550 HydrophobicContact CB-CD1 4.25Å; R506-L550 HydrophobicContact CG-CD1 3.9Å; I507-L550 HydrophobicContact CD1-CB 3.85Å; I507-L550 HydrophobicContact CG1-CB 4.08Å; I507-L550 HydrophobicContact CG1-CD1 4.13Å; I546-L550 HydrophobicContact CG2-CD1 3.68Å; I546-L550 HydrophobicContact CG2-CG 4.18Å; I546-L550 VanDerWaalsContact O-CG 3.26Å; I546-L550 WeakPolarHBondContact O-CG 3.34Å; I546-L550 PolarHBondContact O-N 3.23Å; L550-F553 PolarHBondContact O-N 2.96Å; L550-I554 WeakPolarHBondContact O-CG1 3.49Å; L550-I554 PolarHBondContact O-N 3.48Å; L550-I554 VanDerWaalsContact O-N 3.11Å
551	C	89.2	Confident	83.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.6	-44.4	178.2	-73	0	0	0	0	112.5	M547 F553 I554 Y555 H571	M547-C551 VanDerWaalsContact O-CB 3.23Å; M547-C551 WeakPolarHBondContact O-CB 3.3Å; M547-C551 PolarHBondContact O-N 3.5Å; M547-C551 PolarHBondContact O-SG 2.97Å; C551-F553 VanDerWaalsContact C-N 3.3Å; C551-F553 PolarHBondContact O-N 3.32Å; C551-I554 PolarHBondContact O-N 2.8Å; C551-Y555 HydrophobicContact CB-CE1 4.3Å; C551-Y555 HydrophobicContact CB-CE2 4.34Å; C551-Y555 WeakPolarHBondContact O-CD1 3.47Å; C551-Y555 PolarHBondContact O-N 3.12Å; C551-H571 VanDerWaalsContact CB-ND1 3.35Å; C551-H571 WeakPolarHBondContact CB-ND1 3.49Å
552	K	90.9	Very high	84.6	Confident	116 Å²	116	63.1 Å²	63.1	50%	0.504	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-36.9	176.6	-79.3	170.8	171.7	157.4	0	112.7	D548 Y555 A556	D548-K552 VanDerWaalsContact O-CB 3.26Å; D548-K552 WeakPolarHBondContact O-CB 3.36Å; D548-K552 VanDerWaalsContact O-CG 3.31Å; D548-K552 WeakPolarHBondContact O-CG 3.45Å; D548-K552 PolarHBondContact O-N 2.9Å; D548-K552 WeakPolarHBondContact OD1-CD 3.32Å; D548-K552 WeakPolarHBondContact OD1-CE 3.47Å; D548-K552 IonicContact OD1-NZ 3.15Å; D548-K552 PolarHBondContact OD1-NZ 3.32Å; D548-K552 IonicContact OD2-NZ 3.5Å; D548-K552 PolarHBondContact OD2-NZ 2.87Å; K552-Y555 PolarHBondContact O-N 3.41Å; K552-A556 WeakPolarHBondContact O-CB 3.47Å; K552-A556 PolarHBondContact O-N 2.87Å; K552-A556 VanDerWaalsContact O-N 3.15Å
553	F	89.6	Confident	85.6	Confident	58 Å²	58	61.7 Å²	61.7	25%	0.254	30%	0.297	S	S	.	.	H	α-helix	trans	-63.2	-47.4	174	-173.2	-86.5	0	0	0	111.5	I499 Y503 R549 L550 C551 Y555 A556 K557	I499-F553 HydrophobicContact CB-CE1 4.27Å; I499-F553 HydrophobicContact CG2-CD1 4.26Å; I499-F553 HydrophobicContact CG2-CE1 3.56Å; I499-F553 HydrophobicContact CG2-CZ 3.9Å; Y503-F553 HydrophobicContact CD2-CB 4.06Å; Y503-F553 AromaticContact CD2-CD1 3.76Å; Y503-F553 HydrophobicContact CD2-CD1 3.76Å; Y503-F553 HydrophobicContact CD2-CG 4.12Å; Y503-F553 HydrophobicContact CE2-CB 3.72Å; Y503-F553 AromaticContact CE2-CD1 3.48Å; Y503-F553 HydrophobicContact CE2-CD1 3.48Å; Y503-F553 VanDerWaalsContact CE2-CD1 3.48Å; Y503-F553 HydrophobicContact CE2-CD2 4.24Å; Y503-F553 HydrophobicContact CE2-CE1 4.11Å; Y503-F553 AromaticContact CE2-CG 3.56Å; Y503-F553 HydrophobicContact CE2-CG 3.56Å; R549-F553 PolarHBondContact O-N 3.34Å; R549-F553 VanDerWaalsContact O-N 3.15Å; L550-F553 PolarHBondContact O-N 2.96Å; C551-F553 VanDerWaalsContact C-N 3.3Å; C551-F553 PolarHBondContact O-N 3.32Å; F553-Y555 PolarHBondContact O-N 3.46Å; F553-A556 PolarHBondContact O-N 2.88Å; F553-K557 HydrophobicContact CD1-CB 4.27Å; F553-K557 HydrophobicContact CD1-CG 4.24Å; F553-K557 HydrophobicContact CD2-CG 4.29Å; F553-K557 HydrophobicContact CE1-CB 4.01Å; F553-K557 HydrophobicContact CE1-CG 4Å; F553-K557 HydrophobicContact CE2-CG 4.07Å; F553-K557 HydrophobicContact CG-CG 4.38Å; F553-K557 HydrophobicContact CZ-CB 4.37Å; F553-K557 HydrophobicContact CZ-CG 3.92Å; F553-K557 WeakPolarHBondContact O-CB 3.41Å; F553-K557 WeakPolarHBondContact O-CG 3.45Å; F553-K557 PolarHBondContact O-N 2.96Å
554	I	89.7	Confident	86.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-56.8	-51.1	175.4	-69.1	170.7	0	0	0	110.3	C500 I507 L550 C551 A556 K557 D558 I563 A567	C500-I554 HydrophobicContact CB-CG1 4.4Å; I507-I554 HydrophobicContact CD1-CD1 3.73Å; L550-I554 WeakPolarHBondContact O-CG1 3.49Å; L550-I554 PolarHBondContact O-N 3.48Å; L550-I554 VanDerWaalsContact O-N 3.11Å; C551-I554 PolarHBondContact O-N 2.8Å; I554-A556 PolarHBondContact O-N 3.32Å; I554-A556 VanDerWaalsContact O-N 3.13Å; I554-K557 PolarHBondContact O-N 3.4Å; I554-D558 HydrophobicContact CG2-CB 4Å; I554-D558 WeakPolarHBondContact O-CB 3.47Å; I554-D558 PolarHBondContact O-N 3.08Å; I554-I563 HydrophobicContact CD1-CG2 4.24Å; I554-I563 HydrophobicContact CG2-CG2 3.95Å; I554-A567 HydrophobicContact CB-CB 4.4Å; I554-A567 HydrophobicContact CD1-CB 3.82Å; I554-A567 HydrophobicContact CG2-CB 3.93Å
555	Y	89.2	Confident	87	Confident	65 Å²	65	64.9 Å²	64.9	26%	0.255	30%	0.302	S	S	.	.	H	α-helix	trans	-56.8	-33.1	-179.6	-57.8	-15.9	0	0	0	113.3	C551 K552 F553 A567 I568 H571	C551-Y555 HydrophobicContact CB-CE1 4.3Å; C551-Y555 HydrophobicContact CB-CE2 4.34Å; C551-Y555 WeakPolarHBondContact O-CD1 3.47Å; C551-Y555 PolarHBondContact O-N 3.12Å; K552-Y555 PolarHBondContact O-N 3.41Å; F553-Y555 PolarHBondContact O-N 3.46Å; Y555-A567 HydrophobicContact CE1-CB 4.39Å; Y555-I568 HydrophobicContact CE1-CB 3.95Å; Y555-I568 WeakPolarHBondContact OH-CA 3.47Å; Y555-I568 WeakPolarHBondContact OH-CG1 3.36Å; Y555-H571 PolarHBondContact OH-ND1 3.17Å
556	A	89.8	Confident	87.3	Confident	77 Å²	77	61.1 Å²	61.1	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-92.5	-17.9	-177	0	0	0	0	0	115	K552 F553 I554	K552-A556 WeakPolarHBondContact O-CB 3.47Å; K552-A556 PolarHBondContact O-N 2.87Å; K552-A556 VanDerWaalsContact O-N 3.15Å; F553-A556 PolarHBondContact O-N 2.88Å; I554-A556 PolarHBondContact O-N 3.32Å; I554-A556 VanDerWaalsContact O-N 3.13Å
557	K	86.1	Confident	87.6	Confident	116 Å²	116	59.5 Å²	59.5	50%	0.504	28%	0.276	S	S	.	.	H	α-helix	trans	-125.2	-15.6	-171.4	-60.6	-62.3	-178.3	-177	0	115	F553 I554 R559	F553-K557 HydrophobicContact CD1-CB 4.27Å; F553-K557 HydrophobicContact CD1-CG 4.24Å; F553-K557 HydrophobicContact CD2-CG 4.29Å; F553-K557 HydrophobicContact CE1-CB 4.01Å; F553-K557 HydrophobicContact CE1-CG 4Å; F553-K557 HydrophobicContact CE2-CG 4.07Å; F553-K557 HydrophobicContact CG-CG 4.38Å; F553-K557 HydrophobicContact CZ-CB 4.37Å; F553-K557 HydrophobicContact CZ-CG 3.92Å; F553-K557 WeakPolarHBondContact O-CB 3.41Å; F553-K557 WeakPolarHBondContact O-CG 3.45Å; F553-K557 PolarHBondContact O-N 2.96Å; I554-K557 PolarHBondContact O-N 3.4Å; K557-R559 PolarHBondContact O-N 3.44Å
558	D	83.5	Confident	87.9	Confident	13 Å²	13	60.6 Å²	60.6	7%	0.07	28%	0.281	C	S	.	.			trans	-73.5	125.8	-177.6	-172.1	14.8	0	0	0	112.5	I554 T560 I563 R564	I554-D558 HydrophobicContact CG2-CB 4Å; I554-D558 WeakPolarHBondContact O-CB 3.47Å; I554-D558 PolarHBondContact O-N 3.08Å; D558-T560 WeakPolarHBondContact OD1-CA 3.32Å; D558-T560 WeakPolarHBondContact OD1-CB 3.41Å; D558-T560 PolarHBondContact OD1-N 3.32Å; D558-T560 PolarHBondContact OD1-OG1 3.45Å; D558-T560 PolarHBondContact OD2-OG1 3.29Å; D558-I563 VanDerWaalsContact OD2-CB 3.26Å; D558-I563 WeakPolarHBondContact OD2-CB 3.38Å; D558-R564 PolarHBondContact O-NH2 3.22Å; D558-R564 WeakPolarHBondContact OD2-CB 3.44Å; D558-R564 PolarHBondContact OD2-N 2.92Å
559	R	81.6	Confident	88.2	Confident	195 Å²	195	58 Å²	58	74%	0.736	27%	0.267	S	S	*	.			trans	-89.4	-16.4	174	-70.3	166.1	171	-176.7	-2.2	112.5	E497 K557	E497-R559 WeakPolarHBondContact OE1-CD 3.34Å; E497-R559 IonicContact OE1-CZ 3.55Å; E497-R559 IonicContact OE1-NE 3.57Å; E497-R559 IonicContact OE1-NH1 2.71Å; E497-R559 PolarHBondContact OE1-NH1 2.88Å; K557-R559 PolarHBondContact O-N 3.44Å
560	T	79.2	Confident	88.3	Confident	64 Å²	64	53.2 Å²	53.2	39%	0.393	25%	0.249	S	C	.	.			trans	-89.3	157.6	173.2	77.9	0	0	0	0	110	D558 I563	D558-T560 WeakPolarHBondContact OD1-CA 3.32Å; D558-T560 WeakPolarHBondContact OD1-CB 3.41Å; D558-T560 PolarHBondContact OD1-N 3.32Å; D558-T560 PolarHBondContact OD1-OG1 3.45Å; D558-T560 PolarHBondContact OD2-OG1 3.29Å; T560-I563 WeakPolarHBondContact OG1-CB 3.38Å; T560-I563 PolarHBondContact OG1-N 3.39Å
561	D	82.2	Confident	88.5	Confident	114 Å²	114	53.4 Å²	53.4	61%	0.61	25%	0.25	S	C	*	.	S	Bend	trans	-95	-22.6	172	-161.4	45.4	0	0	0	111.8	T565	D561-T565 VanDerWaalsContact O-CB 3.28Å; D561-T565 WeakPolarHBondContact O-CB 3.13Å; D561-T565 PolarHBondContact O-N 3.04Å; D561-T565 PolarHBondContact O-OG1 3.25Å
562	R	87.4	Confident	88.7	Confident	125 Å²	125	53.4 Å²	53.4	47%	0.472	25%	0.25	S	C	.	.	H	α-helix	trans	-62.8	-54.6	178.5	-178.7	-175.5	-168.9	70.8	9.6	112.3	T565 C566 D601	R562-T565 PolarHBondContact O-N 2.66Å; R562-C566 PolarHBondContact O-N 3.32Å; R562-C566 PolarHBondContact O-SG 3.09Å; R562-D601 IonicContact CZ-OD1 3.37Å; R562-D601 IonicContact CZ-OD2 2.71Å; R562-D601 IonicContact NH1-OD1 2.68Å; R562-D601 PolarHBondContact NH1-OD1 3.29Å; R562-D601 IonicContact NH1-OD2 3.2Å; R562-D601 PolarHBondContact NH1-OD2 3.36Å; R562-D601 VanDerWaalsContact NH1-OD2 3.14Å; R562-D601 IonicContact NH2-OD1 2.88Å; R562-D601 IonicContact NH2-OD2 2.9Å; R562-D601 PolarHBondContact NH2-OD2 2.83Å
563	I	88	Confident	88.9	Confident	18 Å²	18	48.4 Å²	48.4	9%	0.092	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-45	-171.1	-67.8	167.4	0	0	0	109.4	R501 L504 I554 D558 T560 T565 C566 A567	R501-I563 HydrophobicContact CG-CD1 3.51Å; L504-I563 HydrophobicContact CB-CG2 4.1Å; L504-I563 HydrophobicContact CD2-CB 4.35Å; L504-I563 HydrophobicContact CD2-CG1 4.05Å; L504-I563 HydrophobicContact CD2-CG2 4.11Å; I554-I563 HydrophobicContact CD1-CG2 4.24Å; I554-I563 HydrophobicContact CG2-CG2 3.95Å; D558-I563 VanDerWaalsContact OD2-CB 3.26Å; D558-I563 WeakPolarHBondContact OD2-CB 3.38Å; T560-I563 WeakPolarHBondContact OG1-CB 3.38Å; T560-I563 PolarHBondContact OG1-N 3.39Å; I563-T565 PolarHBondContact O-N 3.02Å; I563-C566 PolarHBondContact O-N 2.92Å; I563-A567 VanDerWaalsContact O-CB 3.32Å; I563-A567 WeakPolarHBondContact O-CB 3.4Å; I563-A567 PolarHBondContact O-N 3.45Å
564	R	90.1	Very high	89	Confident	99 Å²	99	45.7 Å²	45.7	37%	0.374	22%	0.216	S	C	.	.	H	α-helix	trans	-47.3	-52.3	166.1	-175.1	-172.6	-58.6	-139.9	-2.7	113.5	D558 A567 I568	D558-R564 PolarHBondContact O-NH2 3.22Å; D558-R564 WeakPolarHBondContact OD2-CB 3.44Å; D558-R564 PolarHBondContact OD2-N 2.92Å; R564-A567 PolarHBondContact O-N 2.95Å; R564-I568 PolarHBondContact O-N 3.21Å
565	T	90	Very high	89	Confident	19 Å²	19	46.4 Å²	46.4	12%	0.117	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-44.1	179.3	-63.5	0	0	0	0	112	D561 R562 I563 I568 L569 L593 V604	D561-T565 VanDerWaalsContact O-CB 3.28Å; D561-T565 WeakPolarHBondContact O-CB 3.13Å; D561-T565 PolarHBondContact O-N 3.04Å; D561-T565 PolarHBondContact O-OG1 3.25Å; R562-T565 PolarHBondContact O-N 2.66Å; I563-T565 PolarHBondContact O-N 3.02Å; T565-I568 WeakPolarHBondContact O-CG2 3.5Å; T565-L569 HydrophobicContact CG2-CD1 4.29Å; T565-L569 VanDerWaalsContact O-CG 3.32Å; T565-L569 WeakPolarHBondContact O-CG 3.45Å; T565-L569 PolarHBondContact O-N 2.79Å; T565-L593 HydrophobicContact CG2-CD1 4.33Å; T565-L593 HydrophobicContact CG2-CD2 3.89Å; T565-V604 HydrophobicContact CG2-CG1 3.81Å
566	C	90	Very high	89.1	Confident	12 Å²	12	43.3 Å²	43.3	8%	0.081	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-43.7	175.1	-62.8	0	0	0	0	111.8	L504 R562 I563 L569 C570 L607	L504-C566 HydrophobicContact CD1-CB 3.64Å; L504-C566 HydrophobicContact CD2-CB 4.15Å; R562-C566 PolarHBondContact O-N 3.32Å; R562-C566 PolarHBondContact O-SG 3.09Å; I563-C566 PolarHBondContact O-N 2.92Å; C566-L569 PolarHBondContact O-N 2.95Å; C566-C570 PolarHBondContact O-N 2.93Å; C566-C570 PolarHBondContact O-SG 3.26Å; C566-C570 VanDerWaalsContact O-SG 3.41Å; C566-L607 HydrophobicContact CB-CD2 4.49Å
567	A	91.3	Very high	89.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-44.5	-178.6	0	0	0	0	0	112.2	I554 Y555 I563 R564 C570 H571	I554-A567 HydrophobicContact CB-CB 4.4Å; I554-A567 HydrophobicContact CD1-CB 3.82Å; I554-A567 HydrophobicContact CG2-CB 3.93Å; Y555-A567 HydrophobicContact CE1-CB 4.39Å; I563-A567 VanDerWaalsContact O-CB 3.32Å; I563-A567 WeakPolarHBondContact O-CB 3.4Å; I563-A567 PolarHBondContact O-N 3.45Å; R564-A567 PolarHBondContact O-N 2.95Å; A567-C570 PolarHBondContact O-N 3.23Å; A567-H571 WeakPolarHBondContact O-CB 3.27Å; A567-H571 PolarHBondContact O-N 3.34Å
568	I	91.9	Very high	89.1	Confident	24 Å²	24	36.6 Å²	36.6	12%	0.123	17%	0.165	C	C	.	.	H	α-helix	trans	-67.7	-36.7	178.6	-167.9	159.7	0	0	0	112.5	Y555 R564 T565 H571 I572 L593	Y555-I568 HydrophobicContact CE1-CB 3.95Å; Y555-I568 WeakPolarHBondContact OH-CA 3.47Å; Y555-I568 WeakPolarHBondContact OH-CG1 3.36Å; R564-I568 PolarHBondContact O-N 3.21Å; T565-I568 WeakPolarHBondContact O-CG2 3.5Å; I568-H571 PolarHBondContact O-N 3.17Å; I568-I572 HydrophobicContact CG1-CD1 3.91Å; I568-I572 HydrophobicContact CG1-CG1 4.36Å; I568-I572 WeakPolarHBondContact O-CB 3.19Å; I568-I572 WeakPolarHBondContact O-CD1 3.32Å; I568-I572 WeakPolarHBondContact O-CG1 3.49Å; I568-I572 PolarHBondContact O-N 3.42Å; I568-L593 HydrophobicContact CG2-CD1 3.9Å
569	L	93.4	Very high	89.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-45.1	174.2	-67.6	174.4	0	0	0	111.9	T565 C566 H571 I572 Y573 M588 L593 V604 L607 Y608 T611	T565-L569 HydrophobicContact CG2-CD1 4.29Å; T565-L569 VanDerWaalsContact O-CG 3.32Å; T565-L569 WeakPolarHBondContact O-CG 3.45Å; T565-L569 PolarHBondContact O-N 2.79Å; C566-L569 PolarHBondContact O-N 2.95Å; L569-H571 VanDerWaalsContact C-N 3.34Å; L569-H571 PolarHBondContact O-N 2.9Å; L569-I572 PolarHBondContact O-N 2.93Å; L569-Y573 WeakPolarHBondContact O-CB 3.27Å; L569-Y573 PolarHBondContact O-N 3.29Å; L569-M588 HydrophobicContact CD2-CE 4.38Å; L569-L593 HydrophobicContact CD2-CD1 3.82Å; L569-L593 HydrophobicContact CG-CD1 4.14Å; L569-V604 HydrophobicContact CD1-CG1 3.96Å; L569-L607 HydrophobicContact CB-CD2 3.88Å; L569-L607 HydrophobicContact CB-CG 3.94Å; L569-L607 HydrophobicContact CD1-CB 4.43Å; L569-L607 HydrophobicContact CD1-CD2 4.14Å; L569-L607 HydrophobicContact CD1-CG 4.15Å; L569-Y608 HydrophobicContact CD2-CD2 3.91Å; L569-T611 HydrophobicContact CD2-CG2 4.49Å; L569-T611 PolarHBondContact O-OG1 2.86Å
570	C	92.7	Very high	89.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-38.2	174.2	-70	0	0	0	0	112.5	I507 M508 Y511 C566 A567 Y573 H574	I507-C570 HydrophobicContact CG2-CB 3.37Å; M508-C570 VanDerWaalsContact SD-SG 3.66Å; Y511-C570 HydrophobicContact CD1-CB 4.4Å; Y511-C570 HydrophobicContact CD2-CB 4.25Å; Y511-C570 HydrophobicContact CG-CB 3.91Å; C566-C570 PolarHBondContact O-N 2.93Å; C566-C570 PolarHBondContact O-SG 3.26Å; C566-C570 VanDerWaalsContact O-SG 3.41Å; A567-C570 PolarHBondContact O-N 3.23Å; C570-Y573 PolarHBondContact O-N 3.47Å; C570-H574 WeakPolarHBondContact O-CB 3.49Å; C570-H574 PolarHBondContact O-N 2.98Å
571	H	92.8	Very high	90	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.028	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-46.3	176.8	-157	170.1	0	0	0	111.5	D548 C551 Y555 A567 I568 L569 Y573 H574 H575	D548-H571 IonicContact OD1-CE1 3.62Å; C551-H571 VanDerWaalsContact CB-ND1 3.35Å; C551-H571 WeakPolarHBondContact CB-ND1 3.49Å; Y555-H571 PolarHBondContact OH-ND1 3.17Å; A567-H571 WeakPolarHBondContact O-CB 3.27Å; A567-H571 PolarHBondContact O-N 3.34Å; I568-H571 PolarHBondContact O-N 3.17Å; L569-H571 VanDerWaalsContact C-N 3.34Å; L569-H571 PolarHBondContact O-N 2.9Å; H571-Y573 PolarHBondContact O-N 3.19Å; H571-H574 PolarHBondContact O-N 3.1Å; H571-H575 AromaticContact CD2-CD2 3.43Å; H571-H575 PolarHBondContact CD2-CD2 2.88Å; H571-H575 VanDerWaalsContact CD2-CD2 3.43Å; H571-H575 AromaticContact CD2-NE2 3.34Å; H571-H575 PolarHBondContact CD2-NE2 3.28Å; H571-H575 VanDerWaalsContact CD2-NE2 3.34Å; H571-H575 AromaticContact NE2-CD2 3.85Å; H571-H575 AromaticContact NE2-NE2 3.22Å; H571-H575 PolarHBondContact NE2-NE2 2.8Å; H571-H575 PolarHBondContact O-CD2 3Å; H571-H575 PolarHBondContact O-N 3.45Å
572	I	93.5	Very high	90.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.4	-45.3	175	-67.3	160.5	0	0	0	110.5	I568 L569 H574 H575 A576 A584 L587 M588 T611 L615	I568-I572 HydrophobicContact CG1-CD1 3.91Å; I568-I572 HydrophobicContact CG1-CG1 4.36Å; I568-I572 WeakPolarHBondContact O-CB 3.19Å; I568-I572 WeakPolarHBondContact O-CD1 3.32Å; I568-I572 WeakPolarHBondContact O-CG1 3.49Å; I568-I572 PolarHBondContact O-N 3.42Å; L569-I572 PolarHBondContact O-N 2.93Å; I572-H574 PolarHBondContact O-N 3.49Å; I572-H575 PolarHBondContact O-N 2.59Å; I572-A576 WeakPolarHBondContact O-CB 3.48Å; I572-A576 PolarHBondContact O-N 3.2Å; I572-A584 HydrophobicContact CG2-CB 4.17Å; I572-L587 HydrophobicContact CD1-CB 4.18Å; I572-L587 HydrophobicContact CG1-CB 3.65Å; I572-L587 HydrophobicContact CG1-CD1 4.43Å; I572-M588 HydrophobicContact CD1-CB 4Å; I572-M588 HydrophobicContact CD1-CE 4.18Å; I572-M588 HydrophobicContact CD1-SD 4.38Å; I572-M588 HydrophobicContact CG2-CE 4.37Å; I572-T611 HydrophobicContact CB-CG2 3.82Å; I572-T611 HydrophobicContact CG2-CG2 3.48Å; I572-T611 VanDerWaalsContact CG2-CG2 3.48Å; I572-L615 HydrophobicContact CG2-CD1 3.84Å; I572-L615 HydrophobicContact CG2-CD2 3.99Å; I572-L615 HydrophobicContact CG2-CG 3.94Å
573	Y	93.9	Very high	90.7	Very high	12 Å²	12	28.7 Å²	28.7	5%	0.047	13%	0.125	C	C	.	.	H	α-helix	trans	-58.4	-46.1	176.7	-168.5	-71.3	0	0	0	111.4	Y511 L569 C570 H571 A576 L577 R610 Q614 I676	Y511-Y573 AromaticContact CD2-CD1 3.58Å; Y511-Y573 HydrophobicContact CD2-CD1 3.58Å; Y511-Y573 HydrophobicContact CD2-CD2 4.37Å; Y511-Y573 HydrophobicContact CD2-CE1 4.23Å; Y511-Y573 AromaticContact CD2-CG 3.68Å; Y511-Y573 HydrophobicContact CD2-CG 3.68Å; Y511-Y573 AromaticContact CE2-CD1 3.95Å; Y511-Y573 HydrophobicContact CE2-CD1 3.95Å; Y511-Y573 HydrophobicContact CE2-CD2 4.09Å; Y511-Y573 HydrophobicContact CE2-CE1 4.28Å; Y511-Y573 HydrophobicContact CE2-CE2 4.41Å; Y511-Y573 AromaticContact CE2-CG 3.87Å; Y511-Y573 HydrophobicContact CE2-CG 3.87Å; L569-Y573 WeakPolarHBondContact O-CB 3.27Å; L569-Y573 PolarHBondContact O-N 3.29Å; C570-Y573 PolarHBondContact O-N 3.47Å; H571-Y573 PolarHBondContact O-N 3.19Å; Y573-A576 PolarHBondContact O-N 3.09Å; Y573-L577 HydrophobicContact CD1-CB 4.5Å; Y573-L577 HydrophobicContact CE1-CD2 4.45Å; Y573-L577 VanDerWaalsContact O-CB 3.3Å; Y573-L577 WeakPolarHBondContact O-CB 3.38Å; Y573-L577 PolarHBondContact O-N 3.08Å; Y573-R610 HydrophobicContact CE2-CB 4.32Å; Y573-Q614 HydrophobicContact CD1-CG 4.19Å; Y573-Q614 HydrophobicContact CD2-CB 3.87Å; Y573-Q614 HydrophobicContact CD2-CG 4.12Å; Y573-Q614 HydrophobicContact CE1-CG 4.05Å; Y573-Q614 HydrophobicContact CE2-CB 3.78Å; Y573-Q614 HydrophobicContact CE2-CG 3.98Å; Y573-Q614 HydrophobicContact CG-CB 4.39Å; Y573-Q614 HydrophobicContact CG-CG 4.21Å; Y573-I676 HydrophobicContact CE2-CD1 4.27Å
574	H	91.6	Very high	90.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-66.9	-35.2	179	178.4	73.6	0	0	0	112.9	A544 M547 C570 H571 I572 H578 R580	A544-H574 WeakPolarHBondContact CA-NE2 3.48Å; M547-H574 HydrophobicContact CE-CB 4.43Å; M547-H574 HydrophobicContact CG-CB 4.27Å; C570-H574 WeakPolarHBondContact O-CB 3.49Å; C570-H574 PolarHBondContact O-N 2.98Å; H571-H574 PolarHBondContact O-N 3.1Å; I572-H574 PolarHBondContact O-N 3.49Å; H574-H578 AromaticContact CE1-CD2 3.39Å; H574-H578 PolarHBondContact CE1-CD2 2.88Å; H574-H578 AromaticContact CE1-NE2 3.56Å; H574-H578 AromaticContact ND1-CD2 3.7Å; H574-H578 AromaticContact NE2-CD2 3.93Å; H574-H578 PolarHBondContact O-CD2 3.48Å; H574-H578 PolarHBondContact O-N 3.08Å; H574-R580 PolarHBondContact CD2-NH2 2.69Å; H574-R580 PolarHBondContact NE2-NH2 3.3Å; H574-R580 PolarHBondContact O-NH2 3.37Å; H574-R580 VanDerWaalsContact O-NH2 3.12Å
575	H	90.5	Very high	90.9	Very high	15 Å²	15	27.2 Å²	27.2	7%	0.069	12%	0.119	C	C	.	.	H	α-helix	trans	-64.5	-46.3	169.5	-78	-73.2	0	0	0	111.7	H571 I572 H578 S579 R580 Q583 A584	H571-H575 AromaticContact CD2-CD2 3.43Å; H571-H575 PolarHBondContact CD2-CD2 2.88Å; H571-H575 VanDerWaalsContact CD2-CD2 3.43Å; H571-H575 AromaticContact CD2-NE2 3.34Å; H571-H575 PolarHBondContact CD2-NE2 3.28Å; H571-H575 VanDerWaalsContact CD2-NE2 3.34Å; H571-H575 AromaticContact NE2-CD2 3.85Å; H571-H575 AromaticContact NE2-NE2 3.22Å; H571-H575 PolarHBondContact NE2-NE2 2.8Å; H571-H575 PolarHBondContact O-CD2 3Å; H571-H575 PolarHBondContact O-N 3.45Å; I572-H575 PolarHBondContact O-N 2.59Å; H575-H578 CarbonylContact O-C 3.5Å; H575-H578 PolarHBondContact O-N 2.83Å; H575-S579 PolarHBondContact O-N 2.98Å; H575-R580 HydrophobicContact CB-CB 4.18Å; H575-R580 WeakPolarHBondContact O-CB 3.49Å; H575-R580 PolarHBondContact O-N 3.03Å; H575-Q583 PolarHBondContact CE1-OE1 3.18Å; H575-Q583 PolarHBondContact ND1-OE1 3.41Å; H575-A584 HydrophobicContact CB-CB 3.73Å
576	A	90.9	Very high	91	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-38.8	-179.4	0	0	0	0	0	113	I572 Y573 H578 S579 A584 Q614 L615 C618	I572-A576 WeakPolarHBondContact O-CB 3.48Å; I572-A576 PolarHBondContact O-N 3.2Å; Y573-A576 PolarHBondContact O-N 3.09Å; A576-H578 VanDerWaalsContact C-N 3.27Å; A576-H578 PolarHBondContact O-N 2.72Å; A576-S579 PolarHBondContact O-N 3.29Å; A576-A584 HydrophobicContact CB-CB 4.23Å; A576-Q614 HydrophobicContact CB-CB 4.38Å; A576-Q614 HydrophobicContact CB-CG 3.89Å; A576-L615 HydrophobicContact CB-CD2 4.4Å; A576-C618 HydrophobicContact CB-CB 3.82Å; A576-C618 WeakPolarHBondContact O-CB 3.49Å; A576-C618 PolarHBondContact O-SG 3.25Å
577	L	89.9	Confident	91	Very high	16 Å²	16	30.5 Å²	30.5	8%	0.084	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-36.8	173.5	-178.3	62.4	0	0	0	112.4	Y512 F514 Y573 S579 R621	Y512-L577 WeakPolarHBondContact O-CD2 3.31Å; F514-L577 HydrophobicContact CB-CD1 4.48Å; F514-L577 HydrophobicContact CB-CD2 4.42Å; F514-L577 HydrophobicContact CB-CG 4.42Å; F514-L577 HydrophobicContact CD2-CD1 4.47Å; F514-L577 HydrophobicContact CD2-CG 4.21Å; Y573-L577 HydrophobicContact CD1-CB 4.5Å; Y573-L577 HydrophobicContact CE1-CD2 4.45Å; Y573-L577 VanDerWaalsContact O-CB 3.3Å; Y573-L577 WeakPolarHBondContact O-CB 3.38Å; Y573-L577 PolarHBondContact O-N 3.08Å; L577-S579 PolarHBondContact O-N 3.43Å; L577-R621 PolarHBondContact O-NH1 3.47Å
578	H	86.6	Confident	91	Very high	36 Å²	36	30.9 Å²	30.9	17%	0.167	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	25.4	179.3	-79.5	-80.7	0	0	0	114.2	F514 D515 H574 H575 A576 R580	F514-H578 AromaticContact CD2-CE1 3.79Å; F514-H578 AromaticContact CE2-CE1 3.93Å; F514-H578 AromaticContact CE2-ND1 3.77Å; D515-H578 PolarHBondContact N-CE1 3.33Å; D515-H578 PolarHBondContact N-NE2 2.83Å; H574-H578 AromaticContact CE1-CD2 3.39Å; H574-H578 PolarHBondContact CE1-CD2 2.88Å; H574-H578 AromaticContact CE1-NE2 3.56Å; H574-H578 AromaticContact ND1-CD2 3.7Å; H574-H578 AromaticContact NE2-CD2 3.93Å; H574-H578 PolarHBondContact O-CD2 3.48Å; H574-H578 PolarHBondContact O-N 3.08Å; H575-H578 CarbonylContact O-C 3.5Å; H575-H578 PolarHBondContact O-N 2.83Å; A576-H578 VanDerWaalsContact C-N 3.27Å; A576-H578 PolarHBondContact O-N 2.72Å; H578-R580 PolarHBondContact O-N 3.08Å
579	S	84.4	Confident	91	Very high	11 Å²	11	34.1 Å²	34.1	8%	0.077	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	8.9	176.8	-54.4	0	0	0	0	115.1	H575 A576 L577 W581 R621 Q622 E770	H575-S579 PolarHBondContact O-N 2.98Å; A576-S579 PolarHBondContact O-N 3.29Å; L577-S579 PolarHBondContact O-N 3.43Å; S579-W581 VanDerWaalsContact C-N 3.25Å; S579-W581 PolarHBondContact O-N 2.82Å; S579-R621 PolarHBondContact OG-NE 3.36Å; S579-R621 PolarHBondContact OG-NH2 2.95Å; S579-Q622 PolarHBondContact O-NE2 3.15Å; S579-E770 PolarHBondContact OG-OE1 2.78Å
580	R	89.1	Confident	90.8	Very high	65 Å²	65	40.9 Å²	40.9	25%	0.245	19%	0.187	C	C	.	.			trans	-85	59.4	-175	-68.9	170.1	-66.4	173.2	-4.8	111.6	H574 H575 H578 Y582 Q583 A584	H574-R580 PolarHBondContact CD2-NH2 2.69Å; H574-R580 PolarHBondContact NE2-NH2 3.3Å; H574-R580 PolarHBondContact O-NH2 3.37Å; H574-R580 VanDerWaalsContact O-NH2 3.12Å; H575-R580 HydrophobicContact CB-CB 4.18Å; H575-R580 WeakPolarHBondContact O-CB 3.49Å; H575-R580 PolarHBondContact O-N 3.03Å; H578-R580 PolarHBondContact O-N 3.08Å; R580-Y582 PolarHBondContact O-N 3.25Å; R580-Q583 PolarHBondContact O-N 2.86Å; R580-A584 PolarHBondContact O-N 3.15Å; R580-A584 VanDerWaalsContact O-N 3.15Å
581	W	90.5	Very high	90.6	Very high	21 Å²	21	42.2 Å²	42.2	8%	0.08	20%	0.196	C	C	.	.	H	α-helix	trans	-53.4	-50.2	-170.3	-178.6	74.1	0	0	0	114.3	S579 Q583 A584 R585 Q622 M624 D627	S579-W581 VanDerWaalsContact C-N 3.25Å; S579-W581 PolarHBondContact O-N 2.82Å; W581-Q583 PolarHBondContact O-N 2.7Å; W581-A584 PolarHBondContact O-N 2.62Å; W581-R585 WeakPolarHBondContact O-CB 3.34Å; W581-R585 PolarHBondContact O-N 2.86Å; W581-Q622 HydrophobicContact CB-CG 4.08Å; W581-M624 HydrophobicContact CH2-CE 3.99Å; W581-M624 HydrophobicContact CH2-CG 4.45Å; W581-D627 HydrophobicContact CZ2-CB 4.42Å
582	Y	92.4	Very high	90.4	Very high	148 Å²	148	47.6 Å²	47.6	58%	0.58	22%	0.221	S	C	*	.	H	α-helix	trans	-56.9	-47	-177.9	-61.2	-78.8	0	0	0	112.3	R580 A584 R585 D586	R580-Y582 PolarHBondContact O-N 3.25Å; Y582-A584 PolarHBondContact O-N 3.34Å; Y582-R585 PolarHBondContact O-N 3.19Å; Y582-D586 WeakPolarHBondContact O-CB 3.33Å; Y582-D586 PolarHBondContact O-N 2.84Å
583	Q	90.1	Very high	90.1	Very high	99 Å²	99	48.4 Å²	48.4	46%	0.463	23%	0.225	S	C	.	.	H	α-helix	trans	-62.9	-43.6	177.9	-67.4	172.6	-22.9	0	0	111.6	H575 R580 W581 L587	H575-Q583 PolarHBondContact CE1-OE1 3.18Å; H575-Q583 PolarHBondContact ND1-OE1 3.41Å; R580-Q583 PolarHBondContact O-N 2.86Å; W581-Q583 PolarHBondContact O-N 2.7Å; Q583-L587 WeakPolarHBondContact O-CB 3.34Å; Q583-L587 VanDerWaalsContact O-CG 3.3Å; Q583-L587 WeakPolarHBondContact O-CG 3.45Å; Q583-L587 PolarHBondContact O-N 3.47Å
584	A	92.2	Very high	89.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-42.9	178.3	0	0	0	0	0	112.4	I572 H575 A576 R580 W581 Y582 M588 L615	I572-A584 HydrophobicContact CG2-CB 4.17Å; H575-A584 HydrophobicContact CB-CB 3.73Å; A576-A584 HydrophobicContact CB-CB 4.23Å; R580-A584 PolarHBondContact O-N 3.15Å; R580-A584 VanDerWaalsContact O-N 3.15Å; W581-A584 PolarHBondContact O-N 2.62Å; Y582-A584 PolarHBondContact O-N 3.34Å; A584-M588 WeakPolarHBondContact O-CB 3.36Å; A584-M588 PolarHBondContact O-N 2.61Å; A584-L615 HydrophobicContact CB-CD2 3.53Å
585	R	91.1	Very high	89.5	Confident	86 Å²	86	57.7 Å²	57.7	33%	0.325	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-49.6	176.3	-178.6	-161.5	70.5	-175	-0.5	111.2	W581 Y582 L587 M588 L589	W581-R585 WeakPolarHBondContact O-CB 3.34Å; W581-R585 PolarHBondContact O-N 2.86Å; Y582-R585 PolarHBondContact O-N 3.19Å; R585-L587 PolarHBondContact O-N 3.17Å; R585-M588 PolarHBondContact O-N 3Å; R585-L589 HydrophobicContact CG-CD1 4.01Å; R585-L589 WeakPolarHBondContact O-CG 2.88Å; R585-L589 PolarHBondContact O-N 3.39Å
586	D	92.6	Very high	89.3	Confident	71 Å²	71	61.9 Å²	61.9	38%	0.38	30%	0.296	S	S	.	.	H	α-helix	trans	-69.9	-35.7	-173.5	-64.2	-12.9	0	0	0	111.1	Y582 M590	Y582-D586 WeakPolarHBondContact O-CB 3.33Å; Y582-D586 PolarHBondContact O-N 2.84Å; D586-M590 WeakPolarHBondContact O-CB 3.01Å; D586-M590 PolarHBondContact O-N 3.09Å
587	L	90.5	Very high	89	Confident	30 Å²	30	62.5 Å²	62.5	16%	0.157	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-43.3	169.3	-74.8	171	0	0	0	112.6	I572 Q583 R585 S591	I572-L587 HydrophobicContact CD1-CB 4.18Å; I572-L587 HydrophobicContact CG1-CB 3.65Å; I572-L587 HydrophobicContact CG1-CD1 4.43Å; Q583-L587 WeakPolarHBondContact O-CB 3.34Å; Q583-L587 VanDerWaalsContact O-CG 3.3Å; Q583-L587 WeakPolarHBondContact O-CG 3.45Å; Q583-L587 PolarHBondContact O-N 3.47Å; R585-L587 PolarHBondContact O-N 3.17Å; L587-S591 WeakPolarHBondContact O-CB 3.17Å; L587-S591 PolarHBondContact O-N 3.36Å; L587-S591 VanDerWaalsContact O-N 3.09Å
588	M	90.7	Very high	88.9	Confident	8 Å²	8	68.7 Å²	68.7	4%	0.039	33%	0.327	C	S	.	.	H	α-helix	trans	-62.1	-47.2	177.7	178.7	58.4	82.7	0	0	111.2	L569 I572 A584 R585 S591 Y608 T611 M612 L615	L569-M588 HydrophobicContact CD2-CE 4.38Å; I572-M588 HydrophobicContact CD1-CB 4Å; I572-M588 HydrophobicContact CD1-CE 4.18Å; I572-M588 HydrophobicContact CD1-SD 4.38Å; I572-M588 HydrophobicContact CG2-CE 4.37Å; A584-M588 WeakPolarHBondContact O-CB 3.36Å; A584-M588 PolarHBondContact O-N 2.61Å; R585-M588 PolarHBondContact O-N 3Å; M588-S591 PolarHBondContact O-N 2.91Å; M588-S591 PolarHBondContact O-OG 3.23Å; M588-Y608 HydrophobicContact CE-CD2 4.2Å; M588-Y608 HydrophobicContact CE-CE2 3.99Å; M588-Y608 HydrophobicContact SD-CE2 4.05Å; M588-T611 HydrophobicContact CE-CG2 4.09Å; M588-M612 HydrophobicContact CE-CE 4.08Å; M588-M612 HydrophobicContact SD-CE 4.42Å; M588-L615 HydrophobicContact CB-CD1 4.08Å; M588-L615 HydrophobicContact CE-CD1 3.59Å; M588-L615 HydrophobicContact CG-CD1 3.95Å
589	L	92	Very high	88.9	Confident	92 Å²	92	75.2 Å²	75.2	48%	0.482	36%	0.358	S	S	.	.	H	α-helix	trans	-65.2	-45	178.1	-68.4	173.4	0	0	0	112	R585 S591 H592	R585-L589 HydrophobicContact CG-CD1 4.01Å; R585-L589 WeakPolarHBondContact O-CG 2.88Å; R585-L589 PolarHBondContact O-N 3.39Å; L589-S591 PolarHBondContact O-N 2.88Å; L589-H592 PolarHBondContact O-N 3.36Å
590	M	89.6	Confident	89	Confident	142 Å²	142	76.2 Å²	76.2	70%	0.7	37%	0.366	S	S	*	.	H	α-helix	trans	-59.1	-29.6	176.9	-175.8	-173.7	-58.2	0	0	112.9	D586	D586-M590 WeakPolarHBondContact O-CB 3.01Å; D586-M590 PolarHBondContact O-N 3.09Å
591	S	86.9	Confident	88.9	Confident	28 Å²	28	75.4 Å²	75.4	20%	0.196	37%	0.367	C	S	.	.	H	α-helix	trans	-73.2	-23.2	-178.6	79.2	0	0	0	0	114.5	L587 M588 L589 L593	L587-S591 WeakPolarHBondContact O-CB 3.17Å; L587-S591 PolarHBondContact O-N 3.36Å; L587-S591 VanDerWaalsContact O-N 3.09Å; M588-S591 PolarHBondContact O-N 2.91Å; M588-S591 PolarHBondContact O-OG 3.23Å; L589-S591 PolarHBondContact O-N 2.88Å; S591-L593 PolarHBondContact O-N 3.49Å; S591-L593 WeakPolarHBondContact OG-CG 3.19Å; S591-L593 PolarHBondContact OG-N 2.92Å
592	H	90.4	Very high	88.9	Confident	118 Å²	118	76.6 Å²	76.6	55%	0.546	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	28.1	-169.8	-67.4	-83.5	0	0	0	114.5	L589 Q594 N596	L589-H592 PolarHBondContact O-N 3.36Å; H592-Q594 PolarHBondContact O-N 3.12Å; H592-N596 PolarHBondContact O-ND2 3.45Å
593	L	86.3	Confident	88.7	Confident	17 Å²	17	72.5 Å²	72.5	9%	0.089	37%	0.369	C	S	.	.	H	α-helix	trans	-67.2	-20.9	-179.1	-75.3	171.3	0	0	0	113.1	T565 I568 L569 S591 D595 N596 I597	T565-L593 HydrophobicContact CG2-CD1 4.33Å; T565-L593 HydrophobicContact CG2-CD2 3.89Å; I568-L593 HydrophobicContact CG2-CD1 3.9Å; L569-L593 HydrophobicContact CD2-CD1 3.82Å; L569-L593 HydrophobicContact CG-CD1 4.14Å; S591-L593 PolarHBondContact O-N 3.49Å; S591-L593 WeakPolarHBondContact OG-CG 3.19Å; S591-L593 PolarHBondContact OG-N 2.92Å; L593-D595 PolarHBondContact O-N 2.91Å; L593-N596 PolarHBondContact O-N 2.88Å; L593-I597 WeakPolarHBondContact O-CB 3.47Å; L593-I597 VanDerWaalsContact O-CG2 3.31Å; L593-I597 WeakPolarHBondContact O-CG2 3.31Å; L593-I597 PolarHBondContact O-N 2.95Å
594	Q	85.9	Confident	88.8	Confident	95 Å²	95	68.1 Å²	68.1	44%	0.444	35%	0.349	S	S	.	.	H	α-helix	trans	-55.1	-38.1	-179.9	-60.1	-176.5	-60.2	0	0	112.8	H592	H592-Q594 PolarHBondContact O-N 3.12Å
595	D	86.2	Confident	88.7	Confident	114 Å²	114	70.8 Å²	70.8	61%	0.61	36%	0.361	S	S	*	.	H	α-helix	trans	-81.5	-40.4	178.4	-58	-54.7	0	0	0	112.1	L593	L593-D595 PolarHBondContact O-N 2.91Å
596	N	86	Confident	88.8	Confident	103 Å²	103	67.7 Å²	67.7	55%	0.551	35%	0.351	S	S	*	.	H	α-helix	trans	-87.2	-24.2	-168.7	-65.6	-58.9	0	0	0	114.6	H592 L593 Q598 H599	H592-N596 PolarHBondContact O-ND2 3.45Å; L593-N596 PolarHBondContact O-N 2.88Å; N596-Q598 PolarHBondContact O-N 2.83Å; N596-H599 PolarHBondContact O-N 3.29Å; N596-H599 VanDerWaalsContact O-N 3.11Å
597	I	86.3	Confident	88.8	Confident	13 Å²	13	64.9 Å²	64.9	7%	0.067	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-60.6	-23	-172.4	-166.5	68.7	0	0	0	113.6	L593 H599 A600 V604 Q605 Y608	L593-I597 WeakPolarHBondContact O-CB 3.47Å; L593-I597 VanDerWaalsContact O-CG2 3.31Å; L593-I597 WeakPolarHBondContact O-CG2 3.31Å; L593-I597 PolarHBondContact O-N 2.95Å; I597-H599 PolarHBondContact O-N 3.23Å; I597-A600 HydrophobicContact CD1-CB 3.93Å; I597-A600 WeakPolarHBondContact O-CB 3.17Å; I597-A600 PolarHBondContact O-N 3.38Å; I597-A600 VanDerWaalsContact O-N 3.1Å; I597-V604 HydrophobicContact CD1-CG1 4.04Å; I597-Q605 HydrophobicContact CG1-CG 4.23Å; I597-Q605 WeakPolarHBondContact O-CG 3.48Å; I597-Q605 PolarHBondContact O-NE2 3.39Å; I597-Y608 HydrophobicContact CD1-CD2 4.39Å; I597-Y608 HydrophobicContact CD1-CG 4.06Å; I597-Y608 HydrophobicContact CG1-CD1 3.88Å; I597-Y608 HydrophobicContact CG1-CD2 4.17Å; I597-Y608 HydrophobicContact CG1-CE1 4.49Å; I597-Y608 HydrophobicContact CG1-CG 3.7Å; I597-Y608 HydrophobicContact CG2-CD1 4.21Å; I597-Y608 HydrophobicContact CG2-CE1 3.99Å
598	Q	87.4	Confident	89	Confident	145 Å²	145	64.9 Å²	64.9	68%	0.678	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-61.8	-23.5	178	-56.7	-173.2	31.7	0	0	113.1	N596 Q605	N596-Q598 PolarHBondContact O-N 2.83Å; Q598-Q605 PolarHBondContact O-NE2 3.04Å
599	H	85.7	Confident	89.1	Confident	174 Å²	174	66 Å²	66	81%	0.806	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-102.2	-4.5	178	-58.3	-39.6	0	0	0	113.7	N596 I597	N596-H599 PolarHBondContact O-N 3.29Å; N596-H599 VanDerWaalsContact O-N 3.11Å; I597-H599 PolarHBondContact O-N 3.23Å
600	A	86.6	Confident	89.1	Confident	31 Å²	31	61.8 Å²	61.8	26%	0.256	32%	0.318	S	S	.	.	S	Bend	trans	-72.1	164.7	171.3	0	0	0	0	0	111.7	I597 V604 Q605	I597-A600 HydrophobicContact CD1-CB 3.93Å; I597-A600 WeakPolarHBondContact O-CB 3.17Å; I597-A600 PolarHBondContact O-N 3.38Å; I597-A600 VanDerWaalsContact O-N 3.1Å; A600-V604 HydrophobicContact CB-CB 4.42Å; A600-V604 HydrophobicContact CB-CG1 4.27Å; A600-Q605 PolarHBondContact O-NE2 2.94Å; A600-Q605 VanDerWaalsContact O-NE2 3.15Å
601	D	87.7	Confident	89.3	Confident	48 Å²	48	55 Å²	55	26%	0.257	29%	0.285	S	S	.	.			trans	-73.4	150.4	178.8	60.9	-66.3	0	0	0	112.8	R562 P603 V604 Q605	R562-D601 IonicContact CZ-OD1 3.37Å; R562-D601 IonicContact CZ-OD2 2.71Å; R562-D601 IonicContact NH1-OD1 2.68Å; R562-D601 PolarHBondContact NH1-OD1 3.29Å; R562-D601 IonicContact NH1-OD2 3.2Å; R562-D601 PolarHBondContact NH1-OD2 3.36Å; R562-D601 VanDerWaalsContact NH1-OD2 3.14Å; R562-D601 IonicContact NH2-OD1 2.88Å; R562-D601 IonicContact NH2-OD2 2.9Å; R562-D601 PolarHBondContact NH2-OD2 2.83Å; D601-P603 VanDerWaalsContact C-CD 3.48Å; D601-P603 WeakPolarHBondContact OD2-CD 3.29Å; D601-V604 PolarHBondContact O-N 3.16Å; D601-V604 WeakPolarHBondContact OD1-CG2 3.38Å; D601-Q605 PolarHBondContact O-N 3.37Å
602	P	89.8	Confident	89.6	Confident	46 Å²	46	54.9 Å²	54.9	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-54	-36.4	-175.7	-28.3	35.7	0	0	0	116.4	V604 Q605 I606	P602-V604 VanDerWaalsContact C-N 3.34Å; P602-V604 PolarHBondContact O-N 2.94Å; P602-Q605 PolarHBondContact O-N 3.29Å; P602-I606 VanDerWaalsContact O-CG1 3.32Å; P602-I606 WeakPolarHBondContact O-CG1 3.43Å; P602-I606 PolarHBondContact O-N 3.09Å
603	P	89.6	Confident	89.8	Confident	63 Å²	63	49.2 Å²	49.2	41%	0.409	26%	0.255	S	S	.	.	H	α-helix	trans	-58	-40.3	171.2	-27	35.5	0	0	0	114.3	D601 I606 L607	D601-P603 VanDerWaalsContact C-CD 3.48Å; D601-P603 WeakPolarHBondContact OD2-CD 3.29Å; P603-I606 PolarHBondContact O-N 3.5Å; P603-L607 PolarHBondContact O-N 3.49Å; P603-L607 VanDerWaalsContact O-N 3.08Å
604	V	91.1	Very high	90.1	Very high	6 Å²	6	49.1 Å²	49.1	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-73.8	-34.3	176.8	178.1	0	0	0	0	110.8	T565 L569 I597 A600 D601 P602 L607 Y608	T565-V604 HydrophobicContact CG2-CG1 3.81Å; L569-V604 HydrophobicContact CD1-CG1 3.96Å; I597-V604 HydrophobicContact CD1-CG1 4.04Å; A600-V604 HydrophobicContact CB-CB 4.42Å; A600-V604 HydrophobicContact CB-CG1 4.27Å; D601-V604 PolarHBondContact O-N 3.16Å; D601-V604 WeakPolarHBondContact OD1-CG2 3.38Å; P602-V604 VanDerWaalsContact C-N 3.34Å; P602-V604 PolarHBondContact O-N 2.94Å; V604-L607 PolarHBondContact O-N 3.21Å; V604-Y608 PolarHBondContact O-N 2.86Å
605	Q	91	Very high	90.5	Very high	56 Å²	56	45.2 Å²	45.2	26%	0.262	24%	0.236	S	C	.	.	H	α-helix	trans	-62.5	-40.9	170.6	-63.6	179.9	-21.6	0	0	112.2	I597 Q598 A600 D601 P602 Y608 N609	I597-Q605 HydrophobicContact CG1-CG 4.23Å; I597-Q605 WeakPolarHBondContact O-CG 3.48Å; I597-Q605 PolarHBondContact O-NE2 3.39Å; Q598-Q605 PolarHBondContact O-NE2 3.04Å; A600-Q605 PolarHBondContact O-NE2 2.94Å; A600-Q605 VanDerWaalsContact O-NE2 3.15Å; D601-Q605 PolarHBondContact O-N 3.37Å; P602-Q605 PolarHBondContact O-N 3.29Å; Q605-Y608 PolarHBondContact O-N 2.68Å; Q605-N609 WeakPolarHBondContact O-CB 3.38Å; Q605-N609 PolarHBondContact O-N 2.66Å; Q605-N609 PolarHBondContact O-ND2 3.11Å
606	I	92.2	Very high	90.8	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.108	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-42.2	174	-71	163.4	0	0	0	110.8	P602 P603 N609 R610 R668 V670	P602-I606 VanDerWaalsContact O-CG1 3.32Å; P602-I606 WeakPolarHBondContact O-CG1 3.43Å; P602-I606 PolarHBondContact O-N 3.09Å; P603-I606 PolarHBondContact O-N 3.5Å; I606-N609 PolarHBondContact O-N 2.89Å; I606-R610 WeakPolarHBondContact O-CB 3.26Å; I606-R610 WeakPolarHBondContact O-CG 3.33Å; I606-R610 PolarHBondContact O-N 2.96Å; I606-R668 HydrophobicContact CD1-CB 4.26Å; I606-V670 HydrophobicContact CG2-CG1 4.31Å
607	L	92.7	Very high	91.1	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.068	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-42.2	174.9	-178.4	62.4	0	0	0	111.9	Y511 C566 L569 P603 V604 R610 T611	Y511-L607 HydrophobicContact CE2-CD1 4.11Å; C566-L607 HydrophobicContact CB-CD2 4.49Å; L569-L607 HydrophobicContact CB-CD2 3.88Å; L569-L607 HydrophobicContact CB-CG 3.94Å; L569-L607 HydrophobicContact CD1-CB 4.43Å; L569-L607 HydrophobicContact CD1-CD2 4.14Å; L569-L607 HydrophobicContact CD1-CG 4.15Å; P603-L607 PolarHBondContact O-N 3.49Å; P603-L607 VanDerWaalsContact O-N 3.08Å; V604-L607 PolarHBondContact O-N 3.21Å; L607-R610 PolarHBondContact O-N 3.05Å; L607-T611 WeakPolarHBondContact O-CB 3.43Å; L607-T611 PolarHBondContact O-N 2.87Å; L607-T611 PolarHBondContact O-OG1 3.39Å
608	Y	94.1	Very high	91.4	Very high	29 Å²	29	34.6 Å²	34.6	11%	0.114	18%	0.179	C	C	.	.	H	α-helix	trans	-61.9	-47.1	174	170.3	-94.8	0	0	0	111.9	L569 M588 I597 V604 Q605 R610 T611 M612	L569-Y608 HydrophobicContact CD2-CD2 3.91Å; M588-Y608 HydrophobicContact CE-CD2 4.2Å; M588-Y608 HydrophobicContact CE-CE2 3.99Å; M588-Y608 HydrophobicContact SD-CE2 4.05Å; I597-Y608 HydrophobicContact CD1-CD2 4.39Å; I597-Y608 HydrophobicContact CD1-CG 4.06Å; I597-Y608 HydrophobicContact CG1-CD1 3.88Å; I597-Y608 HydrophobicContact CG1-CD2 4.17Å; I597-Y608 HydrophobicContact CG1-CE1 4.49Å; I597-Y608 HydrophobicContact CG1-CG 3.7Å; I597-Y608 HydrophobicContact CG2-CD1 4.21Å; I597-Y608 HydrophobicContact CG2-CE1 3.99Å; V604-Y608 PolarHBondContact O-N 2.86Å; Q605-Y608 PolarHBondContact O-N 2.68Å; Y608-R610 VanDerWaalsContact C-N 3.35Å; Y608-R610 PolarHBondContact O-N 3.42Å; Y608-T611 CarbonylContact O-C 3.55Å; Y608-T611 WeakPolarHBondContact O-CB 3.37Å; Y608-T611 PolarHBondContact O-N 3.05Å; Y608-T611 VanDerWaalsContact O-N 3.12Å; Y608-M612 HydrophobicContact CE1-CE 4.46Å; Y608-M612 HydrophobicContact CE2-CE 3.99Å; Y608-M612 PolarHBondContact O-N 3.34Å; Y608-M612 WeakPolarHBondContact OH-CE 3.49Å
609	N	93.2	Very high	91.6	Very high	32 Å²	32	27.8 Å²	27.8	17%	0.171	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-42.9	177.7	-67.4	-20.3	0	0	0	111.8	Q605 I606 T611 M612 V613 L644 L645	Q605-N609 WeakPolarHBondContact O-CB 3.38Å; Q605-N609 PolarHBondContact O-N 2.66Å; Q605-N609 PolarHBondContact O-ND2 3.11Å; I606-N609 PolarHBondContact O-N 2.89Å; N609-T611 VanDerWaalsContact C-N 3.35Å; N609-M612 PolarHBondContact O-N 3.08Å; N609-V613 PolarHBondContact O-N 2.99Å; N609-L644 WeakPolarHBondContact CB-O 3.33Å; N609-L644 PolarHBondContact ND2-O 3.31Å; N609-L645 HydrophobicContact CB-CD2 4.07Å
610	R	93.2	Very high	92	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.015	11%	0.109	C	C	.	.	H	α-helix	trans	-63.9	-39.1	174.3	-73.5	175.1	64.3	-124.5	-8.5	111.8	Y511 Y573 I606 L607 Y608 Q614 L645 M674 I676	Y511-R610 PolarHBondContact OH-NH1 3.28Å; Y573-R610 HydrophobicContact CE2-CB 4.32Å; I606-R610 WeakPolarHBondContact O-CB 3.26Å; I606-R610 WeakPolarHBondContact O-CG 3.33Å; I606-R610 PolarHBondContact O-N 2.96Å; L607-R610 PolarHBondContact O-N 3.05Å; Y608-R610 VanDerWaalsContact C-N 3.35Å; Y608-R610 PolarHBondContact O-N 3.42Å; R610-Q614 WeakPolarHBondContact O-CB 3.46Å; R610-Q614 PolarHBondContact O-N 3.09Å; R610-L645 HydrophobicContact CB-CD2 4.45Å; R610-L645 HydrophobicContact CG-CB 4.36Å; R610-L645 HydrophobicContact CG-CD2 3.83Å; R610-M674 PolarHBondContact NE-O 2.98Å; R610-M674 PolarHBondContact NH2-O 3.35Å; R610-I676 HydrophobicContact CB-CD1 4.48Å
611	T	93.8	Very high	92.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.4	-36.8	175.1	-56.6	0	0	0	0	112.2	L569 I572 M588 L607 Y608 N609 Q614 L615	L569-T611 HydrophobicContact CD2-CG2 4.49Å; L569-T611 PolarHBondContact O-OG1 2.86Å; I572-T611 HydrophobicContact CB-CG2 3.82Å; I572-T611 HydrophobicContact CG2-CG2 3.48Å; I572-T611 VanDerWaalsContact CG2-CG2 3.48Å; M588-T611 HydrophobicContact CE-CG2 4.09Å; L607-T611 WeakPolarHBondContact O-CB 3.43Å; L607-T611 PolarHBondContact O-N 2.87Å; L607-T611 PolarHBondContact O-OG1 3.39Å; Y608-T611 CarbonylContact O-C 3.55Å; Y608-T611 WeakPolarHBondContact O-CB 3.37Å; Y608-T611 PolarHBondContact O-N 3.05Å; Y608-T611 VanDerWaalsContact O-N 3.12Å; N609-T611 VanDerWaalsContact C-N 3.35Å; T611-Q614 PolarHBondContact O-N 3.19Å; T611-L615 WeakPolarHBondContact O-CB 3.47Å; T611-L615 WeakPolarHBondContact O-CG 3.35Å; T611-L615 PolarHBondContact O-N 3.45Å
612	M	92.6	Very high	92.2	Very high	24 Å²	24	19.8 Å²	19.8	12%	0.118	10%	0.103	C	C	.	.	H	α-helix	trans	-68.6	-42	175.8	-168.5	59.6	69.2	0	0	111.9	M588 Y608 N609 Q614 L615 G616 A631 I635	M588-M612 HydrophobicContact CE-CE 4.08Å; M588-M612 HydrophobicContact SD-CE 4.42Å; Y608-M612 HydrophobicContact CE1-CE 4.46Å; Y608-M612 HydrophobicContact CE2-CE 3.99Å; Y608-M612 PolarHBondContact O-N 3.34Å; Y608-M612 WeakPolarHBondContact OH-CE 3.49Å; N609-M612 PolarHBondContact O-N 3.08Å; M612-Q614 VanDerWaalsContact C-N 3.33Å; M612-Q614 PolarHBondContact O-N 3.02Å; M612-L615 WeakPolarHBondContact O-CB 3.37Å; M612-L615 PolarHBondContact O-N 2.98Å; M612-L615 HydrophobicContact SD-CD1 4.32Å; M612-G616 PolarHBondContact O-N 3.1Å; M612-A631 HydrophobicContact SD-CB 4.29Å; M612-I635 HydrophobicContact CB-CD1 4.27Å; M612-I635 HydrophobicContact CG-CD1 4.33Å
613	V	94.3	Very high	92.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.9	-46	169.9	166.2	0	0	0	0	111	N609 L615 G616 I617 L632 I635 L645 I676 L681	N609-V613 PolarHBondContact O-N 2.99Å; V613-L615 VanDerWaalsContact C-N 3.32Å; V613-L615 PolarHBondContact O-N 2.98Å; V613-G616 PolarHBondContact O-N 3.47Å; V613-G616 VanDerWaalsContact O-N 3.15Å; V613-I617 HydrophobicContact CG1-CD1 3.68Å; V613-I617 HydrophobicContact CG1-CG1 4.34Å; V613-I617 WeakPolarHBondContact O-CG1 3.43Å; V613-I617 PolarHBondContact O-N 3.17Å; V613-L632 HydrophobicContact CB-CD2 4.36Å; V613-L632 HydrophobicContact CG1-CD2 4.46Å; V613-L632 HydrophobicContact CG2-CD2 4.2Å; V613-I635 HydrophobicContact CG2-CD1 3.65Å; V613-I635 HydrophobicContact CG2-CG2 4.27Å; V613-L645 HydrophobicContact CB-CD2 4.37Å; V613-L645 HydrophobicContact CG2-CD1 4.2Å; V613-L645 HydrophobicContact CG2-CD2 3.74Å; V613-I676 HydrophobicContact CB-CD1 4.35Å; V613-I676 HydrophobicContact CG1-CD1 3.89Å; V613-I676 HydrophobicContact CG1-CG2 4.02Å; V613-L681 HydrophobicContact CG1-CD1 4.07Å; V613-L681 HydrophobicContact CG2-CD1 4.16Å; V613-L681 HydrophobicContact CG2-CD2 4.27Å
614	Q	93.6	Very high	92.2	Very high	14 Å²	14	18.8 Å²	18.8	7%	0.065	9%	0.094	C	C	.	.	H	α-helix	trans	-65.2	-34.8	-180	-161.7	65.3	5.9	0	0	112.6	Y573 A576 R610 T611 M612 C618	Y573-Q614 HydrophobicContact CD1-CG 4.19Å; Y573-Q614 HydrophobicContact CD2-CB 3.87Å; Y573-Q614 HydrophobicContact CD2-CG 4.12Å; Y573-Q614 HydrophobicContact CE1-CG 4.05Å; Y573-Q614 HydrophobicContact CE2-CB 3.78Å; Y573-Q614 HydrophobicContact CE2-CG 3.98Å; Y573-Q614 HydrophobicContact CG-CB 4.39Å; Y573-Q614 HydrophobicContact CG-CG 4.21Å; A576-Q614 HydrophobicContact CB-CB 4.38Å; A576-Q614 HydrophobicContact CB-CG 3.89Å; R610-Q614 WeakPolarHBondContact O-CB 3.46Å; R610-Q614 PolarHBondContact O-N 3.09Å; T611-Q614 PolarHBondContact O-N 3.19Å; M612-Q614 VanDerWaalsContact C-N 3.33Å; M612-Q614 PolarHBondContact O-N 3.02Å; Q614-C618 VanDerWaalsContact O-CB 3.3Å; Q614-C618 WeakPolarHBondContact O-CB 3.26Å; Q614-C618 PolarHBondContact O-N 3.15Å
615	L	93.3	Very high	92.3	Very high	14 Å²	14	19.1 Å²	19.1	7%	0.073	10%	0.096	C	C	.	.	H	α-helix	trans	-62.9	-45.1	170	-83.7	169.2	0	0	0	112.2	I572 A576 A584 M588 T611 M612 V613 C618 A619	I572-L615 HydrophobicContact CG2-CD1 3.84Å; I572-L615 HydrophobicContact CG2-CD2 3.99Å; I572-L615 HydrophobicContact CG2-CG 3.94Å; A576-L615 HydrophobicContact CB-CD2 4.4Å; A584-L615 HydrophobicContact CB-CD2 3.53Å; M588-L615 HydrophobicContact CB-CD1 4.08Å; M588-L615 HydrophobicContact CE-CD1 3.59Å; M588-L615 HydrophobicContact CG-CD1 3.95Å; T611-L615 WeakPolarHBondContact O-CB 3.47Å; T611-L615 WeakPolarHBondContact O-CG 3.35Å; T611-L615 PolarHBondContact O-N 3.45Å; M612-L615 WeakPolarHBondContact O-CB 3.37Å; M612-L615 PolarHBondContact O-N 2.98Å; M612-L615 HydrophobicContact SD-CD1 4.32Å; V613-L615 VanDerWaalsContact C-N 3.32Å; V613-L615 PolarHBondContact O-N 2.98Å; L615-C618 WeakPolarHBondContact O-CB 3.45Å; L615-C618 PolarHBondContact O-N 3.27Å; L615-A619 WeakPolarHBondContact O-CB 3.5Å; L615-A619 PolarHBondContact O-N 2.89Å
616	G	93.2	Very high	92.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.7	-43.5	175.8	0	0	0	0	0	112.5	M612 V613 C618 A619 F620 A628	M612-G616 PolarHBondContact O-N 3.1Å; V613-G616 PolarHBondContact O-N 3.47Å; V613-G616 VanDerWaalsContact O-N 3.15Å; G616-C618 PolarHBondContact O-N 3.23Å; G616-A619 PolarHBondContact O-N 3.21Å; G616-F620 PolarHBondContact O-N 3.06Å; G616-A628 WeakPolarHBondContact O-CB 3.38Å
617	I	92.3	Very high	92.2	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-64.1	-38.8	173.8	-66.3	170.3	0	0	0	111.1	V613 F620 R621 I676 F768	V613-I617 HydrophobicContact CG1-CD1 3.68Å; V613-I617 HydrophobicContact CG1-CG1 4.34Å; V613-I617 WeakPolarHBondContact O-CG1 3.43Å; V613-I617 PolarHBondContact O-N 3.17Å; I617-F620 PolarHBondContact O-N 2.93Å; I617-R621 WeakPolarHBondContact O-CG 3.28Å; I617-R621 PolarHBondContact O-N 3.22Å; I617-I676 HydrophobicContact CD1-CG2 3.82Å; I617-F768 HydrophobicContact CG2-CE1 3.72Å; I617-F768 HydrophobicContact CG2-CZ 4.31Å
618	C	92.1	Very high	92.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.4	-39.9	175.1	-175.2	0	0	0	0	112.6	A576 Q614 L615 G616 F620 R621 Q622	A576-C618 HydrophobicContact CB-CB 3.82Å; A576-C618 WeakPolarHBondContact O-CB 3.49Å; A576-C618 PolarHBondContact O-SG 3.25Å; Q614-C618 VanDerWaalsContact O-CB 3.3Å; Q614-C618 WeakPolarHBondContact O-CB 3.26Å; Q614-C618 PolarHBondContact O-N 3.15Å; L615-C618 WeakPolarHBondContact O-CB 3.45Å; L615-C618 PolarHBondContact O-N 3.27Å; G616-C618 PolarHBondContact O-N 3.23Å; C618-F620 VanDerWaalsContact C-N 3.34Å; C618-R621 PolarHBondContact O-N 3.27Å; C618-Q622 PolarHBondContact O-N 2.98Å
619	A	92.8	Very high	92.2	Very high	2 Å²	2	23.2 Å²	23.2	2%	0.017	12%	0.115	C	C	.	.	H	α-helix	trans	-62.6	-42.6	174.1	0	0	0	0	0	110.9	L615 G616 Q622 G623 M624 D627 A628	L615-A619 WeakPolarHBondContact O-CB 3.5Å; L615-A619 PolarHBondContact O-N 2.89Å; G616-A619 PolarHBondContact O-N 3.21Å; A619-Q622 CarbonylContact O-C 3.57Å; A619-Q622 PolarHBondContact O-N 3.48Å; A619-G623 PolarHBondContact O-N 2.95Å; A619-M624 HydrophobicContact CB-CB 4.28Å; A619-M624 WeakPolarHBondContact O-CB 3.4Å; A619-M624 PolarHBondContact O-N 3.02Å; A619-D627 HydrophobicContact CB-CB 4.46Å; A619-A628 HydrophobicContact CB-CB 3.92Å
620	F	92.4	Very high	92.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-47.5	175.1	-177.5	-97.7	0	0	0	112.1	G616 I617 C618 Q622 G623 I625 A628 V684 V687 S688 W765 V774 M777 L778	G616-F620 PolarHBondContact O-N 3.06Å; I617-F620 PolarHBondContact O-N 2.93Å; C618-F620 VanDerWaalsContact C-N 3.34Å; F620-Q622 PolarHBondContact O-N 3.11Å; F620-Q622 VanDerWaalsContact O-N 3.16Å; F620-G623 PolarHBondContact O-N 3.32Å; F620-I625 HydrophobicContact CD2-CD1 3.82Å; F620-I625 HydrophobicContact CE2-CD1 3.99Å; F620-A628 HydrophobicContact CB-CB 3.91Å; F620-V684 HydrophobicContact CB-CG1 3.82Å; F620-V684 HydrophobicContact CD1-CG1 4.08Å; F620-V684 HydrophobicContact CD1-CG2 4.11Å; F620-V684 HydrophobicContact CD2-CG1 3.87Å; F620-V684 HydrophobicContact CE1-CG2 4.2Å; F620-V684 HydrophobicContact CE2-CG1 4.45Å; F620-V684 HydrophobicContact CG-CG1 3.65Å; F620-V687 HydrophobicContact CE2-CG1 4.17Å; F620-V687 HydrophobicContact CZ-CG1 4.25Å; F620-S688 WeakPolarHBondContact CD2-OG 3.37Å; F620-W765 HydrophobicContact CE1-CH2 4.31Å; F620-W765 AromaticContact CE1-CZ3 3.96Å; F620-W765 HydrophobicContact CE1-CZ3 3.96Å; F620-W765 HydrophobicContact CZ-CH2 4.2Å; F620-W765 HydrophobicContact CZ-CZ3 4.31Å; F620-V774 HydrophobicContact CE1-CG1 4.08Å; F620-M777 HydrophobicContact CD1-CE 4.45Å; F620-M777 HydrophobicContact CE1-CE 4.21Å; F620-M777 HydrophobicContact CZ-CE 4.44Å; F620-M777 WeakPolarHBondContact O-CE 3.41Å; F620-L778 HydrophobicContact CZ-CD1 4.27Å
621	R	89.7	Confident	92	Very high	11 Å²	11	26.7 Å²	26.7	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-58.9	-26.1	176.7	-73.2	170.5	71.6	-174.5	8.1	113.7	L577 S579 I617 C618 F768 E770 V774	L577-R621 PolarHBondContact O-NH1 3.47Å; S579-R621 PolarHBondContact OG-NE 3.36Å; S579-R621 PolarHBondContact OG-NH2 2.95Å; I617-R621 WeakPolarHBondContact O-CG 3.28Å; I617-R621 PolarHBondContact O-N 3.22Å; C618-R621 PolarHBondContact O-N 3.27Å; R621-F768 HydrophobicContact CG-CD1 4.25Å; R621-F768 HydrophobicContact CG-CE1 3.85Å; R621-E770 IonicContact CZ-OE1 2.83Å; R621-E770 IonicContact NH2-OE1 3.6Å; R621-E770 PolarHBondContact NH2-OE1 3.05Å; R621-V774 HydrophobicContact CG-CG2 3.91Å
622	Q	89.4	Confident	91.9	Very high	74 Å²	74	26.7 Å²	26.7	35%	0.346	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	7.9	175.3	-66.5	-68.5	3.2	0	0	113.5	S579 W581 C618 A619 F620 M624	S579-Q622 PolarHBondContact O-NE2 3.15Å; W581-Q622 HydrophobicContact CB-CG 4.08Å; C618-Q622 PolarHBondContact O-N 2.98Å; A619-Q622 CarbonylContact O-C 3.57Å; A619-Q622 PolarHBondContact O-N 3.48Å; F620-Q622 PolarHBondContact O-N 3.11Å; F620-Q622 VanDerWaalsContact O-N 3.16Å; Q622-M624 VanDerWaalsContact C-N 3.25Å; Q622-M624 PolarHBondContact O-N 2.72Å
623	G	88.2	Confident	91.8	Very high	15 Å²	15	27.8 Å²	27.8	16%	0.155	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	11.1	179.8	0	0	0	0	0	115.1	A619 F620 I625 M777	A619-G623 PolarHBondContact O-N 2.95Å; F620-G623 PolarHBondContact O-N 3.32Å; G623-I625 PolarHBondContact O-N 3.32Å; G623-M777 VanDerWaalsContact CA-SD 3.6Å
624	M	91.1	Very high	91.6	Very high	73 Å²	73	33.7 Å²	33.7	36%	0.36	18%	0.175	S	C	.	.			trans	-82.8	60.3	176.6	-67.4	-63.9	-65.1	0	0	110.6	W581 A619 Q622 K626 D627 A628	W581-M624 HydrophobicContact CH2-CE 3.99Å; W581-M624 HydrophobicContact CH2-CG 4.45Å; A619-M624 HydrophobicContact CB-CB 4.28Å; A619-M624 WeakPolarHBondContact O-CB 3.4Å; A619-M624 PolarHBondContact O-N 3.02Å; Q622-M624 VanDerWaalsContact C-N 3.25Å; Q622-M624 PolarHBondContact O-N 2.72Å; M624-K626 VanDerWaalsContact C-N 3.29Å; M624-K626 PolarHBondContact O-N 3.45Å; M624-D627 HydrophobicContact CB-CB 4.43Å; M624-D627 WeakPolarHBondContact CE-OD2 3.27Å; M624-D627 PolarHBondContact O-N 3.13Å; M624-D627 VanDerWaalsContact O-N 3.09Å; M624-A628 PolarHBondContact O-N 2.89Å
625	I	92.3	Very high	91.4	Very high	14 Å²	14	33.6 Å²	33.6	7%	0.072	18%	0.175	C	C	.	.	H	α-helix	trans	-56	-38.5	-168.9	-51.7	-54.5	0	0	0	113.1	F620 G623 A628 H629 L691 L692	F620-I625 HydrophobicContact CD2-CD1 3.82Å; F620-I625 HydrophobicContact CE2-CD1 3.99Å; G623-I625 PolarHBondContact O-N 3.32Å; I625-A628 PolarHBondContact O-N 3.28Å; I625-H629 WeakPolarHBondContact O-CB 3.41Å; I625-H629 PolarHBondContact O-N 3.12Å; I625-L691 HydrophobicContact CD1-CD1 4.31Å; I625-L691 HydrophobicContact CG1-CD1 4.22Å; I625-L691 HydrophobicContact CG2-CB 4.22Å; I625-L691 HydrophobicContact CG2-CD1 4.26Å; I625-L692 HydrophobicContact CG2-CD1 4.42Å; I625-L692 HydrophobicContact CG2-CG 4.23Å
626	K	91.4	Very high	91.1	Very high	141 Å²	141	34 Å²	34	61%	0.613	18%	0.176	S	C	*	.	H	α-helix	trans	-63.3	-45	177.8	-172.2	175.6	-179.3	176.6	0	112.4	M624 H629 N630 L692	M624-K626 VanDerWaalsContact C-N 3.29Å; M624-K626 PolarHBondContact O-N 3.45Å; K626-H629 PolarHBondContact O-N 3.06Å; K626-N630 PolarHBondContact O-N 3.5Å; K626-N630 PolarHBondContact O-ND2 2.97Å; K626-L692 HydrophobicContact CB-CD2 4.26Å
627	D	91.6	Very high	90.7	Very high	61 Å²	61	37 Å²	37	33%	0.326	20%	0.197	S	C	.	.	H	α-helix	trans	-73.8	-34.4	-178.9	-62.5	-15.8	0	0	0	111	W581 A619 M624 N630 A631	W581-D627 HydrophobicContact CZ2-CB 4.42Å; A619-D627 HydrophobicContact CB-CB 4.46Å; M624-D627 HydrophobicContact CB-CB 4.43Å; M624-D627 WeakPolarHBondContact CE-OD2 3.27Å; M624-D627 PolarHBondContact O-N 3.13Å; M624-D627 VanDerWaalsContact O-N 3.09Å; D627-N630 PolarHBondContact O-N 3.29Å; D627-A631 WeakPolarHBondContact O-CB 3.44Å; D627-A631 PolarHBondContact O-N 3.5Å
628	A	92.9	Very high	90.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-47.1	170.2	0	0	0	0	0	112	G616 A619 F620 M624 I625 A631 L632	G616-A628 WeakPolarHBondContact O-CB 3.38Å; A619-A628 HydrophobicContact CB-CB 3.92Å; F620-A628 HydrophobicContact CB-CB 3.91Å; M624-A628 PolarHBondContact O-N 2.89Å; I625-A628 PolarHBondContact O-N 3.28Å; A628-A631 PolarHBondContact O-N 3.39Å; A628-L632 VanDerWaalsContact O-CG 3.28Å; A628-L632 WeakPolarHBondContact O-CG 3.39Å; A628-L632 PolarHBondContact O-N 3.49Å
629	H	92.8	Very high	89.7	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-48	176.5	-173.1	82.2	0	0	0	111.5	I625 K626 A631 L632 L633 Y685 L692	I625-H629 WeakPolarHBondContact O-CB 3.41Å; I625-H629 PolarHBondContact O-N 3.12Å; K626-H629 PolarHBondContact O-N 3.06Å; H629-A631 PolarHBondContact O-N 3.2Å; H629-L632 PolarHBondContact O-N 2.98Å; H629-L633 WeakPolarHBondContact O-CB 3.41Å; H629-L633 PolarHBondContact O-N 2.85Å; H629-Y685 AromaticContact CE1-CE2 3.32Å; H629-Y685 WeakPolarHBondContact CE1-CE2 3.45Å; H629-Y685 AromaticContact CE1-CZ 3.59Å; H629-Y685 AromaticContact ND1-CE2 3.62Å; H629-Y685 AromaticContact NE2-CE2 3.97Å; H629-L692 HydrophobicContact CB-CD1 3.6Å
630	N	91.9	Very high	89.4	Confident	85 Å²	85	47.9 Å²	47.9	46%	0.455	26%	0.262	S	S	.	.	H	α-helix	trans	-58.8	-45.1	179.8	-67.3	-21.8	0	0	0	112.4	K626 D627 L632	K626-N630 PolarHBondContact O-N 3.5Å; K626-N630 PolarHBondContact O-ND2 2.97Å; D627-N630 PolarHBondContact O-N 3.29Å; N630-L632 VanDerWaalsContact C-N 3.29Å; N630-L632 PolarHBondContact O-N 3.47Å
631	A	90.3	Very high	89.1	Confident	25 Å²	25	48.3 Å²	48.3	21%	0.207	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-25.4	-179.1	0	0	0	0	0	114	M612 D627 A628 H629	M612-A631 HydrophobicContact SD-CB 4.29Å; D627-A631 WeakPolarHBondContact O-CB 3.44Å; D627-A631 PolarHBondContact O-N 3.5Å; A628-A631 PolarHBondContact O-N 3.39Å; H629-A631 PolarHBondContact O-N 3.2Å
632	L	91.7	Very high	89	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-100.1	-15.5	-177	-59.8	-179.3	0	0	0	113.5	V613 A628 H629 N630 D634 I635 Q636 L681 V684 Y685	V613-L632 HydrophobicContact CB-CD2 4.36Å; V613-L632 HydrophobicContact CG1-CD2 4.46Å; V613-L632 HydrophobicContact CG2-CD2 4.2Å; A628-L632 VanDerWaalsContact O-CG 3.28Å; A628-L632 WeakPolarHBondContact O-CG 3.39Å; A628-L632 PolarHBondContact O-N 3.49Å; H629-L632 PolarHBondContact O-N 2.98Å; N630-L632 VanDerWaalsContact C-N 3.29Å; N630-L632 PolarHBondContact O-N 3.47Å; L632-D634 PolarHBondContact O-N 3.11Å; L632-I635 PolarHBondContact O-N 2.93Å; L632-Q636 PolarHBondContact O-N 3.4Å; L632-L681 HydrophobicContact CD1-CD1 4.13Å; L632-L681 HydrophobicContact CD2-CD1 3.69Å; L632-L681 HydrophobicContact CG-CD1 4.32Å; L632-V684 HydrophobicContact CD1-CG1 3.8Å; L632-Y685 HydrophobicContact CB-CD2 3.97Å
633	L	91.2	Very high	88.8	Confident	47 Å²	47	49.6 Å²	49.6	25%	0.246	27%	0.271	C	S	.	.	H	α-helix	trans	-55.1	-54.6	-173.4	178.2	60.1	0	0	0	113.3	H629 I635 S637 Y685	H629-L633 WeakPolarHBondContact O-CB 3.41Å; H629-L633 PolarHBondContact O-N 2.85Å; L633-I635 VanDerWaalsContact C-N 3.35Å; L633-I635 PolarHBondContact O-N 2.81Å; L633-S637 WeakPolarHBondContact O-CB 3.19Å; L633-S637 PolarHBondContact O-N 2.93Å; L633-S637 PolarHBondContact O-OG 3.17Å; L633-Y685 HydrophobicContact CB-CE2 4.38Å; L633-Y685 HydrophobicContact CD1-CE2 4.11Å; L633-Y685 WeakPolarHBondContact CD1-OH 3.36Å
634	D	88.6	Confident	88.8	Confident	123 Å²	123	51.3 Å²	51.3	66%	0.658	28%	0.276	S	S	*	.	H	α-helix	trans	-68.8	-35.7	-174.8	-64.1	-29.8	0	0	0	112	L632 S638	L632-D634 PolarHBondContact O-N 3.11Å; D634-S638 WeakPolarHBondContact O-CB 3.44Å; D634-S638 PolarHBondContact O-N 3.09Å
635	I	89.4	Confident	88.7	Confident	13 Å²	13	47.9 Å²	47.9	7%	0.067	26%	0.259	C	S	.	.	H	α-helix	trans	-68.4	-49.4	-179.5	-58.8	-179.5	0	0	0	110.1	M612 V613 L632 L633 S638 A641	M612-I635 HydrophobicContact CB-CD1 4.27Å; M612-I635 HydrophobicContact CG-CD1 4.33Å; V613-I635 HydrophobicContact CG2-CD1 3.65Å; V613-I635 HydrophobicContact CG2-CG2 4.27Å; L632-I635 PolarHBondContact O-N 2.93Å; L633-I635 VanDerWaalsContact C-N 3.35Å; L633-I635 PolarHBondContact O-N 2.81Å; I635-S638 PolarHBondContact O-OG 3.43Å; I635-A641 HydrophobicContact CG2-CB 4.11Å
636	Q	87.4	Confident	88.4	Confident	21 Å²	21	47.4 Å²	47.4	10%	0.098	26%	0.258	C	S	.	.	H	α-helix	trans	-76.5	-39.2	-177.2	-167.4	62.6	10	0	0	112.7	L632 S638 G639 E682 Y685	L632-Q636 PolarHBondContact O-N 3.4Å; Q636-S638 PolarHBondContact O-N 3.24Å; Q636-G639 PolarHBondContact O-N 3.48Å; Q636-E682 PolarHBondContact NE2-OE1 3.42Å; Q636-Y685 HydrophobicContact CB-CD1 4.17Å; Q636-Y685 HydrophobicContact CB-CD2 4.4Å; Q636-Y685 HydrophobicContact CB-CE1 4.5Å; Q636-Y685 HydrophobicContact CB-CG 4.12Å; Q636-Y685 HydrophobicContact CG-CD1 3.78Å; Q636-Y685 HydrophobicContact CG-CE1 4.27Å; Q636-Y685 HydrophobicContact CG-CG 4.1Å
637	S	84.4	Confident	88.2	Confident	63 Å²	63	41.3 Å²	41.3	44%	0.441	23%	0.232	S	C	.	.	H	α-helix	trans	-68.5	-18.9	178.5	67.1	0	0	0	0	113.7	L633 G639	L633-S637 WeakPolarHBondContact O-CB 3.19Å; L633-S637 PolarHBondContact O-N 2.93Å; L633-S637 PolarHBondContact O-OG 3.17Å; S637-G639 PolarHBondContact O-N 3.08Å
638	S	83.3	Confident	87.7	Confident	41 Å²	41	38.8 Å²	38.8	29%	0.287	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.4	175.5	76.3	0	0	0	0	114.8	D634 I635 Q636 R640 L644	D634-S638 WeakPolarHBondContact O-CB 3.44Å; D634-S638 PolarHBondContact O-N 3.09Å; I635-S638 PolarHBondContact O-OG 3.43Å; Q636-S638 PolarHBondContact O-N 3.24Å; S638-R640 PolarHBondContact O-N 3.38Å; S638-R640 VanDerWaalsContact O-N 3.09Å; S638-R640 PolarHBondContact OG-N 2.98Å; S638-L644 WeakPolarHBondContact OG-CD1 3.49Å
639	G	81.4	Confident	86.7	Confident	58 Å²	58	40.7 Å²	40.7	60%	0.598	23%	0.23	S	C	*	.	S	Bend	trans	65.3	1.8	-170.1	0	0	0	0	0	115.1	Q636 S637 L650	Q636-G639 PolarHBondContact O-N 3.48Å; S637-G639 PolarHBondContact O-N 3.08Å; G639-L650 WeakPolarHBondContact O-CD1 3.5Å
640	R	85.5	Confident	85.2	Confident	138 Å²	138	43.4 Å²	43.4	52%	0.521	24%	0.244	S	C	.	.			trans	-117.8	18.8	-174.7	-64.3	-175.1	-62.8	164.9	3.8	113.8	S638 K642 E643 L644	S638-R640 PolarHBondContact O-N 3.38Å; S638-R640 VanDerWaalsContact O-N 3.09Å; S638-R640 PolarHBondContact OG-N 2.98Å; R640-K642 VanDerWaalsContact C-N 3.26Å; R640-K642 PolarHBondContact O-N 3.06Å; R640-K642 VanDerWaalsContact O-N 3.12Å; R640-E643 PolarHBondContact O-N 3.35Å; R640-L644 HydrophobicContact CB-CG 4.44Å; R640-L644 PolarHBondContact O-N 3.48Å
641	A	86.1	Confident	83.1	Confident	9 Å²	9	46.5 Å²	46.5	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-49.2	-41.9	-175.2	0	0	0	0	0	113.9	I635 E643 L644 L645 L681	I635-A641 HydrophobicContact CG2-CB 4.11Å; A641-E643 VanDerWaalsContact C-N 3.27Å; A641-E643 PolarHBondContact O-N 2.97Å; A641-L644 PolarHBondContact O-N 2.81Å; A641-L645 WeakPolarHBondContact O-CB 3.31Å; A641-L645 VanDerWaalsContact O-CG 3.27Å; A641-L645 WeakPolarHBondContact O-CG 3.42Å; A641-L645 PolarHBondContact O-N 2.91Å; A641-L681 HydrophobicContact CB-CD2 4.41Å
642	K	87.5	Confident	81.4	Confident	78 Å²	78	56.7 Å²	56.7	34%	0.339	29%	0.291	S	S	.	.	H	α-helix	trans	-57.9	-37.3	177.1	-169.3	163.7	-167.4	174.3	0	113.4	R640 G646 Q647 L650 L678	R640-K642 VanDerWaalsContact C-N 3.26Å; R640-K642 PolarHBondContact O-N 3.06Å; R640-K642 VanDerWaalsContact O-N 3.12Å; K642-G646 PolarHBondContact O-N 3.17Å; K642-Q647 WeakPolarHBondContact CE-O 3.43Å; K642-Q647 HydrophobicContact CG-CB 4.08Å; K642-Q647 PolarHBondContact O-N 3.41Å; K642-L650 HydrophobicContact CB-CD1 4.36Å; K642-L650 HydrophobicContact CB-CD2 4.44Å; K642-L650 HydrophobicContact CB-CG 4.21Å; K642-L678 HydrophobicContact CB-CD1 3.64Å; K642-L678 HydrophobicContact CD-CD1 3.9Å; K642-L678 HydrophobicContact CG-CD1 3.77Å
643	E	86.7	Confident	79.4	Confident	35 Å²	35	59.9 Å²	59.9	16%	0.164	31%	0.308	C	S	.	.	H	α-helix	trans	-82.7	-42.6	-177.2	-51	-168.9	135.6	0	0	110.8	R640 A641 L645 G646 L650 R657	R640-E643 PolarHBondContact O-N 3.35Å; A641-E643 VanDerWaalsContact C-N 3.27Å; A641-E643 PolarHBondContact O-N 2.97Å; E643-L645 PolarHBondContact O-N 2.73Å; E643-G646 PolarHBondContact O-N 3.44Å; E643-L650 HydrophobicContact CG-CD1 4.09Å; E643-L650 HydrophobicContact CG-CG 4.31Å; E643-L650 PolarHBondContact OE1-N 3.31Å; E643-R657 VanDerWaalsContact CD-NH2 3.27Å; E643-R657 IonicContact OE1-CZ 2.86Å; E643-R657 VanDerWaalsContact OE1-CZ 3.25Å; E643-R657 IonicContact OE1-NH1 2.67Å; E643-R657 PolarHBondContact OE1-NH1 2.82Å; E643-R657 IonicContact OE1-NH2 3.53Å; E643-R657 PolarHBondContact OE1-NH2 3.01Å; E643-R657 IonicContact OE2-CZ 2.66Å; E643-R657 IonicContact OE2-NH1 3.67Å; E643-R657 IonicContact OE2-NH2 3.72Å; E643-R657 PolarHBondContact OE2-NH2 3.11Å
644	L	88.4	Confident	77.2	Confident	51 Å²	51	62.2 Å²	62.2	27%	0.267	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-29.5	176.5	-66.2	174.9	0	0	0	112.9	N609 S638 R640 A641	N609-L644 WeakPolarHBondContact CB-O 3.33Å; N609-L644 PolarHBondContact ND2-O 3.31Å; S638-L644 WeakPolarHBondContact OG-CD1 3.49Å; R640-L644 HydrophobicContact CB-CG 4.44Å; R640-L644 PolarHBondContact O-N 3.48Å; A641-L644 PolarHBondContact O-N 2.81Å
645	L	88.8	Confident	75.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	0.5	176.5	-62	170.6	0	0	0	113.7	N609 R610 V613 A641 E643 Q647 L678 L681	N609-L645 HydrophobicContact CB-CD2 4.07Å; R610-L645 HydrophobicContact CB-CD2 4.45Å; R610-L645 HydrophobicContact CG-CB 4.36Å; R610-L645 HydrophobicContact CG-CD2 3.83Å; V613-L645 HydrophobicContact CB-CD2 4.37Å; V613-L645 HydrophobicContact CG2-CD1 4.2Å; V613-L645 HydrophobicContact CG2-CD2 3.74Å; A641-L645 WeakPolarHBondContact O-CB 3.31Å; A641-L645 VanDerWaalsContact O-CG 3.27Å; A641-L645 WeakPolarHBondContact O-CG 3.42Å; A641-L645 PolarHBondContact O-N 2.91Å; E643-L645 PolarHBondContact O-N 2.73Å; L645-Q647 VanDerWaalsContact C-N 3.31Å; L645-Q647 HydrophobicContact CB-CG 4.01Å; L645-Q647 PolarHBondContact O-N 3Å; L645-L678 HydrophobicContact CD1-CD2 3.9Å; L645-L681 HydrophobicContact CD1-CD2 3.81Å
646	G	85.6	Confident	73.7	Confident	5 Å²	5	72.8 Å²	72.8	5%	0.052	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	25.8	179.6	0	0	0	0	0	114.7	K642 E643 Q669 V670	K642-G646 PolarHBondContact O-N 3.17Å; E643-G646 PolarHBondContact O-N 3.44Å; G646-Q669 CarbonylContact O-C 3.59Å; G646-Q669 WeakPolarHBondContact O-CA 3.18Å; G646-Q669 WeakPolarHBondContact O-CB 3.49Å; G646-V670 PolarHBondContact O-N 3.04Å
647	Q	86.8	Confident	72.5	Confident	13 Å²	13	75 Å²	75	6%	0.061	37%	0.371	C	S	.	.	S	Bend	trans	-96.1	5.7	-175.1	-61.8	-177.6	9.5	0	0	114	K642 L645 H675 I676	K642-Q647 WeakPolarHBondContact CE-O 3.43Å; K642-Q647 HydrophobicContact CG-CB 4.08Å; K642-Q647 PolarHBondContact O-N 3.41Å; L645-Q647 VanDerWaalsContact C-N 3.31Å; L645-Q647 HydrophobicContact CB-CG 4.01Å; L645-Q647 PolarHBondContact O-N 3Å; Q647-H675 HydrophobicContact CG-CB 4.28Å; Q647-I676 PolarHBondContact NE2-O 2.68Å; Q647-I676 PolarHBondContact OE1-O 3.25Å
648	G	80.5	Confident	71.7	Confident	8 Å²	8	77.8 Å²	77.8	8%	0.082	38%	0.381	C	S	.	.			trans	142.3	-173.8	-177.7	0	0	0	0	0	112.2
649	L	73.1	Confident	71.1	Confident	39 Å²	39	79.2 Å²	79.2	20%	0.204	40%	0.396	C	S	.	.			trans	-109.8	154.2	172.9	-57.4	-179.7	0	0	0	110.1	E662 E665 K666	L649-E662 HydrophobicContact CD1-CG 3.37Å; L649-E665 HydrophobicContact CD2-CB 3.98Å; L649-E665 WeakPolarHBondContact CD2-OE2 3.43Å; L649-K666 HydrophobicContact CD1-CG 4.31Å
650	L	60.5	Low	70.7	Confident	59 Å²	59	84.3 Å²	84.3	31%	0.309	40%	0.404	S	S	.	.			trans	-95.7	108.9	174.7	-76.1	158.3	0	0	0	109.9	G639 K642 E643 R652 N653	G639-L650 WeakPolarHBondContact O-CD1 3.5Å; K642-L650 HydrophobicContact CB-CD1 4.36Å; K642-L650 HydrophobicContact CB-CD2 4.44Å; K642-L650 HydrophobicContact CB-CG 4.21Å; E643-L650 HydrophobicContact CG-CD1 4.09Å; E643-L650 HydrophobicContact CG-CG 4.31Å; E643-L650 PolarHBondContact OE1-N 3.31Å; L650-R652 PolarHBondContact O-N 3.31Å; L650-N653 PolarHBondContact O-N 2.88Å
651	M	48.9	Very low	70.1	Confident	151 Å²	151	82.4 Å²	82.4	74%	0.744	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-53.5	-27.2	-175	-66.2	-59.4	-158.9	0	0	114.2	N653 M654	M651-N653 PolarHBondContact O-N 3.49Å; M651-M654 WeakPolarHBondContact O-CG 3.39Å; M651-M654 PolarHBondContact O-N 3.38Å; M651-M654 VanDerWaalsContact O-N 3.09Å; M651-M654 HydrophobicContact SD-CG 4.22Å; M651-M654 HydrophobicContact SD-SD 4.15Å
652	R	54.2	Low	69.5	Low	238 Å²	238	83.7 Å²	83.7	90%	0.898	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-60.5	-13.9	-177.5	-151.9	178.6	76.2	167.4	4.9	114.4	L650	L650-R652 PolarHBondContact O-N 3.31Å
653	N	48.5	Very low	68.9	Low	67 Å²	67	85.7 Å²	85.7	36%	0.358	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-116.9	21.4	179.6	-71.8	64.6	0	0	0	113.1	L650 M651 Q655	L650-N653 PolarHBondContact O-N 2.88Å; M651-N653 PolarHBondContact O-N 3.49Å; N653-Q655 PolarHBondContact O-N 3.33Å
654	M	46	Very low	68.4	Low	96 Å²	96	87.7 Å²	87.7	47%	0.473	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-59.5	-30.1	178.7	-84.3	-128.1	66.6	0	0	114.2	M651 E656	M651-M654 WeakPolarHBondContact O-CG 3.39Å; M651-M654 PolarHBondContact O-N 3.38Å; M651-M654 VanDerWaalsContact O-N 3.09Å; M651-M654 HydrophobicContact SD-CG 4.22Å; M651-M654 HydrophobicContact SD-SD 4.15Å; M654-E656 PolarHBondContact O-N 3.43Å; M654-E656 VanDerWaalsContact O-N 3.15Å
655	Q	50.1	Low	67.6	Low	190 Å²	190	87.2 Å²	87.2	89%	0.888	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-67.2	-16.5	-170.6	-155.3	67.3	5.2	0	0	114.8	N653	N653-Q655 PolarHBondContact O-N 3.33Å
656	E	53.2	Low	67	Low	169 Å²	169	92.2 Å²	92.2	79%	0.79	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-112.9	-1.1	-172.4	-63.4	-173.6	134.1	0	0	114.7	M654	M654-E656 PolarHBondContact O-N 3.43Å; M654-E656 VanDerWaalsContact O-N 3.15Å
657	R	62.2	Low	66.6	Low	67 Å²	67	98.1 Å²	98.1	25%	0.253	46%	0.464	S	S	.	.			trans	-105.9	137	-170.3	-60.5	-167.6	-164.6	-179.9	10.8	113.9	E643 A659 E665	E643-R657 VanDerWaalsContact CD-NH2 3.27Å; E643-R657 IonicContact OE1-CZ 2.86Å; E643-R657 VanDerWaalsContact OE1-CZ 3.25Å; E643-R657 IonicContact OE1-NH1 2.67Å; E643-R657 PolarHBondContact OE1-NH1 2.82Å; E643-R657 IonicContact OE1-NH2 3.53Å; E643-R657 PolarHBondContact OE1-NH2 3.01Å; E643-R657 IonicContact OE2-CZ 2.66Å; E643-R657 IonicContact OE2-NH1 3.67Å; E643-R657 IonicContact OE2-NH2 3.72Å; E643-R657 PolarHBondContact OE2-NH2 3.11Å; R657-A659 PolarHBondContact O-N 3.01Å; R657-E665 IonicContact NH1-OE2 2.74Å; R657-E665 PolarHBondContact NH1-OE2 3.43Å
658	N	68.3	Low	66.4	Low	121 Å²	121	102.6 Å²	102.6	65%	0.647	48%	0.48	S	S	*	.			trans	-68.7	128.7	170.7	-75.7	-40.7	0	0	0	111.1	E660 Q661 E662	N658-E660 PolarHBondContact O-N 2.87Å; N658-E660 VanDerWaalsContact O-N 3.09Å; N658-Q661 HydrophobicContact CB-CB 4.39Å; N658-Q661 WeakPolarHBondContact O-CB 3.28Å; N658-Q661 PolarHBondContact O-N 2.88Å; N658-E662 PolarHBondContact O-N 2.71Å
659	A	70.6	Confident	66.7	Low	72 Å²	72	104.4 Å²	104.4	60%	0.595	49%	0.487	S	S	*	.	H	α-helix	trans	-58	-26	-179.8	0	0	0	0	0	114.2	R657 K663	R657-A659 PolarHBondContact O-N 3.01Å; A659-K663 WeakPolarHBondContact O-CB 3.39Å; A659-K663 PolarHBondContact O-N 3.5Å; A659-K663 VanDerWaalsContact O-N 3.11Å
660	E	72.7	Confident	67.4	Low	165 Å²	165	103.7 Å²	103.7	77%	0.771	48%	0.484	S	S	*	.	H	α-helix	trans	-71.5	-38.8	173.4	-61.5	-159.1	139.3	0	0	112.6	N658 K663 I664	N658-E660 PolarHBondContact O-N 2.87Å; N658-E660 VanDerWaalsContact O-N 3.09Å; E660-K663 PolarHBondContact O-N 2.88Å; E660-I664 WeakPolarHBondContact O-CG1 3.45Å; E660-I664 PolarHBondContact O-N 3.24Å; E660-I664 VanDerWaalsContact O-N 3.16Å
661	Q	73.3	Confident	68.9	Low	97 Å²	97	101.2 Å²	101.2	45%	0.453	47%	0.472	S	S	.	.	H	α-helix	trans	-67.9	-43.2	174.6	178.3	175	-19.2	0	0	110.5	N658 K663 I664 E665	N658-Q661 HydrophobicContact CB-CB 4.39Å; N658-Q661 WeakPolarHBondContact O-CB 3.28Å; N658-Q661 PolarHBondContact O-N 2.88Å; Q661-K663 PolarHBondContact O-N 2.94Å; Q661-I664 CarbonylContact O-C 3.57Å; Q661-I664 WeakPolarHBondContact O-CA 3.44Å; Q661-I664 WeakPolarHBondContact O-CB 3.3Å; Q661-I664 PolarHBondContact O-N 2.84Å; Q661-E665 HydrophobicContact CG-CG 4.36Å; Q661-E665 WeakPolarHBondContact CG-OE1 3.47Å; Q661-E665 PolarHBondContact NE2-OE1 3.37Å; Q661-E665 PolarHBondContact O-N 3.22Å
662	E	73	Confident	70.8	Confident	37 Å²	37	98 Å²	98	17%	0.173	45%	0.454	C	S	.	.	H	α-helix	trans	-55.3	-41.4	173.8	-162.9	-150.8	132.9	0	0	111.6	L649 N658 I664 E665 K666	L649-E662 HydrophobicContact CD1-CG 3.37Å; N658-E662 PolarHBondContact O-N 2.71Å; E662-I664 VanDerWaalsContact C-N 3.28Å; E662-I664 PolarHBondContact O-N 3.24Å; E662-E665 PolarHBondContact O-N 2.76Å; E662-K666 WeakPolarHBondContact O-CB 3.49Å; E662-K666 WeakPolarHBondContact O-CG 3.45Å; E662-K666 PolarHBondContact O-N 2.96Å; E662-K666 WeakPolarHBondContact OE1-CE 3.43Å; E662-K666 IonicContact OE1-NZ 2.71Å; E662-K666 PolarHBondContact OE1-NZ 3.44Å
663	K	75.1	Confident	72.4	Confident	120 Å²	120	88.9 Å²	88.9	52%	0.522	42%	0.421	S	S	.	.	H	α-helix	trans	-72.9	-14	176.4	-169.1	168.4	-174.9	170.1	0	114.3	A659 E660 Q661 R667	A659-K663 WeakPolarHBondContact O-CB 3.39Å; A659-K663 PolarHBondContact O-N 3.5Å; A659-K663 VanDerWaalsContact O-N 3.11Å; E660-K663 PolarHBondContact O-N 2.88Å; Q661-K663 PolarHBondContact O-N 2.94Å; K663-R667 WeakPolarHBondContact O-CG 3.49Å; K663-R667 PolarHBondContact O-NE 3.19Å
664	I	75.9	Confident	74.4	Confident	77 Å²	77	86.9 Å²	86.9	40%	0.395	41%	0.41	S	S	.	.	H	α-helix	trans	-89.5	-43.2	170.3	-68.5	165.2	0	0	0	109.7	E660 Q661 E662 K666 R667 R668	E660-I664 WeakPolarHBondContact O-CG1 3.45Å; E660-I664 PolarHBondContact O-N 3.24Å; E660-I664 VanDerWaalsContact O-N 3.16Å; Q661-I664 CarbonylContact O-C 3.57Å; Q661-I664 WeakPolarHBondContact O-CA 3.44Å; Q661-I664 WeakPolarHBondContact O-CB 3.3Å; Q661-I664 PolarHBondContact O-N 2.84Å; E662-I664 VanDerWaalsContact C-N 3.28Å; E662-I664 PolarHBondContact O-N 3.24Å; I664-K666 PolarHBondContact O-N 3.19Å; I664-R667 PolarHBondContact O-N 2.9Å; I664-R668 WeakPolarHBondContact O-CG 3.22Å; I664-R668 PolarHBondContact O-N 3.48Å
665	E	73.4	Confident	76.6	Confident	41 Å²	41	85 Å²	85	19%	0.192	40%	0.4	C	S	.	.	H	α-helix	trans	-62	-42.1	175.7	-69.7	172.5	-174	0	0	111.3	L649 R657 Q661 E662 R667 R668 Q669	L649-E665 HydrophobicContact CD2-CB 3.98Å; L649-E665 WeakPolarHBondContact CD2-OE2 3.43Å; R657-E665 IonicContact NH1-OE2 2.74Å; R657-E665 PolarHBondContact NH1-OE2 3.43Å; Q661-E665 HydrophobicContact CG-CG 4.36Å; Q661-E665 WeakPolarHBondContact CG-OE1 3.47Å; Q661-E665 PolarHBondContact NE2-OE1 3.37Å; Q661-E665 PolarHBondContact O-N 3.22Å; E662-E665 PolarHBondContact O-N 2.76Å; E665-R667 VanDerWaalsContact C-N 3.29Å; E665-R667 PolarHBondContact O-N 2.98Å; E665-R668 WeakPolarHBondContact O-CB 3.24Å; E665-R668 PolarHBondContact O-N 2.99Å; E665-Q669 PolarHBondContact O-N 3.36Å
666	K	75.5	Confident	78.5	Confident	105 Å²	105	76.4 Å²	76.4	46%	0.457	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-57.5	-35.6	172.5	-82	174.4	167.4	171.5	0	113.8	L649 E662 I664 R668 Q669	L649-K666 HydrophobicContact CD1-CG 4.31Å; E662-K666 WeakPolarHBondContact O-CB 3.49Å; E662-K666 WeakPolarHBondContact O-CG 3.45Å; E662-K666 PolarHBondContact O-N 2.96Å; E662-K666 WeakPolarHBondContact OE1-CE 3.43Å; E662-K666 IonicContact OE1-NZ 2.71Å; E662-K666 PolarHBondContact OE1-NZ 3.44Å; I664-K666 PolarHBondContact O-N 3.19Å; K666-R668 VanDerWaalsContact C-N 3.32Å; K666-R668 PolarHBondContact O-N 3.46Å; K666-Q669 WeakPolarHBondContact O-CB 3.44Å; K666-Q669 PolarHBondContact O-N 3.09Å
667	R	77.3	Confident	80.3	Confident	128 Å²	128	71.1 Å²	71.1	48%	0.483	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-74.6	-19.5	175	-70.8	-176.6	-120.6	-173.7	-2.1	114.1	Q460 K663 I664 E665 Q669	Q460-R667 PolarHBondContact NE2-O 3.24Å; K663-R667 WeakPolarHBondContact O-CG 3.49Å; K663-R667 PolarHBondContact O-NE 3.19Å; I664-R667 PolarHBondContact O-N 2.9Å; E665-R667 VanDerWaalsContact C-N 3.29Å; E665-R667 PolarHBondContact O-N 2.98Å; R667-Q669 VanDerWaalsContact C-N 3.32Å
668	R	83	Confident	81.6	Confident	107 Å²	107	70 Å²	70	40%	0.404	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-87.9	-1.3	176.4	-66.7	172.4	-179.6	170.3	0.3	112.6	I606 I664 E665 K666	I606-R668 HydrophobicContact CD1-CB 4.26Å; I664-R668 WeakPolarHBondContact O-CG 3.22Å; I664-R668 PolarHBondContact O-N 3.48Å; E665-R668 WeakPolarHBondContact O-CB 3.24Å; E665-R668 PolarHBondContact O-N 2.99Å; K666-R668 VanDerWaalsContact C-N 3.32Å; K666-R668 PolarHBondContact O-N 3.46Å
669	Q	85.6	Confident	82.7	Confident	46 Å²	46	67.8 Å²	67.8	22%	0.215	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-70	138.5	178.7	-69.5	172.3	12.8	0	0	110.5	Q460 G646 E665 K666 R667	Q460-Q669 PolarHBondContact NE2-O 2.62Å; G646-Q669 CarbonylContact O-C 3.59Å; G646-Q669 WeakPolarHBondContact O-CA 3.18Å; G646-Q669 WeakPolarHBondContact O-CB 3.49Å; E665-Q669 PolarHBondContact O-N 3.36Å; K666-Q669 WeakPolarHBondContact O-CB 3.44Å; K666-Q669 PolarHBondContact O-N 3.09Å; R667-Q669 VanDerWaalsContact C-N 3.32Å
670	V	88.8	Confident	83.7	Confident	25 Å²	25	65 Å²	65	15%	0.152	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-78.8	145.7	174	-70.9	0	0	0	0	109.7	I606 G646 M674 H675	I606-V670 HydrophobicContact CG2-CG1 4.31Å; G646-V670 PolarHBondContact O-N 3.04Å; V670-M674 HydrophobicContact CB-CB 4.23Å; V670-M674 HydrophobicContact CB-SD 4.44Å; V670-H675 PolarHBondContact O-CD2 2.84Å; V670-H675 PolarHBondContact O-NE2 3.35Å
671	P	91	Very high	84.6	Confident	7 Å²	7	57.1 Å²	57.1	5%	0.045	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-55	149.4	173.2	-29.3	37.1	0	0	0	113.3	T456 M459 H673 M674 H675	T456-P671 HydrophobicContact CG2-CG 4.08Å; M459-P671 HydrophobicContact CB-CB 3.87Å; M459-P671 HydrophobicContact CB-CG 4.12Å; P671-H673 VanDerWaalsContact C-N 3.33Å; P671-H673 WeakPolarHBondContact CB-CE1 3.46Å; P671-H673 PolarHBondContact O-N 3.08Å; P671-M674 HydrophobicContact CB-CG 4.44Å; P671-M674 WeakPolarHBondContact O-CA 3.43Å; P671-M674 VanDerWaalsContact O-CB 3.28Å; P671-M674 WeakPolarHBondContact O-CB 3.15Å; P671-M674 PolarHBondContact O-N 3.34Å; P671-H675 PolarHBondContact O-CD2 2.82Å
672	F	89.7	Confident	85.4	Confident	84 Å²	84	53 Å²	53	37%	0.368	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-56.3	-37.9	-175.8	-180	-108.4	0	0	0	114.7	P464 Y469 M674 H675	P464-F672 HydrophobicContact CB-CB 3.96Å; P464-F672 HydrophobicContact CB-CD1 3.78Å; P464-F672 HydrophobicContact CB-CD2 3.82Å; P464-F672 HydrophobicContact CB-CE1 4.16Å; P464-F672 HydrophobicContact CB-CE2 4.2Å; P464-F672 HydrophobicContact CB-CG 3.59Å; P464-F672 HydrophobicContact CB-CZ 4.36Å; P464-F672 HydrophobicContact CG-CB 3.99Å; P464-F672 HydrophobicContact CG-CD2 4.21Å; P464-F672 HydrophobicContact CG-CG 4.08Å; Y469-F672 HydrophobicContact CE1-CB 4.36Å; Y469-F672 HydrophobicContact CE1-CD1 4.38Å; Y469-F672 HydrophobicContact CE2-CB 4.12Å; Y469-F672 PolarHBondContact OH-N 3.14Å; Y469-F672 VanDerWaalsContact OH-N 3.1Å; F672-M674 PolarHBondContact O-N 3.47Å; F672-H675 HydrophobicContact CD2-CB 4.44Å; F672-H675 AromaticContact CD2-ND1 3.72Å; F672-H675 VanDerWaalsContact O-CB 3.3Å; F672-H675 WeakPolarHBondContact O-CB 3.11Å; F672-H675 PolarHBondContact O-N 3.35Å
673	H	88.1	Confident	86.3	Confident	45 Å²	45	51.3 Å²	51.3	21%	0.208	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-63.2	-10.8	174.2	61.2	-100.4	0	0	0	114.2	Y469 L473 Y512 P671	Y469-H673 HydrophobicContact CE1-CB 4.36Å; Y469-H673 AromaticContact CZ-ND1 3.86Å; Y469-H673 PolarHBondContact OH-N 2.87Å; Y469-H673 PolarHBondContact OH-ND1 2.99Å; L473-H673 HydrophobicContact CD1-CB 4.39Å; Y512-H673 AromaticContact CE2-CD2 3.86Å; Y512-H673 AromaticContact CZ-CD2 3.83Å; Y512-H673 PolarHBondContact OH-CD2 2.94Å; P671-H673 VanDerWaalsContact C-N 3.33Å; P671-H673 WeakPolarHBondContact CB-CE1 3.46Å; P671-H673 PolarHBondContact O-N 3.08Å
674	M	89.8	Confident	87.1	Confident	25 Å²	25	45.6 Å²	45.6	12%	0.123	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-100	-1.4	172.7	-53.6	-166.2	115.2	0	0	113.6	Y511 Y512 R610 V670 P671 F672	Y511-M674 HydrophobicContact CE1-CE 3.91Å; Y511-M674 WeakPolarHBondContact OH-CE 3.3Å; Y512-M674 HydrophobicContact CD1-CE 3.53Å; Y512-M674 HydrophobicContact CE1-CE 3.58Å; Y512-M674 HydrophobicContact CG-CE 4.2Å; R610-M674 PolarHBondContact NE-O 2.98Å; R610-M674 PolarHBondContact NH2-O 3.35Å; V670-M674 HydrophobicContact CB-CB 4.23Å; V670-M674 HydrophobicContact CB-SD 4.44Å; P671-M674 HydrophobicContact CB-CG 4.44Å; P671-M674 WeakPolarHBondContact O-CA 3.43Å; P671-M674 VanDerWaalsContact O-CB 3.28Å; P671-M674 WeakPolarHBondContact O-CB 3.15Å; P671-M674 PolarHBondContact O-N 3.34Å; F672-M674 PolarHBondContact O-N 3.47Å
675	H	91.3	Very high	88	Confident	56 Å²	56	41.9 Å²	41.9	26%	0.259	19%	0.189	S	C	.	.			trans	-72.7	150.5	-178.1	-72	-160.3	0	0	0	111.2	Q647 V670 P671 F672	Q647-H675 HydrophobicContact CG-CB 4.28Å; V670-H675 PolarHBondContact O-CD2 2.84Å; V670-H675 PolarHBondContact O-NE2 3.35Å; P671-H675 PolarHBondContact O-CD2 2.82Å; F672-H675 HydrophobicContact CD2-CB 4.44Å; F672-H675 AromaticContact CD2-ND1 3.72Å; F672-H675 VanDerWaalsContact O-CB 3.3Å; F672-H675 WeakPolarHBondContact O-CB 3.11Å; F672-H675 PolarHBondContact O-N 3.35Å
676	I	91.2	Very high	88.9	Confident	11 Å²	11	40.1 Å²	40.1	6%	0.056	18%	0.181	C	C	.	.			trans	-111.6	118.3	170.6	-56.1	173.3	0	0	0	105.4	Y573 R610 V613 I617 Q647 L678	Y573-I676 HydrophobicContact CE2-CD1 4.27Å; R610-I676 HydrophobicContact CB-CD1 4.48Å; V613-I676 HydrophobicContact CB-CD1 4.35Å; V613-I676 HydrophobicContact CG1-CD1 3.89Å; V613-I676 HydrophobicContact CG1-CG2 4.02Å; I617-I676 HydrophobicContact CD1-CG2 3.82Å; Q647-I676 PolarHBondContact NE2-O 2.68Å; Q647-I676 PolarHBondContact OE1-O 3.25Å; I676-L678 PolarHBondContact O-N 3.4Å
677	N	90.5	Very high	89.6	Confident	58 Å²	58	35.1 Å²	35.1	31%	0.31	16%	0.159	S	C	.	.			trans	-54.5	124.8	-173.5	-178.3	5	0	0	0	111.2	E679 L680 L681 L767	N677-E679 VanDerWaalsContact C-N 3.27Å; N677-E679 PolarHBondContact O-N 3.09Å; N677-E679 PolarHBondContact OD1-N 2.84Å; N677-L680 HydrophobicContact CB-CB 3.96Å; N677-L680 WeakPolarHBondContact O-CB 3.47Å; N677-L680 PolarHBondContact O-N 2.92Å; N677-L681 PolarHBondContact O-N 3.36Å; N677-L767 HydrophobicContact CB-CD1 4.09Å; N677-L767 WeakPolarHBondContact ND2-CD1 3.4Å
678	L	89.9	Confident	90.4	Very high	44 Å²	44	29 Å²	29	23%	0.23	14%	0.136	C	C	.	.	H	α-helix	trans	-66.8	-29.2	-179.5	-60	175.8	0	0	0	112.4	K642 L645 I676 L681 E682	K642-L678 HydrophobicContact CB-CD1 3.64Å; K642-L678 HydrophobicContact CD-CD1 3.9Å; K642-L678 HydrophobicContact CG-CD1 3.77Å; L645-L678 HydrophobicContact CD1-CD2 3.9Å; I676-L678 PolarHBondContact O-N 3.4Å; L678-L681 HydrophobicContact CD2-CD2 4.28Å; L678-E682 WeakPolarHBondContact O-CB 3.26Å; L678-E682 PolarHBondContact O-N 2.81Å
679	E	90.3	Very high	90.8	Very high	73 Å²	73	24 Å²	24	34%	0.341	12%	0.117	S	C	.	.	H	α-helix	trans	-71.7	-37.6	175.2	-66.1	-172.6	123.5	0	0	111.3	N677 C683 M732 K763	N677-E679 VanDerWaalsContact C-N 3.27Å; N677-E679 PolarHBondContact O-N 3.09Å; N677-E679 PolarHBondContact OD1-N 2.84Å; E679-C683 WeakPolarHBondContact O-CB 3.27Å; E679-C683 PolarHBondContact O-N 3.05Å; E679-M732 HydrophobicContact CB-SD 3.51Å; E679-M732 VanDerWaalsContact CB-SD 3.51Å; E679-M732 HydrophobicContact CG-SD 3.88Å; E679-M732 WeakPolarHBondContact O-CE 3.48Å; E679-K763 WeakPolarHBondContact OE1-CE 3.4Å; E679-K763 IonicContact OE1-NZ 3.33Å; E679-K763 PolarHBondContact OE1-NZ 3.28Å; E679-K763 WeakPolarHBondContact OE2-CE 3.39Å; E679-K763 IonicContact OE2-NZ 3.18Å; E679-K763 PolarHBondContact OE2-NZ 2.99Å
680	L	91.5	Very high	91.1	Very high	14 Å²	14	21.8 Å²	21.8	7%	0.073	11%	0.107	C	C	.	.	H	α-helix	trans	-63.4	-47.5	170.3	168.9	62.7	0	0	0	111.3	N677 E682 C683 V684 V764 L767 F768	N677-L680 HydrophobicContact CB-CB 3.96Å; N677-L680 WeakPolarHBondContact O-CB 3.47Å; N677-L680 PolarHBondContact O-N 2.92Å; L680-E682 PolarHBondContact O-N 3.5Å; L680-C683 PolarHBondContact O-N 3.09Å; L680-V684 HydrophobicContact CD1-CG2 3.98Å; L680-V684 WeakPolarHBondContact O-CB 3.43Å; L680-V684 WeakPolarHBondContact O-CG2 3.38Å; L680-V684 PolarHBondContact O-N 3.44Å; L680-V764 HydrophobicContact CD1-CG1 3.6Å; L680-L767 HydrophobicContact CB-CD1 4.47Å; L680-L767 HydrophobicContact CD2-CB 4.36Å; L680-F768 HydrophobicContact CD1-CD2 4.39Å; L680-F768 HydrophobicContact CD1-CE2 3.52Å; L680-F768 HydrophobicContact CD1-CZ 3.7Å
681	L	91.8	Very high	91.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.5	-49.1	174.9	165.9	59.9	0	0	0	111.7	V613 L632 A641 L645 N677 L678 Y685	V613-L681 HydrophobicContact CG1-CD1 4.07Å; V613-L681 HydrophobicContact CG2-CD1 4.16Å; V613-L681 HydrophobicContact CG2-CD2 4.27Å; L632-L681 HydrophobicContact CD1-CD1 4.13Å; L632-L681 HydrophobicContact CD2-CD1 3.69Å; L632-L681 HydrophobicContact CG-CD1 4.32Å; A641-L681 HydrophobicContact CB-CD2 4.41Å; L645-L681 HydrophobicContact CD1-CD2 3.81Å; N677-L681 PolarHBondContact O-N 3.36Å; L678-L681 HydrophobicContact CD2-CD2 4.28Å; L681-Y685 WeakPolarHBondContact O-CB 3.29Å; L681-Y685 PolarHBondContact O-N 2.83Å
682	E	91.3	Very high	91.2	Very high	11 Å²	11	22.7 Å²	22.7	5%	0.051	11%	0.11	C	C	.	.	H	α-helix	trans	-69	-36.9	179.9	-177.8	162.8	-124.2	0	0	112.3	Q636 L678 L680 Y685 L686 M732 R733	Q636-E682 PolarHBondContact NE2-OE1 3.42Å; L678-E682 WeakPolarHBondContact O-CB 3.26Å; L678-E682 PolarHBondContact O-N 2.81Å; L680-E682 PolarHBondContact O-N 3.5Å; E682-Y685 PolarHBondContact O-N 3.4Å; E682-L686 HydrophobicContact CG-CD1 3.71Å; E682-L686 HydrophobicContact CG-CG 4.06Å; E682-L686 WeakPolarHBondContact O-CB 3.11Å; E682-L686 VanDerWaalsContact O-CG 3.26Å; E682-L686 WeakPolarHBondContact O-CG 3.45Å; E682-L686 PolarHBondContact O-N 3.48Å; E682-M732 HydrophobicContact CB-CE 3.86Å; E682-M732 HydrophobicContact CG-CE 3.8Å; E682-R733 VanDerWaalsContact CD-NE 3.34Å; E682-R733 IonicContact OE1-CZ 3.59Å; E682-R733 IonicContact OE1-NE 2.96Å; E682-R733 PolarHBondContact OE1-NE 2.98Å; E682-R733 IonicContact OE1-NH2 2.69Å; E682-R733 PolarHBondContact OE1-NH2 3.07Å; E682-R733 IonicContact OE2-CZ 2.73Å; E682-R733 IonicContact OE2-NE 3.86Å; E682-R733 PolarHBondContact OE2-NE 3.15Å; E682-R733 IonicContact OE2-NH2 3.25Å; E682-R733 PolarHBondContact OE2-NH2 2.57Å
683	C	91.5	Very high	91.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64	-49.5	175.5	-172.8	0	0	0	0	110.9	E679 L680 Y685 L686 V687 M732 V764	E679-C683 WeakPolarHBondContact O-CB 3.27Å; E679-C683 PolarHBondContact O-N 3.05Å; L680-C683 PolarHBondContact O-N 3.09Å; C683-Y685 VanDerWaalsContact C-N 3.3Å; C683-Y685 PolarHBondContact O-N 3.43Å; C683-L686 PolarHBondContact O-N 2.85Å; C683-V687 WeakPolarHBondContact O-CB 3.3Å; C683-V687 VanDerWaalsContact O-CG2 3.3Å; C683-V687 WeakPolarHBondContact O-CG2 3.26Å; C683-V687 PolarHBondContact O-N 2.77Å; C683-M732 HydrophobicContact CB-CE 3.93Å; C683-V764 HydrophobicContact CB-CG1 3.94Å; C683-V764 HydrophobicContact CB-CG2 4.1Å
684	V	92.6	Very high	91.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58	-42.2	175.4	168.5	0	0	0	0	111.2	F620 L632 L680 S688 F768	F620-V684 HydrophobicContact CB-CG1 3.82Å; F620-V684 HydrophobicContact CD1-CG1 4.08Å; F620-V684 HydrophobicContact CD1-CG2 4.11Å; F620-V684 HydrophobicContact CD2-CG1 3.87Å; F620-V684 HydrophobicContact CE1-CG2 4.2Å; F620-V684 HydrophobicContact CE2-CG1 4.45Å; F620-V684 HydrophobicContact CG-CG1 3.65Å; L632-V684 HydrophobicContact CD1-CG1 3.8Å; L680-V684 HydrophobicContact CD1-CG2 3.98Å; L680-V684 WeakPolarHBondContact O-CB 3.43Å; L680-V684 WeakPolarHBondContact O-CG2 3.38Å; L680-V684 PolarHBondContact O-N 3.44Å; V684-S688 VanDerWaalsContact O-CB 3.24Å; V684-S688 WeakPolarHBondContact O-CB 3.31Å; V684-S688 PolarHBondContact O-N 2.95Å; V684-S688 PolarHBondContact O-OG 3.04Å; V684-F768 HydrophobicContact CG2-CZ 4.28Å
685	Y	93.4	Very high	91	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64	-48.8	175.7	175.2	-100.7	0	0	0	112.7	H629 L632 L633 Q636 L681 E682 C683 S688 A689 S710 Q712	H629-Y685 AromaticContact CE1-CE2 3.32Å; H629-Y685 WeakPolarHBondContact CE1-CE2 3.45Å; H629-Y685 AromaticContact CE1-CZ 3.59Å; H629-Y685 AromaticContact ND1-CE2 3.62Å; H629-Y685 AromaticContact NE2-CE2 3.97Å; L632-Y685 HydrophobicContact CB-CD2 3.97Å; L633-Y685 HydrophobicContact CB-CE2 4.38Å; L633-Y685 HydrophobicContact CD1-CE2 4.11Å; L633-Y685 WeakPolarHBondContact CD1-OH 3.36Å; Q636-Y685 HydrophobicContact CB-CD1 4.17Å; Q636-Y685 HydrophobicContact CB-CD2 4.4Å; Q636-Y685 HydrophobicContact CB-CE1 4.5Å; Q636-Y685 HydrophobicContact CB-CG 4.12Å; Q636-Y685 HydrophobicContact CG-CD1 3.78Å; Q636-Y685 HydrophobicContact CG-CE1 4.27Å; Q636-Y685 HydrophobicContact CG-CG 4.1Å; L681-Y685 WeakPolarHBondContact O-CB 3.29Å; L681-Y685 PolarHBondContact O-N 2.83Å; E682-Y685 PolarHBondContact O-N 3.4Å; C683-Y685 VanDerWaalsContact C-N 3.3Å; C683-Y685 PolarHBondContact O-N 3.43Å; Y685-S688 PolarHBondContact O-N 3.41Å; Y685-A689 WeakPolarHBondContact O-CB 3.43Å; Y685-A689 PolarHBondContact O-N 2.91Å; Y685-S710 PolarHBondContact OH-OG 2.94Å; Y685-Q712 HydrophobicContact CE1-CB 4.1Å; Y685-Q712 HydrophobicContact CE1-CG 4.16Å
686	L	92.1	Very high	90.8	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-69.2	-38.7	-177.5	-71.1	174.4	0	0	0	112.2	E682 C683 A689 M690 F713 R733 V736	E682-L686 HydrophobicContact CG-CD1 3.71Å; E682-L686 HydrophobicContact CG-CG 4.06Å; E682-L686 WeakPolarHBondContact O-CB 3.11Å; E682-L686 VanDerWaalsContact O-CG 3.26Å; E682-L686 WeakPolarHBondContact O-CG 3.45Å; E682-L686 PolarHBondContact O-N 3.48Å; C683-L686 PolarHBondContact O-N 2.85Å; L686-A689 PolarHBondContact O-N 2.69Å; L686-M690 VanDerWaalsContact O-CB 3.26Å; L686-M690 WeakPolarHBondContact O-CB 3.42Å; L686-M690 PolarHBondContact O-N 3.27Å; L686-F713 HydrophobicContact CD2-CD2 4.16Å; L686-R733 HydrophobicContact CD1-CG 4.14Å; L686-V736 HydrophobicContact CB-CG1 4.03Å
687	V	91.9	Very high	90.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.9	-39	173.3	172.5	0	0	0	0	110.7	F620 C683 M690 L691 V736 L778	F620-V687 HydrophobicContact CE2-CG1 4.17Å; F620-V687 HydrophobicContact CZ-CG1 4.25Å; C683-V687 WeakPolarHBondContact O-CB 3.3Å; C683-V687 VanDerWaalsContact O-CG2 3.3Å; C683-V687 WeakPolarHBondContact O-CG2 3.26Å; C683-V687 PolarHBondContact O-N 2.77Å; V687-M690 WeakPolarHBondContact O-CB 3.35Å; V687-M690 PolarHBondContact O-N 3.42Å; V687-L691 HydrophobicContact CG1-CD1 4.26Å; V687-L691 WeakPolarHBondContact O-CG 3.31Å; V687-L691 PolarHBondContact O-N 3.34Å; V687-L691 VanDerWaalsContact O-N 3.08Å; V687-V736 HydrophobicContact CG2-CG1 4.42Å; V687-V736 HydrophobicContact CG2-CG2 3.84Å; V687-L778 HydrophobicContact CG1-CD1 3.72Å
688	S	92.3	Very high	89.9	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.9	-38	173.6	-57.4	0	0	0	0	112.2	F620 V684 Y685 L692	F620-S688 WeakPolarHBondContact CD2-OG 3.37Å; V684-S688 VanDerWaalsContact O-CB 3.24Å; V684-S688 WeakPolarHBondContact O-CB 3.31Å; V684-S688 PolarHBondContact O-N 2.95Å; V684-S688 PolarHBondContact O-OG 3.04Å; Y685-S688 PolarHBondContact O-N 3.41Å; S688-L692 WeakPolarHBondContact O-CD1 3.26Å; S688-L692 VanDerWaalsContact O-CG 3.25Å; S688-L692 WeakPolarHBondContact O-CG 3.24Å; S688-L692 PolarHBondContact O-N 3.14Å
689	A	92.1	Very high	89.3	Confident	2 Å²	2	16.3 Å²	16.3	2%	0.017	9%	0.086	C	C	.	.	H	α-helix	trans	-65.8	-44.2	173.1	0	0	0	0	0	111.5	Y685 L686 L691 L692 E693 F713	Y685-A689 WeakPolarHBondContact O-CB 3.43Å; Y685-A689 PolarHBondContact O-N 2.91Å; L686-A689 PolarHBondContact O-N 2.69Å; A689-L691 PolarHBondContact O-N 3.41Å; A689-L692 PolarHBondContact O-N 2.91Å; A689-E693 WeakPolarHBondContact O-CB 3.33Å; A689-E693 PolarHBondContact O-N 3.21Å; A689-F713 HydrophobicContact CB-CB 3.83Å; A689-F713 HydrophobicContact CB-CD2 3.99Å; A689-F713 HydrophobicContact CB-CG 3.93Å
690	M	91.4	Very high	88.6	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-55.6	-50.6	178.8	-174.4	-163.3	76.6	0	0	111.9	L686 V687 L692 I694 F713 V736 A739 M743 I755	L686-M690 VanDerWaalsContact O-CB 3.26Å; L686-M690 WeakPolarHBondContact O-CB 3.42Å; L686-M690 PolarHBondContact O-N 3.27Å; V687-M690 WeakPolarHBondContact O-CB 3.35Å; V687-M690 PolarHBondContact O-N 3.42Å; M690-L692 VanDerWaalsContact C-N 3.27Å; M690-L692 PolarHBondContact O-N 2.7Å; M690-I694 HydrophobicContact CB-CD1 4.49Å; M690-I694 HydrophobicContact CG-CD1 3.41Å; M690-I694 VanDerWaalsContact CG-CD1 3.41Å; M690-I694 HydrophobicContact CG-CG1 4.37Å; M690-I694 WeakPolarHBondContact O-CB 3.37Å; M690-I694 VanDerWaalsContact O-CG1 3.31Å; M690-I694 WeakPolarHBondContact O-CG1 3.45Å; M690-I694 PolarHBondContact O-N 3Å; M690-I694 VanDerWaalsContact O-N 3.14Å; M690-F713 HydrophobicContact CB-CE2 3.89Å; M690-F713 HydrophobicContact CB-CZ 4.09Å; M690-F713 HydrophobicContact CG-CE2 4.4Å; M690-F713 HydrophobicContact CG-CZ 4.3Å; M690-V736 HydrophobicContact CB-CG1 4.34Å; M690-V736 HydrophobicContact SD-CG1 4.12Å; M690-A739 HydrophobicContact SD-CB 4.08Å; M690-M743 HydrophobicContact CE-SD 3.9Å; M690-M743 HydrophobicContact CG-SD 4.43Å; M690-I755 HydrophobicContact CE-CD1 3.69Å; M690-I755 HydrophobicContact SD-CD1 4.1Å
691	L	91.6	Very high	87.5	Confident	4 Å²	4	18.6 Å²	18.6	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-66.7	-24	-179.3	-68.9	171.7	0	0	0	113.7	I625 V687 A689 P695 M743 L778 K781 I782 E785	I625-L691 HydrophobicContact CD1-CD1 4.31Å; I625-L691 HydrophobicContact CG1-CD1 4.22Å; I625-L691 HydrophobicContact CG2-CB 4.22Å; I625-L691 HydrophobicContact CG2-CD1 4.26Å; V687-L691 HydrophobicContact CG1-CD1 4.26Å; V687-L691 WeakPolarHBondContact O-CG 3.31Å; V687-L691 PolarHBondContact O-N 3.34Å; V687-L691 VanDerWaalsContact O-N 3.08Å; A689-L691 PolarHBondContact O-N 3.41Å; L691-P695 WeakPolarHBondContact O-CD 3.44Å; L691-P695 WeakPolarHBondContact O-CG 3.32Å; L691-M743 HydrophobicContact CD2-CE 4.12Å; L691-M743 HydrophobicContact CD2-SD 4.33Å; L691-L778 HydrophobicContact CD1-CD1 4.27Å; L691-K781 HydrophobicContact CD1-CB 4.18Å; L691-I782 HydrophobicContact CD2-CG1 4.33Å; L691-E785 HydrophobicContact CD2-CB 4.22Å; L691-E785 HydrophobicContact CD2-CG 4.32Å
692	L	90.4	Very high	85.9	Confident	46 Å²	46	24.3 Å²	24.3	24%	0.241	12%	0.121	C	C	.	.	H	α-helix	trans	-93.1	-40.3	179	-65.6	169.1	0	0	0	112.7	I625 K626 H629 S688 A689 M690 Y696	I625-L692 HydrophobicContact CG2-CD1 4.42Å; I625-L692 HydrophobicContact CG2-CG 4.23Å; K626-L692 HydrophobicContact CB-CD2 4.26Å; H629-L692 HydrophobicContact CB-CD1 3.6Å; S688-L692 WeakPolarHBondContact O-CD1 3.26Å; S688-L692 VanDerWaalsContact O-CG 3.25Å; S688-L692 WeakPolarHBondContact O-CG 3.24Å; S688-L692 PolarHBondContact O-N 3.14Å; A689-L692 PolarHBondContact O-N 2.91Å; M690-L692 VanDerWaalsContact C-N 3.27Å; M690-L692 PolarHBondContact O-N 2.7Å; L692-Y696 WeakPolarHBondContact O-CB 3.45Å
693	E	88.7	Confident	84.5	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-83.4	-35.3	-171.3	-165.2	100.5	-111.5	0	0	111.8	A689 Y696 M697 I709 S710 F713 H714	A689-E693 WeakPolarHBondContact O-CB 3.33Å; A689-E693 PolarHBondContact O-N 3.21Å; E693-Y696 PolarHBondContact O-N 3.33Å; E693-M697 HydrophobicContact CG-CG 4.07Å; E693-M697 HydrophobicContact CG-SD 3.7Å; E693-M697 VanDerWaalsContact O-CB 3.3Å; E693-M697 WeakPolarHBondContact O-CB 3.47Å; E693-M697 VanDerWaalsContact O-CG 3.22Å; E693-M697 WeakPolarHBondContact O-CG 3.44Å; E693-M697 PolarHBondContact O-N 2.9Å; E693-I709 WeakPolarHBondContact OE1-CB 3.34Å; E693-I709 WeakPolarHBondContact OE1-CG1 3.25Å; E693-I709 PolarHBondContact OE1-N 2.73Å; E693-I709 PolarHBondContact OE2-N 3.39Å; E693-S710 PolarHBondContact OE2-N 2.97Å; E693-F713 HydrophobicContact CB-CD1 4.16Å; E693-F713 HydrophobicContact CB-CE1 4.15Å; E693-F713 HydrophobicContact CG-CD1 4.08Å; E693-F713 HydrophobicContact CG-CE1 4.25Å; E693-H714 IonicContact OE1-CE1 2.71Å; E693-H714 PolarHBondContact OE1-CE1 3.06Å; E693-H714 IonicContact OE1-ND1 2.71Å; E693-H714 IonicContact OE2-CE1 3Å; E693-H714 PolarHBondContact OE2-CE1 3.36Å; E693-H714 IonicContact OE2-ND1 3.76Å; E693-H714 PolarHBondContact OE2-ND1 3.08Å
694	I	88.8	Confident	82.6	Confident	10 Å²	10	28.8 Å²	28.8	5%	0.051	15%	0.151	C	C	.	.	H	α-helix	trans	-67	-49.1	-177.5	-64.5	172.7	0	0	0	113	M690 Y696 M697 A698 M743 K744 T789	M690-I694 HydrophobicContact CB-CD1 4.49Å; M690-I694 HydrophobicContact CG-CD1 3.41Å; M690-I694 VanDerWaalsContact CG-CD1 3.41Å; M690-I694 HydrophobicContact CG-CG1 4.37Å; M690-I694 WeakPolarHBondContact O-CB 3.37Å; M690-I694 VanDerWaalsContact O-CG1 3.31Å; M690-I694 WeakPolarHBondContact O-CG1 3.45Å; M690-I694 PolarHBondContact O-N 3Å; M690-I694 VanDerWaalsContact O-N 3.14Å; I694-Y696 PolarHBondContact O-N 3.36Å; I694-M697 PolarHBondContact O-N 3.25Å; I694-A698 PolarHBondContact O-N 3.27Å; I694-M743 HydrophobicContact CB-CE 4.43Å; I694-M743 HydrophobicContact CD1-CB 4Å; I694-M743 HydrophobicContact CD1-CG 4.15Å; I694-M743 HydrophobicContact CD1-SD 3.86Å; I694-M743 HydrophobicContact CG2-CE 4.48Å; I694-M743 HydrophobicContact CG2-CG 4.16Å; I694-K744 HydrophobicContact CG2-CB 4.46Å; I694-T789 HydrophobicContact CG2-CG2 3.68Å
695	P	86.9	Confident	80.9	Confident	5 Å²	5	35 Å²	35	3%	0.032	17%	0.174	C	C	.	.	H	α-helix	trans	-61.3	-36.6	176.6	-21.3	33.3	0	0	0	111.4	L691 A698 A699 M743 E785 F792	L691-P695 WeakPolarHBondContact O-CD 3.44Å; L691-P695 WeakPolarHBondContact O-CG 3.32Å; P695-A698 PolarHBondContact O-N 3.43Å; P695-A699 WeakPolarHBondContact O-CB 3.42Å; P695-A699 PolarHBondContact O-N 3.46Å; P695-M743 HydrophobicContact CG-CE 4.29Å; P695-E785 HydrophobicContact CG-CB 4.08Å; P695-E785 WeakPolarHBondContact CG-OE2 3.31Å; P695-F792 HydrophobicContact CB-CD2 4.45Å; P695-F792 HydrophobicContact CB-CE2 4.06Å; P695-F792 WeakPolarHBondContact O-CD2 3.42Å; P695-F792 WeakPolarHBondContact O-CE2 3.19Å
696	Y	85.6	Confident	79.5	Confident	62 Å²	62	42.7 Å²	42.7	24%	0.243	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-43.7	175.8	-175.6	-103.8	0	0	0	112.5	L692 E693 I694 A698 H700 R707 I709	L692-Y696 WeakPolarHBondContact O-CB 3.45Å; E693-Y696 PolarHBondContact O-N 3.33Å; I694-Y696 PolarHBondContact O-N 3.36Å; Y696-A698 VanDerWaalsContact C-N 3.32Å; Y696-A698 PolarHBondContact O-N 3.18Å; Y696-H700 AromaticContact CD2-CD2 3.37Å; Y696-H700 WeakPolarHBondContact CD2-CD2 3.35Å; Y696-H700 AromaticContact CD2-NE2 3.82Å; Y696-H700 AromaticContact CE2-CD2 3.14Å; Y696-H700 WeakPolarHBondContact CE2-CD2 3.36Å; Y696-H700 AromaticContact CE2-CG 3.92Å; Y696-H700 AromaticContact CE2-NE2 3.42Å; Y696-H700 WeakPolarHBondContact CE2-NE2 3.28Å; Y696-H700 AromaticContact CZ-CD2 3.77Å; Y696-H700 WeakPolarHBondContact O-CB 3.37Å; Y696-H700 PolarHBondContact O-CD2 3.04Å; Y696-H700 PolarHBondContact O-N 2.96Å; Y696-R707 HydrophobicContact CE1-CB 4.34Å; Y696-R707 VanDerWaalsContact CE1-O 3.24Å; Y696-R707 WeakPolarHBondContact CE1-O 3.44Å; Y696-I709 HydrophobicContact CD1-CD1 4.21Å; Y696-I709 HydrophobicContact CD1-CG1 4.44Å; Y696-I709 HydrophobicContact CG-CD1 4.2Å
697	M	82.3	Confident	78.3	Confident	60 Å²	60	51.3 Å²	51.3	30%	0.296	24%	0.235	S	C	.	.	H	α-helix	trans	-66.8	-30.6	176.3	-77	176.3	66.1	0	0	113.1	E693 I694 E701 L717	E693-M697 HydrophobicContact CG-CG 4.07Å; E693-M697 HydrophobicContact CG-SD 3.7Å; E693-M697 VanDerWaalsContact O-CB 3.3Å; E693-M697 WeakPolarHBondContact O-CB 3.47Å; E693-M697 VanDerWaalsContact O-CG 3.22Å; E693-M697 WeakPolarHBondContact O-CG 3.44Å; E693-M697 PolarHBondContact O-N 2.9Å; I694-M697 PolarHBondContact O-N 3.25Å; M697-E701 WeakPolarHBondContact O-CA 3.18Å; M697-E701 WeakPolarHBondContact O-CB 3.46Å; M697-E701 PolarHBondContact O-N 3.17Å; M697-L717 HydrophobicContact CE-CD2 4.43Å
698	A	80.9	Confident	77.2	Confident	10 Å²	10	56.1 Å²	56.1	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-74.2	-50.9	175.2	0	0	0	0	0	111.4	I694 P695 Y696 H700 E701 T789 F792	I694-A698 PolarHBondContact O-N 3.27Å; P695-A698 PolarHBondContact O-N 3.43Å; Y696-A698 VanDerWaalsContact C-N 3.32Å; Y696-A698 PolarHBondContact O-N 3.18Å; A698-H700 VanDerWaalsContact C-N 3.33Å; A698-H700 PolarHBondContact O-N 3.1Å; A698-E701 PolarHBondContact O-N 2.87Å; A698-T789 HydrophobicContact CB-CG2 3.99Å; A698-F792 HydrophobicContact CB-CB 3.87Å; A698-F792 HydrophobicContact CB-CD2 4.31Å
699	A	78.7	Confident	76.5	Confident	40 Å²	40	59.9 Å²	59.9	33%	0.331	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-41.3	177.7	0	0	0	0	0	112.7	P695 F792	P695-A699 WeakPolarHBondContact O-CB 3.42Å; P695-A699 PolarHBondContact O-N 3.46Å; A699-F792 HydrophobicContact CB-CD1 3.89Å; A699-F792 HydrophobicContact CB-CD2 3.96Å; A699-F792 HydrophobicContact CB-CE1 3.89Å; A699-F792 HydrophobicContact CB-CE2 3.96Å; A699-F792 HydrophobicContact CB-CG 3.94Å; A699-F792 HydrophobicContact CB-CZ 3.93Å
700	H	75.8	Confident	75.9	Confident	66 Å²	66	59.8 Å²	59.8	31%	0.306	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	25.7	-176	-60.6	-82.9	0	0	0	113.6	Y696 A698 F702 D703	Y696-H700 AromaticContact CD2-CD2 3.37Å; Y696-H700 WeakPolarHBondContact CD2-CD2 3.35Å; Y696-H700 AromaticContact CD2-NE2 3.82Å; Y696-H700 AromaticContact CE2-CD2 3.14Å; Y696-H700 WeakPolarHBondContact CE2-CD2 3.36Å; Y696-H700 AromaticContact CE2-CG 3.92Å; Y696-H700 AromaticContact CE2-NE2 3.42Å; Y696-H700 WeakPolarHBondContact CE2-NE2 3.28Å; Y696-H700 AromaticContact CZ-CD2 3.77Å; Y696-H700 WeakPolarHBondContact O-CB 3.37Å; Y696-H700 PolarHBondContact O-CD2 3.04Å; Y696-H700 PolarHBondContact O-N 2.96Å; A698-H700 VanDerWaalsContact C-N 3.33Å; A698-H700 PolarHBondContact O-N 3.1Å; H700-F702 PolarHBondContact O-N 3.35Å; H700-D703 HydrophobicContact CB-CB 4.3Å; H700-D703 IonicContact CE1-OD2 2.71Å; H700-D703 IonicContact CG-OD2 2.73Å; H700-D703 IonicContact ND1-OD2 2.66Å; H700-D703 PolarHBondContact ND1-OD2 3.34Å; H700-D703 PolarHBondContact O-N 3.22Å
701	E	66.6	Low	75.6	Confident	70 Å²	70	68 Å²	68	33%	0.327	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.1	179.7	-179.1	132.9	-118.3	0	0	111.8	M697 A698 R706 K744	M697-E701 WeakPolarHBondContact O-CA 3.18Å; M697-E701 WeakPolarHBondContact O-CB 3.46Å; M697-E701 PolarHBondContact O-N 3.17Å; A698-E701 PolarHBondContact O-N 2.87Å; E701-R706 PolarHBondContact O-NH2 2.92Å; E701-K744 IonicContact OE1-NZ 2.66Å; E701-K744 PolarHBondContact OE1-NZ 2.93Å; E701-K744 WeakPolarHBondContact OE2-CE 3.21Å; E701-K744 IonicContact OE2-NZ 3.34Å; E701-K744 PolarHBondContact OE2-NZ 3.44Å
702	F	59.5	Low	75.4	Confident	119 Å²	119	70 Å²	70	52%	0.522	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-6	-177.8	-58.9	-70.9	0	0	0	115.5	H700 N853 Q857	H700-F702 PolarHBondContact O-N 3.35Å; F702-N853 HydrophobicContact CB-CB 4.4Å; F702-N853 HydrophobicContact CD1-CB 4.35Å; F702-Q857 WeakPolarHBondContact O-CG 3.42Å; F702-Q857 PolarHBondContact O-NE2 3.14Å
703	D	62.3	Low	75.2	Confident	71 Å²	71	68 Å²	68	38%	0.38	31%	0.312	S	S	.	.			trans	-74.7	142.9	179	-84.2	-16.1	0	0	0	112.2	H700	H700-D703 HydrophobicContact CB-CB 4.3Å; H700-D703 IonicContact CE1-OD2 2.71Å; H700-D703 IonicContact CG-OD2 2.73Å; H700-D703 IonicContact ND1-OD2 2.66Å; H700-D703 PolarHBondContact ND1-OD2 3.34Å; H700-D703 PolarHBondContact O-N 3.22Å
704	A	51.7	Low	75	Confident	35 Å²	35	69.6 Å²	69.6	29%	0.289	32%	0.319	S	S	.	.	S	Bend	trans	-76.1	-27.6	174.6	0	0	0	0	0	111.9	R706 Q857 E860 K861	A704-R706 PolarHBondContact O-N 3.38Å; A704-Q857 HydrophobicContact CB-CB 4.13Å; A704-Q857 HydrophobicContact CB-CG 4.13Å; A704-E860 HydrophobicContact CB-CB 4.23Å; A704-E860 WeakPolarHBondContact CB-OE2 3.25Å; A704-E860 PolarHBondContact N-OE2 3.34Å; A704-K861 HydrophobicContact CB-CG 4.39Å
705	R	56	Low	75	Confident	131 Å²	131	73.6 Å²	73.6	49%	0.494	34%	0.337	S	S	.	.	S	Bend	trans	-91.5	57.6	179.9	-65.5	-173.3	-179.9	-131.7	-1.4	113.6	R707 E860	R705-R707 PolarHBondContact O-N 3.04Å; R705-E860 WeakPolarHBondContact CD-OE1 3.39Å; R705-E860 PolarHBondContact N-OE2 3.07Å; R705-E860 IonicContact NE-OE1 2.64Å; R705-E860 PolarHBondContact NE-OE1 3.33Å
706	R	63.3	Low	75	Confident	160 Å²	160	74.6 Å²	74.6	60%	0.604	34%	0.342	S	S	*	.			trans	-57.2	96.4	175.1	-67	-176	175.7	-168.5	-6	112.6	E701 A704 M708	E701-R706 PolarHBondContact O-NH2 2.92Å; A704-R706 PolarHBondContact O-N 3.38Å; R706-M708 PolarHBondContact O-N 3.01Å
707	R	67.5	Low	75	Confident	185 Å²	185	73 Å²	73	70%	0.698	34%	0.337	S	S	*	.			trans	-82.8	92.5	176.2	-61.6	-176.4	-174.7	-174.3	3.6	110.3	Y696 R705 I709	Y696-R707 HydrophobicContact CE1-CB 4.34Å; Y696-R707 VanDerWaalsContact CE1-O 3.24Å; Y696-R707 WeakPolarHBondContact CE1-O 3.44Å; R705-R707 PolarHBondContact O-N 3.04Å; R707-I709 PolarHBondContact O-N 3.26Å
708	M	69.8	Low	75.3	Confident	101 Å²	101	75.7 Å²	75.7	50%	0.498	34%	0.344	S	S	.	.			trans	-61.3	119.8	173.5	-59.9	171.5	-77.7	0	0	110.4	R706	R706-M708 PolarHBondContact O-N 3.01Å
709	I	76.5	Confident	75.7	Confident	78 Å²	78	78 Å²	78	40%	0.4	36%	0.357	S	S	.	.	S	Bend	trans	-74.3	-51.1	177.5	-55.4	172.7	0	0	0	109.1	E693 Y696 R707	E693-I709 WeakPolarHBondContact OE1-CB 3.34Å; E693-I709 WeakPolarHBondContact OE1-CG1 3.25Å; E693-I709 PolarHBondContact OE1-N 2.73Å; E693-I709 PolarHBondContact OE2-N 3.39Å; Y696-I709 HydrophobicContact CD1-CD1 4.21Å; Y696-I709 HydrophobicContact CD1-CG1 4.44Å; Y696-I709 HydrophobicContact CG-CD1 4.2Å; R707-I709 PolarHBondContact O-N 3.26Å
710	S	79.5	Confident	76	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	34%	0.343	C	S	.	.			trans	-114.4	114.2	176.2	177.5	0	0	0	0	112.3	Y685 E693 Q712 F713 H714	Y685-S710 PolarHBondContact OH-OG 2.94Å; E693-S710 PolarHBondContact OE2-N 2.97Å; S710-Q712 VanDerWaalsContact C-N 3.32Å; S710-Q712 PolarHBondContact OG-N 3.09Å; S710-F713 WeakPolarHBondContact OG-CB 3.24Å; S710-F713 PolarHBondContact OG-N 3.24Å; S710-H714 WeakPolarHBondContact O-CB 3.48Å; S710-H714 PolarHBondContact O-N 3.47Å; S710-H714 PolarHBondContact O-ND1 2.88Å; S710-H714 VanDerWaalsContact O-ND1 3.09Å
711	K	84.9	Confident	76.4	Confident	172 Å²	172	79.7 Å²	79.7	75%	0.748	36%	0.359	S	S	*	.	H	α-helix	trans	-65	-34.4	170	-66.3	177.5	-178.2	172	0	112.6	H715	K711-H715 WeakPolarHBondContact O-CB 3.37Å; K711-H715 PolarHBondContact O-N 3.14Å
712	Q	86.8	Confident	77.4	Confident	47 Å²	47	85.4 Å²	85.4	22%	0.22	38%	0.378	C	S	.	.	H	α-helix	trans	-73.9	-42.2	-177.3	178.7	61.7	7.6	0	0	111.5	Y685 S710 H715 Q716	Y685-Q712 HydrophobicContact CE1-CB 4.1Å; Y685-Q712 HydrophobicContact CE1-CG 4.16Å; S710-Q712 VanDerWaalsContact C-N 3.32Å; S710-Q712 PolarHBondContact OG-N 3.09Å; Q712-H715 PolarHBondContact O-N 3.18Å; Q712-Q716 PolarHBondContact O-N 3.29Å
713	F	86.9	Confident	78.7	Confident	4 Å²	4	84 Å²	84	2%	0.018	37%	0.373	C	S	.	.	H	α-helix	trans	-61.7	-47.3	172.7	-178.8	-103.3	0	0	0	111	L686 A689 M690 E693 S710 H715 Q716 L717	L686-F713 HydrophobicContact CD2-CD2 4.16Å; A689-F713 HydrophobicContact CB-CB 3.83Å; A689-F713 HydrophobicContact CB-CD2 3.99Å; A689-F713 HydrophobicContact CB-CG 3.93Å; M690-F713 HydrophobicContact CB-CE2 3.89Å; M690-F713 HydrophobicContact CB-CZ 4.09Å; M690-F713 HydrophobicContact CG-CE2 4.4Å; M690-F713 HydrophobicContact CG-CZ 4.3Å; E693-F713 HydrophobicContact CB-CD1 4.16Å; E693-F713 HydrophobicContact CB-CE1 4.15Å; E693-F713 HydrophobicContact CG-CD1 4.08Å; E693-F713 HydrophobicContact CG-CE1 4.25Å; S710-F713 WeakPolarHBondContact OG-CB 3.24Å; S710-F713 PolarHBondContact OG-N 3.24Å; F713-H715 VanDerWaalsContact C-N 3.29Å; F713-H715 PolarHBondContact O-N 3.16Å; F713-Q716 PolarHBondContact O-N 2.79Å; F713-Q716 VanDerWaalsContact O-N 3.17Å; F713-L717 WeakPolarHBondContact O-CB 3.48Å; F713-L717 PolarHBondContact O-N 3.17Å
714	H	85.6	Confident	79.8	Confident	35 Å²	35	87.4 Å²	87.4	16%	0.162	40%	0.399	C	S	.	.	H	α-helix	trans	-59.1	-34.8	174.2	-89.6	88.7	0	0	0	113.9	E693 S710 R718	E693-H714 IonicContact OE1-CE1 2.71Å; E693-H714 PolarHBondContact OE1-CE1 3.06Å; E693-H714 IonicContact OE1-ND1 2.71Å; E693-H714 IonicContact OE2-CE1 3Å; E693-H714 PolarHBondContact OE2-CE1 3.36Å; E693-H714 IonicContact OE2-ND1 3.76Å; E693-H714 PolarHBondContact OE2-ND1 3.08Å; S710-H714 WeakPolarHBondContact O-CB 3.48Å; S710-H714 PolarHBondContact O-N 3.47Å; S710-H714 PolarHBondContact O-ND1 2.88Å; S710-H714 VanDerWaalsContact O-ND1 3.09Å; H714-R718 WeakPolarHBondContact O-CB 3.41Å; H714-R718 PolarHBondContact O-N 2.81Å
715	H	88.3	Confident	81.4	Confident	94 Å²	94	93.3 Å²	93.3	44%	0.435	43%	0.425	S	S	.	.	H	α-helix	trans	-68.5	-47.7	173.5	178.8	59.4	0	0	0	111.3	K711 Q712 F713 L717 R718 V719	K711-H715 WeakPolarHBondContact O-CB 3.37Å; K711-H715 PolarHBondContact O-N 3.14Å; Q712-H715 PolarHBondContact O-N 3.18Å; F713-H715 VanDerWaalsContact C-N 3.29Å; F713-H715 PolarHBondContact O-N 3.16Å; H715-L717 PolarHBondContact O-N 2.93Å; H715-R718 PolarHBondContact O-N 3.31Å; H715-V719 WeakPolarHBondContact O-CG2 3.47Å; H715-V719 PolarHBondContact O-N 2.97Å
716	Q	86.5	Confident	82.7	Confident	27 Å²	27	91.2 Å²	91.2	13%	0.126	42%	0.423	C	S	.	.	H	α-helix	trans	-64.1	-40.6	-179.7	-172.5	58	47.8	0	0	112.4	Q712 F713 V719 G720 R733 V737	Q712-Q716 PolarHBondContact O-N 3.29Å; F713-Q716 PolarHBondContact O-N 2.79Å; F713-Q716 VanDerWaalsContact O-N 3.17Å; Q716-V719 PolarHBondContact O-N 2.95Å; Q716-G720 PolarHBondContact O-N 3.48Å; Q716-R733 HydrophobicContact CG-CB 4.34Å; Q716-V737 HydrophobicContact CG-CG2 4.06Å
717	L	86.4	Confident	83.6	Confident	28 Å²	28	85.7 Å²	85.7	15%	0.147	42%	0.416	C	S	.	.	H	α-helix	trans	-59.9	-48.7	173.6	-178.5	62	0	0	0	111.1	M697 F713 H715 V719 G720 E721 V737	M697-L717 HydrophobicContact CE-CD2 4.43Å; F713-L717 WeakPolarHBondContact O-CB 3.48Å; F713-L717 PolarHBondContact O-N 3.17Å; H715-L717 PolarHBondContact O-N 2.93Å; L717-V719 VanDerWaalsContact C-N 3.29Å; L717-V719 PolarHBondContact O-N 2.78Å; L717-G720 CarbonylContact O-C 3.56Å; L717-G720 PolarHBondContact O-N 3.05Å; L717-E721 WeakPolarHBondContact O-CB 3.43Å; L717-E721 PolarHBondContact O-N 3.08Å; L717-V737 HydrophobicContact CD1-CG1 4.2Å
718	R	88.2	Confident	84.5	Confident	116 Å²	116	82.4 Å²	82.4	44%	0.438	42%	0.419	S	S	.	.	H	α-helix	trans	-62.2	-33.5	177.3	-170	-171	-55.3	146	8.7	112.8	H714 H715 R722	H714-R718 WeakPolarHBondContact O-CB 3.41Å; H714-R718 PolarHBondContact O-N 2.81Å; H715-R718 PolarHBondContact O-N 3.31Å; R718-R722 WeakPolarHBondContact O-CB 3.15Å; R718-R722 WeakPolarHBondContact O-CD 3.43Å; R718-R722 WeakPolarHBondContact O-CG 3.29Å; R718-R722 PolarHBondContact O-N 2.58Å; R718-R722 VanDerWaalsContact O-N 3.08Å
719	V	88.9	Confident	85.2	Confident	58 Å²	58	78.8 Å²	78.8	35%	0.352	40%	0.403	S	S	.	.	H	α-helix	trans	-68.5	-47.6	174.8	169.6	0	0	0	0	110.6	H715 Q716 L717 E721 R722 Q723	H715-V719 WeakPolarHBondContact O-CG2 3.47Å; H715-V719 PolarHBondContact O-N 2.97Å; Q716-V719 PolarHBondContact O-N 2.95Å; L717-V719 VanDerWaalsContact C-N 3.29Å; L717-V719 PolarHBondContact O-N 2.78Å; V719-E721 PolarHBondContact O-N 3.04Å; V719-R722 PolarHBondContact O-N 3.01Å; V719-Q723 PolarHBondContact O-N 2.83Å
720	G	84.7	Confident	85.5	Confident	5 Å²	5	81.4 Å²	81.4	5%	0.052	41%	0.413	C	S	.	.	H	α-helix	trans	-75.4	4.1	175.8	0	0	0	0	0	115.8	Q716 L717 K741	Q716-G720 PolarHBondContact O-N 3.48Å; L717-G720 CarbonylContact O-C 3.56Å; L717-G720 PolarHBondContact O-N 3.05Å; G720-K741 PolarHBondContact O-NZ 3.27Å
721	E	84	Confident	85.9	Confident	137 Å²	137	83.3 Å²	83.3	64%	0.64	43%	0.427	S	S	*	.	H	α-helix	trans	-110	-21.9	171	-173.5	172.7	-121.8	0	0	111.7	L717 V719	L717-E721 WeakPolarHBondContact O-CB 3.43Å; L717-E721 PolarHBondContact O-N 3.08Å; V719-E721 PolarHBondContact O-N 3.04Å
722	R	88.7	Confident	85.9	Confident	191 Å²	191	75.4 Å²	75.4	72%	0.721	39%	0.392	S	S	*	.	H	α-helix	trans	-80.2	-15.6	172.8	-80.4	172.9	169.7	-155.6	-6.6	114.2	R718 V719 P724	R718-R722 WeakPolarHBondContact O-CB 3.15Å; R718-R722 WeakPolarHBondContact O-CD 3.43Å; R718-R722 WeakPolarHBondContact O-CG 3.29Å; R718-R722 PolarHBondContact O-N 2.58Å; R718-R722 VanDerWaalsContact O-N 3.08Å; V719-R722 PolarHBondContact O-N 3.01Å; R722-P724 VanDerWaalsContact O-CD 3.27Å; R722-P724 WeakPolarHBondContact O-CD 3.47Å
723	Q	85.9	Confident	86	Confident	89 Å²	89	77.8 Å²	77.8	42%	0.416	40%	0.399	S	S	.	.			trans	-69.9	115.5	175.1	-74.4	173	-43.1	0	0	109.6	V719 L725	V719-Q723 PolarHBondContact O-N 2.83Å; Q723-L725 VanDerWaalsContact C-N 3.28Å; Q723-L725 PolarHBondContact O-N 3.39Å
724	P	85.1	Confident	86.1	Confident	143 Å²	143	80.6 Å²	80.6	93%	0.929	41%	0.412	S	S	*	.	S	Bend	trans	-68	-28.5	-175.9	-21.2	34.3	0	0	0	113.4	R722	R722-P724 VanDerWaalsContact O-CD 3.27Å; R722-P724 WeakPolarHBondContact O-CD 3.47Å
725	L	86.6	Confident	86.4	Confident	159 Å²	159	79.1 Å²	79.1	83%	0.832	41%	0.406	S	S	*	.	S	Bend	trans	-116.5	110.7	173.6	-175.4	69.4	0	0	0	108.4	Q723	Q723-L725 VanDerWaalsContact C-N 3.28Å; Q723-L725 PolarHBondContact O-N 3.39Å
726	L	81.9	Confident	86.5	Confident	87 Å²	87	74.7 Å²	74.7	46%	0.455	39%	0.385	S	S	.	.			trans	-99.3	105.9	172.9	-177.8	62.1	0	0	0	108.8
727	G	83.4	Confident	86.6	Confident	44 Å²	44	73.8 Å²	73.8	45%	0.454	38%	0.382	S	S	.	.			trans	-72.6	177.1	172	0	0	0	0	0	112.9
728	P	85.2	Confident	86.7	Confident	116 Å²	116	73.3 Å²	73.3	75%	0.753	38%	0.381	S	S	*	.	S	Bend	trans	-58.3	140.4	165.2	28.4	-34.4	0	0	0	109.5
729	P	84.2	Confident	86.9	Confident	25 Å²	25	67.8 Å²	67.8	16%	0.162	36%	0.361	C	S	.	.			trans	-68.1	137.1	-172.5	28.1	-35.5	0	0	0	111.8	E734 H735 A738 F754	P729-E734 HydrophobicContact CB-CB 3.69Å; P729-H735 VanDerWaalsContact C-CE1 3.46Å; P729-H735 HydrophobicContact CB-CB 4.48Å; P729-H735 PolarHBondContact O-CE1 3.02Å; P729-H735 PolarHBondContact O-NE2 3.39Å; P729-A738 HydrophobicContact CG-CB 4.21Å; P729-F754 HydrophobicContact CG-CD1 3.86Å; P729-F754 HydrophobicContact CG-CE1 4.04Å
730	E	83.7	Confident	86.9	Confident	133 Å²	133	65.3 Å²	65.3	62%	0.621	35%	0.346	S	S	*	.			trans	-119.3	-43.8	176	-68.2	-121.1	99.9	0	0	110.9	E734 H735 K759	E730-E734 PolarHBondContact N-OE2 2.98Å; E730-H735 PolarHBondContact O-CE1 3.4Å; E730-K759 IonicContact OE1-NZ 2.73Å; E730-K759 PolarHBondContact OE1-NZ 3.28Å
731	S	87.9	Confident	87.1	Confident	40 Å²	40	68.3 Å²	68.3	28%	0.28	36%	0.358	S	S	.	.	S	Bend	trans	-74.5	145.8	175.1	-173.8	0	0	0	0	111.7	R733 E734 H735	S731-R733 PolarHBondContact O-N 2.76Å; S731-R733 VanDerWaalsContact O-N 3.11Å; S731-E734 WeakPolarHBondContact CB-OE1 3.46Å; S731-E734 WeakPolarHBondContact CB-OE2 3.4Å; S731-E734 PolarHBondContact N-OE2 3.27Å; S731-E734 WeakPolarHBondContact O-CB 3.49Å; S731-E734 PolarHBondContact O-N 3.41Å; S731-H735 PolarHBondContact O-N 3.38Å; S731-H735 PolarHBondContact O-ND1 2.83Å
732	M	85.1	Confident	87.3	Confident	6 Å²	6	62 Å²	62	3%	0.03	33%	0.328	C	S	.	.	H	α-helix	trans	-53.5	-30.7	172.5	51.6	154.7	-73.1	0	0	113.2	E679 E682 C683 V736 M760	E679-M732 HydrophobicContact CB-SD 3.51Å; E679-M732 VanDerWaalsContact CB-SD 3.51Å; E679-M732 HydrophobicContact CG-SD 3.88Å; E679-M732 WeakPolarHBondContact O-CE 3.48Å; E682-M732 HydrophobicContact CB-CE 3.86Å; E682-M732 HydrophobicContact CG-CE 3.8Å; C683-M732 HydrophobicContact CB-CE 3.93Å; M732-V736 WeakPolarHBondContact O-CG2 3.36Å; M732-V736 PolarHBondContact O-N 3.37Å; M732-M760 HydrophobicContact CB-SD 4.15Å
733	R	89	Confident	87.4	Confident	96 Å²	96	52.9 Å²	52.9	36%	0.362	29%	0.294	S	S	.	.	H	α-helix	trans	-74.3	-36.6	177.4	-61.8	-175.5	-176.6	169	-0.4	112.2	E682 L686 Q716 S731 V737	E682-R733 VanDerWaalsContact CD-NE 3.34Å; E682-R733 IonicContact OE1-CZ 3.59Å; E682-R733 IonicContact OE1-NE 2.96Å; E682-R733 PolarHBondContact OE1-NE 2.98Å; E682-R733 IonicContact OE1-NH2 2.69Å; E682-R733 PolarHBondContact OE1-NH2 3.07Å; E682-R733 IonicContact OE2-CZ 2.73Å; E682-R733 IonicContact OE2-NE 3.86Å; E682-R733 PolarHBondContact OE2-NE 3.15Å; E682-R733 IonicContact OE2-NH2 3.25Å; E682-R733 PolarHBondContact OE2-NH2 2.57Å; L686-R733 HydrophobicContact CD1-CG 4.14Å; Q716-R733 HydrophobicContact CG-CB 4.34Å; S731-R733 PolarHBondContact O-N 2.76Å; S731-R733 VanDerWaalsContact O-N 3.11Å; R733-V737 WeakPolarHBondContact O-CG2 3.3Å; R733-V737 PolarHBondContact O-N 3.32Å
734	E	89.8	Confident	87.4	Confident	63 Å²	63	52.2 Å²	52.2	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-69.1	-39.8	175.8	-69.4	143.6	-150.4	0	0	110.8	P729 E730 S731 V736 V737 A738	P729-E734 HydrophobicContact CB-CB 3.69Å; E730-E734 PolarHBondContact N-OE2 2.98Å; S731-E734 WeakPolarHBondContact CB-OE1 3.46Å; S731-E734 WeakPolarHBondContact CB-OE2 3.4Å; S731-E734 PolarHBondContact N-OE2 3.27Å; S731-E734 WeakPolarHBondContact O-CB 3.49Å; S731-E734 PolarHBondContact O-N 3.41Å; E734-V736 PolarHBondContact O-N 2.93Å; E734-V737 CarbonylContact O-C 3.57Å; E734-V737 PolarHBondContact O-N 3.34Å; E734-V737 VanDerWaalsContact O-N 3.15Å; E734-A738 WeakPolarHBondContact O-CB 3.39Å; E734-A738 PolarHBondContact O-N 3.15Å
735	H	90.3	Very high	87.5	Confident	4 Å²	4	51 Å²	51	2%	0.019	27%	0.273	C	S	.	.	H	α-helix	trans	-57.2	-46.7	174.9	-74.8	81.4	0	0	0	111.7	P729 E730 S731 V737 A738 A739 F754 N757 M760	P729-H735 VanDerWaalsContact C-CE1 3.46Å; P729-H735 HydrophobicContact CB-CB 4.48Å; P729-H735 PolarHBondContact O-CE1 3.02Å; P729-H735 PolarHBondContact O-NE2 3.39Å; E730-H735 PolarHBondContact O-CE1 3.4Å; S731-H735 PolarHBondContact O-N 3.38Å; S731-H735 PolarHBondContact O-ND1 2.83Å; H735-V737 PolarHBondContact O-N 3.36Å; H735-A738 PolarHBondContact O-N 2.97Å; H735-A739 VanDerWaalsContact O-CB 3.26Å; H735-A739 WeakPolarHBondContact O-CB 3.4Å; H735-A739 PolarHBondContact O-N 3.47Å; H735-F754 PolarHBondContact CD2-O 2.75Å; H735-F754 VanDerWaalsContact CD2-O 3.31Å; H735-N757 PolarHBondContact CD2-ND2 3.1Å; H735-N757 VanDerWaalsContact CD2-ND2 3.28Å; H735-N757 PolarHBondContact NE2-ND2 3.36Å; H735-M760 HydrophobicContact CB-CE 3.75Å; H735-M760 HydrophobicContact CB-SD 4.11Å
736	V	90.4	Very high	87.4	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-70.4	-29.2	177.3	-178.4	0	0	0	0	112.4	L686 V687 M690 M732 E734 S740	L686-V736 HydrophobicContact CB-CG1 4.03Å; V687-V736 HydrophobicContact CG2-CG1 4.42Å; V687-V736 HydrophobicContact CG2-CG2 3.84Å; M690-V736 HydrophobicContact CB-CG1 4.34Å; M690-V736 HydrophobicContact SD-CG1 4.12Å; M732-V736 WeakPolarHBondContact O-CG2 3.36Å; M732-V736 PolarHBondContact O-N 3.37Å; E734-V736 PolarHBondContact O-N 2.93Å; V736-S740 WeakPolarHBondContact O-CB 3.25Å; V736-S740 PolarHBondContact O-N 3.04Å; V736-S740 PolarHBondContact O-OG 2.78Å
737	V	90.2	Very high	87.7	Confident	8 Å²	8	42.2 Å²	42.2	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-77.3	-29.1	173.9	170.1	0	0	0	0	112.9	Q716 L717 R733 E734 H735 S740 K741	Q716-V737 HydrophobicContact CG-CG2 4.06Å; L717-V737 HydrophobicContact CD1-CG1 4.2Å; R733-V737 WeakPolarHBondContact O-CG2 3.3Å; R733-V737 PolarHBondContact O-N 3.32Å; E734-V737 CarbonylContact O-C 3.57Å; E734-V737 PolarHBondContact O-N 3.34Å; E734-V737 VanDerWaalsContact O-N 3.15Å; H735-V737 PolarHBondContact O-N 3.36Å; V737-S740 WeakPolarHBondContact CA-OG 3.16Å; V737-S740 PolarHBondContact O-OG 2.99Å; V737-K741 WeakPolarHBondContact O-CG 3.37Å; V737-K741 PolarHBondContact O-N 3.09Å
738	A	88.5	Confident	88.1	Confident	17 Å²	17	40.9 Å²	40.9	14%	0.14	21%	0.21	C	C	.	.	H	α-helix	trans	-72.1	-45.2	170.1	0	0	0	0	0	110.5	P729 E734 H735 S740 K741 A742 F754	P729-A738 HydrophobicContact CG-CB 4.21Å; E734-A738 WeakPolarHBondContact O-CB 3.39Å; E734-A738 PolarHBondContact O-N 3.15Å; H735-A738 PolarHBondContact O-N 2.97Å; A738-S740 VanDerWaalsContact C-N 3.32Å; A738-S740 PolarHBondContact O-N 3.28Å; A738-K741 PolarHBondContact O-N 3.01Å; A738-A742 PolarHBondContact O-N 3.47Å; A738-F754 HydrophobicContact CB-CD1 4.19Å; A738-F754 HydrophobicContact CB-CD2 3.99Å; A738-F754 HydrophobicContact CB-CE1 4.3Å; A738-F754 HydrophobicContact CB-CE2 4.11Å; A738-F754 HydrophobicContact CB-CG 4.04Å; A738-F754 HydrophobicContact CB-CZ 4.27Å
739	A	91	Very high	88.4	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-38.7	174.3	0	0	0	0	0	112.5	M690 H735 A742 M743 F754 I755	M690-A739 HydrophobicContact SD-CB 4.08Å; H735-A739 VanDerWaalsContact O-CB 3.26Å; H735-A739 WeakPolarHBondContact O-CB 3.4Å; H735-A739 PolarHBondContact O-N 3.47Å; A739-A742 PolarHBondContact O-N 2.74Å; A739-M743 VanDerWaalsContact O-CB 3.25Å; A739-M743 WeakPolarHBondContact O-CB 3.45Å; A739-M743 PolarHBondContact O-N 3.28Å; A739-F754 HydrophobicContact CB-CB 4.04Å; A739-I755 HydrophobicContact CB-CD1 3.78Å; A739-I755 HydrophobicContact CB-CG1 3.73Å
740	S	90.1	Very high	88.6	Confident	6 Å²	6	42.3 Å²	42.3	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-67.3	-38.6	176.8	67.8	0	0	0	0	113.1	V736 V737 A738 M743 K744	V736-S740 WeakPolarHBondContact O-CB 3.25Å; V736-S740 PolarHBondContact O-N 3.04Å; V736-S740 PolarHBondContact O-OG 2.78Å; V737-S740 WeakPolarHBondContact CA-OG 3.16Å; V737-S740 PolarHBondContact O-OG 2.99Å; A738-S740 VanDerWaalsContact C-N 3.32Å; A738-S740 PolarHBondContact O-N 3.28Å; S740-M743 PolarHBondContact O-N 3.34Å; S740-K744 PolarHBondContact O-N 2.91Å
741	K	88.3	Confident	88.9	Confident	69 Å²	69	36 Å²	36	30%	0.3	17%	0.173	S	C	.	.	H	α-helix	trans	-64.7	-43.7	173.3	-70.2	174.2	-173.9	179.8	0	111.4	G720 V737 A738 K744 M745	G720-K741 PolarHBondContact O-NZ 3.27Å; V737-K741 WeakPolarHBondContact O-CG 3.37Å; V737-K741 PolarHBondContact O-N 3.09Å; A738-K741 PolarHBondContact O-N 3.01Å; K741-K744 PolarHBondContact O-N 2.81Å; K741-M745 PolarHBondContact O-N 2.87Å
742	A	89	Confident	89	Confident	3 Å²	3	36.9 Å²	36.9	3%	0.025	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-47.3	173.7	0	0	0	0	0	112.4	A738 A739 K744 M745 G746 D747 T750 C751 F754	A738-A742 PolarHBondContact O-N 3.47Å; A739-A742 PolarHBondContact O-N 2.74Å; A742-K744 VanDerWaalsContact C-N 3.35Å; A742-K744 PolarHBondContact O-N 3.46Å; A742-M745 WeakPolarHBondContact O-CA 3.34Å; A742-M745 WeakPolarHBondContact O-CB 3.34Å; A742-M745 PolarHBondContact O-N 3.14Å; A742-G746 PolarHBondContact O-N 3.33Å; A742-D747 PolarHBondContact O-N 3.21Å; A742-T750 WeakPolarHBondContact CB-OG1 3.39Å; A742-C751 HydrophobicContact CB-CB 4.14Å; A742-F754 HydrophobicContact CB-CD2 4.48Å; A742-F754 HydrophobicContact CB-CE2 4.45Å
743	M	89.1	Confident	89.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.5	-34.4	-179.7	-173.4	176.2	168.5	0	0	112.8	M690 L691 I694 P695 A739 S740 M745 G746 C751 E785 T789	M690-M743 HydrophobicContact CE-SD 3.9Å; M690-M743 HydrophobicContact CG-SD 4.43Å; L691-M743 HydrophobicContact CD2-CE 4.12Å; L691-M743 HydrophobicContact CD2-SD 4.33Å; I694-M743 HydrophobicContact CB-CE 4.43Å; I694-M743 HydrophobicContact CD1-CB 4Å; I694-M743 HydrophobicContact CD1-CG 4.15Å; I694-M743 HydrophobicContact CD1-SD 3.86Å; I694-M743 HydrophobicContact CG2-CE 4.48Å; I694-M743 HydrophobicContact CG2-CG 4.16Å; P695-M743 HydrophobicContact CG-CE 4.29Å; A739-M743 VanDerWaalsContact O-CB 3.25Å; A739-M743 WeakPolarHBondContact O-CB 3.45Å; A739-M743 PolarHBondContact O-N 3.28Å; S740-M743 PolarHBondContact O-N 3.34Å; M743-M745 PolarHBondContact O-N 3.24Å; M743-G746 PolarHBondContact O-N 3.39Å; M743-C751 HydrophobicContact CB-CB 4.47Å; M743-E785 HydrophobicContact CE-CB 3.45Å; M743-E785 VanDerWaalsContact CE-CB 3.45Å; M743-T789 WeakPolarHBondContact O-CG2 3.41Å
744	K	87.4	Confident	89.2	Confident	75 Å²	75	37.6 Å²	37.6	33%	0.326	19%	0.186	S	C	.	.	H	α-helix	trans	-61.7	-32.5	171.9	-170.2	178.9	179.8	-167.9	0	112.1	I694 E701 S740 K741 A742 G746	I694-K744 HydrophobicContact CG2-CB 4.46Å; E701-K744 IonicContact OE1-NZ 2.66Å; E701-K744 PolarHBondContact OE1-NZ 2.93Å; E701-K744 WeakPolarHBondContact OE2-CE 3.21Å; E701-K744 IonicContact OE2-NZ 3.34Å; E701-K744 PolarHBondContact OE2-NZ 3.44Å; S740-K744 PolarHBondContact O-N 2.91Å; K741-K744 PolarHBondContact O-N 2.81Å; A742-K744 VanDerWaalsContact C-N 3.35Å; A742-K744 PolarHBondContact O-N 3.46Å; K744-G746 PolarHBondContact O-N 2.81Å
745	M	85.8	Confident	89.1	Confident	117 Å²	117	34.6 Å²	34.6	58%	0.576	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-0.5	174.1	-58.8	-175.4	-66.6	0	0	113.3	K741 A742 M743 D747	K741-M745 PolarHBondContact O-N 2.87Å; A742-M745 WeakPolarHBondContact O-CA 3.34Å; A742-M745 WeakPolarHBondContact O-CB 3.34Å; A742-M745 PolarHBondContact O-N 3.14Å; M743-M745 PolarHBondContact O-N 3.24Å; M745-D747 PolarHBondContact O-N 2.74Å
746	G	84.8	Confident	88.9	Confident	5 Å²	5	35.9 Å²	35.9	5%	0.052	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	1.4	-178	0	0	0	0	0	115.1	A742 M743 K744 W748	A742-G746 PolarHBondContact O-N 3.33Å; M743-G746 PolarHBondContact O-N 3.39Å; K744-G746 PolarHBondContact O-N 2.81Å; G746-W748 PolarHBondContact O-N 3.47Å
747	D	89.4	Confident	88.7	Confident	58 Å²	58	37.8 Å²	37.8	31%	0.31	19%	0.189	S	C	.	.			trans	-80.6	102.6	176.7	179.6	11.3	0	0	0	111.1	A742 M745 R749 T750 C751	A742-D747 PolarHBondContact O-N 3.21Å; M745-D747 PolarHBondContact O-N 2.74Å; D747-R749 WeakPolarHBondContact OD1-CB 3.5Å; D747-R749 PolarHBondContact OD1-N 2.68Å; D747-T750 PolarHBondContact OD1-N 2.57Å; D747-T750 VanDerWaalsContact OD2-CB 3.3Å; D747-T750 WeakPolarHBondContact OD2-CB 3.49Å; D747-T750 WeakPolarHBondContact OD2-CG2 3.42Å; D747-T750 PolarHBondContact OD2-N 3.07Å; D747-T750 PolarHBondContact OD2-OG1 2.93Å; D747-C751 VanDerWaalsContact O-CB 3.31Å; D747-C751 WeakPolarHBondContact O-CB 3.35Å; D747-C751 PolarHBondContact O-N 2.99Å
748	W	91.1	Very high	88.3	Confident	15 Å²	15	45.6 Å²	45.6	6%	0.057	23%	0.225	C	C	.	.	H	α-helix	trans	-74.5	-25.3	177.2	79.4	-96.9	0	0	0	113.1	G746 H752 I782 Q783 S786 M809 F810 E811	G746-W748 PolarHBondContact O-N 3.47Å; W748-H752 HydrophobicContact CE3-CB 4.32Å; W748-H752 WeakPolarHBondContact O-CB 3.17Å; W748-H752 PolarHBondContact O-N 2.77Å; W748-I782 HydrophobicContact CB-CG2 4.36Å; W748-Q783 HydrophobicContact CD2-CG 4.02Å; W748-Q783 HydrophobicContact CE3-CG 3.85Å; W748-Q783 HydrophobicContact CG-CG 4.49Å; W748-Q783 HydrophobicContact CZ3-CG 4.17Å; W748-S786 VanDerWaalsContact CB-OG 3.27Å; W748-S786 WeakPolarHBondContact CB-OG 3.46Å; W748-M809 PolarHBondContact NE1-O 3.25Å; W748-F810 AromaticContact CD1-CD1 3.57Å; W748-F810 AromaticContact CD1-CE1 3.97Å; W748-F810 HydrophobicContact CG-CD1 4.26Å; W748-E811 WeakPolarHBondContact CH2-OE2 3.45Å; W748-E811 HydrophobicContact CZ2-CB 4.17Å; W748-E811 HydrophobicContact CZ2-CG 3.98Å
749	R	91.4	Very high	88.1	Confident	120 Å²	120	50.3 Å²	50.3	45%	0.453	24%	0.242	S	C	.	.	H	α-helix	trans	-75.6	-45	-174.4	-62	-174.2	-172.3	-89	-0.9	111.3	D747 S753 E811	D747-R749 WeakPolarHBondContact OD1-CB 3.5Å; D747-R749 PolarHBondContact OD1-N 2.68Å; R749-S753 PolarHBondContact O-N 3.23Å; R749-E811 IonicContact CZ-OE1 3.48Å; R749-E811 IonicContact NH1-OE1 3.86Å; R749-E811 PolarHBondContact NH1-OE1 3.02Å; R749-E811 IonicContact NH2-OE1 3.4Å; R749-E811 PolarHBondContact NH2-OE1 3.44Å
750	T	89.4	Confident	87.7	Confident	51 Å²	51	50.5 Å²	50.5	31%	0.313	24%	0.243	S	C	.	.	H	α-helix	trans	-69.3	-40.2	172.5	53.4	0	0	0	0	111.7	A742 D747 H752 S753 F754	A742-T750 WeakPolarHBondContact CB-OG1 3.39Å; D747-T750 PolarHBondContact OD1-N 2.57Å; D747-T750 VanDerWaalsContact OD2-CB 3.3Å; D747-T750 WeakPolarHBondContact OD2-CB 3.49Å; D747-T750 WeakPolarHBondContact OD2-CG2 3.42Å; D747-T750 PolarHBondContact OD2-N 3.07Å; D747-T750 PolarHBondContact OD2-OG1 2.93Å; T750-H752 VanDerWaalsContact C-N 3.35Å; T750-H752 PolarHBondContact O-N 2.83Å; T750-S753 WeakPolarHBondContact CA-OG 3.32Å; T750-S753 PolarHBondContact O-N 2.79Å; T750-S753 VanDerWaalsContact O-N 3.08Å; T750-S753 PolarHBondContact O-OG 2.98Å; T750-F754 WeakPolarHBondContact O-CD2 3.45Å; T750-F754 PolarHBondContact O-N 3.41Å
751	C	89	Confident	87.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.3	-48.6	172.3	-177.2	0	0	0	0	112	A742 M743 D747 S753 F754 I755 I782	A742-C751 HydrophobicContact CB-CB 4.14Å; M743-C751 HydrophobicContact CB-CB 4.47Å; D747-C751 VanDerWaalsContact O-CB 3.31Å; D747-C751 WeakPolarHBondContact O-CB 3.35Å; D747-C751 PolarHBondContact O-N 2.99Å; C751-S753 PolarHBondContact O-N 2.88Å; C751-F754 PolarHBondContact O-N 3.46Å; C751-I755 WeakPolarHBondContact O-CG1 3.33Å; C751-I755 PolarHBondContact O-N 2.96Å; C751-I755 VanDerWaalsContact O-N 3.15Å; C751-I782 HydrophobicContact CB-CG2 4.24Å
752	H	89.8	Confident	87.2	Confident	60 Å²	60	52.4 Å²	52.4	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-57.4	-46.9	172.5	168.4	-118.7	0	0	0	112.1	W748 T750 F754 I755 I756	W748-H752 HydrophobicContact CE3-CB 4.32Å; W748-H752 WeakPolarHBondContact O-CB 3.17Å; W748-H752 PolarHBondContact O-N 2.77Å; T750-H752 VanDerWaalsContact C-N 3.35Å; T750-H752 PolarHBondContact O-N 2.83Å; H752-F754 VanDerWaalsContact C-N 3.28Å; H752-F754 PolarHBondContact O-N 3.15Å; H752-I755 PolarHBondContact O-N 3.31Å; H752-I756 PolarHBondContact O-N 2.98Å
753	S	89.8	Confident	87	Confident	58 Å²	58	56 Å²	56	41%	0.406	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-29.7	-179.8	77.3	0	0	0	0	114.1	R749 T750 C751	R749-S753 PolarHBondContact O-N 3.23Å; T750-S753 WeakPolarHBondContact CA-OG 3.32Å; T750-S753 PolarHBondContact O-N 2.79Å; T750-S753 VanDerWaalsContact O-N 3.08Å; T750-S753 PolarHBondContact O-OG 2.98Å; C751-S753 PolarHBondContact O-N 2.88Å
754	F	89.3	Confident	87	Confident	59 Å²	59	56 Å²	56	26%	0.259	28%	0.278	S	S	.	.	H	α-helix	trans	-79.3	-24.4	173.3	-66.4	-53.2	0	0	0	113.1	P729 H735 A738 A739 A742 T750 C751 H752 M760	P729-F754 HydrophobicContact CG-CD1 3.86Å; P729-F754 HydrophobicContact CG-CE1 4.04Å; H735-F754 PolarHBondContact CD2-O 2.75Å; H735-F754 VanDerWaalsContact CD2-O 3.31Å; A738-F754 HydrophobicContact CB-CD1 4.19Å; A738-F754 HydrophobicContact CB-CD2 3.99Å; A738-F754 HydrophobicContact CB-CE1 4.3Å; A738-F754 HydrophobicContact CB-CE2 4.11Å; A738-F754 HydrophobicContact CB-CG 4.04Å; A738-F754 HydrophobicContact CB-CZ 4.27Å; A739-F754 HydrophobicContact CB-CB 4.04Å; A742-F754 HydrophobicContact CB-CD2 4.48Å; A742-F754 HydrophobicContact CB-CE2 4.45Å; T750-F754 WeakPolarHBondContact O-CD2 3.45Å; T750-F754 PolarHBondContact O-N 3.41Å; C751-F754 PolarHBondContact O-N 3.46Å; H752-F754 VanDerWaalsContact C-N 3.28Å; H752-F754 PolarHBondContact O-N 3.15Å; F754-M760 WeakPolarHBondContact O-CE 3.37Å
755	I	86.9	Confident	87	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-91.6	-36.2	-178	-69.7	173.3	0	0	0	112.1	M690 A739 C751 H752 M760 W765 L778 I782	M690-I755 HydrophobicContact CE-CD1 3.69Å; M690-I755 HydrophobicContact SD-CD1 4.1Å; A739-I755 HydrophobicContact CB-CD1 3.78Å; A739-I755 HydrophobicContact CB-CG1 3.73Å; C751-I755 WeakPolarHBondContact O-CG1 3.33Å; C751-I755 PolarHBondContact O-N 2.96Å; C751-I755 VanDerWaalsContact O-N 3.15Å; H752-I755 PolarHBondContact O-N 3.31Å; I755-M760 WeakPolarHBondContact O-CE 3.47Å; I755-W765 HydrophobicContact CG2-CZ2 4.09Å; I755-W765 PolarHBondContact O-NE1 3.48Å; I755-L778 HydrophobicContact CG2-CD2 3.61Å; I755-L778 HydrophobicContact CG2-CG 4.28Å; I755-I782 HydrophobicContact CB-CD1 4.31Å; I755-I782 HydrophobicContact CD1-CD1 3.62Å; I755-I782 HydrophobicContact CD1-CG1 4.27Å; I755-I782 HydrophobicContact CG2-CD1 4.16Å
756	I	85.8	Confident	87.1	Confident	31 Å²	31	50.8 Å²	50.8	16%	0.159	26%	0.256	C	S	.	.	S	Bend	trans	-118.5	72.5	-179.6	-50	-169.6	0	0	0	109	H752 R775 V779	H752-I756 PolarHBondContact O-N 2.98Å; I756-R775 HydrophobicContact CD1-CB 4.09Å; I756-R775 HydrophobicContact CD1-CG 4.21Å; I756-V779 HydrophobicContact CD1-CG2 3.69Å
757	N	85.9	Confident	87.2	Confident	41 Å²	41	54.8 Å²	54.8	22%	0.219	28%	0.275	C	S	.	.	S	Bend	trans	-112.5	167.1	165.6	70.3	3.3	0	0	0	111.1	H735 K759 M760 N761	H735-N757 PolarHBondContact CD2-ND2 3.1Å; H735-N757 VanDerWaalsContact CD2-ND2 3.28Å; H735-N757 PolarHBondContact NE2-ND2 3.36Å; N757-K759 VanDerWaalsContact C-N 3.32Å; N757-K759 PolarHBondContact O-N 2.84Å; N757-M760 PolarHBondContact O-N 3.45Å; N757-M760 WeakPolarHBondContact OD1-CB 3.25Å; N757-M760 PolarHBondContact OD1-N 3.48Å; N757-N761 VanDerWaalsContact O-CB 3.24Å; N757-N761 WeakPolarHBondContact O-CB 3.2Å; N757-N761 PolarHBondContact O-N 2.99Å; N757-N761 PolarHBondContact O-ND2 3.24Å; N757-N761 VanDerWaalsContact O-ND2 3.11Å
758	E	82.9	Confident	86.9	Confident	173 Å²	173	52.7 Å²	52.7	81%	0.808	26%	0.264	S	S	*	.	H	α-helix	trans	-57.1	-41.6	-178.4	-169.6	173.3	-168.4	0	0	112.9	N761 S762	E758-N761 PolarHBondContact O-N 3.35Å; E758-S762 WeakPolarHBondContact O-CB 3.31Å; E758-S762 PolarHBondContact O-N 3.04Å
759	K	84.4	Confident	86.4	Confident	115 Å²	115	53.8 Å²	53.8	50%	0.5	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-50.6	177.5	-70.1	-175.5	178.5	175.1	0	112.3	E730 N757 K763	E730-K759 IonicContact OE1-NZ 2.73Å; E730-K759 PolarHBondContact OE1-NZ 3.28Å; N757-K759 VanDerWaalsContact C-N 3.32Å; N757-K759 PolarHBondContact O-N 2.84Å; K759-K763 WeakPolarHBondContact O-CB 3.45Å; K759-K763 PolarHBondContact O-N 2.94Å; K759-K763 VanDerWaalsContact O-N 3.09Å
760	M	82	Confident	85.8	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-82.1	-21.6	-178.4	-163.7	146.2	65.9	0	0	113.1	M732 H735 F754 I755 N757 V764 W765	M732-M760 HydrophobicContact CB-SD 4.15Å; H735-M760 HydrophobicContact CB-CE 3.75Å; H735-M760 HydrophobicContact CB-SD 4.11Å; F754-M760 WeakPolarHBondContact O-CE 3.37Å; I755-M760 WeakPolarHBondContact O-CE 3.47Å; N757-M760 PolarHBondContact O-N 3.45Å; N757-M760 WeakPolarHBondContact OD1-CB 3.25Å; N757-M760 PolarHBondContact OD1-N 3.48Å; M760-V764 HydrophobicContact CG-CB 4.08Å; M760-V764 HydrophobicContact CG-CG2 3.88Å; M760-V764 WeakPolarHBondContact O-CA 3.49Å; M760-V764 WeakPolarHBondContact O-CB 3.43Å; M760-V764 PolarHBondContact O-N 3.45Å; M760-W765 PolarHBondContact O-N 2.72Å
761	N	85.2	Confident	85.4	Confident	27 Å²	27	48.7 Å²	48.7	14%	0.144	25%	0.253	C	S	.	.	H	α-helix	trans	-59	-61.3	165.3	-80.6	-36.5	0	0	0	110.3	N757 E758 K763 V764 W765 D766 R775	N757-N761 VanDerWaalsContact O-CB 3.24Å; N757-N761 WeakPolarHBondContact O-CB 3.2Å; N757-N761 PolarHBondContact O-N 2.99Å; N757-N761 PolarHBondContact O-ND2 3.24Å; N757-N761 VanDerWaalsContact O-ND2 3.11Å; E758-N761 PolarHBondContact O-N 3.35Å; N761-K763 VanDerWaalsContact C-N 3.27Å; N761-K763 PolarHBondContact O-N 2.78Å; N761-V764 PolarHBondContact O-N 3.08Å; N761-W765 PolarHBondContact O-N 3.09Å; N761-D766 WeakPolarHBondContact O-CB 3.17Å; N761-D766 PolarHBondContact O-N 3.1Å; N761-D766 VanDerWaalsContact O-OD2 3.12Å; N761-R775 VanDerWaalsContact OD1-CZ 3.28Å; N761-R775 PolarHBondContact OD1-NE 3.02Å; N761-R775 PolarHBondContact OD1-NH2 2.81Å
762	S	82.3	Confident	85.2	Confident	87 Å²	87	53.7 Å²	53.7	61%	0.608	28%	0.277	S	S	*	.	H	α-helix	trans	-57.6	-39.1	179.5	177.8	0	0	0	0	112.7	E758 D766	E758-S762 WeakPolarHBondContact O-CB 3.31Å; E758-S762 PolarHBondContact O-N 3.04Å; S762-D766 PolarHBondContact N-OD2 2.93Å
763	K	85.8	Confident	85	Confident	79 Å²	79	56.6 Å²	56.6	34%	0.343	29%	0.285	S	S	.	.	H	α-helix	trans	-81.6	-26.8	-175	-172.2	161.8	-178.6	164.8	0	115.3	E679 K759 N761 L767	E679-K763 WeakPolarHBondContact OE1-CE 3.4Å; E679-K763 IonicContact OE1-NZ 3.33Å; E679-K763 PolarHBondContact OE1-NZ 3.28Å; E679-K763 WeakPolarHBondContact OE2-CE 3.39Å; E679-K763 IonicContact OE2-NZ 3.18Å; E679-K763 PolarHBondContact OE2-NZ 2.99Å; K759-K763 WeakPolarHBondContact O-CB 3.45Å; K759-K763 PolarHBondContact O-N 2.94Å; K759-K763 VanDerWaalsContact O-N 3.09Å; N761-K763 VanDerWaalsContact C-N 3.27Å; N761-K763 PolarHBondContact O-N 2.78Å; K763-L767 WeakPolarHBondContact O-CD1 3.42Å
764	V	87.7	Confident	84.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-57.8	-171.9	-180	0	0	0	0	112	L680 C683 M760 N761 L767	L680-V764 HydrophobicContact CD1-CG1 3.6Å; C683-V764 HydrophobicContact CB-CG1 3.94Å; C683-V764 HydrophobicContact CB-CG2 4.1Å; M760-V764 HydrophobicContact CG-CB 4.08Å; M760-V764 HydrophobicContact CG-CG2 3.88Å; M760-V764 WeakPolarHBondContact O-CA 3.49Å; M760-V764 WeakPolarHBondContact O-CB 3.43Å; M760-V764 PolarHBondContact O-N 3.45Å; N761-V764 PolarHBondContact O-N 3.08Å; V764-L767 WeakPolarHBondContact O-CB 3.35Å; V764-L767 PolarHBondContact O-N 2.95Å
765	W	87.4	Confident	84.8	Confident	2 Å²	2	53 Å²	53	1%	0.008	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-76	-30.3	-166.8	-53.4	121.9	0	0	0	114.1	F620 I755 M760 N761 L767 F768 T771 V774 L778	F620-W765 HydrophobicContact CE1-CH2 4.31Å; F620-W765 AromaticContact CE1-CZ3 3.96Å; F620-W765 HydrophobicContact CE1-CZ3 3.96Å; F620-W765 HydrophobicContact CZ-CH2 4.2Å; F620-W765 HydrophobicContact CZ-CZ3 4.31Å; I755-W765 HydrophobicContact CG2-CZ2 4.09Å; I755-W765 PolarHBondContact O-NE1 3.48Å; M760-W765 PolarHBondContact O-N 2.72Å; N761-W765 PolarHBondContact O-N 3.09Å; W765-L767 PolarHBondContact O-N 3.32Å; W765-F768 HydrophobicContact CE3-CD2 4.14Å; W765-F768 AromaticContact CE3-CE2 3.72Å; W765-F768 HydrophobicContact CE3-CE2 3.72Å; W765-F768 AromaticContact CZ3-CE2 3.91Å; W765-F768 HydrophobicContact CZ3-CE2 3.91Å; W765-F768 PolarHBondContact O-N 3.29Å; W765-T771 WeakPolarHBondContact O-CG2 3.46Å; W765-V774 HydrophobicContact CE3-CG1 4.14Å; W765-V774 HydrophobicContact CZ3-CG1 4.16Å; W765-L778 HydrophobicContact CH2-CD2 3.54Å; W765-L778 HydrophobicContact CZ2-CD2 3.54Å; W765-L778 HydrophobicContact CZ3-CD2 4.19Å
766	D	88.3	Confident	84.9	Confident	81 Å²	81	58.2 Å²	58.2	43%	0.433	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-76.7	-5.1	177.8	-65.3	-44.2	0	0	0	113.4	N761 S762 F768 R775	N761-D766 WeakPolarHBondContact O-CB 3.17Å; N761-D766 PolarHBondContact O-N 3.1Å; N761-D766 VanDerWaalsContact O-OD2 3.12Å; S762-D766 PolarHBondContact N-OD2 2.93Å; D766-F768 VanDerWaalsContact C-N 3.28Å; D766-R775 IonicContact OD1-CZ 2.87Å; D766-R775 IonicContact OD1-NH1 3.32Å; D766-R775 PolarHBondContact OD1-NH1 3.06Å; D766-R775 IonicContact OD1-NH2 3.16Å; D766-R775 PolarHBondContact OD1-NH2 3.37Å; D766-R775 IonicContact OD2-NH2 3.76Å
767	L	87.1	Confident	85.2	Confident	88 Å²	88	58.2 Å²	58.2	46%	0.461	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-79.9	-6.5	171.2	-54.7	178.8	0	0	0	113.1	N677 L680 K763 V764 W765	N677-L767 HydrophobicContact CB-CD1 4.09Å; N677-L767 WeakPolarHBondContact ND2-CD1 3.4Å; L680-L767 HydrophobicContact CB-CD1 4.47Å; L680-L767 HydrophobicContact CD2-CB 4.36Å; K763-L767 WeakPolarHBondContact O-CD1 3.42Å; V764-L767 WeakPolarHBondContact O-CB 3.35Å; V764-L767 PolarHBondContact O-N 2.95Å; W765-L767 PolarHBondContact O-N 3.32Å
768	F	83.9	Confident	85.4	Confident	14 Å²	14	56.3 Å²	56.3	6%	0.061	28%	0.275	C	S	.	.	S	Bend	trans	-88	139.2	177.1	-78.6	-75.9	0	0	0	112.4	I617 R621 L680 V684 W765 D766 E770 T771 V774	I617-F768 HydrophobicContact CG2-CE1 3.72Å; I617-F768 HydrophobicContact CG2-CZ 4.31Å; R621-F768 HydrophobicContact CG-CD1 4.25Å; R621-F768 HydrophobicContact CG-CE1 3.85Å; L680-F768 HydrophobicContact CD1-CD2 4.39Å; L680-F768 HydrophobicContact CD1-CE2 3.52Å; L680-F768 HydrophobicContact CD1-CZ 3.7Å; V684-F768 HydrophobicContact CG2-CZ 4.28Å; W765-F768 HydrophobicContact CE3-CD2 4.14Å; W765-F768 AromaticContact CE3-CE2 3.72Å; W765-F768 HydrophobicContact CE3-CE2 3.72Å; W765-F768 AromaticContact CZ3-CE2 3.91Å; W765-F768 HydrophobicContact CZ3-CE2 3.91Å; W765-F768 PolarHBondContact O-N 3.29Å; D766-F768 VanDerWaalsContact C-N 3.28Å; F768-E770 PolarHBondContact O-N 3.49Å; F768-T771 WeakPolarHBondContact O-CG2 3.5Å; F768-V774 HydrophobicContact CD1-CG2 4.39Å; F768-V774 HydrophobicContact CD2-CG1 4.39Å; F768-V774 HydrophobicContact CE2-CG1 4.22Å; F768-V774 HydrophobicContact CG-CG2 4.35Å
769	P	80.1	Confident	85.8	Confident	38 Å²	38	49.6 Å²	49.6	25%	0.247	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.9	171.3	-23.3	33.9	0	0	0	114.5	F514 Y516	F514-P769 HydrophobicContact CB-CG 4.24Å; F514-P769 HydrophobicContact CD1-CB 3.71Å; F514-P769 HydrophobicContact CD1-CG 4.19Å; F514-P769 HydrophobicContact CD2-CB 3.88Å; F514-P769 HydrophobicContact CD2-CG 3.82Å; F514-P769 HydrophobicContact CE1-CB 3.62Å; F514-P769 HydrophobicContact CE2-CB 3.8Å; F514-P769 HydrophobicContact CE2-CG 4.17Å; F514-P769 HydrophobicContact CG-CB 3.83Å; F514-P769 HydrophobicContact CG-CG 3.82Å; F514-P769 HydrophobicContact CZ-CB 3.66Å; F514-P769 HydrophobicContact CZ-CG 4.5Å; Y516-P769 HydrophobicContact CE1-CB 4.43Å
770	E	79.4	Confident	86.1	Confident	25 Å²	25	49.4 Å²	49.4	12%	0.117	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	57.7	178.8	-71.8	175.4	-102.7	0	0	110.5	S579 R621 F768 Q772 R773 V774	S579-E770 PolarHBondContact OG-OE1 2.78Å; R621-E770 IonicContact CZ-OE1 2.83Å; R621-E770 IonicContact NH2-OE1 3.6Å; R621-E770 PolarHBondContact NH2-OE1 3.05Å; F768-E770 PolarHBondContact O-N 3.49Å; E770-Q772 PolarHBondContact O-N 3.26Å; E770-R773 HydrophobicContact CB-CB 4.37Å; E770-R773 PolarHBondContact O-N 3.3Å; E770-R773 WeakPolarHBondContact OE2-CD 3.37Å; E770-R773 IonicContact OE2-CZ 3.25Å; E770-R773 IonicContact OE2-NE 2.92Å; E770-R773 IonicContact OE2-NH1 3.43Å; E770-R773 PolarHBondContact OE2-NH1 3.01Å; E770-V774 WeakPolarHBondContact O-CG2 3.31Å; E770-V774 PolarHBondContact O-N 3.23Å
771	T	81	Confident	86.6	Confident	40 Å²	40	51.7 Å²	51.7	25%	0.245	25%	0.252	C	S	.	.	H	α-helix	trans	-50.8	-52.4	-173.6	63.4	0	0	0	0	113.2	W765 F768 R773 V774 R775	W765-T771 WeakPolarHBondContact O-CG2 3.46Å; F768-T771 WeakPolarHBondContact O-CG2 3.5Å; T771-R773 PolarHBondContact O-N 3.04Å; T771-V774 PolarHBondContact O-N 3.25Å; T771-R775 WeakPolarHBondContact O-CG 3.4Å; T771-R775 PolarHBondContact O-N 2.9Å
772	Q	83.1	Confident	86.9	Confident	105 Å²	105	50.4 Å²	50.4	49%	0.491	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-44.8	-173.4	-176.7	60.1	18.4	0	0	112.8	E770 V774 R775 E776	E770-Q772 PolarHBondContact O-N 3.26Å; Q772-V774 VanDerWaalsContact C-N 3.3Å; Q772-V774 PolarHBondContact O-N 3.17Å; Q772-R775 WeakPolarHBondContact O-CB 3.31Å; Q772-R775 PolarHBondContact O-N 3.22Å; Q772-R775 VanDerWaalsContact O-N 3.17Å; Q772-E776 WeakPolarHBondContact CG-OE1 3.17Å; Q772-E776 PolarHBondContact NE2-OE1 3.38Å; Q772-E776 WeakPolarHBondContact O-CG 3.45Å; Q772-E776 PolarHBondContact O-N 2.84Å
773	R	86.3	Confident	87.4	Confident	120 Å²	120	47 Å²	47	45%	0.453	22%	0.22	S	C	.	.	H	α-helix	trans	-62.7	-37.2	179	-174.4	-172.7	-179	171.5	4.7	112.2	E770 T771 M777	E770-R773 HydrophobicContact CB-CB 4.37Å; E770-R773 PolarHBondContact O-N 3.3Å; E770-R773 WeakPolarHBondContact OE2-CD 3.37Å; E770-R773 IonicContact OE2-CZ 3.25Å; E770-R773 IonicContact OE2-NE 2.92Å; E770-R773 IonicContact OE2-NH1 3.43Å; E770-R773 PolarHBondContact OE2-NH1 3.01Å; T771-R773 PolarHBondContact O-N 3.04Å; R773-M777 VanDerWaalsContact O-CB 3.24Å; R773-M777 WeakPolarHBondContact O-CB 3.21Å; R773-M777 PolarHBondContact O-N 2.86Å
774	V	86.9	Confident	87.6	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-69.3	-40	176.2	177.5	0	0	0	0	110.6	F620 R621 W765 F768 E770 T771 Q772 L778	F620-V774 HydrophobicContact CE1-CG1 4.08Å; R621-V774 HydrophobicContact CG-CG2 3.91Å; W765-V774 HydrophobicContact CE3-CG1 4.14Å; W765-V774 HydrophobicContact CZ3-CG1 4.16Å; F768-V774 HydrophobicContact CD1-CG2 4.39Å; F768-V774 HydrophobicContact CD2-CG1 4.39Å; F768-V774 HydrophobicContact CE2-CG1 4.22Å; F768-V774 HydrophobicContact CG-CG2 4.35Å; E770-V774 WeakPolarHBondContact O-CG2 3.31Å; E770-V774 PolarHBondContact O-N 3.23Å; T771-V774 PolarHBondContact O-N 3.25Å; Q772-V774 VanDerWaalsContact C-N 3.3Å; Q772-V774 PolarHBondContact O-N 3.17Å; V774-L778 WeakPolarHBondContact O-CB 3.16Å; V774-L778 PolarHBondContact O-N 3Å
775	R	88.3	Confident	87.7	Confident	40 Å²	40	46.4 Å²	46.4	15%	0.151	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-52.4	173.4	-70.8	174.4	174.6	129.6	8.8	111.6	I756 N761 D766 T771 Q772 M777 L778 V779	I756-R775 HydrophobicContact CD1-CB 4.09Å; I756-R775 HydrophobicContact CD1-CG 4.21Å; N761-R775 VanDerWaalsContact OD1-CZ 3.28Å; N761-R775 PolarHBondContact OD1-NE 3.02Å; N761-R775 PolarHBondContact OD1-NH2 2.81Å; D766-R775 IonicContact OD1-CZ 2.87Å; D766-R775 IonicContact OD1-NH1 3.32Å; D766-R775 PolarHBondContact OD1-NH1 3.06Å; D766-R775 IonicContact OD1-NH2 3.16Å; D766-R775 PolarHBondContact OD1-NH2 3.37Å; D766-R775 IonicContact OD2-NH2 3.76Å; T771-R775 WeakPolarHBondContact O-CG 3.4Å; T771-R775 PolarHBondContact O-N 2.9Å; Q772-R775 WeakPolarHBondContact O-CB 3.31Å; Q772-R775 PolarHBondContact O-N 3.22Å; Q772-R775 VanDerWaalsContact O-N 3.17Å; R775-M777 PolarHBondContact O-N 3.48Å; R775-L778 PolarHBondContact O-N 3.34Å; R775-L778 VanDerWaalsContact O-N 3.14Å; R775-V779 WeakPolarHBondContact O-CG2 3.44Å; R775-V779 PolarHBondContact O-N 3.23Å
776	E	89.4	Confident	87.9	Confident	110 Å²	110	46.3 Å²	46.3	51%	0.514	22%	0.217	S	C	.	.	H	α-helix	trans	-60.4	-44.8	180	-71.4	166.4	-176.8	0	0	112.6	Q772 L778 R780	Q772-E776 WeakPolarHBondContact CG-OE1 3.17Å; Q772-E776 PolarHBondContact NE2-OE1 3.38Å; Q772-E776 WeakPolarHBondContact O-CG 3.45Å; Q772-E776 PolarHBondContact O-N 2.84Å; E776-L778 VanDerWaalsContact C-N 3.31Å; E776-L778 PolarHBondContact O-N 3.3Å; E776-R780 WeakPolarHBondContact O-CB 3.38Å; E776-R780 PolarHBondContact O-N 3.49Å; E776-R780 VanDerWaalsContact O-N 3.07Å
777	M	90.8	Very high	88	Confident	31 Å²	31	42.4 Å²	42.4	15%	0.153	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-41.9	174.5	-178	-75.7	-57.6	0	0	111.5	F620 G623 R773 R775 K781	F620-M777 HydrophobicContact CD1-CE 4.45Å; F620-M777 HydrophobicContact CE1-CE 4.21Å; F620-M777 HydrophobicContact CZ-CE 4.44Å; F620-M777 WeakPolarHBondContact O-CE 3.41Å; G623-M777 VanDerWaalsContact CA-SD 3.6Å; R773-M777 VanDerWaalsContact O-CB 3.24Å; R773-M777 WeakPolarHBondContact O-CB 3.21Å; R773-M777 PolarHBondContact O-N 2.86Å; R775-M777 PolarHBondContact O-N 3.48Å; M777-K781 WeakPolarHBondContact O-CG 3.25Å; M777-K781 PolarHBondContact O-N 2.93Å; M777-K781 HydrophobicContact SD-CG 3.87Å
778	L	90.3	Very high	88.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-72.5	-41.3	-178.5	-175.2	56	0	0	0	112.6	F620 V687 L691 I755 W765 V774 R775 E776 R780 K781 I782	F620-L778 HydrophobicContact CZ-CD1 4.27Å; V687-L778 HydrophobicContact CG1-CD1 3.72Å; L691-L778 HydrophobicContact CD1-CD1 4.27Å; I755-L778 HydrophobicContact CG2-CD2 3.61Å; I755-L778 HydrophobicContact CG2-CG 4.28Å; W765-L778 HydrophobicContact CH2-CD2 3.54Å; W765-L778 HydrophobicContact CZ2-CD2 3.54Å; W765-L778 HydrophobicContact CZ3-CD2 4.19Å; V774-L778 WeakPolarHBondContact O-CB 3.16Å; V774-L778 PolarHBondContact O-N 3Å; R775-L778 PolarHBondContact O-N 3.34Å; R775-L778 VanDerWaalsContact O-N 3.14Å; E776-L778 VanDerWaalsContact C-N 3.31Å; E776-L778 PolarHBondContact O-N 3.3Å; L778-R780 VanDerWaalsContact C-N 3.33Å; L778-R780 PolarHBondContact O-N 3.28Å; L778-K781 PolarHBondContact O-N 2.96Å; L778-I782 HydrophobicContact CD1-CD1 4.21Å; L778-I782 HydrophobicContact CD1-CG1 4.34Å; L778-I782 HydrophobicContact CG-CD1 3.97Å; L778-I782 WeakPolarHBondContact O-CD1 3.46Å; L778-I782 VanDerWaalsContact O-CG1 3.26Å; L778-I782 WeakPolarHBondContact O-CG1 3.22Å; L778-I782 PolarHBondContact O-N 3.49Å
779	V	91.3	Very high	88.3	Confident	32 Å²	32	39.5 Å²	39.5	19%	0.194	18%	0.179	C	C	.	.	H	α-helix	trans	-54.8	-51.6	171.3	171	0	0	0	0	109.9	I756 R775 K781 I782 Q783	I756-V779 HydrophobicContact CD1-CG2 3.69Å; R775-V779 WeakPolarHBondContact O-CG2 3.44Å; R775-V779 PolarHBondContact O-N 3.23Å; V779-K781 VanDerWaalsContact C-N 3.33Å; V779-K781 PolarHBondContact O-N 2.86Å; V779-I782 PolarHBondContact O-N 3.17Å; V779-I782 VanDerWaalsContact O-N 3.17Å; V779-Q783 WeakPolarHBondContact O-CG 3.26Å; V779-Q783 PolarHBondContact O-N 2.97Å
780	R	92.3	Very high	88.8	Confident	111 Å²	111	39 Å²	39	42%	0.419	17%	0.173	S	C	.	.	H	α-helix	trans	-58.6	-42.5	178	-178	175.3	176.5	138.9	7.2	112.2	E776 L778 Q783 E784	E776-R780 WeakPolarHBondContact O-CB 3.38Å; E776-R780 PolarHBondContact O-N 3.49Å; E776-R780 VanDerWaalsContact O-N 3.07Å; L778-R780 VanDerWaalsContact C-N 3.33Å; L778-R780 PolarHBondContact O-N 3.28Å; R780-Q783 PolarHBondContact O-N 2.82Å; R780-E784 HydrophobicContact CG-CG 4.34Å; R780-E784 WeakPolarHBondContact CG-OE1 3.45Å; R780-E784 IonicContact CZ-OE1 3.49Å; R780-E784 IonicContact NE-OE1 2.73Å; R780-E784 PolarHBondContact NE-OE1 3Å; R780-E784 IonicContact NH2-OE1 3.73Å; R780-E784 WeakPolarHBondContact O-CB 3.29Å; R780-E784 VanDerWaalsContact O-CG 3.26Å; R780-E784 WeakPolarHBondContact O-CG 3.42Å; R780-E784 PolarHBondContact O-N 3.37Å
781	K	91.5	Very high	89.2	Confident	53 Å²	53	38 Å²	38	23%	0.23	17%	0.168	C	C	.	.	H	α-helix	trans	-69	-33.8	177.6	-74.4	-70.4	164.1	-153.6	0	113.5	L691 M777 L778 V779 E784 E785	L691-K781 HydrophobicContact CD1-CB 4.18Å; M777-K781 WeakPolarHBondContact O-CG 3.25Å; M777-K781 PolarHBondContact O-N 2.93Å; M777-K781 HydrophobicContact SD-CG 3.87Å; L778-K781 PolarHBondContact O-N 2.96Å; V779-K781 VanDerWaalsContact C-N 3.33Å; V779-K781 PolarHBondContact O-N 2.86Å; K781-E784 IonicContact NZ-OE2 2.71Å; K781-E784 PolarHBondContact NZ-OE2 3.44Å; K781-E785 PolarHBondContact O-N 3.32Å; K781-E785 VanDerWaalsContact O-N 3.09Å
782	I	92.2	Very high	89.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-45.1	171.7	-67.8	159.9	0	0	0	109.9	L691 W748 C751 I755 L778 V779 S786	L691-I782 HydrophobicContact CD2-CG1 4.33Å; W748-I782 HydrophobicContact CB-CG2 4.36Å; C751-I782 HydrophobicContact CB-CG2 4.24Å; I755-I782 HydrophobicContact CB-CD1 4.31Å; I755-I782 HydrophobicContact CD1-CD1 3.62Å; I755-I782 HydrophobicContact CD1-CG1 4.27Å; I755-I782 HydrophobicContact CG2-CD1 4.16Å; L778-I782 HydrophobicContact CD1-CD1 4.21Å; L778-I782 HydrophobicContact CD1-CG1 4.34Å; L778-I782 HydrophobicContact CG-CD1 3.97Å; L778-I782 WeakPolarHBondContact O-CD1 3.46Å; L778-I782 VanDerWaalsContact O-CG1 3.26Å; L778-I782 WeakPolarHBondContact O-CG1 3.22Å; L778-I782 PolarHBondContact O-N 3.49Å; V779-I782 PolarHBondContact O-N 3.17Å; V779-I782 VanDerWaalsContact O-N 3.17Å; I782-S786 WeakPolarHBondContact O-CB 3.35Å; I782-S786 PolarHBondContact O-N 3.27Å; I782-S786 PolarHBondContact O-OG 3.4Å
783	Q	91.8	Very high	89.5	Confident	17 Å²	17	34.8 Å²	34.8	8%	0.079	15%	0.153	C	C	.	.	H	α-helix	trans	-60.7	-48.8	175.2	-69.7	166.9	-41.1	0	0	112	W748 V779 R780 E785 S786 L787 F810 L812	W748-Q783 HydrophobicContact CD2-CG 4.02Å; W748-Q783 HydrophobicContact CE3-CG 3.85Å; W748-Q783 HydrophobicContact CG-CG 4.49Å; W748-Q783 HydrophobicContact CZ3-CG 4.17Å; V779-Q783 WeakPolarHBondContact O-CG 3.26Å; V779-Q783 PolarHBondContact O-N 2.97Å; R780-Q783 PolarHBondContact O-N 2.82Å; Q783-E785 PolarHBondContact O-N 3.49Å; Q783-S786 WeakPolarHBondContact CA-OG 3.2Å; Q783-S786 PolarHBondContact O-OG 2.91Å; Q783-S786 VanDerWaalsContact O-OG 3.09Å; Q783-L787 WeakPolarHBondContact O-CB 3.23Å; Q783-L787 PolarHBondContact O-N 3.43Å; Q783-F810 WeakPolarHBondContact CG-O 3.5Å; Q783-F810 PolarHBondContact NE2-O 3.45Å; Q783-F810 VanDerWaalsContact NE2-O 3.09Å; Q783-L812 HydrophobicContact CB-CD1 4.11Å; Q783-L812 HydrophobicContact CB-CD2 3.85Å; Q783-L812 HydrophobicContact CB-CG 4.01Å
784	E	90.7	Very high	89.4	Confident	23 Å²	23	33 Å²	33	11%	0.107	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-43.1	-179	-71	176.4	-177	0	0	112.9	R780 K781 R788 L812 I820	R780-E784 HydrophobicContact CG-CG 4.34Å; R780-E784 WeakPolarHBondContact CG-OE1 3.45Å; R780-E784 IonicContact CZ-OE1 3.49Å; R780-E784 IonicContact NE-OE1 2.73Å; R780-E784 PolarHBondContact NE-OE1 3Å; R780-E784 IonicContact NH2-OE1 3.73Å; R780-E784 WeakPolarHBondContact O-CB 3.29Å; R780-E784 VanDerWaalsContact O-CG 3.26Å; R780-E784 WeakPolarHBondContact O-CG 3.42Å; R780-E784 PolarHBondContact O-N 3.37Å; K781-E784 IonicContact NZ-OE2 2.71Å; K781-E784 PolarHBondContact NZ-OE2 3.44Å; E784-R788 WeakPolarHBondContact O-CG 3.46Å; E784-R788 PolarHBondContact O-N 2.99Å; E784-L812 HydrophobicContact CG-CD2 4.45Å; E784-I820 HydrophobicContact CB-CD1 4.15Å; E784-I820 HydrophobicContact CG-CD1 3.96Å
785	E	90.1	Very high	89.2	Confident	42 Å²	42	33.3 Å²	33.3	20%	0.196	15%	0.149	C	C	.	.	H	α-helix	trans	-86.9	-24	-179.2	-62.6	-63.2	164.7	0	0	113.8	L691 P695 M743 K781 Q783 R788 T789	L691-E785 HydrophobicContact CD2-CB 4.22Å; L691-E785 HydrophobicContact CD2-CG 4.32Å; P695-E785 HydrophobicContact CG-CB 4.08Å; P695-E785 WeakPolarHBondContact CG-OE2 3.31Å; M743-E785 HydrophobicContact CE-CB 3.45Å; M743-E785 VanDerWaalsContact CE-CB 3.45Å; K781-E785 PolarHBondContact O-N 3.32Å; K781-E785 VanDerWaalsContact O-N 3.09Å; Q783-E785 PolarHBondContact O-N 3.49Å; E785-R788 PolarHBondContact O-N 3Å; E785-R788 WeakPolarHBondContact OE2-CD 3.28Å; E785-R788 IonicContact OE2-NE 3.24Å; E785-R788 PolarHBondContact OE2-NE 3.27Å; E785-T789 WeakPolarHBondContact O-CB 3.35Å; E785-T789 PolarHBondContact O-N 3.02Å; E785-T789 PolarHBondContact O-OG1 3.22Å
786	S	90.3	Very high	88.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-71.3	-37.7	170.9	58	0	0	0	0	111.6	W748 I782 Q783 R788 T789 Y790	W748-S786 VanDerWaalsContact CB-OG 3.27Å; W748-S786 WeakPolarHBondContact CB-OG 3.46Å; I782-S786 WeakPolarHBondContact O-CB 3.35Å; I782-S786 PolarHBondContact O-N 3.27Å; I782-S786 PolarHBondContact O-OG 3.4Å; Q783-S786 WeakPolarHBondContact CA-OG 3.2Å; Q783-S786 PolarHBondContact O-OG 2.91Å; Q783-S786 VanDerWaalsContact O-OG 3.09Å; S786-R788 VanDerWaalsContact C-N 3.33Å; S786-R788 PolarHBondContact O-N 2.96Å; S786-T789 PolarHBondContact O-N 3.18Å; S786-Y790 WeakPolarHBondContact O-CB 3.39Å; S786-Y790 PolarHBondContact O-N 3.02Å
787	L	90.6	Very high	88.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.7	-46.2	168.6	171.9	62.1	0	0	0	111.2	Q783 Y790 L791 L806 F810 L812 V817 I820	Q783-L787 WeakPolarHBondContact O-CB 3.23Å; Q783-L787 PolarHBondContact O-N 3.43Å; L787-Y790 PolarHBondContact O-N 2.78Å; L787-L791 HydrophobicContact CD1-CD1 4.08Å; L787-L791 HydrophobicContact CD1-CG 4.27Å; L787-L791 HydrophobicContact CG-CD1 4.31Å; L787-L791 WeakPolarHBondContact O-CG 3.47Å; L787-L791 PolarHBondContact O-N 2.79Å; L787-L806 HydrophobicContact CD1-CD1 4.46Å; L787-L806 HydrophobicContact CD1-CD2 3.98Å; L787-F810 HydrophobicContact CB-CD1 4.06Å; L787-F810 HydrophobicContact CB-CD2 4.41Å; L787-F810 HydrophobicContact CB-CE1 4.25Å; L787-F810 HydrophobicContact CB-CG 4.16Å; L787-F810 HydrophobicContact CD1-CD2 3.79Å; L787-F810 HydrophobicContact CD1-CE2 3.82Å; L787-F810 HydrophobicContact CD1-CG 4.35Å; L787-F810 HydrophobicContact CD1-CZ 4.41Å; L787-L812 HydrophobicContact CD2-CD1 4.02Å; L787-V817 HydrophobicContact CD2-CG1 4.32Å; L787-V817 HydrophobicContact CD2-CG2 4.22Å; L787-I820 HydrophobicContact CD2-CD1 4.28Å; L787-I820 HydrophobicContact CD2-CG2 4.48Å
788	R	89.6	Confident	88.5	Confident	41 Å²	41	38.1 Å²	38.1	16%	0.155	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-47.7	175.4	-72.6	170.8	50.8	71.1	2.1	111.6	E784 E785 S786 Y790 L791 F792 I820 M824 E829	E784-R788 WeakPolarHBondContact O-CG 3.46Å; E784-R788 PolarHBondContact O-N 2.99Å; E785-R788 PolarHBondContact O-N 3Å; E785-R788 WeakPolarHBondContact OE2-CD 3.28Å; E785-R788 IonicContact OE2-NE 3.24Å; E785-R788 PolarHBondContact OE2-NE 3.27Å; S786-R788 VanDerWaalsContact C-N 3.33Å; S786-R788 PolarHBondContact O-N 2.96Å; R788-Y790 PolarHBondContact O-N 3.19Å; R788-L791 PolarHBondContact O-N 3.24Å; R788-F792 HydrophobicContact CB-CE2 4.27Å; R788-F792 WeakPolarHBondContact O-CD2 3.4Å; R788-F792 WeakPolarHBondContact O-CG 3.44Å; R788-F792 PolarHBondContact O-N 3.43Å; R788-I820 HydrophobicContact CG-CG2 3.61Å; R788-M824 HydrophobicContact CB-SD 4.48Å; R788-M824 HydrophobicContact CG-SD 3.84Å; R788-E829 IonicContact CZ-OE2 2.73Å; R788-E829 IonicContact NH1-OE2 2.97Å; R788-E829 PolarHBondContact NH1-OE2 3.32Å; R788-E829 IonicContact NH2-OE1 2.77Å; R788-E829 IonicContact NH2-OE2 2.77Å; R788-E829 PolarHBondContact NH2-OE2 3.39Å
789	T	89.2	Confident	88.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-39.1	179.3	-53.3	0	0	0	0	112.7	I694 A698 M743 E785 S786 F792 T793	I694-T789 HydrophobicContact CG2-CG2 3.68Å; A698-T789 HydrophobicContact CB-CG2 3.99Å; M743-T789 WeakPolarHBondContact O-CG2 3.41Å; E785-T789 WeakPolarHBondContact O-CB 3.35Å; E785-T789 PolarHBondContact O-N 3.02Å; E785-T789 PolarHBondContact O-OG1 3.22Å; S786-T789 PolarHBondContact O-N 3.18Å; T789-F792 PolarHBondContact O-N 3.46Å; T789-T793 WeakPolarHBondContact O-CB 3.41Å; T789-T793 PolarHBondContact O-N 2.94Å; T789-T793 PolarHBondContact O-OG1 3.4Å
790	Y	89.9	Confident	88	Confident	28 Å²	28	43.8 Å²	43.8	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-47.9	175.7	177.5	-95.1	0	0	0	111.1	S786 L787 R788 T793 Y794 Y798 M809 F810	S786-Y790 WeakPolarHBondContact O-CB 3.39Å; S786-Y790 PolarHBondContact O-N 3.02Å; L787-Y790 PolarHBondContact O-N 2.78Å; R788-Y790 PolarHBondContact O-N 3.19Å; Y790-T793 PolarHBondContact O-N 3.09Å; Y790-Y794 AromaticContact CD2-CD2 3.43Å; Y790-Y794 HydrophobicContact CD2-CD2 3.43Å; Y790-Y794 VanDerWaalsContact CD2-CD2 3.43Å; Y790-Y794 AromaticContact CD2-CE2 3.72Å; Y790-Y794 HydrophobicContact CD2-CE2 3.72Å; Y790-Y794 AromaticContact CE2-CD2 3.51Å; Y790-Y794 HydrophobicContact CE2-CD2 3.51Å; Y790-Y794 AromaticContact CE2-CE2 3.87Å; Y790-Y794 HydrophobicContact CE2-CE2 3.87Å; Y790-Y794 HydrophobicContact CE2-CG 4.34Å; Y790-Y794 HydrophobicContact CG-CD2 4.04Å; Y790-Y794 WeakPolarHBondContact O-CB 3.32Å; Y790-Y794 WeakPolarHBondContact O-CD2 3.17Å; Y790-Y794 PolarHBondContact O-N 3.41Å; Y790-Y798 HydrophobicContact CE1-CE2 4.25Å; Y790-Y798 PolarHBondContact OH-OH 3.43Å; Y790-M809 HydrophobicContact CE1-CE 4.4Å; Y790-M809 HydrophobicContact CE2-CE 4.47Å; Y790-F810 HydrophobicContact CD1-CE2 4.11Å; Y790-F810 HydrophobicContact CD1-CZ 4.03Å; Y790-F810 HydrophobicContact CD2-CZ 4.24Å; Y790-F810 HydrophobicContact CG-CE2 4.31Å; Y790-F810 AromaticContact CG-CZ 3.76Å; Y790-F810 HydrophobicContact CG-CZ 3.76Å
791	L	87.4	Confident	87.9	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-45.3	175.5	-71.6	171.8	0	0	0	111.5	L787 R788 T793 S795 I801 I821 M824 M843	L787-L791 HydrophobicContact CD1-CD1 4.08Å; L787-L791 HydrophobicContact CD1-CG 4.27Å; L787-L791 HydrophobicContact CG-CD1 4.31Å; L787-L791 WeakPolarHBondContact O-CG 3.47Å; L787-L791 PolarHBondContact O-N 2.79Å; R788-L791 PolarHBondContact O-N 3.24Å; L791-T793 VanDerWaalsContact C-N 3.33Å; L791-T793 PolarHBondContact O-N 2.79Å; L791-S795 WeakPolarHBondContact O-CB 3.5Å; L791-S795 PolarHBondContact O-N 2.91Å; L791-I801 HydrophobicContact CD2-CD1 4.03Å; L791-I821 HydrophobicContact CD1-CD1 4.24Å; L791-I821 HydrophobicContact CD1-CG1 3.95Å; L791-M824 HydrophobicContact CB-CE 3.97Å; L791-M824 HydrophobicContact CD1-CE 4.13Å; L791-M824 HydrophobicContact CD1-SD 4.11Å; L791-M843 HydrophobicContact CD2-CE 4.32Å
792	F	86.3	Confident	87.8	Confident	31 Å²	31	38.3 Å²	38.3	14%	0.136	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-39.9	175.5	-65.7	-43.4	0	0	0	113.5	P695 A698 A699 R788 T789 M824 E829	P695-F792 HydrophobicContact CB-CD2 4.45Å; P695-F792 HydrophobicContact CB-CE2 4.06Å; P695-F792 WeakPolarHBondContact O-CD2 3.42Å; P695-F792 WeakPolarHBondContact O-CE2 3.19Å; A698-F792 HydrophobicContact CB-CB 3.87Å; A698-F792 HydrophobicContact CB-CD2 4.31Å; A699-F792 HydrophobicContact CB-CD1 3.89Å; A699-F792 HydrophobicContact CB-CD2 3.96Å; A699-F792 HydrophobicContact CB-CE1 3.89Å; A699-F792 HydrophobicContact CB-CE2 3.96Å; A699-F792 HydrophobicContact CB-CG 3.94Å; A699-F792 HydrophobicContact CB-CZ 3.93Å; R788-F792 HydrophobicContact CB-CE2 4.27Å; R788-F792 WeakPolarHBondContact O-CD2 3.4Å; R788-F792 WeakPolarHBondContact O-CG 3.44Å; R788-F792 PolarHBondContact O-N 3.43Å; T789-F792 PolarHBondContact O-N 3.46Å; F792-M824 HydrophobicContact CD1-CE 4.05Å; F792-M824 HydrophobicContact CE1-CE 3.54Å; F792-M824 HydrophobicContact CE2-CE 4.37Å; F792-M824 HydrophobicContact CZ-CE 3.73Å; F792-E829 HydrophobicContact CE1-CB 3.95Å; F792-E829 WeakPolarHBondContact CE1-O 3.44Å; F792-E829 HydrophobicContact CZ-CB 4.18Å; F792-E829 HydrophobicContact CZ-CG 4.47Å
793	T	84.6	Confident	87.4	Confident	46 Å²	46	38.5 Å²	38.5	28%	0.282	21%	0.206	S	C	.	.	H	α-helix	trans	-77.4	-35.8	-176.1	-53.4	0	0	0	0	112.5	T789 Y790 L791	T789-T793 WeakPolarHBondContact O-CB 3.41Å; T789-T793 PolarHBondContact O-N 2.94Å; T789-T793 PolarHBondContact O-OG1 3.4Å; Y790-T793 PolarHBondContact O-N 3.09Å; L791-T793 VanDerWaalsContact C-N 3.33Å; L791-T793 PolarHBondContact O-N 2.79Å
794	Y	85	Confident	87.3	Confident	84 Å²	84	43.4 Å²	43.4	33%	0.329	23%	0.229	S	C	.	.	H	α-helix	trans	-112.5	-0.6	-169.9	-61.1	-69.6	0	0	0	115.3	Y790 S796 V797 Y798	Y790-Y794 AromaticContact CD2-CD2 3.43Å; Y790-Y794 HydrophobicContact CD2-CD2 3.43Å; Y790-Y794 VanDerWaalsContact CD2-CD2 3.43Å; Y790-Y794 AromaticContact CD2-CE2 3.72Å; Y790-Y794 HydrophobicContact CD2-CE2 3.72Å; Y790-Y794 AromaticContact CE2-CD2 3.51Å; Y790-Y794 HydrophobicContact CE2-CD2 3.51Å; Y790-Y794 AromaticContact CE2-CE2 3.87Å; Y790-Y794 HydrophobicContact CE2-CE2 3.87Å; Y790-Y794 HydrophobicContact CE2-CG 4.34Å; Y790-Y794 HydrophobicContact CG-CD2 4.04Å; Y790-Y794 WeakPolarHBondContact O-CB 3.32Å; Y790-Y794 WeakPolarHBondContact O-CD2 3.17Å; Y790-Y794 PolarHBondContact O-N 3.41Å; Y794-S796 PolarHBondContact O-N 2.88Å; Y794-V797 PolarHBondContact O-N 3.42Å; Y794-Y798 VanDerWaalsContact O-CD2 3.32Å; Y794-Y798 WeakPolarHBondContact O-CD2 3.39Å
795	S	82.5	Confident	87.2	Confident	8 Å²	8	45 Å²	45	6%	0.056	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-45.7	-48.1	173.9	176	0	0	0	0	112.2	L791 V797 Y798 E847	L791-S795 WeakPolarHBondContact O-CB 3.5Å; L791-S795 PolarHBondContact O-N 2.91Å; S795-V797 PolarHBondContact O-N 2.91Å; S795-Y798 PolarHBondContact O-N 3.15Å; S795-E847 WeakPolarHBondContact CB-OE1 3.39Å; S795-E847 PolarHBondContact OG-OE1 3.08Å
796	S	80.4	Confident	87.1	Confident	81 Å²	81	43.1 Å²	43.1	57%	0.566	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-50.2	-22.7	177	64.4	0	0	0	0	116.7	Y794 E847	Y794-S796 PolarHBondContact O-N 2.88Å; S796-E847 WeakPolarHBondContact CA-OE2 3.49Å; S796-E847 WeakPolarHBondContact CB-OE2 3.1Å; S796-E847 PolarHBondContact N-OE1 2.79Å; S796-E847 VanDerWaalsContact N-OE1 3.16Å; S796-E847 PolarHBondContact N-OE2 2.93Å
797	V	85.8	Confident	87.1	Confident	112 Å²	112	44.2 Å²	44.2	68%	0.679	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-101.2	-22.6	-175.5	-172.4	0	0	0	0	112.1	Y794 S795	Y794-V797 PolarHBondContact O-N 3.42Å; S795-V797 PolarHBondContact O-N 2.91Å
798	Y	86.6	Confident	87.1	Confident	88 Å²	88	51.4 Å²	51.4	35%	0.345	27%	0.273	S	S	.	.			trans	-98.5	130.4	-173.9	-72.4	-66.2	0	0	0	112.5	Y790 Y794 S795 I801 M843	Y790-Y798 HydrophobicContact CE1-CE2 4.25Å; Y790-Y798 PolarHBondContact OH-OH 3.43Å; Y794-Y798 VanDerWaalsContact O-CD2 3.32Å; Y794-Y798 WeakPolarHBondContact O-CD2 3.39Å; S795-Y798 PolarHBondContact O-N 3.15Å; Y798-I801 HydrophobicContact CD1-CD1 4.31Å; Y798-I801 HydrophobicContact CD1-CG1 4.07Å; Y798-I801 HydrophobicContact CD2-CD1 3.7Å; Y798-I801 HydrophobicContact CD2-CG1 4.34Å; Y798-I801 HydrophobicContact CE2-CD1 4.39Å; Y798-I801 HydrophobicContact CG-CD1 3.65Å; Y798-I801 HydrophobicContact CG-CG1 3.78Å; Y798-M843 VanDerWaalsContact O-CB 3.28Å; Y798-M843 WeakPolarHBondContact O-CB 3.09Å; Y798-M843 WeakPolarHBondContact O-CG 3.2Å
799	D	85.1	Confident	87	Confident	79 Å²	79	53.4 Å²	53.4	42%	0.422	29%	0.285	S	S	.	.	S	Bend	trans	-90.8	-40.3	175.7	-153.8	31.3	0	0	0	111	M843 R845	D799-M843 PolarHBondContact O-N 3.19Å; D799-R845 IonicContact OD1-CZ 3.51Å; D799-R845 VanDerWaalsContact OD1-CZ 3.24Å; D799-R845 IonicContact OD1-NE 3.53Å; D799-R845 PolarHBondContact OD1-NE 2.73Å; D799-R845 IonicContact OD1-NH2 2.7Å; D799-R845 PolarHBondContact OD1-NH2 3.46Å; D799-R845 IonicContact OD2-CZ 3.48Å; D799-R845 IonicContact OD2-NE 3.48Å; D799-R845 IonicContact OD2-NH2 3.74Å; D799-R845 PolarHBondContact OD2-NH2 2.9Å
800	S	87.1	Confident	87	Confident	72 Å²	72	53.6 Å²	53.6	50%	0.503	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	151.9	167	54.7	0	0	0	0	110.8	V841	S800-V841 CarbonylContact C-O 3.47Å; S800-V841 WeakPolarHBondContact CA-O 3.14Å
801	I	88.4	Confident	87	Confident	16 Å²	16	57.5 Å²	57.5	8%	0.082	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	134.8	178.7	-45.5	179.6	0	0	0	108.4	L791 Y798 L806 T840 V841 M843	L791-I801 HydrophobicContact CD2-CD1 4.03Å; Y798-I801 HydrophobicContact CD1-CD1 4.31Å; Y798-I801 HydrophobicContact CD1-CG1 4.07Å; Y798-I801 HydrophobicContact CD2-CD1 3.7Å; Y798-I801 HydrophobicContact CD2-CG1 4.34Å; Y798-I801 HydrophobicContact CE2-CD1 4.39Å; Y798-I801 HydrophobicContact CG-CD1 3.65Å; Y798-I801 HydrophobicContact CG-CG1 3.78Å; I801-L806 HydrophobicContact CG2-CD1 3.94Å; I801-L806 HydrophobicContact CG2-CD2 4.03Å; I801-L806 HydrophobicContact CG2-CG 3.76Å; I801-T840 CarbonylContact O-C 3.54Å; I801-T840 WeakPolarHBondContact O-CA 3.42Å; I801-V841 PolarHBondContact N-O 3.23Å; I801-V841 PolarHBondContact O-N 3.33Å; I801-M843 HydrophobicContact CD1-CE 3.65Å; I801-M843 HydrophobicContact CG1-CE 4.25Å
802	S	89.8	Confident	87.2	Confident	34 Å²	34	57.9 Å²	57.9	24%	0.238	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	145.6	172	69.3	0	0	0	0	111.6	E804 T805 L806	S802-E804 PolarHBondContact O-N 3.43Å; S802-T805 PolarHBondContact O-N 3.26Å; S802-T805 PolarHBondContact O-OG1 3.12Å; S802-T805 VanDerWaalsContact O-OG1 3.04Å; S802-T805 WeakPolarHBondContact OG-CG2 3.22Å; S802-T805 PolarHBondContact OG-N 2.73Å; S802-T805 PolarHBondContact OG-OG1 3.1Å; S802-L806 PolarHBondContact O-N 3.03Å
803	M	84.9	Confident	87.3	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.015	33%	0.328	C	S	.	.	H	α-helix	trans	-70.2	-25.1	176.7	-67.6	174.1	67.4	0	0	112.6	L806 S807 I814 V817 H818 L834 Q839 V841	M803-L806 PolarHBondContact O-N 3.36Å; M803-S807 VanDerWaalsContact O-CB 3.29Å; M803-S807 WeakPolarHBondContact O-CB 3.45Å; M803-S807 PolarHBondContact O-N 2.88Å; M803-I814 HydrophobicContact CE-CG2 4.05Å; M803-V817 HydrophobicContact CE-CG1 4.48Å; M803-H818 VanDerWaalsContact CE-CA 3.46Å; M803-H818 HydrophobicContact CE-CB 3.5Å; M803-H818 VanDerWaalsContact CE-CB 3.5Å; M803-L834 HydrophobicContact CG-CD1 4.48Å; M803-L834 HydrophobicContact SD-CD1 3.5Å; M803-L834 VanDerWaalsContact SD-CD1 3.5Å; M803-Q839 HydrophobicContact CB-CB 4.36Å; M803-Q839 WeakPolarHBondContact CB-O 3.34Å; M803-Q839 VanDerWaalsContact CG-O 3.31Å; M803-Q839 WeakPolarHBondContact CG-O 3.43Å; M803-Q839 PolarHBondContact N-O 3.1Å; M803-Q839 HydrophobicContact SD-CB 4.11Å; M803-V841 HydrophobicContact CG-CG2 4.35Å
804	E	88.5	Confident	87.5	Confident	120 Å²	120	63 Å²	63	56%	0.561	33%	0.329	S	S	*	.	H	α-helix	trans	-63.3	-46.6	174.2	-62.6	178.6	154.3	0	0	111	S802 L806 S807 E808	S802-E804 PolarHBondContact O-N 3.43Å; E804-L806 PolarHBondContact O-N 3.37Å; E804-S807 WeakPolarHBondContact O-CB 3.43Å; E804-S807 PolarHBondContact O-N 3.02Å; E804-E808 PolarHBondContact O-N 3.45Å
805	T	89	Confident	87.8	Confident	58 Å²	58	63.6 Å²	63.6	36%	0.356	34%	0.343	S	S	.	.	H	α-helix	trans	-68.1	-35.4	177.7	52.2	0	0	0	0	112.4	S802 E808 M809	S802-T805 PolarHBondContact O-N 3.26Å; S802-T805 PolarHBondContact O-OG1 3.12Å; S802-T805 VanDerWaalsContact O-OG1 3.04Å; S802-T805 WeakPolarHBondContact OG-CG2 3.22Å; S802-T805 PolarHBondContact OG-N 2.73Å; S802-T805 PolarHBondContact OG-OG1 3.1Å; T805-E808 PolarHBondContact O-N 2.87Å; T805-M809 VanDerWaalsContact O-CB 3.29Å; T805-M809 WeakPolarHBondContact O-CB 3.37Å; T805-M809 WeakPolarHBondContact O-CG 3.39Å; T805-M809 PolarHBondContact O-N 2.98Å
806	L	88	Confident	88.2	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-66.1	-36.2	172.1	-67.5	176.4	0	0	0	112.6	L787 I801 S802 M803 E804 F810 V817 I821	L787-L806 HydrophobicContact CD1-CD1 4.46Å; L787-L806 HydrophobicContact CD1-CD2 3.98Å; I801-L806 HydrophobicContact CG2-CD1 3.94Å; I801-L806 HydrophobicContact CG2-CD2 4.03Å; I801-L806 HydrophobicContact CG2-CG 3.76Å; S802-L806 PolarHBondContact O-N 3.03Å; M803-L806 PolarHBondContact O-N 3.36Å; E804-L806 PolarHBondContact O-N 3.37Å; L806-F810 HydrophobicContact CD2-CE2 4.31Å; L806-F810 PolarHBondContact O-N 3.24Å; L806-V817 HydrophobicContact CB-CG1 4.14Å; L806-V817 HydrophobicContact CD1-CG1 4.45Å; L806-I821 HydrophobicContact CD1-CD1 3.76Å
807	S	90.2	Very high	88.7	Confident	23 Å²	23	60.2 Å²	60.2	16%	0.161	32%	0.319	C	S	.	.	H	α-helix	trans	-64.1	-45.4	174.7	-175.3	0	0	0	0	111.4	M803 E804 E811 L812	M803-S807 VanDerWaalsContact O-CB 3.29Å; M803-S807 WeakPolarHBondContact O-CB 3.45Å; M803-S807 PolarHBondContact O-N 2.88Å; E804-S807 WeakPolarHBondContact O-CB 3.43Å; E804-S807 PolarHBondContact O-N 3.02Å; S807-E811 VanDerWaalsContact O-CA 3.31Å; S807-E811 WeakPolarHBondContact O-CA 3.39Å; S807-E811 PolarHBondContact O-N 3.39Å; S807-L812 WeakPolarHBondContact CA-O 3.3Å; S807-L812 WeakPolarHBondContact CB-O 3.4Å; S807-L812 PolarHBondContact O-N 3.33Å; S807-L812 PolarHBondContact OG-O 3.5Å
808	E	91.1	Very high	88.9	Confident	150 Å²	150	58.4 Å²	58.4	70%	0.701	30%	0.303	S	S	*	.	H	α-helix	trans	-68.3	-42.5	176.3	-69.8	-176.2	162.5	0	0	113.2	E804 T805	E804-E808 PolarHBondContact O-N 3.45Å; T805-E808 PolarHBondContact O-N 2.87Å
809	M	87.7	Confident	89.1	Confident	83 Å²	83	57.8 Å²	57.8	41%	0.409	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-40.1	-177.3	-76.1	173.2	63.1	0	0	113.1	W748 Y790 T805	W748-M809 PolarHBondContact NE1-O 3.25Å; Y790-M809 HydrophobicContact CE1-CE 4.4Å; Y790-M809 HydrophobicContact CE2-CE 4.47Å; T805-M809 VanDerWaalsContact O-CB 3.29Å; T805-M809 WeakPolarHBondContact O-CB 3.37Å; T805-M809 WeakPolarHBondContact O-CG 3.39Å; T805-M809 PolarHBondContact O-N 2.98Å
810	F	88.3	Confident	89.3	Confident	5 Å²	5	55.1 Å²	55.1	2%	0.022	30%	0.297	C	S	.	.	H	α-helix	trans	-101.2	-1.7	-176.5	-68.7	-87.3	0	0	0	114.1	W748 Q783 L787 Y790 L806 L812	W748-F810 AromaticContact CD1-CD1 3.57Å; W748-F810 AromaticContact CD1-CE1 3.97Å; W748-F810 HydrophobicContact CG-CD1 4.26Å; Q783-F810 WeakPolarHBondContact CG-O 3.5Å; Q783-F810 PolarHBondContact NE2-O 3.45Å; Q783-F810 VanDerWaalsContact NE2-O 3.09Å; L787-F810 HydrophobicContact CB-CD1 4.06Å; L787-F810 HydrophobicContact CB-CD2 4.41Å; L787-F810 HydrophobicContact CB-CE1 4.25Å; L787-F810 HydrophobicContact CB-CG 4.16Å; L787-F810 HydrophobicContact CD1-CD2 3.79Å; L787-F810 HydrophobicContact CD1-CE2 3.82Å; L787-F810 HydrophobicContact CD1-CG 4.35Å; L787-F810 HydrophobicContact CD1-CZ 4.41Å; Y790-F810 HydrophobicContact CD1-CE2 4.11Å; Y790-F810 HydrophobicContact CD1-CZ 4.03Å; Y790-F810 HydrophobicContact CD2-CZ 4.24Å; Y790-F810 HydrophobicContact CG-CE2 4.31Å; Y790-F810 AromaticContact CG-CZ 3.76Å; Y790-F810 HydrophobicContact CG-CZ 3.76Å; L806-F810 HydrophobicContact CD2-CE2 4.31Å; L806-F810 PolarHBondContact O-N 3.24Å; F810-L812 VanDerWaalsContact C-N 3.27Å; F810-L812 HydrophobicContact CB-CD1 4.1Å; F810-L812 HydrophobicContact CB-CG 4.2Å; F810-L812 PolarHBondContact O-N 3.42Å
811	E	91.2	Very high	89.4	Confident	109 Å²	109	51.9 Å²	51.9	51%	0.509	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	39.1	-177.5	-64.3	173.2	-166.9	0	0	112.7	W748 R749 S807	W748-E811 WeakPolarHBondContact CH2-OE2 3.45Å; W748-E811 HydrophobicContact CZ2-CB 4.17Å; W748-E811 HydrophobicContact CZ2-CG 3.98Å; R749-E811 IonicContact CZ-OE1 3.48Å; R749-E811 IonicContact NH1-OE1 3.86Å; R749-E811 PolarHBondContact NH1-OE1 3.02Å; R749-E811 IonicContact NH2-OE1 3.4Å; R749-E811 PolarHBondContact NH2-OE1 3.44Å; S807-E811 VanDerWaalsContact O-CA 3.31Å; S807-E811 WeakPolarHBondContact O-CA 3.39Å; S807-E811 PolarHBondContact O-N 3.39Å
812	L	90	Very high	89.4	Confident	11 Å²	11	52.6 Å²	52.6	6%	0.058	28%	0.28	C	S	.	.			trans	-113	142.2	-177.4	-73.1	177.2	0	0	0	112.3	Q783 E784 L787 S807 F810 I814 V817	Q783-L812 HydrophobicContact CB-CD1 4.11Å; Q783-L812 HydrophobicContact CB-CD2 3.85Å; Q783-L812 HydrophobicContact CB-CG 4.01Å; E784-L812 HydrophobicContact CG-CD2 4.45Å; L787-L812 HydrophobicContact CD2-CD1 4.02Å; S807-L812 WeakPolarHBondContact CA-O 3.3Å; S807-L812 WeakPolarHBondContact CB-O 3.4Å; S807-L812 PolarHBondContact O-N 3.33Å; S807-L812 PolarHBondContact OG-O 3.5Å; F810-L812 VanDerWaalsContact C-N 3.27Å; F810-L812 HydrophobicContact CB-CD1 4.1Å; F810-L812 HydrophobicContact CB-CG 4.2Å; F810-L812 PolarHBondContact O-N 3.42Å; L812-I814 PolarHBondContact O-N 3.31Å; L812-V817 HydrophobicContact CB-CG2 3.81Å; L812-V817 HydrophobicContact CD1-CG2 4.5Å
813	E	90.1	Very high	89.4	Confident	127 Å²	127	57.1 Å²	57.1	59%	0.593	30%	0.296	S	S	*	.			trans	-61.1	134	175.7	-52.9	175.5	155.5	0	0	111.7	P815 T816 V817	E813-P815 VanDerWaalsContact C-CD 3.42Å; E813-P815 VanDerWaalsContact C-N 3.31Å; E813-P815 VanDerWaalsContact O-N 3.13Å; E813-T816 HydrophobicContact CB-CG2 4.2Å; E813-T816 WeakPolarHBondContact O-CB 3.42Å; E813-T816 PolarHBondContact O-N 3.45Å; E813-T816 PolarHBondContact O-OG1 2.85Å; E813-V817 PolarHBondContact O-N 3.18Å
814	I	87.9	Confident	89.4	Confident	59 Å²	59	57 Å²	57	30%	0.303	30%	0.295	S	S	.	.	H	α-helix	trans	-48	-41.9	179.9	-57.1	172.4	0	0	0	113.5	M803 L812 T816 V817 H818	M803-I814 HydrophobicContact CE-CG2 4.05Å; L812-I814 PolarHBondContact O-N 3.31Å; I814-T816 VanDerWaalsContact C-N 3.3Å; I814-T816 PolarHBondContact O-N 3.28Å; I814-V817 PolarHBondContact O-N 2.99Å; I814-H818 WeakPolarHBondContact O-CB 3.42Å; I814-H818 PolarHBondContact O-N 2.71Å
815	P	91.9	Very high	89.3	Confident	95 Å²	95	53.6 Å²	53.6	62%	0.617	28%	0.28	S	S	*	.	H	α-helix	trans	-65.1	-27.4	176.7	-23.8	36.3	0	0	0	114.7	E813 S819	E813-P815 VanDerWaalsContact C-CD 3.42Å; E813-P815 VanDerWaalsContact C-N 3.31Å; E813-P815 VanDerWaalsContact O-N 3.13Å; P815-S819 WeakPolarHBondContact O-CB 3.48Å; P815-S819 PolarHBondContact O-N 3.01Å; P815-S819 VanDerWaalsContact O-N 3.08Å
816	T	90.4	Very high	89.4	Confident	19 Å²	19	57.2 Å²	57.2	12%	0.117	30%	0.296	C	S	.	.	H	α-helix	trans	-76.4	-44.7	176.6	67.1	0	0	0	0	110.6	E813 I814 H818 S819 I820	E813-T816 HydrophobicContact CB-CG2 4.2Å; E813-T816 WeakPolarHBondContact O-CB 3.42Å; E813-T816 PolarHBondContact O-N 3.45Å; E813-T816 PolarHBondContact O-OG1 2.85Å; I814-T816 VanDerWaalsContact C-N 3.3Å; I814-T816 PolarHBondContact O-N 3.28Å; T816-H818 VanDerWaalsContact C-N 3.31Å; T816-H818 PolarHBondContact O-N 3.08Å; T816-S819 PolarHBondContact O-N 2.93Å; T816-S819 VanDerWaalsContact O-N 3.14Å; T816-I820 WeakPolarHBondContact O-CD1 3.43Å; T816-I820 VanDerWaalsContact O-CG1 3.28Å; T816-I820 WeakPolarHBondContact O-CG1 3.34Å; T816-I820 PolarHBondContact O-N 2.74Å
817	V	90.6	Very high	89.3	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-55.5	-46.4	170.2	178.8	0	0	0	0	110.4	L787 M803 L806 L812 E813 I814 S819 I820 I821	L787-V817 HydrophobicContact CD2-CG1 4.32Å; L787-V817 HydrophobicContact CD2-CG2 4.22Å; M803-V817 HydrophobicContact CE-CG1 4.48Å; L806-V817 HydrophobicContact CB-CG1 4.14Å; L806-V817 HydrophobicContact CD1-CG1 4.45Å; L812-V817 HydrophobicContact CB-CG2 3.81Å; L812-V817 HydrophobicContact CD1-CG2 4.5Å; E813-V817 PolarHBondContact O-N 3.18Å; I814-V817 PolarHBondContact O-N 2.99Å; V817-S819 PolarHBondContact O-N 3.21Å; V817-I820 PolarHBondContact O-N 2.71Å; V817-I821 HydrophobicContact CG1-CD1 3.7Å; V817-I821 HydrophobicContact CG1-CG1 4.44Å; V817-I821 WeakPolarHBondContact O-CG1 3.48Å; V817-I821 PolarHBondContact O-N 2.98Å
818	H	89.4	Confident	88.8	Confident	73 Å²	73	68.1 Å²	68.1	34%	0.338	35%	0.347	S	S	.	.	H	α-helix	trans	-54.4	-49.8	174.1	-172.4	-79.8	0	0	0	112.2	M803 I814 T816 S822 L834	M803-H818 VanDerWaalsContact CE-CA 3.46Å; M803-H818 HydrophobicContact CE-CB 3.5Å; M803-H818 VanDerWaalsContact CE-CB 3.5Å; I814-H818 WeakPolarHBondContact O-CB 3.42Å; I814-H818 PolarHBondContact O-N 2.71Å; T816-H818 VanDerWaalsContact C-N 3.31Å; T816-H818 PolarHBondContact O-N 3.08Å; H818-S822 PolarHBondContact CE1-OG 2.98Å; H818-S822 PolarHBondContact ND1-OG 2.93Å; H818-S822 WeakPolarHBondContact O-CB 3.43Å; H818-S822 PolarHBondContact O-N 3.2Å; H818-S822 PolarHBondContact O-OG 3.05Å; H818-L834 WeakPolarHBondContact NE2-CD2 3.23Å
819	S	90.9	Very high	88.2	Confident	75 Å²	75	64 Å²	64	52%	0.524	33%	0.328	S	S	.	.	H	α-helix	trans	-64.5	-41.2	-177.8	-170.6	0	0	0	0	112.2	P815 T816 V817 K823	P815-S819 WeakPolarHBondContact O-CB 3.48Å; P815-S819 PolarHBondContact O-N 3.01Å; P815-S819 VanDerWaalsContact O-N 3.08Å; T816-S819 PolarHBondContact O-N 2.93Å; T816-S819 VanDerWaalsContact O-N 3.14Å; V817-S819 PolarHBondContact O-N 3.21Å; S819-K823 VanDerWaalsContact O-CB 3.24Å; S819-K823 WeakPolarHBondContact O-CB 3.32Å; S819-K823 PolarHBondContact O-N 3.39Å
820	I	90.1	Very high	87.9	Confident	23 Å²	23	60.4 Å²	60.4	12%	0.118	31%	0.31	C	S	.	.	H	α-helix	trans	-64	-52.5	178.2	-68.1	161.6	0	0	0	110.7	E784 L787 R788 T816 V817 K823 M824	E784-I820 HydrophobicContact CB-CD1 4.15Å; E784-I820 HydrophobicContact CG-CD1 3.96Å; L787-I820 HydrophobicContact CD2-CD1 4.28Å; L787-I820 HydrophobicContact CD2-CG2 4.48Å; R788-I820 HydrophobicContact CG-CG2 3.61Å; T816-I820 WeakPolarHBondContact O-CD1 3.43Å; T816-I820 VanDerWaalsContact O-CG1 3.28Å; T816-I820 WeakPolarHBondContact O-CG1 3.34Å; T816-I820 PolarHBondContact O-N 2.74Å; V817-I820 PolarHBondContact O-N 2.71Å; I820-K823 PolarHBondContact O-N 2.73Å; I820-M824 HydrophobicContact CG2-SD 3.98Å; I820-M824 WeakPolarHBondContact O-CG 3.27Å; I820-M824 PolarHBondContact O-N 3.01Å
821	I	88.6	Confident	87.5	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-67.1	-42.6	-177.5	-62.8	176.3	0	0	0	110.8	L791 L806 V817 K823 M824 I825 L830 V841	L791-I821 HydrophobicContact CD1-CD1 4.24Å; L791-I821 HydrophobicContact CD1-CG1 3.95Å; L806-I821 HydrophobicContact CD1-CD1 3.76Å; V817-I821 HydrophobicContact CG1-CD1 3.7Å; V817-I821 HydrophobicContact CG1-CG1 4.44Å; V817-I821 WeakPolarHBondContact O-CG1 3.48Å; V817-I821 PolarHBondContact O-N 2.98Å; I821-K823 VanDerWaalsContact C-N 3.25Å; I821-K823 PolarHBondContact O-N 3.16Å; I821-M824 PolarHBondContact O-N 2.58Å; I821-M824 VanDerWaalsContact O-N 3.15Å; I821-I825 HydrophobicContact CG2-CD1 3.95Å; I821-I825 WeakPolarHBondContact O-CG1 3.45Å; I821-I825 PolarHBondContact O-N 3.43Å; I821-L830 HydrophobicContact CG2-CD2 4.41Å; I821-V841 HydrophobicContact CD1-CG2 4.07Å; I821-V841 HydrophobicContact CG2-CG1 4.33Å; I821-V841 HydrophobicContact CG2-CG2 3.95Å
822	S	88.3	Confident	87.1	Confident	31 Å²	31	59.9 Å²	59.9	22%	0.217	31%	0.31	C	S	.	.	H	α-helix	trans	-57.1	-41.2	174.5	-60.8	0	0	0	0	111.6	H818 I825 I826	H818-S822 PolarHBondContact CE1-OG 2.98Å; H818-S822 PolarHBondContact ND1-OG 2.93Å; H818-S822 WeakPolarHBondContact O-CB 3.43Å; H818-S822 PolarHBondContact O-N 3.2Å; H818-S822 PolarHBondContact O-OG 3.05Å; S822-I825 PolarHBondContact O-N 3.46Å; S822-I826 WeakPolarHBondContact O-CB 3.32Å; S822-I826 WeakPolarHBondContact O-CD1 3.21Å; S822-I826 WeakPolarHBondContact O-CG1 3.5Å; S822-I826 PolarHBondContact O-N 3.19Å
823	K	90.8	Very high	86.9	Confident	129 Å²	129	61.8 Å²	61.8	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-69.3	-36.2	178.1	-173.1	177.6	178.7	-174.5	0	112.6	S819 I820 I821 I826 N827	S819-K823 VanDerWaalsContact O-CB 3.24Å; S819-K823 WeakPolarHBondContact O-CB 3.32Å; S819-K823 PolarHBondContact O-N 3.39Å; I820-K823 PolarHBondContact O-N 2.73Å; I821-K823 VanDerWaalsContact C-N 3.25Å; I821-K823 PolarHBondContact O-N 3.16Å; K823-I826 PolarHBondContact O-N 3.39Å; K823-N827 VanDerWaalsContact O-CB 3.29Å; K823-N827 WeakPolarHBondContact O-CB 3.39Å; K823-N827 VanDerWaalsContact O-CG 3.25Å; K823-N827 PolarHBondContact O-N 2.98Å
824	M	84.4	Confident	86.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.8	-44.3	173.8	-69.6	166.2	75.6	0	0	111.5	R788 L791 F792 I820 I821 N827 E828 E829 L830	R788-M824 HydrophobicContact CB-SD 4.48Å; R788-M824 HydrophobicContact CG-SD 3.84Å; L791-M824 HydrophobicContact CB-CE 3.97Å; L791-M824 HydrophobicContact CD1-CE 4.13Å; L791-M824 HydrophobicContact CD1-SD 4.11Å; F792-M824 HydrophobicContact CD1-CE 4.05Å; F792-M824 HydrophobicContact CE1-CE 3.54Å; F792-M824 HydrophobicContact CE2-CE 4.37Å; F792-M824 HydrophobicContact CZ-CE 3.73Å; I820-M824 HydrophobicContact CG2-SD 3.98Å; I820-M824 WeakPolarHBondContact O-CG 3.27Å; I820-M824 PolarHBondContact O-N 3.01Å; I821-M824 PolarHBondContact O-N 2.58Å; I821-M824 VanDerWaalsContact O-N 3.15Å; M824-N827 PolarHBondContact O-N 2.82Å; M824-E828 PolarHBondContact O-N 3.26Å; M824-E829 HydrophobicContact CB-CB 4.19Å; M824-E829 WeakPolarHBondContact O-CB 3.5Å; M824-E829 PolarHBondContact O-N 3.16Å; M824-L830 HydrophobicContact CB-CB 3.95Å; M824-L830 HydrophobicContact CE-CB 4.38Å; M824-L830 HydrophobicContact CE-CD2 4.45Å; M824-L830 PolarHBondContact O-N 3.13Å
825	I	87.3	Confident	86.6	Confident	49 Å²	49	58.3 Å²	58.3	25%	0.251	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-44.4	176.9	-64.6	166.7	0	0	0	110.7	I821 S822 N827 E828 A832	I821-I825 HydrophobicContact CG2-CD1 3.95Å; I821-I825 WeakPolarHBondContact O-CG1 3.45Å; I821-I825 PolarHBondContact O-N 3.43Å; S822-I825 PolarHBondContact O-N 3.46Å; I825-N827 VanDerWaalsContact C-N 3.32Å; I825-N827 PolarHBondContact O-N 3.47Å; I825-E828 PolarHBondContact O-N 3.39Å; I825-E828 VanDerWaalsContact O-N 3.15Å; I825-A832 HydrophobicContact CD1-CB 4.25Å; I825-A832 WeakPolarHBondContact CD1-O 3.28Å; I825-A832 HydrophobicContact CG1-CB 4.31Å; I825-A832 WeakPolarHBondContact CG2-O 3.1Å
826	I	89.8	Confident	86	Confident	135 Å²	135	61.3 Å²	61.3	69%	0.692	32%	0.316	S	S	*	.	H	α-helix	trans	-65.5	-33	178.2	-70.5	164.7	0	0	0	112.6	S822 K823 E828	S822-I826 WeakPolarHBondContact O-CB 3.32Å; S822-I826 WeakPolarHBondContact O-CD1 3.21Å; S822-I826 WeakPolarHBondContact O-CG1 3.5Å; S822-I826 PolarHBondContact O-N 3.19Å; K823-I826 PolarHBondContact O-N 3.39Å; I826-E828 PolarHBondContact O-N 2.88Å
827	N	85.9	Confident	85.6	Confident	81 Å²	81	65.9 Å²	65.9	43%	0.433	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	0.4	176.6	-76	4.1	0	0	0	113.4	K823 M824 I825 E829	K823-N827 VanDerWaalsContact O-CB 3.29Å; K823-N827 WeakPolarHBondContact O-CB 3.39Å; K823-N827 VanDerWaalsContact O-CG 3.25Å; K823-N827 PolarHBondContact O-N 2.98Å; M824-N827 PolarHBondContact O-N 2.82Å; I825-N827 VanDerWaalsContact C-N 3.32Å; I825-N827 PolarHBondContact O-N 3.47Å; N827-E829 HydrophobicContact CB-CB 4.32Å; N827-E829 HydrophobicContact CB-CG 3.75Å; N827-E829 WeakPolarHBondContact CB-OE1 3.35Å; N827-E829 PolarHBondContact ND2-OE1 2.73Å; N827-E829 PolarHBondContact O-N 3.08Å
828	E	80.4	Confident	85.1	Confident	172 Å²	172	69.9 Å²	69.9	80%	0.804	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	21.2	-170.3	-55.3	179.4	170.1	0	0	112.8	M824 I825 I826	M824-E828 PolarHBondContact O-N 3.26Å; I825-E828 PolarHBondContact O-N 3.39Å; I825-E828 VanDerWaalsContact O-N 3.15Å; I826-E828 PolarHBondContact O-N 2.88Å
829	E	78.8	Confident	84.8	Confident	63 Å²	63	70.2 Å²	70.2	29%	0.294	37%	0.372	S	S	.	.	S	Bend	trans	-75.9	-23.9	176.8	-77.4	172.6	-147.8	0	0	112.3	R788 F792 M824 N827	R788-E829 IonicContact CZ-OE2 2.73Å; R788-E829 IonicContact NH1-OE2 2.97Å; R788-E829 PolarHBondContact NH1-OE2 3.32Å; R788-E829 IonicContact NH2-OE1 2.77Å; R788-E829 IonicContact NH2-OE2 2.77Å; R788-E829 PolarHBondContact NH2-OE2 3.39Å; F792-E829 HydrophobicContact CE1-CB 3.95Å; F792-E829 WeakPolarHBondContact CE1-O 3.44Å; F792-E829 HydrophobicContact CZ-CB 4.18Å; F792-E829 HydrophobicContact CZ-CG 4.47Å; M824-E829 HydrophobicContact CB-CB 4.19Å; M824-E829 WeakPolarHBondContact O-CB 3.5Å; M824-E829 PolarHBondContact O-N 3.16Å; N827-E829 HydrophobicContact CB-CB 4.32Å; N827-E829 HydrophobicContact CB-CG 3.75Å; N827-E829 WeakPolarHBondContact CB-OE1 3.35Å; N827-E829 PolarHBondContact ND2-OE1 2.73Å; N827-E829 PolarHBondContact O-N 3.08Å
830	L	79.9	Confident	84.6	Confident	9 Å²	9	68.2 Å²	68.2	5%	0.047	36%	0.357	C	S	.	.	S	Bend	trans	-138.8	123.9	-177	-176.9	69.8	0	0	0	111.2	I821 M824 A832 M843	I821-L830 HydrophobicContact CG2-CD2 4.41Å; M824-L830 HydrophobicContact CB-CB 3.95Å; M824-L830 HydrophobicContact CE-CB 4.38Å; M824-L830 HydrophobicContact CE-CD2 4.45Å; M824-L830 PolarHBondContact O-N 3.13Å; L830-A832 VanDerWaalsContact C-N 3.26Å; L830-A832 HydrophobicContact CD2-CB 3.94Å; L830-A832 HydrophobicContact CG-CB 3.88Å; L830-A832 PolarHBondContact O-N 3.13Å; L830-M843 HydrophobicContact CD1-CE 4.48Å; L830-M843 HydrophobicContact CD1-SD 4.42Å
831	M	79.9	Confident	84.4	Confident	96 Å²	96	67.2 Å²	67.2	47%	0.473	35%	0.352	S	S	.	.			trans	-79.7	67.8	-179.8	-62.4	-59.1	-67.6	0	0	111.5	H844	M831-H844 WeakPolarHBondContact O-CB 3.43Å; M831-H844 PolarHBondContact O-N 3.36Å
832	A	83.9	Confident	84.3	Confident	7 Å²	7	69.8 Å²	69.8	6%	0.058	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	159.3	-174.4	0	0	0	0	0	113.4	I825 L830 V841 V842 M843	I825-A832 HydrophobicContact CD1-CB 4.25Å; I825-A832 WeakPolarHBondContact CD1-O 3.28Å; I825-A832 HydrophobicContact CG1-CB 4.31Å; I825-A832 WeakPolarHBondContact CG2-O 3.1Å; L830-A832 VanDerWaalsContact C-N 3.26Å; L830-A832 HydrophobicContact CD2-CB 3.94Å; L830-A832 HydrophobicContact CG-CB 3.88Å; L830-A832 PolarHBondContact O-N 3.13Å; A832-V841 HydrophobicContact CB-CG1 3.72Å; A832-V842 WeakPolarHBondContact CA-O 3.24Å; A832-M843 HydrophobicContact CB-SD 3.57Å; A832-M843 VanDerWaalsContact CB-SD 3.57Å
833	S	84.7	Confident	84.1	Confident	50 Å²	50	68.8 Å²	68.8	35%	0.35	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.2	169.2	53.2	0	0	0	0	111	V842 H844	S833-V842 PolarHBondContact N-O 3.43Å; S833-V842 PolarHBondContact O-N 3.19Å; S833-H844 WeakPolarHBondContact CB-NE2 3.17Å; S833-H844 PolarHBondContact OG-NE2 3Å
834	L	85.7	Confident	83.6	Confident	51 Å²	51	66.6 Å²	66.6	27%	0.267	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.3	175.4	178.8	68.6	0	0	0	110.9	M803 H818 V841	M803-L834 HydrophobicContact CG-CD1 4.48Å; M803-L834 HydrophobicContact SD-CD1 3.5Å; M803-L834 VanDerWaalsContact SD-CD1 3.5Å; H818-L834 WeakPolarHBondContact NE2-CD2 3.23Å; L834-V841 HydrophobicContact CD1-CG2 4Å
835	D	87.6	Confident	82.8	Confident	63 Å²	63	76.4 Å²	76.4	34%	0.337	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	112.1	166	-178.1	64.4	0	0	0	110.5	P837 T838 Q839 T840	D835-P837 WeakPolarHBondContact OD1-CD 3.38Å; D835-T838 VanDerWaalsContact OD2-CB 3.31Å; D835-T838 WeakPolarHBondContact OD2-CB 3.4Å; D835-T838 VanDerWaalsContact OD2-CG2 3.31Å; D835-T838 WeakPolarHBondContact OD2-CG2 3.42Å; D835-T838 PolarHBondContact OD2-N 3.22Å; D835-T838 VanDerWaalsContact OD2-N 3.07Å; D835-T838 PolarHBondContact OD2-OG1 3.33Å; D835-Q839 WeakPolarHBondContact O-CA 3.45Å; D835-Q839 PolarHBondContact O-N 3.09Å; D835-T840 PolarHBondContact N-O 3Å; D835-T840 PolarHBondContact O-N 2.78Å
836	Q	77.7	Confident	82.1	Confident	158 Å²	158	78.3 Å²	78.3	74%	0.738	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-35.4	-171	-162.3	169.7	26.2	0	0	114.8
837	P	83.7	Confident	81.3	Confident	114 Å²	114	75.6 Å²	75.6	74%	0.74	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-36.5	175.6	-23	35.3	0	0	0	114.5	D835	D835-P837 WeakPolarHBondContact OD1-CD 3.38Å
838	T	79.1	Confident	81	Confident	85 Å²	85	74.5 Å²	74.5	52%	0.521	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-10.4	-178.7	63.4	0	0	0	0	114.3	D835 T840	D835-T838 VanDerWaalsContact OD2-CB 3.31Å; D835-T838 WeakPolarHBondContact OD2-CB 3.4Å; D835-T838 VanDerWaalsContact OD2-CG2 3.31Å; D835-T838 WeakPolarHBondContact OD2-CG2 3.42Å; D835-T838 PolarHBondContact OD2-N 3.22Å; D835-T838 VanDerWaalsContact OD2-N 3.07Å; D835-T838 PolarHBondContact OD2-OG1 3.33Å; T838-T840 PolarHBondContact O-N 3Å; T838-T840 PolarHBondContact OG1-OG1 2.71Å
839	Q	84	Confident	81.2	Confident	80 Å²	80	70.1 Å²	70.1	37%	0.374	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	42.2	-171.5	-54.4	-175	40.9	0	0	112.1	M803 D835	M803-Q839 HydrophobicContact CB-CB 4.36Å; M803-Q839 WeakPolarHBondContact CB-O 3.34Å; M803-Q839 VanDerWaalsContact CG-O 3.31Å; M803-Q839 WeakPolarHBondContact CG-O 3.43Å; M803-Q839 PolarHBondContact N-O 3.1Å; M803-Q839 HydrophobicContact SD-CB 4.11Å; D835-Q839 WeakPolarHBondContact O-CA 3.45Å; D835-Q839 PolarHBondContact O-N 3.09Å
840	T	85.8	Confident	81.3	Confident	33 Å²	33	71.1 Å²	71.1	20%	0.202	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.7	175.5	63.3	0	0	0	0	111.5	I801 D835 T838	I801-T840 CarbonylContact O-C 3.54Å; I801-T840 WeakPolarHBondContact O-CA 3.42Å; D835-T840 PolarHBondContact N-O 3Å; D835-T840 PolarHBondContact O-N 2.78Å; T838-T840 PolarHBondContact O-N 3Å; T838-T840 PolarHBondContact OG1-OG1 2.71Å
841	V	86.3	Confident	81.6	Confident	1 Å²	1	77 Å²	77	1%	0.006	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.7	172.7	-179	0	0	0	0	106.9	S800 I801 M803 I821 A832 L834 M843	S800-V841 CarbonylContact C-O 3.47Å; S800-V841 WeakPolarHBondContact CA-O 3.14Å; I801-V841 PolarHBondContact N-O 3.23Å; I801-V841 PolarHBondContact O-N 3.33Å; M803-V841 HydrophobicContact CG-CG2 4.35Å; I821-V841 HydrophobicContact CD1-CG2 4.07Å; I821-V841 HydrophobicContact CG2-CG1 4.33Å; I821-V841 HydrophobicContact CG2-CG2 3.95Å; A832-V841 HydrophobicContact CB-CG1 3.72Å; L834-V841 HydrophobicContact CD1-CG2 4Å; V841-M843 HydrophobicContact CG1-CE 4.24Å; V841-M843 HydrophobicContact CG1-SD 4.09Å
842	V	86.7	Confident	82	Confident	58 Å²	58	77.3 Å²	77.3	35%	0.352	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.3	177.7	-178.9	0	0	0	0	108.4	A832 S833	A832-V842 WeakPolarHBondContact CA-O 3.24Å; S833-V842 PolarHBondContact N-O 3.43Å; S833-V842 PolarHBondContact O-N 3.19Å
843	M	83.8	Confident	82	Confident	10 Å²	10	77.9 Å²	77.9	5%	0.049	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	141.7	179.7	-57.1	-52	-170.8	0	0	110.3	L791 Y798 D799 I801 L830 A832 V841	L791-M843 HydrophobicContact CD2-CE 4.32Å; Y798-M843 VanDerWaalsContact O-CB 3.28Å; Y798-M843 WeakPolarHBondContact O-CB 3.09Å; Y798-M843 WeakPolarHBondContact O-CG 3.2Å; D799-M843 PolarHBondContact O-N 3.19Å; I801-M843 HydrophobicContact CD1-CE 3.65Å; I801-M843 HydrophobicContact CG1-CE 4.25Å; L830-M843 HydrophobicContact CD1-CE 4.48Å; L830-M843 HydrophobicContact CD1-SD 4.42Å; A832-M843 HydrophobicContact CB-SD 3.57Å; A832-M843 VanDerWaalsContact CB-SD 3.57Å; V841-M843 HydrophobicContact CG1-CE 4.24Å; V841-M843 HydrophobicContact CG1-SD 4.09Å
844	H	80.4	Confident	82	Confident	83 Å²	83	80.8 Å²	80.8	38%	0.384	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-89.3	118.3	172.9	-64	-173.8	0	0	0	106.9	M831 S833 T846	M831-H844 WeakPolarHBondContact O-CB 3.43Å; M831-H844 PolarHBondContact O-N 3.36Å; S833-H844 WeakPolarHBondContact CB-NE2 3.17Å; S833-H844 PolarHBondContact OG-NE2 3Å; H844-T846 HydrophobicContact CB-CG2 4.43Å; H844-T846 PolarHBondContact O-N 3.3Å; H844-T846 PolarHBondContact O-OG1 3.45Å
845	R	68.1	Low	82.2	Confident	206 Å²	206	81.1 Å²	81.1	78%	0.777	44%	0.436	S	S	*	.	S	Bend	trans	-72.5	48.6	-179.2	-59.2	-167.7	-170.6	-168.2	6.8	113.2	D799	D799-R845 IonicContact OD1-CZ 3.51Å; D799-R845 VanDerWaalsContact OD1-CZ 3.24Å; D799-R845 IonicContact OD1-NE 3.53Å; D799-R845 PolarHBondContact OD1-NE 2.73Å; D799-R845 IonicContact OD1-NH2 2.7Å; D799-R845 PolarHBondContact OD1-NH2 3.46Å; D799-R845 IonicContact OD2-CZ 3.48Å; D799-R845 IonicContact OD2-NE 3.48Å; D799-R845 IonicContact OD2-NH2 3.74Å; D799-R845 PolarHBondContact OD2-NH2 2.9Å
846	T	73	Confident	82.1	Confident	89 Å²	89	83 Å²	83	55%	0.546	45%	0.446	S	S	.	.			trans	-101.9	1.5	179.7	50.1	0	0	0	0	112.6	H844	H844-T846 HydrophobicContact CB-CG2 4.43Å; H844-T846 PolarHBondContact O-N 3.3Å; H844-T846 PolarHBondContact O-OG1 3.45Å
847	E	71.4	Confident	82.5	Confident	79 Å²	79	77.9 Å²	77.9	37%	0.369	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-60.1	129.8	-179.9	-70.6	-170	-161.1	0	0	112	S795 S796	S795-E847 WeakPolarHBondContact CB-OE1 3.39Å; S795-E847 PolarHBondContact OG-OE1 3.08Å; S796-E847 WeakPolarHBondContact CA-OE2 3.49Å; S796-E847 WeakPolarHBondContact CB-OE2 3.1Å; S796-E847 PolarHBondContact N-OE1 2.79Å; S796-E847 VanDerWaalsContact N-OE1 3.16Å; S796-E847 PolarHBondContact N-OE2 2.93Å
848	P	79.8	Confident	82.7	Confident	58 Å²	58	77.3 Å²	77.3	38%	0.377	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-68.8	133.3	-179.2	26.3	-34.9	0	0	0	112.5	Q852 N853 L856	P848-Q852 HydrophobicContact CB-CB 3.84Å; P848-N853 VanDerWaalsContact CB-OD1 3.31Å; P848-N853 WeakPolarHBondContact CB-OD1 3.39Å; P848-N853 WeakPolarHBondContact CG-OD1 3.19Å; P848-N853 PolarHBondContact O-ND2 3.3Å; P848-L856 HydrophobicContact CB-CD1 4.39Å
849	T	84.7	Confident	83.3	Confident	79 Å²	79	76.1 Å²	76.1	49%	0.485	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-61.4	160.8	171.5	62.2	0	0	0	0	111.9	L851 Q852 N853	T849-L851 PolarHBondContact O-N 2.86Å; T849-L851 VanDerWaalsContact O-N 3.12Å; T849-Q852 CarbonylContact O-C 3.51Å; T849-Q852 WeakPolarHBondContact O-CA 2.98Å; T849-Q852 WeakPolarHBondContact O-CB 3.31Å; T849-Q852 PolarHBondContact O-N 2.89Å; T849-Q852 PolarHBondContact OG1-OE1 3.48Å; T849-N853 PolarHBondContact O-N 3.12Å
850	S	80.5	Confident	83.4	Confident	84 Å²	84	75.5 Å²	75.5	59%	0.587	41%	0.407	S	S	*	.	H	α-helix	trans	-54.3	-34.3	179.1	57.4	0	0	0	0	114.1	M854	S850-M854 WeakPolarHBondContact O-CE 3.35Å; S850-M854 WeakPolarHBondContact O-CG 3.43Å; S850-M854 PolarHBondContact O-N 2.78Å
851	L	87.5	Confident	83.5	Confident	132 Å²	132	78.8 Å²	78.8	69%	0.691	42%	0.419	S	S	*	.	H	α-helix	trans	-68.2	-40.6	173.3	-71.1	170.9	0	0	0	112.3	T849 M854 A855	T849-L851 PolarHBondContact O-N 2.86Å; T849-L851 VanDerWaalsContact O-N 3.12Å; L851-M854 HydrophobicContact CD2-CE 4.03Å; L851-M854 PolarHBondContact O-N 2.91Å; L851-A855 WeakPolarHBondContact O-CB 3.42Å; L851-A855 PolarHBondContact O-N 3.3Å
852	Q	86.9	Confident	83.8	Confident	103 Å²	103	83.1 Å²	83.1	48%	0.481	44%	0.442	S	S	.	.	H	α-helix	trans	-67.3	-40	174.7	-71.6	161.3	-52.1	0	0	111	P848 T849 A855 L856	P848-Q852 HydrophobicContact CB-CB 3.84Å; T849-Q852 CarbonylContact O-C 3.51Å; T849-Q852 WeakPolarHBondContact O-CA 2.98Å; T849-Q852 WeakPolarHBondContact O-CB 3.31Å; T849-Q852 PolarHBondContact O-N 2.89Å; T849-Q852 PolarHBondContact OG1-OE1 3.48Å; Q852-A855 WeakPolarHBondContact O-CB 3.38Å; Q852-A855 PolarHBondContact O-N 3.42Å; Q852-A855 VanDerWaalsContact O-N 3.17Å; Q852-L856 WeakPolarHBondContact O-CG 3.27Å; Q852-L856 PolarHBondContact O-N 3.26Å
853	N	83.8	Confident	84.1	Confident	20 Å²	20	82.2 Å²	82.2	11%	0.107	44%	0.444	C	S	.	.	H	α-helix	trans	-62.9	-43.2	174	-76.1	-20.1	0	0	0	112.7	F702 P848 T849 A855 L856 Q857	F702-N853 HydrophobicContact CB-CB 4.4Å; F702-N853 HydrophobicContact CD1-CB 4.35Å; P848-N853 VanDerWaalsContact CB-OD1 3.31Å; P848-N853 WeakPolarHBondContact CB-OD1 3.39Å; P848-N853 WeakPolarHBondContact CG-OD1 3.19Å; P848-N853 PolarHBondContact O-ND2 3.3Å; T849-N853 PolarHBondContact O-N 3.12Å; N853-A855 VanDerWaalsContact C-N 3.3Å; N853-A855 PolarHBondContact O-N 2.64Å; N853-L856 PolarHBondContact O-N 2.7Å; N853-Q857 WeakPolarHBondContact O-CG 3.46Å; N853-Q857 PolarHBondContact O-N 3Å
854	M	85.2	Confident	84.4	Confident	110 Å²	110	83.4 Å²	83.4	54%	0.542	45%	0.453	S	S	.	.	H	α-helix	trans	-63.4	-35.5	172.9	-75.1	-175.2	-75.6	0	0	112.4	S850 L851 L858	S850-M854 WeakPolarHBondContact O-CE 3.35Å; S850-M854 WeakPolarHBondContact O-CG 3.43Å; S850-M854 PolarHBondContact O-N 2.78Å; L851-M854 HydrophobicContact CD2-CE 4.03Å; L851-M854 PolarHBondContact O-N 2.91Å; M854-L858 VanDerWaalsContact O-CB 3.27Å; M854-L858 WeakPolarHBondContact O-CB 3.33Å; M854-L858 PolarHBondContact O-N 3.49Å
855	A	89.6	Confident	85	Confident	59 Å²	59	83.9 Å²	83.9	49%	0.488	46%	0.458	S	S	.	.	H	α-helix	trans	-68.2	-40.1	174.2	0	0	0	0	0	112.7	L851 Q852 N853 L858 A859	L851-A855 WeakPolarHBondContact O-CB 3.42Å; L851-A855 PolarHBondContact O-N 3.3Å; Q852-A855 WeakPolarHBondContact O-CB 3.38Å; Q852-A855 PolarHBondContact O-N 3.42Å; Q852-A855 VanDerWaalsContact O-N 3.17Å; N853-A855 VanDerWaalsContact C-N 3.3Å; N853-A855 PolarHBondContact O-N 2.64Å; A855-L858 PolarHBondContact O-N 2.98Å; A855-A859 WeakPolarHBondContact O-CB 3.46Å; A855-A859 PolarHBondContact O-N 2.97Å
856	L	87	Confident	86.3	Confident	103 Å²	103	77.7 Å²	77.7	54%	0.539	44%	0.443	S	S	.	.	H	α-helix	trans	-64.1	-48.5	174.7	-71.7	167.9	0	0	0	111.4	P848 Q852 N853 L858 A859 E860	P848-L856 HydrophobicContact CB-CD1 4.39Å; Q852-L856 WeakPolarHBondContact O-CG 3.27Å; Q852-L856 PolarHBondContact O-N 3.26Å; N853-L856 PolarHBondContact O-N 2.7Å; L856-L858 VanDerWaalsContact C-N 3.27Å; L856-L858 PolarHBondContact O-N 2.84Å; L856-A859 WeakPolarHBondContact O-CB 3.45Å; L856-A859 PolarHBondContact O-N 3.17Å; L856-A859 VanDerWaalsContact O-N 3.14Å; L856-E860 PolarHBondContact O-N 2.92Å
857	Q	85.3	Confident	87.3	Confident	50 Å²	50	77 Å²	77	23%	0.234	43%	0.434	C	S	.	.	H	α-helix	trans	-58.4	-38.4	173.4	-72.8	-175.3	18	0	0	112.5	F702 A704 N853 K861	F702-Q857 WeakPolarHBondContact O-CG 3.42Å; F702-Q857 PolarHBondContact O-NE2 3.14Å; A704-Q857 HydrophobicContact CB-CB 4.13Å; A704-Q857 HydrophobicContact CB-CG 4.13Å; N853-Q857 WeakPolarHBondContact O-CG 3.46Å; N853-Q857 PolarHBondContact O-N 3Å; Q857-K861 WeakPolarHBondContact O-CB 3.46Å; Q857-K861 WeakPolarHBondContact O-CD 3.36Å; Q857-K861 VanDerWaalsContact O-CG 3.25Å; Q857-K861 WeakPolarHBondContact O-CG 3.48Å; Q857-K861 PolarHBondContact O-N 3.03Å
858	L	88	Confident	88.4	Confident	102 Å²	102	76.4 Å²	76.4	53%	0.534	43%	0.433	S	S	.	.	H	α-helix	trans	-70.1	-38	177.2	-174.8	61.5	0	0	0	111.2	M854 A855 L856 K861 L862	M854-L858 VanDerWaalsContact O-CB 3.27Å; M854-L858 WeakPolarHBondContact O-CB 3.33Å; M854-L858 PolarHBondContact O-N 3.49Å; A855-L858 PolarHBondContact O-N 2.98Å; L856-L858 VanDerWaalsContact C-N 3.27Å; L856-L858 PolarHBondContact O-N 2.84Å; L858-K861 PolarHBondContact O-N 3.48Å; L858-L862 HydrophobicContact CD1-CG 4.4Å; L858-L862 HydrophobicContact CG-CD1 4.05Å; L858-L862 HydrophobicContact CG-CG 4.39Å; L858-L862 WeakPolarHBondContact O-CB 3.23Å; L858-L862 VanDerWaalsContact O-CG 3.23Å; L858-L862 WeakPolarHBondContact O-CG 3.33Å; L858-L862 PolarHBondContact O-N 3.32Å
859	A	90.5	Very high	89	Confident	59 Å²	59	78.5 Å²	78.5	49%	0.488	44%	0.441	S	S	.	.	H	α-helix	trans	-63.5	-44.2	174	0	0	0	0	0	112	A855 L856 K861 L862 G863	A855-A859 WeakPolarHBondContact O-CB 3.46Å; A855-A859 PolarHBondContact O-N 2.97Å; L856-A859 WeakPolarHBondContact O-CB 3.45Å; L856-A859 PolarHBondContact O-N 3.17Å; L856-A859 VanDerWaalsContact O-N 3.14Å; A859-K861 PolarHBondContact O-N 2.8Å; A859-L862 PolarHBondContact O-N 3.3Å; A859-G863 PolarHBondContact O-N 2.86Å
860	E	87.4	Confident	89.4	Confident	68 Å²	68	80 Å²	80	32%	0.318	44%	0.443	S	S	.	.	H	α-helix	trans	-58.1	-46.3	171.9	-78.7	-143.9	102	0	0	112.1	A704 R705 L856 G863 S864	A704-E860 HydrophobicContact CB-CB 4.23Å; A704-E860 WeakPolarHBondContact CB-OE2 3.25Å; A704-E860 PolarHBondContact N-OE2 3.34Å; R705-E860 WeakPolarHBondContact CD-OE1 3.39Å; R705-E860 PolarHBondContact N-OE2 3.07Å; R705-E860 IonicContact NE-OE1 2.64Å; R705-E860 PolarHBondContact NE-OE1 3.33Å; L856-E860 PolarHBondContact O-N 2.92Å; E860-G863 PolarHBondContact O-N 3.49Å; E860-S864 PolarHBondContact O-N 2.86Å
861	K	87.8	Confident	90	Very high	101 Å²	101	82 Å²	82	44%	0.439	44%	0.437	S	S	.	.	H	α-helix	trans	-64.1	-44.4	179	-76.2	167.2	-178.1	163.9	0	111.2	A704 Q857 L858 A859 G863 S864 L865	A704-K861 HydrophobicContact CB-CG 4.39Å; Q857-K861 WeakPolarHBondContact O-CB 3.46Å; Q857-K861 WeakPolarHBondContact O-CD 3.36Å; Q857-K861 VanDerWaalsContact O-CG 3.25Å; Q857-K861 WeakPolarHBondContact O-CG 3.48Å; Q857-K861 PolarHBondContact O-N 3.03Å; L858-K861 PolarHBondContact O-N 3.48Å; A859-K861 PolarHBondContact O-N 2.8Å; K861-G863 VanDerWaalsContact C-N 3.34Å; K861-G863 PolarHBondContact O-N 3.39Å; K861-S864 PolarHBondContact O-N 2.94Å; K861-S864 PolarHBondContact O-OG 3.43Å; K861-L865 WeakPolarHBondContact O-CG 3.4Å; K861-L865 PolarHBondContact O-N 2.72Å
862	L	92.4	Very high	90.2	Very high	93 Å²	93	79.6 Å²	79.6	49%	0.487	42%	0.424	S	S	.	.	H	α-helix	trans	-60.8	-42.1	173.9	-74.1	169.4	0	0	0	111.4	L858 A859 S864 L865 V866	L858-L862 HydrophobicContact CD1-CG 4.4Å; L858-L862 HydrophobicContact CG-CD1 4.05Å; L858-L862 HydrophobicContact CG-CG 4.39Å; L858-L862 WeakPolarHBondContact O-CB 3.23Å; L858-L862 VanDerWaalsContact O-CG 3.23Å; L858-L862 WeakPolarHBondContact O-CG 3.33Å; L858-L862 PolarHBondContact O-N 3.32Å; A859-L862 PolarHBondContact O-N 3.3Å; L862-S864 PolarHBondContact O-N 2.89Å; L862-L865 PolarHBondContact O-N 3.17Å; L862-L865 VanDerWaalsContact O-N 3.13Å; L862-V866 WeakPolarHBondContact O-CG2 3.38Å; L862-V866 PolarHBondContact O-N 3.07Å
863	G	92.9	Very high	90.3	Very high	39 Å²	39	80.5 Å²	80.5	40%	0.402	43%	0.427	S	S	.	.	H	α-helix	trans	-57.6	-44.8	171.9	0	0	0	0	0	112.6	A859 E860 K861 L865 V866 E867	A859-G863 PolarHBondContact O-N 2.86Å; E860-G863 PolarHBondContact O-N 3.49Å; K861-G863 VanDerWaalsContact C-N 3.34Å; K861-G863 PolarHBondContact O-N 3.39Å; G863-L865 VanDerWaalsContact C-N 3.31Å; G863-L865 PolarHBondContact O-N 3.45Å; G863-V866 PolarHBondContact O-N 2.92Å; G863-E867 WeakPolarHBondContact O-CB 3.23Å; G863-E867 PolarHBondContact O-N 3.1Å
864	S	90.1	Very high	90.6	Very high	34 Å²	34	84.3 Å²	84.3	24%	0.238	45%	0.447	C	S	.	.	H	α-helix	trans	-68	-28	175.3	77.3	0	0	0	0	113.8	E860 K861 L862 N868	E860-S864 PolarHBondContact O-N 2.86Å; K861-S864 PolarHBondContact O-N 2.94Å; K861-S864 PolarHBondContact O-OG 3.43Å; L862-S864 PolarHBondContact O-N 2.89Å; S864-N868 WeakPolarHBondContact O-CB 3.24Å; S864-N868 VanDerWaalsContact O-CG 3.27Å; S864-N868 PolarHBondContact O-N 3.13Å; S864-N868 PolarHBondContact O-ND2 2.84Å
865	L	92.9	Very high	90.6	Very high	94 Å²	94	85.5 Å²	85.5	49%	0.492	46%	0.455	S	S	.	.	H	α-helix	trans	-74.9	-37.6	173.6	-72.2	169.4	0	0	0	111.2	K861 L862 G863 N868 N869	K861-L865 WeakPolarHBondContact O-CG 3.4Å; K861-L865 PolarHBondContact O-N 2.72Å; L862-L865 PolarHBondContact O-N 3.17Å; L862-L865 VanDerWaalsContact O-N 3.13Å; G863-L865 VanDerWaalsContact C-N 3.31Å; G863-L865 PolarHBondContact O-N 3.45Å; L865-N868 PolarHBondContact O-N 2.87Å; L865-N869 VanDerWaalsContact O-CB 3.31Å; L865-N869 WeakPolarHBondContact O-CB 3.49Å; L865-N869 PolarHBondContact O-N 2.86Å; L865-N869 PolarHBondContact O-ND2 2.82Å; L865-N869 VanDerWaalsContact O-ND2 3.11Å
866	V	95.6	Very high	90.3	Very high	76 Å²	76	89.7 Å²	89.7	46%	0.461	46%	0.462	S	S	.	.	H	α-helix	trans	-61.9	-51	170.8	171.2	0	0	0	0	110.2	L862 G863 N868 N869 E870	L862-V866 WeakPolarHBondContact O-CG2 3.38Å; L862-V866 PolarHBondContact O-N 3.07Å; G863-V866 PolarHBondContact O-N 2.92Å; V866-N868 VanDerWaalsContact C-N 3.28Å; V866-N868 PolarHBondContact O-N 3.25Å; V866-N869 CarbonylContact O-C 3.55Å; V866-N869 WeakPolarHBondContact O-CA 3.44Å; V866-N869 WeakPolarHBondContact O-CB 3.3Å; V866-N869 PolarHBondContact O-N 3.11Å; V866-E870 HydrophobicContact CG1-CG 4.31Å; V866-E870 WeakPolarHBondContact O-CG 3.45Å; V866-E870 PolarHBondContact O-N 2.8Å
867	E	94.6	Very high	89.5	Confident	75 Å²	75	90.2 Å²	90.2	35%	0.35	46%	0.462	S	S	.	.	H	α-helix	trans	-56.4	-40.3	177	-172.3	-173.8	-174.6	0	0	112.1	G863 R871	G863-E867 WeakPolarHBondContact O-CB 3.23Å; G863-E867 PolarHBondContact O-N 3.1Å; E867-R871 WeakPolarHBondContact O-CD 3.41Å; E867-R871 VanDerWaalsContact O-CG 3.23Å; E867-R871 WeakPolarHBondContact O-CG 3.42Å; E867-R871 PolarHBondContact O-N 3.35Å; E867-R871 VanDerWaalsContact O-N 3.1Å; E867-R871 IonicContact OE1-CZ 3.48Å; E867-R871 IonicContact OE1-NE 3.57Å; E867-R871 IonicContact OE1-NH2 3.41Å; E867-R871 PolarHBondContact OE1-NH2 3.03Å; E867-R871 IonicContact OE2-NH2 3.88Å
868	N	93.1	Very high	88.3	Confident	66 Å²	66	90.7 Å²	90.7	35%	0.353	48%	0.481	S	S	.	.	H	α-helix	trans	-71.6	-35.7	174.9	-75	-43.3	0	0	0	113.2	S864 L865 V866 R871 I872	S864-N868 WeakPolarHBondContact O-CB 3.24Å; S864-N868 VanDerWaalsContact O-CG 3.27Å; S864-N868 PolarHBondContact O-N 3.13Å; S864-N868 PolarHBondContact O-ND2 2.84Å; L865-N868 PolarHBondContact O-N 2.87Å; V866-N868 VanDerWaalsContact C-N 3.28Å; V866-N868 PolarHBondContact O-N 3.25Å; N868-R871 PolarHBondContact OD1-NH1 3.3Å; N868-I872 WeakPolarHBondContact O-CB 3.4Å; N868-I872 WeakPolarHBondContact O-CD1 3.37Å; N868-I872 VanDerWaalsContact O-CG1 3.23Å; N868-I872 WeakPolarHBondContact O-CG1 3.31Å; N868-I872 PolarHBondContact O-N 3.1Å
869	N	93.1	Very high	86.7	Confident	102 Å²	102	91 Å²	91	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-67.4	-37.9	174.5	-74.5	-29.4	0	0	0	111.8	L865 V866 I872 F873	L865-N869 VanDerWaalsContact O-CB 3.31Å; L865-N869 WeakPolarHBondContact O-CB 3.49Å; L865-N869 PolarHBondContact O-N 2.86Å; L865-N869 PolarHBondContact O-ND2 2.82Å; L865-N869 VanDerWaalsContact O-ND2 3.11Å; V866-N869 CarbonylContact O-C 3.55Å; V866-N869 WeakPolarHBondContact O-CA 3.44Å; V866-N869 WeakPolarHBondContact O-CB 3.3Å; V866-N869 PolarHBondContact O-N 3.11Å; N869-I872 PolarHBondContact O-N 2.85Å; N869-F873 VanDerWaalsContact O-CB 3.3Å; N869-F873 WeakPolarHBondContact O-CB 3.46Å; N869-F873 PolarHBondContact O-N 3.45Å
870	E	93.8	Very high	84.8	Confident	111 Å²	111	97.5 Å²	97.5	52%	0.519	50%	0.5	S	S	.	.	H	α-helix	trans	-62.2	-51	173.8	-72.4	169.3	164.3	0	0	110.6	V866 I872 F873 D874	V866-E870 HydrophobicContact CG1-CG 4.31Å; V866-E870 WeakPolarHBondContact O-CG 3.45Å; V866-E870 PolarHBondContact O-N 2.8Å; E870-I872 VanDerWaalsContact C-N 3.28Å; E870-I872 PolarHBondContact O-N 3.12Å; E870-F873 CarbonylContact O-C 3.59Å; E870-F873 WeakPolarHBondContact O-CA 3.37Å; E870-F873 WeakPolarHBondContact O-CB 3.42Å; E870-F873 PolarHBondContact O-N 3.41Å; E870-D874 PolarHBondContact O-N 3.03Å
871	R	92.6	Very high	83.1	Confident	124 Å²	124	97.1 Å²	97.1	47%	0.468	51%	0.514	S	S	.	.	H	α-helix	trans	-55.4	-41	173.6	-67.5	163.9	-175.3	173.1	-4.4	112.7	E867 N868 L875	E867-R871 WeakPolarHBondContact O-CD 3.41Å; E867-R871 VanDerWaalsContact O-CG 3.23Å; E867-R871 WeakPolarHBondContact O-CG 3.42Å; E867-R871 PolarHBondContact O-N 3.35Å; E867-R871 VanDerWaalsContact O-N 3.1Å; E867-R871 IonicContact OE1-CZ 3.48Å; E867-R871 IonicContact OE1-NE 3.57Å; E867-R871 IonicContact OE1-NH2 3.41Å; E867-R871 PolarHBondContact OE1-NH2 3.03Å; E867-R871 IonicContact OE2-NH2 3.88Å; N868-R871 PolarHBondContact OD1-NH1 3.3Å; R871-L875 WeakPolarHBondContact O-CB 3.47Å; R871-L875 WeakPolarHBondContact O-CD1 3.46Å; R871-L875 VanDerWaalsContact O-CG 3.24Å; R871-L875 WeakPolarHBondContact O-CG 3.23Å; R871-L875 PolarHBondContact O-N 3Å; R871-L875 VanDerWaalsContact O-N 3.1Å
872	I	91.1	Very high	81.2	Confident	83 Å²	83	95.7 Å²	95.7	43%	0.426	53%	0.528	S	S	.	.	H	α-helix	trans	-71.1	-33.8	177.2	-70.3	166.4	0	0	0	111.5	N868 N869 E870 K876	N868-I872 WeakPolarHBondContact O-CB 3.4Å; N868-I872 WeakPolarHBondContact O-CD1 3.37Å; N868-I872 VanDerWaalsContact O-CG1 3.23Å; N868-I872 WeakPolarHBondContact O-CG1 3.31Å; N868-I872 PolarHBondContact O-N 3.1Å; N869-I872 PolarHBondContact O-N 2.85Å; E870-I872 VanDerWaalsContact C-N 3.28Å; E870-I872 PolarHBondContact O-N 3.12Å; I872-K876 HydrophobicContact CG2-CD 4.34Å; I872-K876 WeakPolarHBondContact O-CG 3.46Å; I872-K876 PolarHBondContact O-N 3.25Å; I872-K876 VanDerWaalsContact O-N 3.12Å
873	F	88.9	Confident	79	Confident	121 Å²	121	101.3 Å²	101.3	53%	0.531	54%	0.544	S	S	.	.	H	α-helix	trans	-67.3	-48.3	175.2	179.9	-94.2	0	0	0	110.9	N869 E870 L875 K876 Q877	N869-F873 VanDerWaalsContact O-CB 3.3Å; N869-F873 WeakPolarHBondContact O-CB 3.46Å; N869-F873 PolarHBondContact O-N 3.45Å; E870-F873 CarbonylContact O-C 3.59Å; E870-F873 WeakPolarHBondContact O-CA 3.37Å; E870-F873 WeakPolarHBondContact O-CB 3.42Å; E870-F873 PolarHBondContact O-N 3.41Å; F873-L875 VanDerWaalsContact C-N 3.34Å; F873-L875 PolarHBondContact O-N 3.24Å; F873-K876 CarbonylContact O-C 3.6Å; F873-K876 WeakPolarHBondContact O-CA 3.5Å; F873-K876 PolarHBondContact O-N 2.85Å; F873-Q877 HydrophobicContact CE1-CB 4.41Å; F873-Q877 WeakPolarHBondContact O-CB 3.39Å; F873-Q877 PolarHBondContact O-N 2.77Å
874	D	90.4	Very high	76.7	Confident	100 Å²	100	109 Å²	109	54%	0.535	57%	0.566	S	S	.	*	H	α-helix	trans	-57.2	-46.3	175.5	-69.8	-16.1	0	0	0	111.4	E870 K876 Q877 G878	E870-D874 PolarHBondContact O-N 3.03Å; D874-K876 VanDerWaalsContact C-N 3.26Å; D874-K876 PolarHBondContact O-N 2.86Å; D874-Q877 PolarHBondContact O-N 3Å; D874-G878 PolarHBondContact O-N 3.3Å
875	L	85.7	Confident	74.4	Confident	135 Å²	135	115.3 Å²	115.3	71%	0.707	60%	0.598	S	S	*	*	H	α-helix	trans	-59.3	-34.1	175.2	-77.8	167.3	0	0	0	112.9	R871 F873	R871-L875 WeakPolarHBondContact O-CB 3.47Å; R871-L875 WeakPolarHBondContact O-CD1 3.46Å; R871-L875 VanDerWaalsContact O-CG 3.24Å; R871-L875 WeakPolarHBondContact O-CG 3.23Å; R871-L875 PolarHBondContact O-N 3Å; R871-L875 VanDerWaalsContact O-N 3.1Å; F873-L875 VanDerWaalsContact C-N 3.34Å; F873-L875 PolarHBondContact O-N 3.24Å
876	K	82.6	Confident	72.1	Confident	147 Å²	147	121.7 Å²	121.7	64%	0.639	62%	0.615	S	S	*	*	H	α-helix	trans	-80.8	-36.2	175.7	-74.8	178.4	178.5	-179.3	0	112.7	I872 F873 D874 V879	I872-K876 HydrophobicContact CG2-CD 4.34Å; I872-K876 WeakPolarHBondContact O-CG 3.46Å; I872-K876 PolarHBondContact O-N 3.25Å; I872-K876 VanDerWaalsContact O-N 3.12Å; F873-K876 CarbonylContact O-C 3.6Å; F873-K876 WeakPolarHBondContact O-CA 3.5Å; F873-K876 PolarHBondContact O-N 2.85Å; D874-K876 VanDerWaalsContact C-N 3.26Å; D874-K876 PolarHBondContact O-N 2.86Å; K876-V879 PolarHBondContact O-N 3.19Å
877	Q	71.2	Confident	69.5	Low	114 Å²	114	124.8 Å²	124.8	53%	0.533	63%	0.629	S	S	.	*	H	α-helix	trans	-71.1	-33.8	179.1	-160.3	175.3	42.3	0	0	111.3	F873 D874 V879 Y880 G881	F873-Q877 HydrophobicContact CE1-CB 4.41Å; F873-Q877 WeakPolarHBondContact O-CB 3.39Å; F873-Q877 PolarHBondContact O-N 2.77Å; D874-Q877 PolarHBondContact O-N 3Å; Q877-V879 PolarHBondContact O-N 3.35Å; Q877-Y880 PolarHBondContact O-N 3.19Å; Q877-G881 PolarHBondContact O-N 3.25Å
878	G	59.6	Low	66.9	Low	61 Å²	61	130.2 Å²	130.2	63%	0.629	66%	0.655	S	S	*	*	H	α-helix	trans	-58	-25.8	172.9	0	0	0	0	0	114.5	D874	D874-G878 PolarHBondContact O-N 3.3Å
879	V	54.5	Low	64.3	Low	109 Å²	109	137 Å²	137	66%	0.661	68%	0.681	S	S	*	*	H	α-helix	trans	-75.2	-28.1	174.2	-178.2	0	0	0	0	112	K876 Q877	K876-V879 PolarHBondContact O-N 3.19Å; Q877-V879 PolarHBondContact O-N 3.35Å
880	Y	50.1	Low	61.4	Low	195 Å²	195	135.9 Å²	135.9	77%	0.765	69%	0.693	S	S	*	*	H	α-helix	trans	-89.6	-15.2	179.3	-92.8	-93	0	0	0	114.4	Q877 G882	Q877-Y880 PolarHBondContact O-N 3.19Å; Y880-G882 PolarHBondContact O-N 2.95Å
881	G	51.7	Low	58.6	Low	60 Å²	60	134.1 Å²	134.1	62%	0.619	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-66.6	-17	178.7	0	0	0	0	0	115.5	Q877 Y883	Q877-G881 PolarHBondContact O-N 3.25Å; G881-Y883 PolarHBondContact O-N 3.33Å
882	G	48.8	Very low	55.8	Low	70 Å²	70	137.9 Å²	137.9	72%	0.722	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-75	-11.1	-169.9	0	0	0	0	0	117.2	Y880	Y880-G882 PolarHBondContact O-N 2.95Å
883	Y	46.2	Very low	53.2	Low	212 Å²	212	141.1 Å²	141.1	83%	0.831	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-110.6	-7.7	-163.9	-84.3	-83.9	0	0	0	116.9	G881	G881-Y883 PolarHBondContact O-N 3.33Å
884	F	43.4	Very low	50.6	Low	199 Å²	199	142 Å²	142	87%	0.873	74%	0.739	S	S	*	*	S	Bend	trans	-108.1	1.2	-168.7	-97.2	-81.2	0	0	0	116.9
885	N	43.4	Very low	47.8	Very low	168 Å²	168	145.2 Å²	145.2	90%	0.898	75%	0.749	S	S	*	*	S	Bend	trans	-125.6	42.5	-168.9	-108.5	-29	0	0	0	114.5
886	R	43.5	Very low	45.4	Very low	227 Å²	227	147.5 Å²	147.5	86%	0.857	76%	0.756	S	S	*	*	S	Bend	trans	-122.5	-8.7	179.8	-131.1	-170.9	93.9	150.5	5.6	118
887	D	42	Very low	43.6	Very low	142 Å²	142	145.4 Å²	145.4	76%	0.759	76%	0.757	S	S	*	*			trans	-141.5	68.8	-171.4	-83.8	-69.4	0	0	0	115.2
888	Q	38.5	Very low	41.7	Very low	189 Å²	189	151.3 Å²	151.3	88%	0.883	78%	0.776	S	S	*	*			trans	-157.5	107.4	140	-119.6	155.3	97.6	0	0	116.3
889	K	39.1	Very low	40.6	Very low	209 Å²	209	157.1 Å²	157.1	91%	0.909	79%	0.787	S	S	*	*			trans	26.4	130.6	145.1	-64	178	177.5	175.5	0	120.8
890	G	32.9	Very low	39.4	Very low	77 Å²	77	163.8 Å²	163.8	79%	0.794	80%	0.801	S	S	*	*				122.3	51	108.2	0	0	0	0	0	118.7
891	G	34.4	Very low	38.6	Very low	74 Å²	74	161 Å²	161	76%	0.763	80%	0.799	S	S	*	*			trans	-66.4	-175.4	-175.9	0	0	0	0	0	118.3
892	Y	33.4	Very low	37.7	Very low	204 Å²	204	164.8 Å²	164.8	80%	0.8	80%	0.8	S	S	*	*			trans	-152.1	134.8	167.2	-123.2	-95.8	0	0	0	110.2
893	Q	35.8	Very low	37	Very low	151 Å²	151	169.9 Å²	169.9	71%	0.706	80%	0.803	S	S	*	*			trans	40.5	144.6	150	-72.4	-179.3	-6.8	0	0	122.3
894	Q	35.9	Very low	36.2	Very low	138 Å²	138	163.5 Å²	163.5	65%	0.645	80%	0.801	S	S	*	*			cis	-166.1	160.8	-13.6	-132.8	-176.6	36.8	0	0	110.9
895	K	31.3	Very low	35.6	Very low	169 Å²	169	157.4 Å²	157.4	74%	0.735	80%	0.795	S	S	*	*			trans	64.2	97.6	156.8	-66.5	172.4	178.1	169.6	0	120.2
896	Q	35.8	Very low	34.9	Very low	182 Å²	182	159.6 Å²	159.6	85%	0.85	79%	0.792	S	S	*	*				31.7	156.9	111.1	-75.9	-170	-10	0	0	121.9
897	P	44.7	Very low	34.3	Very low	104 Å²	104	158.7 Å²	158.7	68%	0.675	80%	0.797	S	S	*	*			cis	-140.8	175.4	-29.3	39	-22.2	0	0	0	114.2
898	Y	31.5	Very low	33.8	Very low	238 Å²	238	159.9 Å²	159.9	93%	0.933	80%	0.798	S	S	*	*			trans	-137.9	142.4	145.7	-137.6	-92.4	0	0	0	110.1
899	Q	34.6	Very low	33.5	Very low	183 Å²	183	159 Å²	159	86%	0.855	79%	0.792	S	S	*	*			trans	-82.1	137.7	-176.6	-68.5	168.9	-67.9	0	0	111.4
900	R	30.2	Very low	33.1	Very low	249 Å²	249	157.1 Å²	157.1	94%	0.94	79%	0.786	S	S	*	*			trans	-147.9	106.3	142	-167.7	172.2	-170.5	169.7	4.7	109.2
901	D	32.4	Very low	32.9	Very low	137 Å²	137	157.1 Å²	157.1	73%	0.733	79%	0.786	S	S	*	*			trans	-86	170	-180	-132.4	-45.3	0	0	0	113
902	Q	33.5	Very low	32.6	Very low	138 Å²	138	157.2 Å²	157.2	65%	0.645	79%	0.787	S	S	*	*			trans	-67	171.1	176.2	-66	165.9	63.5	0	0	111.7
903	K	34.3	Very low	32.6	Very low	177 Å²	177	159.1 Å²	159.1	77%	0.77	80%	0.795	S	S	*	*			cis	-152.1	152.8	2.4	-132.2	153.8	-172.1	156.9	0	107.6
904	G	29.6	Very low	32.3	Very low	78 Å²	78	161.5 Å²	161.5	80%	0.804	81%	0.806	S	S	*	*				97.4	159.1	88.1	0	0	0	0	0	109.2
905	G	29.8	Very low	32	Very low	72 Å²	72	166.8 Å²	166.8	74%	0.742	82%	0.82	S	S	*	*			cis	178.3	171.3	-2.1	0	0	0	0	0	104.9
906	Y	29.2	Very low	31.8	Very low	214 Å²	214	162.5 Å²	162.5	84%	0.839	82%	0.824	S	S	*	*			cis	-160	140.9	13.2	-115.3	-105.2	0	0	0	105
907	Q	30.4	Very low	31.4	Very low	207 Å²	207	157 Å²	157	97%	0.967	82%	0.816	S	S	*	*			trans	-154.2	147.1	134.6	-127.1	171.6	-1.3	0	0	113.9
908	Q	33.3	Very low	30.7	Very low	167 Å²	167	163.1 Å²	163.1	78%	0.78	83%	0.827	S	S	*	*			trans	-96.5	146.6	-154.6	-155.5	162.4	-31.9	0	0	111.3
909	K	31.2	Very low	30.6	Very low	172 Å²	172	161.4 Å²	161.4	75%	0.748	82%	0.819	S	S	*	*			trans	-65.7	179.2	161.1	-53.2	174.7	175	175.9	0	109
910	Q	30.7	Very low	30.4	Very low	169 Å²	169	157.9 Å²	157.9	79%	0.79	81%	0.807	S	S	*	*			cis	-173.9	157.8	22.6	-154.4	158.3	-8.2	0	0	111.7
911	G	29.3	Very low	30.5	Very low	76 Å²	76	153.2 Å²	153.2	78%	0.784	80%	0.795	S	S	*	*			trans	84.7	156.3	138.7	0	0	0	0	0	118.5
912	G	28.4	Very low	30.3	Very low	77 Å²	77	152.6 Å²	152.6	79%	0.794	79%	0.792	S	S	*	*			cis	-176.5	169.1	-3.3	0	0	0	0	0	113.9
913	Y	32.2	Very low	30.3	Very low	244 Å²	244	153.9 Å²	153.9	96%	0.957	80%	0.798	S	S	*	*			trans	-97.1	141.6	175	-86.2	-102.6	0	0	0	111.3
914	Q	29.9	Very low	30	Very low	200 Å²	200	150.9 Å²	150.9	94%	0.935	80%	0.799	S	S	*	*			trans	-145.3	173.3	166	-135.1	170.6	3.9	0	0	111.3
915	R	29.8	Very low	30.3	Very low	249 Å²	249	154.2 Å²	154.2	94%	0.94	80%	0.799	S	S	*	*			trans	-138.1	135.6	-142.3	178.6	-171.9	-178.6	-158.3	3.4	115
916	G	27.8	Very low	30.6	Very low	80 Å²	80	165.2 Å²	165.2	83%	0.825	82%	0.82	S	S	*	*			trans	100.6	155.2	160.2	0	0	0	0	0	116
917	G	27.2	Very low	30.6	Very low	67 Å²	67	162.8 Å²	162.8	69%	0.691	82%	0.819	S	S	*	*			cis	159	126.4	-11	0	0	0	0	0	114.9
918	Y	30.2	Very low	30.7	Very low	231 Å²	231	160.4 Å²	160.4	91%	0.906	81%	0.811	S	S	*	*			trans	-157.9	162.3	170.3	-77.4	-87.3	0	0	0	109.1
919	R	29.6	Very low	30.5	Very low	202 Å²	202	160.1 Å²	160.1	76%	0.762	81%	0.813	S	S	*	*			cis	-173.9	148.6	-41.3	170.2	169.6	178.7	175	2.1	108.4
920	N	28.4	Very low	30.5	Very low	110 Å²	110	159.4 Å²	159.4	59%	0.588	82%	0.817	S	S	*	*			trans	69.8	157.8	164.6	-88.4	33.3	0	0	0	117.7
921	Q	33.4	Very low	30.5	Very low	151 Å²	151	158.8 Å²	158.8	71%	0.706	82%	0.818	S	S	*	*			cis	-172.9	134.4	-34.1	-126.5	178.7	-21.9	0	0	109.9
922	N	28.3	Very low	30.5	Very low	123 Å²	123	164.3 Å²	164.3	66%	0.658	82%	0.821	S	S	*	*			trans	156	125.2	141.5	-85.5	-9.8	0	0	0	111
923	Q	32.5	Very low	30.7	Very low	165 Å²	165	170.5 Å²	170.5	77%	0.771	82%	0.823	S	S	*	*				72.5	133.8	98.3	-62.6	178.8	22.8	0	0	113.7
924	S	29.1	Very low	30.6	Very low	114 Å²	114	164.8 Å²	164.8	80%	0.797	81%	0.812	S	S	*	*			cis	-153.7	169.4	-5.2	-145.3	0	0	0	0	110.8
925	N	35	Very low	30.6	Very low	149 Å²	149	161.9 Å²	161.9	80%	0.797	80%	0.802	S	S	*	*			trans	-66.6	143.3	166.6	-68	4.8	0	0	0	110.8
926	Y	36.2	Very low	30.7	Very low	302 Å²	302	154 Å²	154	100%	1.184	79%	0.79	S	S	*	*				-144.2	0	124.3	-109.4	-72.3	0	0	0	109.9

Retrieved 926 of 926 residues in 1245.7 ms (Link to these results)

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