A0A087YP88_POEFO Loading...

NAD(P) transhydrogenase, mitochondrial

The transhydrogenation between NADH and NADP is coupled to respiration and ATP hydrolysis and functions as a proton pump across the membrane. May play a role in reactive oxygen species (ROS) detoxification in the adrenal gland.

AlphaFold DB , UniProt , Accession A0A087YP88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,087 aa.

						>A0A087YP88_POEFO|A0A087YP88
MASLLRVVLSSCSAPVLGGVSSVKVQTSPAIKSTCVRFFRTHQALWRSTGPGIPYKQLTVGVPKEIFQNERRVALSPAGVQALIKQGFNVVVESGAGEPSKFPDEQYAQAGATIKDVKDVLASDLLVKVRAPTFSPALGAHEVDLMKESSTLLSFIYPAQNPELMDMLSKKKATVLAMDQVPRVTIAQGYDALSSMANIAGYKAVVLAANNFGRFFTGQITAAGKVPPAKVLIIGGGVAGLAAAGTARAMGAIVRGFDTRAAALEQFKSLGAEPLEVDIQESGEGQGGYAKEMSKEFIEAEMKLFAKQCQEVDIVISTALIPGRRAPILITKPMVESMKDGSVVVDMAAEAGGNIETTVPGELSVHKGVTHIGYTDLPSRLPTQSSTLYSNNITKLLRAISPDKENFYFDVKDVFDYGTMDHVVRGSVVMQNGQNLFPAPQPNNVPIAAPPKPKTVQELEAEKASQVSPFKATLTTASLYTGGIGTLLGLGLSAPNAAFTQMVTTFGLAGIVGYHTVWGVTPALHSPLMSVTNAISGLTAVGGLSLMGGSYLPSTTAETLAVLAAFISSVNIAGGFLVTQRMLDMFKRPTDPPEYNYLYLLPAGVFVGGYAAALQAGYNVEQMMYLGSGLCCVGALAGLSNQTTARLGNTLGMIGVAGGLAATLGALKPSPELLAQMSAAMAVGGTAGLTIAKKIEISDLPQLVAAFHSLVGLAAVLTCVAEYMIEYPHFATDPAANLTKIVAYLGTYIGGITFSGSLVAYGKLQGILNSAPLMLPGRHALNATLMAASVGGMVPYMLDPSYTTGMTCLGSVSALSAVMGVTLTAAIGGADMPVVITVLNSYSGWALCAEGFLLNNNLLTIVGALIGSSGAILSYIMCVAMNRSLANVILGGYGTSSTGTGKPMEITGTHTEVNVEQTVDMIKEAHNIIITPGYGLCAAKAQYPIAELVKMLSEAGKKVRFGIHPVAGRMPGQLNVLLAEAGVPYDIVLEMEEINEDFPETDLVLVIGANDTVNSAAQEDPNSIIAGMPVLEVWKAKQVIVMKRSLGVGYAAVDNPIFYKPNTSMLLGDAKKTCDALQAKVRESQIQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	28.8	Very low	223 Å²	223	137.1 Å²	137.1	100%	1.099	77%	0.774	S	S	*	*				0	-31.1	0	-84.7	-176.7	-175.3	0	0	114.8	S3	M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 2.99Å
2	A	25.5	Very low	28.7	Very low	93 Å²	93	136.3 Å²	136.3	77%	0.769	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-11.2	179	0	0	0	0	0	116.2
3	S	25.3	Very low	28.6	Very low	97 Å²	97	135.8 Å²	135.8	68%	0.678	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-15.2	-176.2	-159.2	0	0	0	0	114.9	M1	M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 2.99Å
4	L	28	Very low	28.6	Very low	152 Å²	152	132.8 Å²	132.8	80%	0.796	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-26	-179.2	-123.6	91.9	0	0	0	112.6	R6	L4-R6 VanDerWaalsContact C-N 3.31Å; L4-R6 PolarHBondContact O-N 3.48Å
5	L	30.5	Very low	28.8	Very low	145 Å²	145	132.5 Å²	132.5	76%	0.759	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-10.4	-179.6	-97.1	133.2	0	0	0	114.4
6	R	28.4	Very low	28.8	Very low	208 Å²	208	132.4 Å²	132.4	79%	0.785	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-19	176.4	-85	-172.5	-176.1	-171.5	1.5	114.2	L4	L4-R6 VanDerWaalsContact C-N 3.31Å; L4-R6 PolarHBondContact O-N 3.48Å
7	V	30.3	Very low	28.8	Very low	106 Å²	106	134.6 Å²	134.6	64%	0.642	80%	0.799	S	S	*	*	S	Bend	trans	-86.6	-16.7	-168.7	179.4	0	0	0	0	113
8	V	30.5	Very low	28.5	Very low	128 Å²	128	131.3 Å²	131.3	78%	0.776	80%	0.797	S	S	*	*	S	Bend	trans	-90.2	-8.1	-177.7	-177.2	0	0	0	0	113.3
9	L	30.1	Very low	28.3	Very low	160 Å²	160	128.2 Å²	128.2	84%	0.838	79%	0.794	S	S	*	*	S	Bend	trans	-108.2	4.4	-174.7	-81.5	164.3	0	0	0	115.4
10	S	28.7	Very low	28.2	Very low	99 Å²	99	128.6 Å²	128.6	69%	0.692	80%	0.796	S	S	*	*	S	Bend	trans	-112.3	17.7	-170.1	69.9	0	0	0	0	116.6
11	S	29.1	Very low	28.1	Very low	97 Å²	97	127.2 Å²	127.2	68%	0.678	79%	0.791	S	S	*	*			trans	-137.1	78.2	-179.5	48.3	0	0	0	0	112.3
12	C	27.9	Very low	27.9	Very low	127 Å²	127	121.8 Å²	121.8	86%	0.858	78%	0.775	S	S	*	*			trans	-173.7	88	149.1	-99.6	0	0	0	0	109.3
13	S	27.3	Very low	27.9	Very low	130 Å²	130	124.1 Å²	124.1	91%	0.909	78%	0.779	S	S	*	*			trans	-152.2	93.9	165.3	-55.1	0	0	0	0	109.1
14	A	28.3	Very low	27.9	Very low	94 Å²	94	128.5 Å²	128.5	78%	0.777	79%	0.786	S	S	*	*			trans	-125	126.3	162.6	0	0	0	0	0	107.6
15	P	31.8	Very low	27.8	Very low	129 Å²	129	127 Å²	127	84%	0.838	78%	0.783	S	S	*	*			trans	-94.1	129.5	177.8	33.9	-26.8	0	0	0	109.9
16	V	29.1	Very low	27.5	Very low	130 Å²	130	128.9 Å²	128.9	79%	0.788	79%	0.788	S	S	*	*			trans	-129	105.7	166	178.7	0	0	0	0	107
17	L	28.8	Very low	27.5	Very low	171 Å²	171	125.2 Å²	125.2	90%	0.895	79%	0.789	S	S	*	*			trans	163.3	118.7	135.1	-87.6	158	0	0	0	109.6
18	G	23.2	Very low	27.3	Very low	74 Å²	74	125.2 Å²	125.2	76%	0.763	79%	0.794	S	S	*	*			trans	-108.2	167.3	169.1	0	0	0	0	0	112.2
19	G	24.5	Very low	28	Very low	73 Å²	73	124.9 Å²	124.9	75%	0.753	79%	0.794	S	S	*	*			trans	83.5	133	167	0	0	0	0	0	113.9
20	V	27.1	Very low	27.8	Very low	135 Å²	135	121.2 Å²	121.2	82%	0.818	79%	0.787	S	S	*	*			cis	-166.2	139.3	34.4	165.2	0	0	0	0	109.6
21	S	25.8	Very low	27.8	Very low	101 Å²	101	124.4 Å²	124.4	71%	0.706	79%	0.794	S	S	*	*			trans	50.6	117.6	150.6	-48.7	0	0	0	0	121.5
22	S	25.8	Very low	27.9	Very low	108 Å²	108	129.2 Å²	129.2	76%	0.755	80%	0.803	S	S	*	*				76	109.4	54.6	81	0	0	0	0	116.7
23	V	25.7	Very low	27.9	Very low	142 Å²	142	128.2 Å²	128.2	86%	0.861	80%	0.798	S	S	*	*			trans	-147.7	115.1	138.9	177.9	0	0	0	0	110.9
24	K	25.4	Very low	27.8	Very low	190 Å²	190	128 Å²	128	83%	0.826	79%	0.791	S	S	*	*			trans	8.3	148.2	148	-63.2	173.2	173.8	176.2	0	119.4
25	V	24.9	Very low	27.7	Very low	121 Å²	121	129 Å²	129	73%	0.733	79%	0.791	S	S	*	*				-161.7	127.4	63.2	165.6	0	0	0	0	113.6
26	Q	24.6	Very low	27.6	Very low	184 Å²	184	128.5 Å²	128.5	86%	0.86	79%	0.785	S	S	*	*			trans	44.6	120.7	140.3	-65.6	169.8	-45.3	0	0	123.9
27	T	27.8	Very low	27.5	Very low	130 Å²	130	133.2 Å²	133.2	80%	0.798	79%	0.789	S	S	*	*			trans	-100.5	156	155.4	48.7	0	0	0	0	112.5
28	S	26.5	Very low	27.4	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	79%	0.785	S	S	*	*			trans	94.1	161.8	142.9	-66.5	0	0	0	0	119.2
29	P	44.9	Very low	27.8	Very low	121 Å²	121	138.7 Å²	138.7	79%	0.786	79%	0.785	S	S	*	*			cis	-136	-178.1	-25.2	28.9	-7.3	0	0	0	112.8
30	A	26.2	Very low	28.1	Very low	83 Å²	83	146.5 Å²	146.5	69%	0.686	79%	0.792	S	S	*	*				155.4	129	126.6	0	0	0	0	0	117.2
31	I	29	Very low	28.3	Very low	165 Å²	165	145.1 Å²	145.1	85%	0.846	78%	0.784	S	S	*	*				83.5	130	129.8	-61.9	167.1	0	0	0	121.6
32	K	31.5	Very low	29	Very low	199 Å²	199	148.6 Å²	148.6	87%	0.865	79%	0.789	S	S	*	*			trans	-67.5	148.4	172.1	-65.7	171.2	172	176.7	0	113.3
33	S	26.8	Very low	29.2	Very low	106 Å²	106	152.7 Å²	152.7	74%	0.741	80%	0.796	S	S	*	*			trans	-157.2	117.9	145	-171.6	0	0	0	0	113.3
34	T	26.8	Very low	30	Very low	124 Å²	124	149.7 Å²	149.7	76%	0.761	79%	0.786	S	S	*	*			trans	25.6	120.1	130.5	1.7	0	0	0	0	122.1
35	C	26.5	Very low	30.6	Very low	116 Å²	116	148.3 Å²	148.3	78%	0.784	79%	0.787	S	S	*	*			trans	29.6	116.4	132	-161.1	0	0	0	0	119.7
36	V	27.8	Very low	31	Very low	118 Å²	118	154.9 Å²	154.9	72%	0.715	80%	0.799	S	S	*	*				-153	119.3	124.2	-179.4	0	0	0	0	109.2	F38	V36-F38 HydrophobicContact CG1-CD2 3.79Å; V36-F38 HydrophobicContact CG1-CE2 4.03Å
37	R	28.8	Very low	31.6	Very low	229 Å²	229	157.1 Å²	157.1	86%	0.864	80%	0.799	S	S	*	*			trans	-70.5	117.6	162	-85.7	176.6	169.9	173.5	-3.7	108.7
38	F	26.8	Very low	32	Very low	186 Å²	186	156.4 Å²	156.4	82%	0.816	80%	0.799	S	S	*	*			trans	-104.5	114.1	159.2	-105.2	-85.3	0	0	0	109.4	V36 R40	V36-F38 HydrophobicContact CG1-CD2 3.79Å; V36-F38 HydrophobicContact CG1-CE2 4.03Å; F38-R40 PolarHBondContact O-N 3Å
39	F	30.7	Very low	33.1	Very low	174 Å²	174	157.6 Å²	157.6	76%	0.763	80%	0.802	S	S	*	*			trans	-60.6	122.3	159.4	-92.1	-98	0	0	0	108.6
40	R	29.8	Very low	33.7	Very low	238 Å²	238	153.4 Å²	153.4	90%	0.898	78%	0.781	S	S	*	*			trans	-116.6	93.4	153.8	-92.7	-169.9	175.8	-170.3	0	108.5	F38	F38-R40 PolarHBondContact O-N 3Å
41	T	32.9	Very low	35.8	Very low	106 Å²	106	153.8 Å²	153.8	65%	0.65	78%	0.777	S	S	*	*			trans	-66.7	140.4	158.1	37.7	0	0	0	0	110.5
42	H	39	Very low	38.3	Very low	174 Å²	174	147.5 Å²	147.5	81%	0.806	75%	0.753	S	S	*	*			trans	54.4	90.4	161.2	-67.5	-70.1	0	0	0	119.1
43	Q	31.4	Very low	41	Very low	193 Å²	193	142.2 Å²	142.2	90%	0.902	73%	0.733	S	S	*	*			trans	-136.1	70	135.7	-114.3	176.6	-6.1	0	0	108.4
44	A	41.3	Very low	44	Very low	79 Å²	79	139.3 Å²	139.3	65%	0.653	71%	0.712	S	S	*	*			trans	-74.2	150.3	149.2	0	0	0	0	0	107.2
45	L	38.3	Very low	47	Very low	162 Å²	162	133.6 Å²	133.6	85%	0.848	68%	0.676	S	S	*	*			trans	91.4	71.5	-171.7	-54.4	159.7	0	0	0	113.5
46	W	34.1	Very low	50.1	Low	259 Å²	259	136.1 Å²	136.1	98%	0.981	67%	0.674	S	S	*	*				-151.7	81	119.7	-83.7	-6.5	0	0	0	106.3	S48	W46-S48 PolarHBondContact O-N 3.15Å
47	R	36.7	Very low	53.1	Low	230 Å²	230	136.8 Å²	136.8	87%	0.868	67%	0.669	S	S	*	*			trans	-61.5	115.6	154.5	-85.6	-177.3	174.2	-173	-4.4	104.5	T49	R47-T49 PolarHBondContact O-N 2.99Å
48	S	36.3	Very low	56.2	Low	115 Å²	115	126.8 Å²	126.8	80%	0.804	63%	0.633	S	S	*	*			trans	-59.6	110.5	160.8	90	0	0	0	0	104.9	W46 G50	W46-S48 PolarHBondContact O-N 3.15Å; S48-G50 PolarHBondContact O-N 2.84Å; S48-G50 VanDerWaalsContact O-N 3.09Å
49	T	49.7	Very low	59.5	Low	132 Å²	132	119.6 Å²	119.6	81%	0.81	60%	0.604	S	S	*	*			trans	-68	105.5	170.8	45.6	0	0	0	0	104.8	R47	R47-T49 PolarHBondContact O-N 2.99Å
50	G	56.4	Low	62.7	Low	33 Å²	33	111.3 Å²	111.3	34%	0.34	57%	0.568	S	S	.	*			trans	-52.8	151.7	169.1	0	0	0	0	0	109.9	S48 G52	S48-G50 PolarHBondContact O-N 2.84Å; S48-G50 VanDerWaalsContact O-N 3.09Å; G50-G52 PolarHBondContact O-N 2.73Å; G50-G52 VanDerWaalsContact O-N 3.14Å
51	P	71.7	Confident	65.9	Low	92 Å²	92	100 Å²	100	60%	0.597	53%	0.525	S	S	*	.	S	Bend	trans	-62.2	118	175.3	26.6	-32.3	0	0	0	108.7	Y408	P51-Y408 HydrophobicContact CB-CD1 4.38Å; P51-Y408 HydrophobicContact CB-CD2 4.31Å; P51-Y408 HydrophobicContact CB-CE1 4.2Å; P51-Y408 HydrophobicContact CB-CE2 4.15Å; P51-Y408 HydrophobicContact CB-CG 4.43Å; P51-Y408 HydrophobicContact CG-CD1 4.26Å; P51-Y408 HydrophobicContact CG-CE1 4.07Å; P51-Y408 WeakPolarHBondContact O-CB 3.37Å; P51-Y408 VanDerWaalsContact O-CG 3.27Å
52	G	80.6	Confident	69	Low	33 Å²	33	95 Å²	95	34%	0.34	49%	0.494	S	S	.	.	S	Bend	trans	147.6	161.6	178.2	0	0	0	0	0	114.3	G50	G50-G52 PolarHBondContact O-N 2.73Å; G50-G52 VanDerWaalsContact O-N 3.14Å
53	I	88	Confident	71.8	Confident	87 Å²	87	86.8 Å²	86.8	45%	0.446	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.3	174.1	-59.4	172	0	0	0	107.7	Y55 Q57 L58 F407	I53-Y55 PolarHBondContact O-N 3.48Å; I53-Q57 HydrophobicContact CG2-CB 4.04Å; I53-L58 HydrophobicContact CB-CD1 4.28Å; I53-L58 HydrophobicContact CB-CD2 4.37Å; I53-L58 HydrophobicContact CB-CG 4.38Å; I53-L58 HydrophobicContact CD1-CD2 4.36Å; I53-L58 HydrophobicContact CG2-CD1 4.3Å; I53-L58 HydrophobicContact CG2-CD2 3.91Å; I53-L58 HydrophobicContact CG2-CG 3.88Å; I53-F407 PolarHBondContact N-O 3.14Å; I53-F407 PolarHBondContact O-N 3.4Å
54	P	90.8	Very high	74.8	Confident	46 Å²	46	81 Å²	81	30%	0.299	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	136.5	177.4	-26.8	34.4	0	0	0	112.3	K56 Q57 E405	P54-K56 PolarHBondContact O-N 2.87Å; P54-K56 VanDerWaalsContact O-N 3.08Å; P54-Q57 HydrophobicContact CB-CG 4.35Å; P54-Q57 WeakPolarHBondContact O-CB 3.22Å; P54-Q57 PolarHBondContact O-N 3.03Å; P54-E405 VanDerWaalsContact CA-O 3.31Å; P54-E405 WeakPolarHBondContact CA-O 3.4Å
55	Y	90.4	Very high	77.3	Confident	4 Å²	4	78.2 Å²	78.2	2%	0.016	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-52.6	-38.2	-177.6	-73.9	-69.8	0	0	0	113.4	I53 Q57 L58 Q86 G87 F88 S401 D403 E405 N406 F407	I53-Y55 PolarHBondContact O-N 3.48Å; Y55-Q57 PolarHBondContact O-N 3Å; Y55-Q57 VanDerWaalsContact O-N 3.13Å; Y55-L58 PolarHBondContact O-N 3.16Å; Y55-Q86 HydrophobicContact CE1-CG 4.15Å; Y55-Q86 HydrophobicContact CE2-CG 4.37Å; Y55-Q86 PolarHBondContact OH-NE2 2.88Å; Y55-Q86 VanDerWaalsContact OH-NE2 3.07Å; Y55-G87 CarbonylContact C-O 3.06Å; Y55-F88 HydrophobicContact CD1-CD1 4.09Å; Y55-F88 AromaticContact CD1-CD2 3.78Å; Y55-F88 HydrophobicContact CD1-CD2 3.78Å; Y55-F88 AromaticContact CD1-CE1 3.71Å; Y55-F88 HydrophobicContact CD1-CE1 3.71Å; Y55-F88 AromaticContact CD1-CE2 3.36Å; Y55-F88 HydrophobicContact CD1-CE2 3.36Å; Y55-F88 HydrophobicContact CD1-CG 4.14Å; Y55-F88 AromaticContact CD1-CZ 3.34Å; Y55-F88 HydrophobicContact CD1-CZ 3.34Å; Y55-F88 HydrophobicContact CE1-CD2 4.18Å; Y55-F88 HydrophobicContact CE1-CE1 4.16Å; Y55-F88 AromaticContact CE1-CE2 3.35Å; Y55-F88 HydrophobicContact CE1-CE2 3.35Å; Y55-F88 AromaticContact CE1-CZ 3.36Å; Y55-F88 HydrophobicContact CE1-CZ 3.36Å; Y55-S401 PolarHBondContact OH-O 3.19Å; Y55-S401 VanDerWaalsContact OH-O 3.09Å; Y55-D403 WeakPolarHBondContact CE2-O 3.39Å; Y55-D403 PolarHBondContact OH-O 3.12Å; Y55-E405 VanDerWaalsContact CD2-O 3.28Å; Y55-E405 WeakPolarHBondContact CD2-O 3.47Å; Y55-E405 PolarHBondContact N-O 3Å; Y55-N406 WeakPolarHBondContact CE2-O 3.07Å; Y55-N406 PolarHBondContact OH-O 3.28Å; Y55-F407 HydrophobicContact CD1-CB 3.89Å; Y55-F407 HydrophobicContact CE1-CB 3.62Å; Y55-F407 AromaticContact CE1-CD2 3.71Å; Y55-F407 HydrophobicContact CE1-CD2 3.71Å; Y55-F407 HydrophobicContact CE1-CG 4.09Å
56	K	89.8	Confident	79.9	Confident	169 Å²	169	73.7 Å²	73.7	74%	0.735	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-63.3	-18.9	-179.5	-64.3	-172.2	179	-175.9	0	114.3	P54 G87 N89	P54-K56 PolarHBondContact O-N 2.87Å; P54-K56 VanDerWaalsContact O-N 3.08Å; K56-G87 WeakPolarHBondContact CA-O 3.48Å; K56-G87 PolarHBondContact N-O 3.5Å; K56-N89 PolarHBondContact O-ND2 2.89Å
57	Q	91.9	Very high	82.6	Confident	132 Å²	132	65.8 Å²	65.8	62%	0.617	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-91	-10.5	177.7	-62.9	179.2	5.6	0	0	112.3	I53 P54 Y55	I53-Q57 HydrophobicContact CG2-CB 4.04Å; P54-Q57 HydrophobicContact CB-CG 4.35Å; P54-Q57 WeakPolarHBondContact O-CB 3.22Å; P54-Q57 PolarHBondContact O-N 3.03Å; Y55-Q57 PolarHBondContact O-N 3Å; Y55-Q57 VanDerWaalsContact O-N 3.13Å
58	L	93.8	Very high	85	Confident	18 Å²	18	62.2 Å²	62.2	9%	0.094	34%	0.344	C	S	.	.			trans	-101	137	-177.7	-65.5	171.3	0	0	0	110.8	I53 Y55 F88 N89 D124 F407	I53-L58 HydrophobicContact CB-CD1 4.28Å; I53-L58 HydrophobicContact CB-CD2 4.37Å; I53-L58 HydrophobicContact CB-CG 4.38Å; I53-L58 HydrophobicContact CD1-CD2 4.36Å; I53-L58 HydrophobicContact CG2-CD1 4.3Å; I53-L58 HydrophobicContact CG2-CD2 3.91Å; I53-L58 HydrophobicContact CG2-CG 3.88Å; Y55-L58 PolarHBondContact O-N 3.16Å; L58-F88 HydrophobicContact CB-CD1 3.89Å; L58-F88 HydrophobicContact CB-CE1 4Å; L58-F88 HydrophobicContact CD1-CE1 4.01Å; L58-N89 PolarHBondContact O-N 3.4Å; L58-N89 VanDerWaalsContact O-N 3.14Å; L58-D124 HydrophobicContact CD2-CB 3.82Å; L58-F407 HydrophobicContact CD1-CB 3.47Å; L58-F407 VanDerWaalsContact CD1-CB 3.47Å; L58-F407 HydrophobicContact CD1-CD1 3.77Å; L58-F407 HydrophobicContact CD1-CG 3.95Å
59	T	96.8	Very high	87.4	Confident	36 Å²	36	61.1 Å²	61.1	22%	0.221	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.1	174.8	-52.9	0	0	0	0	110.6	N89 V91 D124 L125	T59-N89 CarbonylContact C-O 3.36Å; T59-N89 WeakPolarHBondContact CA-O 3.36Å; T59-N89 HydrophobicContact CG2-CB 4.41Å; T59-V91 HydrophobicContact CG2-CB 4.38Å; T59-V91 HydrophobicContact CG2-CG1 3.77Å; T59-V91 HydrophobicContact CG2-CG2 3.81Å; T59-D124 PolarHBondContact N-OD2 3.07Å; T59-D124 PolarHBondContact O-N 2.97Å; T59-D124 VanDerWaalsContact O-N 3.17Å; T59-L125 PolarHBondContact O-N 2.82Å
60	V	97.5	Very high	89.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121	173	-178.4	0	0	0	0	109.2	L75 L83 F88 N89 V90 V91 L125 V127	V60-L75 HydrophobicContact CG1-CD1 4.25Å; V60-L83 HydrophobicContact CG1-CD1 4.3Å; V60-F88 HydrophobicContact CG2-CB 3.93Å; V60-F88 HydrophobicContact CG2-CD1 3.59Å; V60-F88 HydrophobicContact CG2-CE1 4.15Å; V60-F88 HydrophobicContact CG2-CG 3.79Å; V60-N89 PolarHBondContact N-O 2.95Å; V60-V90 HydrophobicContact CB-CG2 4.38Å; V60-V90 WeakPolarHBondContact O-CA 3.23Å; V60-V91 PolarHBondContact O-N 3.05Å; V60-L125 CarbonylContact C-O 3.59Å; V60-L125 VanDerWaalsContact CA-O 3.22Å; V60-L125 WeakPolarHBondContact CA-O 3.45Å; V60-L125 HydrophobicContact CG1-CD2 3.97Å; V60-L125 HydrophobicContact CG2-CB 4.38Å; V60-L125 HydrophobicContact CG2-CD2 4.12Å; V60-V127 HydrophobicContact CG1-CG1 4.15Å; V60-V127 HydrophobicContact CG1-CG2 3.77Å
61	G	97.5	Very high	91.4	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.9	177.5	0	0	0	0	0	112.5	P63 V91 S123 L125 V127	G61-P63 WeakPolarHBondContact O-CD 3.28Å; G61-V91 WeakPolarHBondContact CA-O 3.27Å; G61-S123 WeakPolarHBondContact CA-OG 3.4Å; G61-L125 PolarHBondContact N-O 3.05Å; G61-V127 WeakPolarHBondContact O-CG2 3.34Å; G61-V127 PolarHBondContact O-N 2.77Å
62	V	97.8	Very high	92.6	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	90.2	175.5	-169.9	0	0	0	0	109.3	V73 A74 L75 V90 V91 V92 E93 V127	V62-V73 HydrophobicContact CG1-CG2 3.78Å; V62-A74 HydrophobicContact CG1-CB 4.37Å; V62-L75 HydrophobicContact CG1-CB 4.43Å; V62-L75 HydrophobicContact CG2-CB 4.05Å; V62-L75 HydrophobicContact CG2-CD1 3.66Å; V62-L75 HydrophobicContact CG2-CG 4.05Å; V62-V90 HydrophobicContact CG2-CG1 4.26Å; V62-V91 PolarHBondContact N-O 3.06Å; V62-V92 HydrophobicContact CB-CB 4.44Å; V62-V92 HydrophobicContact CB-CG1 4.28Å; V62-V92 HydrophobicContact CB-CG2 4.1Å; V62-V92 HydrophobicContact CG2-CG2 4.12Å; V62-E93 PolarHBondContact O-N 3.13Å; V62-V127 HydrophobicContact CB-CG2 4.48Å; V62-V127 HydrophobicContact CG2-CG2 3.78Å
63	P	96.3	Very high	93.5	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.013	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-77	160.2	178.1	34.5	-36.3	0	0	0	111.2	G61 E93 V120 L121 L126 V127 K128	G61-P63 WeakPolarHBondContact O-CD 3.28Å; P63-E93 WeakPolarHBondContact CA-OE2 3.44Å; P63-V120 HydrophobicContact CB-CG1 4.13Å; P63-L121 HydrophobicContact CB-CD2 4.04Å; P63-L121 HydrophobicContact CG-CD2 4.27Å; P63-L126 HydrophobicContact CG-CD1 3.99Å; P63-L126 HydrophobicContact CG-CG 4.37Å; P63-V127 WeakPolarHBondContact CD-O 3.5Å; P63-K128 HydrophobicContact CG-CD 4Å; P63-K128 HydrophobicContact CG-CG 3.5Å; P63-K128 VanDerWaalsContact CG-CG 3.5Å
64	K	95.1	Very high	93.9	Very high	73 Å²	73	51.4 Å²	51.4	32%	0.317	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-73.2	140.4	169.2	-176	171.5	-179	165	0	109.6	E93 A96	K64-E93 VanDerWaalsContact CB-CD 3.42Å; K64-E93 HydrophobicContact CB-CG 4.27Å; K64-E93 WeakPolarHBondContact CB-OE1 3.16Å; K64-E93 WeakPolarHBondContact CB-OE2 3.49Å; K64-E93 PolarHBondContact N-OE2 3.25Å; K64-A96 HydrophobicContact CB-CB 4.07Å
65	E	94.4	Very high	94.2	Very high	19 Å²	19	49.2 Å²	49.2	9%	0.089	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-77.4	131.4	174.6	-66.6	-64.3	173.8	0	0	111.1	E70 K128 V129 R130	E65-E70 HydrophobicContact CB-CB 4.01Å; E65-E70 HydrophobicContact CB-CG 3.54Å; E65-E70 HydrophobicContact CG-CG 3.77Å; E65-K128 IonicContact OE1-NZ 3.87Å; E65-K128 IonicContact OE2-NZ 3.1Å; E65-K128 PolarHBondContact OE2-NZ 3.33Å; E65-V129 HydrophobicContact CG-CB 4.33Å; E65-V129 HydrophobicContact CG-CG2 4.44Å; E65-V129 WeakPolarHBondContact OE1-CA 2.99Å; E65-V129 WeakPolarHBondContact OE1-CB 3.31Å; E65-V129 PolarHBondContact OE1-N 2.98Å; E65-R130 PolarHBondContact OE1-N 3.12Å
66	I	92.5	Very high	94.6	Very high	67 Å²	67	49.2 Å²	49.2	34%	0.344	23%	0.227	S	C	.	.			trans	-101.8	-6	-179.7	59.7	171.6	0	0	0	113.1	T133 E142	I66-T133 HydrophobicContact CD1-CG2 3.57Å; I66-T133 HydrophobicContact CG1-CG2 3.62Å; I66-E142 HydrophobicContact CD1-CG 3.99Å
67	F	89.9	Confident	94.9	Very high	93 Å²	93	41.9 Å²	41.9	41%	0.408	20%	0.197	S	C	.	.	S	Bend	trans	-65.6	139.1	177.1	-168.5	-86.6	0	0	0	110.5	N69 E70	F67-N69 PolarHBondContact O-N 2.78Å; F67-E70 HydrophobicContact CB-CB 4.15Å; F67-E70 WeakPolarHBondContact O-CB 3.31Å; F67-E70 PolarHBondContact O-N 3.02Å; F67-E70 VanDerWaalsContact O-N 3.1Å
68	Q	87.3	Confident	95	Very high	156 Å²	156	38.3 Å²	38.3	73%	0.729	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	129.7	-175.7	-167.3	-178.2	9.5	0	0	111.4	E70	Q68-E70 PolarHBondContact O-N 3.04Å; Q68-E70 VanDerWaalsContact O-N 3.17Å
69	N	87.8	Confident	95.1	Very high	92 Å²	92	37.5 Å²	37.5	49%	0.492	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	13	-179.3	-56.9	-37.3	0	0	0	116	F67 R71 S379	F67-N69 PolarHBondContact O-N 2.78Å; N69-R71 PolarHBondContact O-N 2.99Å; N69-S379 PolarHBondContact O-OG 2.77Å
70	E	93.2	Very high	95.1	Very high	20 Å²	20	35.8 Å²	35.8	9%	0.093	18%	0.175	C	C	.	.			trans	-74.9	123.1	169.1	-174.2	57.5	-98.7	0	0	109.8	E65 F67 Q68 R72 R130	E65-E70 HydrophobicContact CB-CB 4.01Å; E65-E70 HydrophobicContact CB-CG 3.54Å; E65-E70 HydrophobicContact CG-CG 3.77Å; F67-E70 HydrophobicContact CB-CB 4.15Å; F67-E70 WeakPolarHBondContact O-CB 3.31Å; F67-E70 PolarHBondContact O-N 3.02Å; F67-E70 VanDerWaalsContact O-N 3.1Å; Q68-E70 PolarHBondContact O-N 3.04Å; Q68-E70 VanDerWaalsContact O-N 3.17Å; E70-R72 VanDerWaalsContact OE1-CB 3.26Å; E70-R72 WeakPolarHBondContact OE1-CB 3.5Å; E70-R72 WeakPolarHBondContact OE1-CG 3.44Å; E70-R72 IonicContact OE1-CZ 2.9Å; E70-R72 PolarHBondContact OE1-N 3.49Å; E70-R72 IonicContact OE1-NE 3.75Å; E70-R72 PolarHBondContact OE1-NE 3.19Å; E70-R72 IonicContact OE1-NH2 3.15Å; E70-R72 IonicContact OE2-CZ 2.6Å; E70-R72 IonicContact OE2-NE 3.39Å; E70-R72 IonicContact OE2-NH2 3.61Å; E70-R72 PolarHBondContact OE2-NH2 2.73Å; E70-R130 WeakPolarHBondContact OE2-CD 3.19Å
71	R	96.7	Very high	95	Very high	122 Å²	122	41.2 Å²	41.2	46%	0.46	20%	0.2	S	C	.	.			trans	-118.7	-7.9	-176.8	-61.1	179.3	-175.3	-175.5	0.6	112.4	N69 P99 S100 S379 P382	N69-R71 PolarHBondContact O-N 2.99Å; R71-P99 HydrophobicContact CB-CB 3.73Å; R71-P99 HydrophobicContact CG-CB 4.06Å; R71-P99 CarbonylContact O-C 3.57Å; R71-S100 PolarHBondContact O-N 3.1Å; R71-S100 PolarHBondContact O-OG 3.42Å; R71-S379 WeakPolarHBondContact CB-OG 3.37Å; R71-S379 PolarHBondContact N-OG 2.76Å; R71-P382 HydrophobicContact CB-CB 3.74Å; R71-P382 HydrophobicContact CB-CG 4.06Å; R71-P382 WeakPolarHBondContact O-CB 3.19Å
72	R	97.6	Very high	94.8	Very high	28 Å²	28	43 Å²	43	11%	0.106	22%	0.215	C	C	.	.			trans	-77.9	162.4	178.2	-60.3	173.1	-65.9	168.1	3.1	110.5	E70 S100 V129 M196 P382 S386	E70-R72 VanDerWaalsContact OE1-CB 3.26Å; E70-R72 WeakPolarHBondContact OE1-CB 3.5Å; E70-R72 WeakPolarHBondContact OE1-CG 3.44Å; E70-R72 IonicContact OE1-CZ 2.9Å; E70-R72 PolarHBondContact OE1-N 3.49Å; E70-R72 IonicContact OE1-NE 3.75Å; E70-R72 PolarHBondContact OE1-NE 3.19Å; E70-R72 IonicContact OE1-NH2 3.15Å; E70-R72 IonicContact OE2-CZ 2.6Å; E70-R72 IonicContact OE2-NE 3.39Å; E70-R72 IonicContact OE2-NH2 3.61Å; E70-R72 PolarHBondContact OE2-NH2 2.73Å; R72-S100 WeakPolarHBondContact CA-OG 3.37Å; R72-V129 HydrophobicContact CB-CG1 4.44Å; R72-V129 HydrophobicContact CB-CG2 4.19Å; R72-M196 PolarHBondContact NH1-SD 3.38Å; R72-P382 HydrophobicContact CG-CB 4.28Å; R72-S386 VanDerWaalsContact CA-OG 3.31Å; R72-S386 WeakPolarHBondContact CA-OG 3.23Å
73	V	97.8	Very high	94.6	Very high	2 Å²	2	43 Å²	43	1%	0.012	22%	0.215	C	C	.	.			trans	-132.4	146.6	173.8	63.5	0	0	0	0	108.8	V62 L75 A96 S100 F102 Y107 S386	V62-V73 HydrophobicContact CG1-CG2 3.78Å; V73-L75 PolarHBondContact O-N 2.67Å; V73-A96 HydrophobicContact CG2-CB 4.34Å; V73-S100 PolarHBondContact N-OG 2.95Å; V73-F102 HydrophobicContact CG1-CD2 4.04Å; V73-Y107 WeakPolarHBondContact CG1-OH 3.37Å; V73-S386 PolarHBondContact N-OG 3.17Å; V73-S386 WeakPolarHBondContact O-CB 3.35Å; V73-S386 PolarHBondContact O-OG 2.66Å
74	A	97.4	Very high	94.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	23%	0.229	C	C	.	.	S	Bend	trans	-66.8	-37.5	-172.2	0	0	0	0	0	112.8	V62 V127 V129 Y389 S390 I393	V62-A74 HydrophobicContact CG1-CB 4.37Å; A74-V127 HydrophobicContact CB-CB 4.12Å; A74-V127 HydrophobicContact CB-CG2 4.15Å; A74-V127 VanDerWaalsContact CB-O 3.26Å; A74-V127 WeakPolarHBondContact CB-O 3.26Å; A74-V129 HydrophobicContact CB-CG2 4.2Å; A74-Y389 HydrophobicContact CB-CE1 4.41Å; A74-S390 WeakPolarHBondContact O-CA 3.4Å; A74-I393 HydrophobicContact CB-CD1 4.32Å
75	L	97.8	Very high	94.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.253	C	S	.	.			trans	-123.3	133.6	177.8	-66.1	-177.7	0	0	0	111.8	V60 V62 V73 V80 L83 Y107 V127 I393	V60-L75 HydrophobicContact CG1-CD1 4.25Å; V62-L75 HydrophobicContact CG1-CB 4.43Å; V62-L75 HydrophobicContact CG2-CB 4.05Å; V62-L75 HydrophobicContact CG2-CD1 3.66Å; V62-L75 HydrophobicContact CG2-CG 4.05Å; V73-L75 PolarHBondContact O-N 2.67Å; L75-V80 HydrophobicContact CB-CG2 4.1Å; L75-V80 HydrophobicContact CD1-CG2 4.39Å; L75-L83 HydrophobicContact CD1-CD1 3.56Å; L75-L83 HydrophobicContact CD2-CD1 4.32Å; L75-Y107 WeakPolarHBondContact O-CE1 3.43Å; L75-Y107 PolarHBondContact O-OH 3.21Å; L75-V127 HydrophobicContact CD1-CG2 3.87Å; L75-V127 HydrophobicContact CG-CG2 3.91Å; L75-I393 HydrophobicContact CD2-CB 4.38Å; L75-I393 HydrophobicContact CD2-CG2 4.16Å
76	S	97.5	Very high	93.9	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.021	26%	0.257	C	S	.	.			trans	-82.7	162.4	165.8	67.5	0	0	0	0	110.3	A78 G79 V80 S390	S76-A78 PolarHBondContact O-N 3.11Å; S76-G79 PolarHBondContact O-N 3.13Å; S76-G79 PolarHBondContact OG-N 3.5Å; S76-V80 PolarHBondContact O-N 2.79Å; S76-S390 PolarHBondContact N-OG 3.18Å; S76-S390 VanDerWaalsContact N-OG 3.08Å; S76-S390 PolarHBondContact OG-OG 2.97Å
77	P	97.3	Very high	93.9	Very high	16 Å²	16	49.9 Å²	49.9	10%	0.104	25%	0.25	C	S	.	.	H	α-helix	trans	-53.4	-35.4	173.9	-28.5	36	0	0	0	113.8	V80 Q81 F102 Q106 Y107 A110	P77-V80 WeakPolarHBondContact O-CB 3.29Å; P77-V80 PolarHBondContact O-N 3.04Å; P77-Q81 WeakPolarHBondContact O-CG 3.49Å; P77-Q81 PolarHBondContact O-N 3.32Å; P77-F102 HydrophobicContact CG-CB 4.29Å; P77-F102 HydrophobicContact CG-CD1 4.05Å; P77-F102 HydrophobicContact CG-CG 4.22Å; P77-Q106 HydrophobicContact CB-CB 4.32Å; P77-Q106 HydrophobicContact CG-CB 3.82Å; P77-Y107 HydrophobicContact CG-CD1 4.37Å; P77-Y107 HydrophobicContact CG-CE1 4.23Å; P77-A110 HydrophobicContact CB-CB 4.26Å; P77-A110 WeakPolarHBondContact O-CB 3.23Å
78	A	94.1	Very high	94.1	Very high	57 Å²	57	45.7 Å²	45.7	47%	0.471	23%	0.232	S	C	.	.	H	α-helix	trans	-65.7	-40.5	175.4	0	0	0	0	0	112.6	S76 V80 Q81 A82	S76-A78 PolarHBondContact O-N 3.11Å; A78-V80 VanDerWaalsContact C-N 3.33Å; A78-Q81 PolarHBondContact O-N 3.34Å; A78-A82 PolarHBondContact O-N 2.94Å; A78-A82 VanDerWaalsContact O-N 3.09Å
79	G	95.4	Very high	94.6	Very high	1 Å²	1	42 Å²	42	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-36	173.9	0	0	0	0	0	112.8	S76 A82 L83 S390	S76-G79 PolarHBondContact O-N 3.13Å; S76-G79 PolarHBondContact OG-N 3.5Å; G79-A82 PolarHBondContact O-N 3.11Å; G79-L83 WeakPolarHBondContact O-CG 3.38Å; G79-L83 PolarHBondContact O-N 3.42Å; G79-S390 WeakPolarHBondContact CA-OG 3.44Å
80	V	96.7	Very high	95	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-49.5	173	170	0	0	0	0	111.1	L75 S76 P77 A78 A82 L83 I84 V90 Y107 A110 A112	L75-V80 HydrophobicContact CB-CG2 4.1Å; L75-V80 HydrophobicContact CD1-CG2 4.39Å; S76-V80 PolarHBondContact O-N 2.79Å; P77-V80 WeakPolarHBondContact O-CB 3.29Å; P77-V80 PolarHBondContact O-N 3.04Å; A78-V80 VanDerWaalsContact C-N 3.33Å; V80-A82 PolarHBondContact O-N 3.01Å; V80-L83 PolarHBondContact O-N 3.37Å; V80-I84 HydrophobicContact CG1-CD1 3.67Å; V80-I84 HydrophobicContact CG1-CG1 4.45Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 3.39Å; V80-V90 HydrophobicContact CG1-CB 4.2Å; V80-V90 HydrophobicContact CG1-CG1 4.12Å; V80-V90 HydrophobicContact CG1-CG2 4.42Å; V80-V90 HydrophobicContact CG2-CG1 4.02Å; V80-Y107 HydrophobicContact CG2-CD1 3.85Å; V80-Y107 HydrophobicContact CG2-CE1 4.03Å; V80-A110 HydrophobicContact CB-CB 4.14Å; V80-A110 HydrophobicContact CG1-CB 3.82Å; V80-A112 HydrophobicContact CG1-CB 3.71Å
81	Q	95.2	Very high	95.2	Very high	113 Å²	113	37.3 Å²	37.3	53%	0.528	19%	0.193	S	C	.	.	H	α-helix	trans	-56.7	-40.4	176	-71.7	178	-3.5	0	0	111.9	P77 A78 K85 A110	P77-Q81 WeakPolarHBondContact O-CG 3.49Å; P77-Q81 PolarHBondContact O-N 3.32Å; A78-Q81 PolarHBondContact O-N 3.34Å; Q81-K85 VanDerWaalsContact O-CB 3.27Å; Q81-K85 WeakPolarHBondContact O-CB 3.46Å; Q81-K85 PolarHBondContact O-N 3.21Å; Q81-A110 HydrophobicContact CG-CB 3.67Å
82	A	92.9	Very high	95.3	Very high	38 Å²	38	31.5 Å²	31.5	31%	0.314	17%	0.171	S	C	.	.	H	α-helix	trans	-65.8	-43.2	179.3	0	0	0	0	0	112.9	A78 G79 V80 K85 Q86 T394	A78-A82 PolarHBondContact O-N 2.94Å; A78-A82 VanDerWaalsContact O-N 3.09Å; G79-A82 PolarHBondContact O-N 3.11Å; V80-A82 PolarHBondContact O-N 3.01Å; A82-K85 PolarHBondContact O-N 3.39Å; A82-Q86 PolarHBondContact O-N 2.8Å; A82-T394 HydrophobicContact CB-CG2 3.61Å
83	L	93.4	Very high	95.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.1	-36.7	177.9	-67.4	-178.8	0	0	0	112.6	V60 L75 G79 V80 K85 Q86 G87 F88 V90 T394 L397	V60-L83 HydrophobicContact CG1-CD1 4.3Å; L75-L83 HydrophobicContact CD1-CD1 3.56Å; L75-L83 HydrophobicContact CD2-CD1 4.32Å; G79-L83 WeakPolarHBondContact O-CG 3.38Å; G79-L83 PolarHBondContact O-N 3.42Å; V80-L83 PolarHBondContact O-N 3.37Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-Q86 WeakPolarHBondContact O-CB 3.47Å; L83-Q86 PolarHBondContact O-N 3.02Å; L83-G87 PolarHBondContact O-N 3.05Å; L83-F88 HydrophobicContact CB-CB 4.46Å; L83-F88 HydrophobicContact CB-CD2 4.29Å; L83-F88 HydrophobicContact CD2-CD2 4.19Å; L83-F88 HydrophobicContact CD2-CE2 4.33Å; L83-F88 PolarHBondContact O-N 2.78Å; L83-F88 VanDerWaalsContact O-N 3.09Å; L83-V90 HydrophobicContact CB-CG2 4.18Å; L83-T394 HydrophobicContact CD2-CG2 4.23Å; L83-L397 HydrophobicContact CD1-CD1 4.47Å; L83-L397 HydrophobicContact CD2-CD1 3.96Å
84	I	94.1	Very high	95.2	Very high	57 Å²	57	34.4 Å²	34.4	29%	0.292	19%	0.193	S	C	.	.	H	α-helix	trans	-64.7	-41.8	173.3	-70	170.8	0	0	0	110.5	V80 Q86 G87 V90 A110 G111	V80-I84 HydrophobicContact CG1-CD1 3.67Å; V80-I84 HydrophobicContact CG1-CG1 4.45Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 3.39Å; I84-Q86 PolarHBondContact O-N 2.91Å; I84-G87 WeakPolarHBondContact O-CA 3.45Å; I84-G87 PolarHBondContact O-N 3.19Å; I84-V90 HydrophobicContact CD1-CB 4.47Å; I84-V90 HydrophobicContact CD1-CG2 4.38Å; I84-V90 HydrophobicContact CG1-CB 4.4Å; I84-V90 HydrophobicContact CG1-CG2 3.83Å; I84-A110 VanDerWaalsContact CD1-O 3.3Å; I84-A110 WeakPolarHBondContact CD1-O 3.33Å; I84-G111 WeakPolarHBondContact CD1-O 3.48Å
85	K	90.8	Very high	95.1	Very high	193 Å²	193	34.5 Å²	34.5	84%	0.839	19%	0.194	S	C	*	.	H	α-helix	trans	-61.9	-32.1	173.8	-173.4	178.2	-174.1	178.8	0	112.4	Q81 A82 L83 G87	Q81-K85 VanDerWaalsContact O-CB 3.27Å; Q81-K85 WeakPolarHBondContact O-CB 3.46Å; Q81-K85 PolarHBondContact O-N 3.21Å; A82-K85 PolarHBondContact O-N 3.39Å; L83-K85 VanDerWaalsContact C-N 3.34Å; K85-G87 VanDerWaalsContact C-N 3.33Å
86	Q	87.5	Confident	94.9	Very high	37 Å²	37	34.6 Å²	34.6	17%	0.173	20%	0.195	C	C	.	.	H	α-helix	trans	-73.4	-25.3	172.9	-171.6	171.3	-3.1	0	0	112.4	Y55 A82 L83 I84 F88	Y55-Q86 HydrophobicContact CE1-CG 4.15Å; Y55-Q86 HydrophobicContact CE2-CG 4.37Å; Y55-Q86 PolarHBondContact OH-NE2 2.88Å; Y55-Q86 VanDerWaalsContact OH-NE2 3.07Å; A82-Q86 PolarHBondContact O-N 2.8Å; L83-Q86 WeakPolarHBondContact O-CB 3.47Å; L83-Q86 PolarHBondContact O-N 3.02Å; I84-Q86 PolarHBondContact O-N 2.91Å; Q86-F88 HydrophobicContact CG-CE2 4.43Å
87	G	91.8	Very high	94.8	Very high	19 Å²	19	34.5 Å²	34.5	20%	0.196	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	121.8	2.6	170.2	0	0	0	0	0	115.4	Y55 K56 L83 I84 K85	Y55-G87 CarbonylContact C-O 3.06Å; K56-G87 WeakPolarHBondContact CA-O 3.48Å; K56-G87 PolarHBondContact N-O 3.5Å; L83-G87 PolarHBondContact O-N 3.05Å; I84-G87 WeakPolarHBondContact O-CA 3.45Å; I84-G87 PolarHBondContact O-N 3.19Å; K85-G87 VanDerWaalsContact C-N 3.33Å
88	F	94.8	Very high	94.7	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.018	21%	0.214	C	C	.	.			trans	-72.2	151.5	175.8	-71.9	-80.8	0	0	0	111.7	Y55 L58 V60 L83 Q86 F407	Y55-F88 HydrophobicContact CD1-CD1 4.09Å; Y55-F88 AromaticContact CD1-CD2 3.78Å; Y55-F88 HydrophobicContact CD1-CD2 3.78Å; Y55-F88 AromaticContact CD1-CE1 3.71Å; Y55-F88 HydrophobicContact CD1-CE1 3.71Å; Y55-F88 AromaticContact CD1-CE2 3.36Å; Y55-F88 HydrophobicContact CD1-CE2 3.36Å; Y55-F88 HydrophobicContact CD1-CG 4.14Å; Y55-F88 AromaticContact CD1-CZ 3.34Å; Y55-F88 HydrophobicContact CD1-CZ 3.34Å; Y55-F88 HydrophobicContact CE1-CD2 4.18Å; Y55-F88 HydrophobicContact CE1-CE1 4.16Å; Y55-F88 AromaticContact CE1-CE2 3.35Å; Y55-F88 HydrophobicContact CE1-CE2 3.35Å; Y55-F88 AromaticContact CE1-CZ 3.36Å; Y55-F88 HydrophobicContact CE1-CZ 3.36Å; L58-F88 HydrophobicContact CB-CD1 3.89Å; L58-F88 HydrophobicContact CB-CE1 4Å; L58-F88 HydrophobicContact CD1-CE1 4.01Å; V60-F88 HydrophobicContact CG2-CB 3.93Å; V60-F88 HydrophobicContact CG2-CD1 3.59Å; V60-F88 HydrophobicContact CG2-CE1 4.15Å; V60-F88 HydrophobicContact CG2-CG 3.79Å; L83-F88 HydrophobicContact CB-CB 4.46Å; L83-F88 HydrophobicContact CB-CD2 4.29Å; L83-F88 HydrophobicContact CD2-CD2 4.19Å; L83-F88 HydrophobicContact CD2-CE2 4.33Å; L83-F88 PolarHBondContact O-N 2.78Å; L83-F88 VanDerWaalsContact O-N 3.09Å; Q86-F88 HydrophobicContact CG-CE2 4.43Å; F88-F407 HydrophobicContact CE1-CG 4.42Å; F88-F407 HydrophobicContact CZ-CB 4.48Å; F88-F407 AromaticContact CZ-CD2 3.78Å; F88-F407 HydrophobicContact CZ-CD2 3.78Å; F88-F407 HydrophobicContact CZ-CE2 4.13Å; F88-F407 HydrophobicContact CZ-CG 4.1Å
89	N	96.3	Very high	94.8	Very high	79 Å²	79	38.7 Å²	38.7	42%	0.422	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	138.4	159.5	-54	-59.4	0	0	0	108.5	K56 L58 T59 V60	K56-N89 PolarHBondContact O-ND2 2.89Å; L58-N89 PolarHBondContact O-N 3.4Å; L58-N89 VanDerWaalsContact O-N 3.14Å; T59-N89 CarbonylContact C-O 3.36Å; T59-N89 WeakPolarHBondContact CA-O 3.36Å; T59-N89 HydrophobicContact CG2-CB 4.41Å; V60-N89 PolarHBondContact N-O 2.95Å
90	V	97.6	Very high	94.8	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.4	179.2	-175.3	0	0	0	0	109.8	V60 V62 V80 L83 I84 V92 A112 T113	V60-V90 HydrophobicContact CB-CG2 4.38Å; V60-V90 WeakPolarHBondContact O-CA 3.23Å; V62-V90 HydrophobicContact CG2-CG1 4.26Å; V80-V90 HydrophobicContact CG1-CB 4.2Å; V80-V90 HydrophobicContact CG1-CG1 4.12Å; V80-V90 HydrophobicContact CG1-CG2 4.42Å; V80-V90 HydrophobicContact CG2-CG1 4.02Å; L83-V90 HydrophobicContact CB-CG2 4.18Å; I84-V90 HydrophobicContact CD1-CB 4.47Å; I84-V90 HydrophobicContact CD1-CG2 4.38Å; I84-V90 HydrophobicContact CG1-CB 4.4Å; I84-V90 HydrophobicContact CG1-CG2 3.83Å; V90-V92 HydrophobicContact CG1-CG2 4.2Å; V90-A112 HydrophobicContact CB-CB 4.15Å; V90-A112 HydrophobicContact CG1-CB 4.1Å; V90-A112 VanDerWaalsContact O-CA 3.31Å; V90-A112 WeakPolarHBondContact O-CA 3.32Å; V90-A112 WeakPolarHBondContact O-CB 3.41Å; V90-T113 PolarHBondContact O-N 2.91Å
91	V	97.5	Very high	94.8	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.055	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.9	172.5	-59.7	0	0	0	0	109.8	T59 V60 G61 V62 T113 K115 V120 S123	T59-V91 HydrophobicContact CG2-CB 4.38Å; T59-V91 HydrophobicContact CG2-CG1 3.77Å; T59-V91 HydrophobicContact CG2-CG2 3.81Å; V60-V91 PolarHBondContact O-N 3.05Å; G61-V91 WeakPolarHBondContact CA-O 3.27Å; V62-V91 PolarHBondContact N-O 3.06Å; V91-T113 VanDerWaalsContact CA-O 3.27Å; V91-T113 WeakPolarHBondContact CA-O 3.29Å; V91-K115 HydrophobicContact CB-CD 4.35Å; V91-K115 HydrophobicContact CG1-CD 4.09Å; V91-V120 HydrophobicContact CG2-CG2 4.3Å; V91-S123 WeakPolarHBondContact CG2-OG 3.34Å
92	V	97.8	Very high	94.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	136	-176.7	-176.7	0	0	0	0	108.5	V62 V90 A96 Y107 A112 T113 I114 K115	V62-V92 HydrophobicContact CB-CB 4.44Å; V62-V92 HydrophobicContact CB-CG1 4.28Å; V62-V92 HydrophobicContact CB-CG2 4.1Å; V62-V92 HydrophobicContact CG2-CG2 4.12Å; V90-V92 HydrophobicContact CG1-CG2 4.2Å; V92-A96 HydrophobicContact CG1-CB 4.05Å; V92-Y107 HydrophobicContact CG1-CD1 4.31Å; V92-Y107 HydrophobicContact CG1-CD2 4.28Å; V92-Y107 HydrophobicContact CG1-CE1 4.48Å; V92-Y107 HydrophobicContact CG1-CE2 4.45Å; V92-Y107 HydrophobicContact CG1-CG 4.19Å; V92-Y107 HydrophobicContact CG2-CD1 3.87Å; V92-Y107 HydrophobicContact CG2-CE1 4.4Å; V92-Y107 HydrophobicContact CG2-CG 4.21Å; V92-A112 HydrophobicContact CG2-CB 3.85Å; V92-T113 PolarHBondContact N-O 3.42Å; V92-I114 HydrophobicContact CB-CD1 4.12Å; V92-I114 WeakPolarHBondContact O-CA 3.45Å; V92-K115 PolarHBondContact O-N 3.44Å
93	E	97.3	Very high	95.1	Very high	27 Å²	27	42.1 Å²	42.1	13%	0.126	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	137.7	174.5	-178.4	-176.5	157.6	0	0	110.4	V62 P63 K64 G95 A96 K115 V117 V120	V62-E93 PolarHBondContact O-N 3.13Å; P63-E93 WeakPolarHBondContact CA-OE2 3.44Å; K64-E93 VanDerWaalsContact CB-CD 3.42Å; K64-E93 HydrophobicContact CB-CG 4.27Å; K64-E93 WeakPolarHBondContact CB-OE1 3.16Å; K64-E93 WeakPolarHBondContact CB-OE2 3.49Å; K64-E93 PolarHBondContact N-OE2 3.25Å; E93-G95 PolarHBondContact O-N 2.86Å; E93-A96 HydrophobicContact CB-CB 4.27Å; E93-A96 WeakPolarHBondContact O-CB 3.21Å; E93-A96 PolarHBondContact O-N 3.01Å; E93-K115 WeakPolarHBondContact CA-O 3.32Å; E93-V117 HydrophobicContact CG-CB 4.31Å; E93-V120 HydrophobicContact CB-CB 4.46Å; E93-V120 HydrophobicContact CB-CG1 4.44Å; E93-V120 HydrophobicContact CB-CG2 4.08Å
94	S	96	Very high	95.2	Very high	63 Å²	63	43.6 Å²	43.6	44%	0.441	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	130	177.9	-173.2	0	0	0	0	111.8	A96 D104 K115	S94-A96 VanDerWaalsContact C-N 3.27Å; S94-A96 PolarHBondContact O-N 3.36Å; S94-D104 VanDerWaalsContact CA-OD2 3.25Å; S94-D104 WeakPolarHBondContact CA-OD2 3.42Å; S94-D104 WeakPolarHBondContact CB-OD2 3.34Å; S94-D104 PolarHBondContact OG-OD2 3.18Å; S94-K115 PolarHBondContact N-O 3.49Å; S94-K115 VanDerWaalsContact N-O 3.16Å
95	G	94.9	Very high	95.4	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.031	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	12.9	-178.8	0	0	0	0	0	114.9	E93 G97 D104	E93-G95 PolarHBondContact O-N 2.86Å; G95-G97 VanDerWaalsContact C-N 3.34Å; G95-G97 PolarHBondContact O-N 2.83Å; G95-D104 PolarHBondContact N-OD1 3.35Å; G95-D104 PolarHBondContact N-OD2 2.99Å
96	A	94.8	Very high	95.6	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	22%	0.217	C	C	.	.	S	Bend	trans	-62.9	-38.7	178.5	0	0	0	0	0	112.7	K64 V73 V92 E93 S94	K64-A96 HydrophobicContact CB-CB 4.07Å; V73-A96 HydrophobicContact CG2-CB 4.34Å; V92-A96 HydrophobicContact CG1-CB 4.05Å; E93-A96 HydrophobicContact CB-CB 4.27Å; E93-A96 WeakPolarHBondContact O-CB 3.21Å; E93-A96 PolarHBondContact O-N 3.01Å; S94-A96 VanDerWaalsContact C-N 3.27Å; S94-A96 PolarHBondContact O-N 3.36Å
97	G	94.6	Very high	96.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-91	-8.1	-177	0	0	0	0	0	115.5	G95 S100 K101 F102	G95-G97 VanDerWaalsContact C-N 3.34Å; G95-G97 PolarHBondContact O-N 2.83Å; G97-S100 CarbonylContact O-C 3.59Å; G97-S100 WeakPolarHBondContact O-CA 3.43Å; G97-S100 WeakPolarHBondContact O-CB 3.31Å; G97-S100 PolarHBondContact O-N 2.81Å; G97-K101 PolarHBondContact O-N 3.38Å; G97-K101 VanDerWaalsContact O-N 3.09Å; G97-F102 CarbonylContact C-O 3.56Å; G97-F102 VanDerWaalsContact CA-O 3.29Å; G97-F102 WeakPolarHBondContact CA-O 3.4Å; G97-F102 PolarHBondContact O-N 3.14Å
98	E	94.9	Very high	96.2	Very high	114 Å²	114	41.5 Å²	41.5	53%	0.533	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-54.6	-45.6	-174.8	-74.4	177.1	172.8	0	0	113.6	S100 K101 F102	E98-S100 PolarHBondContact O-N 3.11Å; E98-K101 PolarHBondContact O-N 3.15Å; E98-F102 PolarHBondContact N-O 3.03Å
99	P	95.7	Very high	96.2	Very high	47 Å²	47	48.9 Å²	48.9	31%	0.305	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-66.1	-24.6	178.1	-20.7	35.3	0	0	0	113.2	R71 K101 P382	R71-P99 HydrophobicContact CB-CB 3.73Å; R71-P99 HydrophobicContact CG-CB 4.06Å; R71-P99 CarbonylContact O-C 3.57Å; P99-K101 VanDerWaalsContact C-N 3.34Å; P99-P382 WeakPolarHBondContact O-CG 3.39Å
100	S	95.7	Very high	96.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-87.1	2	173.2	-78.1	0	0	0	0	114	R71 R72 V73 G97 E98 F102 T383 S386	R71-S100 PolarHBondContact O-N 3.1Å; R71-S100 PolarHBondContact O-OG 3.42Å; R72-S100 WeakPolarHBondContact CA-OG 3.37Å; V73-S100 PolarHBondContact N-OG 2.95Å; G97-S100 CarbonylContact O-C 3.59Å; G97-S100 WeakPolarHBondContact O-CA 3.43Å; G97-S100 WeakPolarHBondContact O-CB 3.31Å; G97-S100 PolarHBondContact O-N 2.81Å; E98-S100 PolarHBondContact O-N 3.11Å; S100-F102 VanDerWaalsContact C-N 3.34Å; S100-T383 WeakPolarHBondContact O-CB 3.47Å; S100-T383 PolarHBondContact O-OG1 2.78Å; S100-S386 PolarHBondContact OG-OG 2.94Å
101	K	97.2	Very high	96	Very high	157 Å²	157	47.5 Å²	47.5	68%	0.683	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	31.1	-176.5	-50.7	-59.2	-177.2	-176.4	0	114.3	G97 E98 P99	G97-K101 PolarHBondContact O-N 3.38Å; G97-K101 VanDerWaalsContact O-N 3.09Å; E98-K101 PolarHBondContact O-N 3.15Å; P99-K101 VanDerWaalsContact C-N 3.34Å
102	F	97.1	Very high	95.9	Very high	23 Å²	23	47.5 Å²	47.5	10%	0.101	26%	0.261	C	S	.	.			trans	-112.1	98.9	169.3	-59.2	-53	0	0	0	109.4	V73 P77 G97 E98 S100 Y107 T383	V73-F102 HydrophobicContact CG1-CD2 4.04Å; P77-F102 HydrophobicContact CG-CB 4.29Å; P77-F102 HydrophobicContact CG-CD1 4.05Å; P77-F102 HydrophobicContact CG-CG 4.22Å; G97-F102 CarbonylContact C-O 3.56Å; G97-F102 VanDerWaalsContact CA-O 3.29Å; G97-F102 WeakPolarHBondContact CA-O 3.4Å; G97-F102 PolarHBondContact O-N 3.14Å; E98-F102 PolarHBondContact N-O 3.03Å; S100-F102 VanDerWaalsContact C-N 3.34Å; F102-Y107 HydrophobicContact CB-CE2 3.72Å; F102-T383 HydrophobicContact CE1-CG2 4.01Å; F102-T383 HydrophobicContact CE2-CG2 4.29Å; F102-T383 HydrophobicContact CZ-CG2 3.61Å
103	P	96.9	Very high	95.9	Very high	45 Å²	45	51.3 Å²	51.3	29%	0.292	29%	0.285	S	S	.	.			trans	-70.4	156.7	177.5	30.5	-35.3	0	0	0	111.4	E105 Q106	P103-E105 PolarHBondContact O-N 2.97Å; P103-E105 VanDerWaalsContact O-N 3.12Å; P103-Q106 HydrophobicContact CG-CG 4Å; P103-Q106 PolarHBondContact O-N 2.86Å
104	D	96.9	Very high	95.9	Very high	30 Å²	30	52.6 Å²	52.6	16%	0.16	29%	0.292	C	S	.	.	H	α-helix	trans	-55.4	-31.7	-178	-72.2	1.5	0	0	0	112.7	S94 G95 Q106 Y107 A108 I114	S94-D104 VanDerWaalsContact CA-OD2 3.25Å; S94-D104 WeakPolarHBondContact CA-OD2 3.42Å; S94-D104 WeakPolarHBondContact CB-OD2 3.34Å; S94-D104 PolarHBondContact OG-OD2 3.18Å; G95-D104 PolarHBondContact N-OD1 3.35Å; G95-D104 PolarHBondContact N-OD2 2.99Å; D104-Q106 VanDerWaalsContact C-N 3.27Å; D104-Q106 PolarHBondContact O-N 3.49Å; D104-Y107 PolarHBondContact O-N 3.28Å; D104-Y107 VanDerWaalsContact O-N 3.15Å; D104-A108 PolarHBondContact O-N 2.74Å; D104-I114 HydrophobicContact CB-CD1 4.17Å; D104-I114 HydrophobicContact CB-CG1 4.23Å
105	E	96.4	Very high	95.8	Very high	132 Å²	132	53.7 Å²	53.7	62%	0.617	29%	0.289	S	S	*	.	H	α-helix	trans	-61.4	-34.4	177.3	-60.9	110.4	-179.4	0	0	112.9	P103 Y107 A108 Q109	P103-E105 PolarHBondContact O-N 2.97Å; P103-E105 VanDerWaalsContact O-N 3.12Å; E105-Y107 VanDerWaalsContact C-N 3.34Å; E105-A108 PolarHBondContact O-N 3.22Å; E105-Q109 WeakPolarHBondContact O-CB 3.46Å; E105-Q109 VanDerWaalsContact O-CG 3.25Å; E105-Q109 WeakPolarHBondContact O-CG 3.44Å; E105-Q109 PolarHBondContact O-N 3.17Å
106	Q	96.1	Very high	95.7	Very high	76 Å²	76	59.3 Å²	59.3	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-69.4	-34.9	177.8	-71.6	-178.4	3.7	0	0	111.6	P77 P103 D104 A110	P77-Q106 HydrophobicContact CB-CB 4.32Å; P77-Q106 HydrophobicContact CG-CB 3.82Å; P103-Q106 HydrophobicContact CG-CG 4Å; P103-Q106 PolarHBondContact O-N 2.86Å; D104-Q106 VanDerWaalsContact C-N 3.27Å; D104-Q106 PolarHBondContact O-N 3.49Å; Q106-A110 WeakPolarHBondContact O-CB 3.43Å; Q106-A110 PolarHBondContact O-N 2.92Å
107	Y	97.3	Very high	95.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68.7	-41.2	173.9	-71.8	-73.2	0	0	0	111.5	V73 L75 P77 V80 V92 F102 D104 E105 A110 G111 A112	V73-Y107 WeakPolarHBondContact CG1-OH 3.37Å; L75-Y107 WeakPolarHBondContact O-CE1 3.43Å; L75-Y107 PolarHBondContact O-OH 3.21Å; P77-Y107 HydrophobicContact CG-CD1 4.37Å; P77-Y107 HydrophobicContact CG-CE1 4.23Å; V80-Y107 HydrophobicContact CG2-CD1 3.85Å; V80-Y107 HydrophobicContact CG2-CE1 4.03Å; V92-Y107 HydrophobicContact CG1-CD1 4.31Å; V92-Y107 HydrophobicContact CG1-CD2 4.28Å; V92-Y107 HydrophobicContact CG1-CE1 4.48Å; V92-Y107 HydrophobicContact CG1-CE2 4.45Å; V92-Y107 HydrophobicContact CG1-CG 4.19Å; V92-Y107 HydrophobicContact CG2-CD1 3.87Å; V92-Y107 HydrophobicContact CG2-CE1 4.4Å; V92-Y107 HydrophobicContact CG2-CG 4.21Å; F102-Y107 HydrophobicContact CB-CE2 3.72Å; D104-Y107 PolarHBondContact O-N 3.28Å; D104-Y107 VanDerWaalsContact O-N 3.15Å; E105-Y107 VanDerWaalsContact C-N 3.34Å; Y107-A110 WeakPolarHBondContact O-CB 3.38Å; Y107-A110 PolarHBondContact O-N 3.47Å; Y107-G111 PolarHBondContact O-N 3.15Å; Y107-A112 WeakPolarHBondContact O-CB 3.44Å; Y107-A112 PolarHBondContact O-N 3.36Å
108	A	94.9	Very high	95.4	Very high	55 Å²	55	67 Å²	67	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-43.8	174.1	0	0	0	0	0	111.9	D104 E105 A110 G111	D104-A108 PolarHBondContact O-N 2.74Å; E105-A108 PolarHBondContact O-N 3.22Å; A108-A110 VanDerWaalsContact C-N 3.3Å; A108-A110 PolarHBondContact O-N 3.45Å; A108-G111 WeakPolarHBondContact O-CA 3.5Å; A108-G111 PolarHBondContact O-N 3.29Å
109	Q	94.9	Very high	95.2	Very high	159 Å²	159	66 Å²	66	74%	0.743	35%	0.352	S	S	*	.	H	α-helix	trans	-64.5	-32.8	175	-73.5	172.7	12.8	0	0	112.9	E105 G111	E105-Q109 WeakPolarHBondContact O-CB 3.46Å; E105-Q109 VanDerWaalsContact O-CG 3.25Å; E105-Q109 WeakPolarHBondContact O-CG 3.44Å; E105-Q109 PolarHBondContact O-N 3.17Å; Q109-G111 PolarHBondContact O-N 2.76Å
110	A	94.1	Very high	95.1	Very high	8 Å²	8	63.8 Å²	63.8	7%	0.066	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.4	172.7	0	0	0	0	0	113.4	P77 V80 Q81 I84 Q106 Y107 A108	P77-A110 HydrophobicContact CB-CB 4.26Å; P77-A110 WeakPolarHBondContact O-CB 3.23Å; V80-A110 HydrophobicContact CB-CB 4.14Å; V80-A110 HydrophobicContact CG1-CB 3.82Å; Q81-A110 HydrophobicContact CG-CB 3.67Å; I84-A110 VanDerWaalsContact CD1-O 3.3Å; I84-A110 WeakPolarHBondContact CD1-O 3.33Å; Q106-A110 WeakPolarHBondContact O-CB 3.43Å; Q106-A110 PolarHBondContact O-N 2.92Å; Y107-A110 WeakPolarHBondContact O-CB 3.38Å; Y107-A110 PolarHBondContact O-N 3.47Å; A108-A110 VanDerWaalsContact C-N 3.3Å; A108-A110 PolarHBondContact O-N 3.45Å
111	G	94.7	Very high	95	Very high	47 Å²	47	63.8 Å²	63.8	49%	0.485	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.1	6.3	177.8	0	0	0	0	0	115	I84 Y107 A108 Q109	I84-G111 WeakPolarHBondContact CD1-O 3.48Å; Y107-G111 PolarHBondContact O-N 3.15Å; A108-G111 WeakPolarHBondContact O-CA 3.5Å; A108-G111 PolarHBondContact O-N 3.29Å; Q109-G111 PolarHBondContact O-N 2.76Å
112	A	96.1	Very high	94.8	Very high	8 Å²	8	58.6 Å²	58.6	7%	0.066	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-78.7	156.3	173.8	0	0	0	0	0	112	V80 V90 V92 Y107	V80-A112 HydrophobicContact CG1-CB 3.71Å; V90-A112 HydrophobicContact CB-CB 4.15Å; V90-A112 HydrophobicContact CG1-CB 4.1Å; V90-A112 VanDerWaalsContact O-CA 3.31Å; V90-A112 WeakPolarHBondContact O-CA 3.32Å; V90-A112 WeakPolarHBondContact O-CB 3.41Å; V92-A112 HydrophobicContact CG2-CB 3.85Å; Y107-A112 WeakPolarHBondContact O-CB 3.44Å; Y107-A112 PolarHBondContact O-N 3.36Å
113	T	97	Very high	94.8	Very high	81 Å²	81	57.9 Å²	57.9	50%	0.497	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129	171.4	-52.9	0	0	0	0	110.1	V90 V91 V92 K115	V90-T113 PolarHBondContact O-N 2.91Å; V91-T113 VanDerWaalsContact CA-O 3.27Å; V91-T113 WeakPolarHBondContact CA-O 3.29Å; V92-T113 PolarHBondContact N-O 3.42Å; T113-K115 HydrophobicContact CG2-CG 4.27Å
114	I	97.3	Very high	94.7	Very high	53 Å²	53	57.5 Å²	57.5	27%	0.272	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	131.4	176	-49.9	-56.3	0	0	0	109.4	V92 D104	V92-I114 HydrophobicContact CB-CD1 4.12Å; V92-I114 WeakPolarHBondContact O-CA 3.45Å; D104-I114 HydrophobicContact CB-CD1 4.17Å; D104-I114 HydrophobicContact CB-CG1 4.23Å
115	K	95.3	Very high	94.7	Very high	86 Å²	86	56.2 Å²	56.2	37%	0.374	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	168.8	-177.6	-70.4	-162.8	177.6	-172.4	0	112.5	V91 V92 E93 S94 T113 D119 V120	V91-K115 HydrophobicContact CB-CD 4.35Å; V91-K115 HydrophobicContact CG1-CD 4.09Å; V92-K115 PolarHBondContact O-N 3.44Å; E93-K115 WeakPolarHBondContact CA-O 3.32Å; S94-K115 PolarHBondContact N-O 3.49Å; S94-K115 VanDerWaalsContact N-O 3.16Å; T113-K115 HydrophobicContact CG2-CG 4.27Å; K115-D119 HydrophobicContact CB-CB 4.22Å; K115-D119 HydrophobicContact CD-CB 3.85Å; K115-V120 HydrophobicContact CB-CG2 3.89Å
116	D	92.9	Very high	94.7	Very high	122 Å²	122	50 Å²	50	65%	0.652	28%	0.281	S	S	*	.			trans	-75.5	156.1	172.5	-70.2	-33.8	0	0	0	112.1	K118 D119 V120	D116-K118 VanDerWaalsContact C-N 3.31Å; D116-K118 PolarHBondContact O-N 2.97Å; D116-K118 VanDerWaalsContact O-N 3.14Å; D116-D119 PolarHBondContact O-N 2.85Å; D116-D119 VanDerWaalsContact O-N 3.07Å; D116-V120 PolarHBondContact O-N 2.85Å
117	V	92.1	Very high	94.8	Very high	35 Å²	35	46.4 Å²	46.4	21%	0.212	26%	0.264	C	S	.	.	H	α-helix	trans	-50.3	-41.8	-173.6	64.4	0	0	0	0	114.8	E93 D119 V120 L121 L138	E93-V117 HydrophobicContact CG-CB 4.31Å; V117-D119 PolarHBondContact O-N 3.1Å; V117-V120 PolarHBondContact O-N 3.39Å; V117-L121 HydrophobicContact CG2-CD1 3.89Å; V117-L121 HydrophobicContact CG2-CG 4.43Å; V117-L121 WeakPolarHBondContact O-CG 3.31Å; V117-L121 PolarHBondContact O-N 3.15Å; V117-L138 HydrophobicContact CG1-CD1 4.09Å; V117-L138 HydrophobicContact CG1-CD2 4.01Å; V117-L138 HydrophobicContact CG2-CD1 4Å
118	K	89.6	Confident	94.8	Very high	130 Å²	130	46.4 Å²	46.4	57%	0.565	26%	0.264	S	S	*	.	H	α-helix	trans	-66.6	-39.2	-177.9	-71.4	-176.2	179.1	178.5	0	112.2	D116 V120 A122	D116-K118 VanDerWaalsContact C-N 3.31Å; D116-K118 PolarHBondContact O-N 2.97Å; D116-K118 VanDerWaalsContact O-N 3.14Å; K118-V120 VanDerWaalsContact C-N 3.35Å; K118-A122 WeakPolarHBondContact O-CB 3.49Å; K118-A122 PolarHBondContact O-N 3.23Å
119	D	91	Very high	94.8	Very high	92 Å²	92	43.8 Å²	43.8	49%	0.492	24%	0.243	S	C	.	.	H	α-helix	trans	-72.1	-33.5	-179.9	-70.4	-19.6	0	0	0	111.5	K115 D116 V117	K115-D119 HydrophobicContact CB-CB 4.22Å; K115-D119 HydrophobicContact CD-CB 3.85Å; D116-D119 PolarHBondContact O-N 2.85Å; D116-D119 VanDerWaalsContact O-N 3.07Å; V117-D119 PolarHBondContact O-N 3.1Å
120	V	94.4	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70.9	-45.3	178.2	177.6	0	0	0	0	111	P63 V91 E93 K115 D116 V117 K118 A122 S123	P63-V120 HydrophobicContact CB-CG1 4.13Å; V91-V120 HydrophobicContact CG2-CG2 4.3Å; E93-V120 HydrophobicContact CB-CB 4.46Å; E93-V120 HydrophobicContact CB-CG1 4.44Å; E93-V120 HydrophobicContact CB-CG2 4.08Å; K115-V120 HydrophobicContact CB-CG2 3.89Å; D116-V120 PolarHBondContact O-N 2.85Å; V117-V120 PolarHBondContact O-N 3.39Å; K118-V120 VanDerWaalsContact C-N 3.35Å; V120-A122 PolarHBondContact O-N 2.88Å; V120-S123 VanDerWaalsContact O-CB 3.3Å; V120-S123 WeakPolarHBondContact O-CB 3.46Å; V120-S123 PolarHBondContact O-N 2.93Å; V120-S123 PolarHBondContact O-OG 2.84Å
121	L	93.3	Very high	94.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-24	177.2	-71	171.4	0	0	0	113.2	P63 V117 S123 L126 E142 L145	P63-L121 HydrophobicContact CB-CD2 4.04Å; P63-L121 HydrophobicContact CG-CD2 4.27Å; V117-L121 HydrophobicContact CG2-CD1 3.89Å; V117-L121 HydrophobicContact CG2-CG 4.43Å; V117-L121 WeakPolarHBondContact O-CG 3.31Å; V117-L121 PolarHBondContact O-N 3.15Å; L121-S123 VanDerWaalsContact C-N 3.26Å; L121-S123 PolarHBondContact O-N 2.91Å; L121-L126 HydrophobicContact CD2-CD1 4.24Å; L121-L126 HydrophobicContact CD2-CD2 3.84Å; L121-E142 HydrophobicContact CD1-CG 4.49Å; L121-L145 HydrophobicContact CB-CB 4.14Å; L121-L145 HydrophobicContact CD1-CB 3.95Å; L121-L145 HydrophobicContact CD1-CD1 3.74Å; L121-L145 HydrophobicContact CD1-CG 4.5Å
122	A	93.1	Very high	94.8	Very high	48 Å²	48	38.1 Å²	38.1	40%	0.397	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	14.1	177.2	0	0	0	0	0	114.7	K118 V120	K118-A122 WeakPolarHBondContact O-CB 3.49Å; K118-A122 PolarHBondContact O-N 3.23Å; V120-A122 PolarHBondContact O-N 2.88Å
123	S	96	Very high	94.6	Very high	7 Å²	7	40.3 Å²	40.3	5%	0.049	22%	0.217	C	C	.	.	S	Bend	trans	-72.8	160.9	179.5	-61.1	0	0	0	0	113.3	G61 V91 V120 L121	G61-S123 WeakPolarHBondContact CA-OG 3.4Å; V91-S123 WeakPolarHBondContact CG2-OG 3.34Å; V120-S123 VanDerWaalsContact O-CB 3.3Å; V120-S123 WeakPolarHBondContact O-CB 3.46Å; V120-S123 PolarHBondContact O-N 2.93Å; V120-S123 PolarHBondContact O-OG 2.84Å; L121-S123 VanDerWaalsContact C-N 3.26Å; L121-S123 PolarHBondContact O-N 2.91Å
124	D	95.4	Very high	94.4	Very high	37 Å²	37	41.8 Å²	41.8	20%	0.198	22%	0.217	C	C	.	.	S	Bend	trans	-69.7	-37.4	178.5	-55.1	-61.8	0	0	0	112.1	L58 T59 K147 S150 T151	L58-D124 HydrophobicContact CD2-CB 3.82Å; T59-D124 PolarHBondContact N-OD2 3.07Å; T59-D124 PolarHBondContact O-N 2.97Å; T59-D124 VanDerWaalsContact O-N 3.17Å; D124-K147 IonicContact OD1-NZ 3.76Å; D124-K147 PolarHBondContact OD1-NZ 3.09Å; D124-S150 WeakPolarHBondContact O-CA 3.45Å; D124-T151 PolarHBondContact O-N 3.37Å
125	L	95.9	Very high	94	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	117.5	176.3	-168.6	146.4	0	0	0	109.2	T59 V60 G61 V127 T151 L397 F407	T59-L125 PolarHBondContact O-N 2.82Å; V60-L125 CarbonylContact C-O 3.59Å; V60-L125 VanDerWaalsContact CA-O 3.22Å; V60-L125 WeakPolarHBondContact CA-O 3.45Å; V60-L125 HydrophobicContact CG1-CD2 3.97Å; V60-L125 HydrophobicContact CG2-CB 4.38Å; V60-L125 HydrophobicContact CG2-CD2 4.12Å; G61-L125 PolarHBondContact N-O 3.05Å; L125-V127 HydrophobicContact CD2-CG1 3.56Å; L125-T151 CarbonylContact C-O 3.57Å; L125-T151 VanDerWaalsContact CA-O 3.31Å; L125-T151 WeakPolarHBondContact CA-O 3.26Å; L125-T151 HydrophobicContact CD1-CG2 4.15Å; L125-T151 HydrophobicContact CG-CG2 4.28Å; L125-L397 HydrophobicContact CD1-CD2 4.19Å; L125-F407 HydrophobicContact CD1-CE1 3.92Å; L125-F407 HydrophobicContact CD1-CZ 3.89Å
126	L	97.1	Very high	93.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.6	178.9	-164.7	71.2	0	0	0	109.5	P63 L121 K128 M146 T151 L152 L153	P63-L126 HydrophobicContact CG-CD1 3.99Å; P63-L126 HydrophobicContact CG-CG 4.37Å; L121-L126 HydrophobicContact CD2-CD1 4.24Å; L121-L126 HydrophobicContact CD2-CD2 3.84Å; L126-K128 HydrophobicContact CD2-CD 4.05Å; L126-K128 HydrophobicContact CD2-CG 4.35Å; L126-K128 HydrophobicContact CG-CG 4.36Å; L126-M146 HydrophobicContact CD2-CG 4.28Å; L126-M146 HydrophobicContact CD2-SD 4.46Å; L126-T151 PolarHBondContact N-O 2.99Å; L126-L152 HydrophobicContact CB-CD1 4.23Å; L126-L152 HydrophobicContact CD2-CD1 4.1Å; L126-L152 HydrophobicContact CG-CD1 4.4Å; L126-L153 PolarHBondContact O-N 3.38Å
127	V	97.4	Very high	92.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.6	174.3	-69.9	0	0	0	0	109.6	V60 G61 V62 P63 A74 L75 L125 L153 I393	V60-V127 HydrophobicContact CG1-CG1 4.15Å; V60-V127 HydrophobicContact CG1-CG2 3.77Å; G61-V127 WeakPolarHBondContact O-CG2 3.34Å; G61-V127 PolarHBondContact O-N 2.77Å; V62-V127 HydrophobicContact CB-CG2 4.48Å; V62-V127 HydrophobicContact CG2-CG2 3.78Å; P63-V127 WeakPolarHBondContact CD-O 3.5Å; A74-V127 HydrophobicContact CB-CB 4.12Å; A74-V127 HydrophobicContact CB-CG2 4.15Å; A74-V127 VanDerWaalsContact CB-O 3.26Å; A74-V127 WeakPolarHBondContact CB-O 3.26Å; L75-V127 HydrophobicContact CD1-CG2 3.87Å; L75-V127 HydrophobicContact CG-CG2 3.91Å; L125-V127 HydrophobicContact CD2-CG1 3.56Å; V127-L153 HydrophobicContact CG1-CB 4.33Å; V127-I393 HydrophobicContact CB-CD1 4.33Å; V127-I393 HydrophobicContact CG1-CG2 3.99Å
128	K	97.7	Very high	92.5	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.236	C	C	.	.			trans	-120.4	160.2	175.7	-75.1	-178.5	63.1	73.5	0	110	P63 E65 L126 R130 P132 E142 L153 S154 Y389	P63-K128 HydrophobicContact CG-CD 4Å; P63-K128 HydrophobicContact CG-CG 3.5Å; P63-K128 VanDerWaalsContact CG-CG 3.5Å; E65-K128 IonicContact OE1-NZ 3.87Å; E65-K128 IonicContact OE2-NZ 3.1Å; E65-K128 PolarHBondContact OE2-NZ 3.33Å; L126-K128 HydrophobicContact CD2-CD 4.05Å; L126-K128 HydrophobicContact CD2-CG 4.35Å; L126-K128 HydrophobicContact CG-CG 4.36Å; K128-R130 VanDerWaalsContact CB-O 3.3Å; K128-R130 WeakPolarHBondContact CB-O 3.44Å; K128-R130 WeakPolarHBondContact CE-O 3.49Å; K128-P132 HydrophobicContact CD-CG 4.28Å; K128-E142 WeakPolarHBondContact CE-OE2 3.03Å; K128-E142 IonicContact NZ-OE1 2.98Å; K128-E142 PolarHBondContact NZ-OE1 3.24Å; K128-E142 IonicContact NZ-OE2 3.96Å; K128-E142 PolarHBondContact NZ-OE2 3.46Å; K128-L153 PolarHBondContact N-O 3.46Å; K128-S154 WeakPolarHBondContact O-CA 3.38Å; K128-Y389 WeakPolarHBondContact O-CE1 3.4Å; K128-Y389 PolarHBondContact O-OH 3.14Å; K128-Y389 VanDerWaalsContact O-OH 3.06Å
129	V	95.6	Very high	92.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-78.9	-56	168.3	-176.6	0	0	0	0	108.7	E65 R72 A74 F155 Y389	E65-V129 HydrophobicContact CG-CB 4.33Å; E65-V129 HydrophobicContact CG-CG2 4.44Å; E65-V129 WeakPolarHBondContact OE1-CA 2.99Å; E65-V129 WeakPolarHBondContact OE1-CB 3.31Å; E65-V129 PolarHBondContact OE1-N 2.98Å; R72-V129 HydrophobicContact CB-CG1 4.44Å; R72-V129 HydrophobicContact CB-CG2 4.19Å; A74-V129 HydrophobicContact CB-CG2 4.2Å; V129-F155 WeakPolarHBondContact O-CD2 3.41Å; V129-F155 PolarHBondContact O-N 3.3Å; V129-F155 VanDerWaalsContact O-N 3.15Å; V129-Y389 HydrophobicContact CB-CE1 4.24Å; V129-Y389 HydrophobicContact CG1-CE1 4.39Å; V129-Y389 HydrophobicContact CG2-CD1 4.12Å; V129-Y389 HydrophobicContact CG2-CE1 4.04Å; V129-Y389 PolarHBondContact O-OH 3.1Å
130	R	93.9	Very high	92.4	Very high	64 Å²	64	34.3 Å²	34.3	24%	0.242	22%	0.223	C	C	.	.	S	Bend	trans	-103.3	166.9	-178.4	-61	-166	74.2	150.7	6.8	111.7	E65 E70 K128 E350	E65-R130 PolarHBondContact OE1-N 3.12Å; E70-R130 WeakPolarHBondContact OE2-CD 3.19Å; K128-R130 VanDerWaalsContact CB-O 3.3Å; K128-R130 WeakPolarHBondContact CB-O 3.44Å; K128-R130 WeakPolarHBondContact CE-O 3.49Å; R130-E350 IonicContact NH2-OE1 2.73Å
131	A	94.3	Very high	92.4	Very high	26 Å²	26	35.6 Å²	35.6	22%	0.215	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-56.3	144.9	172.3	0	0	0	0	0	111.5	F155 L164	A131-F155 WeakPolarHBondContact CA-O 3.17Å; A131-F155 WeakPolarHBondContact CB-O 3.44Å; A131-F155 PolarHBondContact N-O 2.85Å; A131-L164 HydrophobicContact CB-CD2 3.59Å
132	P	94.5	Very high	92.4	Very high	6 Å²	6	35.9 Å²	35.9	4%	0.039	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-55.1	139.7	171	-26.7	35.2	0	0	0	112.6	K128 H141 E142 V143 L152 L164	K128-P132 HydrophobicContact CD-CG 4.28Å; P132-H141 PolarHBondContact O-CE1 2.86Å; P132-E142 WeakPolarHBondContact CA-OE2 3.42Å; P132-E142 HydrophobicContact CB-CB 3.94Å; P132-V143 HydrophobicContact CB-CG2 3.66Å; P132-V143 HydrophobicContact CG-CG2 4.21Å; P132-L152 HydrophobicContact CG-CD1 4.28Å; P132-L152 HydrophobicContact CG-CD2 3.66Å; P132-L164 HydrophobicContact CB-CD1 4.42Å
133	T	93.3	Very high	92.4	Very high	53 Å²	53	33.6 Å²	33.6	33%	0.325	21%	0.212	S	C	.	.			trans	-134.4	178.1	-178.5	-164	0	0	0	0	112.8	I66 H141 E142	I66-T133 HydrophobicContact CD1-CG2 3.57Å; I66-T133 HydrophobicContact CG1-CG2 3.62Å; T133-H141 WeakPolarHBondContact CA-NE2 3.42Å; T133-E142 PolarHBondContact N-OE2 3.41Å; T133-E142 WeakPolarHBondContact O-CG 3.38Å; T133-E142 PolarHBondContact O-N 3.02Å
134	F	91.7	Very high	92.2	Very high	113 Å²	113	37.6 Å²	37.6	50%	0.496	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128	174.6	-175.6	-98.9	0	0	0	110.2	P136 H141	F134-P136 HydrophobicContact CD1-CG 4.49Å; F134-P136 WeakPolarHBondContact O-CD 3.43Å; F134-H141 PolarHBondContact N-CD2 2.87Å
135	S	88.4	Confident	92	Very high	6 Å²	6	38 Å²	38	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	109.3	176.4	-179.4	0	0	0	0	110.7	A137 L138 G139 A140	S135-A137 PolarHBondContact O-N 2.97Å; S135-L138 PolarHBondContact O-N 2.98Å; S135-L138 PolarHBondContact OG-N 3.08Å; S135-G139 PolarHBondContact O-N 2.87Å; S135-A140 PolarHBondContact N-O 3.28Å
136	P	82.8	Confident	91.9	Very high	112 Å²	112	38.1 Å²	38.1	73%	0.727	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.8	174.8	-22	33.9	0	0	0	112.5	F134	F134-P136 HydrophobicContact CD1-CG 4.49Å; F134-P136 WeakPolarHBondContact O-CD 3.43Å
137	A	83.2	Confident	91.7	Very high	98 Å²	98	43 Å²	43	81%	0.81	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-32.8	-179.6	0	0	0	0	0	112.9	S135	S135-A137 PolarHBondContact O-N 2.97Å
138	L	84.4	Confident	91.4	Very high	62 Å²	62	48.1 Å²	48.1	33%	0.325	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-12.6	-179.7	-63.2	171.6	0	0	0	113	V117 S135 A140 L145	V117-L138 HydrophobicContact CG1-CD1 4.09Å; V117-L138 HydrophobicContact CG1-CD2 4.01Å; V117-L138 HydrophobicContact CG2-CD1 4Å; S135-L138 PolarHBondContact O-N 2.98Å; S135-L138 PolarHBondContact OG-N 3.08Å; L138-A140 PolarHBondContact O-N 3.11Å; L138-L145 HydrophobicContact CD1-CD1 3.67Å
139	G	88	Confident	91.1	Very high	59 Å²	59	51.3 Å²	51.3	61%	0.608	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	19.4	-176.8	0	0	0	0	0	113.8	S135	S135-G139 PolarHBondContact O-N 2.87Å
140	A	90.3	Very high	91	Very high	23 Å²	23	51.4 Å²	51.4	19%	0.19	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	157.7	-175.7	0	0	0	0	0	110.9	S135 L138	S135-A140 PolarHBondContact N-O 3.28Å; L138-A140 PolarHBondContact O-N 3.11Å
141	H	93.4	Very high	91.1	Very high	27 Å²	27	49.4 Å²	49.4	13%	0.125	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	140.8	170.8	-159.8	-87.5	0	0	0	109.7	P132 T133 F134 V143 D144	P132-H141 PolarHBondContact O-CE1 2.86Å; T133-H141 WeakPolarHBondContact CA-NE2 3.42Å; F134-H141 PolarHBondContact N-CD2 2.87Å; H141-V143 WeakPolarHBondContact ND1-CB 3.37Å; H141-V143 WeakPolarHBondContact ND1-CG2 3.12Å; H141-V143 PolarHBondContact ND1-N 2.96Å; H141-V143 PolarHBondContact O-N 3.13Å; H141-V143 VanDerWaalsContact O-N 3.13Å; H141-D144 WeakPolarHBondContact CB-OD2 3.44Å; H141-D144 PolarHBondContact N-OD2 2.85Å; H141-D144 WeakPolarHBondContact O-CB 3.43Å; H141-D144 PolarHBondContact O-N 2.92Å
142	E	93.3	Very high	91.3	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-56.1	-33.3	179.7	-77.2	178.5	127.2	0	0	111.9	I66 L121 K128 P132 T133 D144 L145 M146	I66-E142 HydrophobicContact CD1-CG 3.99Å; L121-E142 HydrophobicContact CD1-CG 4.49Å; K128-E142 WeakPolarHBondContact CE-OE2 3.03Å; K128-E142 IonicContact NZ-OE1 2.98Å; K128-E142 PolarHBondContact NZ-OE1 3.24Å; K128-E142 IonicContact NZ-OE2 3.96Å; K128-E142 PolarHBondContact NZ-OE2 3.46Å; P132-E142 WeakPolarHBondContact CA-OE2 3.42Å; P132-E142 HydrophobicContact CB-CB 3.94Å; T133-E142 PolarHBondContact N-OE2 3.41Å; T133-E142 WeakPolarHBondContact O-CG 3.38Å; T133-E142 PolarHBondContact O-N 3.02Å; E142-D144 VanDerWaalsContact C-N 3.27Å; E142-D144 PolarHBondContact O-N 3.37Å; E142-L145 PolarHBondContact O-N 2.85Å; E142-L145 VanDerWaalsContact O-N 3.16Å; E142-M146 PolarHBondContact O-N 3.32Å
143	V	93.4	Very high	91.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-33.8	174.9	179.3	0	0	0	0	112.5	P132 H141 L145 M146 L164 M167 L168 K171	P132-V143 HydrophobicContact CB-CG2 3.66Å; P132-V143 HydrophobicContact CG-CG2 4.21Å; H141-V143 WeakPolarHBondContact ND1-CB 3.37Å; H141-V143 WeakPolarHBondContact ND1-CG2 3.12Å; H141-V143 PolarHBondContact ND1-N 2.96Å; H141-V143 PolarHBondContact O-N 3.13Å; H141-V143 VanDerWaalsContact O-N 3.13Å; V143-L145 PolarHBondContact O-N 3.49Å; V143-M146 HydrophobicContact CB-SD 4.4Å; V143-M146 HydrophobicContact CG1-SD 4.47Å; V143-M146 HydrophobicContact CG2-SD 4.29Å; V143-M146 WeakPolarHBondContact O-CB 3.3Å; V143-M146 PolarHBondContact O-N 3.01Å; V143-L164 HydrophobicContact CG2-CD1 3.91Å; V143-M167 HydrophobicContact CG1-CB 4.06Å; V143-L168 HydrophobicContact CG1-CD2 4.06Å; V143-L168 HydrophobicContact CG1-CG 4.49Å; V143-L168 HydrophobicContact CG2-CD2 3.92Å; V143-L168 HydrophobicContact CG2-CG 4.3Å; V143-K171 HydrophobicContact CG1-CB 4.48Å; V143-K171 HydrophobicContact CG1-CG 3.76Å; V143-K171 WeakPolarHBondContact O-CE 3.42Å
144	D	91.5	Very high	91.6	Very high	90 Å²	90	45.4 Å²	45.4	48%	0.481	27%	0.271	S	S	.	.	H	α-helix	trans	-67.6	-27.6	179.7	-62	-39.3	0	0	0	112.1	H141 E142 K171	H141-D144 WeakPolarHBondContact CB-OD2 3.44Å; H141-D144 PolarHBondContact N-OD2 2.85Å; H141-D144 WeakPolarHBondContact O-CB 3.43Å; H141-D144 PolarHBondContact O-N 2.92Å; E142-D144 VanDerWaalsContact C-N 3.27Å; E142-D144 PolarHBondContact O-N 3.37Å; D144-K171 PolarHBondContact O-NZ 2.87Å
145	L	91.4	Very high	91.8	Very high	47 Å²	47	40.6 Å²	40.6	25%	0.246	25%	0.25	C	C	.	.	H	α-helix	trans	-88.1	-9.7	179.4	-58.4	176.6	0	0	0	112.8	L121 L138 E142 V143	L121-L145 HydrophobicContact CB-CB 4.14Å; L121-L145 HydrophobicContact CD1-CB 3.95Å; L121-L145 HydrophobicContact CD1-CD1 3.74Å; L121-L145 HydrophobicContact CD1-CG 4.5Å; L138-L145 HydrophobicContact CD1-CD1 3.67Å; E142-L145 PolarHBondContact O-N 2.85Å; E142-L145 VanDerWaalsContact O-N 3.16Å; V143-L145 PolarHBondContact O-N 3.49Å
146	M	93.8	Very high	92.1	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.025	25%	0.248	C	C	.	.	S	Bend	trans	-69.1	142.2	174.1	-66.8	172.6	59.5	0	0	111.2	L126 E142 V143 S150 L152 L168 K171 A173	L126-M146 HydrophobicContact CD2-CG 4.28Å; L126-M146 HydrophobicContact CD2-SD 4.46Å; E142-M146 PolarHBondContact O-N 3.32Å; V143-M146 HydrophobicContact CB-SD 4.4Å; V143-M146 HydrophobicContact CG1-SD 4.47Å; V143-M146 HydrophobicContact CG2-SD 4.29Å; V143-M146 WeakPolarHBondContact O-CB 3.3Å; V143-M146 PolarHBondContact O-N 3.01Å; M146-S150 WeakPolarHBondContact CE-OG 3.35Å; M146-L152 HydrophobicContact CE-CB 4.03Å; M146-L168 HydrophobicContact CE-CD2 4.1Å; M146-L168 HydrophobicContact SD-CD2 4.07Å; M146-K171 PolarHBondContact O-NZ 3.43Å; M146-K171 VanDerWaalsContact O-NZ 3.15Å; M146-A173 HydrophobicContact CE-CB 4.42Å
147	K	92.5	Very high	92.5	Very high	103 Å²	103	39.2 Å²	39.2	45%	0.448	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-62.7	139.6	170	-176.9	-179.8	174.7	-177.2	0	110	D124 S150	D124-K147 IonicContact OD1-NZ 3.76Å; D124-K147 PolarHBondContact OD1-NZ 3.09Å; K147-S150 VanDerWaalsContact O-CB 3.3Å; K147-S150 WeakPolarHBondContact O-CB 3.26Å; K147-S150 PolarHBondContact O-N 2.99Å; K147-S150 PolarHBondContact O-OG 2.65Å
148	E	92.2	Very high	92.9	Very high	109 Å²	109	34.9 Å²	34.9	51%	0.509	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	137.6	174.1	-167.2	176.2	173.9	0	0	109.9	S150 K172	E148-S150 PolarHBondContact O-N 3.47Å; E148-K172 HydrophobicContact CG-CB 4.49Å; E148-K172 WeakPolarHBondContact OE1-CD 3.43Å; E148-K172 WeakPolarHBondContact OE1-CE 3.4Å; E148-K172 IonicContact OE1-NZ 3.39Å; E148-K172 PolarHBondContact OE1-NZ 3.26Å
149	S	90.6	Very high	93.1	Very high	67 Å²	67	35 Å²	35	47%	0.469	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	25.3	-175.9	-57.4	0	0	0	0	115.5	K171 K172	S149-K171 PolarHBondContact N-O 3.46Å; S149-K171 VanDerWaalsContact N-O 3.12Å; S149-K172 WeakPolarHBondContact CA-O 3.36Å
150	S	94.1	Very high	93.1	Very high	1 Å²	1	37 Å²	37	1%	0.007	20%	0.197	C	C	.	.			trans	-73	160.1	168.2	54.2	0	0	0	0	112.5	D124 M146 K147 E148 A173 T174	D124-S150 WeakPolarHBondContact O-CA 3.45Å; M146-S150 WeakPolarHBondContact CE-OG 3.35Å; K147-S150 VanDerWaalsContact O-CB 3.3Å; K147-S150 WeakPolarHBondContact O-CB 3.26Å; K147-S150 PolarHBondContact O-N 2.99Å; K147-S150 PolarHBondContact O-OG 2.65Å; E148-S150 PolarHBondContact O-N 3.47Å; S150-A173 WeakPolarHBondContact O-CA 3.42Å; S150-T174 PolarHBondContact O-N 3.21Å
151	T	96.3	Very high	93.1	Very high	22 Å²	22	38.9 Å²	38.9	14%	0.135	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.8	172.9	-58.8	0	0	0	0	110.1	D124 L125 L126 T174 L176	D124-T151 PolarHBondContact O-N 3.37Å; L125-T151 CarbonylContact C-O 3.57Å; L125-T151 VanDerWaalsContact CA-O 3.31Å; L125-T151 WeakPolarHBondContact CA-O 3.26Å; L125-T151 HydrophobicContact CD1-CG2 4.15Å; L125-T151 HydrophobicContact CG-CG2 4.28Å; L126-T151 PolarHBondContact N-O 2.99Å; T151-T174 CarbonylContact C-O 3.6Å; T151-T174 VanDerWaalsContact CA-O 3.23Å; T151-T174 WeakPolarHBondContact CA-O 3.4Å; T151-L176 HydrophobicContact CG2-CD1 3.73Å
152	L	97.4	Very high	93.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.2	174.4	173.9	65	0	0	0	110.1	L126 P132 M146 I156 L168 T174 V175 L176	L126-L152 HydrophobicContact CB-CD1 4.23Å; L126-L152 HydrophobicContact CD2-CD1 4.1Å; L126-L152 HydrophobicContact CG-CD1 4.4Å; P132-L152 HydrophobicContact CG-CD1 4.28Å; P132-L152 HydrophobicContact CG-CD2 3.66Å; M146-L152 HydrophobicContact CE-CB 4.03Å; L152-I156 HydrophobicContact CD2-CD1 3.87Å; L152-L168 HydrophobicContact CD2-CD1 4.16Å; L152-L168 HydrophobicContact CD2-CD2 3.92Å; L152-T174 PolarHBondContact N-O 2.93Å; L152-V175 HydrophobicContact CB-CG1 4.5Å; L152-V175 HydrophobicContact CB-CG2 4.43Å; L152-V175 HydrophobicContact CD2-CG1 4.32Å; L152-V175 CarbonylContact O-C 3.56Å; L152-V175 WeakPolarHBondContact O-CA 3.19Å; L152-L176 PolarHBondContact O-N 2.95Å
153	L	97.4	Very high	93	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	116.2	169.7	-171.6	164.2	0	0	0	108.8	L126 V127 K128 L176 M178 I393 L396 L397	L126-L153 PolarHBondContact O-N 3.38Å; V127-L153 HydrophobicContact CG1-CB 4.33Å; K128-L153 PolarHBondContact N-O 3.46Å; L153-L176 WeakPolarHBondContact CA-O 3.37Å; L153-L176 HydrophobicContact CB-CB 4.38Å; L153-L176 HydrophobicContact CD1-CD2 4.49Å; L153-L176 HydrophobicContact CG-CB 4.19Å; L153-M178 HydrophobicContact CD1-SD 4.43Å; L153-M178 HydrophobicContact CD2-CG 3.48Å; L153-M178 VanDerWaalsContact CD2-CG 3.48Å; L153-M178 HydrophobicContact CD2-SD 3.6Å; L153-M178 VanDerWaalsContact CD2-SD 3.6Å; L153-M178 HydrophobicContact CG-CG 4.28Å; L153-M178 HydrophobicContact CG-SD 4.12Å; L153-I393 HydrophobicContact CD1-CG2 4.17Å; L153-I393 HydrophobicContact CD2-CD1 3.77Å; L153-I393 HydrophobicContact CD2-CG1 3.67Å; L153-I393 HydrophobicContact CD2-CG2 4.37Å; L153-L396 HydrophobicContact CD1-CD2 4.33Å; L153-L397 HydrophobicContact CD1-CD2 4.1Å; L153-L397 HydrophobicContact CD1-CG 4.36Å
154	S	97.1	Very high	93.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	179.6	178.8	64	0	0	0	0	111.7	K128 I156 L176 A177 M178	K128-S154 WeakPolarHBondContact O-CA 3.38Å; S154-I156 WeakPolarHBondContact OG-CD1 3.49Å; S154-L176 PolarHBondContact N-O 2.93Å; S154-A177 WeakPolarHBondContact O-CA 3.39Å; S154-M178 PolarHBondContact O-N 3.27Å
155	F	95.3	Very high	93.2	Very high	12 Å²	12	45.9 Å²	45.9	5%	0.053	24%	0.242	C	C	.	.			trans	-74.1	123.8	159.6	-72	-60.4	0	0	0	110.5	V129 A131 Y157 M178 D179 A192 L193 M196 Y389	V129-F155 WeakPolarHBondContact O-CD2 3.41Å; V129-F155 PolarHBondContact O-N 3.3Å; V129-F155 VanDerWaalsContact O-N 3.15Å; A131-F155 WeakPolarHBondContact CA-O 3.17Å; A131-F155 WeakPolarHBondContact CB-O 3.44Å; A131-F155 PolarHBondContact N-O 2.85Å; F155-Y157 HydrophobicContact CB-CD2 4.37Å; F155-Y157 HydrophobicContact CB-CE2 3.86Å; F155-Y157 HydrophobicContact CG-CE2 4.37Å; F155-M178 HydrophobicContact CD1-CB 3.89Å; F155-M178 HydrophobicContact CE1-CB 3.85Å; F155-M178 HydrophobicContact CZ-CB 4.47Å; F155-D179 HydrophobicContact CD1-CB 3.83Å; F155-D179 HydrophobicContact CE1-CB 4.33Å; F155-A192 HydrophobicContact CE1-CB 3.97Å; F155-A192 HydrophobicContact CE2-CB 4.48Å; F155-A192 HydrophobicContact CZ-CB 3.55Å; F155-L193 HydrophobicContact CD1-CD2 4.42Å; F155-L193 HydrophobicContact CE1-CD2 3.65Å; F155-L193 HydrophobicContact CE1-CG 4.16Å; F155-L193 HydrophobicContact CZ-CD2 4.16Å; F155-M196 HydrophobicContact CE2-CG 4.45Å; F155-M196 HydrophobicContact CZ-CG 4.42Å; F155-Y389 HydrophobicContact CD2-CE2 4.22Å; F155-Y389 HydrophobicContact CE2-CD2 4.22Å; F155-Y389 AromaticContact CE2-CE2 3.59Å; F155-Y389 HydrophobicContact CE2-CE2 3.59Å; F155-Y389 HydrophobicContact CZ-CD2 4.5Å; F155-Y389 AromaticContact CZ-CE2 3.91Å; F155-Y389 HydrophobicContact CZ-CE2 3.91Å
156	I	94.9	Very high	93.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.			trans	-113.1	-41.3	-174.2	-63	-67.4	0	0	0	112.1	L152 S154 P158 N161 M165 L168 V175 A177 D179	L152-I156 HydrophobicContact CD2-CD1 3.87Å; S154-I156 WeakPolarHBondContact OG-CD1 3.49Å; I156-P158 HydrophobicContact CG2-CB 4.18Å; I156-N161 PolarHBondContact O-ND2 3.02Å; I156-M165 HydrophobicContact CG2-SD 3.88Å; I156-L168 HydrophobicContact CD1-CD1 4.49Å; I156-V175 HydrophobicContact CD1-CG1 3.71Å; I156-V175 HydrophobicContact CG1-CG1 3.67Å; I156-A177 HydrophobicContact CB-CB 3.97Å; I156-A177 HydrophobicContact CG1-CB 4.02Å; I156-D179 PolarHBondContact N-OD1 3.32Å
157	Y	91.2	Very high	93.4	Very high	89 Å²	89	49.9 Å²	49.9	35%	0.349	26%	0.263	S	S	.	.			trans	50.6	62.4	-172.6	-59.8	-77.2	0	0	0	111.8	F155 A159 Q160 N161 D179	F155-Y157 HydrophobicContact CB-CD2 4.37Å; F155-Y157 HydrophobicContact CB-CE2 3.86Å; F155-Y157 HydrophobicContact CG-CE2 4.37Å; Y157-A159 PolarHBondContact O-N 3.1Å; Y157-A159 VanDerWaalsContact O-N 3.16Å; Y157-Q160 PolarHBondContact O-N 3.39Å; Y157-Q160 PolarHBondContact O-OE1 2.89Å; Y157-N161 PolarHBondContact O-N 3.06Å; Y157-N161 PolarHBondContact O-ND2 2.82Å; Y157-N161 VanDerWaalsContact O-ND2 3.08Å; Y157-D179 VanDerWaalsContact CA-OD2 3.28Å; Y157-D179 WeakPolarHBondContact CA-OD2 3.32Å; Y157-D179 HydrophobicContact CD1-CB 4.11Å; Y157-D179 HydrophobicContact CE1-CB 3.87Å; Y157-D179 PolarHBondContact N-OD1 3.11Å; Y157-D179 PolarHBondContact N-OD2 3.16Å
158	P	91.6	Very high	93.5	Very high	7 Å²	7	45 Å²	45	5%	0.045	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28	-167.2	25.9	-36.7	0	0	0	113.8	I156 Q160 M165 D179 Q180 V429 F437	I156-P158 HydrophobicContact CG2-CB 4.18Å; P158-Q160 VanDerWaalsContact C-N 3.3Å; P158-Q160 PolarHBondContact O-N 2.97Å; P158-M165 HydrophobicContact CB-CE 4.11Å; P158-M165 HydrophobicContact CB-CG 4.31Å; P158-M165 HydrophobicContact CB-SD 3.99Å; P158-D179 WeakPolarHBondContact CD-OD2 3.34Å; P158-Q180 HydrophobicContact CG-CG 4.12Å; P158-V429 HydrophobicContact CG-CG1 4.09Å; P158-F437 HydrophobicContact CB-CB 4.47Å; P158-F437 HydrophobicContact CB-CD1 4.1Å; P158-F437 HydrophobicContact CB-CD2 4.22Å; P158-F437 HydrophobicContact CB-CE1 4.44Å; P158-F437 HydrophobicContact CB-CG 3.99Å; P158-F437 HydrophobicContact CG-CD1 4.2Å; P158-F437 HydrophobicContact CG-CD2 3.54Å; P158-F437 HydrophobicContact CG-CE1 4.31Å; P158-F437 HydrophobicContact CG-CE2 3.68Å; P158-F437 HydrophobicContact CG-CG 3.83Å; P158-F437 HydrophobicContact CG-CZ 4.07Å
159	A	89.1	Confident	93.6	Very high	66 Å²	66	41.9 Å²	41.9	55%	0.545	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.9	176.3	0	0	0	0	0	113	Y157 F437	Y157-A159 PolarHBondContact O-N 3.1Å; Y157-A159 VanDerWaalsContact O-N 3.16Å; A159-F437 HydrophobicContact CB-CE1 4.05Å; A159-F437 HydrophobicContact CB-CZ 3.92Å
160	Q	87.9	Confident	93.8	Very high	100 Å²	100	45.7 Å²	45.7	47%	0.467	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-20.1	-177.6	-67.6	75.6	17.6	0	0	112.7	Y157 P158 P162	Y157-Q160 PolarHBondContact O-N 3.39Å; Y157-Q160 PolarHBondContact O-OE1 2.89Å; P158-Q160 VanDerWaalsContact C-N 3.3Å; P158-Q160 PolarHBondContact O-N 2.97Å; Q160-P162 VanDerWaalsContact O-CD 3.3Å; Q160-P162 WeakPolarHBondContact O-CD 3.26Å
161	N	90.8	Very high	93.8	Very high	63 Å²	63	48 Å²	48	34%	0.337	25%	0.25	S	C	.	.			trans	-122.1	62.1	-171.7	-61	-70.7	0	0	0	113	I156 Y157 E163 L164 M165	I156-N161 PolarHBondContact O-ND2 3.02Å; Y157-N161 PolarHBondContact O-N 3.06Å; Y157-N161 PolarHBondContact O-ND2 2.82Å; Y157-N161 VanDerWaalsContact O-ND2 3.08Å; N161-E163 VanDerWaalsContact C-N 3.32Å; N161-E163 PolarHBondContact O-N 3.17Å; N161-L164 HydrophobicContact CB-CB 4.01Å; N161-L164 HydrophobicContact CB-CD2 4.38Å; N161-L164 PolarHBondContact O-N 3.24Å; N161-M165 WeakPolarHBondContact O-CG 3.41Å; N161-M165 PolarHBondContact O-N 3.42Å
162	P	92.3	Very high	93.7	Very high	90 Å²	90	51.9 Å²	51.9	58%	0.584	27%	0.265	S	S	*	.	H	α-helix	trans	-64.4	-33.8	-178.5	26.6	-34.5	0	0	0	113.2	Q160 M165 D166	Q160-P162 VanDerWaalsContact O-CD 3.3Å; Q160-P162 WeakPolarHBondContact O-CD 3.26Å; P162-M165 PolarHBondContact O-N 2.84Å; P162-D166 PolarHBondContact O-N 3.36Å
163	E	93.3	Very high	93.6	Very high	160 Å²	160	51.9 Å²	51.9	75%	0.748	27%	0.265	S	S	*	.	H	α-helix	trans	-65.7	-40.2	178.2	-64.4	-179.2	-179.9	0	0	112	N161 M165 D166 M167	N161-E163 VanDerWaalsContact C-N 3.32Å; N161-E163 PolarHBondContact O-N 3.17Å; E163-M165 VanDerWaalsContact C-N 3.33Å; E163-M165 PolarHBondContact O-N 3.1Å; E163-D166 PolarHBondContact O-N 3.01Å; E163-M167 WeakPolarHBondContact O-CG 3.32Å; E163-M167 PolarHBondContact O-N 3.34Å; E163-M167 VanDerWaalsContact O-N 3.07Å
164	L	94.1	Very high	93.6	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.058	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-41.3	174.8	178	64.3	0	0	0	111.5	A131 P132 V143 N161 D166 M167 L168	A131-L164 HydrophobicContact CB-CD2 3.59Å; P132-L164 HydrophobicContact CB-CD1 4.42Å; V143-L164 HydrophobicContact CG2-CD1 3.91Å; N161-L164 HydrophobicContact CB-CB 4.01Å; N161-L164 HydrophobicContact CB-CD2 4.38Å; N161-L164 PolarHBondContact O-N 3.24Å; L164-D166 VanDerWaalsContact C-N 3.32Å; L164-D166 PolarHBondContact O-N 3.37Å; L164-M167 HydrophobicContact CB-CE 4.49Å; L164-M167 HydrophobicContact CD1-CE 4.22Å; L164-M167 PolarHBondContact O-N 3.43Å; L164-L168 HydrophobicContact CD1-CD1 4.09Å; L164-L168 HydrophobicContact CD1-CG 4.29Å; L164-L168 HydrophobicContact CD2-CD1 4.48Å; L164-L168 HydrophobicContact CG-CD1 3.85Å; L164-L168 HydrophobicContact CG-CG 4.48Å; L164-L168 WeakPolarHBondContact O-CG 3.44Å; L164-L168 PolarHBondContact O-N 3.32Å
165	M	94.7	Very high	93.6	Very high	11 Å²	11	52.3 Å²	52.3	5%	0.054	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-38.6	176.7	-66.3	-65.9	-74	0	0	111.5	I156 P158 N161 P162 E163 L168 S169 V429 M430	I156-M165 HydrophobicContact CG2-SD 3.88Å; P158-M165 HydrophobicContact CB-CE 4.11Å; P158-M165 HydrophobicContact CB-CG 4.31Å; P158-M165 HydrophobicContact CB-SD 3.99Å; N161-M165 WeakPolarHBondContact O-CG 3.41Å; N161-M165 PolarHBondContact O-N 3.42Å; P162-M165 PolarHBondContact O-N 2.84Å; E163-M165 VanDerWaalsContact C-N 3.33Å; E163-M165 PolarHBondContact O-N 3.1Å; M165-L168 PolarHBondContact O-N 3.03Å; M165-S169 WeakPolarHBondContact O-CB 3.4Å; M165-S169 PolarHBondContact O-N 3.5Å; M165-V429 HydrophobicContact CE-CB 4.21Å; M165-V429 HydrophobicContact CE-CG2 4.09Å; M165-V429 HydrophobicContact SD-CG2 4.45Å; M165-M430 HydrophobicContact CB-CE 4.45Å; M165-M430 HydrophobicContact CE-CE 3.96Å; M165-M430 WeakPolarHBondContact O-CE 3.26Å; M165-M430 HydrophobicContact SD-CE 4.37Å
166	D	94.3	Very high	93.6	Very high	81 Å²	81	51.9 Å²	51.9	43%	0.433	27%	0.266	S	S	.	.	H	α-helix	trans	-65.4	-42.2	174.8	-175.8	58.9	0	0	0	112.2	P162 E163 L164 S169 K170	P162-D166 PolarHBondContact O-N 3.36Å; E163-D166 PolarHBondContact O-N 3.01Å; L164-D166 VanDerWaalsContact C-N 3.32Å; L164-D166 PolarHBondContact O-N 3.37Å; D166-S169 WeakPolarHBondContact O-CB 3.27Å; D166-S169 PolarHBondContact O-N 2.86Å; D166-K170 WeakPolarHBondContact O-CG 3.38Å; D166-K170 PolarHBondContact O-N 2.72Å; D166-K170 VanDerWaalsContact OD2-CE 3.27Å; D166-K170 WeakPolarHBondContact OD2-CE 3.44Å; D166-K170 IonicContact OD2-NZ 3.65Å; D166-K170 PolarHBondContact OD2-NZ 2.91Å
167	M	94.1	Very high	93.7	Very high	54 Å²	54	52 Å²	52	27%	0.266	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-44.5	175.6	-69.7	-171.5	-74.8	0	0	112.5	V143 E163 L164 S169 K170 K171	V143-M167 HydrophobicContact CG1-CB 4.06Å; E163-M167 WeakPolarHBondContact O-CG 3.32Å; E163-M167 PolarHBondContact O-N 3.34Å; E163-M167 VanDerWaalsContact O-N 3.07Å; L164-M167 HydrophobicContact CB-CE 4.49Å; L164-M167 HydrophobicContact CD1-CE 4.22Å; L164-M167 PolarHBondContact O-N 3.43Å; M167-S169 VanDerWaalsContact C-N 3.33Å; M167-S169 PolarHBondContact O-N 2.93Å; M167-K170 PolarHBondContact O-N 3.4Å; M167-K171 PolarHBondContact O-N 3.34Å
168	L	95.3	Very high	93.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.6	-35.2	177.3	-70.8	166.5	0	0	0	111.9	V143 M146 L152 I156 L164 M165 K171 K172 A173 V175 M430	V143-L168 HydrophobicContact CG1-CD2 4.06Å; V143-L168 HydrophobicContact CG1-CG 4.49Å; V143-L168 HydrophobicContact CG2-CD2 3.92Å; V143-L168 HydrophobicContact CG2-CG 4.3Å; M146-L168 HydrophobicContact CE-CD2 4.1Å; M146-L168 HydrophobicContact SD-CD2 4.07Å; L152-L168 HydrophobicContact CD2-CD1 4.16Å; L152-L168 HydrophobicContact CD2-CD2 3.92Å; I156-L168 HydrophobicContact CD1-CD1 4.49Å; L164-L168 HydrophobicContact CD1-CD1 4.09Å; L164-L168 HydrophobicContact CD1-CG 4.29Å; L164-L168 HydrophobicContact CD2-CD1 4.48Å; L164-L168 HydrophobicContact CG-CD1 3.85Å; L164-L168 HydrophobicContact CG-CG 4.48Å; L164-L168 WeakPolarHBondContact O-CG 3.44Å; L164-L168 PolarHBondContact O-N 3.32Å; M165-L168 PolarHBondContact O-N 3.03Å; L168-K171 PolarHBondContact O-N 2.93Å; L168-K172 PolarHBondContact O-N 3.33Å; L168-A173 HydrophobicContact CD2-CB 4.36Å; L168-A173 PolarHBondContact O-N 2.83Å; L168-V175 HydrophobicContact CB-CG2 4.33Å; L168-V175 HydrophobicContact CD1-CG2 4.03Å; L168-V175 HydrophobicContact CD2-CG2 4.45Å; L168-M430 VanDerWaalsContact C-SD 3.6Å; L168-M430 HydrophobicContact CB-CE 3.93Å; L168-M430 HydrophobicContact CB-SD 3.89Å
169	S	95	Very high	93.9	Very high	44 Å²	44	48.1 Å²	48.1	31%	0.308	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-45.3	175.3	-177.4	0	0	0	0	111.4	M165 D166 M167 K171 K172 G433	M165-S169 WeakPolarHBondContact O-CB 3.4Å; M165-S169 PolarHBondContact O-N 3.5Å; D166-S169 WeakPolarHBondContact O-CB 3.27Å; D166-S169 PolarHBondContact O-N 2.86Å; M167-S169 VanDerWaalsContact C-N 3.33Å; M167-S169 PolarHBondContact O-N 2.93Å; S169-K171 PolarHBondContact O-N 3.47Å; S169-K172 WeakPolarHBondContact O-CA 3.46Å; S169-K172 PolarHBondContact O-N 3.36Å; S169-G433 WeakPolarHBondContact CB-O 3.37Å; S169-G433 PolarHBondContact OG-O 3.41Å
170	K	94.4	Very high	94.1	Very high	147 Å²	147	47.9 Å²	47.9	64%	0.639	24%	0.239	S	C	*	.	H	α-helix	trans	-59.8	-30.1	176.1	-73.6	165.3	177.4	160.1	0	113.1	D166 M167 K172	D166-K170 WeakPolarHBondContact O-CG 3.38Å; D166-K170 PolarHBondContact O-N 2.72Å; D166-K170 VanDerWaalsContact OD2-CE 3.27Å; D166-K170 WeakPolarHBondContact OD2-CE 3.44Å; D166-K170 IonicContact OD2-NZ 3.65Å; D166-K170 PolarHBondContact OD2-NZ 2.91Å; M167-K170 PolarHBondContact O-N 3.4Å; K170-K172 VanDerWaalsContact C-N 3.27Å; K170-K172 PolarHBondContact O-N 3.46Å
171	K	93.4	Very high	94.3	Very high	51 Å²	51	43.6 Å²	43.6	22%	0.222	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1.3	174.5	-74.8	-70	-172.9	155.2	0	114.3	V143 D144 M146 S149 M167 L168 S169 A173	V143-K171 HydrophobicContact CG1-CB 4.48Å; V143-K171 HydrophobicContact CG1-CG 3.76Å; V143-K171 WeakPolarHBondContact O-CE 3.42Å; D144-K171 PolarHBondContact O-NZ 2.87Å; M146-K171 PolarHBondContact O-NZ 3.43Å; M146-K171 VanDerWaalsContact O-NZ 3.15Å; S149-K171 PolarHBondContact N-O 3.46Å; S149-K171 VanDerWaalsContact N-O 3.12Å; M167-K171 PolarHBondContact O-N 3.34Å; L168-K171 PolarHBondContact O-N 2.93Å; S169-K171 PolarHBondContact O-N 3.47Å; K171-A173 PolarHBondContact O-N 3.02Å; K171-A173 VanDerWaalsContact O-N 3.15Å
172	K	95.2	Very high	94.2	Very high	102 Å²	102	41.7 Å²	41.7	44%	0.443	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	32.3	-174.6	-56.7	179.8	-170.3	147.7	0	112.6	E148 S149 L168 S169 K170 N432	E148-K172 HydrophobicContact CG-CB 4.49Å; E148-K172 WeakPolarHBondContact OE1-CD 3.43Å; E148-K172 WeakPolarHBondContact OE1-CE 3.4Å; E148-K172 IonicContact OE1-NZ 3.39Å; E148-K172 PolarHBondContact OE1-NZ 3.26Å; S149-K172 WeakPolarHBondContact CA-O 3.36Å; L168-K172 PolarHBondContact O-N 3.33Å; S169-K172 WeakPolarHBondContact O-CA 3.46Å; S169-K172 PolarHBondContact O-N 3.36Å; K170-K172 VanDerWaalsContact C-N 3.27Å; K170-K172 PolarHBondContact O-N 3.46Å; K172-N432 CarbonylContact O-C 3.59Å; K172-N432 WeakPolarHBondContact O-CA 3.39Å
173	A	94.5	Very high	93.9	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.			trans	-70.9	157	-176.5	0	0	0	0	0	111.4	M146 S150 L168 K171 V175 N432 G433	M146-A173 HydrophobicContact CE-CB 4.42Å; S150-A173 WeakPolarHBondContact O-CA 3.42Å; L168-A173 HydrophobicContact CD2-CB 4.36Å; L168-A173 PolarHBondContact O-N 2.83Å; K171-A173 PolarHBondContact O-N 3.02Å; K171-A173 VanDerWaalsContact O-N 3.15Å; A173-V175 HydrophobicContact CB-CG2 4.26Å; A173-N432 PolarHBondContact O-N 3.1Å; A173-G433 PolarHBondContact O-N 2.98Å
174	T	96.5	Very high	93.5	Very high	10 Å²	10	35.6 Å²	35.6	6%	0.061	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.8	164	-66.2	0	0	0	0	108.1	S150 T151 L152 L176 F409 M430 N432	S150-T174 PolarHBondContact O-N 3.21Å; T151-T174 CarbonylContact C-O 3.6Å; T151-T174 VanDerWaalsContact CA-O 3.23Å; T151-T174 WeakPolarHBondContact CA-O 3.4Å; L152-T174 PolarHBondContact N-O 2.93Å; T174-L176 HydrophobicContact CG2-CD1 4.24Å; T174-F409 HydrophobicContact CG2-CZ 4.29Å; T174-M430 CarbonylContact C-O 3.59Å; T174-M430 WeakPolarHBondContact CA-O 3.45Å; T174-N432 PolarHBondContact OG1-N 2.89Å; T174-N432 VanDerWaalsContact OG1-N 3.13Å
175	V	97.2	Very high	92.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.5	-168.7	-174	0	0	0	0	110.6	L152 I156 L168 A173 V429 M430	L152-V175 HydrophobicContact CB-CG1 4.5Å; L152-V175 HydrophobicContact CB-CG2 4.43Å; L152-V175 HydrophobicContact CD2-CG1 4.32Å; L152-V175 CarbonylContact O-C 3.56Å; L152-V175 WeakPolarHBondContact O-CA 3.19Å; I156-V175 HydrophobicContact CD1-CG1 3.71Å; I156-V175 HydrophobicContact CG1-CG1 3.67Å; L168-V175 HydrophobicContact CB-CG2 4.33Å; L168-V175 HydrophobicContact CD1-CG2 4.03Å; L168-V175 HydrophobicContact CD2-CG2 4.45Å; A173-V175 HydrophobicContact CB-CG2 4.26Å; V175-V429 HydrophobicContact CB-CG2 3.88Å; V175-V429 HydrophobicContact CG1-CG2 3.73Å; V175-V429 PolarHBondContact O-N 3.37Å; V175-M430 HydrophobicContact CB-CB 3.94Å; V175-M430 HydrophobicContact CG2-CB 3.92Å; V175-M430 HydrophobicContact CG2-SD 4.1Å; V175-M430 PolarHBondContact N-O 2.88Å; V175-M430 PolarHBondContact O-N 2.84Å
176	L	96.8	Very high	92.4	Very high	4 Å²	4	44 Å²	44	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115	171.9	-75.2	75.3	0	0	0	108.8	T151 L152 L153 S154 T174 I400 F409 S427 V428	T151-L176 HydrophobicContact CG2-CD1 3.73Å; L152-L176 PolarHBondContact O-N 2.95Å; L153-L176 WeakPolarHBondContact CA-O 3.37Å; L153-L176 HydrophobicContact CB-CB 4.38Å; L153-L176 HydrophobicContact CD1-CD2 4.49Å; L153-L176 HydrophobicContact CG-CB 4.19Å; S154-L176 PolarHBondContact N-O 2.93Å; T174-L176 HydrophobicContact CG2-CD1 4.24Å; L176-I400 HydrophobicContact CD2-CD1 3.67Å; L176-F409 HydrophobicContact CD1-CZ 4.05Å; L176-S427 CarbonylContact C-O 3.59Å; L176-S427 WeakPolarHBondContact CA-O 3.39Å; L176-V428 HydrophobicContact CD1-CG2 4.29Å; L176-V428 HydrophobicContact CG-CG2 4.07Å
177	A	96.3	Very high	92.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	113.5	-179.3	0	0	0	0	0	110.4	S154 I156 D179 Q180 S427 V429	S154-A177 WeakPolarHBondContact O-CA 3.39Å; I156-A177 HydrophobicContact CB-CB 3.97Å; I156-A177 HydrophobicContact CG1-CB 4.02Å; A177-D179 PolarHBondContact O-N 3.22Å; A177-Q180 HydrophobicContact CB-CB 4.01Å; A177-Q180 HydrophobicContact CB-CG 3.72Å; A177-Q180 PolarHBondContact O-N 2.72Å; A177-S427 PolarHBondContact N-O 2.87Å; A177-V429 HydrophobicContact CB-CB 4.49Å; A177-V429 HydrophobicContact CB-CG1 3.6Å; A177-V429 HydrophobicContact CB-CG2 4.02Å
178	M	95.6	Very high	91.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.1	178.8	-69.2	-60.7	-69.1	0	0	113	L153 S154 F155 A192 Y389 N392 I393 L396	L153-M178 HydrophobicContact CD1-SD 4.43Å; L153-M178 HydrophobicContact CD2-CG 3.48Å; L153-M178 VanDerWaalsContact CD2-CG 3.48Å; L153-M178 HydrophobicContact CD2-SD 3.6Å; L153-M178 VanDerWaalsContact CD2-SD 3.6Å; L153-M178 HydrophobicContact CG-CG 4.28Å; L153-M178 HydrophobicContact CG-SD 4.12Å; S154-M178 PolarHBondContact O-N 3.27Å; F155-M178 HydrophobicContact CD1-CB 3.89Å; F155-M178 HydrophobicContact CE1-CB 3.85Å; F155-M178 HydrophobicContact CZ-CB 4.47Å; M178-A192 HydrophobicContact CB-CB 4.18Å; M178-A192 HydrophobicContact CE-CB 3.72Å; M178-Y389 HydrophobicContact CB-CE2 4.35Å; M178-Y389 HydrophobicContact CE-CE2 4.45Å; M178-Y389 HydrophobicContact CG-CE2 4.21Å; M178-N392 HydrophobicContact CE-CB 3.97Å; M178-I393 HydrophobicContact CE-CG1 4.46Å; M178-L396 HydrophobicContact CE-CD2 4.39Å; M178-L396 HydrophobicContact SD-CD2 3.57Å; M178-L396 VanDerWaalsContact SD-CD2 3.57Å
179	D	91.8	Very high	91.5	Very high	14 Å²	14	45.9 Å²	45.9	8%	0.075	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17	173	52.4	-69.7	0	0	0	113.7	F155 I156 Y157 P158 A177 L193	F155-D179 HydrophobicContact CD1-CB 3.83Å; F155-D179 HydrophobicContact CE1-CB 4.33Å; I156-D179 PolarHBondContact N-OD1 3.32Å; Y157-D179 VanDerWaalsContact CA-OD2 3.28Å; Y157-D179 WeakPolarHBondContact CA-OD2 3.32Å; Y157-D179 HydrophobicContact CD1-CB 4.11Å; Y157-D179 HydrophobicContact CE1-CB 3.87Å; Y157-D179 PolarHBondContact N-OD1 3.11Å; Y157-D179 PolarHBondContact N-OD2 3.16Å; P158-D179 WeakPolarHBondContact CD-OD2 3.34Å; A177-D179 PolarHBondContact O-N 3.22Å; D179-L193 HydrophobicContact CB-CD1 4.45Å
180	Q	93.4	Very high	91.4	Very high	61 Å²	61	44.3 Å²	44.3	29%	0.285	22%	0.221	S	C	.	.	S	Bend	trans	-101.5	5.8	-178.6	-57.3	-57.9	-55.3	0	0	113.3	P158 A177 P182 G426 V429	P158-Q180 HydrophobicContact CG-CG 4.12Å; A177-Q180 HydrophobicContact CB-CB 4.01Å; A177-Q180 HydrophobicContact CB-CG 3.72Å; A177-Q180 PolarHBondContact O-N 2.72Å; Q180-P182 WeakPolarHBondContact O-CD 3.41Å; Q180-G426 WeakPolarHBondContact CB-O 3.39Å; Q180-G426 CarbonylContact O-C 3.59Å; Q180-V429 HydrophobicContact CB-CG1 4.25Å; Q180-V429 HydrophobicContact CG-CG1 3.8Å
181	V	92.3	Very high	91.3	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	19%	0.193	C	C	.	.			trans	-61.3	121.1	172.5	179.5	0	0	0	0	108.8	A187 Y190	V181-A187 HydrophobicContact CG1-CB 4.23Å; V181-Y190 HydrophobicContact CG1-CD2 4.01Å; V181-Y190 HydrophobicContact CG1-CE2 4.09Å
182	P	88.7	Confident	91.4	Very high	23 Å²	23	35.4 Å²	35.4	15%	0.149	18%	0.183	C	C	.	.			trans	-69.6	139.8	-177.2	26.8	-33.1	0	0	0	111.2	Q180 V184 A187 V423	Q180-P182 WeakPolarHBondContact O-CD 3.41Å; P182-V184 VanDerWaalsContact C-N 3.3Å; P182-V184 PolarHBondContact O-N 3.34Å; P182-A187 WeakPolarHBondContact O-CB 3.29Å; P182-V423 HydrophobicContact CG-CB 4.44Å; P182-V423 HydrophobicContact CG-CG2 4.26Å
183	R	85.3	Confident	91.2	Very high	117 Å²	117	32.7 Å²	32.7	44%	0.442	17%	0.173	S	C	.	.			trans	-78.6	75.7	178.5	-65.4	-176.8	-178.9	174.3	3.9	111.4	Y289	R183-Y289 PolarHBondContact NE-OH 2.82Å; R183-Y289 VanDerWaalsContact NH1-CE1 3.35Å; R183-Y289 PolarHBondContact NH1-OH 2.87Å; R183-Y289 VanDerWaalsContact NH1-OH 3.14Å; R183-Y289 PolarHBondContact NH2-OH 3.45Å
184	V	85.4	Confident	91.1	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.03	18%	0.183	C	C	.	.			trans	-118.2	156.8	174.9	-64.4	0	0	0	0	111.1	P182 I186 A187 Q188 Y417 V423	P182-V184 VanDerWaalsContact C-N 3.3Å; P182-V184 PolarHBondContact O-N 3.34Å; V184-I186 VanDerWaalsContact C-N 3.31Å; V184-I186 HydrophobicContact CG2-CG1 3.91Å; V184-I186 PolarHBondContact O-N 2.82Å; V184-A187 HydrophobicContact CG2-CB 3.7Å; V184-A187 PolarHBondContact O-N 3.19Å; V184-Q188 PolarHBondContact O-N 3.4Å; V184-Y417 HydrophobicContact CG1-CD2 4.5Å; V184-Y417 HydrophobicContact CG1-CE1 4.23Å; V184-Y417 HydrophobicContact CG1-CE2 3.86Å; V184-V423 HydrophobicContact CG2-CG2 3.99Å
185	T	81.8	Confident	90.9	Very high	118 Å²	118	34.6 Å²	34.6	72%	0.724	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-51.3	-45.2	-173.8	-51.6	0	0	0	0	113.3	A187	T185-A187 PolarHBondContact O-N 3.08Å
186	I	84	Confident	90.8	Very high	81 Å²	81	35.3 Å²	35.3	42%	0.415	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-69.3	-17.7	-179.4	62.6	161.8	0	0	0	113.8	V184 Y190 G418 M420 V423	V184-I186 VanDerWaalsContact C-N 3.31Å; V184-I186 HydrophobicContact CG2-CG1 3.91Å; V184-I186 PolarHBondContact O-N 2.82Å; I186-Y190 PolarHBondContact O-OH 3.46Å; I186-G418 WeakPolarHBondContact CD1-O 3.41Å; I186-M420 HydrophobicContact CD1-CE 4.38Å; I186-V423 HydrophobicContact CD1-CG2 4.03Å; I186-V423 HydrophobicContact CG1-CG2 4.27Å
187	A	89.2	Confident	90.7	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.017	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-101.3	-6.2	-174.3	0	0	0	0	0	114.4	V181 P182 V184 T185 G189 Y190 D191 V423	V181-A187 HydrophobicContact CG1-CB 4.23Å; P182-A187 WeakPolarHBondContact O-CB 3.29Å; V184-A187 HydrophobicContact CG2-CB 3.7Å; V184-A187 PolarHBondContact O-N 3.19Å; T185-A187 PolarHBondContact O-N 3.08Å; A187-G189 PolarHBondContact O-N 3.43Å; A187-G189 VanDerWaalsContact O-N 3.13Å; A187-Y190 VanDerWaalsContact CA-CE2 3.49Å; A187-Y190 VanDerWaalsContact CA-CZ 3.45Å; A187-Y190 HydrophobicContact CB-CD2 4.3Å; A187-Y190 HydrophobicContact CB-CE2 3.48Å; A187-Y190 VanDerWaalsContact CB-CE2 3.48Å; A187-Y190 WeakPolarHBondContact O-CD2 3.23Å; A187-Y190 PolarHBondContact O-N 2.93Å; A187-Y190 VanDerWaalsContact O-N 3.14Å; A187-D191 PolarHBondContact O-N 3.37Å; A187-V423 HydrophobicContact CB-CG1 4.47Å; A187-V423 HydrophobicContact CB-CG2 3.9Å
188	Q	87.4	Confident	90.6	Very high	138 Å²	138	40.2 Å²	40.2	65%	0.645	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-57.3	-32.5	-178.4	-68.4	-179.2	-13.1	0	0	112.8	V184 Y190 D191	V184-Q188 PolarHBondContact O-N 3.4Å; Q188-Y190 PolarHBondContact O-N 3.35Å; Q188-D191 PolarHBondContact O-N 3.24Å
189	G	88.2	Confident	90.7	Very high	34 Å²	34	40.5 Å²	40.5	35%	0.351	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-67.6	-12.1	-178.2	0	0	0	0	0	115.3	A187 N392 K395	A187-G189 PolarHBondContact O-N 3.43Å; A187-G189 VanDerWaalsContact O-N 3.13Å; G189-N392 PolarHBondContact O-OD1 3.24Å; G189-K395 WeakPolarHBondContact O-CD 3.47Å
190	Y	92	Very high	90.9	Very high	11 Å²	11	40.3 Å²	40.3	4%	0.043	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-135.1	22.1	179.4	43.7	-101	0	0	0	113.2	V181 I186 A187 Q188 A192 N392 K395 L396 A399 V423	V181-Y190 HydrophobicContact CG1-CD2 4.01Å; V181-Y190 HydrophobicContact CG1-CE2 4.09Å; I186-Y190 PolarHBondContact O-OH 3.46Å; A187-Y190 VanDerWaalsContact CA-CE2 3.49Å; A187-Y190 VanDerWaalsContact CA-CZ 3.45Å; A187-Y190 HydrophobicContact CB-CD2 4.3Å; A187-Y190 HydrophobicContact CB-CE2 3.48Å; A187-Y190 VanDerWaalsContact CB-CE2 3.48Å; A187-Y190 WeakPolarHBondContact O-CD2 3.23Å; A187-Y190 PolarHBondContact O-N 2.93Å; A187-Y190 VanDerWaalsContact O-N 3.14Å; Q188-Y190 PolarHBondContact O-N 3.35Å; Y190-A192 PolarHBondContact O-N 3.05Å; Y190-N392 WeakPolarHBondContact CA-OD1 3.34Å; Y190-N392 VanDerWaalsContact CB-O 3.26Å; Y190-N392 WeakPolarHBondContact CB-O 3.31Å; Y190-K395 HydrophobicContact CD1-CB 4.11Å; Y190-L396 HydrophobicContact CD2-CB 4.3Å; Y190-L396 HydrophobicContact CD2-CD1 3.75Å; Y190-L396 HydrophobicContact CE2-CD1 3.79Å; Y190-L396 HydrophobicContact CG-CB 4.14Å; Y190-L396 HydrophobicContact CG-CD1 4.35Å; Y190-A399 HydrophobicContact CE1-CB 3.86Å; Y190-V423 HydrophobicContact CE2-CG1 3.62Å
191	D	93.3	Very high	91	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.059	21%	0.208	C	C	.	.			trans	-75.8	104.6	171	-179	-10.2	0	0	0	110.7	A187 Q188 L193 S194 S195	A187-D191 PolarHBondContact O-N 3.37Å; Q188-D191 PolarHBondContact O-N 3.24Å; D191-L193 PolarHBondContact OD1-N 3.24Å; D191-S194 VanDerWaalsContact CG-OG 3.25Å; D191-S194 PolarHBondContact OD1-N 3.12Å; D191-S194 WeakPolarHBondContact OD2-CB 3.33Å; D191-S194 PolarHBondContact OD2-OG 2.99Å; D191-S195 PolarHBondContact O-N 3.04Å; D191-S195 PolarHBondContact O-OG 3.16Å
192	A	93.9	Very high	91.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-71.3	-33.3	179.5	0	0	0	0	0	113.5	F155 M178 Y190 S195 M196 Y389 N392	F155-A192 HydrophobicContact CE1-CB 3.97Å; F155-A192 HydrophobicContact CE2-CB 4.48Å; F155-A192 HydrophobicContact CZ-CB 3.55Å; M178-A192 HydrophobicContact CB-CB 4.18Å; M178-A192 HydrophobicContact CE-CB 3.72Å; Y190-A192 PolarHBondContact O-N 3.05Å; A192-S195 PolarHBondContact O-N 2.76Å; A192-M196 WeakPolarHBondContact O-CG 3.43Å; A192-M196 PolarHBondContact O-N 2.97Å; A192-Y389 HydrophobicContact CB-CD2 3.76Å; A192-Y389 HydrophobicContact CB-CE2 3.68Å; A192-N392 WeakPolarHBondContact CA-ND2 3.26Å
193	L	91.7	Very high	91.7	Very high	45 Å²	45	42.5 Å²	42.5	24%	0.236	23%	0.225	C	C	.	.	H	α-helix	trans	-67	-43	178.8	-67.1	177.3	0	0	0	110.5	F155 D179 D191 S195 M196 A197	F155-L193 HydrophobicContact CD1-CD2 4.42Å; F155-L193 HydrophobicContact CE1-CD2 3.65Å; F155-L193 HydrophobicContact CE1-CG 4.16Å; F155-L193 HydrophobicContact CZ-CD2 4.16Å; D179-L193 HydrophobicContact CB-CD1 4.45Å; D191-L193 PolarHBondContact OD1-N 3.24Å; L193-S195 VanDerWaalsContact C-N 3.33Å; L193-S195 PolarHBondContact O-N 2.95Å; L193-M196 PolarHBondContact O-N 2.94Å; L193-A197 VanDerWaalsContact O-CB 3.25Å; L193-A197 WeakPolarHBondContact O-CB 3.47Å; L193-A197 PolarHBondContact O-N 3.06Å
194	S	91.5	Very high	92.3	Very high	31 Å²	31	37 Å²	37	22%	0.217	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-41.7	174.8	-71.3	0	0	0	0	111.8	D191 A197 N198 V238	D191-S194 VanDerWaalsContact CG-OG 3.25Å; D191-S194 PolarHBondContact OD1-N 3.12Å; D191-S194 WeakPolarHBondContact OD2-CB 3.33Å; D191-S194 PolarHBondContact OD2-OG 2.99Å; S194-A197 PolarHBondContact O-N 3.3Å; S194-N198 WeakPolarHBondContact O-CB 3.29Å; S194-N198 PolarHBondContact O-N 2.72Å; S194-V238 WeakPolarHBondContact O-CG1 3.44Å
195	S	94.1	Very high	92.9	Very high	18 Å²	18	36.7 Å²	36.7	13%	0.126	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-45.9	175.9	-62.2	0	0	0	0	112.4	D191 A192 L193 I199 N392	D191-S195 PolarHBondContact O-N 3.04Å; D191-S195 PolarHBondContact O-OG 3.16Å; A192-S195 PolarHBondContact O-N 2.76Å; L193-S195 VanDerWaalsContact C-N 3.33Å; L193-S195 PolarHBondContact O-N 2.95Å; S195-I199 WeakPolarHBondContact O-CG1 3.39Å; S195-I199 PolarHBondContact O-N 3.05Å; S195-N392 WeakPolarHBondContact CB-ND2 3.43Å; S195-N392 PolarHBondContact OG-ND2 3.26Å
196	M	95.1	Very high	93.7	Very high	15 Å²	15	33.3 Å²	33.3	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-69.1	-38.4	178.9	-65.9	-53	106.8	0	0	111.9	R72 F155 A192 L193 I199 A200 P378	R72-M196 PolarHBondContact NH1-SD 3.38Å; F155-M196 HydrophobicContact CE2-CG 4.45Å; F155-M196 HydrophobicContact CZ-CG 4.42Å; A192-M196 WeakPolarHBondContact O-CG 3.43Å; A192-M196 PolarHBondContact O-N 2.97Å; L193-M196 PolarHBondContact O-N 2.94Å; M196-I199 HydrophobicContact CE-CD1 4.31Å; M196-I199 PolarHBondContact O-N 3.3Å; M196-A200 VanDerWaalsContact O-CB 3.27Å; M196-A200 WeakPolarHBondContact O-CB 3.35Å; M196-A200 PolarHBondContact O-N 3.38Å; M196-P378 HydrophobicContact CB-CG 4.14Å; M196-P378 HydrophobicContact SD-CB 3.78Å; M196-P378 HydrophobicContact SD-CG 4.26Å
197	A	93.6	Very high	94.3	Very high	29 Å²	29	30.5 Å²	30.5	24%	0.24	17%	0.167	C	C	.	.	H	α-helix	trans	-62.3	-44.2	176.1	0	0	0	0	0	111.8	L193 S194 A200 G201 V238 A239	L193-A197 VanDerWaalsContact O-CB 3.25Å; L193-A197 WeakPolarHBondContact O-CB 3.47Å; L193-A197 PolarHBondContact O-N 3.06Å; S194-A197 PolarHBondContact O-N 3.3Å; A197-A200 PolarHBondContact O-N 3.14Å; A197-G201 PolarHBondContact O-N 2.85Å; A197-V238 HydrophobicContact CB-CB 4.05Å; A197-V238 HydrophobicContact CB-CG1 4.19Å; A197-A239 HydrophobicContact CB-CB 4.07Å; A197-A239 VanDerWaalsContact O-CA 3.3Å; A197-A239 WeakPolarHBondContact O-CA 3.25Å; A197-A239 WeakPolarHBondContact O-CB 3.37Å
198	N	95.4	Very high	94.7	Very high	80 Å²	80	30.4 Å²	30.4	43%	0.428	17%	0.167	S	C	.	.	H	α-helix	trans	-58.2	-50.9	176.2	-175.3	-1.7	0	0	0	111.1	S194 A200 G201 Y202 V238 A242	S194-N198 WeakPolarHBondContact O-CB 3.29Å; S194-N198 PolarHBondContact O-N 2.72Å; N198-A200 VanDerWaalsContact C-N 3.33Å; N198-A200 PolarHBondContact O-N 2.74Å; N198-G201 PolarHBondContact O-N 3.5Å; N198-Y202 PolarHBondContact O-N 2.77Å; N198-V238 HydrophobicContact CB-CG1 3.92Å; N198-A242 WeakPolarHBondContact O-CB 3.32Å; N198-A242 VanDerWaalsContact OD1-CB 3.27Å; N198-A242 WeakPolarHBondContact OD1-CB 3.37Å
199	I	96.1	Very high	95.2	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.036	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-42.9	177.8	-67.1	173.1	0	0	0	111.5	S195 M196 G201 Y202 K203 L381 Q384 S385 L388	S195-I199 WeakPolarHBondContact O-CG1 3.39Å; S195-I199 PolarHBondContact O-N 3.05Å; M196-I199 HydrophobicContact CE-CD1 4.31Å; M196-I199 PolarHBondContact O-N 3.3Å; I199-G201 VanDerWaalsContact C-N 3.32Å; I199-G201 PolarHBondContact O-N 2.79Å; I199-Y202 PolarHBondContact O-N 2.88Å; I199-K203 VanDerWaalsContact O-CB 3.26Å; I199-K203 WeakPolarHBondContact O-CB 3.4Å; I199-K203 PolarHBondContact O-N 3.12Å; I199-L381 HydrophobicContact CG2-CB 4Å; I199-L381 HydrophobicContact CG2-CD2 3.94Å; I199-Q384 HydrophobicContact CD1-CB 4.45Å; I199-Q384 HydrophobicContact CD1-CG 4.12Å; I199-Q384 HydrophobicContact CG1-CG 4.41Å; I199-S385 VanDerWaalsContact CD1-OG 3.27Å; I199-S385 WeakPolarHBondContact CD1-OG 3.24Å; I199-L388 HydrophobicContact CD1-CD1 3.95Å; I199-L388 HydrophobicContact CG1-CD1 4.25Å
200	A	96	Very high	95.6	Very high	9 Å²	9	29.6 Å²	29.6	7%	0.074	16%	0.162	C	C	.	.	H	α-helix	trans	-64	-38.9	179.9	0	0	0	0	0	111.5	M196 A197 N198 K203 A204 M347 L377 P378	M196-A200 VanDerWaalsContact O-CB 3.27Å; M196-A200 WeakPolarHBondContact O-CB 3.35Å; M196-A200 PolarHBondContact O-N 3.38Å; A197-A200 PolarHBondContact O-N 3.14Å; N198-A200 VanDerWaalsContact C-N 3.33Å; N198-A200 PolarHBondContact O-N 2.74Å; A200-K203 PolarHBondContact O-N 3.42Å; A200-A204 VanDerWaalsContact O-CB 3.26Å; A200-A204 WeakPolarHBondContact O-CB 3.44Å; A200-A204 PolarHBondContact O-N 3.32Å; A200-M347 VanDerWaalsContact C-CE 3.48Å; A200-M347 HydrophobicContact CB-CE 3.37Å; A200-L377 HydrophobicContact CB-CB 4.02Å; A200-L377 HydrophobicContact CB-CD1 4.29Å; A200-P378 HydrophobicContact CB-CG 4.3Å
201	G	96.8	Very high	95.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-47	175.1	0	0	0	0	0	112.7	A197 N198 I199 K203 A204 V205 A239	A197-G201 PolarHBondContact O-N 2.85Å; N198-G201 PolarHBondContact O-N 3.5Å; I199-G201 VanDerWaalsContact C-N 3.32Å; I199-G201 PolarHBondContact O-N 2.79Å; G201-K203 PolarHBondContact O-N 3.28Å; G201-A204 PolarHBondContact O-N 2.91Å; G201-V205 PolarHBondContact O-N 2.76Å; G201-A239 WeakPolarHBondContact CA-O 3.18Å
202	Y	97.9	Very high	96.1	Very high	108 Å²	108	31.4 Å²	31.4	42%	0.424	17%	0.172	S	C	.	.	H	α-helix	trans	-58.2	-48.7	172.1	173	-93.4	0	0	0	111.5	N198 I199 A204 V205 V206 T246 L381	N198-Y202 PolarHBondContact O-N 2.77Å; I199-Y202 PolarHBondContact O-N 2.88Å; Y202-A204 VanDerWaalsContact C-N 3.33Å; Y202-A204 PolarHBondContact O-N 2.82Å; Y202-V205 PolarHBondContact O-N 3.32Å; Y202-V206 HydrophobicContact CD1-CG2 4.23Å; Y202-V206 HydrophobicContact CE1-CG2 3.72Å; Y202-V206 HydrophobicContact CE2-CG2 4.29Å; Y202-V206 PolarHBondContact O-N 3.24Å; Y202-V206 VanDerWaalsContact O-N 3.15Å; Y202-T246 HydrophobicContact CD2-CG2 3.63Å; Y202-T246 HydrophobicContact CE2-CG2 3.94Å; Y202-L381 HydrophobicContact CD1-CD2 4.04Å; Y202-L381 HydrophobicContact CE1-CD2 4.18Å
203	K	97.7	Very high	96.1	Very high	34 Å²	34	35.3 Å²	35.3	15%	0.148	21%	0.212	C	C	.	.	H	α-helix	trans	-66.9	-34.9	-176.3	-171.8	59.8	176.6	-173.2	0	112.3	I199 A200 G201 V205 V206 L207 R380	I199-K203 VanDerWaalsContact O-CB 3.26Å; I199-K203 WeakPolarHBondContact O-CB 3.4Å; I199-K203 PolarHBondContact O-N 3.12Å; A200-K203 PolarHBondContact O-N 3.42Å; G201-K203 PolarHBondContact O-N 3.28Å; K203-V205 VanDerWaalsContact C-N 3.34Å; K203-V205 PolarHBondContact O-N 3.38Å; K203-V206 PolarHBondContact O-N 2.86Å; K203-L207 HydrophobicContact CD-CG 4.34Å; K203-L207 HydrophobicContact CG-CD1 4.08Å; K203-L207 HydrophobicContact CG-CG 4.32Å; K203-L207 WeakPolarHBondContact O-CB 3.47Å; K203-L207 WeakPolarHBondContact O-CG 3.31Å; K203-L207 PolarHBondContact O-N 3.13Å; K203-R380 WeakPolarHBondContact CE-O 3.27Å; K203-R380 HydrophobicContact CG-CB 4.42Å; K203-R380 PolarHBondContact NZ-O 2.92Å
204	A	97.7	Very high	96.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.5	-46.1	174	0	0	0	0	0	111.2	A200 G201 Y202 L207 A208 I316 V345 M347	A200-A204 VanDerWaalsContact O-CB 3.26Å; A200-A204 WeakPolarHBondContact O-CB 3.44Å; A200-A204 PolarHBondContact O-N 3.32Å; G201-A204 PolarHBondContact O-N 2.91Å; Y202-A204 VanDerWaalsContact C-N 3.33Å; Y202-A204 PolarHBondContact O-N 2.82Å; A204-L207 PolarHBondContact O-N 3.35Å; A204-A208 VanDerWaalsContact O-CB 3.32Å; A204-A208 WeakPolarHBondContact O-CB 3.37Å; A204-A208 PolarHBondContact O-N 3.25Å; A204-I316 HydrophobicContact CB-CD1 4.47Å; A204-I316 HydrophobicContact CB-CG2 4.24Å; A204-V345 HydrophobicContact CB-CG1 3.77Å; A204-M347 HydrophobicContact CB-CG 4.28Å; A204-M347 HydrophobicContact CB-SD 3.81Å
205	V	98	Very high	96.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.3	-44.4	177.7	177.8	0	0	0	0	111.8	G201 Y202 K203 L207 A208 A209 F216 A243 T246 A247 M250 I316	G201-V205 PolarHBondContact O-N 2.76Å; Y202-V205 PolarHBondContact O-N 3.32Å; K203-V205 VanDerWaalsContact C-N 3.34Å; K203-V205 PolarHBondContact O-N 3.38Å; V205-L207 VanDerWaalsContact C-N 3.33Å; V205-L207 PolarHBondContact O-N 2.9Å; V205-A208 PolarHBondContact O-N 3.41Å; V205-A209 WeakPolarHBondContact O-CB 3.26Å; V205-A209 PolarHBondContact O-N 3.47Å; V205-F216 HydrophobicContact CG1-CE1 3.98Å; V205-A243 HydrophobicContact CG2-CB 3.84Å; V205-A243 WeakPolarHBondContact CG2-O 3.47Å; V205-T246 HydrophobicContact CB-CG2 3.89Å; V205-T246 HydrophobicContact CG1-CG2 3.8Å; V205-T246 HydrophobicContact CG2-CG2 4.4Å; V205-A247 HydrophobicContact CG1-CB 4.08Å; V205-A247 HydrophobicContact CG2-CB 4.22Å; V205-M250 HydrophobicContact CG1-SD 3.88Å; V205-I316 HydrophobicContact CG2-CD1 3.72Å
206	V	97.7	Very high	96.7	Very high	47 Å²	47	43.2 Å²	43.2	29%	0.285	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-42.2	177.9	173.8	0	0	0	0	111.4	Y202 K203 A209 N210	Y202-V206 HydrophobicContact CD1-CG2 4.23Å; Y202-V206 HydrophobicContact CE1-CG2 3.72Å; Y202-V206 HydrophobicContact CE2-CG2 4.29Å; Y202-V206 PolarHBondContact O-N 3.24Å; Y202-V206 VanDerWaalsContact O-N 3.15Å; K203-V206 PolarHBondContact O-N 2.86Å; V206-A209 PolarHBondContact O-N 2.96Å; V206-N210 WeakPolarHBondContact O-CB 3.35Å; V206-N210 PolarHBondContact O-N 3.41Å
207	L	97.4	Very high	96.7	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.115	25%	0.25	C	S	.	.	H	α-helix	trans	-68.8	-38	176.5	-72.9	174.8	0	0	0	111.9	K203 A204 V205 N210 N211 I372 Y374 L377	K203-L207 HydrophobicContact CD-CG 4.34Å; K203-L207 HydrophobicContact CG-CD1 4.08Å; K203-L207 HydrophobicContact CG-CG 4.32Å; K203-L207 WeakPolarHBondContact O-CB 3.47Å; K203-L207 WeakPolarHBondContact O-CG 3.31Å; K203-L207 PolarHBondContact O-N 3.13Å; A204-L207 PolarHBondContact O-N 3.35Å; V205-L207 VanDerWaalsContact C-N 3.33Å; V205-L207 PolarHBondContact O-N 2.9Å; L207-N210 PolarHBondContact O-N 3.14Å; L207-N211 PolarHBondContact O-N 3.41Å; L207-N211 VanDerWaalsContact O-N 3.11Å; L207-N211 PolarHBondContact O-ND2 2.91Å; L207-I372 HydrophobicContact CB-CD1 3.94Å; L207-I372 HydrophobicContact CD1-CG2 4.32Å; L207-Y374 HydrophobicContact CD1-CD2 3.98Å; L207-Y374 HydrophobicContact CD1-CE2 4.29Å; L207-L377 HydrophobicContact CD1-CD2 3.58Å
208	A	97.6	Very high	96.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.9	-47.3	174.4	0	0	0	0	0	110.7	A204 V205 N210 N211 F212 I314 V343 V345	A204-A208 VanDerWaalsContact O-CB 3.32Å; A204-A208 WeakPolarHBondContact O-CB 3.37Å; A204-A208 PolarHBondContact O-N 3.25Å; V205-A208 PolarHBondContact O-N 3.41Å; A208-N210 PolarHBondContact O-N 2.99Å; A208-N211 CarbonylContact O-C 3.5Å; A208-N211 PolarHBondContact O-N 3.43Å; A208-F212 WeakPolarHBondContact O-CB 3.43Å; A208-F212 PolarHBondContact O-N 2.71Å; A208-I314 HydrophobicContact CB-CD1 4.13Å; A208-I314 HydrophobicContact CB-CG2 3.88Å; A208-V343 HydrophobicContact CB-CG1 4.29Å; A208-V345 HydrophobicContact CB-CG2 3.95Å
209	A	96.7	Very high	96.6	Very high	27 Å²	27	46.1 Å²	46.1	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-60.8	-41.2	176.7	0	0	0	0	0	112.9	V205 V206 N211 F212 F216 M250	V205-A209 WeakPolarHBondContact O-CB 3.26Å; V205-A209 PolarHBondContact O-N 3.47Å; V206-A209 PolarHBondContact O-N 2.96Å; A209-N211 VanDerWaalsContact C-N 3.28Å; A209-N211 PolarHBondContact O-N 3Å; A209-F212 PolarHBondContact O-N 3.22Å; A209-F216 HydrophobicContact CB-CD2 4.18Å; A209-F216 HydrophobicContact CB-CE2 3.66Å; A209-F216 HydrophobicContact CB-CZ 3.87Å; A209-M250 HydrophobicContact CB-CE 3.87Å
210	N	97.4	Very high	96.5	Very high	127 Å²	127	52.5 Å²	52.5	68%	0.679	29%	0.287	S	S	*	.	H	α-helix	trans	-66.7	-29.6	178.3	-174	82.9	0	0	0	113.3	V206 L207 A208	V206-N210 WeakPolarHBondContact O-CB 3.35Å; V206-N210 PolarHBondContact O-N 3.41Å; L207-N210 PolarHBondContact O-N 3.14Å; A208-N210 PolarHBondContact O-N 2.99Å
211	N	97.4	Very high	96.4	Very high	48 Å²	48	55.2 Å²	55.2	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-98.3	-4	-179.7	-69.1	-79.7	0	0	0	113.1	L207 A208 A209 V343 T370 I372	L207-N211 PolarHBondContact O-N 3.41Å; L207-N211 VanDerWaalsContact O-N 3.11Å; L207-N211 PolarHBondContact O-ND2 2.91Å; A208-N211 CarbonylContact O-C 3.5Å; A208-N211 PolarHBondContact O-N 3.43Å; A209-N211 VanDerWaalsContact C-N 3.28Å; A209-N211 PolarHBondContact O-N 3Å; N211-V343 HydrophobicContact CB-CG2 4.24Å; N211-T370 HydrophobicContact CB-CG2 4.25Å; N211-I372 HydrophobicContact CB-CD1 4.29Å
212	F	97.7	Very high	96.1	Very high	12 Å²	12	60.9 Å²	60.9	5%	0.053	35%	0.349	C	S	.	.			trans	-97.9	120.8	178.4	-173.9	-121.1	0	0	0	110.3	A208 A209 R214 F216 A229 D313 I314 G341 V343	A208-F212 WeakPolarHBondContact O-CB 3.43Å; A208-F212 PolarHBondContact O-N 2.71Å; A209-F212 PolarHBondContact O-N 3.22Å; F212-R214 HydrophobicContact CD1-CB 4.19Å; F212-R214 VanDerWaalsContact CD1-O 3.27Å; F212-R214 WeakPolarHBondContact CD1-O 3.49Å; F212-R214 HydrophobicContact CE1-CB 3.63Å; F212-R214 HydrophobicContact CZ-CB 3.97Å; F212-R214 PolarHBondContact O-N 3.32Å; F212-F216 HydrophobicContact CB-CE2 4.49Å; F212-F216 HydrophobicContact CD1-CD2 4.27Å; F212-F216 HydrophobicContact CD1-CE2 4.05Å; F212-A229 HydrophobicContact CE1-CB 3.91Å; F212-D313 HydrophobicContact CE1-CB 4.34Å; F212-D313 HydrophobicContact CE2-CB 3.72Å; F212-D313 HydrophobicContact CZ-CB 3.45Å; F212-D313 VanDerWaalsContact CZ-CB 3.45Å; F212-I314 HydrophobicContact CB-CD1 4.24Å; F212-I314 HydrophobicContact CD1-CD1 4.17Å; F212-I314 HydrophobicContact CD2-CG1 4.43Å; F212-I314 HydrophobicContact CG-CD1 4.1Å; F212-I314 HydrophobicContact CG-CG1 4.43Å; F212-G341 WeakPolarHBondContact CD2-O 3.46Å; F212-V343 HydrophobicContact CB-CG2 3.9Å; F212-V343 HydrophobicContact CD2-CG2 4.18Å
213	G	95	Very high	95.7	Very high	82 Å²	82	60.6 Å²	60.6	85%	0.845	37%	0.369	S	S	*	.	S	Bend	trans	-74	10	-172.6	0	0	0	0	0	116.4
214	R	95.8	Very high	95.5	Very high	118 Å²	118	60.6 Å²	60.6	45%	0.445	38%	0.379	S	S	.	.	S	Bend	trans	-134.3	162.7	-176.4	-66.6	-176.5	-74.5	158.3	0.1	111.4	F212 D313	F212-R214 HydrophobicContact CD1-CB 4.19Å; F212-R214 VanDerWaalsContact CD1-O 3.27Å; F212-R214 WeakPolarHBondContact CD1-O 3.49Å; F212-R214 HydrophobicContact CE1-CB 3.63Å; F212-R214 HydrophobicContact CZ-CB 3.97Å; F212-R214 PolarHBondContact O-N 3.32Å; R214-D313 IonicContact CZ-OD1 3.7Å; R214-D313 IonicContact NH1-OD1 3.85Å; R214-D313 IonicContact NH2-OD1 2.77Å; R214-D313 PolarHBondContact NH2-OD1 2.91Å
215	F	96.6	Very high	95.3	Very high	131 Å²	131	68.3 Å²	68.3	58%	0.575	41%	0.413	S	S	*	.			trans	-67.4	143.6	177.6	-62.5	-48.1	0	0	0	112.6	V226	F215-V226 HydrophobicContact CD2-CG1 4.34Å
216	F	97.1	Very high	95.2	Very high	12 Å²	12	71 Å²	71	5%	0.053	43%	0.429	C	S	.	.	S	Bend	trans	-73.1	-46.7	167.4	-90.3	-131.9	0	0	0	111	V205 A209 F212 P228 A229 V231 M250 A252 I314	V205-F216 HydrophobicContact CG1-CE1 3.98Å; A209-F216 HydrophobicContact CB-CD2 4.18Å; A209-F216 HydrophobicContact CB-CE2 3.66Å; A209-F216 HydrophobicContact CB-CZ 3.87Å; F212-F216 HydrophobicContact CB-CE2 4.49Å; F212-F216 HydrophobicContact CD1-CD2 4.27Å; F212-F216 HydrophobicContact CD1-CE2 4.05Å; F216-P228 VanDerWaalsContact O-CA 3.29Å; F216-P228 WeakPolarHBondContact O-CA 3.33Å; F216-P228 WeakPolarHBondContact O-CB 3.49Å; F216-A229 HydrophobicContact CD2-CB 4.27Å; F216-A229 HydrophobicContact CG-CB 4.35Å; F216-A229 PolarHBondContact O-N 3.04Å; F216-V231 HydrophobicContact CE1-CG2 4.19Å; F216-M250 HydrophobicContact CB-CB 4.32Å; F216-M250 HydrophobicContact CD1-CB 3.99Å; F216-M250 HydrophobicContact CD1-CE 4.48Å; F216-A252 HydrophobicContact CB-CB 4.47Å; F216-A252 HydrophobicContact CD1-CB 3.8Å; F216-A252 HydrophobicContact CE1-CB 4.46Å; F216-A252 HydrophobicContact CG-CB 4.42Å; F216-I314 HydrophobicContact CD2-CD1 4.49Å; F216-I314 HydrophobicContact CE1-CD1 4.22Å; F216-I314 HydrophobicContact CE2-CD1 3.36Å; F216-I314 HydrophobicContact CZ-CD1 3.2Å
217	T	95.8	Very high	95.1	Very high	62 Å²	62	72.5 Å²	72.5	38%	0.38	44%	0.44	S	S	.	.	S	Bend	trans	-77.3	127.6	-179.5	-38.3	0	0	0	0	110.9	M250	T217-M250 PolarHBondContact OG1-O 3.24Å
218	G	92.9	Very high	95.1	Very high	30 Å²	30	73.2 Å²	73.2	31%	0.309	45%	0.446	S	S	.	.			trans	-74	138.7	170	0	0	0	0	0	111.2	V226	G218-V226 CarbonylContact C-O 3.58Å; G218-V226 VanDerWaalsContact CA-O 3.23Å; G218-V226 WeakPolarHBondContact CA-O 3.49Å
219	Q	93.5	Very high	95.1	Very high	92 Å²	92	73.3 Å²	73.3	43%	0.43	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.2	-178.5	-59.9	179.4	13.8	0	0	110.4	T221 V226	Q219-T221 HydrophobicContact CB-CG2 4.34Å; Q219-V226 PolarHBondContact N-O 3.34Å; Q219-V226 PolarHBondContact O-N 2.85Å
220	I	93.7	Very high	95.2	Very high	141 Å²	141	74.9 Å²	74.9	72%	0.723	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.4	168.8	-61.3	175.6	0	0	0	106.5	K225	I220-K225 HydrophobicContact CG1-CB 4.35Å; I220-K225 HydrophobicContact CG1-CD 4.39Å; I220-K225 HydrophobicContact CG1-CG 4.03Å
221	T	93.7	Very high	95.2	Very high	66 Å²	66	69 Å²	69	41%	0.405	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	171.1	178.9	73	0	0	0	0	109.7	Q219 A223 G224	Q219-T221 HydrophobicContact CB-CG2 4.34Å; T221-A223 PolarHBondContact O-N 3.4Å; T221-A223 VanDerWaalsContact O-N 3.16Å; T221-A223 PolarHBondContact OG1-N 3.41Å; T221-G224 PolarHBondContact N-O 2.91Å; T221-G224 PolarHBondContact O-N 2.96Å; T221-G224 PolarHBondContact OG1-O 3.29Å
222	A	91.1	Very high	95.3	Very high	119 Å²	119	66.7 Å²	66.7	98%	0.983	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.9	171.7	0	0	0	0	0	112.9	G224	A222-G224 VanDerWaalsContact C-N 3.29Å; A222-G224 PolarHBondContact O-N 2.87Å
223	A	90.3	Very high	95.3	Very high	102 Å²	102	66.1 Å²	66.1	84%	0.843	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	2.6	177.9	0	0	0	0	0	113.8	T221	T221-A223 PolarHBondContact O-N 3.4Å; T221-A223 VanDerWaalsContact O-N 3.16Å; T221-A223 PolarHBondContact OG1-N 3.41Å
224	G	92.4	Very high	95.3	Very high	35 Å²	35	62.3 Å²	62.3	36%	0.361	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119.6	179.1	177.9	0	0	0	0	0	114	T221 A222	T221-G224 PolarHBondContact N-O 2.91Å; T221-G224 PolarHBondContact O-N 2.96Å; T221-G224 PolarHBondContact OG1-O 3.29Å; A222-G224 VanDerWaalsContact C-N 3.29Å; A222-G224 PolarHBondContact O-N 2.87Å
225	K	93.8	Very high	95.2	Very high	162 Å²	162	57.2 Å²	57.2	70%	0.704	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.2	179.4	179.3	175.5	-178.5	-179.3	0	110.1	I220	I220-K225 HydrophobicContact CG1-CB 4.35Å; I220-K225 HydrophobicContact CG1-CD 4.39Å; I220-K225 HydrophobicContact CG1-CG 4.03Å
226	V	95.3	Very high	94.9	Very high	55 Å²	55	51 Å²	51	33%	0.333	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.9	169.5	-176.8	0	0	0	0	108.1	F215 G218 Q219	F215-V226 HydrophobicContact CD2-CG1 4.34Å; G218-V226 CarbonylContact C-O 3.58Å; G218-V226 VanDerWaalsContact CA-O 3.23Å; G218-V226 WeakPolarHBondContact CA-O 3.49Å; Q219-V226 PolarHBondContact N-O 3.34Å; Q219-V226 PolarHBondContact O-N 2.85Å
227	P	95.8	Very high	94.5	Very high	79 Å²	79	51.9 Å²	51.9	51%	0.513	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-70.1	150.3	176.7	30.2	-34.1	0	0	0	111
228	P	97.1	Very high	94.3	Very high	38 Å²	38	51.9 Å²	51.9	25%	0.247	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-66	152.5	172.2	29.1	-34.2	0	0	0	111.1	F216 I253	F216-P228 VanDerWaalsContact O-CA 3.29Å; F216-P228 WeakPolarHBondContact O-CA 3.33Å; F216-P228 WeakPolarHBondContact O-CB 3.49Å; P228-I253 HydrophobicContact CB-CG1 4.35Å; P228-I253 HydrophobicContact CG-CD1 3.65Å; P228-I253 HydrophobicContact CG-CG1 3.87Å
229	A	97.9	Very high	94.3	Very high	2 Å²	2	51 Å²	51	2%	0.017	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-65.5	146.4	171.5	0	0	0	0	0	110.8	F212 F216 A252 I253	F212-A229 HydrophobicContact CE1-CB 3.91Å; F216-A229 HydrophobicContact CD2-CB 4.27Å; F216-A229 HydrophobicContact CG-CB 4.35Å; F216-A229 PolarHBondContact O-N 3.04Å; A229-A252 WeakPolarHBondContact O-CB 3.21Å; A229-I253 PolarHBondContact O-N 3.39Å
230	K	98.4	Very high	94.4	Very high	60 Å²	60	46.6 Å²	46.6	26%	0.261	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.8	173.1	-65.8	179.5	-179.1	-178.3	0	110.1	I253 E311 V312 D313 I314	K230-I253 WeakPolarHBondContact CA-O 3.41Å; K230-E311 IonicContact NZ-OE2 2.89Å; K230-V312 HydrophobicContact CB-CB 4.31Å; K230-V312 HydrophobicContact CB-CG1 4.25Å; K230-D313 PolarHBondContact N-OD2 3.18Å; K230-D313 PolarHBondContact O-N 3.07Å; K230-I314 PolarHBondContact O-N 3.43Å; K230-I314 VanDerWaalsContact O-N 3.13Å
231	V	98.4	Very high	94.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.1	-178	-173.5	0	0	0	0	109.6	F216 I233 A247 A252 I253 V254 R255 I314 I316	F216-V231 HydrophobicContact CE1-CG2 4.19Å; V231-I233 HydrophobicContact CG1-CG1 4.19Å; V231-A247 HydrophobicContact CG1-CB 4.49Å; V231-A247 HydrophobicContact CG2-CB 4.33Å; V231-A252 HydrophobicContact CG2-CB 3.87Å; V231-I253 PolarHBondContact N-O 3.15Å; V231-V254 WeakPolarHBondContact O-CA 3.35Å; V231-R255 PolarHBondContact O-N 3.29Å; V231-I314 CarbonylContact C-O 3.47Å; V231-I314 WeakPolarHBondContact CA-O 3.18Å; V231-I314 HydrophobicContact CG1-CB 4.27Å; V231-I314 HydrophobicContact CG1-CG2 4.17Å; V231-I314 HydrophobicContact CG2-CB 4.19Å; V231-I314 HydrophobicContact CG2-CD1 4.36Å; V231-I316 HydrophobicContact CG1-CD1 4.22Å; V231-I316 HydrophobicContact CG1-CG1 4.42Å
232	L	98.3	Very high	94.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.7	170.3	179.4	65.4	0	0	0	109.8	I234 R255 L275 Q308 V312 I314 V315 I316	L232-I234 HydrophobicContact CD2-CD1 4.07Å; L232-I234 HydrophobicContact CD2-CG1 4.16Å; L232-I234 HydrophobicContact CG-CD1 4.49Å; L232-I234 HydrophobicContact CG-CG1 4.07Å; L232-R255 CarbonylContact C-O 3.05Å; L232-R255 WeakPolarHBondContact CA-O 3.47Å; L232-R255 HydrophobicContact CD1-CB 4.15Å; L232-L275 HydrophobicContact CD1-CD1 3.56Å; L232-Q308 HydrophobicContact CD2-CB 3.88Å; L232-V312 HydrophobicContact CB-CB 4.4Å; L232-V312 HydrophobicContact CB-CG1 4.16Å; L232-V312 HydrophobicContact CB-CG2 4.07Å; L232-I314 PolarHBondContact N-O 3.5Å; L232-V315 HydrophobicContact CB-CG2 4.32Å; L232-V315 HydrophobicContact CD2-CG1 4.46Å; L232-V315 HydrophobicContact CD2-CG2 4.37Å; L232-V315 CarbonylContact O-C 3.58Å; L232-V315 WeakPolarHBondContact O-CA 3.48Å; L232-I316 PolarHBondContact O-N 3.33Å
233	I	98	Very high	94.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.3	175.6	-59.5	176.6	0	0	0	109.1	V231 A243 A244 V254 R255 G256 F257 F267 I316	V231-I233 HydrophobicContact CG1-CG1 4.19Å; I233-A243 HydrophobicContact CD1-CB 3.85Å; I233-A244 HydrophobicContact CD1-CB 3.67Å; I233-V254 HydrophobicContact CD1-CG1 3.69Å; I233-V254 HydrophobicContact CG1-CG1 4.26Å; I233-R255 PolarHBondContact N-O 3.3Å; I233-G256 WeakPolarHBondContact O-CA 3.31Å; I233-F257 PolarHBondContact O-N 3.47Å; I233-F267 HydrophobicContact CB-CE1 4.43Å; I233-F267 HydrophobicContact CB-CZ 4.48Å; I233-F267 HydrophobicContact CG2-CE1 4.19Å; I233-F267 HydrophobicContact CG2-CZ 4.06Å; I233-I316 WeakPolarHBondContact CA-O 3.33Å; I233-I316 HydrophobicContact CG1-CB 4.44Å
234	I	95.9	Very high	95.2	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	107.3	-178	-55.1	175.7	0	0	0	108.9	L232 F305 V315 I316 T318 L329 I330	L232-I234 HydrophobicContact CD2-CD1 4.07Å; L232-I234 HydrophobicContact CD2-CG1 4.16Å; L232-I234 HydrophobicContact CG-CD1 4.49Å; L232-I234 HydrophobicContact CG-CG1 4.07Å; I234-F305 HydrophobicContact CD1-CD1 4.09Å; I234-F305 HydrophobicContact CD1-CD2 4.23Å; I234-F305 HydrophobicContact CD1-CE1 4.03Å; I234-F305 HydrophobicContact CD1-CE2 4.16Å; I234-F305 HydrophobicContact CD1-CG 4.21Å; I234-F305 HydrophobicContact CD1-CZ 4.07Å; I234-F305 HydrophobicContact CG1-CD1 4.49Å; I234-F305 HydrophobicContact CG1-CE1 4.05Å; I234-F305 HydrophobicContact CG1-CZ 4.18Å; I234-F305 HydrophobicContact CG2-CE1 4.29Å; I234-F305 HydrophobicContact CG2-CE2 4.04Å; I234-F305 HydrophobicContact CG2-CZ 3.62Å; I234-V315 HydrophobicContact CD1-CG1 4.08Å; I234-I316 PolarHBondContact N-O 2.99Å; I234-T318 PolarHBondContact O-N 3.34Å; I234-T318 PolarHBondContact O-OG1 3.31Å; I234-L329 HydrophobicContact CG2-CD1 3.68Å; I234-I330 HydrophobicContact CD1-CD1 3.65Å; I234-I330 HydrophobicContact CD1-CG1 4.1Å
235	G	92.8	Very high	95.4	Very high	11 Å²	11	28.3 Å²	28.3	11%	0.113	17%	0.172	C	C	.	.			trans	104	117.3	-173.7	0	0	0	0	0	112.3	G237 G240 F257 T318	G235-G237 VanDerWaalsContact C-N 3.34Å; G235-G237 PolarHBondContact O-N 3.05Å; G235-G240 WeakPolarHBondContact O-CA 3.5Å; G235-F257 WeakPolarHBondContact CA-O 3.33Å; G235-F257 PolarHBondContact N-O 3.27Å; G235-T318 PolarHBondContact O-OG1 3.01Å
236	G	90.1	Very high	95.5	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.021	15%	0.145	C	C	.	.			trans	-95.4	45.9	175	0	0	0	0	0	112.6	D258 R260 F267	G236-D258 WeakPolarHBondContact CA-OD2 3.27Å; G236-D258 PolarHBondContact N-OD2 2.83Å; G236-R260 PolarHBondContact O-NH2 3.05Å; G236-F267 VanDerWaalsContact CA-CE2 3.48Å; G236-F267 VanDerWaalsContact CA-CZ 3.46Å
237	G	90.1	Very high	95.6	Very high	29 Å²	29	19.1 Å²	19.1	30%	0.299	13%	0.129	S	C	.	.	S	Bend	trans	-80.8	-173.6	165.7	0	0	0	0	0	111.6	G235 A239 G240 L241	G235-G237 VanDerWaalsContact C-N 3.34Å; G235-G237 PolarHBondContact O-N 3.05Å; G237-A239 VanDerWaalsContact C-N 3.27Å; G237-A239 PolarHBondContact O-N 3.36Å; G237-G240 PolarHBondContact O-N 2.94Å; G237-G240 VanDerWaalsContact O-N 3.15Å; G237-L241 WeakPolarHBondContact O-CG 3.27Å; G237-L241 PolarHBondContact O-N 3.15Å
238	V	91.4	Very high	95.6	Very high	63 Å²	63	20.9 Å²	20.9	38%	0.382	13%	0.126	S	C	.	.	H	α-helix	trans	-55.1	-42.5	177.7	-179.6	0	0	0	0	112.1	S194 A197 N198 A242	S194-V238 WeakPolarHBondContact O-CG1 3.44Å; A197-V238 HydrophobicContact CB-CB 4.05Å; A197-V238 HydrophobicContact CB-CG1 4.19Å; N198-V238 HydrophobicContact CB-CG1 3.92Å; V238-A242 VanDerWaalsContact O-CB 3.32Å; V238-A242 WeakPolarHBondContact O-CB 3.49Å; V238-A242 PolarHBondContact O-N 3.26Å
239	A	93.3	Very high	95.5	Very high	11 Å²	11	23.4 Å²	23.4	9%	0.091	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-47	176.4	0	0	0	0	0	113	A197 G201 G237 A242 A243 T318 M347	A197-A239 HydrophobicContact CB-CB 4.07Å; A197-A239 VanDerWaalsContact O-CA 3.3Å; A197-A239 WeakPolarHBondContact O-CA 3.25Å; A197-A239 WeakPolarHBondContact O-CB 3.37Å; G201-A239 WeakPolarHBondContact CA-O 3.18Å; G237-A239 VanDerWaalsContact C-N 3.27Å; G237-A239 PolarHBondContact O-N 3.36Å; A239-A242 PolarHBondContact O-N 3.08Å; A239-A243 WeakPolarHBondContact O-CB 3.36Å; A239-A243 PolarHBondContact O-N 2.99Å; A239-T318 HydrophobicContact CB-CG2 4.18Å; A239-M347 HydrophobicContact CB-CE 3.52Å; A239-M347 HydrophobicContact CB-SD 4.31Å
240	G	95.3	Very high	95.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-41.7	-179.8	0	0	0	0	0	112.9	G235 G237 A243 A244	G235-G240 WeakPolarHBondContact O-CA 3.5Å; G237-G240 PolarHBondContact O-N 2.94Å; G237-G240 VanDerWaalsContact O-N 3.15Å; G240-A243 PolarHBondContact O-N 3.46Å; G240-A244 WeakPolarHBondContact O-CB 3.27Å; G240-A244 PolarHBondContact O-N 3.38Å
241	L	95	Very high	95.3	Very high	34 Å²	34	24.8 Å²	24.8	18%	0.178	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-39.1	176	-64.7	172.6	0	0	0	111.9	G237 A244 G245 Q266 F267 L270	G237-L241 WeakPolarHBondContact O-CG 3.27Å; G237-L241 PolarHBondContact O-N 3.15Å; L241-A244 PolarHBondContact O-N 2.95Å; L241-G245 PolarHBondContact O-N 3.49Å; L241-Q266 HydrophobicContact CD1-CB 4.26Å; L241-Q266 HydrophobicContact CD2-CB 3.8Å; L241-F267 HydrophobicContact CD2-CD1 4.1Å; L241-F267 HydrophobicContact CD2-CE1 4.2Å; L241-F267 HydrophobicContact CD2-CG 4.48Å; L241-L270 HydrophobicContact CB-CD1 4.06Å; L241-L270 HydrophobicContact CD2-CD1 3.77Å; L241-L270 HydrophobicContact CG-CD1 4.49Å
242	A	96.1	Very high	95.2	Very high	15 Å²	15	24.7 Å²	24.7	12%	0.124	16%	0.163	C	C	.	.	H	α-helix	trans	-62.7	-42.3	173.2	0	0	0	0	0	111.8	N198 V238 A239 T246	N198-A242 WeakPolarHBondContact O-CB 3.32Å; N198-A242 VanDerWaalsContact OD1-CB 3.27Å; N198-A242 WeakPolarHBondContact OD1-CB 3.37Å; V238-A242 VanDerWaalsContact O-CB 3.32Å; V238-A242 WeakPolarHBondContact O-CB 3.49Å; V238-A242 PolarHBondContact O-N 3.26Å; A239-A242 PolarHBondContact O-N 3.08Å; A242-T246 VanDerWaalsContact O-CB 3.32Å; A242-T246 WeakPolarHBondContact O-CB 3.32Å; A242-T246 PolarHBondContact O-N 3.18Å; A242-T246 PolarHBondContact O-OG1 2.69Å
243	A	97.3	Very high	95.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-41.3	173.8	0	0	0	0	0	111.6	V205 I233 A239 G240 T246 A247 I316	V205-A243 HydrophobicContact CG2-CB 3.84Å; V205-A243 WeakPolarHBondContact CG2-O 3.47Å; I233-A243 HydrophobicContact CD1-CB 3.85Å; A239-A243 WeakPolarHBondContact O-CB 3.36Å; A239-A243 PolarHBondContact O-N 2.99Å; G240-A243 PolarHBondContact O-N 3.46Å; A243-T246 PolarHBondContact O-N 3.19Å; A243-A247 VanDerWaalsContact O-CB 3.26Å; A243-A247 WeakPolarHBondContact O-CB 3.46Å; A243-A247 PolarHBondContact O-N 2.8Å; A243-I316 HydrophobicContact CB-CD1 4.22Å; A243-I316 HydrophobicContact CB-CG2 4.48Å
244	A	96.8	Very high	95.2	Very high	1 Å²	1	28 Å²	28	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-50.6	178.8	0	0	0	0	0	111.8	I233 G240 L241 T246 A247 R248 V254 F267 L270	I233-A244 HydrophobicContact CD1-CB 3.67Å; G240-A244 WeakPolarHBondContact O-CB 3.27Å; G240-A244 PolarHBondContact O-N 3.38Å; L241-A244 PolarHBondContact O-N 2.95Å; A244-T246 VanDerWaalsContact C-N 3.33Å; A244-T246 PolarHBondContact O-N 3.42Å; A244-A247 PolarHBondContact O-N 3.06Å; A244-R248 WeakPolarHBondContact O-CB 3.3Å; A244-R248 PolarHBondContact O-N 3.22Å; A244-V254 HydrophobicContact CB-CG1 4.05Å; A244-F267 HydrophobicContact CB-CD1 3.96Å; A244-F267 HydrophobicContact CB-CE1 3.87Å; A244-L270 HydrophobicContact CB-CD1 4.38Å
245	G	95.6	Very high	95.3	Very high	28 Å²	28	29.4 Å²	29.4	29%	0.289	19%	0.185	S	C	.	.	H	α-helix	trans	-59	-44.4	176.7	0	0	0	0	0	112	L241 A249	L241-G245 PolarHBondContact O-N 3.49Å; G245-A249 VanDerWaalsContact O-CB 3.27Å; G245-A249 WeakPolarHBondContact O-CB 3.25Å; G245-A249 PolarHBondContact O-N 2.82Å
246	T	97.1	Very high	95.5	Very high	24 Å²	24	28.9 Å²	28.9	15%	0.147	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-49.6	179.8	-53.7	0	0	0	0	111.8	Y202 V205 A242 A243 A244 R248 A249 M250	Y202-T246 HydrophobicContact CD2-CG2 3.63Å; Y202-T246 HydrophobicContact CE2-CG2 3.94Å; V205-T246 HydrophobicContact CB-CG2 3.89Å; V205-T246 HydrophobicContact CG1-CG2 3.8Å; V205-T246 HydrophobicContact CG2-CG2 4.4Å; A242-T246 VanDerWaalsContact O-CB 3.32Å; A242-T246 WeakPolarHBondContact O-CB 3.32Å; A242-T246 PolarHBondContact O-N 3.18Å; A242-T246 PolarHBondContact O-OG1 2.69Å; A243-T246 PolarHBondContact O-N 3.19Å; A244-T246 VanDerWaalsContact C-N 3.33Å; A244-T246 PolarHBondContact O-N 3.42Å; T246-R248 VanDerWaalsContact C-N 3.31Å; T246-R248 PolarHBondContact O-N 3.39Å; T246-A249 PolarHBondContact O-N 3.39Å; T246-M250 HydrophobicContact CG2-SD 4.48Å; T246-M250 WeakPolarHBondContact O-CG 3.4Å; T246-M250 PolarHBondContact O-N 3.04Å
247	A	97.3	Very high	95.7	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-38.2	179.9	0	0	0	0	0	111.7	V205 V231 A243 A244 M250 G251 A252 V254	V205-A247 HydrophobicContact CG1-CB 4.08Å; V205-A247 HydrophobicContact CG2-CB 4.22Å; V231-A247 HydrophobicContact CG1-CB 4.49Å; V231-A247 HydrophobicContact CG2-CB 4.33Å; A243-A247 VanDerWaalsContact O-CB 3.26Å; A243-A247 WeakPolarHBondContact O-CB 3.46Å; A243-A247 PolarHBondContact O-N 2.8Å; A244-A247 PolarHBondContact O-N 3.06Å; A247-M250 PolarHBondContact O-N 3.04Å; A247-G251 PolarHBondContact O-N 2.58Å; A247-A252 WeakPolarHBondContact O-CB 3.4Å; A247-A252 PolarHBondContact O-N 3.39Å; A247-A252 VanDerWaalsContact O-N 3.15Å; A247-V254 HydrophobicContact CB-CG2 3.74Å
248	R	95.8	Very high	95.8	Very high	116 Å²	116	28.3 Å²	28.3	44%	0.438	17%	0.169	S	C	.	.	H	α-helix	trans	-67.3	-43.6	177	-176	58.7	-170.4	147.8	1.9	112	A244 T246 M250 G251 A252 V254	A244-R248 WeakPolarHBondContact O-CB 3.3Å; A244-R248 PolarHBondContact O-N 3.22Å; T246-R248 VanDerWaalsContact C-N 3.31Å; T246-R248 PolarHBondContact O-N 3.39Å; R248-M250 PolarHBondContact O-N 3.22Å; R248-G251 WeakPolarHBondContact O-CA 3.47Å; R248-G251 PolarHBondContact O-N 3.25Å; R248-A252 PolarHBondContact NH1-O 2.9Å; R248-V254 HydrophobicContact CB-CG2 4.06Å
249	A	95	Very high	95.7	Very high	91 Å²	91	26.7 Å²	26.7	75%	0.752	16%	0.159	S	C	*	.	H	α-helix	trans	-61.5	-31.3	174.7	0	0	0	0	0	112.5	G245 T246 G251	G245-A249 VanDerWaalsContact O-CB 3.27Å; G245-A249 WeakPolarHBondContact O-CB 3.25Å; G245-A249 PolarHBondContact O-N 2.82Å; T246-A249 PolarHBondContact O-N 3.39Å; A249-G251 PolarHBondContact O-N 3.3Å
250	M	96.6	Very high	95.3	Very high	70 Å²	70	28.6 Å²	28.6	35%	0.345	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	1.1	172.2	-68.7	-175.7	70.7	0	0	114	V205 A209 F216 T217 T246 A247 R248	V205-M250 HydrophobicContact CG1-SD 3.88Å; A209-M250 HydrophobicContact CB-CE 3.87Å; F216-M250 HydrophobicContact CB-CB 4.32Å; F216-M250 HydrophobicContact CD1-CB 3.99Å; F216-M250 HydrophobicContact CD1-CE 4.48Å; T217-M250 PolarHBondContact OG1-O 3.24Å; T246-M250 HydrophobicContact CG2-SD 4.48Å; T246-M250 WeakPolarHBondContact O-CG 3.4Å; T246-M250 PolarHBondContact O-N 3.04Å; A247-M250 PolarHBondContact O-N 3.04Å; R248-M250 PolarHBondContact O-N 3.22Å
251	G	94.7	Very high	94.8	Very high	21 Å²	21	31.8 Å²	31.8	22%	0.216	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	11.4	173.8	0	0	0	0	0	115.6	A247 R248 A249	A247-G251 PolarHBondContact O-N 2.58Å; R248-G251 WeakPolarHBondContact O-CA 3.47Å; R248-G251 PolarHBondContact O-N 3.25Å; A249-G251 PolarHBondContact O-N 3.3Å
252	A	97.5	Very high	94.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.202	C	C	.	.			trans	-75.5	162.7	172.8	0	0	0	0	0	112	F216 A229 V231 A247 R248	F216-A252 HydrophobicContact CB-CB 4.47Å; F216-A252 HydrophobicContact CD1-CB 3.8Å; F216-A252 HydrophobicContact CE1-CB 4.46Å; F216-A252 HydrophobicContact CG-CB 4.42Å; A229-A252 WeakPolarHBondContact O-CB 3.21Å; V231-A252 HydrophobicContact CG2-CB 3.87Å; A247-A252 WeakPolarHBondContact O-CB 3.4Å; A247-A252 PolarHBondContact O-N 3.39Å; A247-A252 VanDerWaalsContact O-N 3.15Å; R248-A252 PolarHBondContact NH1-O 2.9Å
253	I	97.6	Very high	93.8	Very high	66 Å²	66	31.9 Å²	31.9	34%	0.338	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.8	164.3	-60.7	173.6	0	0	0	107.1	P228 A229 K230 V231	P228-I253 HydrophobicContact CB-CG1 4.35Å; P228-I253 HydrophobicContact CG-CD1 3.65Å; P228-I253 HydrophobicContact CG-CG1 3.87Å; A229-I253 PolarHBondContact O-N 3.39Å; K230-I253 WeakPolarHBondContact CA-O 3.41Å; V231-I253 PolarHBondContact N-O 3.15Å
254	V	98.2	Very high	93.4	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.9	-178.4	-176.2	0	0	0	0	109.5	V231 I233 A244 A247 R248 A272 E273	V231-V254 WeakPolarHBondContact O-CA 3.35Å; I233-V254 HydrophobicContact CD1-CG1 3.69Å; I233-V254 HydrophobicContact CG1-CG1 4.26Å; A244-V254 HydrophobicContact CB-CG1 4.05Å; A247-V254 HydrophobicContact CB-CG2 3.74Å; R248-V254 HydrophobicContact CB-CG2 4.06Å; V254-A272 HydrophobicContact CB-CB 3.9Å; V254-A272 HydrophobicContact CG1-CB 3.76Å; V254-A272 WeakPolarHBondContact O-CA 3.3Å; V254-E273 PolarHBondContact O-N 2.97Å
255	R	98.1	Very high	93	Very high	33 Å²	33	40.1 Å²	40.1	13%	0.125	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.4	170.7	-62	-179.1	169.8	163.6	1.4	108	V231 L232 I233 E273 L275 Q308 E311	V231-R255 PolarHBondContact O-N 3.29Å; L232-R255 CarbonylContact C-O 3.05Å; L232-R255 WeakPolarHBondContact CA-O 3.47Å; L232-R255 HydrophobicContact CD1-CB 4.15Å; I233-R255 PolarHBondContact N-O 3.3Å; R255-E273 CarbonylContact C-O 3.52Å; R255-E273 WeakPolarHBondContact CA-O 3.24Å; R255-E273 HydrophobicContact CG-CB 4.17Å; R255-E273 WeakPolarHBondContact CG-OE2 3.41Å; R255-E273 IonicContact CZ-OE2 3.73Å; R255-E273 IonicContact NE-OE2 3.51Å; R255-E273 PolarHBondContact NE-OE2 2.99Å; R255-E273 IonicContact NH2-OE2 2.85Å; R255-L275 HydrophobicContact CB-CD1 4.07Å; R255-L275 HydrophobicContact CB-CD2 4.43Å; R255-L275 HydrophobicContact CB-CG 4.23Å; R255-Q308 VanDerWaalsContact CD-OE1 3.24Å; R255-E311 IonicContact CZ-OE2 2.74Å; R255-E311 IonicContact NH1-OE2 2.75Å; R255-E311 PolarHBondContact NH1-OE2 3.31Å; R255-E311 VanDerWaalsContact NH1-OE2 3.1Å; R255-E311 IonicContact NH2-OE2 3.27Å
256	G	96.4	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.8	-176.6	0	0	0	0	0	111.3	I233 E273 P274 L275	I233-G256 WeakPolarHBondContact O-CA 3.31Å; G256-E273 PolarHBondContact N-O 2.94Å; G256-P274 WeakPolarHBondContact O-CA 3.4Å; G256-L275 PolarHBondContact O-N 3.32Å
257	F	95.4	Very high	92.5	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.2	172	-179.4	-92.6	0	0	0	110.3	I233 G235 T259 L275 V277 F297 E301 L304 F305	I233-F257 PolarHBondContact O-N 3.47Å; G235-F257 WeakPolarHBondContact CA-O 3.33Å; G235-F257 PolarHBondContact N-O 3.27Å; F257-T259 HydrophobicContact CE1-CG2 4.25Å; F257-L275 HydrophobicContact CB-CB 4.29Å; F257-L275 HydrophobicContact CD2-CB 4.09Å; F257-L275 VanDerWaalsContact CD2-O 3.29Å; F257-L275 WeakPolarHBondContact CD2-O 3.32Å; F257-V277 HydrophobicContact CE2-CG1 3.95Å; F257-V277 HydrophobicContact CZ-CG1 4.23Å; F257-F297 HydrophobicContact CZ-CE1 4.32Å; F257-F297 HydrophobicContact CZ-CZ 4.25Å; F257-E301 HydrophobicContact CE1-CG 3.84Å; F257-E301 VanDerWaalsContact CE1-OE1 3.23Å; F257-E301 WeakPolarHBondContact CE1-OE1 3.3Å; F257-E301 HydrophobicContact CZ-CG 4.01Å; F257-L304 HydrophobicContact CD2-CD2 3.77Å; F257-L304 HydrophobicContact CE2-CD2 3.88Å; F257-F305 HydrophobicContact CB-CE1 4.02Å; F257-F305 AromaticContact CD1-CE1 3.7Å; F257-F305 HydrophobicContact CD1-CE1 3.7Å; F257-F305 AromaticContact CD1-CZ 3.46Å; F257-F305 HydrophobicContact CD1-CZ 3.46Å; F257-F305 VanDerWaalsContact CD1-CZ 3.46Å; F257-F305 HydrophobicContact CE1-CE1 4.31Å; F257-F305 AromaticContact CE1-CZ 3.83Å; F257-F305 HydrophobicContact CE1-CZ 3.83Å; F257-F305 AromaticContact CG-CE1 3.81Å; F257-F305 HydrophobicContact CG-CE1 3.81Å; F257-F305 HydrophobicContact CG-CZ 4.07Å
258	D	92.4	Very high	92.2	Very high	14 Å²	14	48.9 Å²	48.9	8%	0.075	27%	0.265	C	S	.	.			trans	-150.7	150.9	168.7	-166.4	-71.8	0	0	0	108.3	G236 R260 A263 F267	G236-D258 WeakPolarHBondContact CA-OD2 3.27Å; G236-D258 PolarHBondContact N-OD2 2.83Å; D258-R260 PolarHBondContact O-N 3.01Å; D258-R260 VanDerWaalsContact OD1-CB 3.27Å; D258-R260 WeakPolarHBondContact OD1-CB 3.46Å; D258-R260 WeakPolarHBondContact OD1-CG 3.5Å; D258-R260 IonicContact OD1-CZ 3.54Å; D258-R260 PolarHBondContact OD1-N 2.72Å; D258-R260 IonicContact OD1-NE 2.72Å; D258-R260 PolarHBondContact OD1-NE 3.38Å; D258-R260 IonicContact OD1-NH2 3.6Å; D258-R260 IonicContact OD2-CZ 3.14Å; D258-R260 IonicContact OD2-NE 3.89Å; D258-R260 IonicContact OD2-NH2 2.82Å; D258-R260 PolarHBondContact OD2-NH2 3.49Å; D258-A263 HydrophobicContact CB-CB 3.63Å; D258-A263 VanDerWaalsContact CG-CB 3.49Å; D258-F267 HydrophobicContact CB-CE2 4.32Å
259	T	87.9	Confident	91.9	Very high	29 Å²	29	48 Å²	48	18%	0.178	28%	0.276	C	S	.	.	S	Bend	trans	-74.8	-12.7	178.5	58.4	0	0	0	0	113.1	F257 G283 M293 F297	F257-T259 HydrophobicContact CE1-CG2 4.25Å; T259-G283 WeakPolarHBondContact O-CA 3.45Å; T259-G283 PolarHBondContact O-N 3.22Å; T259-M293 HydrophobicContact CG2-CG 4.08Å; T259-F297 HydrophobicContact CG2-CE1 3.77Å; T259-F297 HydrophobicContact CG2-CZ 4.11Å
260	R	86	Confident	91.6	Very high	51 Å²	51	46.9 Å²	46.9	19%	0.192	26%	0.257	C	S	.	.	S	Bend	trans	-98.9	129	-179.3	-58	167.1	-64.9	149.2	11.4	110.9	G236 D258 A262 A263 L264 G288	G236-R260 PolarHBondContact O-NH2 3.05Å; D258-R260 PolarHBondContact O-N 3.01Å; D258-R260 VanDerWaalsContact OD1-CB 3.27Å; D258-R260 WeakPolarHBondContact OD1-CB 3.46Å; D258-R260 WeakPolarHBondContact OD1-CG 3.5Å; D258-R260 IonicContact OD1-CZ 3.54Å; D258-R260 PolarHBondContact OD1-N 2.72Å; D258-R260 IonicContact OD1-NE 2.72Å; D258-R260 PolarHBondContact OD1-NE 3.38Å; D258-R260 IonicContact OD1-NH2 3.6Å; D258-R260 IonicContact OD2-CZ 3.14Å; D258-R260 IonicContact OD2-NE 3.89Å; D258-R260 IonicContact OD2-NH2 2.82Å; D258-R260 PolarHBondContact OD2-NH2 3.49Å; R260-A262 VanDerWaalsContact C-N 3.32Å; R260-A262 PolarHBondContact O-N 2.98Å; R260-A263 HydrophobicContact CB-CB 4.3Å; R260-A263 PolarHBondContact O-N 3.07Å; R260-A263 VanDerWaalsContact O-N 3.1Å; R260-L264 PolarHBondContact O-N 3.08Å; R260-G288 PolarHBondContact NH1-O 3.21Å
261	A	83.9	Confident	91.3	Very high	67 Å²	67	45.9 Å²	45.9	55%	0.554	27%	0.265	S	S	*	.	H	α-helix	trans	-58.1	-41.2	178.6	0	0	0	0	0	112.9	A263 L264 E265	A261-A263 VanDerWaalsContact C-N 3.26Å; A261-A263 PolarHBondContact O-N 3.27Å; A261-L264 WeakPolarHBondContact O-CB 3.48Å; A261-L264 PolarHBondContact O-N 3.46Å; A261-L264 VanDerWaalsContact O-N 3.14Å; A261-E265 PolarHBondContact O-N 3.36Å; A261-E265 VanDerWaalsContact O-N 3.09Å
262	A	83.3	Confident	91.3	Very high	51 Å²	51	45.2 Å²	45.2	42%	0.421	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-34.3	178.1	0	0	0	0	0	113.2	R260 Q266	R260-A262 VanDerWaalsContact C-N 3.32Å; R260-A262 PolarHBondContact O-N 2.98Å; A262-Q266 VanDerWaalsContact O-CG 3.31Å; A262-Q266 WeakPolarHBondContact O-CG 3.21Å; A262-Q266 PolarHBondContact O-N 3.24Å; A262-Q266 VanDerWaalsContact O-N 3.16Å
263	A	87.1	Confident	91.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-74.4	-32.9	178.2	0	0	0	0	0	112.1	D258 R260 A261 Q266 F267	D258-A263 HydrophobicContact CB-CB 3.63Å; D258-A263 VanDerWaalsContact CG-CB 3.49Å; R260-A263 HydrophobicContact CB-CB 4.3Å; R260-A263 PolarHBondContact O-N 3.07Å; R260-A263 VanDerWaalsContact O-N 3.1Å; A261-A263 VanDerWaalsContact C-N 3.26Å; A261-A263 PolarHBondContact O-N 3.27Å; A263-Q266 WeakPolarHBondContact O-CB 3.33Å; A263-Q266 PolarHBondContact O-N 3.28Å; A263-F267 VanDerWaalsContact O-CD2 3.31Å; A263-F267 WeakPolarHBondContact O-CD2 3.25Å; A263-F267 PolarHBondContact O-N 3.46Å
264	L	89.4	Confident	91.1	Very high	25 Å²	25	48.4 Å²	48.4	13%	0.131	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-39.7	172.9	-64.1	176.6	0	0	0	111.9	R260 A261 Q266 F267 K268 P274 E276	R260-L264 PolarHBondContact O-N 3.08Å; A261-L264 WeakPolarHBondContact O-CB 3.48Å; A261-L264 PolarHBondContact O-N 3.46Å; A261-L264 VanDerWaalsContact O-N 3.14Å; L264-Q266 VanDerWaalsContact C-N 3.3Å; L264-Q266 PolarHBondContact O-N 2.86Å; L264-F267 HydrophobicContact CD2-CD2 4.46Å; L264-F267 PolarHBondContact O-N 2.97Å; L264-K268 PolarHBondContact O-N 3.31Å; L264-P274 HydrophobicContact CB-CB 4.03Å; L264-P274 HydrophobicContact CD2-CB 4Å; L264-E276 HydrophobicContact CD1-CG 4.32Å
265	E	87.8	Confident	91	Very high	149 Å²	149	48.8 Å²	48.8	70%	0.696	28%	0.276	S	S	*	.	H	α-helix	trans	-61.8	-39.5	173	-167.7	-179	179	0	0	111.5	A261 K268 S269	A261-E265 PolarHBondContact O-N 3.36Å; A261-E265 VanDerWaalsContact O-N 3.09Å; E265-K268 WeakPolarHBondContact O-CB 3.43Å; E265-K268 PolarHBondContact O-N 2.86Å; E265-S269 PolarHBondContact O-N 2.91Å
266	Q	89.6	Confident	90.6	Very high	87 Å²	87	53.9 Å²	53.9	41%	0.407	30%	0.301	S	S	.	.	H	α-helix	trans	-66.2	-38.4	174.1	-71	172.2	-14.4	0	0	113	L241 A262 A263 L264 K268 S269 L270	L241-Q266 HydrophobicContact CD1-CB 4.26Å; L241-Q266 HydrophobicContact CD2-CB 3.8Å; A262-Q266 VanDerWaalsContact O-CG 3.31Å; A262-Q266 WeakPolarHBondContact O-CG 3.21Å; A262-Q266 PolarHBondContact O-N 3.24Å; A262-Q266 VanDerWaalsContact O-N 3.16Å; A263-Q266 WeakPolarHBondContact O-CB 3.33Å; A263-Q266 PolarHBondContact O-N 3.28Å; L264-Q266 VanDerWaalsContact C-N 3.3Å; L264-Q266 PolarHBondContact O-N 2.86Å; Q266-K268 VanDerWaalsContact C-N 3.32Å; Q266-K268 PolarHBondContact O-N 3.06Å; Q266-S269 PolarHBondContact O-N 3.21Å; Q266-S269 PolarHBondContact O-OG 3.36Å; Q266-L270 WeakPolarHBondContact O-CG 3.34Å; Q266-L270 PolarHBondContact O-N 3.33Å
267	F	92.3	Very high	90.2	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-43.7	171.7	-81.9	-56.2	0	0	0	111.4	I233 G236 L241 A244 D258 A263 L264 S269 L270 G271 A272	I233-F267 HydrophobicContact CB-CE1 4.43Å; I233-F267 HydrophobicContact CB-CZ 4.48Å; I233-F267 HydrophobicContact CG2-CE1 4.19Å; I233-F267 HydrophobicContact CG2-CZ 4.06Å; G236-F267 VanDerWaalsContact CA-CE2 3.48Å; G236-F267 VanDerWaalsContact CA-CZ 3.46Å; L241-F267 HydrophobicContact CD2-CD1 4.1Å; L241-F267 HydrophobicContact CD2-CE1 4.2Å; L241-F267 HydrophobicContact CD2-CG 4.48Å; A244-F267 HydrophobicContact CB-CD1 3.96Å; A244-F267 HydrophobicContact CB-CE1 3.87Å; D258-F267 HydrophobicContact CB-CE2 4.32Å; A263-F267 VanDerWaalsContact O-CD2 3.31Å; A263-F267 WeakPolarHBondContact O-CD2 3.25Å; A263-F267 PolarHBondContact O-N 3.46Å; L264-F267 HydrophobicContact CD2-CD2 4.46Å; L264-F267 PolarHBondContact O-N 2.97Å; F267-S269 PolarHBondContact O-N 3.45Å; F267-L270 PolarHBondContact O-N 3.16Å; F267-G271 PolarHBondContact O-N 2.74Å; F267-A272 HydrophobicContact CB-CB 4.17Å; F267-A272 HydrophobicContact CD1-CB 4.22Å; F267-A272 WeakPolarHBondContact O-CB 3.35Å; F267-A272 PolarHBondContact O-N 3.15Å
268	K	92.3	Very high	89.4	Confident	148 Å²	148	63.1 Å²	63.1	64%	0.643	35%	0.352	S	S	*	.	H	α-helix	trans	-62.9	-41.3	178.4	-171	177.4	-179.3	179	0	112.1	L264 E265 Q266 L270 G271 P274	L264-K268 PolarHBondContact O-N 3.31Å; E265-K268 WeakPolarHBondContact O-CB 3.43Å; E265-K268 PolarHBondContact O-N 2.86Å; Q266-K268 VanDerWaalsContact C-N 3.32Å; Q266-K268 PolarHBondContact O-N 3.06Å; K268-L270 VanDerWaalsContact C-N 3.26Å; K268-L270 PolarHBondContact O-N 3.34Å; K268-G271 PolarHBondContact O-N 3.15Å; K268-P274 HydrophobicContact CB-CG 4.34Å
269	S	88.1	Confident	89	Confident	97 Å²	97	65.6 Å²	65.6	68%	0.678	36%	0.364	S	S	*	.	H	α-helix	trans	-66.3	-27.8	177.8	73.2	0	0	0	0	113	E265 Q266 F267 G271	E265-S269 PolarHBondContact O-N 2.91Å; Q266-S269 PolarHBondContact O-N 3.21Å; Q266-S269 PolarHBondContact O-OG 3.36Å; F267-S269 PolarHBondContact O-N 3.45Å; S269-G271 VanDerWaalsContact C-N 3.26Å; S269-G271 PolarHBondContact O-N 3.47Å
270	L	90.3	Very high	88.3	Confident	69 Å²	69	73.6 Å²	73.6	36%	0.361	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	1.2	171.5	-66.6	175.6	0	0	0	113.8	L241 A244 Q266 F267 K268	L241-L270 HydrophobicContact CB-CD1 4.06Å; L241-L270 HydrophobicContact CD2-CD1 3.77Å; L241-L270 HydrophobicContact CG-CD1 4.49Å; A244-L270 HydrophobicContact CB-CD1 4.38Å; Q266-L270 WeakPolarHBondContact O-CG 3.34Å; Q266-L270 PolarHBondContact O-N 3.33Å; F267-L270 PolarHBondContact O-N 3.16Å; K268-L270 VanDerWaalsContact C-N 3.26Å; K268-L270 PolarHBondContact O-N 3.34Å
271	G	89.8	Confident	88.1	Confident	48 Å²	48	74 Å²	74	50%	0.495	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	20	-179.6	0	0	0	0	0	114.6	F267 K268 S269	F267-G271 PolarHBondContact O-N 2.74Å; K268-G271 PolarHBondContact O-N 3.15Å; S269-G271 VanDerWaalsContact C-N 3.26Å; S269-G271 PolarHBondContact O-N 3.47Å
272	A	94.4	Very high	87.6	Confident	8 Å²	8	74 Å²	74	7%	0.066	40%	0.4	C	S	.	.			trans	-87.3	154.6	168.1	0	0	0	0	0	111	V254 F267 P274	V254-A272 HydrophobicContact CB-CB 3.9Å; V254-A272 HydrophobicContact CG1-CB 3.76Å; V254-A272 WeakPolarHBondContact O-CA 3.3Å; F267-A272 HydrophobicContact CB-CB 4.17Å; F267-A272 HydrophobicContact CD1-CB 4.22Å; F267-A272 WeakPolarHBondContact O-CB 3.35Å; F267-A272 PolarHBondContact O-N 3.15Å; A272-P274 VanDerWaalsContact O-CD 3.24Å; A272-P274 WeakPolarHBondContact O-CD 3.27Å
273	E	96.1	Very high	87	Confident	92 Å²	92	71.7 Å²	71.7	43%	0.43	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	110.4	172.6	-178.3	-177	-179.4	0	0	108.9	V254 R255 G256 L275	V254-E273 PolarHBondContact O-N 2.97Å; R255-E273 CarbonylContact C-O 3.52Å; R255-E273 WeakPolarHBondContact CA-O 3.24Å; R255-E273 HydrophobicContact CG-CB 4.17Å; R255-E273 WeakPolarHBondContact CG-OE2 3.41Å; R255-E273 IonicContact CZ-OE2 3.73Å; R255-E273 IonicContact NE-OE2 3.51Å; R255-E273 PolarHBondContact NE-OE2 2.99Å; R255-E273 IonicContact NH2-OE2 2.85Å; G256-E273 PolarHBondContact N-O 2.94Å; E273-L275 HydrophobicContact CG-CD2 4.43Å; E273-L275 PolarHBondContact O-N 2.91Å
274	P	95.3	Very high	86.3	Confident	40 Å²	40	77.2 Å²	77.2	26%	0.26	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.5	173.9	30	-33	0	0	0	109.3	G256 L264 K268 A272	G256-P274 WeakPolarHBondContact O-CA 3.4Å; L264-P274 HydrophobicContact CB-CB 4.03Å; L264-P274 HydrophobicContact CD2-CB 4Å; K268-P274 HydrophobicContact CB-CG 4.34Å; A272-P274 VanDerWaalsContact O-CD 3.24Å; A272-P274 WeakPolarHBondContact O-CD 3.27Å
275	L	94.6	Very high	85.2	Confident	12 Å²	12	77.4 Å²	77.4	6%	0.063	41%	0.414	C	S	.	.			trans	-93	138.8	175.3	-60	179.8	0	0	0	109.9	L232 R255 G256 F257 E273 L304 Q308	L232-L275 HydrophobicContact CD1-CD1 3.56Å; R255-L275 HydrophobicContact CB-CD1 4.07Å; R255-L275 HydrophobicContact CB-CD2 4.43Å; R255-L275 HydrophobicContact CB-CG 4.23Å; G256-L275 PolarHBondContact O-N 3.32Å; F257-L275 HydrophobicContact CB-CB 4.29Å; F257-L275 HydrophobicContact CD2-CB 4.09Å; F257-L275 VanDerWaalsContact CD2-O 3.29Å; F257-L275 WeakPolarHBondContact CD2-O 3.32Å; E273-L275 HydrophobicContact CG-CD2 4.43Å; E273-L275 PolarHBondContact O-N 2.91Å; L275-L304 HydrophobicContact CB-CD2 4.16Å; L275-Q308 HydrophobicContact CD1-CG 3.85Å
276	E	89.9	Confident	83.9	Confident	140 Å²	140	78.6 Å²	78.6	65%	0.654	42%	0.42	S	S	*	.			trans	-122.4	155.3	179.3	-65.6	179.6	-171.1	0	0	110.3	L264	L264-E276 HydrophobicContact CD1-CG 4.32Å
277	V	88.4	Confident	82.5	Confident	23 Å²	23	77.3 Å²	77.3	14%	0.139	43%	0.43	C	S	.	.			trans	-104.9	151	170.2	-70.7	0	0	0	0	109.6	F257 I279 F297 A300 E301 L304	F257-V277 HydrophobicContact CE2-CG1 3.95Å; F257-V277 HydrophobicContact CZ-CG1 4.23Å; V277-I279 PolarHBondContact O-N 3.39Å; V277-F297 HydrophobicContact CG2-CD2 3.95Å; V277-F297 HydrophobicContact CG2-CE1 4.39Å; V277-F297 HydrophobicContact CG2-CE2 3.29Å; V277-F297 HydrophobicContact CG2-CZ 3.55Å; V277-A300 HydrophobicContact CB-CB 4.44Å; V277-E301 HydrophobicContact CG1-CB 4.43Å; V277-L304 HydrophobicContact CG1-CB 4.38Å; V277-L304 HydrophobicContact CG1-CD2 3.85Å
278	D	79.3	Confident	81.1	Confident	174 Å²	174	79.5 Å²	79.5	93%	0.93	45%	0.453	S	S	*	.	S	Bend	trans	-66.5	-8.9	-176.5	-63.3	-39.6	0	0	0	113.9
279	I	82.5	Confident	79.8	Confident	67 Å²	67	76.5 Å²	76.5	34%	0.344	44%	0.438	S	S	.	.	S	Bend	trans	-101.5	114.9	-179.8	-58.5	176.4	0	0	0	109.4	V277 E281 E296 F297 A300	V277-I279 PolarHBondContact O-N 3.39Å; I279-E281 PolarHBondContact O-N 3.5Å; I279-E296 HydrophobicContact CD1-CB 4.19Å; I279-E296 WeakPolarHBondContact CD1-O 3.35Å; I279-F297 HydrophobicContact CB-CD2 4.49Å; I279-F297 HydrophobicContact CG2-CD2 4.45Å; I279-A300 HydrophobicContact CD1-CB 3.85Å; I279-A300 HydrophobicContact CG1-CB 4.38Å
280	Q	75	Confident	79	Confident	197 Å²	197	73.7 Å²	73.7	92%	0.921	42%	0.421	S	S	*	.			trans	-83.8	94.9	175	-68.1	-158.5	-9.6	0	0	111.4
281	E	80.1	Confident	78.3	Confident	58 Å²	58	74.9 Å²	74.9	27%	0.271	42%	0.423	S	S	.	.			trans	-123.2	131.8	169.2	-173.7	-177.2	171.2	0	0	108.8	I279 G283 M293 S294 F297	I279-E281 PolarHBondContact O-N 3.5Å; E281-G283 PolarHBondContact O-N 3.34Å; E281-M293 HydrophobicContact CB-CE 3.73Å; E281-M293 HydrophobicContact CG-CE 3.65Å; E281-S294 PolarHBondContact OE1-N 3.29Å; E281-S294 WeakPolarHBondContact OE2-CB 3.4Å; E281-S294 PolarHBondContact OE2-N 3.33Å; E281-S294 PolarHBondContact OE2-OG 2.96Å; E281-F297 HydrophobicContact CB-CD2 3.95Å; E281-F297 HydrophobicContact CB-CE2 4.45Å; E281-F297 WeakPolarHBondContact OE2-CB 3.36Å
282	S	74.4	Confident	77.6	Confident	69 Å²	69	79.2 Å²	79.2	48%	0.483	43%	0.43	S	S	.	.			trans	-70.9	122.1	175.3	170.4	0	0	0	0	109.8	E284 K291	S282-E284 PolarHBondContact OG-N 3.3Å; S282-K291 WeakPolarHBondContact O-CE 3.43Å; S282-K291 PolarHBondContact O-NZ 3.47Å
283	G	70.4	Confident	77	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.01	43%	0.432	C	S	.	.			trans	-89.1	6.5	173.3	0	0	0	0	0	115.2	T259 E281 G285 A290 K291 M293	T259-G283 WeakPolarHBondContact O-CA 3.45Å; T259-G283 PolarHBondContact O-N 3.22Å; E281-G283 PolarHBondContact O-N 3.34Å; G283-G285 PolarHBondContact O-N 2.97Å; G283-A290 WeakPolarHBondContact O-CA 3.15Å; G283-K291 PolarHBondContact O-N 2.93Å; G283-M293 WeakPolarHBondContact CA-SD 3.4Å
284	E	72.4	Confident	76.4	Confident	118 Å²	118	77.1 Å²	77.1	55%	0.551	42%	0.423	S	S	*	.	B	Isolated β-bridge	trans	-69.4	127.4	-178.6	-64.9	-175.9	168.2	0	0	112.1	S282	S282-E284 PolarHBondContact OG-N 3.3Å
285	G	65.8	Low	76	Confident	29 Å²	29	83.5 Å²	83.5	30%	0.299	45%	0.447	S	S	.	.			trans	-117.4	-178.1	172.1	0	0	0	0	0	112.4	G283 Y289	G283-G285 PolarHBondContact O-N 2.97Å; G285-Y289 CarbonylContact C-O 3.41Å; G285-Y289 WeakPolarHBondContact CA-O 3.3Å; G285-Y289 PolarHBondContact N-O 3.49Å
286	Q	61.6	Low	75.6	Confident	173 Å²	173	88.7 Å²	88.7	81%	0.808	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-69.3	144.5	179.9	-71.3	-175.6	-3.6	0	0	112.1	G288 Y289	Q286-G288 PolarHBondContact O-N 3.06Å; Q286-Y289 PolarHBondContact O-N 2.95Å
287	G	59.3	Low	75.5	Confident	61 Å²	61	82.4 Å²	82.4	63%	0.629	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	67	20.8	176.1	0	0	0	0	0	114.9	Y289	G287-Y289 VanDerWaalsContact C-N 3.29Å; G287-Y289 PolarHBondContact O-N 2.83Å
288	G	62.3	Low	75.4	Confident	46 Å²	46	84.4 Å²	84.4	47%	0.474	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	79.5	5.6	-178.9	0	0	0	0	0	114.6	R260 Q286	R260-G288 PolarHBondContact NH1-O 3.21Å; Q286-G288 PolarHBondContact O-N 3.06Å
289	Y	66.7	Low	75.8	Confident	84 Å²	84	83.2 Å²	83.2	33%	0.329	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-80.8	156.9	172	-69.7	-80.1	0	0	0	111.5	R183 G285 Q286 G287 P322	R183-Y289 PolarHBondContact NE-OH 2.82Å; R183-Y289 VanDerWaalsContact NH1-CE1 3.35Å; R183-Y289 PolarHBondContact NH1-OH 2.87Å; R183-Y289 VanDerWaalsContact NH1-OH 3.14Å; R183-Y289 PolarHBondContact NH2-OH 3.45Å; G285-Y289 CarbonylContact C-O 3.41Å; G285-Y289 WeakPolarHBondContact CA-O 3.3Å; G285-Y289 PolarHBondContact N-O 3.49Å; Q286-Y289 PolarHBondContact O-N 2.95Å; G287-Y289 VanDerWaalsContact C-N 3.29Å; G287-Y289 PolarHBondContact O-N 2.83Å; Y289-P322 HydrophobicContact CD1-CG 4.43Å; Y289-P322 HydrophobicContact CE1-CG 3.74Å
290	A	70.7	Confident	76.2	Confident	38 Å²	38	81.2 Å²	81.2	31%	0.314	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-76.3	145.8	170.5	0	0	0	0	0	110.6	G283	G283-A290 WeakPolarHBondContact O-CA 3.15Å
291	K	75.6	Confident	77	Confident	95 Å²	95	72.6 Å²	72.6	41%	0.413	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-89	166.3	165.6	68.8	174	-175.2	-170.4	0	110.6	S282 G283	S282-K291 WeakPolarHBondContact O-CE 3.43Å; S282-K291 PolarHBondContact O-NZ 3.47Å; G283-K291 PolarHBondContact O-N 2.93Å
292	E	74	Confident	77.6	Confident	139 Å²	139	71.4 Å²	71.4	65%	0.65	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-68.6	129.1	172.8	-164.4	167.5	174.4	0	0	109.8	R324	E292-R324 IonicContact OE2-NH1 2.87Å; E292-R324 PolarHBondContact OE2-NH1 2.95Å
293	M	81.9	Confident	78.5	Confident	20 Å²	20	76 Å²	76	10%	0.099	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-87.3	162.2	-175.5	-58.9	-57	-70.9	0	0	111.7	T259 E281 G283 F297 I298	T259-M293 HydrophobicContact CG2-CG 4.08Å; E281-M293 HydrophobicContact CB-CE 3.73Å; E281-M293 HydrophobicContact CG-CE 3.65Å; G283-M293 WeakPolarHBondContact CA-SD 3.4Å; M293-F297 HydrophobicContact CB-CB 4.06Å; M293-F297 HydrophobicContact CB-CD1 3.62Å; M293-F297 HydrophobicContact CB-CE1 4.36Å; M293-F297 HydrophobicContact CB-CG 3.99Å; M293-F297 HydrophobicContact CE-CB 4.46Å; M293-F297 HydrophobicContact CE-CD1 3.82Å; M293-F297 HydrophobicContact CE-CD2 3.56Å; M293-F297 HydrophobicContact CE-CE1 3.88Å; M293-F297 HydrophobicContact CE-CE2 3.58Å; M293-F297 HydrophobicContact CE-CG 3.67Å; M293-F297 HydrophobicContact CE-CZ 3.76Å; M293-F297 HydrophobicContact CG-CD1 3.71Å; M293-F297 HydrophobicContact CG-CE1 3.93Å; M293-F297 HydrophobicContact CG-CG 4.32Å; M293-I298 HydrophobicContact CB-CG1 4.3Å
294	S	84.8	Confident	79.7	Confident	35 Å²	35	77.3 Å²	77.3	25%	0.245	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-60	157.7	172.8	66.8	0	0	0	0	112.4	E281 E296 F297 I298	E281-S294 PolarHBondContact OE1-N 3.29Å; E281-S294 WeakPolarHBondContact OE2-CB 3.4Å; E281-S294 PolarHBondContact OE2-N 3.33Å; E281-S294 PolarHBondContact OE2-OG 2.96Å; S294-E296 PolarHBondContact O-N 3.47Å; S294-F297 PolarHBondContact O-N 3.05Å; S294-F297 WeakPolarHBondContact OG-CB 3.49Å; S294-F297 PolarHBondContact OG-N 2.93Å; S294-I298 WeakPolarHBondContact O-CG1 3.41Å; S294-I298 PolarHBondContact O-N 3.3Å
295	K	85.9	Confident	80.8	Confident	174 Å²	174	71.7 Å²	71.7	76%	0.757	38%	0.379	S	S	*	.	H	α-helix	trans	-63	-37.3	179.1	-72.8	-175.9	177.8	179.9	0	111.5	F297 I298 E299	K295-F297 VanDerWaalsContact C-N 3.35Å; K295-I298 PolarHBondContact O-N 3.24Å; K295-E299 PolarHBondContact O-N 2.66Å
296	E	85.8	Confident	82.2	Confident	121 Å²	121	71.8 Å²	71.8	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-63.8	-41.2	178	-62.4	73.3	-163.5	0	0	110.9	I279 S294 E299 A300	I279-E296 HydrophobicContact CD1-CB 4.19Å; I279-E296 WeakPolarHBondContact CD1-O 3.35Å; S294-E296 PolarHBondContact O-N 3.47Å; E296-E299 PolarHBondContact O-N 3.05Å; E296-A300 PolarHBondContact O-N 3.19Å; E296-A300 VanDerWaalsContact O-N 3.08Å
297	F	87.6	Confident	83.8	Confident	8 Å²	8	70 Å²	70	4%	0.035	37%	0.367	C	S	.	.	H	α-helix	trans	-64.2	-46.6	174.3	-173.9	-79.8	0	0	0	111.6	F257 T259 V277 I279 E281 M293 S294 K295 E299 A300 E301	F257-F297 HydrophobicContact CZ-CE1 4.32Å; F257-F297 HydrophobicContact CZ-CZ 4.25Å; T259-F297 HydrophobicContact CG2-CE1 3.77Å; T259-F297 HydrophobicContact CG2-CZ 4.11Å; V277-F297 HydrophobicContact CG2-CD2 3.95Å; V277-F297 HydrophobicContact CG2-CE1 4.39Å; V277-F297 HydrophobicContact CG2-CE2 3.29Å; V277-F297 HydrophobicContact CG2-CZ 3.55Å; I279-F297 HydrophobicContact CB-CD2 4.49Å; I279-F297 HydrophobicContact CG2-CD2 4.45Å; E281-F297 HydrophobicContact CB-CD2 3.95Å; E281-F297 HydrophobicContact CB-CE2 4.45Å; E281-F297 WeakPolarHBondContact OE2-CB 3.36Å; M293-F297 HydrophobicContact CB-CB 4.06Å; M293-F297 HydrophobicContact CB-CD1 3.62Å; M293-F297 HydrophobicContact CB-CE1 4.36Å; M293-F297 HydrophobicContact CB-CG 3.99Å; M293-F297 HydrophobicContact CE-CB 4.46Å; M293-F297 HydrophobicContact CE-CD1 3.82Å; M293-F297 HydrophobicContact CE-CD2 3.56Å; M293-F297 HydrophobicContact CE-CE1 3.88Å; M293-F297 HydrophobicContact CE-CE2 3.58Å; M293-F297 HydrophobicContact CE-CG 3.67Å; M293-F297 HydrophobicContact CE-CZ 3.76Å; M293-F297 HydrophobicContact CG-CD1 3.71Å; M293-F297 HydrophobicContact CG-CE1 3.93Å; M293-F297 HydrophobicContact CG-CG 4.32Å; S294-F297 PolarHBondContact O-N 3.05Å; S294-F297 WeakPolarHBondContact OG-CB 3.49Å; S294-F297 PolarHBondContact OG-N 2.93Å; K295-F297 VanDerWaalsContact C-N 3.35Å; F297-E299 VanDerWaalsContact C-N 3.3Å; F297-E299 PolarHBondContact O-N 3.3Å; F297-A300 PolarHBondContact O-N 3.23Å; F297-E301 HydrophobicContact CD1-CB 4.46Å; F297-E301 HydrophobicContact CE1-CB 4.38Å; F297-E301 WeakPolarHBondContact O-CB 3.26Å; F297-E301 PolarHBondContact O-N 2.95Å
298	I	86.4	Confident	85.6	Confident	66 Å²	66	68 Å²	68	34%	0.338	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-41.1	177.8	-65.7	169	0	0	0	110.3	M293 S294 K295 A300 E301 M302	M293-I298 HydrophobicContact CB-CG1 4.3Å; S294-I298 WeakPolarHBondContact O-CG1 3.41Å; S294-I298 PolarHBondContact O-N 3.3Å; K295-I298 PolarHBondContact O-N 3.24Å; I298-A300 PolarHBondContact O-N 3.38Å; I298-E301 PolarHBondContact O-N 3.19Å; I298-M302 HydrophobicContact CG2-CG 4.13Å; I298-M302 WeakPolarHBondContact O-CB 3.41Å; I298-M302 WeakPolarHBondContact O-CG 3.18Å; I298-M302 PolarHBondContact O-N 3.16Å
299	E	88.9	Confident	87.2	Confident	149 Å²	149	65.8 Å²	65.8	70%	0.696	32%	0.318	S	S	*	.	H	α-helix	trans	-62.8	-41.9	176.7	-171	175.4	-179.4	0	0	112.2	K295 E296 F297 M302 K303	K295-E299 PolarHBondContact O-N 2.66Å; E296-E299 PolarHBondContact O-N 3.05Å; F297-E299 VanDerWaalsContact C-N 3.3Å; F297-E299 PolarHBondContact O-N 3.3Å; E299-M302 PolarHBondContact O-N 3.43Å; E299-K303 WeakPolarHBondContact O-CB 3.46Å; E299-K303 PolarHBondContact O-N 2.93Å
300	A	90.3	Very high	88.6	Confident	25 Å²	25	67.5 Å²	67.5	21%	0.207	33%	0.329	C	S	.	.	H	α-helix	trans	-65.9	-41.5	175.1	0	0	0	0	0	112.5	V277 I279 E296 F297 I298 K303 L304	V277-A300 HydrophobicContact CB-CB 4.44Å; I279-A300 HydrophobicContact CD1-CB 3.85Å; I279-A300 HydrophobicContact CG1-CB 4.38Å; E296-A300 PolarHBondContact O-N 3.19Å; E296-A300 VanDerWaalsContact O-N 3.08Å; F297-A300 PolarHBondContact O-N 3.23Å; I298-A300 PolarHBondContact O-N 3.38Å; A300-K303 PolarHBondContact O-N 3.5Å; A300-L304 PolarHBondContact O-N 3.28Å
301	E	91.9	Very high	89.8	Confident	15 Å²	15	69.4 Å²	69.4	7%	0.07	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-48.4	174.4	176.9	-177.7	-161.2	0	0	111	F257 V277 F297 I298 K303 L304 F305	F257-E301 HydrophobicContact CE1-CG 3.84Å; F257-E301 VanDerWaalsContact CE1-OE1 3.23Å; F257-E301 WeakPolarHBondContact CE1-OE1 3.3Å; F257-E301 HydrophobicContact CZ-CG 4.01Å; V277-E301 HydrophobicContact CG1-CB 4.43Å; F297-E301 HydrophobicContact CD1-CB 4.46Å; F297-E301 HydrophobicContact CE1-CB 4.38Å; F297-E301 WeakPolarHBondContact O-CB 3.26Å; F297-E301 PolarHBondContact O-N 2.95Å; I298-E301 PolarHBondContact O-N 3.19Å; E301-K303 VanDerWaalsContact C-N 3.31Å; E301-K303 PolarHBondContact O-N 3.32Å; E301-L304 WeakPolarHBondContact O-CB 3.19Å; E301-L304 PolarHBondContact O-N 2.99Å; E301-L304 VanDerWaalsContact O-N 3.13Å; E301-F305 HydrophobicContact CG-CD2 4.02Å; E301-F305 HydrophobicContact CG-CE1 4.33Å; E301-F305 HydrophobicContact CG-CE2 3.33Å; E301-F305 HydrophobicContact CG-CZ 3.5Å; E301-F305 VanDerWaalsContact CG-CZ 3.5Å; E301-F305 WeakPolarHBondContact O-CG 3.19Å; E301-F305 PolarHBondContact O-N 3.25Å; E301-F305 WeakPolarHBondContact OE1-CE2 3.48Å; E301-F305 WeakPolarHBondContact OE1-CZ 3.35Å
302	M	92	Very high	90.9	Very high	34 Å²	34	64.9 Å²	64.9	17%	0.167	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-37.4	177.6	-67.4	-61.6	-84.2	0	0	111.9	I298 E299 F305 A306 L329 T331 M334	I298-M302 HydrophobicContact CG2-CG 4.13Å; I298-M302 WeakPolarHBondContact O-CB 3.41Å; I298-M302 WeakPolarHBondContact O-CG 3.18Å; I298-M302 PolarHBondContact O-N 3.16Å; E299-M302 PolarHBondContact O-N 3.43Å; M302-F305 PolarHBondContact O-N 2.93Å; M302-F305 HydrophobicContact SD-CD2 4.43Å; M302-A306 WeakPolarHBondContact O-CB 3.36Å; M302-A306 PolarHBondContact O-N 3.31Å; M302-L329 WeakPolarHBondContact CE-O 3.39Å; M302-T331 HydrophobicContact CE-CG2 3.55Å; M302-M334 HydrophobicContact CB-CE 4.03Å; M302-M334 HydrophobicContact CE-CE 3.69Å; M302-M334 VanDerWaalsContact O-CE 3.23Å; M302-M334 WeakPolarHBondContact O-CE 3.49Å; M302-M334 HydrophobicContact SD-CE 4.27Å
303	K	93.9	Very high	92	Very high	165 Å²	165	58.5 Å²	58.5	72%	0.717	28%	0.282	S	S	*	.	H	α-helix	trans	-65.2	-39.7	174.3	-174.2	-179	179.4	-175.8	0	111.9	E299 A300 E301 K307	E299-K303 WeakPolarHBondContact O-CB 3.46Å; E299-K303 PolarHBondContact O-N 2.93Å; A300-K303 PolarHBondContact O-N 3.5Å; E301-K303 VanDerWaalsContact C-N 3.31Å; E301-K303 PolarHBondContact O-N 3.32Å; K303-K307 PolarHBondContact O-N 2.78Å
304	L	95	Very high	92.8	Very high	29 Å²	29	57.6 Å²	57.6	15%	0.152	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-48	174	173.2	65.7	0	0	0	110.8	F257 L275 V277 A300 E301 A306 K307 Q308	F257-L304 HydrophobicContact CD2-CD2 3.77Å; F257-L304 HydrophobicContact CE2-CD2 3.88Å; L275-L304 HydrophobicContact CB-CD2 4.16Å; V277-L304 HydrophobicContact CG1-CB 4.38Å; V277-L304 HydrophobicContact CG1-CD2 3.85Å; A300-L304 PolarHBondContact O-N 3.28Å; E301-L304 WeakPolarHBondContact O-CB 3.19Å; E301-L304 PolarHBondContact O-N 2.99Å; E301-L304 VanDerWaalsContact O-N 3.13Å; L304-A306 PolarHBondContact O-N 2.95Å; L304-K307 WeakPolarHBondContact O-CB 3.42Å; L304-K307 PolarHBondContact O-N 2.8Å; L304-Q308 HydrophobicContact CD1-CG 4.32Å; L304-Q308 WeakPolarHBondContact O-CG 3.11Å; L304-Q308 PolarHBondContact O-N 3.14Å
305	F	95.9	Very high	93.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-40.6	178.7	-63.4	-24.6	0	0	0	112.7	I234 F257 E301 M302 K307 Q308 C309 L329 I330 M334	I234-F305 HydrophobicContact CD1-CD1 4.09Å; I234-F305 HydrophobicContact CD1-CD2 4.23Å; I234-F305 HydrophobicContact CD1-CE1 4.03Å; I234-F305 HydrophobicContact CD1-CE2 4.16Å; I234-F305 HydrophobicContact CD1-CG 4.21Å; I234-F305 HydrophobicContact CD1-CZ 4.07Å; I234-F305 HydrophobicContact CG1-CD1 4.49Å; I234-F305 HydrophobicContact CG1-CE1 4.05Å; I234-F305 HydrophobicContact CG1-CZ 4.18Å; I234-F305 HydrophobicContact CG2-CE1 4.29Å; I234-F305 HydrophobicContact CG2-CE2 4.04Å; I234-F305 HydrophobicContact CG2-CZ 3.62Å; F257-F305 HydrophobicContact CB-CE1 4.02Å; F257-F305 AromaticContact CD1-CE1 3.7Å; F257-F305 HydrophobicContact CD1-CE1 3.7Å; F257-F305 AromaticContact CD1-CZ 3.46Å; F257-F305 HydrophobicContact CD1-CZ 3.46Å; F257-F305 VanDerWaalsContact CD1-CZ 3.46Å; F257-F305 HydrophobicContact CE1-CE1 4.31Å; F257-F305 AromaticContact CE1-CZ 3.83Å; F257-F305 HydrophobicContact CE1-CZ 3.83Å; F257-F305 AromaticContact CG-CE1 3.81Å; F257-F305 HydrophobicContact CG-CE1 3.81Å; F257-F305 HydrophobicContact CG-CZ 4.07Å; E301-F305 HydrophobicContact CG-CD2 4.02Å; E301-F305 HydrophobicContact CG-CE1 4.33Å; E301-F305 HydrophobicContact CG-CE2 3.33Å; E301-F305 HydrophobicContact CG-CZ 3.5Å; E301-F305 VanDerWaalsContact CG-CZ 3.5Å; E301-F305 WeakPolarHBondContact O-CG 3.19Å; E301-F305 PolarHBondContact O-N 3.25Å; E301-F305 WeakPolarHBondContact OE1-CE2 3.48Å; E301-F305 WeakPolarHBondContact OE1-CZ 3.35Å; M302-F305 PolarHBondContact O-N 2.93Å; M302-F305 HydrophobicContact SD-CD2 4.43Å; F305-K307 VanDerWaalsContact C-N 3.29Å; F305-K307 PolarHBondContact O-N 3.45Å; F305-Q308 PolarHBondContact O-N 3.16Å; F305-C309 WeakPolarHBondContact O-CB 3.33Å; F305-C309 PolarHBondContact O-N 3.09Å; F305-C309 PolarHBondContact O-SG 3.14Å; F305-L329 HydrophobicContact CD2-CB 4.22Å; F305-L329 HydrophobicContact CE2-CB 4.02Å; F305-L329 HydrophobicContact CE2-CD1 4.35Å; F305-L329 HydrophobicContact CE2-CD2 4.5Å; F305-I330 HydrophobicContact CB-CD1 4Å; F305-I330 HydrophobicContact CD2-CD1 4.38Å; F305-I330 HydrophobicContact CG-CD1 4.32Å; F305-M334 HydrophobicContact CB-SD 4.3Å
306	A	95.2	Very high	94.1	Very high	30 Å²	30	47.7 Å²	47.7	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-57	-43.1	173.9	0	0	0	0	0	112	M302 L304 M334	M302-A306 WeakPolarHBondContact O-CB 3.36Å; M302-A306 PolarHBondContact O-N 3.31Å; L304-A306 PolarHBondContact O-N 2.95Å; A306-M334 HydrophobicContact CB-CE 4.08Å; A306-M334 HydrophobicContact CB-CG 4.07Å; A306-M334 HydrophobicContact CB-SD 4.36Å
307	K	95.8	Very high	94.6	Very high	136 Å²	136	41.9 Å²	41.9	59%	0.591	20%	0.203	S	C	*	.	H	α-helix	trans	-65.8	-43.1	176.7	-174.4	-177.4	176.8	-174.2	0	111.7	K303 L304 F305	K303-K307 PolarHBondContact O-N 2.78Å; L304-K307 WeakPolarHBondContact O-CB 3.42Å; L304-K307 PolarHBondContact O-N 2.8Å; F305-K307 VanDerWaalsContact C-N 3.29Å; F305-K307 PolarHBondContact O-N 3.45Å
308	Q	96.9	Very high	94.9	Very high	18 Å²	18	42.5 Å²	42.5	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-67.5	-40.4	179.6	-67.8	-63.8	-32.7	0	0	112.4	L232 R255 L275 L304 F305 Q310 E311 V312	L232-Q308 HydrophobicContact CD2-CB 3.88Å; R255-Q308 VanDerWaalsContact CD-OE1 3.24Å; L275-Q308 HydrophobicContact CD1-CG 3.85Å; L304-Q308 HydrophobicContact CD1-CG 4.32Å; L304-Q308 WeakPolarHBondContact O-CG 3.11Å; L304-Q308 PolarHBondContact O-N 3.14Å; F305-Q308 PolarHBondContact O-N 3.16Å; Q308-Q310 PolarHBondContact O-N 3.33Å; Q308-Q310 VanDerWaalsContact O-N 3.15Å; Q308-E311 PolarHBondContact O-N 3.28Å; Q308-V312 WeakPolarHBondContact O-CG2 3.46Å; Q308-V312 PolarHBondContact O-N 2.9Å
309	C	96.3	Very high	95	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.4	-29.7	-179	-72.3	0	0	0	0	113.3	F305 E311 M334 M338	F305-C309 WeakPolarHBondContact O-CB 3.33Å; F305-C309 PolarHBondContact O-N 3.09Å; F305-C309 PolarHBondContact O-SG 3.14Å; C309-E311 VanDerWaalsContact C-N 3.26Å; C309-E311 PolarHBondContact O-N 3.1Å; C309-M334 HydrophobicContact CB-CB 4.35Å; C309-M338 HydrophobicContact CB-CG 4.1Å; C309-M338 WeakPolarHBondContact O-CG 3.49Å
310	Q	96.1	Very high	94.7	Very high	121 Å²	121	37.7 Å²	37.7	57%	0.565	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.1	176.8	-65.6	174	10.5	0	0	113	Q308	Q308-Q310 PolarHBondContact O-N 3.33Å; Q308-Q310 VanDerWaalsContact O-N 3.15Å
311	E	96.1	Very high	94	Very high	78 Å²	78	39.6 Å²	39.6	36%	0.364	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-35.7	-173.3	-67.3	-170.5	-180	0	0	114.2	K230 R255 Q308 C309 K339	K230-E311 IonicContact NZ-OE2 2.89Å; R255-E311 IonicContact CZ-OE2 2.74Å; R255-E311 IonicContact NH1-OE2 2.75Å; R255-E311 PolarHBondContact NH1-OE2 3.31Å; R255-E311 VanDerWaalsContact NH1-OE2 3.1Å; R255-E311 IonicContact NH2-OE2 3.27Å; Q308-E311 PolarHBondContact O-N 3.28Å; C309-E311 VanDerWaalsContact C-N 3.26Å; C309-E311 PolarHBondContact O-N 3.1Å; E311-K339 PolarHBondContact O-NZ 2.71Å
312	V	97.9	Very high	92.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.			trans	-76.9	151.1	-174	-57.8	0	0	0	0	111.3	K230 L232 Q308 V315 M338	K230-V312 HydrophobicContact CB-CB 4.31Å; K230-V312 HydrophobicContact CB-CG1 4.25Å; L232-V312 HydrophobicContact CB-CB 4.4Å; L232-V312 HydrophobicContact CB-CG1 4.16Å; L232-V312 HydrophobicContact CB-CG2 4.07Å; Q308-V312 WeakPolarHBondContact O-CG2 3.46Å; Q308-V312 PolarHBondContact O-N 2.9Å; V312-V315 HydrophobicContact CG2-CG2 3.75Å; V312-M338 HydrophobicContact CG2-CE 4.3Å
313	D	98.2	Very high	91.6	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.027	24%	0.241	C	C	.	.	S	Bend	trans	-96.6	-25.8	-179.6	-49.1	-71	0	0	0	111.2	F212 R214 K230 K339 S342 V343	F212-D313 HydrophobicContact CE1-CB 4.34Å; F212-D313 HydrophobicContact CE2-CB 3.72Å; F212-D313 HydrophobicContact CZ-CB 3.45Å; F212-D313 VanDerWaalsContact CZ-CB 3.45Å; R214-D313 IonicContact CZ-OD1 3.7Å; R214-D313 IonicContact NH1-OD1 3.85Å; R214-D313 IonicContact NH2-OD1 2.77Å; R214-D313 PolarHBondContact NH2-OD1 2.91Å; K230-D313 PolarHBondContact N-OD2 3.18Å; K230-D313 PolarHBondContact O-N 3.07Å; D313-K339 WeakPolarHBondContact OD1-CD 3.27Å; D313-K339 IonicContact OD1-NZ 2.61Å; D313-K339 PolarHBondContact OD1-NZ 3.45Å; D313-S342 VanDerWaalsContact O-CA 3.26Å; D313-S342 WeakPolarHBondContact O-CA 3.49Å; D313-S342 WeakPolarHBondContact O-CB 3.3Å; D313-S342 PolarHBondContact O-OG 2.83Å; D313-V343 PolarHBondContact O-N 3.4Å
314	I	98.6	Very high	90.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.4	-179	-57.1	174.1	0	0	0	110.2	A208 F212 F216 K230 V231 L232 I316 V343	A208-I314 HydrophobicContact CB-CD1 4.13Å; A208-I314 HydrophobicContact CB-CG2 3.88Å; F212-I314 HydrophobicContact CB-CD1 4.24Å; F212-I314 HydrophobicContact CD1-CD1 4.17Å; F212-I314 HydrophobicContact CD2-CG1 4.43Å; F212-I314 HydrophobicContact CG-CD1 4.1Å; F212-I314 HydrophobicContact CG-CG1 4.43Å; F216-I314 HydrophobicContact CD2-CD1 4.49Å; F216-I314 HydrophobicContact CE1-CD1 4.22Å; F216-I314 HydrophobicContact CE2-CD1 3.36Å; F216-I314 HydrophobicContact CZ-CD1 3.2Å; K230-I314 PolarHBondContact O-N 3.43Å; K230-I314 VanDerWaalsContact O-N 3.13Å; V231-I314 CarbonylContact C-O 3.47Å; V231-I314 WeakPolarHBondContact CA-O 3.18Å; V231-I314 HydrophobicContact CG1-CB 4.27Å; V231-I314 HydrophobicContact CG1-CG2 4.17Å; V231-I314 HydrophobicContact CG2-CB 4.19Å; V231-I314 HydrophobicContact CG2-CD1 4.36Å; L232-I314 PolarHBondContact N-O 3.5Å; I314-I316 HydrophobicContact CG2-CG1 4.09Å; I314-V343 WeakPolarHBondContact CA-O 3.45Å; I314-V343 HydrophobicContact CG1-CB 4.36Å
315	V	98.4	Very high	90.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.4	170.8	-179.6	0	0	0	0	109.2	L232 I234 V312 I330 M338 V343 V344 V345	L232-V315 HydrophobicContact CB-CG2 4.32Å; L232-V315 HydrophobicContact CD2-CG1 4.46Å; L232-V315 HydrophobicContact CD2-CG2 4.37Å; L232-V315 CarbonylContact O-C 3.58Å; L232-V315 WeakPolarHBondContact O-CA 3.48Å; I234-V315 HydrophobicContact CD1-CG1 4.08Å; V312-V315 HydrophobicContact CG2-CG2 3.75Å; V315-I330 HydrophobicContact CG1-CG1 4.44Å; V315-M338 HydrophobicContact CG2-CE 3.68Å; V315-M338 HydrophobicContact CG2-SD 4.3Å; V315-V343 PolarHBondContact N-O 3.09Å; V315-V344 HydrophobicContact CB-CG1 4.14Å; V315-V344 CarbonylContact O-C 3.22Å; V315-V344 WeakPolarHBondContact O-CA 3.31Å; V315-V345 PolarHBondContact O-N 3.47Å
316	I	98.2	Very high	89.7	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	113.4	172.9	-55.9	179.6	0	0	0	107.6	A204 V205 V231 L232 I233 I234 A243 I314 T318 V345 M347	A204-I316 HydrophobicContact CB-CD1 4.47Å; A204-I316 HydrophobicContact CB-CG2 4.24Å; V205-I316 HydrophobicContact CG2-CD1 3.72Å; V231-I316 HydrophobicContact CG1-CD1 4.22Å; V231-I316 HydrophobicContact CG1-CG1 4.42Å; L232-I316 PolarHBondContact O-N 3.33Å; I233-I316 WeakPolarHBondContact CA-O 3.33Å; I233-I316 HydrophobicContact CG1-CB 4.44Å; I234-I316 PolarHBondContact N-O 2.99Å; A243-I316 HydrophobicContact CB-CD1 4.22Å; A243-I316 HydrophobicContact CB-CG2 4.48Å; I314-I316 HydrophobicContact CG2-CG1 4.09Å; I316-T318 HydrophobicContact CG2-CG2 4.22Å; I316-V345 WeakPolarHBondContact CA-O 3.45Å; I316-V345 HydrophobicContact CG1-CB 4.23Å; I316-V345 HydrophobicContact CG1-CG2 4.34Å; I316-V345 HydrophobicContact CG2-CB 4.48Å; I316-M347 HydrophobicContact CG2-CG 4.35Å; I316-M347 HydrophobicContact CG2-SD 3.97Å
317	S	96.6	Very high	89.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.7	-179.9	-164.3	0	0	0	0	111	V345 M347 N354	S317-V345 PolarHBondContact N-O 3.34Å; S317-M347 WeakPolarHBondContact O-CB 3.43Å; S317-M347 PolarHBondContact O-N 3.13Å; S317-N354 WeakPolarHBondContact CB-OD1 3.41Å; S317-N354 WeakPolarHBondContact OG-CB 3.22Å; S317-N354 PolarHBondContact OG-OD1 2.94Å
318	T	94	Very high	89.2	Confident	21 Å²	21	48.9 Å²	48.9	13%	0.129	25%	0.253	C	S	.	.			trans	-130.8	14.4	-177.9	76.5	0	0	0	0	112.8	I234 G235 A239 I316 L320 M347	I234-T318 PolarHBondContact O-N 3.34Å; I234-T318 PolarHBondContact O-OG1 3.31Å; G235-T318 PolarHBondContact O-OG1 3.01Å; A239-T318 HydrophobicContact CB-CG2 4.18Å; I316-T318 HydrophobicContact CG2-CG2 4.22Å; T318-L320 PolarHBondContact O-N 3.25Å; T318-M347 HydrophobicContact CG2-CB 4.27Å; T318-M347 HydrophobicContact CG2-CE 4.42Å; T318-M347 HydrophobicContact CG2-CG 4.25Å; T318-M347 HydrophobicContact CG2-SD 3.57Å; T318-M347 VanDerWaalsContact CG2-SD 3.57Å
319	A	88.3	Confident	89	Confident	21 Å²	21	48.5 Å²	48.5	17%	0.174	25%	0.252	C	S	.	.			trans	-73.2	102.5	-175.1	0	0	0	0	0	110.2	P327 L329 N354	A319-P327 HydrophobicContact CB-CG 4.36Å; A319-L329 HydrophobicContact CB-CD1 3.43Å; A319-L329 VanDerWaalsContact CB-CD1 3.43Å; A319-N354 PolarHBondContact N-OD1 3.22Å; A319-N354 VanDerWaalsContact N-OD1 3.11Å; A319-N354 PolarHBondContact O-ND2 3.42Å; A319-N354 PolarHBondContact O-OD1 3.15Å
320	L	83.3	Confident	89	Confident	92 Å²	92	48.5 Å²	48.5	48%	0.482	25%	0.252	S	S	.	.			trans	-134.7	127.6	-176.7	-176.5	65.3	0	0	0	110.9	T318 A326 A348 A351	T318-L320 PolarHBondContact O-N 3.25Å; L320-A326 HydrophobicContact CD1-CB 4.35Å; L320-A348 HydrophobicContact CD1-CB 4.46Å; L320-A351 HydrophobicContact CD1-CB 3.34Å
321	I	74.6	Confident	89	Confident	65 Å²	65	44.4 Å²	44.4	33%	0.333	24%	0.235	S	C	.	.			trans	-107.5	119.2	173.2	-59	175.2	0	0	0	107.7	G323 R324	I321-G323 PolarHBondContact O-N 3.24Å; I321-R324 HydrophobicContact CB-CB 4.48Å; I321-R324 HydrophobicContact CG2-CB 4.44Å; I321-R324 HydrophobicContact CG2-CG 4.5Å; I321-R324 PolarHBondContact O-N 2.99Å
322	P	67	Low	89	Confident	82 Å²	82	45.1 Å²	45.1	53%	0.532	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	134.1	-180	-27.2	34.8	0	0	0	112.8	Y289 R324	Y289-P322 HydrophobicContact CD1-CG 4.43Å; Y289-P322 HydrophobicContact CE1-CG 3.74Å; P322-R324 PolarHBondContact O-N 3Å
323	G	67.9	Low	88.9	Confident	64 Å²	64	49.4 Å²	49.4	66%	0.66	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	2	176.9	0	0	0	0	0	115.8	I321	I321-G323 PolarHBondContact O-N 3.24Å
324	R	77	Confident	88.9	Confident	155 Å²	155	50 Å²	50	59%	0.585	27%	0.268	S	S	*	.	S	Bend	trans	-122.7	161.8	174.4	-65.8	-168	179.3	-166.3	3.8	111	E292 I321 P322	E292-R324 IonicContact OE2-NH1 2.87Å; E292-R324 PolarHBondContact OE2-NH1 2.95Å; I321-R324 HydrophobicContact CB-CB 4.48Å; I321-R324 HydrophobicContact CG2-CB 4.44Å; I321-R324 HydrophobicContact CG2-CG 4.5Å; I321-R324 PolarHBondContact O-N 2.99Å; P322-R324 PolarHBondContact O-N 3Å
325	R	81.6	Confident	88.7	Confident	188 Å²	188	50 Å²	50	71%	0.709	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-63.8	138.7	168.6	-170.9	178.2	174.8	171.5	-0.7	109.3	A351	R325-A351 CarbonylContact C-O 3.57Å; R325-A351 WeakPolarHBondContact CA-O 3.43Å; R325-A351 WeakPolarHBondContact CG-O 2.99Å
326	A	86.3	Confident	88.6	Confident	3 Å²	3	53.1 Å²	53.1	3%	0.025	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-59.6	138.1	174.2	0	0	0	0	0	110.6	L320 A348 A351	L320-A326 HydrophobicContact CD1-CB 4.35Å; A326-A348 HydrophobicContact CB-CB 3.71Å; A326-A351 HydrophobicContact CB-CB 4.48Å; A326-A351 PolarHBondContact N-O 2.9Å
327	P	87.7	Confident	88.5	Confident	50 Å²	50	55.3 Å²	55.3	33%	0.325	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-70.3	140.1	178.7	28.6	-34.2	0	0	0	110.4	A319 L329 N354	A319-P327 HydrophobicContact CB-CG 4.36Å; P327-L329 HydrophobicContact CB-CD2 4.09Å; P327-L329 HydrophobicContact CB-CG 4.38Å; P327-L329 HydrophobicContact CG-CD1 4.37Å; P327-L329 HydrophobicContact CG-CD2 4.22Å; P327-L329 HydrophobicContact CG-CG 4.2Å; P327-L329 PolarHBondContact O-N 3.4Å; P327-N354 VanDerWaalsContact O-CA 3.31Å; P327-N354 WeakPolarHBondContact O-CA 3.35Å; P327-N354 PolarHBondContact O-ND2 3.09Å
328	I	91.9	Very high	88.6	Confident	62 Å²	62	56 Å²	56	32%	0.318	30%	0.301	S	S	.	.			trans	-76.9	109.9	172	-58.6	-62.9	0	0	0	108.3	E356	I328-E356 HydrophobicContact CG2-CB 4.13Å
329	L	92.2	Very high	88.7	Confident	11 Å²	11	58.6 Å²	58.6	6%	0.058	31%	0.311	C	S	.	.			trans	-109.5	-22.8	-177.7	-59.3	-179.1	0	0	0	112.3	I234 M302 F305 A319 P327 N354	I234-L329 HydrophobicContact CG2-CD1 3.68Å; M302-L329 WeakPolarHBondContact CE-O 3.39Å; F305-L329 HydrophobicContact CD2-CB 4.22Å; F305-L329 HydrophobicContact CE2-CB 4.02Å; F305-L329 HydrophobicContact CE2-CD1 4.35Å; F305-L329 HydrophobicContact CE2-CD2 4.5Å; A319-L329 HydrophobicContact CB-CD1 3.43Å; A319-L329 VanDerWaalsContact CB-CD1 3.43Å; P327-L329 HydrophobicContact CB-CD2 4.09Å; P327-L329 HydrophobicContact CB-CG 4.38Å; P327-L329 HydrophobicContact CG-CD1 4.37Å; P327-L329 HydrophobicContact CG-CD2 4.22Å; P327-L329 HydrophobicContact CG-CG 4.2Å; P327-L329 PolarHBondContact O-N 3.4Å; L329-N354 PolarHBondContact N-O 2.81Å
330	I	96.4	Very high	89.1	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-121.1	106.9	177.8	-52.9	-65.3	0	0	0	108.1	I234 F305 V315 M334 V335 N354 I355 E356	I234-I330 HydrophobicContact CD1-CD1 3.65Å; I234-I330 HydrophobicContact CD1-CG1 4.1Å; F305-I330 HydrophobicContact CB-CD1 4Å; F305-I330 HydrophobicContact CD2-CD1 4.38Å; F305-I330 HydrophobicContact CG-CD1 4.32Å; V315-I330 HydrophobicContact CG1-CG1 4.44Å; I330-M334 HydrophobicContact CD1-SD 4.48Å; I330-M334 HydrophobicContact CG2-CB 4.09Å; I330-V335 HydrophobicContact CG2-CG2 3.6Å; I330-N354 PolarHBondContact N-O 2.8Å; I330-N354 VanDerWaalsContact N-O 3.11Å; I330-I355 HydrophobicContact CB-CB 4.34Å; I330-I355 HydrophobicContact CB-CG1 4.04Å; I330-I355 HydrophobicContact CB-CG2 4.14Å; I330-I355 HydrophobicContact CG1-CG1 4.29Å; I330-I355 HydrophobicContact CG2-CG2 4.11Å; I330-I355 WeakPolarHBondContact O-CA 3.42Å; I330-E356 PolarHBondContact O-N 3.24Å
331	T	96.6	Very high	89.6	Confident	35 Å²	35	61.2 Å²	61.2	22%	0.215	33%	0.33	C	S	.	.			trans	-82.6	161.2	-179	61.4	0	0	0	0	111.4	M302 M334 V335 E356	M302-T331 HydrophobicContact CE-CG2 3.55Å; T331-M334 HydrophobicContact CG2-CE 4.38Å; T331-M334 WeakPolarHBondContact O-CA 3.38Å; T331-M334 WeakPolarHBondContact O-CB 3.28Å; T331-M334 PolarHBondContact O-N 3.17Å; T331-M334 WeakPolarHBondContact OG1-CG 3.45Å; T331-V335 PolarHBondContact O-N 3.02Å; T331-V335 VanDerWaalsContact O-N 3.11Å; T331-E356 WeakPolarHBondContact CA-OE2 3.31Å
332	K	96.1	Very high	90.8	Very high	92 Å²	92	58.1 Å²	58.1	40%	0.4	31%	0.314	S	S	.	.	H	α-helix	trans	-51.8	-45.2	177.4	177.7	179.3	-178.8	179.5	0	113	M334 V335 E336 E356 T357	K332-M334 VanDerWaalsContact C-N 3.29Å; K332-M334 PolarHBondContact O-N 3.32Å; K332-V335 PolarHBondContact O-N 3Å; K332-E336 WeakPolarHBondContact CE-OE1 3.41Å; K332-E336 HydrophobicContact CG-CG 4.32Å; K332-E336 WeakPolarHBondContact O-CB 3.47Å; K332-E336 VanDerWaalsContact O-CG 3.28Å; K332-E336 WeakPolarHBondContact O-CG 3.5Å; K332-E336 PolarHBondContact O-N 2.73Å; K332-E356 WeakPolarHBondContact CB-OE2 3.45Å; K332-E356 PolarHBondContact N-OE2 3.49Å; K332-T357 HydrophobicContact CB-CG2 3.98Å; K332-T357 HydrophobicContact CD-CG2 4.4Å; K332-T357 HydrophobicContact CG-CG2 3.91Å
333	P	96.3	Very high	92.3	Very high	91 Å²	91	54.2 Å²	54.2	59%	0.591	29%	0.289	S	S	*	.	H	α-helix	trans	-60.9	-33	174.7	-24.9	35.3	0	0	0	114.3	S337	P333-S337 WeakPolarHBondContact O-CB 3.27Å; P333-S337 PolarHBondContact O-N 3.28Å; P333-S337 VanDerWaalsContact O-N 3.13Å
334	M	97.1	Very high	93.7	Very high	16 Å²	16	51.2 Å²	51.2	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-68.3	-45.5	177	-63.1	176.7	-169.4	0	0	111	M302 F305 A306 C309 I330 T331 K332 E336 S337 M338	M302-M334 HydrophobicContact CB-CE 4.03Å; M302-M334 HydrophobicContact CE-CE 3.69Å; M302-M334 VanDerWaalsContact O-CE 3.23Å; M302-M334 WeakPolarHBondContact O-CE 3.49Å; M302-M334 HydrophobicContact SD-CE 4.27Å; F305-M334 HydrophobicContact CB-SD 4.3Å; A306-M334 HydrophobicContact CB-CE 4.08Å; A306-M334 HydrophobicContact CB-CG 4.07Å; A306-M334 HydrophobicContact CB-SD 4.36Å; C309-M334 HydrophobicContact CB-CB 4.35Å; I330-M334 HydrophobicContact CD1-SD 4.48Å; I330-M334 HydrophobicContact CG2-CB 4.09Å; T331-M334 HydrophobicContact CG2-CE 4.38Å; T331-M334 WeakPolarHBondContact O-CA 3.38Å; T331-M334 WeakPolarHBondContact O-CB 3.28Å; T331-M334 PolarHBondContact O-N 3.17Å; T331-M334 WeakPolarHBondContact OG1-CG 3.45Å; K332-M334 VanDerWaalsContact C-N 3.29Å; K332-M334 PolarHBondContact O-N 3.32Å; M334-E336 PolarHBondContact O-N 3.01Å; M334-S337 PolarHBondContact O-N 3.32Å; M334-S337 PolarHBondContact O-OG 2.8Å; M334-M338 PolarHBondContact O-N 3Å
335	V	96.1	Very high	94.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-46.8	175.5	179	0	0	0	0	110.9	I330 T331 K332 S337 M338 I355 V369 H371	I330-V335 HydrophobicContact CG2-CG2 3.6Å; T331-V335 PolarHBondContact O-N 3.02Å; T331-V335 VanDerWaalsContact O-N 3.11Å; K332-V335 PolarHBondContact O-N 3Å; V335-S337 PolarHBondContact O-N 2.89Å; V335-M338 VanDerWaalsContact O-CB 3.29Å; V335-M338 WeakPolarHBondContact O-CB 3.34Å; V335-M338 WeakPolarHBondContact O-CG 3.48Å; V335-M338 PolarHBondContact O-N 2.86Å; V335-I355 HydrophobicContact CG2-CG2 3.68Å; V335-V369 HydrophobicContact CG1-CB 4.12Å; V335-V369 HydrophobicContact CG1-CG1 4.07Å; V335-V369 HydrophobicContact CG1-CG2 4.28Å; V335-H371 VanDerWaalsContact CG1-CE1 3.48Å; V335-H371 WeakPolarHBondContact CG1-CE1 3.34Å
336	E	95.8	Very high	95.4	Very high	66 Å²	66	35 Å²	35	31%	0.308	20%	0.197	S	C	.	.	H	α-helix	trans	-68.3	-14.7	-179.4	-65.6	-174.9	175.4	0	0	113.4	K332 M334 H366 K367	K332-E336 WeakPolarHBondContact CE-OE1 3.41Å; K332-E336 HydrophobicContact CG-CG 4.32Å; K332-E336 WeakPolarHBondContact O-CB 3.47Å; K332-E336 VanDerWaalsContact O-CG 3.28Å; K332-E336 WeakPolarHBondContact O-CG 3.5Å; K332-E336 PolarHBondContact O-N 2.73Å; M334-E336 PolarHBondContact O-N 3.01Å; E336-H366 IonicContact OE1-CD2 4Å; E336-H366 IonicContact OE1-CE1 3.53Å; E336-H366 IonicContact OE1-NE2 2.84Å; E336-H366 PolarHBondContact OE1-NE2 3.22Å; E336-K367 HydrophobicContact CG-CD 3.91Å; E336-K367 VanDerWaalsContact OE1-CE 3.22Å; E336-K367 WeakPolarHBondContact OE1-CE 3.41Å; E336-K367 IonicContact OE1-NZ 3.14Å; E336-K367 PolarHBondContact OE1-NZ 3.46Å; E336-K367 VanDerWaalsContact OE1-NZ 3.14Å; E336-K367 IonicContact OE2-NZ 2.73Å; E336-K367 PolarHBondContact OE2-NZ 2.81Å
337	S	96.9	Very high	95.8	Very high	47 Å²	47	36.7 Å²	36.7	33%	0.329	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-10.2	172.9	78.4	0	0	0	0	114	P333 M334 V335	P333-S337 WeakPolarHBondContact O-CB 3.27Å; P333-S337 PolarHBondContact O-N 3.28Å; P333-S337 VanDerWaalsContact O-N 3.13Å; M334-S337 PolarHBondContact O-N 3.32Å; M334-S337 PolarHBondContact O-OG 2.8Å; V335-S337 PolarHBondContact O-N 2.89Å
338	M	97.6	Very high	96.1	Very high	14 Å²	14	34.4 Å²	34.4	7%	0.069	19%	0.19	C	C	.	.	S	Bend	trans	-70.1	159.4	176.6	-59.6	-173.3	73.5	0	0	110.9	C309 V312 V315 M334 V335 V344 V369	C309-M338 HydrophobicContact CB-CG 4.1Å; C309-M338 WeakPolarHBondContact O-CG 3.49Å; V312-M338 HydrophobicContact CG2-CE 4.3Å; V315-M338 HydrophobicContact CG2-CE 3.68Å; V315-M338 HydrophobicContact CG2-SD 4.3Å; M334-M338 PolarHBondContact O-N 3Å; V335-M338 VanDerWaalsContact O-CB 3.29Å; V335-M338 WeakPolarHBondContact O-CB 3.34Å; V335-M338 WeakPolarHBondContact O-CG 3.48Å; V335-M338 PolarHBondContact O-N 2.86Å; M338-V344 HydrophobicContact CE-CG1 4.12Å; M338-V344 HydrophobicContact SD-CG1 3.6Å; M338-V344 VanDerWaalsContact SD-CG1 3.6Å; M338-V369 HydrophobicContact CB-CG2 4.08Å; M338-V369 HydrophobicContact SD-CG1 4.39Å
339	K	96.4	Very high	96	Very high	77 Å²	77	31.6 Å²	31.6	34%	0.335	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-62.7	147	174	-60.8	165.1	-173.2	153	0	111	E311 D313 S342	E311-K339 PolarHBondContact O-NZ 2.71Å; D313-K339 WeakPolarHBondContact OD1-CD 3.27Å; D313-K339 IonicContact OD1-NZ 2.61Å; D313-K339 PolarHBondContact OD1-NZ 3.45Å; K339-S342 WeakPolarHBondContact O-CB 3.48Å; K339-S342 PolarHBondContact O-N 3.43Å; K339-S342 VanDerWaalsContact O-N 3.12Å; K339-S342 PolarHBondContact O-OG 2.96Å
340	D	95.9	Very high	95.8	Very high	135 Å²	135	37 Å²	37	72%	0.722	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	137.1	169.9	-172.2	29.8	0	0	0	110.7	S342 G368	D340-S342 VanDerWaalsContact C-N 3.31Å; D340-G368 WeakPolarHBondContact OD1-CA 2.83Å
341	G	94.8	Very high	95.2	Very high	33 Å²	33	38.6 Å²	38.6	34%	0.34	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	5.9	-172.7	0	0	0	0	0	115.5	F212 G368	F212-G341 WeakPolarHBondContact CD2-O 3.46Å; G341-G368 WeakPolarHBondContact CA-O 3.41Å; G341-G368 PolarHBondContact N-O 3.29Å
342	S	98.3	Very high	94.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.219	C	C	.	.			trans	-65.5	158	169.1	-74.8	0	0	0	0	112	D313 K339 D340 V369 T370	D313-S342 VanDerWaalsContact O-CA 3.26Å; D313-S342 WeakPolarHBondContact O-CA 3.49Å; D313-S342 WeakPolarHBondContact O-CB 3.3Å; D313-S342 PolarHBondContact O-OG 2.83Å; K339-S342 WeakPolarHBondContact O-CB 3.48Å; K339-S342 PolarHBondContact O-N 3.43Å; K339-S342 VanDerWaalsContact O-N 3.12Å; K339-S342 PolarHBondContact O-OG 2.96Å; D340-S342 VanDerWaalsContact C-N 3.31Å; S342-V369 WeakPolarHBondContact O-CA 3.46Å; S342-V369 WeakPolarHBondContact O-CG1 3.48Å; S342-T370 PolarHBondContact O-N 3.19Å
343	V	98.5	Very high	94.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.8	179.6	-176.6	0	0	0	0	110.6	A208 N211 F212 D313 I314 V315 V345 T370 I372	A208-V343 HydrophobicContact CB-CG1 4.29Å; N211-V343 HydrophobicContact CB-CG2 4.24Å; F212-V343 HydrophobicContact CB-CG2 3.9Å; F212-V343 HydrophobicContact CD2-CG2 4.18Å; D313-V343 PolarHBondContact O-N 3.4Å; I314-V343 WeakPolarHBondContact CA-O 3.45Å; I314-V343 HydrophobicContact CG1-CB 4.36Å; V315-V343 PolarHBondContact N-O 3.09Å; V343-V345 HydrophobicContact CG1-CG2 4.19Å; V343-T370 WeakPolarHBondContact CA-O 3.48Å; V343-I372 HydrophobicContact CG1-CD1 3.84Å; V343-I372 HydrophobicContact CG1-CG1 4.12Å
344	V	98	Very high	94.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132	170.6	-57.8	0	0	0	0	110.2	V315 M338 I355 V369 T370 H371 I372	V315-V344 HydrophobicContact CB-CG1 4.14Å; V315-V344 CarbonylContact O-C 3.22Å; V315-V344 WeakPolarHBondContact O-CA 3.31Å; M338-V344 HydrophobicContact CE-CG1 4.12Å; M338-V344 HydrophobicContact SD-CG1 3.6Å; M338-V344 VanDerWaalsContact SD-CG1 3.6Å; V344-I355 HydrophobicContact CB-CD1 3.61Å; V344-I355 HydrophobicContact CG1-CD1 4.4Å; V344-I355 HydrophobicContact CG2-CD1 3.84Å; V344-V369 HydrophobicContact CG1-CG1 3.9Å; V344-V369 HydrophobicContact CG2-CG1 4.25Å; V344-T370 PolarHBondContact N-O 3.5Å; V344-H371 HydrophobicContact CG2-CB 4.07Å; V344-H371 WeakPolarHBondContact CG2-CD2 3.38Å; V344-I372 PolarHBondContact O-N 2.95Å
345	V	98.1	Very high	94.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.3	179	-169.2	0	0	0	0	108.8	A204 A208 V315 I316 S317 V343 M347 I372	A204-V345 HydrophobicContact CB-CG1 3.77Å; A208-V345 HydrophobicContact CB-CG2 3.95Å; V315-V345 PolarHBondContact O-N 3.47Å; I316-V345 WeakPolarHBondContact CA-O 3.45Å; I316-V345 HydrophobicContact CG1-CB 4.23Å; I316-V345 HydrophobicContact CG1-CG2 4.34Å; I316-V345 HydrophobicContact CG2-CB 4.48Å; S317-V345 PolarHBondContact N-O 3.34Å; V343-V345 HydrophobicContact CG1-CG2 4.19Å; V345-M347 HydrophobicContact CG1-CG 4.42Å; V345-I372 HydrophobicContact CB-CB 4.45Å; V345-I372 HydrophobicContact CG1-CB 4.18Å; V345-I372 HydrophobicContact CG1-CG2 4.24Å; V345-I372 HydrophobicContact CG2-CB 4.19Å; V345-I372 HydrophobicContact CG2-CD1 4.1Å; V345-I372 HydrophobicContact CG2-CG1 4.41Å
346	D	97.3	Very high	94.2	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.011	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	95.6	-178.1	-168.1	-15.4	0	0	0	109.8	A348 A349 G353 N354 I355 T358 I372	D346-A348 PolarHBondContact O-N 2.98Å; D346-A348 PolarHBondContact OD1-N 2.95Å; D346-A348 VanDerWaalsContact OD1-N 3.1Å; D346-A349 WeakPolarHBondContact O-CB 3.46Å; D346-A349 PolarHBondContact O-N 3.47Å; D346-A349 PolarHBondContact OD1-N 2.87Å; D346-G353 WeakPolarHBondContact OD2-CA 3.43Å; D346-N354 VanDerWaalsContact CG-N 3.34Å; D346-N354 PolarHBondContact OD1-N 3.23Å; D346-N354 VanDerWaalsContact OD1-N 3.08Å; D346-N354 PolarHBondContact OD2-N 3.27Å; D346-I355 HydrophobicContact CB-CD1 4.12Å; D346-I355 HydrophobicContact CB-CG1 4.21Å; D346-I355 PolarHBondContact OD2-N 3.37Å; D346-T358 HydrophobicContact CB-CG2 4.01Å; D346-T358 WeakPolarHBondContact CB-OG1 3.37Å; D346-T358 WeakPolarHBondContact OD2-CB 3.3Å; D346-T358 PolarHBondContact OD2-OG1 3.46Å; D346-I372 PolarHBondContact N-O 3.22Å
347	M	94.3	Very high	94.2	Very high	38 Å²	38	32.3 Å²	32.3	19%	0.187	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.5	-179.7	-61.5	-173.8	50.7	0	0	112.7	A200 A204 A239 I316 S317 T318 V345 L377	A200-M347 VanDerWaalsContact C-CE 3.48Å; A200-M347 HydrophobicContact CB-CE 3.37Å; A204-M347 HydrophobicContact CB-CG 4.28Å; A204-M347 HydrophobicContact CB-SD 3.81Å; A239-M347 HydrophobicContact CB-CE 3.52Å; A239-M347 HydrophobicContact CB-SD 4.31Å; I316-M347 HydrophobicContact CG2-CG 4.35Å; I316-M347 HydrophobicContact CG2-SD 3.97Å; S317-M347 WeakPolarHBondContact O-CB 3.43Å; S317-M347 PolarHBondContact O-N 3.13Å; T318-M347 HydrophobicContact CG2-CB 4.27Å; T318-M347 HydrophobicContact CG2-CE 4.42Å; T318-M347 HydrophobicContact CG2-CG 4.25Å; T318-M347 HydrophobicContact CG2-SD 3.57Å; T318-M347 VanDerWaalsContact CG2-SD 3.57Å; V345-M347 HydrophobicContact CG1-CG 4.42Å; M347-L377 HydrophobicContact CE-CD1 4.4Å; M347-L377 HydrophobicContact CG-CD1 3.92Å
348	A	92.8	Very high	94.1	Very high	2 Å²	2	31 Å²	31	2%	0.017	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	8.8	177.8	0	0	0	0	0	112.8	L320 A326 D346 E350 A351 G353 N354	L320-A348 HydrophobicContact CD1-CB 4.46Å; A326-A348 HydrophobicContact CB-CB 3.71Å; D346-A348 PolarHBondContact O-N 2.98Å; D346-A348 PolarHBondContact OD1-N 2.95Å; D346-A348 VanDerWaalsContact OD1-N 3.1Å; A348-E350 PolarHBondContact O-N 3.25Å; A348-E350 VanDerWaalsContact O-N 3.14Å; A348-A351 PolarHBondContact O-N 3.47Å; A348-G353 WeakPolarHBondContact O-CA 3.5Å; A348-G353 PolarHBondContact O-N 3.03Å; A348-N354 VanDerWaalsContact CB-OD1 3.32Å; A348-N354 WeakPolarHBondContact CB-OD1 3.45Å
349	A	91.6	Very high	94	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.017	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-53.9	-34.2	-176.5	0	0	0	0	0	113.9	D346 A351 G352 T358 P360 G373 T375	D346-A349 WeakPolarHBondContact O-CB 3.46Å; D346-A349 PolarHBondContact O-N 3.47Å; D346-A349 PolarHBondContact OD1-N 2.87Å; A349-A351 VanDerWaalsContact C-N 3.25Å; A349-A351 PolarHBondContact O-N 2.76Å; A349-G352 PolarHBondContact O-N 2.71Å; A349-T358 HydrophobicContact CB-CG2 3.99Å; A349-P360 HydrophobicContact CB-CB 4.36Å; A349-G373 VanDerWaalsContact CB-O 3.31Å; A349-G373 WeakPolarHBondContact CB-O 3.42Å; A349-T375 HydrophobicContact CB-CG2 4.08Å
350	E	86.1	Confident	93.8	Very high	126 Å²	126	33 Å²	33	59%	0.589	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-64.2	-30.3	178.7	-172	173.4	-157.6	0	0	112.5	R130 A348 T375	R130-E350 IonicContact NH2-OE1 2.73Å; A348-E350 PolarHBondContact O-N 3.25Å; A348-E350 VanDerWaalsContact O-N 3.14Å; E350-T375 HydrophobicContact CB-CG2 3.99Å
351	A	84.2	Confident	93.5	Very high	32 Å²	32	28.1 Å²	28.1	26%	0.264	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-103.1	24	179.1	0	0	0	0	0	112.9	L320 R325 A326 A348 A349	L320-A351 HydrophobicContact CD1-CB 3.34Å; R325-A351 CarbonylContact C-O 3.57Å; R325-A351 WeakPolarHBondContact CA-O 3.43Å; R325-A351 WeakPolarHBondContact CG-O 2.99Å; A326-A351 HydrophobicContact CB-CB 4.48Å; A326-A351 PolarHBondContact N-O 2.9Å; A348-A351 PolarHBondContact O-N 3.47Å; A349-A351 VanDerWaalsContact C-N 3.25Å; A349-A351 PolarHBondContact O-N 2.76Å
352	G	85.1	Confident	93.4	Very high	33 Å²	33	31.9 Å²	31.9	34%	0.34	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	103	-7.4	176.3	0	0	0	0	0	115.8	A349	A349-G352 PolarHBondContact O-N 2.71Å
353	G	91.3	Very high	93.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.			trans	81.7	150.8	173.8	0	0	0	0	0	115.2	D346 A348	D346-G353 WeakPolarHBondContact OD2-CA 3.43Å; A348-G353 WeakPolarHBondContact O-CA 3.5Å; A348-G353 PolarHBondContact O-N 3.03Å
354	N	94.8	Very high	93.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-90.9	-15.8	171	-63.8	135.7	0	0	0	113.6	S317 A319 P327 L329 I330 D346 A348	S317-N354 WeakPolarHBondContact CB-OD1 3.41Å; S317-N354 WeakPolarHBondContact OG-CB 3.22Å; S317-N354 PolarHBondContact OG-OD1 2.94Å; A319-N354 PolarHBondContact N-OD1 3.22Å; A319-N354 VanDerWaalsContact N-OD1 3.11Å; A319-N354 PolarHBondContact O-ND2 3.42Å; A319-N354 PolarHBondContact O-OD1 3.15Å; P327-N354 VanDerWaalsContact O-CA 3.31Å; P327-N354 WeakPolarHBondContact O-CA 3.35Å; P327-N354 PolarHBondContact O-ND2 3.09Å; L329-N354 PolarHBondContact N-O 2.81Å; I330-N354 PolarHBondContact N-O 2.8Å; I330-N354 VanDerWaalsContact N-O 3.11Å; D346-N354 VanDerWaalsContact CG-N 3.34Å; D346-N354 PolarHBondContact OD1-N 3.23Å; D346-N354 VanDerWaalsContact OD1-N 3.08Å; D346-N354 PolarHBondContact OD2-N 3.27Å; A348-N354 VanDerWaalsContact CB-OD1 3.32Å; A348-N354 WeakPolarHBondContact CB-OD1 3.45Å
355	I	95.9	Very high	93	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.015	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-110.9	124.6	-175.2	-47.3	-176.7	0	0	0	108.5	I330 V335 V344 D346 T357 T358	I330-I355 HydrophobicContact CB-CB 4.34Å; I330-I355 HydrophobicContact CB-CG1 4.04Å; I330-I355 HydrophobicContact CB-CG2 4.14Å; I330-I355 HydrophobicContact CG1-CG1 4.29Å; I330-I355 HydrophobicContact CG2-CG2 4.11Å; I330-I355 WeakPolarHBondContact O-CA 3.42Å; V335-I355 HydrophobicContact CG2-CG2 3.68Å; V344-I355 HydrophobicContact CB-CD1 3.61Å; V344-I355 HydrophobicContact CG1-CD1 4.4Å; V344-I355 HydrophobicContact CG2-CD1 3.84Å; D346-I355 HydrophobicContact CB-CD1 4.12Å; D346-I355 HydrophobicContact CB-CG1 4.21Å; D346-I355 PolarHBondContact OD2-N 3.37Å; I355-T357 PolarHBondContact O-N 2.89Å; I355-T357 VanDerWaalsContact O-N 3.11Å; I355-T358 WeakPolarHBondContact CB-OG1 3.46Å; I355-T358 WeakPolarHBondContact O-CB 3.42Å; I355-T358 PolarHBondContact O-N 3.23Å; I355-T358 PolarHBondContact O-OG1 3.36Å
356	E	95.3	Very high	92.8	Very high	109 Å²	109	42.9 Å²	42.9	51%	0.509	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.2	-172.4	-170.4	-178.9	-179.5	0	0	113.5	I328 I330 T331 K332	I328-E356 HydrophobicContact CG2-CB 4.13Å; I330-E356 PolarHBondContact O-N 3.24Å; T331-E356 WeakPolarHBondContact CA-OE2 3.31Å; K332-E356 WeakPolarHBondContact CB-OE2 3.45Å; K332-E356 PolarHBondContact N-OE2 3.49Å
357	T	95.2	Very high	92.6	Very high	23 Å²	23	49.8 Å²	49.8	14%	0.141	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	4.4	-178.7	45.9	0	0	0	0	113.9	K332 I355 H371	K332-T357 HydrophobicContact CB-CG2 3.98Å; K332-T357 HydrophobicContact CD-CG2 4.4Å; K332-T357 HydrophobicContact CG-CG2 3.91Å; I355-T357 PolarHBondContact O-N 2.89Å; I355-T357 VanDerWaalsContact O-N 3.11Å; T357-H371 PolarHBondContact OG1-CD2 3.48Å; T357-H371 PolarHBondContact OG1-NE2 3.25Å
358	T	94.9	Very high	92.5	Very high	21 Å²	21	49.1 Å²	49.1	13%	0.129	28%	0.281	C	S	.	.			trans	-66.5	132.6	175.7	-70.5	0	0	0	0	111.1	D346 A349 I355	D346-T358 HydrophobicContact CB-CG2 4.01Å; D346-T358 WeakPolarHBondContact CB-OG1 3.37Å; D346-T358 WeakPolarHBondContact OD2-CB 3.3Å; D346-T358 PolarHBondContact OD2-OG1 3.46Å; A349-T358 HydrophobicContact CB-CG2 3.99Å; I355-T358 WeakPolarHBondContact CB-OG1 3.46Å; I355-T358 WeakPolarHBondContact O-CB 3.42Å; I355-T358 PolarHBondContact O-N 3.23Å; I355-T358 PolarHBondContact O-OG1 3.36Å
359	V	94.5	Very high	92.7	Very high	59 Å²	59	49.1 Å²	49.1	36%	0.358	28%	0.281	S	S	.	.			trans	-105.3	107.5	166	-176.7	0	0	0	0	107.9	G361 E362	V359-G361 PolarHBondContact O-N 3.25Å; V359-E362 HydrophobicContact CB-CB 4.28Å; V359-E362 HydrophobicContact CG1-CB 4.08Å; V359-E362 HydrophobicContact CG1-CG 4.07Å; V359-E362 PolarHBondContact O-N 2.8Å
360	P	92.7	Very high	93	Very high	72 Å²	72	50 Å²	50	47%	0.468	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	133.3	-176.8	-26.6	35.5	0	0	0	112.7	A349 E362 T375	A349-P360 HydrophobicContact CB-CB 4.36Å; P360-E362 VanDerWaalsContact C-N 3.3Å; P360-E362 PolarHBondContact O-N 2.67Å; P360-T375 HydrophobicContact CB-CG2 4.15Å
361	G	90.3	Very high	93.6	Very high	33 Å²	33	44 Å²	44	34%	0.34	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-10.3	-179.6	0	0	0	0	0	114.9	V359 G373 Y374	V359-G361 PolarHBondContact O-N 3.25Å; G361-G373 PolarHBondContact N-O 3.03Å; G361-Y374 WeakPolarHBondContact O-CD1 3.22Å
362	E	92.5	Very high	94.2	Very high	113 Å²	113	42.6 Å²	42.6	53%	0.528	25%	0.247	S	C	.	.			trans	-113.7	156.6	-173.3	-64.1	-172.7	-174.2	0	0	113.2	V359 P360 G373	V359-E362 HydrophobicContact CB-CB 4.28Å; V359-E362 HydrophobicContact CG1-CB 4.08Å; V359-E362 HydrophobicContact CG1-CG 4.07Å; V359-E362 PolarHBondContact O-N 2.8Å; P360-E362 VanDerWaalsContact C-N 3.3Å; P360-E362 PolarHBondContact O-N 2.67Å; E362-G373 PolarHBondContact O-N 2.6Å
363	L	95.3	Very high	94.7	Very high	65 Å²	65	41.1 Å²	41.1	34%	0.34	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112	162.3	-176.6	151.4	0	0	0	107	T370 H371 I372 Y374	L363-T370 HydrophobicContact CD1-CG2 4.44Å; L363-T370 HydrophobicContact CD2-CG2 3.97Å; L363-T370 HydrophobicContact CG-CG2 4.11Å; L363-H371 VanDerWaalsContact CA-O 3.31Å; L363-H371 WeakPolarHBondContact CA-O 3.47Å; L363-I372 HydrophobicContact CD1-CG1 4.27Å; L363-Y374 HydrophobicContact CB-CE1 4.14Å; L363-Y374 WeakPolarHBondContact CB-OH 3.49Å; L363-Y374 HydrophobicContact CD1-CE2 4.44Å
364	S	95.7	Very high	94.9	Very high	26 Å²	26	43 Å²	43	18%	0.182	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	161.7	-175	65.9	0	0	0	0	110.7	H371	S364-H371 PolarHBondContact N-O 3.38Å; S364-H371 PolarHBondContact O-N 3.35Å
365	V	95.5	Very high	94.7	Very high	97 Å²	97	46 Å²	46	59%	0.588	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.9	175.7	179.9	0	0	0	0	108
366	H	94	Very high	94.6	Very high	45 Å²	45	47.2 Å²	47.2	21%	0.208	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112.7	176.2	-178.8	72.2	0	0	0	109	E336 G368 V369	E336-H366 IonicContact OE1-CD2 4Å; E336-H366 IonicContact OE1-CE1 3.53Å; E336-H366 IonicContact OE1-NE2 2.84Å; E336-H366 PolarHBondContact OE1-NE2 3.22Å; H366-G368 PolarHBondContact O-N 3.34Å; H366-G368 VanDerWaalsContact O-N 3.15Å; H366-V369 PolarHBondContact N-O 3.05Å; H366-V369 PolarHBondContact O-N 3.37Å
367	K	92.1	Very high	94.5	Very high	147 Å²	147	42.3 Å²	42.3	64%	0.639	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.4	45.6	-178.6	-62.7	-165.6	-175.9	173.8	0	114.2	E336 V369	E336-K367 HydrophobicContact CG-CD 3.91Å; E336-K367 VanDerWaalsContact OE1-CE 3.22Å; E336-K367 WeakPolarHBondContact OE1-CE 3.41Å; E336-K367 IonicContact OE1-NZ 3.14Å; E336-K367 PolarHBondContact OE1-NZ 3.46Å; E336-K367 VanDerWaalsContact OE1-NZ 3.14Å; E336-K367 IonicContact OE2-NZ 2.73Å; E336-K367 PolarHBondContact OE2-NZ 2.81Å; K367-V369 VanDerWaalsContact C-N 3.34Å; K367-V369 PolarHBondContact O-N 3.36Å
368	G	91.8	Very high	94.5	Very high	23 Å²	23	42.2 Å²	42.2	24%	0.237	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-9.8	176.7	0	0	0	0	0	115.9	D340 G341 H366	D340-G368 WeakPolarHBondContact OD1-CA 2.83Å; G341-G368 WeakPolarHBondContact CA-O 3.41Å; G341-G368 PolarHBondContact N-O 3.29Å; H366-G368 PolarHBondContact O-N 3.34Å; H366-G368 VanDerWaalsContact O-N 3.15Å
369	V	97.6	Very high	94.6	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.8	174.8	-177.6	0	0	0	0	110.1	V335 M338 S342 V344 H366 K367 H371	V335-V369 HydrophobicContact CG1-CB 4.12Å; V335-V369 HydrophobicContact CG1-CG1 4.07Å; V335-V369 HydrophobicContact CG1-CG2 4.28Å; M338-V369 HydrophobicContact CB-CG2 4.08Å; M338-V369 HydrophobicContact SD-CG1 4.39Å; S342-V369 WeakPolarHBondContact O-CA 3.46Å; S342-V369 WeakPolarHBondContact O-CG1 3.48Å; V344-V369 HydrophobicContact CG1-CG1 3.9Å; V344-V369 HydrophobicContact CG2-CG1 4.25Å; H366-V369 PolarHBondContact N-O 3.05Å; H366-V369 PolarHBondContact O-N 3.37Å; K367-V369 VanDerWaalsContact C-N 3.34Å; K367-V369 PolarHBondContact O-N 3.36Å; V369-H371 PolarHBondContact O-ND1 2.94Å
370	T	98.1	Very high	94.6	Very high	21 Å²	21	41.7 Å²	41.7	13%	0.129	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	124.3	177.5	-55.8	0	0	0	0	110.5	N211 S342 V343 V344 L363	N211-T370 HydrophobicContact CB-CG2 4.25Å; S342-T370 PolarHBondContact O-N 3.19Å; V343-T370 WeakPolarHBondContact CA-O 3.48Å; V344-T370 PolarHBondContact N-O 3.5Å; L363-T370 HydrophobicContact CD1-CG2 4.44Å; L363-T370 HydrophobicContact CD2-CG2 3.97Å; L363-T370 HydrophobicContact CG-CG2 4.11Å
371	H	97.9	Very high	94.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.8	178.1	-67.5	58.9	0	0	0	109.6	V335 V344 T357 L363 S364 V369	V335-H371 VanDerWaalsContact CG1-CE1 3.48Å; V335-H371 WeakPolarHBondContact CG1-CE1 3.34Å; V344-H371 HydrophobicContact CG2-CB 4.07Å; V344-H371 WeakPolarHBondContact CG2-CD2 3.38Å; T357-H371 PolarHBondContact OG1-CD2 3.48Å; T357-H371 PolarHBondContact OG1-NE2 3.25Å; L363-H371 VanDerWaalsContact CA-O 3.31Å; L363-H371 WeakPolarHBondContact CA-O 3.47Å; S364-H371 PolarHBondContact N-O 3.38Å; S364-H371 PolarHBondContact O-N 3.35Å; V369-H371 PolarHBondContact O-ND1 2.94Å
372	I	97.6	Very high	95.1	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	95.8	174.4	-53	-173.5	0	0	0	107.3	L207 N211 V343 V344 V345 D346 L363 Y374	L207-I372 HydrophobicContact CB-CD1 3.94Å; L207-I372 HydrophobicContact CD1-CG2 4.32Å; N211-I372 HydrophobicContact CB-CD1 4.29Å; V343-I372 HydrophobicContact CG1-CD1 3.84Å; V343-I372 HydrophobicContact CG1-CG1 4.12Å; V344-I372 PolarHBondContact O-N 2.95Å; V345-I372 HydrophobicContact CB-CB 4.45Å; V345-I372 HydrophobicContact CG1-CB 4.18Å; V345-I372 HydrophobicContact CG1-CG2 4.24Å; V345-I372 HydrophobicContact CG2-CB 4.19Å; V345-I372 HydrophobicContact CG2-CD1 4.1Å; V345-I372 HydrophobicContact CG2-CG1 4.41Å; D346-I372 PolarHBondContact N-O 3.22Å; L363-I372 HydrophobicContact CD1-CG1 4.27Å; I372-Y374 HydrophobicContact CG2-CD2 3.51Å; I372-Y374 HydrophobicContact CG2-CE2 3.87Å; I372-Y374 HydrophobicContact CG2-CG 4.27Å
373	G	95.8	Very high	95.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	20%	0.2	C	C	.	.			trans	-102.9	20.6	-178	0	0	0	0	0	114.1	A349 G361 E362 T375	A349-G373 VanDerWaalsContact CB-O 3.31Å; A349-G373 WeakPolarHBondContact CB-O 3.42Å; G361-G373 PolarHBondContact N-O 3.03Å; E362-G373 PolarHBondContact O-N 2.6Å; G373-T375 PolarHBondContact O-N 3.12Å
374	Y	94.9	Very high	95.4	Very high	41 Å²	41	38.4 Å²	38.4	16%	0.161	20%	0.204	C	C	.	.			trans	-60	131.3	-176.5	-63.2	-43.8	0	0	0	112.3	L207 G361 L363 I372 L377 R380	L207-Y374 HydrophobicContact CD1-CD2 3.98Å; L207-Y374 HydrophobicContact CD1-CE2 4.29Å; G361-Y374 WeakPolarHBondContact O-CD1 3.22Å; L363-Y374 HydrophobicContact CB-CE1 4.14Å; L363-Y374 WeakPolarHBondContact CB-OH 3.49Å; L363-Y374 HydrophobicContact CD1-CE2 4.44Å; I372-Y374 HydrophobicContact CG2-CD2 3.51Å; I372-Y374 HydrophobicContact CG2-CE2 3.87Å; I372-Y374 HydrophobicContact CG2-CG 4.27Å; Y374-L377 HydrophobicContact CD2-CD2 4.4Å; Y374-R380 VanDerWaalsContact CD1-NH2 3.25Å
375	T	92.1	Very high	95.4	Very high	61 Å²	61	37.2 Å²	37.2	37%	0.374	20%	0.195	S	C	.	.	S	Bend	trans	-92.9	-2.5	178.2	54	0	0	0	0	113	A349 E350 P360 G373	A349-T375 HydrophobicContact CB-CG2 4.08Å; E350-T375 HydrophobicContact CB-CG2 3.99Å; P360-T375 HydrophobicContact CB-CG2 4.15Å; G373-T375 PolarHBondContact O-N 3.12Å
376	D	92.4	Very high	95.5	Very high	29 Å²	29	32.6 Å²	32.6	16%	0.155	17%	0.167	C	C	.	.			trans	-119.9	30.1	-172.5	68.6	-23.7	0	0	0	112.8	S379 R380	D376-S379 WeakPolarHBondContact O-CA 3.31Å; D376-S379 WeakPolarHBondContact O-CB 3.06Å; D376-S379 PolarHBondContact O-N 2.63Å; D376-R380 PolarHBondContact O-N 3.28Å; D376-R380 IonicContact OD1-CZ 3.73Å; D376-R380 IonicContact OD1-NE 3.8Å; D376-R380 PolarHBondContact OD1-NE 3.07Å; D376-R380 IonicContact OD1-NH2 3.44Å; D376-R380 PolarHBondContact OD1-NH2 3.23Å; D376-R380 VanDerWaalsContact OD1-NH2 3.1Å; D376-R380 IonicContact OD2-NE 3.94Å; D376-R380 IonicContact OD2-NH2 3.1Å
377	L	94.3	Very high	95.6	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.037	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-50	-45.9	-174.1	-69.7	174.8	0	0	0	114.2	A200 L207 M347 Y374 S379 R380	A200-L377 HydrophobicContact CB-CB 4.02Å; A200-L377 HydrophobicContact CB-CD1 4.29Å; L207-L377 HydrophobicContact CD1-CD2 3.58Å; M347-L377 HydrophobicContact CE-CD1 4.4Å; M347-L377 HydrophobicContact CG-CD1 3.92Å; Y374-L377 HydrophobicContact CD2-CD2 4.4Å; L377-S379 VanDerWaalsContact C-N 3.3Å; L377-S379 PolarHBondContact O-N 3.36Å; L377-R380 WeakPolarHBondContact O-CB 3.49Å; L377-R380 PolarHBondContact O-N 3.13Å; L377-R380 VanDerWaalsContact O-N 3.1Å
378	P	94.8	Very high	95.8	Very high	20 Å²	20	27.3 Å²	27.3	13%	0.13	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-61.2	-34.5	174.6	-24	35.6	0	0	0	113.7	M196 A200 R380 L381 S385	M196-P378 HydrophobicContact CB-CG 4.14Å; M196-P378 HydrophobicContact SD-CB 3.78Å; M196-P378 HydrophobicContact SD-CG 4.26Å; A200-P378 HydrophobicContact CB-CG 4.3Å; P378-R380 PolarHBondContact O-N 3.41Å; P378-R380 VanDerWaalsContact O-N 3.16Å; P378-L381 CarbonylContact O-C 3.54Å; P378-L381 PolarHBondContact O-N 3.04Å; P378-S385 WeakPolarHBondContact CB-OG 3.29Å; P378-S385 PolarHBondContact O-OG 2.92Å
379	S	95.9	Very high	96.1	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-63.4	-20.5	176.4	-169.8	0	0	0	0	112.7	N69 R71 D376 L377 L381 P382	N69-S379 PolarHBondContact O-OG 2.77Å; R71-S379 WeakPolarHBondContact CB-OG 3.37Å; R71-S379 PolarHBondContact N-OG 2.76Å; D376-S379 WeakPolarHBondContact O-CA 3.31Å; D376-S379 WeakPolarHBondContact O-CB 3.06Å; D376-S379 PolarHBondContact O-N 2.63Å; L377-S379 VanDerWaalsContact C-N 3.3Å; L377-S379 PolarHBondContact O-N 3.36Å; S379-L381 VanDerWaalsContact C-N 3.31Å; S379-P382 VanDerWaalsContact O-CD 3.3Å; S379-P382 WeakPolarHBondContact O-CD 3.39Å
380	R	95.2	Very high	96.1	Very high	69 Å²	69	26.2 Å²	26.2	26%	0.26	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-87	0.1	176.7	-58.1	174.8	180	-97.4	-11.1	113.6	K203 Y374 D376 L377 P378	K203-R380 WeakPolarHBondContact CE-O 3.27Å; K203-R380 HydrophobicContact CG-CB 4.42Å; K203-R380 PolarHBondContact NZ-O 2.92Å; Y374-R380 VanDerWaalsContact CD1-NH2 3.25Å; D376-R380 PolarHBondContact O-N 3.28Å; D376-R380 IonicContact OD1-CZ 3.73Å; D376-R380 IonicContact OD1-NE 3.8Å; D376-R380 PolarHBondContact OD1-NE 3.07Å; D376-R380 IonicContact OD1-NH2 3.44Å; D376-R380 PolarHBondContact OD1-NH2 3.23Å; D376-R380 VanDerWaalsContact OD1-NH2 3.1Å; D376-R380 IonicContact OD2-NE 3.94Å; D376-R380 IonicContact OD2-NH2 3.1Å; L377-R380 WeakPolarHBondContact O-CB 3.49Å; L377-R380 PolarHBondContact O-N 3.13Å; L377-R380 VanDerWaalsContact O-N 3.1Å; P378-R380 PolarHBondContact O-N 3.41Å; P378-R380 VanDerWaalsContact O-N 3.16Å
381	L	96.7	Very high	96	Very high	50 Å²	50	28 Å²	28	26%	0.262	15%	0.146	S	C	.	.	S	Bend	trans	-132.3	56.4	165.7	-161.4	72.2	0	0	0	109.9	I199 Y202 P378 S379 T383 Q384 S385	I199-L381 HydrophobicContact CG2-CB 4Å; I199-L381 HydrophobicContact CG2-CD2 3.94Å; Y202-L381 HydrophobicContact CD1-CD2 4.04Å; Y202-L381 HydrophobicContact CE1-CD2 4.18Å; P378-L381 CarbonylContact O-C 3.54Å; P378-L381 PolarHBondContact O-N 3.04Å; S379-L381 VanDerWaalsContact C-N 3.31Å; L381-T383 PolarHBondContact O-N 3.32Å; L381-Q384 HydrophobicContact CD2-CB 3.91Å; L381-Q384 HydrophobicContact CD2-CG 4.38Å; L381-Q384 HydrophobicContact CG-CB 4.05Å; L381-Q384 PolarHBondContact O-N 3.14Å; L381-S385 PolarHBondContact O-N 2.92Å; L381-S385 VanDerWaalsContact O-N 3.12Å; L381-S385 PolarHBondContact O-OG 3.28Å
382	P	96.5	Very high	95.9	Very high	19 Å²	19	28.3 Å²	28.3	12%	0.123	15%	0.148	C	C	.	.	H	α-helix	trans	-67.3	-36.9	-158	27.2	-33.7	0	0	0	112.8	R71 R72 P99 S379 Q384 S385 S386	R71-P382 HydrophobicContact CB-CB 3.74Å; R71-P382 HydrophobicContact CB-CG 4.06Å; R71-P382 WeakPolarHBondContact O-CB 3.19Å; R72-P382 HydrophobicContact CG-CB 4.28Å; P99-P382 WeakPolarHBondContact O-CG 3.39Å; S379-P382 VanDerWaalsContact O-CD 3.3Å; S379-P382 WeakPolarHBondContact O-CD 3.39Å; P382-Q384 PolarHBondContact O-N 2.94Å; P382-S385 PolarHBondContact O-N 2.92Å; P382-S386 VanDerWaalsContact O-CB 3.26Å; P382-S386 WeakPolarHBondContact O-CB 3.4Å; P382-S386 PolarHBondContact O-N 2.99Å; P382-S386 PolarHBondContact O-OG 2.61Å
383	T	97.2	Very high	95.9	Very high	53 Å²	53	28.2 Å²	28.2	33%	0.325	15%	0.147	S	C	.	.	H	α-helix	trans	-58.7	-47.2	178.5	-47.3	0	0	0	0	112.2	S100 F102 L381 T387	S100-T383 WeakPolarHBondContact O-CB 3.47Å; S100-T383 PolarHBondContact O-OG1 2.78Å; F102-T383 HydrophobicContact CE1-CG2 4.01Å; F102-T383 HydrophobicContact CE2-CG2 4.29Å; F102-T383 HydrophobicContact CZ-CG2 3.61Å; L381-T383 PolarHBondContact O-N 3.32Å; T383-T387 WeakPolarHBondContact O-CB 3.49Å; T383-T387 PolarHBondContact O-N 2.93Å; T383-T387 PolarHBondContact O-OG1 2.97Å
384	Q	96.9	Very high	95.8	Very high	92 Å²	92	29 Å²	29	43%	0.43	15%	0.152	S	C	.	.	H	α-helix	trans	-69	-42.4	179	-170.2	63.4	31.4	0	0	111.1	I199 L381 P382 T387 L388	I199-Q384 HydrophobicContact CD1-CB 4.45Å; I199-Q384 HydrophobicContact CD1-CG 4.12Å; I199-Q384 HydrophobicContact CG1-CG 4.41Å; L381-Q384 HydrophobicContact CD2-CB 3.91Å; L381-Q384 HydrophobicContact CD2-CG 4.38Å; L381-Q384 HydrophobicContact CG-CB 4.05Å; L381-Q384 PolarHBondContact O-N 3.14Å; P382-Q384 PolarHBondContact O-N 2.94Å; Q384-T387 PolarHBondContact O-N 3.05Å; Q384-L388 PolarHBondContact O-N 3.35Å
385	S	96.4	Very high	95.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-46.6	177.3	-66.5	0	0	0	0	112.4	I199 P378 L381 P382 T387 L388 Y389	I199-S385 VanDerWaalsContact CD1-OG 3.27Å; I199-S385 WeakPolarHBondContact CD1-OG 3.24Å; P378-S385 WeakPolarHBondContact CB-OG 3.29Å; P378-S385 PolarHBondContact O-OG 2.92Å; L381-S385 PolarHBondContact O-N 2.92Å; L381-S385 VanDerWaalsContact O-N 3.12Å; L381-S385 PolarHBondContact O-OG 3.28Å; P382-S385 PolarHBondContact O-N 2.92Å; S385-T387 VanDerWaalsContact C-N 3.31Å; S385-T387 PolarHBondContact O-N 3.39Å; S385-L388 PolarHBondContact O-N 3.07Å; S385-Y389 WeakPolarHBondContact O-CB 3.15Å; S385-Y389 PolarHBondContact O-N 3.43Å
386	S	97.6	Very high	95.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62	-39.9	176.8	-60.4	0	0	0	0	111.4	R72 V73 S100 P382 S390	R72-S386 VanDerWaalsContact CA-OG 3.31Å; R72-S386 WeakPolarHBondContact CA-OG 3.23Å; V73-S386 PolarHBondContact N-OG 3.17Å; V73-S386 WeakPolarHBondContact O-CB 3.35Å; V73-S386 PolarHBondContact O-OG 2.66Å; S100-S386 PolarHBondContact OG-OG 2.94Å; P382-S386 VanDerWaalsContact O-CB 3.26Å; P382-S386 WeakPolarHBondContact O-CB 3.4Å; P382-S386 PolarHBondContact O-N 2.99Å; P382-S386 PolarHBondContact O-OG 2.61Å; S386-S390 WeakPolarHBondContact O-CB 3.42Å; S386-S390 PolarHBondContact O-N 3.01Å
387	T	96.9	Very high	95.9	Very high	38 Å²	38	28.2 Å²	28.2	23%	0.233	14%	0.143	C	C	.	.	H	α-helix	trans	-65.8	-49.3	177.7	-54.5	0	0	0	0	112	T383 Q384 S385 S390 N391	T383-T387 WeakPolarHBondContact O-CB 3.49Å; T383-T387 PolarHBondContact O-N 2.93Å; T383-T387 PolarHBondContact O-OG1 2.97Å; Q384-T387 PolarHBondContact O-N 3.05Å; S385-T387 VanDerWaalsContact C-N 3.31Å; S385-T387 PolarHBondContact O-N 3.39Å; T387-S390 WeakPolarHBondContact O-CB 3.39Å; T387-S390 PolarHBondContact O-N 2.96Å; T387-N391 VanDerWaalsContact O-CG 3.24Å; T387-N391 PolarHBondContact O-N 2.91Å; T387-N391 PolarHBondContact O-ND2 3.12Å
388	L	96	Very high	95.7	Very high	44 Å²	44	36.5 Å²	36.5	23%	0.23	17%	0.174	C	C	.	.	H	α-helix	trans	-67.2	-42.2	178.7	-67.6	-169.9	0	0	0	112.1	I199 Q384 S385 N391 N392	I199-L388 HydrophobicContact CD1-CD1 3.95Å; I199-L388 HydrophobicContact CG1-CD1 4.25Å; Q384-L388 PolarHBondContact O-N 3.35Å; S385-L388 PolarHBondContact O-N 3.07Å; L388-N391 WeakPolarHBondContact O-CB 3.43Å; L388-N391 PolarHBondContact O-N 2.84Å; L388-N392 PolarHBondContact O-N 2.94Å; L388-N392 PolarHBondContact O-ND2 3.37Å; L388-N392 VanDerWaalsContact O-ND2 3.09Å
389	Y	97.6	Very high	95.4	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-43.7	177	-170.6	-111.5	0	0	0	111.4	A74 K128 V129 F155 M178 A192 S385 N391 N392 I393	A74-Y389 HydrophobicContact CB-CE1 4.41Å; K128-Y389 WeakPolarHBondContact O-CE1 3.4Å; K128-Y389 PolarHBondContact O-OH 3.14Å; K128-Y389 VanDerWaalsContact O-OH 3.06Å; V129-Y389 HydrophobicContact CB-CE1 4.24Å; V129-Y389 HydrophobicContact CG1-CE1 4.39Å; V129-Y389 HydrophobicContact CG2-CD1 4.12Å; V129-Y389 HydrophobicContact CG2-CE1 4.04Å; V129-Y389 PolarHBondContact O-OH 3.1Å; F155-Y389 HydrophobicContact CD2-CE2 4.22Å; F155-Y389 HydrophobicContact CE2-CD2 4.22Å; F155-Y389 AromaticContact CE2-CE2 3.59Å; F155-Y389 HydrophobicContact CE2-CE2 3.59Å; F155-Y389 HydrophobicContact CZ-CD2 4.5Å; F155-Y389 AromaticContact CZ-CE2 3.91Å; F155-Y389 HydrophobicContact CZ-CE2 3.91Å; M178-Y389 HydrophobicContact CB-CE2 4.35Å; M178-Y389 HydrophobicContact CE-CE2 4.45Å; M178-Y389 HydrophobicContact CG-CE2 4.21Å; A192-Y389 HydrophobicContact CB-CD2 3.76Å; A192-Y389 HydrophobicContact CB-CE2 3.68Å; S385-Y389 WeakPolarHBondContact O-CB 3.15Å; S385-Y389 PolarHBondContact O-N 3.43Å; Y389-N391 VanDerWaalsContact C-N 3.32Å; Y389-N391 PolarHBondContact O-N 2.95Å; Y389-N392 WeakPolarHBondContact O-CB 3.4Å; Y389-N392 PolarHBondContact O-N 2.74Å; Y389-N392 VanDerWaalsContact O-N 3.13Å; Y389-I393 HydrophobicContact CD1-CD1 3.81Å; Y389-I393 HydrophobicContact CD1-CG1 4.46Å; Y389-I393 HydrophobicContact CE1-CD1 3.45Å; Y389-I393 VanDerWaalsContact CE1-CD1 3.45Å; Y389-I393 HydrophobicContact CE1-CG1 4.24Å; Y389-I393 WeakPolarHBondContact O-CG1 3.43Å; Y389-I393 PolarHBondContact O-N 3.25Å
390	S	97.7	Very high	95.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.2	-44.6	171.6	-179.4	0	0	0	0	112	A74 S76 G79 S386 T387 N392 I393 T394	A74-S390 WeakPolarHBondContact O-CA 3.4Å; S76-S390 PolarHBondContact N-OG 3.18Å; S76-S390 VanDerWaalsContact N-OG 3.08Å; S76-S390 PolarHBondContact OG-OG 2.97Å; G79-S390 WeakPolarHBondContact CA-OG 3.44Å; S386-S390 WeakPolarHBondContact O-CB 3.42Å; S386-S390 PolarHBondContact O-N 3.01Å; T387-S390 WeakPolarHBondContact O-CB 3.39Å; T387-S390 PolarHBondContact O-N 2.96Å; S390-N392 VanDerWaalsContact C-N 3.33Å; S390-N392 PolarHBondContact O-N 3.1Å; S390-I393 PolarHBondContact O-N 3.18Å; S390-T394 PolarHBondContact O-N 3.23Å; S390-T394 PolarHBondContact O-OG1 3.13Å
391	N	96.1	Very high	94.9	Very high	57 Å²	57	34.1 Å²	34.1	31%	0.305	17%	0.168	S	C	.	.	H	α-helix	trans	-62.7	-39.6	176.6	-72.5	-20	0	0	0	112.3	T387 L388 Y389 K395	T387-N391 VanDerWaalsContact O-CG 3.24Å; T387-N391 PolarHBondContact O-N 2.91Å; T387-N391 PolarHBondContact O-ND2 3.12Å; L388-N391 WeakPolarHBondContact O-CB 3.43Å; L388-N391 PolarHBondContact O-N 2.84Å; Y389-N391 VanDerWaalsContact C-N 3.32Å; Y389-N391 PolarHBondContact O-N 2.95Å; N391-K395 VanDerWaalsContact O-CB 3.29Å; N391-K395 WeakPolarHBondContact O-CB 3.44Å; N391-K395 VanDerWaalsContact O-CG 3.24Å; N391-K395 WeakPolarHBondContact O-CG 3.43Å; N391-K395 PolarHBondContact O-N 3.28Å
392	N	96.3	Very high	94.3	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.043	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-46.9	176.5	-63.1	-34.1	0	0	0	110.9	M178 G189 Y190 A192 S195 L388 Y389 S390 K395 L396	M178-N392 HydrophobicContact CE-CB 3.97Å; G189-N392 PolarHBondContact O-OD1 3.24Å; Y190-N392 WeakPolarHBondContact CA-OD1 3.34Å; Y190-N392 VanDerWaalsContact CB-O 3.26Å; Y190-N392 WeakPolarHBondContact CB-O 3.31Å; A192-N392 WeakPolarHBondContact CA-ND2 3.26Å; S195-N392 WeakPolarHBondContact CB-ND2 3.43Å; S195-N392 PolarHBondContact OG-ND2 3.26Å; L388-N392 PolarHBondContact O-N 2.94Å; L388-N392 PolarHBondContact O-ND2 3.37Å; L388-N392 VanDerWaalsContact O-ND2 3.09Å; Y389-N392 WeakPolarHBondContact O-CB 3.4Å; Y389-N392 PolarHBondContact O-N 2.74Å; Y389-N392 VanDerWaalsContact O-N 3.13Å; S390-N392 VanDerWaalsContact C-N 3.33Å; S390-N392 PolarHBondContact O-N 3.1Å; N392-K395 PolarHBondContact O-N 2.98Å; N392-L396 VanDerWaalsContact O-CB 3.31Å; N392-L396 WeakPolarHBondContact O-CB 3.31Å; N392-L396 PolarHBondContact O-N 3.13Å
393	I	96.1	Very high	93.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-53.1	176.8	-66.6	-179	0	0	0	110.7	A74 L75 V127 L153 M178 Y389 S390 K395 L396 L397	A74-I393 HydrophobicContact CB-CD1 4.32Å; L75-I393 HydrophobicContact CD2-CB 4.38Å; L75-I393 HydrophobicContact CD2-CG2 4.16Å; V127-I393 HydrophobicContact CB-CD1 4.33Å; V127-I393 HydrophobicContact CG1-CG2 3.99Å; L153-I393 HydrophobicContact CD1-CG2 4.17Å; L153-I393 HydrophobicContact CD2-CD1 3.77Å; L153-I393 HydrophobicContact CD2-CG1 3.67Å; L153-I393 HydrophobicContact CD2-CG2 4.37Å; M178-I393 HydrophobicContact CE-CG1 4.46Å; Y389-I393 HydrophobicContact CD1-CD1 3.81Å; Y389-I393 HydrophobicContact CD1-CG1 4.46Å; Y389-I393 HydrophobicContact CE1-CD1 3.45Å; Y389-I393 VanDerWaalsContact CE1-CD1 3.45Å; Y389-I393 HydrophobicContact CE1-CG1 4.24Å; Y389-I393 WeakPolarHBondContact O-CG1 3.43Å; Y389-I393 PolarHBondContact O-N 3.25Å; S390-I393 PolarHBondContact O-N 3.18Å; I393-K395 VanDerWaalsContact C-N 3.31Å; I393-K395 PolarHBondContact O-N 3.38Å; I393-L396 PolarHBondContact O-N 3.14Å; I393-L397 HydrophobicContact CG2-CD1 3.87Å; I393-L397 HydrophobicContact CG2-CG 4.33Å; I393-L397 WeakPolarHBondContact O-CG 3.36Å; I393-L397 PolarHBondContact O-N 2.87Å
394	T	94.9	Very high	93.1	Very high	17 Å²	17	46.3 Å²	46.3	10%	0.104	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-41.8	-177.6	-55.9	0	0	0	0	111.5	A82 L83 S390 R398	A82-T394 HydrophobicContact CB-CG2 3.61Å; L83-T394 HydrophobicContact CD2-CG2 4.23Å; S390-T394 PolarHBondContact O-N 3.23Å; S390-T394 PolarHBondContact O-OG1 3.13Å; T394-R398 WeakPolarHBondContact O-CB 3.43Å; T394-R398 PolarHBondContact O-N 2.83Å; T394-R398 VanDerWaalsContact O-N 3.1Å
395	K	93.4	Very high	92.4	Very high	114 Å²	114	48.6 Å²	48.6	50%	0.496	24%	0.239	S	C	.	.	H	α-helix	trans	-68.4	-40.1	177.4	-74	174.4	178.7	-178.8	0	112.2	G189 Y190 N391 N392 I393 R398 A399	G189-K395 WeakPolarHBondContact O-CD 3.47Å; Y190-K395 HydrophobicContact CD1-CB 4.11Å; N391-K395 VanDerWaalsContact O-CB 3.29Å; N391-K395 WeakPolarHBondContact O-CB 3.44Å; N391-K395 VanDerWaalsContact O-CG 3.24Å; N391-K395 WeakPolarHBondContact O-CG 3.43Å; N391-K395 PolarHBondContact O-N 3.28Å; N392-K395 PolarHBondContact O-N 2.98Å; I393-K395 VanDerWaalsContact C-N 3.31Å; I393-K395 PolarHBondContact O-N 3.38Å; K395-R398 PolarHBondContact O-N 2.68Å; K395-A399 WeakPolarHBondContact O-CB 3.35Å; K395-A399 PolarHBondContact O-N 2.97Å
396	L	94	Very high	92.1	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-50.7	176.2	180	64.1	0	0	0	110.8	L153 M178 Y190 N392 I393 R398 A399 I400 V423	L153-L396 HydrophobicContact CD1-CD2 4.33Å; M178-L396 HydrophobicContact CE-CD2 4.39Å; M178-L396 HydrophobicContact SD-CD2 3.57Å; M178-L396 VanDerWaalsContact SD-CD2 3.57Å; Y190-L396 HydrophobicContact CD2-CB 4.3Å; Y190-L396 HydrophobicContact CD2-CD1 3.75Å; Y190-L396 HydrophobicContact CE2-CD1 3.79Å; Y190-L396 HydrophobicContact CG-CB 4.14Å; Y190-L396 HydrophobicContact CG-CD1 4.35Å; N392-L396 VanDerWaalsContact O-CB 3.31Å; N392-L396 WeakPolarHBondContact O-CB 3.31Å; N392-L396 PolarHBondContact O-N 3.13Å; I393-L396 PolarHBondContact O-N 3.14Å; L396-R398 VanDerWaalsContact C-N 3.26Å; L396-R398 PolarHBondContact O-N 3.43Å; L396-A399 PolarHBondContact O-N 2.96Å; L396-I400 HydrophobicContact CD1-CG2 3.72Å; L396-I400 HydrophobicContact CG-CG2 4.26Å; L396-I400 WeakPolarHBondContact O-CG1 3.42Å; L396-I400 WeakPolarHBondContact O-CG2 3.26Å; L396-I400 PolarHBondContact O-N 3.5Å; L396-V423 HydrophobicContact CD1-CG1 4.31Å
397	L	92.6	Very high	91.7	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-39.1	179.3	-70.7	176.9	0	0	0	112.1	L83 L125 L153 I393 I400 S401 F407	L83-L397 HydrophobicContact CD1-CD1 4.47Å; L83-L397 HydrophobicContact CD2-CD1 3.96Å; L125-L397 HydrophobicContact CD1-CD2 4.19Å; L153-L397 HydrophobicContact CD1-CD2 4.1Å; L153-L397 HydrophobicContact CD1-CG 4.36Å; I393-L397 HydrophobicContact CG2-CD1 3.87Å; I393-L397 HydrophobicContact CG2-CG 4.33Å; I393-L397 WeakPolarHBondContact O-CG 3.36Å; I393-L397 PolarHBondContact O-N 2.87Å; L397-I400 HydrophobicContact CD2-CD1 4.27Å; L397-S401 PolarHBondContact O-N 3.36Å; L397-F407 HydrophobicContact CD2-CE2 4.11Å; L397-F407 HydrophobicContact CD2-CZ 4.04Å
398	R	89.9	Confident	91.4	Very high	181 Å²	181	54.1 Å²	54.1	68%	0.683	26%	0.259	S	S	*	.	H	α-helix	trans	-70.3	-33.7	174.6	-173.6	176.7	178.3	-167.1	-2.6	113.2	T394 K395 L396 S401	T394-R398 WeakPolarHBondContact O-CB 3.43Å; T394-R398 PolarHBondContact O-N 2.83Å; T394-R398 VanDerWaalsContact O-N 3.1Å; K395-R398 PolarHBondContact O-N 2.68Å; L396-R398 VanDerWaalsContact C-N 3.26Å; L396-R398 PolarHBondContact O-N 3.43Å; R398-S401 CarbonylContact O-C 3.47Å
399	A	89.5	Confident	91.1	Very high	26 Å²	26	53.3 Å²	53.3	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-75.8	-42.1	-178.7	0	0	0	0	0	112.4	Y190 K395 L396 S401 M420	Y190-A399 HydrophobicContact CE1-CB 3.86Å; K395-A399 WeakPolarHBondContact O-CB 3.35Å; K395-A399 PolarHBondContact O-N 2.97Å; L396-A399 PolarHBondContact O-N 2.96Å; A399-S401 VanDerWaalsContact C-N 3.33Å; A399-M420 HydrophobicContact CB-CE 3.87Å; A399-M420 HydrophobicContact CB-SD 4.31Å
400	I	90.9	Very high	90.6	Very high	11 Å²	11	56.5 Å²	56.5	6%	0.056	27%	0.271	C	S	.	.	H	α-helix	trans	-74.7	-25.1	-179.9	69.6	-178.8	0	0	0	112.4	L176 L396 L397 F409 V424	L176-I400 HydrophobicContact CD2-CD1 3.67Å; L396-I400 HydrophobicContact CD1-CG2 3.72Å; L396-I400 HydrophobicContact CG-CG2 4.26Å; L396-I400 WeakPolarHBondContact O-CG1 3.42Å; L396-I400 WeakPolarHBondContact O-CG2 3.26Å; L396-I400 PolarHBondContact O-N 3.5Å; L397-I400 HydrophobicContact CD2-CD1 4.27Å; I400-F409 HydrophobicContact CB-CB 4.1Å; I400-F409 HydrophobicContact CD1-CD1 3.89Å; I400-F409 HydrophobicContact CD1-CE1 4.27Å; I400-F409 HydrophobicContact CD1-CG 4.21Å; I400-F409 HydrophobicContact CG1-CB 4.31Å; I400-F409 HydrophobicContact CG1-CD1 4.27Å; I400-F409 HydrophobicContact CG1-CG 4.45Å; I400-F409 WeakPolarHBondContact O-CB 3.07Å; I400-V424 HydrophobicContact CB-CG2 4.07Å; I400-V424 HydrophobicContact CG2-CG2 3.79Å
401	S	90.1	Very high	90.2	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.014	28%	0.278	C	S	.	.			trans	-131.9	82	177	-157.1	0	0	0	0	111.2	Y55 L397 R398 A399 D403 N406 Y408	Y55-S401 PolarHBondContact OH-O 3.19Å; Y55-S401 VanDerWaalsContact OH-O 3.09Å; L397-S401 PolarHBondContact O-N 3.36Å; R398-S401 CarbonylContact O-C 3.47Å; A399-S401 VanDerWaalsContact C-N 3.33Å; S401-D403 PolarHBondContact O-N 3.46Å; S401-N406 PolarHBondContact OG-O 2.98Å; S401-Y408 VanDerWaalsContact CB-O 3.28Å; S401-Y408 WeakPolarHBondContact CB-O 3.34Å; S401-Y408 PolarHBondContact OG-N 3.45Å; S401-Y408 PolarHBondContact OG-O 2.89Å
402	P	84.8	Confident	89.9	Confident	108 Å²	108	58.8 Å²	58.8	70%	0.701	28%	0.28	S	S	*	.			trans	-77.4	-4.6	-176.6	31.4	-35.8	0	0	0	113.9
403	D	86.4	Confident	89.5	Confident	82 Å²	82	63.1 Å²	63.1	44%	0.439	30%	0.303	S	S	.	.			trans	-65.5	148	177.5	-172.3	-100.5	0	0	0	111.6	Y55 S401 E405 N406	Y55-D403 WeakPolarHBondContact CE2-O 3.39Å; Y55-D403 PolarHBondContact OH-O 3.12Å; S401-D403 PolarHBondContact O-N 3.46Å; D403-E405 PolarHBondContact OD1-N 2.93Å; D403-N406 PolarHBondContact OD1-N 2.95Å; D403-N406 PolarHBondContact OD1-ND2 3.2Å
404	K	80.8	Confident	89	Confident	189 Å²	189	67.9 Å²	67.9	82%	0.822	33%	0.332	S	S	*	.	S	Bend	trans	-84	-22.6	-174.9	-66.9	-175.5	-178	178.1	0	113.9
405	E	83.3	Confident	88.7	Confident	139 Å²	139	67.4 Å²	67.4	65%	0.65	33%	0.328	S	S	*	.	S	Bend	trans	-117.5	-32.1	-171	-64.7	-165.9	166.8	0	0	113.1	P54 Y55 D403	P54-E405 VanDerWaalsContact CA-O 3.31Å; P54-E405 WeakPolarHBondContact CA-O 3.4Å; Y55-E405 VanDerWaalsContact CD2-O 3.28Å; Y55-E405 WeakPolarHBondContact CD2-O 3.47Å; Y55-E405 PolarHBondContact N-O 3Å; D403-E405 PolarHBondContact OD1-N 2.93Å
406	N	89.1	Confident	88.4	Confident	32 Å²	32	65.4 Å²	65.4	17%	0.171	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	142.1	-173.3	-54.3	-70.7	0	0	0	111.8	Y55 S401 D403	Y55-N406 WeakPolarHBondContact CE2-O 3.07Å; Y55-N406 PolarHBondContact OH-O 3.28Å; S401-N406 PolarHBondContact OG-O 2.98Å; D403-N406 PolarHBondContact OD1-N 2.95Å; D403-N406 PolarHBondContact OD1-ND2 3.2Å
407	F	90.4	Very high	88.1	Confident	21 Å²	21	69.6 Å²	69.6	9%	0.092	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	114.2	167.6	-172.4	-116.4	0	0	0	109.4	I53 Y55 L58 F88 L125 L397 F409	I53-F407 PolarHBondContact N-O 3.14Å; I53-F407 PolarHBondContact O-N 3.4Å; Y55-F407 HydrophobicContact CD1-CB 3.89Å; Y55-F407 HydrophobicContact CE1-CB 3.62Å; Y55-F407 AromaticContact CE1-CD2 3.71Å; Y55-F407 HydrophobicContact CE1-CD2 3.71Å; Y55-F407 HydrophobicContact CE1-CG 4.09Å; L58-F407 HydrophobicContact CD1-CB 3.47Å; L58-F407 VanDerWaalsContact CD1-CB 3.47Å; L58-F407 HydrophobicContact CD1-CD1 3.77Å; L58-F407 HydrophobicContact CD1-CG 3.95Å; F88-F407 HydrophobicContact CE1-CG 4.42Å; F88-F407 HydrophobicContact CZ-CB 4.48Å; F88-F407 AromaticContact CZ-CD2 3.78Å; F88-F407 HydrophobicContact CZ-CD2 3.78Å; F88-F407 HydrophobicContact CZ-CE2 4.13Å; F88-F407 HydrophobicContact CZ-CG 4.1Å; L125-F407 HydrophobicContact CD1-CE1 3.92Å; L125-F407 HydrophobicContact CD1-CZ 3.89Å; L397-F407 HydrophobicContact CD2-CE2 4.11Å; L397-F407 HydrophobicContact CD2-CZ 4.04Å; F407-F409 HydrophobicContact CE1-CD1 4.15Å; F407-F409 AromaticContact CE1-CE1 3.66Å; F407-F409 HydrophobicContact CE1-CE1 3.66Å; F407-F409 HydrophobicContact CE2-CD1 4.36Å; F407-F409 AromaticContact CZ-CD1 3.88Å; F407-F409 HydrophobicContact CZ-CD1 3.88Å; F407-F409 AromaticContact CZ-CE1 3.62Å; F407-F409 HydrophobicContact CZ-CE1 3.62Å
408	Y	89	Confident	87.7	Confident	102 Å²	102	70.9 Å²	70.9	40%	0.4	35%	0.353	S	S	.	.			trans	-156.5	137.3	177	177.7	-108.5	0	0	0	110.1	P51 S401 D410	P51-Y408 HydrophobicContact CB-CD1 4.38Å; P51-Y408 HydrophobicContact CB-CD2 4.31Å; P51-Y408 HydrophobicContact CB-CE1 4.2Å; P51-Y408 HydrophobicContact CB-CE2 4.15Å; P51-Y408 HydrophobicContact CB-CG 4.43Å; P51-Y408 HydrophobicContact CG-CD1 4.26Å; P51-Y408 HydrophobicContact CG-CE1 4.07Å; P51-Y408 WeakPolarHBondContact O-CB 3.37Å; P51-Y408 VanDerWaalsContact O-CG 3.27Å; S401-Y408 VanDerWaalsContact CB-O 3.28Å; S401-Y408 WeakPolarHBondContact CB-O 3.34Å; S401-Y408 PolarHBondContact OG-N 3.45Å; S401-Y408 PolarHBondContact OG-O 2.89Å; Y408-D410 HydrophobicContact CE1-CB 4.15Å
409	F	89.9	Confident	87.6	Confident	26 Å²	26	64.7 Å²	64.7	11%	0.114	34%	0.335	C	S	.	.			trans	-139.8	137	169.7	54.4	-90.4	0	0	0	107.8	T174 L176 I400 F407 V411 V424 V428	T174-F409 HydrophobicContact CG2-CZ 4.29Å; L176-F409 HydrophobicContact CD1-CZ 4.05Å; I400-F409 HydrophobicContact CB-CB 4.1Å; I400-F409 HydrophobicContact CD1-CD1 3.89Å; I400-F409 HydrophobicContact CD1-CE1 4.27Å; I400-F409 HydrophobicContact CD1-CG 4.21Å; I400-F409 HydrophobicContact CG1-CB 4.31Å; I400-F409 HydrophobicContact CG1-CD1 4.27Å; I400-F409 HydrophobicContact CG1-CG 4.45Å; I400-F409 WeakPolarHBondContact O-CB 3.07Å; F407-F409 HydrophobicContact CE1-CD1 4.15Å; F407-F409 AromaticContact CE1-CE1 3.66Å; F407-F409 HydrophobicContact CE1-CE1 3.66Å; F407-F409 HydrophobicContact CE2-CD1 4.36Å; F407-F409 AromaticContact CZ-CD1 3.88Å; F407-F409 HydrophobicContact CZ-CD1 3.88Å; F407-F409 AromaticContact CZ-CE1 3.62Å; F407-F409 HydrophobicContact CZ-CE1 3.62Å; F409-V411 HydrophobicContact CD2-CG2 4.08Å; F409-V411 HydrophobicContact CE2-CG2 4.18Å; F409-V424 HydrophobicContact CD2-CG1 4.06Å; F409-V428 HydrophobicContact CD2-CG2 4.49Å; F409-V428 HydrophobicContact CE2-CG2 3.96Å
410	D	87.2	Confident	87.6	Confident	70 Å²	70	66.5 Å²	66.5	37%	0.374	34%	0.34	S	S	.	.			trans	-95.8	136.3	-178.9	-169.8	24.7	0	0	0	110.2	Y408 K412 V424	Y408-D410 HydrophobicContact CE1-CB 4.15Å; D410-K412 WeakPolarHBondContact OD2-CE 3.47Å; D410-V424 WeakPolarHBondContact O-CG1 3.39Å
411	V	90.6	Very high	87.6	Confident	23 Å²	23	68.4 Å²	68.4	14%	0.139	35%	0.35	C	S	.	.			trans	-110.7	111.5	-178.1	-175.9	0	0	0	0	108	F409 V424 V428 L436	F409-V411 HydrophobicContact CD2-CG2 4.08Å; F409-V411 HydrophobicContact CE2-CG2 4.18Å; V411-V424 HydrophobicContact CG2-CG1 4.07Å; V411-V428 HydrophobicContact CG2-CB 4.46Å; V411-V428 HydrophobicContact CG2-CG1 4.38Å; V411-V428 HydrophobicContact CG2-CG2 4.15Å; V411-L436 HydrophobicContact CG1-CD1 4.1Å
412	K	89.4	Confident	87.7	Confident	82 Å²	82	69.3 Å²	69.3	36%	0.357	35%	0.354	S	S	.	.			trans	-115.1	138.3	-179.1	-57.6	178.6	-162.3	153.2	0	110.3	D410 F415 D421 R425	D410-K412 WeakPolarHBondContact OD2-CE 3.47Å; K412-F415 WeakPolarHBondContact O-CD1 3.37Å; K412-D421 IonicContact NZ-OD1 2.64Å; K412-D421 IonicContact NZ-OD2 2.71Å; K412-D421 PolarHBondContact NZ-OD2 2.84Å; K412-R425 WeakPolarHBondContact O-CB 3.41Å; K412-R425 VanDerWaalsContact O-CG 3.29Å; K412-R425 WeakPolarHBondContact O-CG 3.46Å
413	D	87	Confident	88	Confident	98 Å²	98	64.2 Å²	64.2	52%	0.524	32%	0.321	S	S	.	.	S	Bend	trans	-83.4	-12.7	174.5	-74	-44.7	0	0	0	113.3	F415 R425 P440	D413-F415 WeakPolarHBondContact O-CE1 3.16Å; D413-R425 IonicContact OD1-CZ 3.61Å; D413-R425 IonicContact OD1-NE 3.57Å; D413-R425 PolarHBondContact OD1-NE 3.35Å; D413-R425 IonicContact OD1-NH2 3.04Å; D413-R425 PolarHBondContact OD1-NH2 3.4Å; D413-R425 VanDerWaalsContact OD1-NH2 3.14Å; D413-P440 WeakPolarHBondContact O-CG 3.46Å
414	V	86.5	Confident	88.4	Confident	100 Å²	100	60.6 Å²	60.6	61%	0.606	30%	0.302	S	S	*	.	S	Bend	trans	-111.6	116.2	175.4	-177.4	0	0	0	0	108.7	N443	V414-N443 WeakPolarHBondContact CG1-ND2 3.49Å
415	F	88.3	Confident	89	Confident	7 Å²	7	52.1 Å²	52.1	3%	0.031	27%	0.265	C	S	.	.			trans	-153.7	156.5	-175.6	50.8	-89.5	0	0	0	111.9	K412 D413 D421 H422 R425 P440 P442 N443	K412-F415 WeakPolarHBondContact O-CD1 3.37Å; D413-F415 WeakPolarHBondContact O-CE1 3.16Å; F415-D421 HydrophobicContact CB-CB 3.86Å; F415-H422 HydrophobicContact CD2-CB 3.7Å; F415-H422 AromaticContact CD2-CD2 3.88Å; F415-H422 HydrophobicContact CE2-CB 4.24Å; F415-H422 AromaticContact CE2-CD2 3.5Å; F415-H422 VanDerWaalsContact CE2-CD2 3.5Å; F415-H422 WeakPolarHBondContact CE2-CD2 3.08Å; F415-H422 HydrophobicContact CG-CB 4.47Å; F415-R425 HydrophobicContact CD1-CB 4.03Å; F415-R425 HydrophobicContact CD1-CG 3.96Å; F415-R425 HydrophobicContact CE1-CB 3.87Å; F415-R425 HydrophobicContact CE1-CG 3.4Å; F415-R425 HydrophobicContact CZ-CB 4.39Å; F415-R425 HydrophobicContact CZ-CG 4.02Å; F415-P440 HydrophobicContact CE1-CG 3.76Å; F415-P440 HydrophobicContact CZ-CG 4.01Å; F415-P440 WeakPolarHBondContact CZ-O 3.41Å; F415-P442 HydrophobicContact CD2-CB 4.14Å; F415-P442 HydrophobicContact CD2-CG 4.45Å; F415-P442 HydrophobicContact CE2-CB 4.06Å; F415-P442 HydrophobicContact CE2-CG 3.96Å; F415-N443 PolarHBondContact O-N 2.87Å
416	D	87.3	Confident	89.4	Confident	72 Å²	72	46 Å²	46	39%	0.385	24%	0.24	S	C	.	.			trans	-96.6	144.8	177.2	-64.1	-23.6	0	0	0	110.7	G418 T419 N443 N444	D416-G418 PolarHBondContact O-N 3.41Å; D416-T419 HydrophobicContact CB-CG2 3.83Å; D416-T419 PolarHBondContact O-N 3.32Å; D416-T419 PolarHBondContact O-OG1 2.81Å; D416-N443 WeakPolarHBondContact OD1-CB 3.32Å; D416-N443 PolarHBondContact OD1-ND2 3.02Å; D416-N443 VanDerWaalsContact OD1-ND2 3.14Å; D416-N444 WeakPolarHBondContact CA-OD1 3.26Å; D416-N444 WeakPolarHBondContact CB-OD1 3.44Å
417	Y	86.1	Confident	89.7	Confident	90 Å²	90	44.6 Å²	44.6	35%	0.353	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	137.2	176.5	-178.3	-89.5	0	0	0	110.8	V184 T419 H422 P442 N444 P446	V184-Y417 HydrophobicContact CG1-CD2 4.5Å; V184-Y417 HydrophobicContact CG1-CE1 4.23Å; V184-Y417 HydrophobicContact CG1-CE2 3.86Å; Y417-T419 VanDerWaalsContact C-N 3.28Å; Y417-T419 PolarHBondContact O-N 3.33Å; Y417-H422 AromaticContact CD2-CE1 3.78Å; Y417-P442 HydrophobicContact CD2-CG 4.13Å; Y417-N444 PolarHBondContact N-OD1 3.19Å; Y417-P446 VanDerWaalsContact CD1-CD 3.44Å; Y417-P446 HydrophobicContact CD1-CG 3.65Å; Y417-P446 HydrophobicContact CE1-CG 3.58Å; Y417-P446 HydrophobicContact CG-CG 4.24Å
418	G	84.3	Confident	89.9	Confident	28 Å²	28	43.6 Å²	43.6	29%	0.289	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	2.7	178.1	0	0	0	0	0	115.6	I186 D416	I186-G418 WeakPolarHBondContact CD1-O 3.41Å; D416-G418 PolarHBondContact O-N 3.41Å
419	T	88.8	Confident	90.2	Very high	50 Å²	50	38.9 Å²	38.9	31%	0.307	21%	0.209	S	C	.	.	S	Bend	trans	-89.7	165.6	174.1	66.9	0	0	0	0	112.4	D416 Y417 D421 H422 V423	D416-T419 HydrophobicContact CB-CG2 3.83Å; D416-T419 PolarHBondContact O-N 3.32Å; D416-T419 PolarHBondContact O-OG1 2.81Å; Y417-T419 VanDerWaalsContact C-N 3.28Å; Y417-T419 PolarHBondContact O-N 3.33Å; T419-D421 VanDerWaalsContact C-N 3.27Å; T419-D421 PolarHBondContact O-N 3.11Å; T419-H422 WeakPolarHBondContact O-CB 3.44Å; T419-H422 PolarHBondContact O-N 3.08Å; T419-V423 PolarHBondContact O-N 3.4Å
420	M	90.2	Very high	90.5	Very high	65 Å²	65	37.7 Å²	37.7	32%	0.32	20%	0.204	S	C	.	.	H	α-helix	trans	-64.7	-32.9	176.2	-169.9	57.2	67.4	0	0	112.2	I186 A399 H422 V423 V424	I186-M420 HydrophobicContact CD1-CE 4.38Å; A399-M420 HydrophobicContact CB-CE 3.87Å; A399-M420 HydrophobicContact CB-SD 4.31Å; M420-H422 VanDerWaalsContact C-N 3.27Å; M420-H422 PolarHBondContact O-N 3.19Å; M420-V423 WeakPolarHBondContact O-CA 3.28Å; M420-V423 WeakPolarHBondContact O-CB 3.47Å; M420-V423 PolarHBondContact O-N 3.21Å; M420-V423 HydrophobicContact SD-CB 4.02Å; M420-V423 HydrophobicContact SD-CG1 4.3Å; M420-V423 HydrophobicContact SD-CG2 4.41Å; M420-V424 HydrophobicContact CG-CG2 4.32Å; M420-V424 WeakPolarHBondContact O-CG2 3.43Å; M420-V424 PolarHBondContact O-N 3.18Å
421	D	90.7	Very high	90.9	Very high	50 Å²	50	37.2 Å²	37.2	27%	0.267	20%	0.2	S	C	.	.	H	α-helix	trans	-61.6	-36.8	177.3	-70.9	-8	0	0	0	111.1	K412 F415 T419 V423 V424 R425	K412-D421 IonicContact NZ-OD1 2.64Å; K412-D421 IonicContact NZ-OD2 2.71Å; K412-D421 PolarHBondContact NZ-OD2 2.84Å; F415-D421 HydrophobicContact CB-CB 3.86Å; T419-D421 VanDerWaalsContact C-N 3.27Å; T419-D421 PolarHBondContact O-N 3.11Å; D421-V423 VanDerWaalsContact C-N 3.35Å; D421-V423 PolarHBondContact O-N 3.11Å; D421-V424 PolarHBondContact O-N 2.89Å; D421-R425 VanDerWaalsContact O-CB 3.29Å; D421-R425 WeakPolarHBondContact O-CB 3.36Å; D421-R425 PolarHBondContact O-N 3.01Å
422	H	90.9	Very high	90.9	Very high	22 Å²	22	41.1 Å²	41.1	10%	0.102	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-41.5	171.5	177.7	-150.2	0	0	0	112.1	F415 Y417 T419 M420 G426	F415-H422 HydrophobicContact CD2-CB 3.7Å; F415-H422 AromaticContact CD2-CD2 3.88Å; F415-H422 HydrophobicContact CE2-CB 4.24Å; F415-H422 AromaticContact CE2-CD2 3.5Å; F415-H422 VanDerWaalsContact CE2-CD2 3.5Å; F415-H422 WeakPolarHBondContact CE2-CD2 3.08Å; F415-H422 HydrophobicContact CG-CB 4.47Å; Y417-H422 AromaticContact CD2-CE1 3.78Å; T419-H422 WeakPolarHBondContact O-CB 3.44Å; T419-H422 PolarHBondContact O-N 3.08Å; M420-H422 VanDerWaalsContact C-N 3.27Å; M420-H422 PolarHBondContact O-N 3.19Å; H422-G426 PolarHBondContact O-N 2.97Å
423	V	92.7	Very high	91	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.5	-48.7	177.5	178.9	0	0	0	0	111	P182 V184 I186 A187 Y190 L396 T419 M420 D421 G426 S427	P182-V423 HydrophobicContact CG-CB 4.44Å; P182-V423 HydrophobicContact CG-CG2 4.26Å; V184-V423 HydrophobicContact CG2-CG2 3.99Å; I186-V423 HydrophobicContact CD1-CG2 4.03Å; I186-V423 HydrophobicContact CG1-CG2 4.27Å; A187-V423 HydrophobicContact CB-CG1 4.47Å; A187-V423 HydrophobicContact CB-CG2 3.9Å; Y190-V423 HydrophobicContact CE2-CG1 3.62Å; L396-V423 HydrophobicContact CD1-CG1 4.31Å; T419-V423 PolarHBondContact O-N 3.4Å; M420-V423 WeakPolarHBondContact O-CA 3.28Å; M420-V423 WeakPolarHBondContact O-CB 3.47Å; M420-V423 PolarHBondContact O-N 3.21Å; M420-V423 HydrophobicContact SD-CB 4.02Å; M420-V423 HydrophobicContact SD-CG1 4.3Å; M420-V423 HydrophobicContact SD-CG2 4.41Å; D421-V423 VanDerWaalsContact C-N 3.35Å; D421-V423 PolarHBondContact O-N 3.11Å; V423-G426 PolarHBondContact O-N 3.11Å; V423-S427 VanDerWaalsContact O-CB 3.31Å; V423-S427 WeakPolarHBondContact O-CB 3.43Å; V423-S427 PolarHBondContact O-N 2.89Å; V423-S427 PolarHBondContact O-OG 2.75Å
424	V	93.5	Very high	91.3	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-50.4	-179.5	174.8	0	0	0	0	110	I400 F409 D410 V411 M420 D421 G426 S427 V428	I400-V424 HydrophobicContact CB-CG2 4.07Å; I400-V424 HydrophobicContact CG2-CG2 3.79Å; F409-V424 HydrophobicContact CD2-CG1 4.06Å; D410-V424 WeakPolarHBondContact O-CG1 3.39Å; V411-V424 HydrophobicContact CG2-CG1 4.07Å; M420-V424 HydrophobicContact CG-CG2 4.32Å; M420-V424 WeakPolarHBondContact O-CG2 3.43Å; M420-V424 PolarHBondContact O-N 3.18Å; D421-V424 PolarHBondContact O-N 2.89Å; V424-G426 VanDerWaalsContact C-N 3.35Å; V424-G426 PolarHBondContact O-N 3Å; V424-S427 PolarHBondContact O-N 3.28Å; V424-V428 HydrophobicContact CG1-CG2 4.29Å; V424-V428 WeakPolarHBondContact O-CG2 3.35Å; V424-V428 PolarHBondContact O-N 2.9Å
425	R	94	Very high	91.6	Very high	11 Å²	11	38.7 Å²	38.7	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-33.2	-177.4	-177.2	56	-175.3	88.6	-3.3	113.7	K412 D413 F415 D421 L436	K412-R425 WeakPolarHBondContact O-CB 3.41Å; K412-R425 VanDerWaalsContact O-CG 3.29Å; K412-R425 WeakPolarHBondContact O-CG 3.46Å; D413-R425 IonicContact OD1-CZ 3.61Å; D413-R425 IonicContact OD1-NE 3.57Å; D413-R425 PolarHBondContact OD1-NE 3.35Å; D413-R425 IonicContact OD1-NH2 3.04Å; D413-R425 PolarHBondContact OD1-NH2 3.4Å; D413-R425 VanDerWaalsContact OD1-NH2 3.14Å; F415-R425 HydrophobicContact CD1-CB 4.03Å; F415-R425 HydrophobicContact CD1-CG 3.96Å; F415-R425 HydrophobicContact CE1-CB 3.87Å; F415-R425 HydrophobicContact CE1-CG 3.4Å; F415-R425 HydrophobicContact CZ-CB 4.39Å; F415-R425 HydrophobicContact CZ-CG 4.02Å; D421-R425 VanDerWaalsContact O-CB 3.29Å; D421-R425 WeakPolarHBondContact O-CB 3.36Å; D421-R425 PolarHBondContact O-N 3.01Å; R425-L436 VanDerWaalsContact CZ-O 3.31Å; R425-L436 PolarHBondContact NH1-O 2.72Å; R425-L436 PolarHBondContact NH2-O 3.48Å
426	G	91.7	Very high	91.8	Very high	12 Å²	12	39.4 Å²	39.4	12%	0.124	21%	0.209	C	C	.	.	H	α-helix	trans	-69	-40	172.3	0	0	0	0	0	112.5	Q180 H422 V423 V424	Q180-G426 WeakPolarHBondContact CB-O 3.39Å; Q180-G426 CarbonylContact O-C 3.59Å; H422-G426 PolarHBondContact O-N 2.97Å; V423-G426 PolarHBondContact O-N 3.11Å; V424-G426 VanDerWaalsContact C-N 3.35Å; V424-G426 PolarHBondContact O-N 3Å
427	S	94.4	Very high	92.1	Very high	1 Å²	1	39 Å²	39	1%	0.007	20%	0.204	C	C	.	.	H	α-helix	trans	-75.1	-33.7	-177.3	-52.6	0	0	0	0	113	L176 A177 V423 V424 V429	L176-S427 CarbonylContact C-O 3.59Å; L176-S427 WeakPolarHBondContact CA-O 3.39Å; A177-S427 PolarHBondContact N-O 2.87Å; V423-S427 VanDerWaalsContact O-CB 3.31Å; V423-S427 WeakPolarHBondContact O-CB 3.43Å; V423-S427 PolarHBondContact O-N 2.89Å; V423-S427 PolarHBondContact O-OG 2.75Å; V424-S427 PolarHBondContact O-N 3.28Å; S427-V429 PolarHBondContact O-N 3.15Å
428	V	95.9	Very high	92.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	109.4	-179.2	-179.6	0	0	0	0	110.3	L176 F409 V411 V424 M430 Q431 L436	L176-V428 HydrophobicContact CD1-CG2 4.29Å; L176-V428 HydrophobicContact CG-CG2 4.07Å; F409-V428 HydrophobicContact CD2-CG2 4.49Å; F409-V428 HydrophobicContact CE2-CG2 3.96Å; V411-V428 HydrophobicContact CG2-CB 4.46Å; V411-V428 HydrophobicContact CG2-CG1 4.38Å; V411-V428 HydrophobicContact CG2-CG2 4.15Å; V424-V428 HydrophobicContact CG1-CG2 4.29Å; V424-V428 WeakPolarHBondContact O-CG2 3.35Å; V424-V428 PolarHBondContact O-N 2.9Å; V428-M430 WeakPolarHBondContact CG1-O 3.45Å; V428-Q431 HydrophobicContact CG1-CB 4.35Å; V428-L436 HydrophobicContact CG1-CD1 4.21Å
429	V	95.9	Very high	92.5	Very high	2 Å²	2	40 Å²	40	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-18.8	179	-62.4	0	0	0	0	112.8	P158 M165 V175 A177 Q180 S427 N435 L436 F437	P158-V429 HydrophobicContact CG-CG1 4.09Å; M165-V429 HydrophobicContact CE-CB 4.21Å; M165-V429 HydrophobicContact CE-CG2 4.09Å; M165-V429 HydrophobicContact SD-CG2 4.45Å; V175-V429 HydrophobicContact CB-CG2 3.88Å; V175-V429 HydrophobicContact CG1-CG2 3.73Å; V175-V429 PolarHBondContact O-N 3.37Å; A177-V429 HydrophobicContact CB-CB 4.49Å; A177-V429 HydrophobicContact CB-CG1 3.6Å; A177-V429 HydrophobicContact CB-CG2 4.02Å; Q180-V429 HydrophobicContact CB-CG1 4.25Å; Q180-V429 HydrophobicContact CG-CG1 3.8Å; S427-V429 PolarHBondContact O-N 3.15Å; V429-N435 PolarHBondContact O-OD1 2.97Å; V429-L436 PolarHBondContact O-N 3.07Å; V429-F437 HydrophobicContact CB-CB 4.24Å; V429-F437 HydrophobicContact CG1-CB 4.47Å; V429-F437 HydrophobicContact CG1-CD2 4.45Å; V429-F437 PolarHBondContact O-N 3.36Å
430	M	95.5	Very high	92.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	140.1	177.1	-173.1	-177.9	-71.6	0	0	110.2	M165 L168 T174 V175 V428 Q434	M165-M430 HydrophobicContact CB-CE 4.45Å; M165-M430 HydrophobicContact CE-CE 3.96Å; M165-M430 WeakPolarHBondContact O-CE 3.26Å; M165-M430 HydrophobicContact SD-CE 4.37Å; L168-M430 VanDerWaalsContact C-SD 3.6Å; L168-M430 HydrophobicContact CB-CE 3.93Å; L168-M430 HydrophobicContact CB-SD 3.89Å; T174-M430 CarbonylContact C-O 3.59Å; T174-M430 WeakPolarHBondContact CA-O 3.45Å; V175-M430 HydrophobicContact CB-CB 3.94Å; V175-M430 HydrophobicContact CG2-CB 3.92Å; V175-M430 HydrophobicContact CG2-SD 4.1Å; V175-M430 PolarHBondContact N-O 2.88Å; V175-M430 PolarHBondContact O-N 2.84Å; V428-M430 WeakPolarHBondContact CG1-O 3.45Å; M430-Q434 CarbonylContact C-O 3.53Å; M430-Q434 VanDerWaalsContact CA-O 3.26Å; M430-Q434 WeakPolarHBondContact CA-O 3.29Å; M430-Q434 WeakPolarHBondContact CG-O 3.17Å
431	Q	94.4	Very high	92.3	Very high	60 Å²	60	44.1 Å²	44.1	28%	0.28	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	122.7	174.9	-169	176.2	26.4	0	0	110	V428 G433 Q434 L436	V428-Q431 HydrophobicContact CG1-CB 4.35Å; Q431-G433 PolarHBondContact O-N 3.14Å; Q431-G433 VanDerWaalsContact O-N 3.12Å; Q431-Q434 PolarHBondContact N-O 3.48Å; Q431-Q434 WeakPolarHBondContact O-CB 3.4Å; Q431-Q434 PolarHBondContact O-N 2.95Å; Q431-L436 HydrophobicContact CB-CD1 3.73Å
432	N	91.6	Very high	92.1	Very high	105 Å²	105	42.4 Å²	42.4	56%	0.561	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	36.3	-178.1	-60.1	-37.4	0	0	0	113.9	K172 A173 T174 Q434	K172-N432 CarbonylContact O-C 3.59Å; K172-N432 WeakPolarHBondContact O-CA 3.39Å; A173-N432 PolarHBondContact O-N 3.1Å; T174-N432 PolarHBondContact OG1-N 2.89Å; T174-N432 VanDerWaalsContact OG1-N 3.13Å; N432-Q434 VanDerWaalsContact C-N 3.32Å; N432-Q434 PolarHBondContact O-N 3.41Å
433	G	90.9	Very high	91.8	Very high	9 Å²	9	46.4 Å²	46.4	9%	0.093	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-10.1	-176.6	0	0	0	0	0	116	S169 A173 Q431	S169-G433 WeakPolarHBondContact CB-O 3.37Å; S169-G433 PolarHBondContact OG-O 3.41Å; A173-G433 PolarHBondContact O-N 2.98Å; Q431-G433 PolarHBondContact O-N 3.14Å; Q431-G433 VanDerWaalsContact O-N 3.12Å
434	Q	93.9	Very high	91.2	Very high	135 Å²	135	50.3 Å²	50.3	63%	0.631	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.3	173.5	-173.4	178	3.3	0	0	110.1	M430 Q431 N432 L436	M430-Q434 CarbonylContact C-O 3.53Å; M430-Q434 VanDerWaalsContact CA-O 3.26Å; M430-Q434 WeakPolarHBondContact CA-O 3.29Å; M430-Q434 WeakPolarHBondContact CG-O 3.17Å; Q431-Q434 PolarHBondContact N-O 3.48Å; Q431-Q434 WeakPolarHBondContact O-CB 3.4Å; Q431-Q434 PolarHBondContact O-N 2.95Å; N432-Q434 VanDerWaalsContact C-N 3.32Å; N432-Q434 PolarHBondContact O-N 3.41Å; Q434-L436 HydrophobicContact CG-CD2 4.22Å; Q434-L436 PolarHBondContact O-N 3.26Å
435	N	93.1	Very high	90.1	Very high	86 Å²	86	53.9 Å²	53.9	46%	0.46	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.7	175	-172.4	4.8	0	0	0	110.2	V429 F437	V429-N435 PolarHBondContact O-OD1 2.97Å; N435-F437 WeakPolarHBondContact OD1-CB 3.33Å; N435-F437 PolarHBondContact OD1-N 3.33Å
436	L	93	Very high	88.6	Confident	21 Å²	21	56.8 Å²	56.8	11%	0.11	32%	0.316	C	S	.	.			trans	-111.4	3.1	-179.7	-60.5	-178.2	0	0	0	112.5	V411 R425 V428 V429 Q431 Q434 P438	V411-L436 HydrophobicContact CG1-CD1 4.1Å; R425-L436 VanDerWaalsContact CZ-O 3.31Å; R425-L436 PolarHBondContact NH1-O 2.72Å; R425-L436 PolarHBondContact NH2-O 3.48Å; V428-L436 HydrophobicContact CG1-CD1 4.21Å; V429-L436 PolarHBondContact O-N 3.07Å; Q431-L436 HydrophobicContact CB-CD1 3.73Å; Q434-L436 HydrophobicContact CG-CD2 4.22Å; Q434-L436 PolarHBondContact O-N 3.26Å; L436-P438 CarbonylContact O-C 3.58Å
437	F	91.8	Very high	86.8	Confident	64 Å²	64	63.8 Å²	63.8	28%	0.281	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-89.2	138.7	176.3	176.7	-93.2	0	0	0	111.5	P158 A159 V429 N435	P158-F437 HydrophobicContact CB-CB 4.47Å; P158-F437 HydrophobicContact CB-CD1 4.1Å; P158-F437 HydrophobicContact CB-CD2 4.22Å; P158-F437 HydrophobicContact CB-CE1 4.44Å; P158-F437 HydrophobicContact CB-CG 3.99Å; P158-F437 HydrophobicContact CG-CD1 4.2Å; P158-F437 HydrophobicContact CG-CD2 3.54Å; P158-F437 HydrophobicContact CG-CE1 4.31Å; P158-F437 HydrophobicContact CG-CE2 3.68Å; P158-F437 HydrophobicContact CG-CG 3.83Å; P158-F437 HydrophobicContact CG-CZ 4.07Å; A159-F437 HydrophobicContact CB-CE1 4.05Å; A159-F437 HydrophobicContact CB-CZ 3.92Å; V429-F437 HydrophobicContact CB-CB 4.24Å; V429-F437 HydrophobicContact CG1-CB 4.47Å; V429-F437 HydrophobicContact CG1-CD2 4.45Å; V429-F437 PolarHBondContact O-N 3.36Å; N435-F437 WeakPolarHBondContact OD1-CB 3.33Å; N435-F437 PolarHBondContact OD1-N 3.33Å
438	P	90.4	Very high	84.8	Confident	97 Å²	97	68.1 Å²	68.1	63%	0.63	39%	0.385	S	S	*	.	S	Bend	cis	-79.2	155.9	-4	32.4	-34.8	0	0	0	113.2	L436	L436-P438 CarbonylContact O-C 3.58Å
439	A	88.9	Confident	82.8	Confident	42 Å²	42	72.2 Å²	72.2	35%	0.347	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-67.8	145	175.1	0	0	0	0	0	111.6
440	P	89.3	Confident	80.9	Confident	54 Å²	54	77.6 Å²	77.6	35%	0.351	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-68.9	165.5	174.6	29.9	-34.1	0	0	0	111.5	D413 F415	D413-P440 WeakPolarHBondContact O-CG 3.46Å; F415-P440 HydrophobicContact CE1-CG 3.76Å; F415-P440 HydrophobicContact CZ-CG 4.01Å; F415-P440 WeakPolarHBondContact CZ-O 3.41Å
441	Q	85.6	Confident	79.2	Confident	148 Å²	148	83.5 Å²	83.5	69%	0.692	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-74.8	144.3	176.1	-70.3	-71.1	-17.1	0	0	111.1
442	P	86.3	Confident	77.9	Confident	14 Å²	14	89.4 Å²	89.4	9%	0.091	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-64.9	154.5	174.8	-12	22.6	0	0	0	113	F415 Y417 N444	F415-P442 HydrophobicContact CD2-CB 4.14Å; F415-P442 HydrophobicContact CD2-CG 4.45Å; F415-P442 HydrophobicContact CE2-CB 4.06Å; F415-P442 HydrophobicContact CE2-CG 3.96Å; Y417-P442 HydrophobicContact CD2-CG 4.13Å; P442-N444 PolarHBondContact O-N 3.35Å
443	N	84.8	Confident	76.9	Confident	105 Å²	105	88.8 Å²	88.8	56%	0.561	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-34.1	-177.6	-65.7	-32	0	0	0	114.5	V414 F415 D416	V414-N443 WeakPolarHBondContact CG1-ND2 3.49Å; F415-N443 PolarHBondContact O-N 2.87Å; D416-N443 WeakPolarHBondContact OD1-CB 3.32Å; D416-N443 PolarHBondContact OD1-ND2 3.02Å; D416-N443 VanDerWaalsContact OD1-ND2 3.14Å
444	N	81.2	Confident	76.5	Confident	83 Å²	83	93.1 Å²	93.1	44%	0.444	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	50.5	-167	64.5	-19.2	0	0	0	112.4	D416 Y417 P442 P446	D416-N444 WeakPolarHBondContact CA-OD1 3.26Å; D416-N444 WeakPolarHBondContact CB-OD1 3.44Å; Y417-N444 PolarHBondContact N-OD1 3.19Å; P442-N444 PolarHBondContact O-N 3.35Å; N444-P446 WeakPolarHBondContact O-CD 3.21Å; N444-P446 VanDerWaalsContact O-N 3.08Å
445	V	69.4	Low	76.1	Confident	80 Å²	80	89 Å²	89	49%	0.485	52%	0.519	S	S	.	.			trans	-49.8	120.4	176.9	-172.8	0	0	0	0	109.4	I447	V445-I447 PolarHBondContact O-N 3.39Å
446	P	62.4	Low	75.8	Confident	72 Å²	72	85.2 Å²	85.2	47%	0.468	50%	0.499	S	S	.	.			trans	-62.8	115.6	-178	20.3	-29	0	0	0	109.5	Y417 N444	Y417-P446 VanDerWaalsContact CD1-CD 3.44Å; Y417-P446 HydrophobicContact CD1-CG 3.65Å; Y417-P446 HydrophobicContact CE1-CG 3.58Å; Y417-P446 HydrophobicContact CG-CG 4.24Å; N444-P446 WeakPolarHBondContact O-CD 3.21Å; N444-P446 VanDerWaalsContact O-N 3.08Å
447	I	53.7	Low	75.3	Confident	160 Å²	160	91 Å²	91	82%	0.821	53%	0.526	S	S	*	.			trans	-62.9	131.9	159	-55	171.8	0	0	0	104.9	V445 A449	V445-I447 PolarHBondContact O-N 3.39Å; I447-A449 PolarHBondContact O-N 3.09Å
448	A	53.3	Low	75	Confident	91 Å²	91	92.7 Å²	92.7	75%	0.752	53%	0.534	S	S	*	.	S	Bend	trans	-14.2	121.6	-174.1	0	0	0	0	0	114.5
449	A	53.8	Low	74.8	Confident	88 Å²	88	90.9 Å²	90.9	73%	0.727	52%	0.519	S	S	*	.			trans	-45.8	128.5	-172.2	0	0	0	0	0	110.8	I447	I447-A449 PolarHBondContact O-N 3.09Å
450	P	55.7	Low	74.5	Confident	115 Å²	115	92.5 Å²	92.5	75%	0.747	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-54.7	146.3	179	20.6	-30.6	0	0	0	109.7	K452	P450-K452 PolarHBondContact O-N 2.99Å
451	P	59.6	Low	74.4	Confident	124 Å²	124	92.9 Å²	92.9	81%	0.805	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-54.3	131.8	-177.6	20.8	-31.3	0	0	0	109.7
452	K	67.3	Low	74.4	Confident	185 Å²	185	89.6 Å²	89.6	80%	0.804	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-52.5	131.3	178.8	-169.7	179	178.8	-175.4	0	108.6	P450 K454	P450-K452 PolarHBondContact O-N 2.99Å; K452-K454 PolarHBondContact O-N 2.99Å
453	P	71.3	Confident	74.3	Confident	92 Å²	92	94.4 Å²	94.4	60%	0.597	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-53.7	138.4	174.6	-22.6	31	0	0	0	110.2
454	K	82.7	Confident	74.3	Confident	99 Å²	99	92.6 Å²	92.6	43%	0.43	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-62.5	139.6	175.1	-66.7	-177.6	-174.5	175.3	0	109.9	K452 E458 L459 E462	K452-K454 PolarHBondContact O-N 2.99Å; K454-E458 WeakPolarHBondContact CA-OE2 3.34Å; K454-E458 HydrophobicContact CB-CB 4.18Å; K454-L459 HydrophobicContact CB-CD2 4.23Å; K454-L459 HydrophobicContact CB-CG 4.17Å; K454-L459 HydrophobicContact CD-CD2 4.24Å; K454-E462 IonicContact NZ-OE1 2.77Å; K454-E462 PolarHBondContact NZ-OE1 3.45Å; K454-E462 IonicContact NZ-OE2 2.65Å
455	T	84.8	Confident	74.5	Confident	49 Å²	49	93.1 Å²	93.1	30%	0.301	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-66.4	163.2	173.1	62.7	0	0	0	0	110.9	Q457 E458 L459	T455-Q457 VanDerWaalsContact C-N 3.26Å; T455-Q457 PolarHBondContact O-N 3.08Å; T455-E458 PolarHBondContact N-OE2 3.03Å; T455-E458 PolarHBondContact O-N 3.13Å; T455-E458 WeakPolarHBondContact OG1-CG 3.43Å; T455-E458 PolarHBondContact OG1-N 2.94Å; T455-E458 PolarHBondContact OG1-OE2 2.89Å; T455-L459 PolarHBondContact O-N 2.84Å
456	V	85.6	Confident	75.5	Confident	6 Å²	6	96.7 Å²	96.7	4%	0.036	55%	0.552	C	S	.	*	H	α-helix	trans	-59.3	-39.5	177.2	-175.6	0	0	0	0	111.6	E458 L459 E460 Q1018 P1021 A1026	V456-E458 PolarHBondContact O-N 2.78Å; V456-L459 PolarHBondContact O-N 3Å; V456-E460 HydrophobicContact CG1-CG 4.49Å; V456-E460 WeakPolarHBondContact O-CG 3.15Å; V456-E460 PolarHBondContact O-N 3.06Å; V456-Q1018 PolarHBondContact N-O 3.27Å; V456-P1021 HydrophobicContact CG2-CB 4.26Å; V456-A1026 HydrophobicContact CG2-CB 4.19Å
457	Q	83.8	Confident	76.8	Confident	144 Å²	144	96.9 Å²	96.9	67%	0.673	55%	0.552	S	S	*	*	H	α-helix	trans	-63.2	-40.9	179.4	-71.9	-179.7	-12.9	0	0	112.7	T455 L459 E460 A461	T455-Q457 VanDerWaalsContact C-N 3.26Å; T455-Q457 PolarHBondContact O-N 3.08Å; Q457-L459 VanDerWaalsContact C-N 3.34Å; Q457-L459 PolarHBondContact O-N 3.23Å; Q457-E460 PolarHBondContact O-N 2.99Å; Q457-A461 WeakPolarHBondContact O-CB 3.45Å; Q457-A461 PolarHBondContact O-N 3.07Å
458	E	85.4	Confident	78.7	Confident	99 Å²	99	91.9 Å²	91.9	46%	0.463	53%	0.531	S	S	.	.	H	α-helix	trans	-64.3	-39.5	177	-72.2	167.1	134.8	0	0	111.6	K454 T455 V456 A461 E462	K454-E458 WeakPolarHBondContact CA-OE2 3.34Å; K454-E458 HydrophobicContact CB-CB 4.18Å; T455-E458 PolarHBondContact N-OE2 3.03Å; T455-E458 PolarHBondContact O-N 3.13Å; T455-E458 WeakPolarHBondContact OG1-CG 3.43Å; T455-E458 PolarHBondContact OG1-N 2.94Å; T455-E458 PolarHBondContact OG1-OE2 2.89Å; V456-E458 PolarHBondContact O-N 2.78Å; E458-A461 PolarHBondContact O-N 2.76Å; E458-E462 PolarHBondContact O-N 3.22Å; E458-E462 VanDerWaalsContact O-N 3.08Å
459	L	85.9	Confident	80.7	Confident	59 Å²	59	92.5 Å²	92.5	31%	0.309	53%	0.528	S	S	.	.	H	α-helix	trans	-68.1	-36.2	176.3	-66.3	170.6	0	0	0	112.3	K454 T455 V456 Q457 K463 P1021	K454-L459 HydrophobicContact CB-CD2 4.23Å; K454-L459 HydrophobicContact CB-CG 4.17Å; K454-L459 HydrophobicContact CD-CD2 4.24Å; T455-L459 PolarHBondContact O-N 2.84Å; V456-L459 PolarHBondContact O-N 3Å; Q457-L459 VanDerWaalsContact C-N 3.34Å; Q457-L459 PolarHBondContact O-N 3.23Å; L459-K463 WeakPolarHBondContact O-CG 3.38Å; L459-K463 PolarHBondContact O-N 3.46Å; L459-K463 VanDerWaalsContact O-N 3.1Å; L459-P1021 HydrophobicContact CD1-CB 3.55Å; L459-P1021 HydrophobicContact CD1-CG 4.05Å
460	E	83.4	Confident	82.7	Confident	76 Å²	76	95.5 Å²	95.5	36%	0.355	53%	0.525	S	S	.	.	H	α-helix	trans	-67.9	-40.5	173.5	-75.8	-177.4	175.8	0	0	112.2	V456 Q457 E462 K463 A464 S897	V456-E460 HydrophobicContact CG1-CG 4.49Å; V456-E460 WeakPolarHBondContact O-CG 3.15Å; V456-E460 PolarHBondContact O-N 3.06Å; Q457-E460 PolarHBondContact O-N 2.99Å; E460-E462 VanDerWaalsContact C-N 3.3Å; E460-E462 PolarHBondContact O-N 2.95Å; E460-K463 PolarHBondContact O-N 3.29Å; E460-A464 WeakPolarHBondContact O-CB 3.18Å; E460-A464 PolarHBondContact O-N 3.24Å; E460-S897 VanDerWaalsContact OE1-CB 3.29Å; E460-S897 WeakPolarHBondContact OE1-CB 3.23Å; E460-S897 PolarHBondContact OE1-OG 2.85Å
461	A	85.8	Confident	84.6	Confident	62 Å²	62	96 Å²	96	51%	0.512	52%	0.515	S	S	.	.	H	α-helix	trans	-60.3	-40.4	174.7	0	0	0	0	0	111.7	Q457 E458 A464 S465	Q457-A461 WeakPolarHBondContact O-CB 3.45Å; Q457-A461 PolarHBondContact O-N 3.07Å; E458-A461 PolarHBondContact O-N 2.76Å; A461-A464 PolarHBondContact O-N 2.89Å; A461-S465 WeakPolarHBondContact O-CB 3.46Å; A461-S465 PolarHBondContact O-N 3.1Å
462	E	86.3	Confident	86.2	Confident	79 Å²	79	92.2 Å²	92.2	37%	0.369	49%	0.494	S	S	.	.	H	α-helix	trans	-63.2	-47	173.5	-74.9	-178.5	174.2	0	0	112	K454 E458 E460 A464 S465 Q466	K454-E462 IonicContact NZ-OE1 2.77Å; K454-E462 PolarHBondContact NZ-OE1 3.45Å; K454-E462 IonicContact NZ-OE2 2.65Å; E458-E462 PolarHBondContact O-N 3.22Å; E458-E462 VanDerWaalsContact O-N 3.08Å; E460-E462 VanDerWaalsContact C-N 3.3Å; E460-E462 PolarHBondContact O-N 2.95Å; E462-A464 VanDerWaalsContact C-N 3.31Å; E462-A464 PolarHBondContact O-N 3.45Å; E462-S465 PolarHBondContact O-N 3.31Å; E462-S465 PolarHBondContact O-OG 3.02Å; E462-Q466 WeakPolarHBondContact O-CG 3.46Å; E462-Q466 PolarHBondContact O-N 3.19Å
463	K	84.8	Confident	87.6	Confident	115 Å²	115	88 Å²	88	50%	0.5	48%	0.484	S	S	.	.	H	α-helix	trans	-59.2	-41.7	175.3	-74.8	176.8	-177.5	172.1	0	112	L459 E460 Q466	L459-K463 WeakPolarHBondContact O-CG 3.38Å; L459-K463 PolarHBondContact O-N 3.46Å; L459-K463 VanDerWaalsContact O-N 3.1Å; E460-K463 PolarHBondContact O-N 3.29Å; K463-Q466 PolarHBondContact O-N 3.3Å
464	A	84.1	Confident	88.8	Confident	67 Å²	67	87.9 Å²	87.9	55%	0.554	48%	0.478	S	S	*	.	H	α-helix	trans	-64.9	-40.7	177.8	0	0	0	0	0	111.7	E460 A461 E462 Q466 V467	E460-A464 WeakPolarHBondContact O-CB 3.18Å; E460-A464 PolarHBondContact O-N 3.24Å; A461-A464 PolarHBondContact O-N 2.89Å; E462-A464 VanDerWaalsContact C-N 3.31Å; E462-A464 PolarHBondContact O-N 3.45Å; A464-Q466 PolarHBondContact O-N 2.99Å; A464-V467 PolarHBondContact O-N 3.42Å
465	S	85.7	Confident	89.4	Confident	94 Å²	94	86.7 Å²	86.7	66%	0.657	48%	0.479	S	S	*	.	H	α-helix	trans	-65.6	-22.3	178.9	76.3	0	0	0	0	114.3	A461 E462 V467	A461-S465 WeakPolarHBondContact O-CB 3.46Å; A461-S465 PolarHBondContact O-N 3.1Å; E462-S465 PolarHBondContact O-N 3.31Å; E462-S465 PolarHBondContact O-OG 3.02Å; S465-V467 VanDerWaalsContact C-N 3.3Å; S465-V467 PolarHBondContact O-N 3.46Å
466	Q	89.4	Confident	89.9	Confident	154 Å²	154	87.7 Å²	87.7	72%	0.72	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-15.3	178.2	-70.1	173.9	11.1	0	0	113.5	E462 K463 A464 S468	E462-Q466 WeakPolarHBondContact O-CG 3.46Å; E462-Q466 PolarHBondContact O-N 3.19Å; K463-Q466 PolarHBondContact O-N 3.3Å; A464-Q466 PolarHBondContact O-N 2.99Å; Q466-S468 PolarHBondContact O-N 3.21Å
467	V	90.3	Very high	90.5	Very high	76 Å²	76	89.7 Å²	89.7	46%	0.461	50%	0.502	S	S	.	.	S	Bend	trans	-79.5	108.5	177.9	-176.1	0	0	0	0	109.1	A464 S465 K471 A472	A464-V467 PolarHBondContact O-N 3.42Å; S465-V467 VanDerWaalsContact C-N 3.3Å; S465-V467 PolarHBondContact O-N 3.46Å; V467-K471 HydrophobicContact CG1-CB 4.5Å; V467-A472 HydrophobicContact CG1-CB 4.32Å
468	S	94.1	Very high	91.2	Very high	55 Å²	55	86.1 Å²	86.1	39%	0.385	49%	0.493	S	S	.	.			trans	-64.6	147.2	178.5	72.9	0	0	0	0	111.9	Q466 F470 K471 A472	Q466-S468 PolarHBondContact O-N 3.21Å; S468-F470 PolarHBondContact O-N 3.03Å; S468-F470 VanDerWaalsContact O-N 3.12Å; S468-K471 PolarHBondContact O-N 2.95Å; S468-K471 PolarHBondContact OG-N 2.9Å; S468-A472 PolarHBondContact O-N 2.6Å; S468-A472 VanDerWaalsContact O-N 3.09Å
469	P	94.8	Very high	91.7	Very high	105 Å²	105	87.4 Å²	87.4	68%	0.682	50%	0.502	S	S	*	.	H	α-helix	trans	-54.6	-33.1	175.8	-28.1	35.2	0	0	0	113.3	T473	P469-T473 WeakPolarHBondContact O-CB 3.46Å; P469-T473 PolarHBondContact O-N 3.39Å; P469-T473 PolarHBondContact O-OG1 3.47Å
470	F	96.6	Very high	92.2	Very high	150 Å²	150	92.6 Å²	92.6	66%	0.658	52%	0.519	S	S	*	.	H	α-helix	trans	-61.8	-49.4	173.9	176.4	-97.4	0	0	0	112	S468 A472 T473 L474	S468-F470 PolarHBondContact O-N 3.03Å; S468-F470 VanDerWaalsContact O-N 3.12Å; F470-A472 VanDerWaalsContact C-N 3.34Å; F470-A472 PolarHBondContact O-N 3.26Å; F470-T473 PolarHBondContact O-N 2.89Å; F470-L474 HydrophobicContact CE1-CD2 4.04Å; F470-L474 HydrophobicContact CZ-CD2 4.34Å; F470-L474 WeakPolarHBondContact O-CB 3.38Å; F470-L474 PolarHBondContact O-N 3.34Å
471	K	95.1	Very high	92.8	Very high	127 Å²	127	93.6 Å²	93.6	55%	0.552	53%	0.531	S	S	*	.	H	α-helix	trans	-64.9	-38.9	-179.1	-171.6	177.6	179.7	-177.3	0	111.6	V467 S468 T475	V467-K471 HydrophobicContact CG1-CB 4.5Å; S468-K471 PolarHBondContact O-N 2.95Å; S468-K471 PolarHBondContact OG-N 2.9Å; K471-T475 WeakPolarHBondContact O-CB 3.39Å; K471-T475 PolarHBondContact O-N 3.01Å; K471-T475 PolarHBondContact O-OG1 2.9Å
472	A	93	Very high	93.3	Very high	44 Å²	44	92.6 Å²	92.6	36%	0.364	53%	0.526	S	S	.	.	H	α-helix	trans	-62.3	-46.3	174.6	0	0	0	0	0	111.7	V467 S468 F470 T475 T476	V467-A472 HydrophobicContact CG1-CB 4.32Å; S468-A472 PolarHBondContact O-N 2.6Å; S468-A472 VanDerWaalsContact O-N 3.09Å; F470-A472 VanDerWaalsContact C-N 3.34Å; F470-A472 PolarHBondContact O-N 3.26Å; A472-T475 PolarHBondContact O-N 2.9Å; A472-T476 WeakPolarHBondContact O-CB 3.29Å; A472-T476 PolarHBondContact O-N 3Å; A472-T476 PolarHBondContact O-OG1 3.42Å
473	T	96.4	Very high	93.7	Very high	96 Å²	96	90.6 Å²	90.6	59%	0.589	53%	0.527	S	S	*	.	H	α-helix	trans	-63.9	-45.6	177.5	-55.1	0	0	0	0	111.5	P469 F470 T475 T476 A477	P469-T473 WeakPolarHBondContact O-CB 3.46Å; P469-T473 PolarHBondContact O-N 3.39Å; P469-T473 PolarHBondContact O-OG1 3.47Å; F470-T473 PolarHBondContact O-N 2.89Å; T473-T475 PolarHBondContact O-N 3.45Å; T473-T476 PolarHBondContact O-N 2.94Å; T473-A477 WeakPolarHBondContact O-CB 3.29Å; T473-A477 PolarHBondContact O-N 3.48Å
474	L	97.6	Very high	94.2	Very high	89 Å²	89	90 Å²	90	47%	0.466	53%	0.528	S	S	.	.	H	α-helix	trans	-60.6	-47.1	178	180	62.2	0	0	0	111.4	F470 T476 A477 S478	F470-L474 HydrophobicContact CE1-CD2 4.04Å; F470-L474 HydrophobicContact CZ-CD2 4.34Å; F470-L474 WeakPolarHBondContact O-CB 3.38Å; F470-L474 PolarHBondContact O-N 3.34Å; L474-T476 VanDerWaalsContact C-N 3.3Å; L474-T476 PolarHBondContact O-N 3.21Å; L474-A477 PolarHBondContact O-N 3.42Å; L474-S478 WeakPolarHBondContact O-CB 3.48Å; L474-S478 PolarHBondContact O-N 2.93Å; L474-S478 PolarHBondContact O-OG 3.44Å
475	T	94.9	Very high	94.9	Very high	74 Å²	74	88.6 Å²	88.6	45%	0.454	52%	0.521	S	S	.	.	H	α-helix	trans	-58.8	-44.3	178	-56.4	0	0	0	0	110.9	K471 A472 T473 S478 L479	K471-T475 WeakPolarHBondContact O-CB 3.39Å; K471-T475 PolarHBondContact O-N 3.01Å; K471-T475 PolarHBondContact O-OG1 2.9Å; A472-T475 PolarHBondContact O-N 2.9Å; T473-T475 PolarHBondContact O-N 3.45Å; T475-S478 PolarHBondContact O-N 2.73Å; T475-L479 HydrophobicContact CG2-CD1 4.33Å; T475-L479 WeakPolarHBondContact O-CG 3.5Å; T475-L479 PolarHBondContact O-N 2.87Å
476	T	95.9	Very high	95.3	Very high	71 Å²	71	88.3 Å²	88.3	44%	0.436	52%	0.515	S	S	.	.	H	α-helix	trans	-62.8	-50	177.5	-57.3	0	0	0	0	111.4	A472 T473 L474 S478 L479 Y480	A472-T476 WeakPolarHBondContact O-CB 3.29Å; A472-T476 PolarHBondContact O-N 3Å; A472-T476 PolarHBondContact O-OG1 3.42Å; T473-T476 PolarHBondContact O-N 2.94Å; L474-T476 VanDerWaalsContact C-N 3.3Å; L474-T476 PolarHBondContact O-N 3.21Å; T476-S478 VanDerWaalsContact C-N 3.32Å; T476-S478 PolarHBondContact O-N 3.49Å; T476-L479 PolarHBondContact O-N 3.43Å; T476-Y480 HydrophobicContact CG2-CD2 3.82Å; T476-Y480 HydrophobicContact CG2-CE2 3.53Å; T476-Y480 WeakPolarHBondContact O-CD2 3.35Å; T476-Y480 PolarHBondContact O-N 2.96Å; T476-Y480 VanDerWaalsContact O-N 3.1Å
477	A	97.6	Very high	95.5	Very high	47 Å²	47	86.5 Å²	86.5	39%	0.388	51%	0.51	S	S	.	.	H	α-helix	trans	-60.9	-39.6	178.3	0	0	0	0	0	112.2	T473 L474 Y480 T481	T473-A477 WeakPolarHBondContact O-CB 3.29Å; T473-A477 PolarHBondContact O-N 3.48Å; L474-A477 PolarHBondContact O-N 3.42Å; A477-Y480 PolarHBondContact O-N 3.05Å; A477-T481 WeakPolarHBondContact O-CB 3.47Å; A477-T481 PolarHBondContact O-N 2.87Å; A477-T481 PolarHBondContact O-OG1 3.38Å
478	S	97.5	Very high	95.7	Very high	69 Å²	69	88.5 Å²	88.5	48%	0.483	52%	0.517	S	S	.	.	H	α-helix	trans	-64.1	-41.3	175.4	-64.2	0	0	0	0	112.3	L474 T475 T476 T481 G482	L474-S478 WeakPolarHBondContact O-CB 3.48Å; L474-S478 PolarHBondContact O-N 2.93Å; L474-S478 PolarHBondContact O-OG 3.44Å; T475-S478 PolarHBondContact O-N 2.73Å; T476-S478 VanDerWaalsContact C-N 3.32Å; T476-S478 PolarHBondContact O-N 3.49Å; S478-T481 PolarHBondContact O-N 3.36Å; S478-G482 PolarHBondContact O-N 3.14Å
479	L	95.6	Very high	95.8	Very high	126 Å²	126	87.6 Å²	87.6	66%	0.66	52%	0.516	S	S	*	.	H	α-helix	trans	-61.3	-48.5	175.9	-74.4	167.5	0	0	0	111.6	T475 T476 T481 G482 G483	T475-L479 HydrophobicContact CG2-CD1 4.33Å; T475-L479 WeakPolarHBondContact O-CG 3.5Å; T475-L479 PolarHBondContact O-N 2.87Å; T476-L479 PolarHBondContact O-N 3.43Å; L479-T481 PolarHBondContact O-N 2.94Å; L479-G482 PolarHBondContact O-N 3.3Å; L479-G483 PolarHBondContact O-N 3.08Å
480	Y	96.5	Very high	95.8	Very high	168 Å²	168	85.8 Å²	85.8	66%	0.659	50%	0.501	S	S	*	.	H	α-helix	trans	-63.4	-40.8	176.4	-76.6	-70	0	0	0	112.5	T476 A477 G482 G483 I484	T476-Y480 HydrophobicContact CG2-CD2 3.82Å; T476-Y480 HydrophobicContact CG2-CE2 3.53Å; T476-Y480 WeakPolarHBondContact O-CD2 3.35Å; T476-Y480 PolarHBondContact O-N 2.96Å; T476-Y480 VanDerWaalsContact O-N 3.1Å; A477-Y480 PolarHBondContact O-N 3.05Å; Y480-G482 VanDerWaalsContact C-N 3.33Å; Y480-G482 PolarHBondContact O-N 3.4Å; Y480-G483 PolarHBondContact O-N 3.04Å; Y480-I484 WeakPolarHBondContact O-CG1 3.41Å; Y480-I484 PolarHBondContact O-N 2.98Å
481	T	97.6	Very high	95.7	Very high	97 Å²	97	80.9 Å²	80.9	60%	0.595	49%	0.493	S	S	*	.	H	α-helix	trans	-61	-42.9	176.4	-58.9	0	0	0	0	111.1	A477 S478 L479 G485	A477-T481 WeakPolarHBondContact O-CB 3.47Å; A477-T481 PolarHBondContact O-N 2.87Å; A477-T481 PolarHBondContact O-OG1 3.38Å; S478-T481 PolarHBondContact O-N 3.36Å; L479-T481 PolarHBondContact O-N 2.94Å; T481-G485 PolarHBondContact O-N 2.85Å
482	G	96.3	Very high	95.6	Very high	41 Å²	41	82.4 Å²	82.4	42%	0.423	51%	0.506	S	S	.	.	H	α-helix	trans	-62.3	-42.1	174.5	0	0	0	0	0	112.9	S478 L479 Y480 G485 T486	S478-G482 PolarHBondContact O-N 3.14Å; L479-G482 PolarHBondContact O-N 3.3Å; Y480-G482 VanDerWaalsContact C-N 3.33Å; Y480-G482 PolarHBondContact O-N 3.4Å; G482-G485 PolarHBondContact O-N 2.97Å; G482-T486 PolarHBondContact O-N 2.91Å; G482-T486 PolarHBondContact O-OG1 3.41Å
483	G	94.1	Very high	95.5	Very high	37 Å²	37	84 Å²	84	38%	0.381	52%	0.515	S	S	.	.	H	α-helix	trans	-61.7	-50.5	175.6	0	0	0	0	0	112.9	L479 Y480 G485 T486 L487	L479-G483 PolarHBondContact O-N 3.08Å; Y480-G483 PolarHBondContact O-N 3.04Å; G483-G485 VanDerWaalsContact C-N 3.35Å; G483-G485 PolarHBondContact O-N 3.4Å; G483-T486 WeakPolarHBondContact O-CB 3.46Å; G483-T486 PolarHBondContact O-N 3.2Å; G483-L487 PolarHBondContact O-N 3.31Å; G483-L487 VanDerWaalsContact O-N 3.12Å
484	I	96.3	Very high	95.5	Very high	102 Å²	102	80.9 Å²	80.9	52%	0.523	50%	0.498	S	S	.	.	H	α-helix	trans	-62.3	-43	177.3	-66	168.1	0	0	0	110.7	Y480 T486 L487 L488	Y480-I484 WeakPolarHBondContact O-CG1 3.41Å; Y480-I484 PolarHBondContact O-N 2.98Å; I484-T486 VanDerWaalsContact C-N 3.29Å; I484-T486 PolarHBondContact O-N 2.95Å; I484-L487 PolarHBondContact O-N 3.13Å; I484-L488 HydrophobicContact CG2-CD1 4.36Å; I484-L488 PolarHBondContact O-N 2.98Å
485	G	97.3	Very high	95.3	Very high	39 Å²	39	78.9 Å²	78.9	40%	0.402	49%	0.491	S	S	.	.	H	α-helix	trans	-59.5	-39.2	176.2	0	0	0	0	0	112.8	T481 G482 G483 L488 G489	T481-G485 PolarHBondContact O-N 2.85Å; G482-G485 PolarHBondContact O-N 2.97Å; G483-G485 VanDerWaalsContact C-N 3.35Å; G483-G485 PolarHBondContact O-N 3.4Å; G485-L488 PolarHBondContact O-N 3.36Å; G485-G489 PolarHBondContact O-N 2.74Å
486	T	94.6	Very high	95.2	Very high	88 Å²	88	78.6 Å²	78.6	54%	0.54	49%	0.486	S	S	.	.	H	α-helix	trans	-65.1	-42.5	176.1	-56.8	0	0	0	0	111.6	G482 G483 I484 L488 G489 L490	G482-T486 PolarHBondContact O-N 2.91Å; G482-T486 PolarHBondContact O-OG1 3.41Å; G483-T486 WeakPolarHBondContact O-CB 3.46Å; G483-T486 PolarHBondContact O-N 3.2Å; I484-T486 VanDerWaalsContact C-N 3.29Å; I484-T486 PolarHBondContact O-N 2.95Å; T486-L488 PolarHBondContact O-N 2.62Å; T486-G489 PolarHBondContact O-N 3.49Å; T486-L490 HydrophobicContact CG2-CD1 4.37Å; T486-L490 WeakPolarHBondContact O-CG 3.38Å; T486-L490 PolarHBondContact O-N 3.09Å
487	L	93.4	Very high	95.2	Very high	116 Å²	116	78.8 Å²	78.8	61%	0.607	50%	0.495	S	S	*	.	H	α-helix	trans	-61.8	-43.4	176.2	-69.9	173.2	0	0	0	112.1	G483 I484 L490 G491	G483-L487 PolarHBondContact O-N 3.31Å; G483-L487 VanDerWaalsContact O-N 3.12Å; I484-L487 PolarHBondContact O-N 3.13Å; L487-L490 PolarHBondContact O-N 3.34Å; L487-G491 PolarHBondContact O-N 3.07Å
488	L	95.6	Very high	95	Very high	117 Å²	117	78.1 Å²	78.1	61%	0.613	49%	0.49	S	S	*	.	H	α-helix	trans	-62.7	-43.3	174.7	-68.6	174.6	0	0	0	111.4	I484 G485 T486 G491 L492	I484-L488 HydrophobicContact CG2-CD1 4.36Å; I484-L488 PolarHBondContact O-N 2.98Å; G485-L488 PolarHBondContact O-N 3.36Å; T486-L488 PolarHBondContact O-N 2.62Å; L488-G491 PolarHBondContact O-N 3.22Å; L488-L492 WeakPolarHBondContact O-CG 3.41Å; L488-L492 PolarHBondContact O-N 3.28Å
489	G	95.8	Very high	94.9	Very high	36 Å²	36	76 Å²	76	37%	0.371	47%	0.472	S	S	.	.	H	α-helix	trans	-59	-46.6	176.5	0	0	0	0	0	112.9	G485 T486 G491 L492 S493	G485-G489 PolarHBondContact O-N 2.74Å; T486-G489 PolarHBondContact O-N 3.49Å; G489-G491 VanDerWaalsContact C-N 3.31Å; G489-G491 PolarHBondContact O-N 2.95Å; G489-L492 PolarHBondContact O-N 2.79Å; G489-S493 PolarHBondContact O-N 3.44Å; G489-S493 PolarHBondContact O-OG 3.28Å
490	L	94.6	Very high	94.9	Very high	67 Å²	67	73.1 Å²	73.1	35%	0.351	46%	0.46	S	S	.	.	H	α-helix	trans	-63.4	-35.8	175.4	-70.7	174.5	0	0	0	112.5	T486 L487 S493 A494 F499	T486-L490 HydrophobicContact CG2-CD1 4.37Å; T486-L490 WeakPolarHBondContact O-CG 3.38Å; T486-L490 PolarHBondContact O-N 3.09Å; L487-L490 PolarHBondContact O-N 3.34Å; L490-S493 WeakPolarHBondContact CA-OG 3.39Å; L490-S493 PolarHBondContact O-N 3.35Å; L490-S493 PolarHBondContact O-OG 2.89Å; L490-A494 PolarHBondContact O-N 3.2Å; L490-F499 HydrophobicContact CD2-CZ 4.38Å
491	G	93.9	Very high	94.8	Very high	48 Å²	48	70.9 Å²	70.9	50%	0.495	46%	0.455	S	S	.	.	H	α-helix	trans	-65.5	-41.5	174.4	0	0	0	0	0	112.5	L487 L488 G489 S493 A494	L487-G491 PolarHBondContact O-N 3.07Å; L488-G491 PolarHBondContact O-N 3.22Å; G489-G491 VanDerWaalsContact C-N 3.31Å; G489-G491 PolarHBondContact O-N 2.95Å; G491-S493 VanDerWaalsContact C-N 3.34Å; G491-A494 WeakPolarHBondContact O-CB 3.43Å; G491-A494 PolarHBondContact O-N 3.46Å
492	L	94.2	Very high	94.8	Very high	159 Å²	159	66.5 Å²	66.5	83%	0.832	43%	0.428	S	S	*	.	H	α-helix	trans	-69.8	-29.5	177.4	-69.5	172	0	0	0	112.9	L488 G489	L488-L492 WeakPolarHBondContact O-CG 3.41Å; L488-L492 PolarHBondContact O-N 3.28Å; G489-L492 PolarHBondContact O-N 2.79Å
493	S	90.8	Very high	94.8	Very high	77 Å²	77	66 Å²	66	54%	0.538	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	2	178.6	65.4	0	0	0	0	114.2	G489 L490 G491 P495	G489-S493 PolarHBondContact O-N 3.44Å; G489-S493 PolarHBondContact O-OG 3.28Å; L490-S493 WeakPolarHBondContact CA-OG 3.39Å; L490-S493 PolarHBondContact O-N 3.35Å; L490-S493 PolarHBondContact O-OG 2.89Å; G491-S493 VanDerWaalsContact C-N 3.34Å; S493-P495 WeakPolarHBondContact O-CD 3.38Å
494	A	94.9	Very high	94.9	Very high	30 Å²	30	67.4 Å²	67.4	25%	0.248	42%	0.418	C	S	.	.			trans	-69.9	119.7	-177.8	0	0	0	0	0	111.6	L490 G491 F499	L490-A494 PolarHBondContact O-N 3.2Å; G491-A494 WeakPolarHBondContact O-CB 3.43Å; G491-A494 PolarHBondContact O-N 3.46Å; A494-F499 HydrophobicContact CB-CD1 3.68Å; A494-F499 HydrophobicContact CB-CE1 4.28Å
495	P	93.6	Very high	94.9	Very high	47 Å²	47	64.2 Å²	64.2	31%	0.305	40%	0.404	S	S	.	.	S	Bend	trans	-77.5	-23.9	179.3	31.4	-36.3	0	0	0	112.9	S493 A735 L738	S493-P495 WeakPolarHBondContact O-CD 3.38Å; P495-A735 HydrophobicContact CB-CB 4.2Å; P495-A735 HydrophobicContact CG-CB 4.2Å; P495-L738 HydrophobicContact CG-CB 3.89Å; P495-L738 HydrophobicContact CG-CD2 3.59Å; P495-L738 HydrophobicContact CG-CG 4.34Å
496	N	94.2	Very high	95	Very high	68 Å²	68	65.4 Å²	65.4	36%	0.364	40%	0.398	S	S	.	.	S	Bend	trans	-158.6	171.2	-176.8	60.8	39.7	0	0	0	111.6	A498 F499	N496-A498 VanDerWaalsContact C-N 3.31Å; N496-A498 PolarHBondContact O-N 2.81Å; N496-A498 WeakPolarHBondContact OD1-CB 3.43Å; N496-A498 PolarHBondContact OD1-N 2.86Å; N496-F499 PolarHBondContact O-N 3.42Å; N496-F499 PolarHBondContact OD1-N 3.28Å
497	A	94.1	Very high	95.1	Very high	75 Å²	75	62.8 Å²	62.8	62%	0.62	39%	0.389	S	S	*	.	H	α-helix	trans	-67	-29.5	179.4	0	0	0	0	0	113.3	F499 T500 Q501	A497-F499 VanDerWaalsContact C-N 3.33Å; A497-F499 PolarHBondContact O-N 3.09Å; A497-T500 PolarHBondContact O-N 2.84Å; A497-Q501 WeakPolarHBondContact O-CG 3.47Å; A497-Q501 PolarHBondContact O-N 3.26Å
498	A	93.8	Very high	95.3	Very high	34 Å²	34	62.6 Å²	62.6	28%	0.281	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-41.4	-179.9	0	0	0	0	0	111.3	N496 T500 Q501 M502	N496-A498 VanDerWaalsContact C-N 3.31Å; N496-A498 PolarHBondContact O-N 2.81Å; N496-A498 WeakPolarHBondContact OD1-CB 3.43Å; N496-A498 PolarHBondContact OD1-N 2.86Å; A498-T500 PolarHBondContact O-N 2.82Å; A498-Q501 PolarHBondContact O-N 2.7Å; A498-M502 WeakPolarHBondContact O-CB 3.34Å; A498-M502 PolarHBondContact O-N 2.86Å
499	F	95.3	Very high	95.4	Very high	23 Å²	23	57.5 Å²	57.5	10%	0.101	36%	0.363	C	S	.	.	H	α-helix	trans	-58.2	-47.1	173.5	178.6	-108.9	0	0	0	112	L490 A494 N496 A497 Q501 M502 V503 L738 F852	L490-F499 HydrophobicContact CD2-CZ 4.38Å; A494-F499 HydrophobicContact CB-CD1 3.68Å; A494-F499 HydrophobicContact CB-CE1 4.28Å; N496-F499 PolarHBondContact O-N 3.42Å; N496-F499 PolarHBondContact OD1-N 3.28Å; A497-F499 VanDerWaalsContact C-N 3.33Å; A497-F499 PolarHBondContact O-N 3.09Å; F499-Q501 VanDerWaalsContact C-N 3.34Å; F499-Q501 PolarHBondContact O-N 3.17Å; F499-M502 PolarHBondContact O-N 2.86Å; F499-V503 HydrophobicContact CD1-CG2 4.27Å; F499-V503 HydrophobicContact CD2-CG2 4.24Å; F499-V503 HydrophobicContact CE1-CG2 3.88Å; F499-V503 HydrophobicContact CE2-CG2 3.83Å; F499-V503 HydrophobicContact CG-CG2 4.46Å; F499-V503 HydrophobicContact CZ-CG2 3.64Å; F499-V503 WeakPolarHBondContact O-CG2 3.37Å; F499-V503 PolarHBondContact O-N 3.46Å; F499-L738 HydrophobicContact CB-CD2 3.89Å; F499-L738 HydrophobicContact CD2-CD1 3.79Å; F499-L738 HydrophobicContact CD2-CD2 3.51Å; F499-L738 HydrophobicContact CD2-CG 4.3Å; F499-L738 HydrophobicContact CE2-CD1 3.68Å; F499-L738 HydrophobicContact CE2-CD2 4.28Å; F499-L738 HydrophobicContact CG-CD2 3.87Å; F499-L738 HydrophobicContact CZ-CD1 4.39Å; F499-F852 HydrophobicContact CD2-CD1 4.31Å; F499-F852 HydrophobicContact CD2-CE1 4.47Å; F499-F852 HydrophobicContact CE2-CD1 4.29Å; F499-F852 HydrophobicContact CE2-CE1 4.28Å
500	T	95.1	Very high	95.4	Very high	66 Å²	66	56.8 Å²	56.8	41%	0.405	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-39.3	178.4	-48.6	0	0	0	0	112.3	A497 A498 V503 T504	A497-T500 PolarHBondContact O-N 2.84Å; A498-T500 PolarHBondContact O-N 2.82Å; T500-V503 PolarHBondContact O-N 2.98Å; T500-T504 WeakPolarHBondContact O-CB 3.48Å; T500-T504 PolarHBondContact O-N 3.44Å; T500-T504 PolarHBondContact O-OG1 2.82Å
501	Q	96.3	Very high	95.5	Very high	122 Å²	122	58.3 Å²	58.3	57%	0.57	36%	0.362	S	S	*	.	H	α-helix	trans	-64.8	-41	174.9	-67.5	-60.1	-24.1	0	0	111.8	A497 A498 F499 T504 T505	A497-Q501 WeakPolarHBondContact O-CG 3.47Å; A497-Q501 PolarHBondContact O-N 3.26Å; A498-Q501 PolarHBondContact O-N 2.7Å; F499-Q501 VanDerWaalsContact C-N 3.34Å; F499-Q501 PolarHBondContact O-N 3.17Å; Q501-T504 WeakPolarHBondContact O-CB 3.44Å; Q501-T504 PolarHBondContact O-N 3.33Å; Q501-T505 PolarHBondContact O-N 3.18Å; Q501-T505 PolarHBondContact O-OG1 3.43Å; Q501-T505 VanDerWaalsContact O-OG1 3.07Å
502	M	96.3	Very high	95.7	Very high	4 Å²	4	59 Å²	59	2%	0.02	36%	0.357	C	S	.	.	H	α-helix	trans	-67.3	-42.1	177.8	-163.4	64.9	69.5	0	0	111.7	A498 F499 T504 T505 F506 F852 N855 N857 T860	A498-M502 WeakPolarHBondContact O-CB 3.34Å; A498-M502 PolarHBondContact O-N 2.86Å; F499-M502 PolarHBondContact O-N 2.86Å; M502-T504 VanDerWaalsContact C-N 3.29Å; M502-T504 PolarHBondContact O-N 2.89Å; M502-T505 PolarHBondContact O-N 3.33Å; M502-F506 VanDerWaalsContact O-CB 3.25Å; M502-F506 WeakPolarHBondContact O-CB 3.32Å; M502-F506 PolarHBondContact O-N 2.66Å; M502-F852 HydrophobicContact CB-CD1 3.9Å; M502-F852 HydrophobicContact CB-CE1 3.71Å; M502-F852 HydrophobicContact CG-CD1 3.39Å; M502-F852 HydrophobicContact CG-CE1 3.4Å; M502-F852 HydrophobicContact CG-CG 4.24Å; M502-F852 HydrophobicContact CG-CZ 4.25Å; M502-N855 WeakPolarHBondContact CE-OD1 3.3Å; M502-N857 PolarHBondContact SD-OD1 3.26Å; M502-N857 VanDerWaalsContact SD-OD1 3.4Å; M502-T860 HydrophobicContact CG-CG2 3.71Å; M502-T860 HydrophobicContact SD-CG2 3.37Å; M502-T860 WeakPolarHBondContact SD-CG2 3.44Å; M502-T860 PolarHBondContact SD-OG1 3.38Å
503	V	96.9	Very high	95.7	Very high	30 Å²	30	51.4 Å²	51.4	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-39.4	173.9	170.9	0	0	0	0	111.1	F499 T500 F506 G507 F852	F499-V503 HydrophobicContact CD1-CG2 4.27Å; F499-V503 HydrophobicContact CD2-CG2 4.24Å; F499-V503 HydrophobicContact CE1-CG2 3.88Å; F499-V503 HydrophobicContact CE2-CG2 3.83Å; F499-V503 HydrophobicContact CG-CG2 4.46Å; F499-V503 HydrophobicContact CZ-CG2 3.64Å; F499-V503 WeakPolarHBondContact O-CG2 3.37Å; F499-V503 PolarHBondContact O-N 3.46Å; T500-V503 PolarHBondContact O-N 2.98Å; V503-F506 PolarHBondContact O-N 2.88Å; V503-G507 PolarHBondContact O-N 2.89Å; V503-F852 HydrophobicContact CG2-CE1 3.88Å; V503-F852 HydrophobicContact CG2-CZ 4.21Å
504	T	96.8	Very high	95.9	Very high	68 Å²	68	53.4 Å²	53.4	42%	0.417	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-49.3	175.9	-57.1	0	0	0	0	111	T500 Q501 M502 F506 G507 L508	T500-T504 WeakPolarHBondContact O-CB 3.48Å; T500-T504 PolarHBondContact O-N 3.44Å; T500-T504 PolarHBondContact O-OG1 2.82Å; Q501-T504 WeakPolarHBondContact O-CB 3.44Å; Q501-T504 PolarHBondContact O-N 3.33Å; M502-T504 VanDerWaalsContact C-N 3.29Å; M502-T504 PolarHBondContact O-N 2.89Å; T504-F506 PolarHBondContact O-N 2.99Å; T504-G507 PolarHBondContact O-N 2.83Å; T504-L508 HydrophobicContact CG2-CD1 4.24Å; T504-L508 WeakPolarHBondContact O-CG 3.31Å; T504-L508 PolarHBondContact O-N 2.81Å
505	T	96.6	Very high	96	Very high	35 Å²	35	58 Å²	58	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-61.9	-43.8	177.8	-59.8	0	0	0	0	111.4	Q501 M502 G507 L508 A509 I861	Q501-T505 PolarHBondContact O-N 3.18Å; Q501-T505 PolarHBondContact O-OG1 3.43Å; Q501-T505 VanDerWaalsContact O-OG1 3.07Å; M502-T505 PolarHBondContact O-N 3.33Å; T505-G507 PolarHBondContact O-N 2.71Å; T505-L508 PolarHBondContact O-N 2.92Å; T505-A509 WeakPolarHBondContact O-CB 3.47Å; T505-A509 PolarHBondContact O-N 3.22Å; T505-I861 HydrophobicContact CG2-CD1 4.01Å; T505-I861 HydrophobicContact CG2-CG1 3.65Å
506	F	97.4	Very high	96	Very high	63 Å²	63	56.9 Å²	56.9	28%	0.276	32%	0.322	S	S	.	.	H	α-helix	trans	-57.9	-47.4	174.7	167.7	-100.2	0	0	0	112.1	M502 V503 T504 A509 G510 W845 C848 F852 A864	M502-F506 VanDerWaalsContact O-CB 3.25Å; M502-F506 WeakPolarHBondContact O-CB 3.32Å; M502-F506 PolarHBondContact O-N 2.66Å; V503-F506 PolarHBondContact O-N 2.88Å; T504-F506 PolarHBondContact O-N 2.99Å; F506-A509 PolarHBondContact O-N 2.86Å; F506-G510 PolarHBondContact O-N 3.02Å; F506-W845 HydrophobicContact CE2-CE3 4.15Å; F506-W845 AromaticContact CE2-CZ3 3.8Å; F506-W845 HydrophobicContact CE2-CZ3 3.8Å; F506-W845 HydrophobicContact CZ-CE3 4.5Å; F506-W845 HydrophobicContact CZ-CZ3 4.05Å; F506-C848 HydrophobicContact CD2-CB 4.43Å; F506-C848 HydrophobicContact CE2-CB 4.27Å; F506-F852 HydrophobicContact CB-CE2 4.43Å; F506-F852 HydrophobicContact CB-CZ 3.87Å; F506-F852 HydrophobicContact CD1-CZ 4.43Å; F506-F852 HydrophobicContact CD2-CE2 4.23Å; F506-F852 HydrophobicContact CD2-CZ 4.46Å; F506-F852 HydrophobicContact CG-CE2 4.22Å; F506-F852 HydrophobicContact CG-CZ 4.01Å; F506-A864 HydrophobicContact CD2-CB 4.08Å; F506-A864 HydrophobicContact CE2-CB 4.24Å
507	G	97.1	Very high	95.9	Very high	34 Å²	34	53.8 Å²	53.8	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-62.4	-46.7	178.8	0	0	0	0	0	112.6	V503 T504 T505 G510 I511	V503-G507 PolarHBondContact O-N 2.89Å; T504-G507 PolarHBondContact O-N 2.83Å; T505-G507 PolarHBondContact O-N 2.71Å; G507-G510 PolarHBondContact O-N 2.78Å; G507-I511 WeakPolarHBondContact O-CG1 3.48Å; G507-I511 PolarHBondContact O-N 3.28Å; G507-I511 VanDerWaalsContact O-N 3.13Å
508	L	97.9	Very high	95.9	Very high	111 Å²	111	55.7 Å²	55.7	58%	0.581	30%	0.297	S	S	*	.	H	α-helix	trans	-64.7	-45	177.1	-67.5	175.4	0	0	0	111.8	T504 T505 G510 I511 V512	T504-L508 HydrophobicContact CG2-CD1 4.24Å; T504-L508 WeakPolarHBondContact O-CG 3.31Å; T504-L508 PolarHBondContact O-N 2.81Å; T505-L508 PolarHBondContact O-N 2.92Å; L508-G510 VanDerWaalsContact C-N 3.3Å; L508-G510 PolarHBondContact O-N 3.09Å; L508-I511 PolarHBondContact O-N 3.23Å; L508-V512 WeakPolarHBondContact O-CG2 3.21Å; L508-V512 PolarHBondContact O-N 3.21Å
509	A	97.3	Very high	95.9	Very high	11 Å²	11	56.1 Å²	56.1	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-35.9	177.2	0	0	0	0	0	112.2	T505 F506 V512 G513 I861 A864	T505-A509 WeakPolarHBondContact O-CB 3.47Å; T505-A509 PolarHBondContact O-N 3.22Å; F506-A509 PolarHBondContact O-N 2.86Å; A509-V512 PolarHBondContact O-N 3.05Å; A509-G513 PolarHBondContact O-N 2.78Å; A509-I861 HydrophobicContact CB-CB 4.25Å; A509-I861 HydrophobicContact CB-CG1 4.13Å; A509-I861 HydrophobicContact CB-CG2 4.27Å; A509-A864 HydrophobicContact CB-CB 3.99Å
510	G	96.4	Very high	95.8	Very high	20 Å²	20	55.3 Å²	55.3	21%	0.206	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-42.7	173.3	0	0	0	0	0	112.6	F506 G507 L508 G513 Y514	F506-G510 PolarHBondContact O-N 3.02Å; G507-G510 PolarHBondContact O-N 2.78Å; L508-G510 VanDerWaalsContact C-N 3.3Å; L508-G510 PolarHBondContact O-N 3.09Å; G510-G513 PolarHBondContact O-N 2.7Å; G510-Y514 WeakPolarHBondContact O-CB 3.3Å; G510-Y514 PolarHBondContact O-N 3.39Å
511	I	96.9	Very high	95.7	Very high	100 Å²	100	54.4 Å²	54.4	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-65	-44.3	174.9	-66.2	166.3	0	0	0	110.7	G507 L508 G513 Y514 H515	G507-I511 WeakPolarHBondContact O-CG1 3.48Å; G507-I511 PolarHBondContact O-N 3.28Å; G507-I511 VanDerWaalsContact O-N 3.13Å; L508-I511 PolarHBondContact O-N 3.23Å; I511-G513 VanDerWaalsContact C-N 3.34Å; I511-G513 PolarHBondContact O-N 3.29Å; I511-Y514 WeakPolarHBondContact O-CB 3.49Å; I511-Y514 PolarHBondContact O-N 3.44Å; I511-H515 PolarHBondContact O-CD2 2.74Å; I511-H515 VanDerWaalsContact O-CD2 3.31Å; I511-H515 PolarHBondContact O-N 3.32Å; I511-H515 VanDerWaalsContact O-N 3.1Å
512	V	97.2	Very high	95.6	Very high	62 Å²	62	51.3 Å²	51.3	38%	0.376	29%	0.287	S	S	.	.	H	α-helix	trans	-58.9	-47	175.5	169.8	0	0	0	0	110.6	L508 A509 Y514 H515 T516 V633	L508-V512 WeakPolarHBondContact O-CG2 3.21Å; L508-V512 PolarHBondContact O-N 3.21Å; A509-V512 PolarHBondContact O-N 3.05Å; V512-Y514 PolarHBondContact O-N 3.02Å; V512-H515 PolarHBondContact O-N 3.38Å; V512-T516 VanDerWaalsContact O-CB 3.26Å; V512-T516 WeakPolarHBondContact O-CB 3.46Å; V512-T516 PolarHBondContact O-N 3.05Å; V512-T516 PolarHBondContact O-OG1 2.89Å; V512-V633 HydrophobicContact CG1-CB 4.42Å; V512-V633 HydrophobicContact CG1-CG1 3.6Å; V512-V633 HydrophobicContact CG1-CG2 3.84Å
513	G	95.6	Very high	95.3	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-42.2	178.1	0	0	0	0	0	112.8	A509 G510 I511 H515 T516 V517 L865 S868	A509-G513 PolarHBondContact O-N 2.78Å; G510-G513 PolarHBondContact O-N 2.7Å; I511-G513 VanDerWaalsContact C-N 3.34Å; I511-G513 PolarHBondContact O-N 3.29Å; G513-H515 PolarHBondContact O-N 3.42Å; G513-T516 PolarHBondContact O-N 3.4Å; G513-V517 WeakPolarHBondContact O-CB 3.33Å; G513-V517 VanDerWaalsContact O-CG2 3.26Å; G513-V517 WeakPolarHBondContact O-CG2 3.29Å; G513-V517 PolarHBondContact O-N 3.48Å; G513-L865 VanDerWaalsContact CA-CD1 3.47Å; G513-S868 WeakPolarHBondContact CA-OG 3.47Å
514	Y	95.1	Very high	95.3	Very high	119 Å²	119	50.6 Å²	50.6	47%	0.467	28%	0.284	S	S	.	.	H	α-helix	trans	-54.9	-54.3	175	177.1	-92.7	0	0	0	111.9	G510 I511 V512 W518 I872	G510-Y514 WeakPolarHBondContact O-CB 3.3Å; G510-Y514 PolarHBondContact O-N 3.39Å; I511-Y514 WeakPolarHBondContact O-CB 3.49Å; I511-Y514 PolarHBondContact O-N 3.44Å; V512-Y514 PolarHBondContact O-N 3.02Å; Y514-W518 AromaticContact CD2-NE1 3.89Å; Y514-W518 AromaticContact CE1-CD1 3.83Å; Y514-W518 AromaticContact CE2-CD1 3.79Å; Y514-W518 AromaticContact CE2-NE1 3.29Å; Y514-W518 VanDerWaalsContact CE2-NE1 3.29Å; Y514-W518 AromaticContact CZ-CD1 3.65Å; Y514-W518 AromaticContact CZ-NE1 3.38Å; Y514-W518 PolarHBondContact O-N 3.26Å; Y514-I872 HydrophobicContact CD2-CD1 3.93Å; Y514-I872 HydrophobicContact CD2-CG1 4.46Å; Y514-I872 HydrophobicContact CG-CD1 4.45Å
515	H	95.4	Very high	95.2	Very high	126 Å²	126	48.2 Å²	48.2	58%	0.583	27%	0.268	S	S	*	.	H	α-helix	trans	-69.7	-36	-178.4	-75.2	-67.9	0	0	0	113.3	I511 V512 G513 G519	I511-H515 PolarHBondContact O-CD2 2.74Å; I511-H515 VanDerWaalsContact O-CD2 3.31Å; I511-H515 PolarHBondContact O-N 3.32Å; I511-H515 VanDerWaalsContact O-N 3.1Å; V512-H515 PolarHBondContact O-N 3.38Å; G513-H515 PolarHBondContact O-N 3.42Å; H515-G519 PolarHBondContact O-N 3.34Å
516	T	94.6	Very high	95	Very high	24 Å²	24	46.6 Å²	46.6	15%	0.147	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-42.1	-178.3	-58.6	0	0	0	0	111.3	V512 G513 G519 L636 A637	V512-T516 VanDerWaalsContact O-CB 3.26Å; V512-T516 WeakPolarHBondContact O-CB 3.46Å; V512-T516 PolarHBondContact O-N 3.05Å; V512-T516 PolarHBondContact O-OG1 2.89Å; G513-T516 PolarHBondContact O-N 3.4Å; T516-G519 PolarHBondContact O-N 3.27Å; T516-L636 HydrophobicContact CG2-CB 3.74Å; T516-A637 HydrophobicContact CG2-CB 3.82Å; T516-A637 VanDerWaalsContact CG2-N 3.35Å
517	V	92.9	Very high	94.9	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-72.7	-40	-176.9	173.4	0	0	0	0	111.8	G513 G519 V520 L528 L636 I872	G513-V517 WeakPolarHBondContact O-CB 3.33Å; G513-V517 VanDerWaalsContact O-CG2 3.26Å; G513-V517 WeakPolarHBondContact O-CG2 3.29Å; G513-V517 PolarHBondContact O-N 3.48Å; V517-G519 PolarHBondContact O-N 3.38Å; V517-V520 WeakPolarHBondContact O-CB 3.23Å; V517-V520 PolarHBondContact O-N 3.29Å; V517-L528 HydrophobicContact CG1-CD2 4.02Å; V517-L636 HydrophobicContact CG2-CD2 3.97Å; V517-I872 HydrophobicContact CB-CD1 3.91Å; V517-I872 HydrophobicContact CG1-CB 4.06Å; V517-I872 HydrophobicContact CG1-CD1 4.05Å; V517-I872 HydrophobicContact CG1-CG2 3.95Å
518	W	93.9	Very high	94.9	Very high	114 Å²	114	42 Å²	42	43%	0.432	23%	0.229	S	C	.	.	H	α-helix	trans	-60.9	-24.1	174.7	-83.9	114.8	0	0	0	113.2	Y514 V520 I872 Y875 I876	Y514-W518 AromaticContact CD2-NE1 3.89Å; Y514-W518 AromaticContact CE1-CD1 3.83Å; Y514-W518 AromaticContact CE2-CD1 3.79Å; Y514-W518 AromaticContact CE2-NE1 3.29Å; Y514-W518 VanDerWaalsContact CE2-NE1 3.29Å; Y514-W518 AromaticContact CZ-CD1 3.65Å; Y514-W518 AromaticContact CZ-NE1 3.38Å; Y514-W518 PolarHBondContact O-N 3.26Å; W518-V520 VanDerWaalsContact C-N 3.33Å; W518-I872 HydrophobicContact CD2-CG2 4.1Å; W518-I872 HydrophobicContact CG-CD1 4.48Å; W518-I872 HydrophobicContact CH2-CG2 4.46Å; W518-I872 HydrophobicContact CZ2-CG2 4.03Å; W518-Y875 HydrophobicContact CH2-CD1 4.1Å; W518-Y875 HydrophobicContact CH2-CE1 4.17Å; W518-Y875 HydrophobicContact CZ2-CD1 4.15Å; W518-Y875 HydrophobicContact CZ2-CE1 4.34Å; W518-I876 HydrophobicContact CH2-CD1 4.32Å; W518-I876 HydrophobicContact CH2-CG1 3.99Å; W518-I876 HydrophobicContact CZ3-CD1 4Å; W518-I876 HydrophobicContact CZ3-CG1 4.06Å
519	G	92.4	Very high	94.7	Very high	43 Å²	43	36.7 Å²	36.7	44%	0.443	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-6.2	175.2	0	0	0	0	0	114.8	H515 T516 V517 S640	H515-G519 PolarHBondContact O-N 3.34Å; T516-G519 PolarHBondContact O-N 3.27Å; V517-G519 PolarHBondContact O-N 3.38Å; G519-S640 WeakPolarHBondContact O-CA 3.48Å; G519-S640 WeakPolarHBondContact O-CB 3.49Å
520	V	94.7	Very high	94.6	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.042	20%	0.198	C	C	.	.	S	Bend	trans	-73	136.3	-179.5	175.7	0	0	0	0	110.4	V517 W518 L524 L528 L639	V517-V520 WeakPolarHBondContact O-CB 3.23Å; V517-V520 PolarHBondContact O-N 3.29Å; W518-V520 VanDerWaalsContact C-N 3.33Å; V520-L524 HydrophobicContact CG1-CB 4.26Å; V520-L528 HydrophobicContact CB-CD2 4.34Å; V520-L528 HydrophobicContact CG1-CB 4.36Å; V520-L528 HydrophobicContact CG1-CD2 4.15Å; V520-L528 HydrophobicContact CG2-CD1 4.37Å; V520-L528 HydrophobicContact CG2-CD2 4.25Å; V520-L639 HydrophobicContact CG1-CB 4.02Å; V520-L639 HydrophobicContact CG2-CB 4.26Å
521	T	92.4	Very high	94.6	Very high	46 Å²	46	35.4 Å²	35.4	28%	0.282	19%	0.188	S	C	.	.			trans	-62.9	132.4	175.7	-49.6	0	0	0	0	110.1	A523 L524 L639 S640	T521-A523 HydrophobicContact CG2-CB 4.22Å; T521-A523 PolarHBondContact O-N 3.31Å; T521-A523 VanDerWaalsContact O-N 3.15Å; T521-L524 WeakPolarHBondContact O-CA 3.4Å; T521-L524 WeakPolarHBondContact O-CB 3.38Å; T521-L524 PolarHBondContact O-N 2.92Å; T521-L639 PolarHBondContact N-O 3.4Å; T521-S640 PolarHBondContact OG1-O 2.85Å
522	P	92.9	Very high	94.6	Very high	58 Å²	58	30.7 Å²	30.7	38%	0.377	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-53.9	-37.2	-179.3	-29.8	36.2	0	0	0	114.7	L524 H525 E990	P522-L524 PolarHBondContact O-N 2.77Å; P522-L524 VanDerWaalsContact O-N 3.1Å; P522-H525 WeakPolarHBondContact O-CB 3.4Å; P522-H525 VanDerWaalsContact O-CG 3.26Å; P522-H525 PolarHBondContact O-N 3.42Å; P522-H525 VanDerWaalsContact O-N 3.14Å; P522-H525 PolarHBondContact O-ND1 3.47Å; P522-E990 HydrophobicContact CB-CG 4.05Å; P522-E990 HydrophobicContact CG-CG 4.45Å
523	A	91.4	Very high	94.4	Very high	18 Å²	18	27.8 Å²	27.8	15%	0.149	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-59.6	-20.2	175	0	0	0	0	0	114.2	T521 N975	T521-A523 HydrophobicContact CG2-CB 4.22Å; T521-A523 PolarHBondContact O-N 3.31Å; T521-A523 VanDerWaalsContact O-N 3.15Å; A523-N975 HydrophobicContact CB-CB 4.18Å; A523-N975 WeakPolarHBondContact CB-ND2 2.94Å
524	L	95.4	Very high	94.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-102.6	10.2	-178.8	-68.5	176.3	0	0	0	113.7	V520 T521 P522 S526 P527 L528 L583 F586 L639 Q642 A645	V520-L524 HydrophobicContact CG1-CB 4.26Å; T521-L524 WeakPolarHBondContact O-CA 3.4Å; T521-L524 WeakPolarHBondContact O-CB 3.38Å; T521-L524 PolarHBondContact O-N 2.92Å; P522-L524 PolarHBondContact O-N 2.77Å; P522-L524 VanDerWaalsContact O-N 3.1Å; L524-S526 VanDerWaalsContact C-N 3.3Å; L524-S526 PolarHBondContact O-N 3.02Å; L524-P527 HydrophobicContact CD2-CB 4.35Å; L524-P527 HydrophobicContact CD2-CG 3.89Å; L524-P527 VanDerWaalsContact O-CD 3.27Å; L524-P527 WeakPolarHBondContact O-CD 3.24Å; L524-L528 WeakPolarHBondContact O-CB 3.48Å; L524-L528 PolarHBondContact O-N 3.08Å; L524-L583 HydrophobicContact CD2-CD2 3.99Å; L524-F586 HydrophobicContact CD2-CD2 4.34Å; L524-F586 HydrophobicContact CD2-CE2 4.08Å; L524-F586 HydrophobicContact CD2-CZ 4.43Å; L524-L639 HydrophobicContact CD1-CB 4.49Å; L524-L639 VanDerWaalsContact CD1-O 3.26Å; L524-L639 WeakPolarHBondContact CD1-O 3.43Å; L524-Q642 VanDerWaalsContact CD2-OE1 3.3Å; L524-A645 HydrophobicContact CD1-CB 4.05Å
525	H	94.9	Very high	94.6	Very high	19 Å²	19	22.1 Å²	22.1	9%	0.088	12%	0.124	C	C	.	.	H	α-helix	trans	-61.4	-33.2	177.9	-73.1	169.8	0	0	0	114	P522 L528 M529 L873 P971	P522-H525 WeakPolarHBondContact O-CB 3.4Å; P522-H525 VanDerWaalsContact O-CG 3.26Å; P522-H525 PolarHBondContact O-N 3.42Å; P522-H525 VanDerWaalsContact O-N 3.14Å; P522-H525 PolarHBondContact O-ND1 3.47Å; H525-L528 WeakPolarHBondContact O-CB 3.29Å; H525-L528 PolarHBondContact O-N 3.38Å; H525-M529 WeakPolarHBondContact O-CG 3.37Å; H525-M529 PolarHBondContact O-N 3.26Å; H525-L873 HydrophobicContact CB-CD2 4.11Å; H525-P971 HydrophobicContact CB-CB 3.86Å
526	S	93.3	Very high	94.7	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-67.6	-49.3	173.9	-83.1	0	0	0	0	112.2	L524 L528 M529 S530 P971 Q973	L524-S526 VanDerWaalsContact C-N 3.3Å; L524-S526 PolarHBondContact O-N 3.02Å; S526-L528 VanDerWaalsContact C-N 3.31Å; S526-L528 PolarHBondContact O-N 2.58Å; S526-M529 PolarHBondContact O-N 3.47Å; S526-S530 PolarHBondContact O-N 2.7Å; S526-S530 VanDerWaalsContact O-N 3.11Å; S526-P971 WeakPolarHBondContact CB-O 3.4Å; S526-P971 PolarHBondContact N-O 3.35Å; S526-P971 PolarHBondContact OG-O 2.84Å; S526-Q973 PolarHBondContact OG-N 3.07Å
527	P	95.9	Very high	94.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-52.9	-42	166.6	-31.2	36.1	0	0	0	114.8	L524 M529 S530 V531 M582 L583 F586 L639	L524-P527 HydrophobicContact CD2-CB 4.35Å; L524-P527 HydrophobicContact CD2-CG 3.89Å; L524-P527 VanDerWaalsContact O-CD 3.27Å; L524-P527 WeakPolarHBondContact O-CD 3.24Å; P527-M529 PolarHBondContact O-N 2.92Å; P527-S530 PolarHBondContact O-N 3.22Å; P527-S530 VanDerWaalsContact O-N 3.16Å; P527-V531 WeakPolarHBondContact O-CG2 3.31Å; P527-V531 PolarHBondContact O-N 3.42Å; P527-M582 HydrophobicContact CB-CE 4.37Å; P527-M582 HydrophobicContact CG-CB 4.31Å; P527-M582 HydrophobicContact CG-CE 4.31Å; P527-L583 HydrophobicContact CB-CD2 3.8Å; P527-L583 HydrophobicContact CB-CG 4.48Å; P527-L583 HydrophobicContact CG-CD2 3.99Å; P527-F586 HydrophobicContact CG-CE2 4.3Å; P527-L639 HydrophobicContact CB-CD2 4.49Å
528	L	96	Very high	95.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.8	-50.3	175.9	172.3	63.3	0	0	0	111.8	V517 V520 L524 H525 S526 S530 V531 T532 L636 L639 L873	V517-L528 HydrophobicContact CG1-CD2 4.02Å; V520-L528 HydrophobicContact CB-CD2 4.34Å; V520-L528 HydrophobicContact CG1-CB 4.36Å; V520-L528 HydrophobicContact CG1-CD2 4.15Å; V520-L528 HydrophobicContact CG2-CD1 4.37Å; V520-L528 HydrophobicContact CG2-CD2 4.25Å; L524-L528 WeakPolarHBondContact O-CB 3.48Å; L524-L528 PolarHBondContact O-N 3.08Å; H525-L528 WeakPolarHBondContact O-CB 3.29Å; H525-L528 PolarHBondContact O-N 3.38Å; S526-L528 VanDerWaalsContact C-N 3.31Å; S526-L528 PolarHBondContact O-N 2.58Å; L528-S530 VanDerWaalsContact C-N 3.27Å; L528-S530 PolarHBondContact O-N 2.89Å; L528-V531 PolarHBondContact O-N 3.43Å; L528-T532 HydrophobicContact CD1-CG2 4.27Å; L528-T532 WeakPolarHBondContact O-CG2 3.35Å; L528-T532 PolarHBondContact O-N 3.26Å; L528-T532 PolarHBondContact O-OG1 2.76Å; L528-L636 HydrophobicContact CD1-CB 4.38Å; L528-L636 HydrophobicContact CD1-CD2 3.73Å; L528-L636 HydrophobicContact CD1-CG 3.57Å; L528-L639 HydrophobicContact CB-CD1 3.99Å; L528-L639 HydrophobicContact CD1-CD1 4.11Å; L528-L873 HydrophobicContact CD2-CD1 4.06Å; L528-L873 HydrophobicContact CD2-CD2 4.36Å; L528-L873 HydrophobicContact CD2-CG 4.43Å
529	M	94.3	Very high	95.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59	-37.9	176.4	-73.5	-74.6	-61.8	0	0	112.4	H525 S526 P527 T532 N533 V704 I836 T837 N840 L873 M970	H525-M529 WeakPolarHBondContact O-CG 3.37Å; H525-M529 PolarHBondContact O-N 3.26Å; S526-M529 PolarHBondContact O-N 3.47Å; P527-M529 PolarHBondContact O-N 2.92Å; M529-T532 WeakPolarHBondContact CA-OG1 3.36Å; M529-T532 PolarHBondContact O-OG1 3.24Å; M529-N533 WeakPolarHBondContact O-CB 3.28Å; M529-N533 PolarHBondContact O-N 3.27Å; M529-N533 VanDerWaalsContact O-N 3.1Å; M529-N533 PolarHBondContact O-OD1 3.27Å; M529-V704 HydrophobicContact CE-CG1 3.79Å; M529-I836 HydrophobicContact CE-CG2 3.81Å; M529-T837 HydrophobicContact CE-CG2 4.29Å; M529-T837 HydrophobicContact SD-CG2 4.06Å; M529-N840 HydrophobicContact CE-CB 3.84Å; M529-N840 HydrophobicContact SD-CB 4.27Å; M529-N840 PolarHBondContact SD-ND2 3.39Å; M529-L873 HydrophobicContact CG-CD1 3.75Å; M529-L873 HydrophobicContact SD-CD1 3.43Å; M529-L873 WeakPolarHBondContact SD-CD1 3.28Å; M529-M970 HydrophobicContact CB-CE 3.32Å; M529-M970 HydrophobicContact CG-CE 3.74Å
530	S	94.9	Very high	95.5	Very high	4 Å²	4	7.3 Å²	7.3	3%	0.028	5%	0.047	C	C	.	.	H	α-helix	trans	-70.2	-39.2	177.3	-177	0	0	0	0	112.4	S526 P527 L528 N533 A534 G575 T579	S526-S530 PolarHBondContact O-N 2.7Å; S526-S530 VanDerWaalsContact O-N 3.11Å; P527-S530 PolarHBondContact O-N 3.22Å; P527-S530 VanDerWaalsContact O-N 3.16Å; L528-S530 VanDerWaalsContact C-N 3.27Å; L528-S530 PolarHBondContact O-N 2.89Å; S530-N533 PolarHBondContact O-N 3.48Å; S530-A534 PolarHBondContact O-N 3.46Å; S530-G575 PolarHBondContact OG-O 3.11Å; S530-T579 WeakPolarHBondContact CB-OG1 3.49Å; S530-T579 PolarHBondContact OG-N 3.38Å; S530-T579 PolarHBondContact OG-OG1 3.49Å
531	V	96.3	Very high	95.6	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.6	-46.1	174.3	171	0	0	0	0	110.7	P527 L528 N533 A534 I535 T579 A635 L636 L639	P527-V531 WeakPolarHBondContact O-CG2 3.31Å; P527-V531 PolarHBondContact O-N 3.42Å; L528-V531 PolarHBondContact O-N 3.43Å; V531-N533 PolarHBondContact O-N 2.58Å; V531-A534 WeakPolarHBondContact O-CB 3.46Å; V531-A534 PolarHBondContact O-N 3.2Å; V531-A534 VanDerWaalsContact O-N 3.12Å; V531-I535 HydrophobicContact CG1-CD1 3.58Å; V531-I535 HydrophobicContact CG1-CG1 4.23Å; V531-I535 VanDerWaalsContact O-CG1 3.32Å; V531-I535 WeakPolarHBondContact O-CG1 3.32Å; V531-I535 PolarHBondContact O-N 3.04Å; V531-T579 HydrophobicContact CG2-CG2 3.35Å; V531-T579 PolarHBondContact N-OG1 3.42Å; V531-A635 HydrophobicContact CG1-CB 4.15Å; V531-L636 HydrophobicContact CG1-CD1 3.76Å; V531-L639 HydrophobicContact CB-CD1 4.43Å; V531-L639 HydrophobicContact CG2-CD1 4.13Å
532	T	96.6	Very high	95.8	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.5	-34	177	54.9	0	0	0	0	111.6	L528 M529 S536 L636 N840 I866	L528-T532 HydrophobicContact CD1-CG2 4.27Å; L528-T532 WeakPolarHBondContact O-CG2 3.35Å; L528-T532 PolarHBondContact O-N 3.26Å; L528-T532 PolarHBondContact O-OG1 2.76Å; M529-T532 WeakPolarHBondContact CA-OG1 3.36Å; M529-T532 PolarHBondContact O-OG1 3.24Å; T532-S536 WeakPolarHBondContact O-CB 3.28Å; T532-S536 PolarHBondContact O-N 3.29Å; T532-S536 PolarHBondContact O-OG 3.35Å; T532-L636 HydrophobicContact CG2-CD1 4.49Å; T532-L636 HydrophobicContact CG2-CD2 4.14Å; T532-N840 PolarHBondContact OG1-ND2 3.3Å; T532-I866 HydrophobicContact CG2-CG1 4.27Å; T532-I866 WeakPolarHBondContact O-CD1 3.37Å
533	N	94.7	Very high	96	Very high	1 Å²	1	2 Å²	2	1%	0.005	1%	0.013	C	C	.	.	H	α-helix	trans	-72.5	-34.3	175.7	-74	4.4	0	0	0	113.8	M529 S530 V531 S536 H708 N840	M529-N533 WeakPolarHBondContact O-CB 3.28Å; M529-N533 PolarHBondContact O-N 3.27Å; M529-N533 VanDerWaalsContact O-N 3.1Å; M529-N533 PolarHBondContact O-OD1 3.27Å; S530-N533 PolarHBondContact O-N 3.48Å; V531-N533 PolarHBondContact O-N 2.58Å; N533-S536 WeakPolarHBondContact CA-OG 3.19Å; N533-S536 PolarHBondContact O-OG 3.3Å; N533-H708 PolarHBondContact ND2-CD2 3.47Å; N533-H708 PolarHBondContact ND2-NE2 3.26Å; N533-H708 PolarHBondContact OD1-CD2 3.3Å; N533-H708 PolarHBondContact OD1-NE2 2.93Å; N533-N840 PolarHBondContact OD1-OD1 3.2Å
534	A	96.4	Very high	96.3	Very high	0 Å²	0	1.2 Å²	1.2	0%	0	1%	0.006	C	C	.	.	H	α-helix	trans	-65.6	-46.4	173.3	0	0	0	0	0	110.6	S530 V531 G537 F576	S530-A534 PolarHBondContact O-N 3.46Å; V531-A534 WeakPolarHBondContact O-CB 3.46Å; V531-A534 PolarHBondContact O-N 3.2Å; V531-A534 VanDerWaalsContact O-N 3.12Å; A534-G537 PolarHBondContact O-N 3.36Å; A534-F576 HydrophobicContact CB-CB 4.5Å; A534-F576 HydrophobicContact CB-CD1 3.83Å; A534-F576 HydrophobicContact CB-CD2 3.89Å; A534-F576 HydrophobicContact CB-CE1 3.89Å; A534-F576 HydrophobicContact CB-CE2 3.95Å; A534-F576 HydrophobicContact CB-CG 3.81Å; A534-F576 HydrophobicContact CB-CZ 3.93Å
535	I	97.9	Very high	96.3	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-72.1	-34.8	-177.6	-60.1	173.3	0	0	0	111.2	V531 G537 L538 F576 C632 A635 L636 V656 V862 I866	V531-I535 HydrophobicContact CG1-CD1 3.58Å; V531-I535 HydrophobicContact CG1-CG1 4.23Å; V531-I535 VanDerWaalsContact O-CG1 3.32Å; V531-I535 WeakPolarHBondContact O-CG1 3.32Å; V531-I535 PolarHBondContact O-N 3.04Å; I535-G537 PolarHBondContact O-N 3.4Å; I535-G537 VanDerWaalsContact O-N 3.12Å; I535-L538 HydrophobicContact CG2-CD1 4.06Å; I535-L538 VanDerWaalsContact O-CB 3.3Å; I535-L538 WeakPolarHBondContact O-CB 3.4Å; I535-L538 WeakPolarHBondContact O-CG 3.05Å; I535-L538 PolarHBondContact O-N 2.94Å; I535-F576 HydrophobicContact CG1-CZ 4.4Å; I535-C632 HydrophobicContact CD1-CB 4.21Å; I535-C632 HydrophobicContact CG2-CB 4.25Å; I535-A635 HydrophobicContact CD1-CB 3.98Å; I535-L636 HydrophobicContact CD1-CD1 3.96Å; I535-V656 HydrophobicContact CG1-CG2 4.41Å; I535-V862 HydrophobicContact CG2-CB 4.42Å; I535-V862 HydrophobicContact CG2-CG1 3.46Å; I535-V862 VanDerWaalsContact CG2-CG1 3.46Å; I535-V862 HydrophobicContact CG2-CG2 4.1Å; I535-I866 HydrophobicContact CB-CD1 4.37Å; I535-I866 HydrophobicContact CG2-CD1 4.28Å
536	S	97.1	Very high	96.4	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-61.9	-19.4	175.6	62.9	0	0	0	0	113.1	T532 N533 L538 T539 V711	T532-S536 WeakPolarHBondContact O-CB 3.28Å; T532-S536 PolarHBondContact O-N 3.29Å; T532-S536 PolarHBondContact O-OG 3.35Å; N533-S536 WeakPolarHBondContact CA-OG 3.19Å; N533-S536 PolarHBondContact O-OG 3.3Å; S536-L538 PolarHBondContact O-N 3.39Å; S536-T539 PolarHBondContact O-N 2.93Å; S536-V711 WeakPolarHBondContact OG-CG2 3.22Å
537	G	97	Very high	96.6	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-4.7	168.3	0	0	0	0	0	114.3	A534 I535 T539 A540 S568 I572	A534-G537 PolarHBondContact O-N 3.36Å; I535-G537 PolarHBondContact O-N 3.4Å; I535-G537 VanDerWaalsContact O-N 3.12Å; G537-T539 PolarHBondContact O-N 3.45Å; G537-T539 VanDerWaalsContact O-N 3.16Å; G537-A540 WeakPolarHBondContact O-CB 3.24Å; G537-A540 PolarHBondContact O-N 3.27Å; G537-S568 WeakPolarHBondContact O-CB 3.47Å; G537-I572 WeakPolarHBondContact O-CD1 3.26Å
538	L	98.1	Very high	96.5	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-4.1	168.6	-78.4	171.7	0	0	0	114.5	I535 S536 A540 V541 V656 L858 L859 V862	I535-L538 HydrophobicContact CG2-CD1 4.06Å; I535-L538 VanDerWaalsContact O-CB 3.3Å; I535-L538 WeakPolarHBondContact O-CB 3.4Å; I535-L538 WeakPolarHBondContact O-CG 3.05Å; I535-L538 PolarHBondContact O-N 2.94Å; S536-L538 PolarHBondContact O-N 3.39Å; L538-A540 PolarHBondContact O-N 3.05Å; L538-V541 HydrophobicContact CD2-CG2 3.82Å; L538-V541 VanDerWaalsContact O-CB 3.28Å; L538-V541 WeakPolarHBondContact O-CB 3.45Å; L538-V541 PolarHBondContact O-N 3.03Å; L538-V656 HydrophobicContact CD1-CG2 4.15Å; L538-V656 HydrophobicContact CD2-CB 4.44Å; L538-V656 HydrophobicContact CD2-CG1 4.05Å; L538-V656 HydrophobicContact CD2-CG2 4.4Å; L538-V656 HydrophobicContact CG-CG1 4.45Å; L538-V656 HydrophobicContact CG-CG2 4.11Å; L538-L858 HydrophobicContact CD1-CD1 4.48Å; L538-L858 HydrophobicContact CD1-CD2 4.39Å; L538-L858 HydrophobicContact CD1-CG 4.41Å; L538-L858 HydrophobicContact CD2-CD2 4.44Å; L538-L859 HydrophobicContact CB-CD2 4.31Å; L538-L859 WeakPolarHBondContact O-CD2 3.39Å; L538-V862 HydrophobicContact CD1-CB 4.41Å; L538-V862 HydrophobicContact CD1-CG1 4.16Å; L538-V862 HydrophobicContact CD1-CG2 3.78Å
539	T	97.4	Very high	96.4	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-52.5	-19.6	159	49.7	0	0	0	0	112.4	S536 G537 V541 G542 G543 S568 V711 A714 L847 E850	S536-T539 PolarHBondContact O-N 2.93Å; G537-T539 PolarHBondContact O-N 3.45Å; G537-T539 VanDerWaalsContact O-N 3.16Å; T539-V541 PolarHBondContact O-N 3.38Å; T539-G542 PolarHBondContact O-N 3.41Å; T539-G543 PolarHBondContact O-N 3.47Å; T539-S568 WeakPolarHBondContact CB-OG 3.31Å; T539-S568 WeakPolarHBondContact OG1-CB 3.27Å; T539-S568 PolarHBondContact OG1-OG 2.84Å; T539-V711 HydrophobicContact CG2-CG1 3.86Å; T539-A714 HydrophobicContact CG2-CB 4.36Å; T539-L847 HydrophobicContact CG2-CD1 3.44Å; T539-L847 VanDerWaalsContact CG2-CD1 3.44Å; T539-L847 HydrophobicContact CG2-CG 3.89Å; T539-E850 WeakPolarHBondContact CG2-OE2 3.5Å
540	A	97.8	Very high	96.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57.3	-32.9	168.3	0	0	0	0	0	113	G537 L538 G542 G543 L544 S568 I572 L660	G537-A540 WeakPolarHBondContact O-CB 3.24Å; G537-A540 PolarHBondContact O-N 3.27Å; L538-A540 PolarHBondContact O-N 3.05Å; A540-G542 VanDerWaalsContact C-N 3.34Å; A540-G543 PolarHBondContact O-N 3.29Å; A540-L544 WeakPolarHBondContact O-CB 3.19Å; A540-L544 WeakPolarHBondContact O-CG 3.34Å; A540-L544 PolarHBondContact O-N 3.49Å; A540-S568 VanDerWaalsContact N-CB 3.29Å; A540-S568 PolarHBondContact N-OG 3.34Å; A540-I572 HydrophobicContact CB-CD1 4.33Å; A540-L660 HydrophobicContact CB-CD2 3.93Å
541	V	97.8	Very high	96.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.9	-42.8	176.4	166.3	0	0	0	0	110.9	L538 T539 S545 L660 T663 N856 L859	L538-V541 HydrophobicContact CD2-CG2 3.82Å; L538-V541 VanDerWaalsContact O-CB 3.28Å; L538-V541 WeakPolarHBondContact O-CB 3.45Å; L538-V541 PolarHBondContact O-N 3.03Å; T539-V541 PolarHBondContact O-N 3.38Å; V541-S545 WeakPolarHBondContact O-CB 3.44Å; V541-S545 PolarHBondContact O-N 3.41Å; V541-S545 VanDerWaalsContact O-N 3.1Å; V541-S545 PolarHBondContact O-OG 3.14Å; V541-L660 HydrophobicContact CG2-CD2 4.03Å; V541-T663 HydrophobicContact CG1-CG2 4.02Å; V541-T663 VanDerWaalsContact CG1-OG1 3.32Å; V541-T663 WeakPolarHBondContact CG1-OG1 3.14Å; V541-N856 WeakPolarHBondContact CG1-ND2 3.29Å; V541-L859 HydrophobicContact CB-CD2 4.14Å; V541-L859 HydrophobicContact CG1-CD1 4.31Å; V541-L859 HydrophobicContact CG1-CD2 4.4Å; V541-L859 HydrophobicContact CG1-CG 4.31Å
542	G	95.9	Very high	96.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-69.1	-44.2	175.9	0	0	0	0	0	112.1	T539 A540 L544 S545 L546 E850	T539-G542 PolarHBondContact O-N 3.41Å; A540-G542 VanDerWaalsContact C-N 3.34Å; G542-L544 PolarHBondContact O-N 3.17Å; G542-S545 PolarHBondContact O-N 3.4Å; G542-L546 PolarHBondContact O-N 3.44Å; G542-E850 WeakPolarHBondContact CA-OE1 3.29Å
543	G	96.8	Very high	96.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-54.2	-50.2	172.5	0	0	0	0	0	112.8	T539 A540 S545 L546 M547 A561	T539-G543 PolarHBondContact O-N 3.47Å; A540-G543 PolarHBondContact O-N 3.29Å; G543-S545 VanDerWaalsContact C-N 3.3Å; G543-S545 PolarHBondContact O-N 3.02Å; G543-L546 PolarHBondContact O-N 3.2Å; G543-L546 VanDerWaalsContact O-N 3.17Å; G543-M547 WeakPolarHBondContact O-CG 3.16Å; G543-M547 PolarHBondContact O-N 3.46Å; G543-M547 VanDerWaalsContact O-N 3.12Å; G543-A561 WeakPolarHBondContact O-CB 3.07Å
544	L	97.6	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.8	-36.9	179.1	-71.8	171.1	0	0	0	112.6	A540 G542 L546 M547 L660 T663 L664 L667 M677 M681	A540-L544 WeakPolarHBondContact O-CB 3.19Å; A540-L544 WeakPolarHBondContact O-CG 3.34Å; A540-L544 PolarHBondContact O-N 3.49Å; G542-L544 PolarHBondContact O-N 3.17Å; L544-L546 PolarHBondContact O-N 2.9Å; L544-M547 HydrophobicContact CD2-SD 4.06Å; L544-M547 PolarHBondContact O-N 3.3Å; L544-L660 HydrophobicContact CD1-CD2 3.92Å; L544-T663 HydrophobicContact CB-CG2 4.25Å; L544-L664 HydrophobicContact CD1-CD2 4.12Å; L544-L664 HydrophobicContact CD1-CG 4.24Å; L544-L664 HydrophobicContact CD2-CD2 4.13Å; L544-L667 WeakPolarHBondContact O-CD1 3.27Å; L544-M677 HydrophobicContact CD2-CB 3.76Å; L544-M677 HydrophobicContact CD2-CG 3.66Å; L544-M677 HydrophobicContact CD2-SD 4.03Å; L544-M677 WeakPolarHBondContact O-CE 3.49Å; L544-M681 HydrophobicContact CD1-SD 4.05Å; L544-M681 HydrophobicContact CD2-SD 4.37Å
545	S	96.6	Very high	96.5	Very high	41 Å²	41	31.4 Å²	31.4	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-64.5	-25.4	179.2	-57	0	0	0	0	112.7	V541 G542 G543	V541-S545 WeakPolarHBondContact O-CB 3.44Å; V541-S545 PolarHBondContact O-N 3.41Å; V541-S545 VanDerWaalsContact O-N 3.1Å; V541-S545 PolarHBondContact O-OG 3.14Å; G542-S545 PolarHBondContact O-N 3.4Å; G543-S545 VanDerWaalsContact C-N 3.3Å; G543-S545 PolarHBondContact O-N 3.02Å
546	L	97.2	Very high	96.5	Very high	17 Å²	17	35.8 Å²	35.8	9%	0.089	21%	0.214	C	C	.	.	H	α-helix	trans	-106	0.6	-178.4	-53.7	-174.5	0	0	0	113.8	G542 G543 L544 A561 T718 A721 E722 I725 L854	G542-L546 PolarHBondContact O-N 3.44Å; G543-L546 PolarHBondContact O-N 3.2Å; G543-L546 VanDerWaalsContact O-N 3.17Å; L544-L546 PolarHBondContact O-N 2.9Å; L546-A561 HydrophobicContact CB-CB 3.8Å; L546-A561 WeakPolarHBondContact O-CB 3.38Å; L546-T718 HydrophobicContact CD1-CG2 3.75Å; L546-A721 HydrophobicContact CD1-CB 4.07Å; L546-E722 HydrophobicContact CD1-CB 4.02Å; L546-E722 WeakPolarHBondContact CD1-OE2 3.46Å; L546-E722 WeakPolarHBondContact CD2-OE2 3.48Å; L546-I725 HydrophobicContact CB-CD1 3.96Å; L546-I725 HydrophobicContact CD2-CD1 4.09Å; L546-I725 HydrophobicContact CG-CD1 4.42Å; L546-L854 HydrophobicContact CD2-CD2 4.12Å; L546-L854 HydrophobicContact CG-CD2 4.49Å
547	M	97.2	Very high	96.5	Very high	13 Å²	13	36 Å²	36	6%	0.064	22%	0.215	C	C	.	.			trans	-77.1	130.9	172.9	-79.8	-178.6	64	0	0	110.2	G543 L544 A561 V562 A565 Q676 M677	G543-M547 WeakPolarHBondContact O-CG 3.16Å; G543-M547 PolarHBondContact O-N 3.46Å; G543-M547 VanDerWaalsContact O-N 3.12Å; L544-M547 HydrophobicContact CD2-SD 4.06Å; L544-M547 PolarHBondContact O-N 3.3Å; M547-A561 HydrophobicContact CG-CB 3.78Å; M547-V562 HydrophobicContact CE-CG2 3.63Å; M547-V562 HydrophobicContact CG-CG2 4.13Å; M547-V562 HydrophobicContact SD-CG2 4.17Å; M547-A565 HydrophobicContact SD-CB 3.85Å; M547-Q676 HydrophobicContact CE-CB 4.49Å; M547-Q676 HydrophobicContact CE-CG 3.91Å; M547-M677 HydrophobicContact CB-CE 3.74Å; M547-M677 HydrophobicContact CB-CG 4.46Å; M547-M677 HydrophobicContact CE-CB 4.18Å; M547-M677 HydrophobicContact CE-CG 3.55Å; M547-M677 HydrophobicContact SD-CG 4.02Å
548	G	93.2	Very high	96.5	Very high	13 Å²	13	37.4 Å²	37.4	13%	0.134	22%	0.222	C	C	.	.			trans	-144.9	-176.1	179.6	0	0	0	0	0	111.6	E558	G548-E558 VanDerWaalsContact C-OE1 3.3Å; G548-E558 WeakPolarHBondContact CA-OE1 3.31Å
549	G	94.3	Very high	96.5	Very high	34 Å²	34	40.2 Å²	40.2	35%	0.351	24%	0.239	S	C	.	.	S	Bend	trans	93	-137.2	-176.2	0	0	0	0	0	113.1	E558	G549-E558 PolarHBondContact N-OE1 3.32Å
550	S	94.9	Very high	96.6	Very high	51 Å²	51	41.7 Å²	41.7	36%	0.357	25%	0.247	S	C	.	.	S	Bend	trans	-132.9	-128.4	-175.8	-176.9	0	0	0	0	109.3	L552 E672 Q676	S550-L552 PolarHBondContact N-O 3.31Å; S550-L552 PolarHBondContact O-N 2.93Å; S550-E672 VanDerWaalsContact OG-CB 3.23Å; S550-E672 WeakPolarHBondContact OG-CB 3.29Å; S550-Q676 PolarHBondContact O-OE1 3.02Å
551	Y	95.3	Very high	96.6	Very high	152 Å²	152	41.7 Å²	41.7	60%	0.596	25%	0.247	S	C	*	.	S	Bend	trans	-63.1	-25.5	173.3	-72.5	-67.2	0	0	0	113.6	E672 A675	Y551-E672 HydrophobicContact CD1-CB 4.1Å; Y551-E672 HydrophobicContact CD2-CB 3.89Å; Y551-E672 HydrophobicContact CD2-CG 3.84Å; Y551-E672 HydrophobicContact CE1-CB 4.05Å; Y551-E672 HydrophobicContact CE1-CG 4.2Å; Y551-E672 HydrophobicContact CE2-CB 3.85Å; Y551-E672 HydrophobicContact CE2-CG 3.36Å; Y551-E672 HydrophobicContact CG-CB 4.02Å; Y551-E672 HydrophobicContact CG-CG 4.45Å; Y551-A675 HydrophobicContact CD1-CB 4.22Å; Y551-A675 HydrophobicContact CE1-CB 3.96Å
552	L	95.5	Very high	96.6	Very high	134 Å²	134	43 Å²	43	70%	0.702	26%	0.255	S	S	*	.	S	Bend	trans	-129.4	152	-179.7	-67.2	177.1	0	0	0	109.3	S550	S550-L552 PolarHBondContact N-O 3.31Å; S550-L552 PolarHBondContact O-N 2.93Å
553	P	96.6	Very high	96.7	Very high	42 Å²	42	46.9 Å²	46.9	27%	0.273	28%	0.275	S	S	.	.			trans	-66.8	141.1	175.4	29.9	-32.2	0	0	0	109.8	E558 T559 Q676	P553-E558 HydrophobicContact CB-CB 3.7Å; P553-T559 WeakPolarHBondContact CG-OG1 3.35Å; P553-Q676 VanDerWaalsContact CD-NE2 3.32Å
554	S	95.3	Very high	96.8	Very high	95 Å²	95	46.9 Å²	46.9	66%	0.664	28%	0.275	S	S	*	.	S	Bend	trans	-93.6	-28	178.1	-55.4	0	0	0	0	112.1	E558	S554-E558 VanDerWaalsContact CA-OE2 3.3Å; S554-E558 WeakPolarHBondContact CA-OE2 3.44Å; S554-E558 WeakPolarHBondContact CB-OE2 3.35Å; S554-E558 PolarHBondContact N-OE2 2.87Å
555	T	97.6	Very high	96.8	Very high	68 Å²	68	46.9 Å²	46.9	42%	0.417	28%	0.275	S	S	.	.	S	Bend	trans	-122	164.5	179.6	74.6	0	0	0	0	112.8	A557 E558 T559	T555-A557 VanDerWaalsContact C-N 3.32Å; T555-A557 PolarHBondContact O-N 2.99Å; T555-E558 PolarHBondContact N-OE2 3.16Å; T555-E558 PolarHBondContact O-N 3.12Å; T555-E558 WeakPolarHBondContact OG1-CG 3.32Å; T555-E558 PolarHBondContact OG1-N 2.87Å; T555-T559 PolarHBondContact O-N 3.45Å; T555-T559 VanDerWaalsContact O-N 3.13Å; T555-T559 PolarHBondContact O-OG1 2.99Å
556	T	97.1	Very high	96.9	Very high	92 Å²	92	48.2 Å²	48.2	56%	0.564	28%	0.276	S	S	*	.	H	α-helix	trans	-62.1	-40	174.1	-54.6	0	0	0	0	111.5	E558 T559 L560 M724	T556-E558 PolarHBondContact O-N 2.83Å; T556-T559 WeakPolarHBondContact O-CA 3.41Å; T556-T559 VanDerWaalsContact O-CB 3.3Å; T556-T559 WeakPolarHBondContact O-CB 3.41Å; T556-T559 PolarHBondContact O-N 3.17Å; T556-T559 VanDerWaalsContact O-N 3.07Å; T556-L560 WeakPolarHBondContact O-CG 3.46Å; T556-L560 PolarHBondContact O-N 3.18Å; T556-M724 HydrophobicContact CG2-CE 3.99Å
557	A	97.1	Very high	96.9	Very high	3 Å²	3	48.2 Å²	48.2	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-44.5	179.7	0	0	0	0	0	111.5	T555 T559 L560 A561 A721 M724 I725	T555-A557 VanDerWaalsContact C-N 3.32Å; T555-A557 PolarHBondContact O-N 2.99Å; A557-T559 VanDerWaalsContact C-N 3.25Å; A557-T559 PolarHBondContact O-N 3.13Å; A557-L560 WeakPolarHBondContact O-CB 3.33Å; A557-L560 PolarHBondContact O-N 3.42Å; A557-L560 VanDerWaalsContact O-N 3.14Å; A557-A561 WeakPolarHBondContact O-CB 3.34Å; A557-A561 PolarHBondContact O-N 3.13Å; A557-A721 HydrophobicContact CB-CB 4.31Å; A557-M724 HydrophobicContact CB-CB 4.01Å; A557-I725 HydrophobicContact CB-CD1 3.97Å; A557-I725 HydrophobicContact CB-CG1 3.68Å
558	E	97.6	Very high	96.9	Very high	31 Å²	31	47.6 Å²	47.6	15%	0.145	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-33.9	174.5	-65.2	167.4	169.6	0	0	111.8	G548 G549 P553 S554 T555 T556 A561 V562	G548-E558 VanDerWaalsContact C-OE1 3.3Å; G548-E558 WeakPolarHBondContact CA-OE1 3.31Å; G549-E558 PolarHBondContact N-OE1 3.32Å; P553-E558 HydrophobicContact CB-CB 3.7Å; S554-E558 VanDerWaalsContact CA-OE2 3.3Å; S554-E558 WeakPolarHBondContact CA-OE2 3.44Å; S554-E558 WeakPolarHBondContact CB-OE2 3.35Å; S554-E558 PolarHBondContact N-OE2 2.87Å; T555-E558 PolarHBondContact N-OE2 3.16Å; T555-E558 PolarHBondContact O-N 3.12Å; T555-E558 WeakPolarHBondContact OG1-CG 3.32Å; T555-E558 PolarHBondContact OG1-N 2.87Å; T556-E558 PolarHBondContact O-N 2.83Å; E558-A561 PolarHBondContact O-N 3.22Å; E558-V562 WeakPolarHBondContact O-CG2 3.41Å; E558-V562 PolarHBondContact O-N 3.41Å
559	T	98.1	Very high	97.2	Very high	58 Å²	58	47.3 Å²	47.3	36%	0.356	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-42.5	174.3	-55.9	0	0	0	0	111.7	P553 T555 T556 A557 A561 V562 L563	P553-T559 WeakPolarHBondContact CG-OG1 3.35Å; T555-T559 PolarHBondContact O-N 3.45Å; T555-T559 VanDerWaalsContact O-N 3.13Å; T555-T559 PolarHBondContact O-OG1 2.99Å; T556-T559 WeakPolarHBondContact O-CA 3.41Å; T556-T559 VanDerWaalsContact O-CB 3.3Å; T556-T559 WeakPolarHBondContact O-CB 3.41Å; T556-T559 PolarHBondContact O-N 3.17Å; T556-T559 VanDerWaalsContact O-N 3.07Å; A557-T559 VanDerWaalsContact C-N 3.25Å; A557-T559 PolarHBondContact O-N 3.13Å; T559-A561 VanDerWaalsContact C-N 3.31Å; T559-V562 PolarHBondContact O-N 2.86Å; T559-L563 WeakPolarHBondContact O-CG 3.28Å; T559-L563 PolarHBondContact O-N 2.9Å; T559-L563 VanDerWaalsContact O-N 3.1Å
560	L	98.3	Very high	97.4	Very high	31 Å²	31	46.1 Å²	46.1	16%	0.162	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-39.9	175	-59.5	-179.6	0	0	0	111	T556 A557 L563 A564 L717 V720 A721 M724	T556-L560 WeakPolarHBondContact O-CG 3.46Å; T556-L560 PolarHBondContact O-N 3.18Å; A557-L560 WeakPolarHBondContact O-CB 3.33Å; A557-L560 PolarHBondContact O-N 3.42Å; A557-L560 VanDerWaalsContact O-N 3.14Å; L560-L563 PolarHBondContact O-N 2.93Å; L560-A564 PolarHBondContact O-N 2.9Å; L560-L717 HydrophobicContact CB-CB 4.46Å; L560-L717 HydrophobicContact CB-CD2 4.33Å; L560-L717 HydrophobicContact CD2-CD2 3.74Å; L560-L717 HydrophobicContact CG-CD2 4.49Å; L560-V720 HydrophobicContact CD1-CB 4.45Å; L560-V720 HydrophobicContact CD1-CG1 3.97Å; L560-A721 HydrophobicContact CB-CB 4.11Å; L560-A721 HydrophobicContact CD1-CB 4.43Å; L560-M724 HydrophobicContact CD1-SD 4.12Å
561	A	98.1	Very high	97.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-43.1	176.5	0	0	0	0	0	112.6	G543 L546 M547 A557 E558 T559 L563 A564 A565	G543-A561 WeakPolarHBondContact O-CB 3.07Å; L546-A561 HydrophobicContact CB-CB 3.8Å; L546-A561 WeakPolarHBondContact O-CB 3.38Å; M547-A561 HydrophobicContact CG-CB 3.78Å; A557-A561 WeakPolarHBondContact O-CB 3.34Å; A557-A561 PolarHBondContact O-N 3.13Å; E558-A561 PolarHBondContact O-N 3.22Å; T559-A561 VanDerWaalsContact C-N 3.31Å; A561-L563 VanDerWaalsContact C-N 3.34Å; A561-L563 PolarHBondContact O-N 3.14Å; A561-A564 PolarHBondContact O-N 3.18Å; A561-A565 PolarHBondContact O-N 2.87Å
562	V	98.3	Very high	97.5	Very high	29 Å²	29	37.6 Å²	37.6	18%	0.176	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-45.3	172.4	171.5	0	0	0	0	111.2	M547 E558 T559 A565 F566 A680	M547-V562 HydrophobicContact CE-CG2 3.63Å; M547-V562 HydrophobicContact CG-CG2 4.13Å; M547-V562 HydrophobicContact SD-CG2 4.17Å; E558-V562 WeakPolarHBondContact O-CG2 3.41Å; E558-V562 PolarHBondContact O-N 3.41Å; T559-V562 PolarHBondContact O-N 2.86Å; V562-A565 PolarHBondContact O-N 2.85Å; V562-F566 WeakPolarHBondContact O-CB 3.24Å; V562-F566 PolarHBondContact O-N 3.22Å; V562-A680 HydrophobicContact CG1-CB 4.28Å
563	L	98.1	Very high	97.7	Very high	81 Å²	81	32 Å²	32	42%	0.424	19%	0.189	S	C	.	.	H	α-helix	trans	-63.8	-41.9	178.7	-71.3	174.3	0	0	0	111.5	T559 L560 A561 F566 I567 L717	T559-L563 WeakPolarHBondContact O-CG 3.28Å; T559-L563 PolarHBondContact O-N 2.9Å; T559-L563 VanDerWaalsContact O-N 3.1Å; L560-L563 PolarHBondContact O-N 2.93Å; A561-L563 VanDerWaalsContact C-N 3.34Å; A561-L563 PolarHBondContact O-N 3.14Å; L563-F566 PolarHBondContact O-N 3Å; L563-I567 WeakPolarHBondContact O-CG1 3.35Å; L563-I567 PolarHBondContact O-N 3.09Å; L563-L717 HydrophobicContact CB-CD1 3.94Å
564	A	98.2	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.5	-49.3	175	0	0	0	0	0	111.1	L560 A561 F566 I567 S568 A714 L717	L560-A564 PolarHBondContact O-N 2.9Å; A561-A564 PolarHBondContact O-N 3.18Å; A564-F566 VanDerWaalsContact C-N 3.34Å; A564-F566 PolarHBondContact O-N 3.47Å; A564-I567 WeakPolarHBondContact O-CG1 3.3Å; A564-I567 PolarHBondContact O-N 3.32Å; A564-S568 WeakPolarHBondContact O-CB 3.42Å; A564-S568 PolarHBondContact O-N 3.46Å; A564-S568 PolarHBondContact O-OG 3.1Å; A564-A714 HydrophobicContact CB-CB 4.35Å; A564-L717 HydrophobicContact CB-CB 4.17Å; A564-L717 HydrophobicContact CB-CD1 4.49Å
565	A	98	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-40.8	177.5	0	0	0	0	0	112.6	M547 A561 V562 S569	M547-A565 HydrophobicContact SD-CB 3.85Å; A561-A565 PolarHBondContact O-N 2.87Å; V562-A565 PolarHBondContact O-N 2.85Å; A565-S569 WeakPolarHBondContact O-CB 3.3Å; A565-S569 PolarHBondContact O-N 2.91Å; A565-S569 PolarHBondContact O-OG 2.84Å
566	F	98.3	Very high	97.7	Very high	68 Å²	68	23 Å²	23	30%	0.298	13%	0.128	S	C	.	.	H	α-helix	trans	-60.4	-55.8	176.9	165.8	-104.4	0	0	0	112.2	V562 L563 A564 S568 S569 V570 V683 G684	V562-F566 WeakPolarHBondContact O-CB 3.24Å; V562-F566 PolarHBondContact O-N 3.22Å; L563-F566 PolarHBondContact O-N 3Å; A564-F566 VanDerWaalsContact C-N 3.34Å; A564-F566 PolarHBondContact O-N 3.47Å; F566-S568 VanDerWaalsContact C-N 3.31Å; F566-S568 PolarHBondContact O-N 3.28Å; F566-S569 PolarHBondContact O-N 3.15Å; F566-V570 HydrophobicContact CZ-CG2 4.42Å; F566-V570 PolarHBondContact O-N 2.94Å; F566-V683 HydrophobicContact CD2-CB 4.49Å; F566-V683 HydrophobicContact CD2-CG1 4.47Å; F566-V683 HydrophobicContact CE2-CB 4.32Å; F566-V683 HydrophobicContact CE2-CG1 3.88Å; F566-G684 VanDerWaalsContact CE2-CA 3.47Å
567	I	97.6	Very high	97.7	Very high	17 Å²	17	21 Å²	21	9%	0.087	11%	0.113	C	C	.	.	H	α-helix	trans	-69.1	-31.6	-177.5	65.6	-172.5	0	0	0	112.3	L563 A564 S569 V570 N571 L710 L713 A714 L717	L563-I567 WeakPolarHBondContact O-CG1 3.35Å; L563-I567 PolarHBondContact O-N 3.09Å; A564-I567 WeakPolarHBondContact O-CG1 3.3Å; A564-I567 PolarHBondContact O-N 3.32Å; I567-S569 VanDerWaalsContact C-N 3.31Å; I567-S569 PolarHBondContact O-N 3.09Å; I567-V570 VanDerWaalsContact O-CB 3.31Å; I567-V570 WeakPolarHBondContact O-CB 3.36Å; I567-V570 PolarHBondContact O-N 2.76Å; I567-N571 PolarHBondContact O-N 2.85Å; I567-L710 HydrophobicContact CB-CB 4.41Å; I567-L710 HydrophobicContact CB-CD2 4.39Å; I567-L710 WeakPolarHBondContact CD1-O 3.41Å; I567-L710 HydrophobicContact CG2-CD2 4.49Å; I567-L713 HydrophobicContact CD1-CB 4.07Å; I567-L713 HydrophobicContact CD1-CD2 4.06Å; I567-L713 HydrophobicContact CD1-CG 3.97Å; I567-A714 HydrophobicContact CD1-CB 3.85Å; I567-A714 HydrophobicContact CG1-CB 4Å; I567-L717 HydrophobicContact CD1-CD1 4.11Å
568	S	98.3	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.1	-39.3	174.8	-58.7	0	0	0	0	111.3	G537 T539 A540 A564 F566 V570 N571 I572	G537-S568 WeakPolarHBondContact O-CB 3.47Å; T539-S568 WeakPolarHBondContact CB-OG 3.31Å; T539-S568 WeakPolarHBondContact OG1-CB 3.27Å; T539-S568 PolarHBondContact OG1-OG 2.84Å; A540-S568 VanDerWaalsContact N-CB 3.29Å; A540-S568 PolarHBondContact N-OG 3.34Å; A564-S568 WeakPolarHBondContact O-CB 3.42Å; A564-S568 PolarHBondContact O-N 3.46Å; A564-S568 PolarHBondContact O-OG 3.1Å; F566-S568 VanDerWaalsContact C-N 3.31Å; F566-S568 PolarHBondContact O-N 3.28Å; S568-V570 VanDerWaalsContact C-N 3.3Å; S568-V570 PolarHBondContact O-N 3.14Å; S568-N571 WeakPolarHBondContact O-CB 3.3Å; S568-N571 PolarHBondContact O-N 2.93Å; S568-N571 VanDerWaalsContact O-N 3.11Å; S568-I572 WeakPolarHBondContact O-CG1 3.26Å; S568-I572 PolarHBondContact O-N 3.17Å
569	S	98.3	Very high	97.6	Very high	7 Å²	7	19.6 Å²	19.6	5%	0.049	11%	0.106	C	C	.	.	H	α-helix	trans	-67.1	-29	176.1	-58.2	0	0	0	0	113.2	A565 F566 I567 N571 A573 M681	A565-S569 WeakPolarHBondContact O-CB 3.3Å; A565-S569 PolarHBondContact O-N 2.91Å; A565-S569 PolarHBondContact O-OG 2.84Å; F566-S569 PolarHBondContact O-N 3.15Å; I567-S569 VanDerWaalsContact C-N 3.31Å; I567-S569 PolarHBondContact O-N 3.09Å; S569-N571 VanDerWaalsContact C-N 3.34Å; S569-A573 PolarHBondContact O-N 3.17Å; S569-M681 WeakPolarHBondContact CB-O 3.32Å; S569-M681 WeakPolarHBondContact OG-CA 3.47Å; S569-M681 WeakPolarHBondContact OG-CG 3.31Å
570	V	97.9	Very high	97.5	Very high	10 Å²	10	19 Å²	19	6%	0.061	10%	0.099	C	C	.	.	H	α-helix	trans	-60.2	-46	169.8	179.2	0	0	0	0	110.2	F566 I567 S568 G574 G684 A687 G688 F707 L710	F566-V570 HydrophobicContact CZ-CG2 4.42Å; F566-V570 PolarHBondContact O-N 2.94Å; I567-V570 VanDerWaalsContact O-CB 3.31Å; I567-V570 WeakPolarHBondContact O-CB 3.36Å; I567-V570 PolarHBondContact O-N 2.76Å; S568-V570 VanDerWaalsContact C-N 3.3Å; S568-V570 PolarHBondContact O-N 3.14Å; V570-G574 PolarHBondContact O-N 2.9Å; V570-G684 WeakPolarHBondContact CA-O 3.34Å; V570-G684 WeakPolarHBondContact CG2-O 3.47Å; V570-A687 HydrophobicContact CG2-CB 4.33Å; V570-G688 WeakPolarHBondContact O-CA 3.4Å; V570-F707 HydrophobicContact CG1-CE1 4.36Å; V570-L710 HydrophobicContact CB-CD1 4.17Å; V570-L710 HydrophobicContact CG1-CD1 3.89Å
571	N	95.9	Very high	97.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.9	-44.9	179.3	-80.2	-7.1	0	0	0	112.6	I567 S568 S569 G575 F707 V711	I567-N571 PolarHBondContact O-N 2.85Å; S568-N571 WeakPolarHBondContact O-CB 3.3Å; S568-N571 PolarHBondContact O-N 2.93Å; S568-N571 VanDerWaalsContact O-N 3.11Å; S569-N571 VanDerWaalsContact C-N 3.34Å; N571-G575 PolarHBondContact O-N 3.02Å; N571-F707 PolarHBondContact ND2-O 3.48Å; N571-F707 WeakPolarHBondContact OD1-CA 3.16Å; N571-F707 WeakPolarHBondContact OD1-CB 3.5Å; N571-F707 WeakPolarHBondContact OD1-CD1 3.47Å; N571-F707 WeakPolarHBondContact OD1-CG 3.44Å; N571-F707 PolarHBondContact OD1-O 2.96Å; N571-V711 WeakPolarHBondContact ND2-CG2 3.38Å
572	I	98.2	Very high	97.3	Very high	23 Å²	23	20.7 Å²	20.7	12%	0.118	10%	0.104	C	C	.	.	H	α-helix	trans	-54.5	-59.5	178.1	-66.3	174.6	0	0	0	109.9	G537 A540 S568 F576 V656 L660	G537-I572 WeakPolarHBondContact O-CD1 3.26Å; A540-I572 HydrophobicContact CB-CD1 4.33Å; S568-I572 WeakPolarHBondContact O-CG1 3.26Å; S568-I572 PolarHBondContact O-N 3.17Å; I572-F576 HydrophobicContact CG2-CD2 3.9Å; I572-F576 HydrophobicContact CG2-CE2 3.98Å; I572-F576 WeakPolarHBondContact O-CD2 3.4Å; I572-F576 PolarHBondContact O-N 3.21Å; I572-F576 VanDerWaalsContact O-N 3.16Å; I572-V656 HydrophobicContact CD1-CG1 3.91Å; I572-V656 HydrophobicContact CG1-CG1 4.27Å; I572-V656 HydrophobicContact CG2-CG1 3.98Å; I572-L660 HydrophobicContact CD1-CD1 4.04Å
573	A	97.8	Very high	97.2	Very high	18 Å²	18	19.3 Å²	19.3	15%	0.149	10%	0.095	C	C	.	.	H	α-helix	trans	-72	-36.7	-171.7	0	0	0	0	0	112.2	S569 L577 G685 L689	S569-A573 PolarHBondContact O-N 3.17Å; A573-L577 WeakPolarHBondContact O-CB 3.32Å; A573-L577 PolarHBondContact O-N 3.18Å; A573-G685 WeakPolarHBondContact CB-O 3.27Å; A573-L689 HydrophobicContact CB-CD2 4.09Å; A573-L689 HydrophobicContact CB-CG 3.89Å
574	G	96.2	Very high	97	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.9	-49.7	176.3	0	0	0	0	0	112.5	V570 L577 V578 A692	V570-G574 PolarHBondContact O-N 2.9Å; G574-L577 PolarHBondContact O-N 3.46Å; G574-V578 WeakPolarHBondContact O-CG2 3.11Å; G574-V578 PolarHBondContact O-N 2.69Å; G574-V578 VanDerWaalsContact O-N 3.08Å; G574-A692 WeakPolarHBondContact O-CB 3.42Å
575	G	96.1	Very high	96.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.3	-44.6	-178.5	0	0	0	0	0	113	S530 N571 L577 V578 T579	S530-G575 PolarHBondContact OG-O 3.11Å; N571-G575 PolarHBondContact O-N 3.02Å; G575-L577 PolarHBondContact O-N 3.13Å; G575-V578 PolarHBondContact O-N 2.92Å; G575-T579 WeakPolarHBondContact O-CB 3.41Å; G575-T579 PolarHBondContact O-N 3.41Å; G575-T579 PolarHBondContact O-OG1 3.19Å
576	F	98	Very high	96.7	Very high	16 Å²	16	21.9 Å²	21.9	7%	0.07	11%	0.108	C	C	.	.	H	α-helix	trans	-65.6	-38.1	179	-80.4	-55.3	0	0	0	113	A534 I535 I572 Q580 N649 G652 M653 V656	A534-F576 HydrophobicContact CB-CB 4.5Å; A534-F576 HydrophobicContact CB-CD1 3.83Å; A534-F576 HydrophobicContact CB-CD2 3.89Å; A534-F576 HydrophobicContact CB-CE1 3.89Å; A534-F576 HydrophobicContact CB-CE2 3.95Å; A534-F576 HydrophobicContact CB-CG 3.81Å; A534-F576 HydrophobicContact CB-CZ 3.93Å; I535-F576 HydrophobicContact CG1-CZ 4.4Å; I572-F576 HydrophobicContact CG2-CD2 3.9Å; I572-F576 HydrophobicContact CG2-CE2 3.98Å; I572-F576 WeakPolarHBondContact O-CD2 3.4Å; I572-F576 PolarHBondContact O-N 3.21Å; I572-F576 VanDerWaalsContact O-N 3.16Å; F576-Q580 WeakPolarHBondContact O-CB 3.44Å; F576-Q580 PolarHBondContact O-N 3.21Å; F576-N649 WeakPolarHBondContact CD1-OD1 3.34Å; F576-G652 WeakPolarHBondContact CZ-O 3.46Å; F576-M653 HydrophobicContact CB-CE 4.01Å; F576-M653 HydrophobicContact CB-CG 4.47Å; F576-M653 HydrophobicContact CD1-CE 4.06Å; F576-M653 HydrophobicContact CD1-CG 3.52Å; F576-M653 HydrophobicContact CD2-CG 4.17Å; F576-M653 HydrophobicContact CE1-CB 4.42Å; F576-M653 HydrophobicContact CE1-CG 3.69Å; F576-M653 HydrophobicContact CE2-CG 4.31Å; F576-M653 HydrophobicContact CG-CE 4.25Å; F576-M653 HydrophobicContact CG-CG 3.8Å; F576-M653 HydrophobicContact CZ-CG 4.11Å; F576-V656 HydrophobicContact CE2-CB 4.09Å; F576-V656 HydrophobicContact CE2-CG1 4.38Å; F576-V656 HydrophobicContact CE2-CG2 3.86Å; F576-V656 HydrophobicContact CZ-CB 4.3Å; F576-V656 HydrophobicContact CZ-CG2 3.78Å
577	L	97.4	Very high	96.5	Very high	49 Å²	49	23.1 Å²	23.1	26%	0.257	11%	0.113	S	C	.	.	H	α-helix	trans	-68.5	-43	177.7	-176.8	63.2	0	0	0	112	A573 G574 G575 Q580 R581 L689 A692 K693	A573-L577 WeakPolarHBondContact O-CB 3.32Å; A573-L577 PolarHBondContact O-N 3.18Å; G574-L577 PolarHBondContact O-N 3.46Å; G575-L577 PolarHBondContact O-N 3.13Å; L577-Q580 PolarHBondContact O-N 3.34Å; L577-R581 WeakPolarHBondContact O-CG 3.5Å; L577-R581 PolarHBondContact O-N 2.83Å; L577-L689 HydrophobicContact CB-CD2 4.17Å; L577-L689 HydrophobicContact CD2-CD2 4.04Å; L577-L689 WeakPolarHBondContact CD2-O 3.43Å; L577-A692 HydrophobicContact CB-CB 4.02Å; L577-A692 HydrophobicContact CD2-CB 3.86Å; L577-A692 HydrophobicContact CG-CB 4.23Å; L577-K693 HydrophobicContact CD2-CB 4.03Å
578	V	95.8	Very high	96.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.024	12%	0.121	C	C	.	.	H	α-helix	trans	-64	-42.8	176.8	172.2	0	0	0	0	110.9	G574 G575 Q580 R581 M582 A692 L700 L703	G574-V578 WeakPolarHBondContact O-CG2 3.11Å; G574-V578 PolarHBondContact O-N 2.69Å; G574-V578 VanDerWaalsContact O-N 3.08Å; G575-V578 PolarHBondContact O-N 2.92Å; V578-Q580 PolarHBondContact O-N 3.37Å; V578-R581 PolarHBondContact O-N 3.29Å; V578-M582 HydrophobicContact CG1-CE 3.98Å; V578-M582 HydrophobicContact CG1-SD 4.43Å; V578-M582 WeakPolarHBondContact O-CG 3.4Å; V578-M582 PolarHBondContact O-N 3.22Å; V578-A692 HydrophobicContact CG2-CB 3.62Å; V578-L700 HydrophobicContact CG1-CD1 3.36Å; V578-L703 HydrophobicContact CG2-CD2 3.84Å
579	T	96.6	Very high	95.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.6	-51.2	174.8	-55.8	0	0	0	0	111	S530 V531 G575 R581 M582 L583 N649	S530-T579 WeakPolarHBondContact CB-OG1 3.49Å; S530-T579 PolarHBondContact OG-N 3.38Å; S530-T579 PolarHBondContact OG-OG1 3.49Å; V531-T579 HydrophobicContact CG2-CG2 3.35Å; V531-T579 PolarHBondContact N-OG1 3.42Å; G575-T579 WeakPolarHBondContact O-CB 3.41Å; G575-T579 PolarHBondContact O-N 3.41Å; G575-T579 PolarHBondContact O-OG1 3.19Å; T579-R581 VanDerWaalsContact C-N 3.34Å; T579-R581 PolarHBondContact O-N 3.38Å; T579-M582 PolarHBondContact O-N 3.2Å; T579-L583 HydrophobicContact CG2-CD1 3.85Å; T579-L583 HydrophobicContact CG2-CG 4.25Å; T579-L583 WeakPolarHBondContact O-CG 3.3Å; T579-L583 PolarHBondContact O-N 3.07Å; T579-N649 HydrophobicContact CG2-CB 4.1Å; T579-N649 WeakPolarHBondContact CG2-OD1 3.39Å
580	Q	96.9	Very high	95.7	Very high	45 Å²	45	37.4 Å²	37.4	21%	0.21	20%	0.197	C	C	.	.	H	α-helix	trans	-57.4	-48.1	179.8	-173.6	60.6	39.9	0	0	111.3	F576 L577 V578 M582 L583 D584 N649	F576-Q580 WeakPolarHBondContact O-CB 3.44Å; F576-Q580 PolarHBondContact O-N 3.21Å; L577-Q580 PolarHBondContact O-N 3.34Å; V578-Q580 PolarHBondContact O-N 3.37Å; Q580-M582 VanDerWaalsContact C-N 3.34Å; Q580-M582 PolarHBondContact O-N 3.06Å; Q580-L583 PolarHBondContact O-N 3.45Å; Q580-D584 VanDerWaalsContact NE2-CG 3.26Å; Q580-D584 PolarHBondContact NE2-OD1 3.33Å; Q580-D584 PolarHBondContact NE2-OD2 3Å; Q580-D584 WeakPolarHBondContact O-CB 3.49Å; Q580-D584 VanDerWaalsContact O-CG 3.24Å; Q580-D584 PolarHBondContact O-N 2.85Å; Q580-N649 PolarHBondContact OE1-ND2 3.38Å
581	R	95.9	Very high	95.4	Very high	67 Å²	67	38.2 Å²	38.2	25%	0.253	20%	0.201	S	C	.	.	H	α-helix	trans	-56.9	-44.6	178.8	-74.6	177.9	65.7	-160.9	-3.9	112.5	L577 V578 T579 M585 A692 I695	L577-R581 WeakPolarHBondContact O-CG 3.5Å; L577-R581 PolarHBondContact O-N 2.83Å; V578-R581 PolarHBondContact O-N 3.29Å; T579-R581 VanDerWaalsContact C-N 3.34Å; T579-R581 PolarHBondContact O-N 3.38Å; R581-M585 WeakPolarHBondContact O-CG 3.32Å; R581-M585 PolarHBondContact O-N 2.77Å; R581-A692 PolarHBondContact NH1-O 3.39Å; R581-I695 PolarHBondContact NH1-O 3.15Å; R581-I695 PolarHBondContact NH2-O 2.73Å; R581-I695 VanDerWaalsContact NH2-O 3.07Å
582	M	95.3	Very high	95.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-44.1	179.5	-68.6	-174.7	-64.7	0	0	112	P527 V578 T579 Q580 D584 M585 F586 I697 L700 V976	P527-M582 HydrophobicContact CB-CE 4.37Å; P527-M582 HydrophobicContact CG-CB 4.31Å; P527-M582 HydrophobicContact CG-CE 4.31Å; V578-M582 HydrophobicContact CG1-CE 3.98Å; V578-M582 HydrophobicContact CG1-SD 4.43Å; V578-M582 WeakPolarHBondContact O-CG 3.4Å; V578-M582 PolarHBondContact O-N 3.22Å; T579-M582 PolarHBondContact O-N 3.2Å; Q580-M582 VanDerWaalsContact C-N 3.34Å; Q580-M582 PolarHBondContact O-N 3.06Å; M582-D584 VanDerWaalsContact C-N 3.28Å; M582-D584 PolarHBondContact O-N 3.31Å; M582-M585 WeakPolarHBondContact O-CB 3.33Å; M582-M585 PolarHBondContact O-N 2.96Å; M582-M585 VanDerWaalsContact O-N 3.14Å; M582-F586 VanDerWaalsContact O-CD2 3.26Å; M582-F586 WeakPolarHBondContact O-CD2 3.26Å; M582-I697 HydrophobicContact CG-CD1 4.31Å; M582-L700 HydrophobicContact CE-CD2 4.34Å; M582-L700 HydrophobicContact SD-CD2 3.3Å; M582-L700 WeakPolarHBondContact SD-CD2 3.28Å; M582-V976 HydrophobicContact CB-CG1 4.2Å; M582-V976 HydrophobicContact CG-CG1 3.96Å; M582-V976 HydrophobicContact SD-CG1 4.31Å
583	L	95.8	Very high	95.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-35.1	-179.4	-68.2	-178.9	0	0	0	112.1	L524 P527 T579 Q580 M585 F586 L639 A645 N649	L524-L583 HydrophobicContact CD2-CD2 3.99Å; P527-L583 HydrophobicContact CB-CD2 3.8Å; P527-L583 HydrophobicContact CB-CG 4.48Å; P527-L583 HydrophobicContact CG-CD2 3.99Å; T579-L583 HydrophobicContact CG2-CD1 3.85Å; T579-L583 HydrophobicContact CG2-CG 4.25Å; T579-L583 WeakPolarHBondContact O-CG 3.3Å; T579-L583 PolarHBondContact O-N 3.07Å; Q580-L583 PolarHBondContact O-N 3.45Å; L583-M585 VanDerWaalsContact C-N 3.26Å; L583-M585 PolarHBondContact O-N 3.12Å; L583-F586 PolarHBondContact O-N 3.12Å; L583-L639 HydrophobicContact CD1-CD2 4.47Å; L583-L639 HydrophobicContact CD2-CD2 4.25Å; L583-A645 HydrophobicContact CD1-CB 4.38Å; L583-A645 WeakPolarHBondContact CD1-O 3.38Å; L583-A645 HydrophobicContact CD2-CB 3.72Å; L583-N649 HydrophobicContact CD1-CB 3.86Å
584	D	95.6	Very high	95.1	Very high	76 Å²	76	48.8 Å²	48.8	41%	0.406	26%	0.264	S	S	.	.	H	α-helix	trans	-67.7	-24.4	176.4	-70.3	-24.8	0	0	0	112.7	Q580 M582 F586 K587	Q580-D584 VanDerWaalsContact NE2-CG 3.26Å; Q580-D584 PolarHBondContact NE2-OD1 3.33Å; Q580-D584 PolarHBondContact NE2-OD2 3Å; Q580-D584 WeakPolarHBondContact O-CB 3.49Å; Q580-D584 VanDerWaalsContact O-CG 3.24Å; Q580-D584 PolarHBondContact O-N 2.85Å; M582-D584 VanDerWaalsContact C-N 3.28Å; M582-D584 PolarHBondContact O-N 3.31Å; D584-F586 VanDerWaalsContact C-N 3.3Å; D584-F586 PolarHBondContact O-N 3.1Å; D584-K587 WeakPolarHBondContact O-CB 3.29Å; D584-K587 PolarHBondContact O-N 3.32Å
585	M	94.2	Very high	95.1	Very high	49 Å²	49	55.4 Å²	55.4	24%	0.241	29%	0.289	C	S	.	.	H	α-helix	trans	-70.3	-26.4	176.1	-68.1	167.3	-175.1	0	0	113	R581 M582 L583 K587 I697 V976 A979 E980	R581-M585 WeakPolarHBondContact O-CG 3.32Å; R581-M585 PolarHBondContact O-N 2.77Å; M582-M585 WeakPolarHBondContact O-CB 3.33Å; M582-M585 PolarHBondContact O-N 2.96Å; M582-M585 VanDerWaalsContact O-N 3.14Å; L583-M585 VanDerWaalsContact C-N 3.26Å; L583-M585 PolarHBondContact O-N 3.12Å; M585-K587 VanDerWaalsContact C-N 3.27Å; M585-I697 HydrophobicContact CE-CD1 3.73Å; M585-I697 HydrophobicContact CE-CG1 3.54Å; M585-I697 HydrophobicContact SD-CD1 4.19Å; M585-I697 HydrophobicContact SD-CG1 3.85Å; M585-V976 HydrophobicContact SD-CG1 4.37Å; M585-A979 HydrophobicContact CB-CB 4.29Å; M585-E980 HydrophobicContact CE-CG 4.48Å; M585-E980 HydrophobicContact SD-CB 3.91Å; M585-E980 HydrophobicContact SD-CG 4.21Å
586	F	94.4	Very high	95.1	Very high	10 Å²	10	58 Å²	58	4%	0.044	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.3	176.8	-70.8	-82.1	0	0	0	113.5	L524 P527 M582 L583 D584 R588 Q642 N975 V976 A979	L524-F586 HydrophobicContact CD2-CD2 4.34Å; L524-F586 HydrophobicContact CD2-CE2 4.08Å; L524-F586 HydrophobicContact CD2-CZ 4.43Å; P527-F586 HydrophobicContact CG-CE2 4.3Å; M582-F586 VanDerWaalsContact O-CD2 3.26Å; M582-F586 WeakPolarHBondContact O-CD2 3.26Å; L583-F586 PolarHBondContact O-N 3.12Å; D584-F586 VanDerWaalsContact C-N 3.3Å; D584-F586 PolarHBondContact O-N 3.1Å; F586-R588 PolarHBondContact O-N 3.46Å; F586-Q642 HydrophobicContact CB-CG 4.42Å; F586-N975 HydrophobicContact CE1-CB 4.47Å; F586-N975 HydrophobicContact CZ-CB 4.42Å; F586-V976 HydrophobicContact CE2-CG2 4.02Å; F586-V976 HydrophobicContact CZ-CB 4.47Å; F586-V976 HydrophobicContact CZ-CG2 3.94Å; F586-A979 HydrophobicContact CD1-CB 3.64Å; F586-A979 HydrophobicContact CD2-CB 4.48Å; F586-A979 HydrophobicContact CE1-CB 3.74Å; F586-A979 HydrophobicContact CG-CB 4.04Å; F586-A979 HydrophobicContact CZ-CB 4.22Å
587	K	94	Very high	95	Very high	94 Å²	94	64.1 Å²	64.1	41%	0.409	33%	0.327	S	S	.	.			trans	-70.4	122.8	178	-176.5	178.1	176	178.7	0	109.4	D584 M585	D584-K587 WeakPolarHBondContact O-CB 3.29Å; D584-K587 PolarHBondContact O-N 3.32Å; M585-K587 VanDerWaalsContact C-N 3.27Å
588	R	92.8	Very high	95	Very high	64 Å²	64	65.9 Å²	65.9	24%	0.242	34%	0.336	C	S	.	.			trans	-78.1	146.7	177.1	-61.1	176.9	-63.4	-174.2	0.5	109.9	F586 T590 D591 Y985 D986	F586-R588 PolarHBondContact O-N 3.46Å; R588-T590 PolarHBondContact O-N 2.85Å; R588-T590 VanDerWaalsContact O-N 3.11Å; R588-D591 WeakPolarHBondContact CB-OD2 3.49Å; R588-D591 IonicContact CZ-OD1 2.62Å; R588-D591 VanDerWaalsContact CZ-OD1 3.27Å; R588-D591 PolarHBondContact N-OD2 3.14Å; R588-D591 IonicContact NE-OD1 3.05Å; R588-D591 PolarHBondContact NE-OD1 3.38Å; R588-D591 IonicContact NE-OD2 3.72Å; R588-D591 IonicContact NH2-OD1 3.49Å; R588-D591 PolarHBondContact NH2-OD1 3.22Å; R588-D591 PolarHBondContact O-N 3.39Å; R588-D591 VanDerWaalsContact O-N 3.11Å; R588-Y985 HydrophobicContact CG-CD1 4.29Å; R588-Y985 HydrophobicContact CG-CE1 4.05Å; R588-Y985 PolarHBondContact NH2-OH 2.87Å; R588-D986 IonicContact NH1-OD2 2.92Å; R588-D986 PolarHBondContact NH1-OD2 2.98Å; R588-D986 VanDerWaalsContact NH1-OD2 3.15Å
589	P	91.3	Very high	95.1	Very high	140 Å²	140	69.7 Å²	69.7	91%	0.909	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.3	172.3	-24.7	34.5	0	0	0	113.7
590	T	93	Very high	95.2	Very high	120 Å²	120	75.7 Å²	75.7	74%	0.736	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-4.5	-179.2	53.7	0	0	0	0	114	R588	R588-T590 PolarHBondContact O-N 2.85Å; R588-T590 VanDerWaalsContact O-N 3.11Å
591	D	92.5	Very high	95.2	Very high	27 Å²	27	79.3 Å²	79.3	14%	0.144	40%	0.402	C	S	.	.	S	Bend	trans	-68.5	147.8	177.3	-72.4	-27.5	0	0	0	110.9	R588	R588-D591 WeakPolarHBondContact CB-OD2 3.49Å; R588-D591 IonicContact CZ-OD1 2.62Å; R588-D591 VanDerWaalsContact CZ-OD1 3.27Å; R588-D591 PolarHBondContact N-OD2 3.14Å; R588-D591 IonicContact NE-OD1 3.05Å; R588-D591 PolarHBondContact NE-OD1 3.38Å; R588-D591 IonicContact NE-OD2 3.72Å; R588-D591 IonicContact NH2-OD1 3.49Å; R588-D591 PolarHBondContact NH2-OD1 3.22Å; R588-D591 PolarHBondContact O-N 3.39Å; R588-D591 VanDerWaalsContact O-N 3.11Å
592	P	94.8	Very high	95.3	Very high	99 Å²	99	79.2 Å²	79.2	64%	0.643	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-56.8	152.8	174.5	-24.6	34.3	0	0	0	112.9	E594	P592-E594 PolarHBondContact O-N 3.1Å
593	P	95.4	Very high	95.4	Very high	97 Å²	97	80.4 Å²	80.4	63%	0.63	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-57.8	133.9	171.9	-22.9	33.4	0	0	0	111.8
594	E	94.4	Very high	95.4	Very high	68 Å²	68	82.6 Å²	82.6	32%	0.318	44%	0.443	S	S	.	.			trans	-108.1	144.1	178.3	-53.5	-168.2	146	0	0	110.7	P592 R646	P592-E594 PolarHBondContact O-N 3.1Å; E594-R646 VanDerWaalsContact CD-NH2 3.29Å; E594-R646 IonicContact OE1-CZ 2.66Å; E594-R646 IonicContact OE1-NE 2.85Å; E594-R646 PolarHBondContact OE1-NE 2.87Å; E594-R646 IonicContact OE1-NH2 3.53Å; E594-R646 PolarHBondContact OE1-NH2 3.14Å; E594-R646 IonicContact OE2-CZ 2.58Å; E594-R646 IonicContact OE2-NE 3.53Å; E594-R646 PolarHBondContact OE2-NE 3.3Å; E594-R646 IonicContact OE2-NH2 2.58Å; E594-R646 PolarHBondContact OE2-NH2 3.5Å
595	Y	96.8	Very high	95.6	Very high	138 Å²	138	84.2 Å²	84.2	54%	0.541	46%	0.455	S	S	.	.			trans	-115	55.2	-174.7	-56.6	-75.2	0	0	0	111.6	Y597 L598	Y595-Y597 AromaticContact CD1-CE1 3.78Å; Y595-Y597 HydrophobicContact CD1-CE1 3.78Å; Y595-Y597 AromaticContact CD1-CZ 3.92Å; Y595-Y597 WeakPolarHBondContact CD1-OH 3.26Å; Y595-Y597 HydrophobicContact CG-CE1 4.36Å; Y595-Y597 PolarHBondContact O-N 3.29Å; Y595-L598 WeakPolarHBondContact O-CB 3.38Å; Y595-L598 WeakPolarHBondContact O-CG 3.46Å; Y595-L598 PolarHBondContact O-N 3.05Å
596	N	95.8	Very high	95.7	Very high	54 Å²	54	84.1 Å²	84.1	29%	0.289	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-58.4	-23.6	-173.2	-67.8	-31.6	0	0	0	114.1	L598 Y599	N596-L598 PolarHBondContact O-N 2.97Å; N596-Y599 HydrophobicContact CB-CD2 4.49Å; N596-Y599 VanDerWaalsContact O-CD2 3.32Å; N596-Y599 WeakPolarHBondContact O-CD2 3.49Å; N596-Y599 PolarHBondContact O-N 3.46Å
597	Y	96.8	Very high	95.8	Very high	145 Å²	145	85.9 Å²	85.9	57%	0.569	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-62.2	-21.5	174.7	63.1	-98.8	0	0	0	113.4	Y595 Y599 L600	Y595-Y597 AromaticContact CD1-CE1 3.78Å; Y595-Y597 HydrophobicContact CD1-CE1 3.78Å; Y595-Y597 AromaticContact CD1-CZ 3.92Å; Y595-Y597 WeakPolarHBondContact CD1-OH 3.26Å; Y595-Y597 HydrophobicContact CG-CE1 4.36Å; Y595-Y597 PolarHBondContact O-N 3.29Å; Y597-Y599 PolarHBondContact O-N 3.38Å; Y597-L600 VanDerWaalsContact O-CB 3.24Å; Y597-L600 WeakPolarHBondContact O-CB 3.43Å; Y597-L600 VanDerWaalsContact O-CG 3.3Å; Y597-L600 WeakPolarHBondContact O-CG 3.49Å; Y597-L600 PolarHBondContact O-N 3.28Å
598	L	98	Very high	95.9	Very high	86 Å²	86	83.3 Å²	83.3	45%	0.45	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-64.2	-24.2	176.8	-67.5	177	0	0	0	112.4	Y595 N596 L600 L601	Y595-L598 WeakPolarHBondContact O-CB 3.38Å; Y595-L598 WeakPolarHBondContact O-CG 3.46Å; Y595-L598 PolarHBondContact O-N 3.05Å; N596-L598 PolarHBondContact O-N 2.97Å; L598-L600 PolarHBondContact O-N 2.95Å; L598-L601 VanDerWaalsContact O-CB 3.26Å; L598-L601 WeakPolarHBondContact O-CB 3.42Å; L598-L601 VanDerWaalsContact O-CG 3.28Å; L598-L601 WeakPolarHBondContact O-CG 3.43Å; L598-L601 PolarHBondContact O-N 3.09Å
599	Y	97.8	Very high	96.1	Very high	85 Å²	85	82.1 Å²	82.1	33%	0.333	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-72	-4.4	174.4	-60.6	-60.8	0	0	0	113.6	N596 Y597 L601 P602 A603 L647 T650	N596-Y599 HydrophobicContact CB-CD2 4.49Å; N596-Y599 VanDerWaalsContact O-CD2 3.32Å; N596-Y599 WeakPolarHBondContact O-CD2 3.49Å; N596-Y599 PolarHBondContact O-N 3.46Å; Y597-Y599 PolarHBondContact O-N 3.38Å; Y599-L601 PolarHBondContact O-N 3.45Å; Y599-P602 VanDerWaalsContact O-CD 3.26Å; Y599-P602 WeakPolarHBondContact O-CD 3.35Å; Y599-P602 VanDerWaalsContact O-CG 3.27Å; Y599-P602 WeakPolarHBondContact O-CG 3.46Å; Y599-A603 PolarHBondContact O-N 2.75Å; Y599-L647 HydrophobicContact CD1-CD1 4.05Å; Y599-L647 HydrophobicContact CE1-CD1 3.61Å; Y599-L647 HydrophobicContact CE2-CD1 4.34Å; Y599-T650 VanDerWaalsContact CB-CG2 3.43Å; Y599-T650 HydrophobicContact CD2-CG2 4.18Å; Y599-T650 HydrophobicContact CG-CG2 4Å
600	L	97.3	Very high	96.4	Very high	125 Å²	125	75.9 Å²	75.9	65%	0.654	43%	0.431	S	S	*	.	H	α-helix	trans	-65.7	-23.6	164	-66	174.3	0	0	0	112.2	Y597 L598 A603 G604	Y597-L600 VanDerWaalsContact O-CB 3.24Å; Y597-L600 WeakPolarHBondContact O-CB 3.43Å; Y597-L600 VanDerWaalsContact O-CG 3.3Å; Y597-L600 WeakPolarHBondContact O-CG 3.49Å; Y597-L600 PolarHBondContact O-N 3.28Å; L598-L600 PolarHBondContact O-N 2.95Å; L600-A603 PolarHBondContact O-N 2.83Å; L600-G604 PolarHBondContact O-N 3.36Å
601	L	97.9	Very high	96.5	Very high	121 Å²	121	72.8 Å²	72.8	63%	0.634	42%	0.418	S	S	*	.	H	α-helix	trans	-60.2	-58.2	176.7	-64.4	171.8	0	0	0	112	L598 Y599 A603 G604 V605	L598-L601 VanDerWaalsContact O-CB 3.26Å; L598-L601 WeakPolarHBondContact O-CB 3.42Å; L598-L601 VanDerWaalsContact O-CG 3.28Å; L598-L601 WeakPolarHBondContact O-CG 3.43Å; L598-L601 PolarHBondContact O-N 3.09Å; Y599-L601 PolarHBondContact O-N 3.45Å; L601-A603 VanDerWaalsContact C-N 3.31Å; L601-A603 PolarHBondContact O-N 2.99Å; L601-G604 PolarHBondContact O-N 3.12Å; L601-V605 WeakPolarHBondContact O-CG2 3.47Å; L601-V605 PolarHBondContact O-N 3.28Å
602	P	97.6	Very high	96.6	Very high	66 Å²	66	74.2 Å²	74.2	43%	0.429	43%	0.433	S	S	.	.	H	α-helix	trans	-63.1	-35.8	176.1	23.7	-33.8	0	0	0	112.4	Y599 V605 F606 I654	Y599-P602 VanDerWaalsContact O-CD 3.26Å; Y599-P602 WeakPolarHBondContact O-CD 3.35Å; Y599-P602 VanDerWaalsContact O-CG 3.27Å; Y599-P602 WeakPolarHBondContact O-CG 3.46Å; P602-V605 PolarHBondContact O-N 2.65Å; P602-F606 WeakPolarHBondContact O-CB 3.47Å; P602-F606 PolarHBondContact O-N 2.93Å; P602-I654 HydrophobicContact CG-CD1 4.3Å
603	A	97.3	Very high	96.7	Very high	24 Å²	24	70.6 Å²	70.6	20%	0.198	41%	0.411	C	S	.	.	H	α-helix	trans	-60.8	-48	176.9	0	0	0	0	0	112.3	Y599 L600 L601 F606 V607 I654	Y599-A603 PolarHBondContact O-N 2.75Å; L600-A603 PolarHBondContact O-N 2.83Å; L601-A603 VanDerWaalsContact C-N 3.31Å; L601-A603 PolarHBondContact O-N 2.99Å; A603-F606 PolarHBondContact O-N 3.28Å; A603-V607 PolarHBondContact O-N 2.97Å; A603-I654 HydrophobicContact CB-CD1 4.04Å; A603-I654 HydrophobicContact CB-CG1 3.76Å
604	G	96.8	Very high	96.6	Very high	46 Å²	46	68.3 Å²	68.3	47%	0.474	39%	0.393	S	S	.	.	H	α-helix	trans	-65.4	-39.9	179.1	0	0	0	0	0	112.4	L600 L601 G608	L600-G604 PolarHBondContact O-N 3.36Å; L601-G604 PolarHBondContact O-N 3.12Å; G604-G608 WeakPolarHBondContact O-CA 3.5Å; G604-G608 PolarHBondContact O-N 2.64Å
605	V	97.9	Very high	96.6	Very high	110 Å²	110	73.4 Å²	73.4	67%	0.667	42%	0.417	S	S	*	.	H	α-helix	trans	-66.7	-41.7	174.2	172.6	0	0	0	0	111.3	L601 P602 G609	L601-V605 WeakPolarHBondContact O-CG2 3.47Å; L601-V605 PolarHBondContact O-N 3.28Å; P602-V605 PolarHBondContact O-N 2.65Å; V605-G609 WeakPolarHBondContact O-CA 3.45Å; V605-G609 PolarHBondContact O-N 3.44Å
606	F	97.8	Very high	96.6	Very high	47 Å²	47	70 Å²	70	21%	0.206	42%	0.418	C	S	.	.	H	α-helix	trans	-67.3	-55.1	-176.7	-174	-131.5	0	0	0	112	P602 A603 Y610 M624 I654	P602-F606 WeakPolarHBondContact O-CB 3.47Å; P602-F606 PolarHBondContact O-N 2.93Å; A603-F606 PolarHBondContact O-N 3.28Å; F606-Y610 PolarHBondContact O-N 3.41Å; F606-Y610 VanDerWaalsContact O-N 3.16Å; F606-M624 HydrophobicContact CD1-CE 4.16Å; F606-M624 HydrophobicContact CD2-CE 4.04Å; F606-M624 HydrophobicContact CD2-SD 4Å; F606-M624 HydrophobicContact CE1-CE 3.84Å; F606-M624 HydrophobicContact CE2-CE 3.68Å; F606-M624 HydrophobicContact CE2-SD 3.47Å; F606-M624 WeakPolarHBondContact CE2-SD 3.36Å; F606-M624 HydrophobicContact CG-CE 4.26Å; F606-M624 HydrophobicContact CZ-CE 3.57Å; F606-M624 HydrophobicContact CZ-SD 3.85Å; F606-I654 HydrophobicContact CD1-CG2 3.81Å; F606-I654 HydrophobicContact CE1-CG2 4.43Å
607	V	96.4	Very high	96.4	Very high	48 Å²	48	70.3 Å²	70.3	29%	0.291	43%	0.433	S	S	.	.	H	α-helix	trans	-77.6	-40	-178.9	180	0	0	0	0	111.8	A603 Y610 A611 A657 A661	A603-V607 PolarHBondContact O-N 2.97Å; V607-Y610 WeakPolarHBondContact O-CB 3.48Å; V607-Y610 PolarHBondContact O-N 2.83Å; V607-A611 PolarHBondContact O-N 3.03Å; V607-A657 HydrophobicContact CG2-CB 4.49Å; V607-A661 HydrophobicContact CG1-CB 3.97Å
608	G	95.8	Very high	96.4	Very high	40 Å²	40	70.6 Å²	70.6	41%	0.412	43%	0.434	S	S	.	.	H	α-helix	trans	-68.6	-37.7	177.4	0	0	0	0	0	112.6	G604 Y610 A611 A612	G604-G608 WeakPolarHBondContact O-CA 3.5Å; G604-G608 PolarHBondContact O-N 2.64Å; G608-Y610 VanDerWaalsContact C-N 3.35Å; G608-A611 PolarHBondContact O-N 3.45Å; G608-A612 PolarHBondContact O-N 2.86Å
609	G	96.5	Very high	96.2	Very high	38 Å²	38	71.8 Å²	71.8	39%	0.392	44%	0.441	S	S	.	.	H	α-helix	trans	-63.4	-39.8	172.1	0	0	0	0	0	112.2	V605 A612 A613	V605-G609 WeakPolarHBondContact O-CA 3.45Å; V605-G609 PolarHBondContact O-N 3.44Å; G609-A612 PolarHBondContact O-N 3.45Å; G609-A613 WeakPolarHBondContact O-CB 3.15Å; G609-A613 PolarHBondContact O-N 2.98Å
610	Y	97.1	Very high	96.1	Very high	10 Å²	10	70.1 Å²	70.1	4%	0.039	44%	0.44	C	S	.	.	H	α-helix	trans	-60	-48.2	171.2	176.5	-112.4	0	0	0	112.1	F606 V607 G608 A612 A613 L614 V620 E621 M624 A661 A662 G665	F606-Y610 PolarHBondContact O-N 3.41Å; F606-Y610 VanDerWaalsContact O-N 3.16Å; V607-Y610 WeakPolarHBondContact O-CB 3.48Å; V607-Y610 PolarHBondContact O-N 2.83Å; G608-Y610 VanDerWaalsContact C-N 3.35Å; Y610-A612 VanDerWaalsContact C-N 3.31Å; Y610-A612 PolarHBondContact O-N 2.9Å; Y610-A613 PolarHBondContact O-N 3.4Å; Y610-A613 VanDerWaalsContact O-N 3.17Å; Y610-L614 HydrophobicContact CE1-CD2 4.34Å; Y610-L614 WeakPolarHBondContact O-CB 3.45Å; Y610-L614 PolarHBondContact O-N 2.99Å; Y610-V620 HydrophobicContact CD2-CG2 3.54Å; Y610-V620 HydrophobicContact CE2-CG2 3.78Å; Y610-E621 PolarHBondContact OH-OE1 2.98Å; Y610-M624 HydrophobicContact CD2-CE 4.43Å; Y610-M624 HydrophobicContact CD2-CG 3.5Å; Y610-M624 VanDerWaalsContact CD2-CG 3.5Å; Y610-M624 HydrophobicContact CD2-SD 4.03Å; Y610-M624 HydrophobicContact CE2-CG 3.99Å; Y610-M624 HydrophobicContact CG-CE 3.98Å; Y610-M624 HydrophobicContact CG-CG 4.01Å; Y610-M624 HydrophobicContact CG-SD 4.09Å; Y610-A661 HydrophobicContact CD1-CB 4.36Å; Y610-A661 VanDerWaalsContact CE1-O 3.32Å; Y610-A661 WeakPolarHBondContact CE1-O 3.37Å; Y610-A662 PolarHBondContact OH-O 3.41Å; Y610-G665 WeakPolarHBondContact OH-CA 3.26Å
611	A	95.3	Very high	96	Very high	55 Å²	55	65.2 Å²	65.2	46%	0.455	41%	0.414	S	S	.	.	H	α-helix	trans	-59.4	-41.3	178.3	0	0	0	0	0	112.3	V607 G608 L614 Q615	V607-A611 PolarHBondContact O-N 3.03Å; G608-A611 PolarHBondContact O-N 3.45Å; A611-L614 PolarHBondContact O-N 3.04Å; A611-Q615 WeakPolarHBondContact O-CB 3.26Å; A611-Q615 PolarHBondContact O-N 3.34Å
612	A	96.3	Very high	95.9	Very high	57 Å²	57	64.6 Å²	64.6	47%	0.471	41%	0.407	S	S	.	.	H	α-helix	trans	-65	-41.8	175.3	0	0	0	0	0	112.3	G608 G609 Y610 Q615 A616	G608-A612 PolarHBondContact O-N 2.86Å; G609-A612 PolarHBondContact O-N 3.45Å; Y610-A612 VanDerWaalsContact C-N 3.31Å; Y610-A612 PolarHBondContact O-N 2.9Å; A612-Q615 PolarHBondContact O-N 2.85Å; A612-A616 WeakPolarHBondContact O-CB 3.38Å; A612-A616 PolarHBondContact O-N 3.25Å
613	A	95.8	Very high	95.9	Very high	22 Å²	22	67.9 Å²	67.9	18%	0.182	42%	0.419	C	S	.	.	H	α-helix	trans	-64	-43.6	176.1	0	0	0	0	0	111.7	G609 Y610 A616 G617 Y618 V620	G609-A613 WeakPolarHBondContact O-CB 3.15Å; G609-A613 PolarHBondContact O-N 2.98Å; Y610-A613 PolarHBondContact O-N 3.4Å; Y610-A613 VanDerWaalsContact O-N 3.17Å; A613-A616 CarbonylContact O-C 3.38Å; A613-A616 PolarHBondContact O-N 2.83Å; A613-G617 PolarHBondContact O-N 3.28Å; A613-Y618 WeakPolarHBondContact O-CB 3.36Å; A613-Y618 PolarHBondContact O-N 3.36Å; A613-V620 HydrophobicContact CB-CG2 4.31Å
614	L	94.1	Very high	96	Very high	49 Å²	49	67.3 Å²	67.3	26%	0.257	41%	0.412	S	S	.	.	H	α-helix	trans	-61.9	-43.3	176.3	-174.7	66.9	0	0	0	111.1	Y610 A611 A616 G617	Y610-L614 HydrophobicContact CE1-CD2 4.34Å; Y610-L614 WeakPolarHBondContact O-CB 3.45Å; Y610-L614 PolarHBondContact O-N 2.99Å; A611-L614 PolarHBondContact O-N 3.04Å; L614-A616 VanDerWaalsContact C-N 3.29Å; L614-A616 PolarHBondContact O-N 3.18Å; L614-G617 PolarHBondContact O-N 2.91Å
615	Q	94.1	Very high	96	Very high	176 Å²	176	65.8 Å²	65.8	82%	0.822	39%	0.392	S	S	*	.	H	α-helix	trans	-63.8	-34.9	175	-172.9	178.1	15.9	0	0	112.3	A611 A612 G617	A611-Q615 WeakPolarHBondContact O-CB 3.26Å; A611-Q615 PolarHBondContact O-N 3.34Å; A612-Q615 PolarHBondContact O-N 2.85Å; Q615-G617 PolarHBondContact O-N 3.33Å
616	A	95.6	Very high	96	Very high	67 Å²	67	64.7 Å²	64.7	55%	0.554	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	0.1	174.6	0	0	0	0	0	113.7	A612 A613 L614 Y618	A612-A616 WeakPolarHBondContact O-CB 3.38Å; A612-A616 PolarHBondContact O-N 3.25Å; A613-A616 CarbonylContact O-C 3.38Å; A613-A616 PolarHBondContact O-N 2.83Å; L614-A616 VanDerWaalsContact C-N 3.29Å; L614-A616 PolarHBondContact O-N 3.18Å; A616-Y618 HydrophobicContact CB-CD2 3.78Å; A616-Y618 HydrophobicContact CB-CE2 3.83Å
617	G	93.4	Very high	96.1	Very high	59 Å²	59	63.2 Å²	63.2	61%	0.608	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	12.6	175.8	0	0	0	0	0	115.1	A613 L614 Q615	A613-G617 PolarHBondContact O-N 3.28Å; L614-G617 PolarHBondContact O-N 2.91Å; Q615-G617 PolarHBondContact O-N 3.33Å
618	Y	95.9	Very high	96.2	Very high	152 Å²	152	61 Å²	61	60%	0.596	37%	0.367	S	S	*	.			trans	-83.5	146	173.3	-62.8	-77.9	0	0	0	111.4	A613 A616	A613-Y618 WeakPolarHBondContact O-CB 3.36Å; A613-Y618 PolarHBondContact O-N 3.36Å; A616-Y618 HydrophobicContact CB-CD2 3.78Å; A616-Y618 HydrophobicContact CB-CE2 3.83Å
619	N	94	Very high	96.3	Very high	111 Å²	111	59.1 Å²	59.1	59%	0.594	35%	0.347	S	S	*	.			trans	-110.8	106.6	171.6	-57.4	-52.3	0	0	0	108	E621	N619-E621 VanDerWaalsContact CA-OE2 3.24Å; N619-E621 WeakPolarHBondContact CA-OE2 3.35Å; N619-E621 VanDerWaalsContact CB-OE2 3.29Å; N619-E621 WeakPolarHBondContact CB-OE2 3.46Å
620	V	95.5	Very high	96.4	Very high	50 Å²	50	62.5 Å²	62.5	30%	0.303	36%	0.356	S	S	.	.			trans	-124.9	19.6	-174.8	-61.3	0	0	0	0	112.5	Y610 A613 Q622 M623 M624	Y610-V620 HydrophobicContact CD2-CG2 3.54Å; Y610-V620 HydrophobicContact CE2-CG2 3.78Å; A613-V620 HydrophobicContact CB-CG2 4.31Å; V620-Q622 VanDerWaalsContact C-N 3.32Å; V620-Q622 PolarHBondContact O-N 3.21Å; V620-M623 WeakPolarHBondContact O-CB 2.95Å; V620-M623 PolarHBondContact O-N 3.04Å; V620-M624 HydrophobicContact CG2-CG 4.36Å; V620-M624 PolarHBondContact O-N 3.16Å
621	E	96.1	Very high	96.4	Very high	22 Å²	22	63.2 Å²	63.2	10%	0.103	36%	0.362	C	S	.	.	H	α-helix	trans	-56.7	-43	-174.5	-65.5	61.5	-136.7	0	0	111.9	Y610 N619 M623 M624 Y625 A666	Y610-E621 PolarHBondContact OH-OE1 2.98Å; N619-E621 VanDerWaalsContact CA-OE2 3.24Å; N619-E621 WeakPolarHBondContact CA-OE2 3.35Å; N619-E621 VanDerWaalsContact CB-OE2 3.29Å; N619-E621 WeakPolarHBondContact CB-OE2 3.46Å; E621-M623 VanDerWaalsContact C-N 3.29Å; E621-M623 PolarHBondContact O-N 3.05Å; E621-M624 CarbonylContact O-C 3.53Å; E621-M624 WeakPolarHBondContact O-CB 3.36Å; E621-M624 PolarHBondContact O-N 2.87Å; E621-M624 VanDerWaalsContact O-N 3.15Å; E621-Y625 PolarHBondContact O-N 3Å; E621-A666 HydrophobicContact CG-CB 3.63Å
622	Q	95.9	Very high	96.6	Very high	107 Å²	107	60.6 Å²	60.6	50%	0.5	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-35	179.4	-64	-61.7	-27.6	0	0	112.2	V620 L626 N857	V620-Q622 VanDerWaalsContact C-N 3.32Å; V620-Q622 PolarHBondContact O-N 3.21Å; Q622-L626 PolarHBondContact O-N 3.29Å; Q622-L626 VanDerWaalsContact O-N 3.14Å; Q622-N857 PolarHBondContact OE1-ND2 3.47Å
623	M	97.1	Very high	96.7	Very high	136 Å²	136	59.1 Å²	59.1	67%	0.67	33%	0.325	S	S	*	.	H	α-helix	trans	-73.5	-35.5	174.3	-68	-62.6	176.7	0	0	111.5	V620 E621 L626 G627	V620-M623 WeakPolarHBondContact O-CB 2.95Å; V620-M623 PolarHBondContact O-N 3.04Å; E621-M623 VanDerWaalsContact C-N 3.29Å; E621-M623 PolarHBondContact O-N 3.05Å; M623-L626 PolarHBondContact O-N 2.83Å; M623-G627 PolarHBondContact O-N 3.16Å
624	M	97.9	Very high	96.8	Very high	12 Å²	12	58.9 Å²	58.9	6%	0.059	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-42.2	172.1	-69.4	-63.1	-67.3	0	0	111.6	F606 Y610 V620 E621 L626 G627 S628 A662	F606-M624 HydrophobicContact CD1-CE 4.16Å; F606-M624 HydrophobicContact CD2-CE 4.04Å; F606-M624 HydrophobicContact CD2-SD 4Å; F606-M624 HydrophobicContact CE1-CE 3.84Å; F606-M624 HydrophobicContact CE2-CE 3.68Å; F606-M624 HydrophobicContact CE2-SD 3.47Å; F606-M624 WeakPolarHBondContact CE2-SD 3.36Å; F606-M624 HydrophobicContact CG-CE 4.26Å; F606-M624 HydrophobicContact CZ-CE 3.57Å; F606-M624 HydrophobicContact CZ-SD 3.85Å; Y610-M624 HydrophobicContact CD2-CE 4.43Å; Y610-M624 HydrophobicContact CD2-CG 3.5Å; Y610-M624 VanDerWaalsContact CD2-CG 3.5Å; Y610-M624 HydrophobicContact CD2-SD 4.03Å; Y610-M624 HydrophobicContact CE2-CG 3.99Å; Y610-M624 HydrophobicContact CG-CE 3.98Å; Y610-M624 HydrophobicContact CG-CG 4.01Å; Y610-M624 HydrophobicContact CG-SD 4.09Å; V620-M624 HydrophobicContact CG2-CG 4.36Å; V620-M624 PolarHBondContact O-N 3.16Å; E621-M624 CarbonylContact O-C 3.53Å; E621-M624 WeakPolarHBondContact O-CB 3.36Å; E621-M624 PolarHBondContact O-N 2.87Å; E621-M624 VanDerWaalsContact O-N 3.15Å; M624-L626 PolarHBondContact O-N 3Å; M624-G627 PolarHBondContact O-N 3.41Å; M624-S628 VanDerWaalsContact O-CB 3.29Å; M624-S628 WeakPolarHBondContact O-CB 3.5Å; M624-S628 PolarHBondContact O-N 3.1Å; M624-S628 PolarHBondContact O-OG 3.08Å; M624-A662 HydrophobicContact CB-CB 3.58Å; M624-A662 HydrophobicContact CG-CB 4.26Å
625	Y	98.3	Very high	97	Very high	14 Å²	14	56.5 Å²	56.5	6%	0.055	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-42.2	174.8	-69.2	-23.7	0	0	0	112.5	E621 G629 A662 T663 L858	E621-Y625 PolarHBondContact O-N 3Å; Y625-G629 PolarHBondContact O-N 3.48Å; Y625-A662 HydrophobicContact CD1-CB 4.07Å; Y625-A662 HydrophobicContact CE1-CB 3.75Å; Y625-T663 PolarHBondContact OH-OG1 3.22Å; Y625-L858 HydrophobicContact CD1-CB 3.86Å; Y625-L858 HydrophobicContact CD1-CD2 3.92Å; Y625-L858 HydrophobicContact CE1-CD2 4.39Å; Y625-L858 HydrophobicContact CG-CB 3.94Å
626	L	97.9	Very high	97.1	Very high	86 Å²	86	48.1 Å²	48.1	45%	0.45	27%	0.274	S	S	.	.	H	α-helix	trans	-61.5	-50.2	172.4	177.3	61.8	0	0	0	111.3	Q622 M623 M624 S628 G629 L630	Q622-L626 PolarHBondContact O-N 3.29Å; Q622-L626 VanDerWaalsContact O-N 3.14Å; M623-L626 PolarHBondContact O-N 2.83Å; M624-L626 PolarHBondContact O-N 3Å; L626-S628 VanDerWaalsContact C-N 3.32Å; L626-S628 PolarHBondContact O-N 3.31Å; L626-G629 PolarHBondContact O-N 3.36Å; L626-L630 HydrophobicContact CD1-CD1 4.28Å; L626-L630 HydrophobicContact CD1-CG 4.22Å; L626-L630 HydrophobicContact CG-CD1 4.19Å; L626-L630 WeakPolarHBondContact O-CG 3.36Å; L626-L630 PolarHBondContact O-N 3.02Å
627	G	98.3	Very high	97.1	Very high	17 Å²	17	46.9 Å²	46.9	18%	0.175	26%	0.263	C	S	.	.	H	α-helix	trans	-59	-42.5	178.9	0	0	0	0	0	112.7	M623 M624 L630 C631	M623-G627 PolarHBondContact O-N 3.16Å; M624-G627 PolarHBondContact O-N 3.41Å; G627-L630 PolarHBondContact O-N 3.29Å; G627-C631 PolarHBondContact O-N 3.29Å; G627-C631 PolarHBondContact O-SG 3.1Å
628	S	98.6	Very high	97.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-44.7	174.1	-78.9	0	0	0	0	112.4	M624 L626 L630 C631 C632 G655 G658 G659	M624-S628 VanDerWaalsContact O-CB 3.29Å; M624-S628 WeakPolarHBondContact O-CB 3.5Å; M624-S628 PolarHBondContact O-N 3.1Å; M624-S628 PolarHBondContact O-OG 3.08Å; L626-S628 VanDerWaalsContact C-N 3.32Å; L626-S628 PolarHBondContact O-N 3.31Å; S628-L630 VanDerWaalsContact C-N 3.35Å; S628-L630 PolarHBondContact O-N 3.42Å; S628-C631 PolarHBondContact O-N 2.95Å; S628-C632 PolarHBondContact O-N 3.11Å; S628-C632 PolarHBondContact O-SG 3.29Å; S628-G655 WeakPolarHBondContact CB-O 3.44Å; S628-G655 PolarHBondContact OG-O 2.82Å; S628-G658 VanDerWaalsContact OG-C 3.23Å; S628-G659 PolarHBondContact OG-N 3.43Å
629	G	98.4	Very high	97.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-44.8	174.8	0	0	0	0	0	112	Y625 L626 C631 C632 V633	Y625-G629 PolarHBondContact O-N 3.48Å; L626-G629 PolarHBondContact O-N 3.36Å; G629-C631 PolarHBondContact O-N 3.48Å; G629-C632 PolarHBondContact O-N 3.22Å; G629-V633 WeakPolarHBondContact O-CG2 3.38Å; G629-V633 PolarHBondContact O-N 3.32Å
630	L	98.4	Very high	97.1	Very high	110 Å²	110	34.6 Å²	34.6	58%	0.576	20%	0.2	S	C	*	.	H	α-helix	trans	-63.9	-39.4	176.1	-68.2	175.2	0	0	0	112.4	L626 G627 S628 V633 G634	L626-L630 HydrophobicContact CD1-CD1 4.28Å; L626-L630 HydrophobicContact CD1-CG 4.22Å; L626-L630 HydrophobicContact CG-CD1 4.19Å; L626-L630 WeakPolarHBondContact O-CG 3.36Å; L626-L630 PolarHBondContact O-N 3.02Å; G627-L630 PolarHBondContact O-N 3.29Å; S628-L630 VanDerWaalsContact C-N 3.35Å; S628-L630 PolarHBondContact O-N 3.42Å; L630-V633 PolarHBondContact O-N 3.48Å; L630-G634 PolarHBondContact O-N 3.3Å
631	C	98.6	Very high	96.8	Very high	25 Å²	25	35.9 Å²	35.9	17%	0.169	21%	0.205	C	C	.	.	H	α-helix	trans	-64	-40.7	173.7	-68.9	0	0	0	0	111.6	G627 S628 G629 G634 A635 L651	G627-C631 PolarHBondContact O-N 3.29Å; G627-C631 PolarHBondContact O-SG 3.1Å; S628-C631 PolarHBondContact O-N 2.95Å; G629-C631 PolarHBondContact O-N 3.48Å; C631-G634 CarbonylContact O-C 3.27Å; C631-G634 PolarHBondContact O-N 3.32Å; C631-A635 PolarHBondContact O-N 2.91Å; C631-L651 WeakPolarHBondContact CB-O 3.34Å; C631-L651 WeakPolarHBondContact O-CB 3.44Å
632	C	98.4	Very high	96.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-38.2	174.5	-68.6	0	0	0	0	112.6	I535 S628 G629 A635 L636 V862 L865	I535-C632 HydrophobicContact CD1-CB 4.21Å; I535-C632 HydrophobicContact CG2-CB 4.25Å; S628-C632 PolarHBondContact O-N 3.11Å; S628-C632 PolarHBondContact O-SG 3.29Å; G629-C632 PolarHBondContact O-N 3.22Å; C632-A635 WeakPolarHBondContact O-CB 3.48Å; C632-A635 PolarHBondContact O-N 3.09Å; C632-L636 PolarHBondContact O-N 3.17Å; C632-V862 HydrophobicContact CB-CG2 4.15Å; C632-L865 HydrophobicContact CB-CD2 4.44Å
633	V	98.1	Very high	96.2	Very high	25 Å²	25	34.5 Å²	34.5	15%	0.152	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-46.9	170.8	170.3	0	0	0	0	110.4	V512 G629 L630 A635 L636 A637 L865	V512-V633 HydrophobicContact CG1-CB 4.42Å; V512-V633 HydrophobicContact CG1-CG1 3.6Å; V512-V633 HydrophobicContact CG1-CG2 3.84Å; G629-V633 WeakPolarHBondContact O-CG2 3.38Å; G629-V633 PolarHBondContact O-N 3.32Å; L630-V633 PolarHBondContact O-N 3.48Å; V633-A635 PolarHBondContact O-N 2.99Å; V633-L636 PolarHBondContact O-N 2.94Å; V633-A637 WeakPolarHBondContact O-CB 3.48Å; V633-A637 PolarHBondContact O-N 2.86Å; V633-L865 HydrophobicContact CG2-CD2 4.16Å
634	G	97.8	Very high	96.2	Very high	17 Å²	17	30.4 Å²	30.4	18%	0.175	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-28.4	174.3	0	0	0	0	0	113.2	L630 C631 G638	L630-G634 PolarHBondContact O-N 3.3Å; C631-G634 CarbonylContact O-C 3.27Å; C631-G634 PolarHBondContact O-N 3.32Å; G634-G638 PolarHBondContact O-N 3.49Å
635	A	97.9	Very high	96	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-44.3	176.7	0	0	0	0	0	112.3	V531 I535 C631 C632 V633 G648	V531-A635 HydrophobicContact CG1-CB 4.15Å; I535-A635 HydrophobicContact CD1-CB 3.98Å; C631-A635 PolarHBondContact O-N 2.91Å; C632-A635 WeakPolarHBondContact O-CB 3.48Å; C632-A635 PolarHBondContact O-N 3.09Å; V633-A635 PolarHBondContact O-N 2.99Å; A635-G648 WeakPolarHBondContact CA-O 3.42Å; A635-G648 WeakPolarHBondContact CB-O 3.18Å; A635-G648 VanDerWaalsContact O-CA 3.26Å; A635-G648 WeakPolarHBondContact O-CA 3.38Å
636	L	96.8	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-77.2	-41.8	176.9	-84	67.6	0	0	0	111.1	T516 V517 L528 V531 T532 I535 C632 V633 G638 L639 L865	T516-L636 HydrophobicContact CG2-CB 3.74Å; V517-L636 HydrophobicContact CG2-CD2 3.97Å; L528-L636 HydrophobicContact CD1-CB 4.38Å; L528-L636 HydrophobicContact CD1-CD2 3.73Å; L528-L636 HydrophobicContact CD1-CG 3.57Å; V531-L636 HydrophobicContact CG1-CD1 3.76Å; T532-L636 HydrophobicContact CG2-CD1 4.49Å; T532-L636 HydrophobicContact CG2-CD2 4.14Å; I535-L636 HydrophobicContact CD1-CD1 3.96Å; C632-L636 PolarHBondContact O-N 3.17Å; V633-L636 PolarHBondContact O-N 2.94Å; L636-G638 PolarHBondContact O-N 3.49Å; L636-L639 WeakPolarHBondContact O-CB 3.46Å; L636-L639 PolarHBondContact O-N 3.4Å; L636-L865 HydrophobicContact CD1-CD2 4.11Å; L636-L865 HydrophobicContact CD2-CD1 3.75Å; L636-L865 HydrophobicContact CD2-CD2 4.16Å; L636-L865 HydrophobicContact CD2-CG 3.74Å
637	A	96.6	Very high	95.9	Very high	40 Å²	40	27.9 Å²	27.9	33%	0.331	18%	0.175	S	C	.	.	H	α-helix	trans	-59.8	-35.2	177.4	0	0	0	0	0	112	T516 V633 L639 S640	T516-A637 HydrophobicContact CG2-CB 3.82Å; T516-A637 VanDerWaalsContact CG2-N 3.35Å; V633-A637 WeakPolarHBondContact O-CB 3.48Å; V633-A637 PolarHBondContact O-N 2.86Å; A637-L639 PolarHBondContact O-N 2.78Å; A637-S640 VanDerWaalsContact O-CB 3.24Å; A637-S640 WeakPolarHBondContact O-CB 3.2Å; A637-S640 PolarHBondContact O-N 2.87Å; A637-S640 VanDerWaalsContact O-N 3.09Å; A637-S640 PolarHBondContact O-OG 3.21Å
638	G	96.3	Very high	95.9	Very high	9 Å²	9	27.1 Å²	27.1	9%	0.093	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-63.3	-19.7	175.7	0	0	0	0	0	114	G634 L636 S640 T644 A645	G634-G638 PolarHBondContact O-N 3.49Å; L636-G638 PolarHBondContact O-N 3.49Å; G638-S640 VanDerWaalsContact C-N 3.26Å; G638-S640 PolarHBondContact O-N 3.25Å; G638-T644 CarbonylContact O-C 3.58Å; G638-T644 WeakPolarHBondContact O-CB 3.41Å; G638-T644 PolarHBondContact O-OG1 3.41Å; G638-A645 VanDerWaalsContact O-CA 3.32Å; G638-A645 WeakPolarHBondContact O-CA 3.48Å; G638-A645 PolarHBondContact O-N 2.87Å
639	L	94.8	Very high	95.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-83.7	3.2	175.4	-57.7	173.9	0	0	0	113.2	V520 T521 L524 P527 L528 V531 L583 L636 A637 N641 A645	V520-L639 HydrophobicContact CG1-CB 4.02Å; V520-L639 HydrophobicContact CG2-CB 4.26Å; T521-L639 PolarHBondContact N-O 3.4Å; L524-L639 HydrophobicContact CD1-CB 4.49Å; L524-L639 VanDerWaalsContact CD1-O 3.26Å; L524-L639 WeakPolarHBondContact CD1-O 3.43Å; P527-L639 HydrophobicContact CB-CD2 4.49Å; L528-L639 HydrophobicContact CB-CD1 3.99Å; L528-L639 HydrophobicContact CD1-CD1 4.11Å; V531-L639 HydrophobicContact CB-CD1 4.43Å; V531-L639 HydrophobicContact CG2-CD1 4.13Å; L583-L639 HydrophobicContact CD1-CD2 4.47Å; L583-L639 HydrophobicContact CD2-CD2 4.25Å; L636-L639 WeakPolarHBondContact O-CB 3.46Å; L636-L639 PolarHBondContact O-N 3.4Å; A637-L639 PolarHBondContact O-N 2.78Å; L639-N641 PolarHBondContact O-N 3.22Å; L639-A645 HydrophobicContact CD2-CB 3.98Å
640	S	91.1	Very high	95.8	Very high	55 Å²	55	28.1 Å²	28.1	39%	0.385	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-67.6	-17	174.1	58.3	0	0	0	0	114.3	G519 T521 A637 G638	G519-S640 WeakPolarHBondContact O-CA 3.48Å; G519-S640 WeakPolarHBondContact O-CB 3.49Å; T521-S640 PolarHBondContact OG1-O 2.85Å; A637-S640 VanDerWaalsContact O-CB 3.24Å; A637-S640 WeakPolarHBondContact O-CB 3.2Å; A637-S640 PolarHBondContact O-N 2.87Å; A637-S640 VanDerWaalsContact O-N 3.09Å; A637-S640 PolarHBondContact O-OG 3.21Å; G638-S640 VanDerWaalsContact C-N 3.26Å; G638-S640 PolarHBondContact O-N 3.25Å
641	N	90.1	Very high	95.8	Very high	77 Å²	77	25 Å²	25	41%	0.412	16%	0.157	S	C	.	.	S	Bend	trans	-144.8	145.3	175.7	-166.5	-63.8	0	0	0	110.6	L639 T643 T644 A645	L639-N641 PolarHBondContact O-N 3.22Å; N641-T643 PolarHBondContact O-N 2.92Å; N641-T643 PolarHBondContact OD1-N 3.27Å; N641-T643 PolarHBondContact OD1-OG1 3.49Å; N641-T644 PolarHBondContact O-N 3.17Å; N641-T644 PolarHBondContact O-OG1 3.43Å; N641-A645 PolarHBondContact O-N 2.87Å; N641-A645 VanDerWaalsContact O-N 3.14Å
642	Q	88.9	Confident	95.8	Very high	12 Å²	12	23.9 Å²	23.9	6%	0.056	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-38.2	177.2	-159.2	59.9	38.5	0	0	112.8	L524 F586 A645 R646 Y985	L524-Q642 VanDerWaalsContact CD2-OE1 3.3Å; F586-Q642 HydrophobicContact CB-CG 4.42Å; Q642-A645 WeakPolarHBondContact O-CB 3.49Å; Q642-A645 PolarHBondContact O-N 3.23Å; Q642-R646 PolarHBondContact O-NH1 3.07Å; Q642-Y985 HydrophobicContact CB-CE2 4.39Å; Q642-Y985 HydrophobicContact CG-CD1 4Å; Q642-Y985 HydrophobicContact CG-CD2 4.42Å; Q642-Y985 HydrophobicContact CG-CE1 3.95Å; Q642-Y985 HydrophobicContact CG-CE2 4.39Å; Q642-Y985 HydrophobicContact CG-CG 4.25Å
643	T	90.3	Very high	95.8	Very high	88 Å²	88	27.3 Å²	27.3	54%	0.54	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-32.9	-177.8	56.7	0	0	0	0	113.2	N641	N641-T643 PolarHBondContact O-N 2.92Å; N641-T643 PolarHBondContact OD1-N 3.27Å; N641-T643 PolarHBondContact OD1-OG1 3.49Å
644	T	96	Very high	95.8	Very high	50 Å²	50	26.7 Å²	26.7	31%	0.307	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-6.2	179.9	54	0	0	0	0	113.2	G638 N641 R646 L647 G648	G638-T644 CarbonylContact O-C 3.58Å; G638-T644 WeakPolarHBondContact O-CB 3.41Å; G638-T644 PolarHBondContact O-OG1 3.41Å; N641-T644 PolarHBondContact O-N 3.17Å; N641-T644 PolarHBondContact O-OG1 3.43Å; T644-R646 VanDerWaalsContact C-N 3.26Å; T644-R646 PolarHBondContact O-N 3.48Å; T644-R646 VanDerWaalsContact O-N 3.13Å; T644-L647 WeakPolarHBondContact O-CA 3.41Å; T644-L647 VanDerWaalsContact O-CB 3.3Å; T644-L647 WeakPolarHBondContact O-CB 3.34Å; T644-L647 PolarHBondContact O-N 3.26Å; T644-G648 PolarHBondContact O-N 3.29Å; T644-G648 VanDerWaalsContact O-N 3.13Å
645	A	95.4	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.6	-35.9	-171.2	0	0	0	0	0	113.7	L524 L583 G638 L639 N641 Q642 G648 N649	L524-A645 HydrophobicContact CD1-CB 4.05Å; L583-A645 HydrophobicContact CD1-CB 4.38Å; L583-A645 WeakPolarHBondContact CD1-O 3.38Å; L583-A645 HydrophobicContact CD2-CB 3.72Å; G638-A645 VanDerWaalsContact O-CA 3.32Å; G638-A645 WeakPolarHBondContact O-CA 3.48Å; G638-A645 PolarHBondContact O-N 2.87Å; L639-A645 HydrophobicContact CD2-CB 3.98Å; N641-A645 PolarHBondContact O-N 2.87Å; N641-A645 VanDerWaalsContact O-N 3.14Å; Q642-A645 WeakPolarHBondContact O-CB 3.49Å; Q642-A645 PolarHBondContact O-N 3.23Å; A645-G648 WeakPolarHBondContact O-CA 3.27Å; A645-G648 PolarHBondContact O-N 2.62Å; A645-G648 VanDerWaalsContact O-N 3.17Å; A645-N649 PolarHBondContact O-N 3.16Å
646	R	96.4	Very high	95.9	Very high	9 Å²	9	26 Å²	26	3%	0.034	15%	0.154	C	C	.	.	H	α-helix	trans	-68.8	-35.8	178	-74.7	79.7	79.1	176.8	15.5	112.4	E594 Q642 T644 G648 N649 T650	E594-R646 VanDerWaalsContact CD-NH2 3.29Å; E594-R646 IonicContact OE1-CZ 2.66Å; E594-R646 IonicContact OE1-NE 2.85Å; E594-R646 PolarHBondContact OE1-NE 2.87Å; E594-R646 IonicContact OE1-NH2 3.53Å; E594-R646 PolarHBondContact OE1-NH2 3.14Å; E594-R646 IonicContact OE2-CZ 2.58Å; E594-R646 IonicContact OE2-NE 3.53Å; E594-R646 PolarHBondContact OE2-NE 3.3Å; E594-R646 IonicContact OE2-NH2 2.58Å; E594-R646 PolarHBondContact OE2-NH2 3.5Å; Q642-R646 PolarHBondContact O-NH1 3.07Å; T644-R646 VanDerWaalsContact C-N 3.26Å; T644-R646 PolarHBondContact O-N 3.48Å; T644-R646 VanDerWaalsContact O-N 3.13Å; R646-G648 VanDerWaalsContact C-N 3.28Å; R646-N649 PolarHBondContact O-N 3.32Å; R646-T650 PolarHBondContact O-N 3.2Å; R646-T650 PolarHBondContact O-OG1 2.89Å
647	L	97.3	Very high	96	Very high	51 Å²	51	28.3 Å²	28.3	27%	0.267	17%	0.173	S	C	.	.	H	α-helix	trans	-61.9	-40.9	170.7	171.6	64.5	0	0	0	110.1	Y599 T644 N649 T650 L651	Y599-L647 HydrophobicContact CD1-CD1 4.05Å; Y599-L647 HydrophobicContact CE1-CD1 3.61Å; Y599-L647 HydrophobicContact CE2-CD1 4.34Å; T644-L647 WeakPolarHBondContact O-CA 3.41Å; T644-L647 VanDerWaalsContact O-CB 3.3Å; T644-L647 WeakPolarHBondContact O-CB 3.34Å; T644-L647 PolarHBondContact O-N 3.26Å; L647-N649 PolarHBondContact O-N 3.35Å; L647-T650 WeakPolarHBondContact O-CB 3.46Å; L647-T650 PolarHBondContact O-N 3.1Å; L647-T650 VanDerWaalsContact O-N 3.16Å; L647-L651 HydrophobicContact CD1-CD1 3.98Å; L647-L651 HydrophobicContact CD1-CD2 4.25Å; L647-L651 HydrophobicContact CD1-CG 3.8Å; L647-L651 HydrophobicContact CD2-CD1 4.47Å; L647-L651 HydrophobicContact CG-CD1 3.92Å; L647-L651 HydrophobicContact CG-CG 4.17Å; L647-L651 WeakPolarHBondContact O-CG 3.25Å; L647-L651 PolarHBondContact O-N 3.31Å
648	G	97.1	Very high	96	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-53.7	-52.3	175.2	0	0	0	0	0	112.5	A635 T644 A645 R646 T650 L651 G652	A635-G648 WeakPolarHBondContact CA-O 3.42Å; A635-G648 WeakPolarHBondContact CB-O 3.18Å; A635-G648 VanDerWaalsContact O-CA 3.26Å; A635-G648 WeakPolarHBondContact O-CA 3.38Å; T644-G648 PolarHBondContact O-N 3.29Å; T644-G648 VanDerWaalsContact O-N 3.13Å; A645-G648 WeakPolarHBondContact O-CA 3.27Å; A645-G648 PolarHBondContact O-N 2.62Å; A645-G648 VanDerWaalsContact O-N 3.17Å; R646-G648 VanDerWaalsContact C-N 3.28Å; G648-T650 VanDerWaalsContact C-N 3.28Å; G648-T650 PolarHBondContact O-N 3.36Å; G648-L651 PolarHBondContact O-N 3.19Å; G648-G652 PolarHBondContact O-N 3.25Å; G648-G652 VanDerWaalsContact O-N 3.08Å
649	N	97.9	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-42.8	177.4	-166	32.4	0	0	0	112.4	F576 T579 Q580 L583 A645 R646 L647 G652 M653	F576-N649 WeakPolarHBondContact CD1-OD1 3.34Å; T579-N649 HydrophobicContact CG2-CB 4.1Å; T579-N649 WeakPolarHBondContact CG2-OD1 3.39Å; Q580-N649 PolarHBondContact OE1-ND2 3.38Å; L583-N649 HydrophobicContact CD1-CB 3.86Å; A645-N649 PolarHBondContact O-N 3.16Å; R646-N649 PolarHBondContact O-N 3.32Å; L647-N649 PolarHBondContact O-N 3.35Å; N649-G652 PolarHBondContact O-N 2.9Å; N649-M653 VanDerWaalsContact ND2-CE 3.31Å; N649-M653 WeakPolarHBondContact ND2-CE 3.46Å; N649-M653 WeakPolarHBondContact O-CG 3.31Å; N649-M653 PolarHBondContact O-N 3.25Å; N649-M653 VanDerWaalsContact O-N 3.1Å
650	T	97.9	Very high	96.3	Very high	23 Å²	23	27.1 Å²	27.1	14%	0.141	16%	0.159	C	C	.	.	H	α-helix	trans	-66.3	-44.8	-178.4	-55.1	0	0	0	0	112.5	Y599 R646 L647 G648 G652 M653 I654	Y599-T650 VanDerWaalsContact CB-CG2 3.43Å; Y599-T650 HydrophobicContact CD2-CG2 4.18Å; Y599-T650 HydrophobicContact CG-CG2 4Å; R646-T650 PolarHBondContact O-N 3.2Å; R646-T650 PolarHBondContact O-OG1 2.89Å; L647-T650 WeakPolarHBondContact O-CB 3.46Å; L647-T650 PolarHBondContact O-N 3.1Å; L647-T650 VanDerWaalsContact O-N 3.16Å; G648-T650 VanDerWaalsContact C-N 3.28Å; G648-T650 PolarHBondContact O-N 3.36Å; T650-G652 VanDerWaalsContact C-N 3.27Å; T650-G652 PolarHBondContact O-N 3.48Å; T650-M653 WeakPolarHBondContact O-CB 3.26Å; T650-M653 PolarHBondContact O-N 2.89Å; T650-M653 VanDerWaalsContact O-N 3.16Å; T650-I654 HydrophobicContact CG2-CD1 4.26Å; T650-I654 WeakPolarHBondContact O-CG1 3.25Å; T650-I654 PolarHBondContact O-N 3.3Å
651	L	98.4	Very high	96.6	Very high	45 Å²	45	25.5 Å²	25.5	24%	0.236	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-37.1	175.4	-69.8	176.2	0	0	0	111.2	C631 L647 G648 M653 I654 G655	C631-L651 WeakPolarHBondContact CB-O 3.34Å; C631-L651 WeakPolarHBondContact O-CB 3.44Å; L647-L651 HydrophobicContact CD1-CD1 3.98Å; L647-L651 HydrophobicContact CD1-CD2 4.25Å; L647-L651 HydrophobicContact CD1-CG 3.8Å; L647-L651 HydrophobicContact CD2-CD1 4.47Å; L647-L651 HydrophobicContact CG-CD1 3.92Å; L647-L651 HydrophobicContact CG-CG 4.17Å; L647-L651 WeakPolarHBondContact O-CG 3.25Å; L647-L651 PolarHBondContact O-N 3.31Å; G648-L651 PolarHBondContact O-N 3.19Å; L651-M653 PolarHBondContact O-N 3.06Å; L651-I654 PolarHBondContact O-N 3.41Å; L651-G655 PolarHBondContact O-N 2.88Å
652	G	98.2	Very high	96.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58	-46.7	172	0	0	0	0	0	112.3	F576 G648 N649 T650 I654 G655 V656	F576-G652 WeakPolarHBondContact CZ-O 3.46Å; G648-G652 PolarHBondContact O-N 3.25Å; G648-G652 VanDerWaalsContact O-N 3.08Å; N649-G652 PolarHBondContact O-N 2.9Å; T650-G652 VanDerWaalsContact C-N 3.27Å; T650-G652 PolarHBondContact O-N 3.48Å; G652-I654 PolarHBondContact O-N 3.2Å; G652-G655 PolarHBondContact O-N 2.87Å; G652-V656 WeakPolarHBondContact O-CG2 3.21Å; G652-V656 PolarHBondContact O-N 2.97Å
653	M	98.6	Very high	97.3	Very high	73 Å²	73	21.3 Å²	21.3	36%	0.36	13%	0.127	S	C	.	.	H	α-helix	trans	-61.8	-43.3	176.8	-65.3	177.8	-164	0	0	112	F576 N649 T650 L651 G655 V656 A657	F576-M653 HydrophobicContact CB-CE 4.01Å; F576-M653 HydrophobicContact CB-CG 4.47Å; F576-M653 HydrophobicContact CD1-CE 4.06Å; F576-M653 HydrophobicContact CD1-CG 3.52Å; F576-M653 HydrophobicContact CD2-CG 4.17Å; F576-M653 HydrophobicContact CE1-CB 4.42Å; F576-M653 HydrophobicContact CE1-CG 3.69Å; F576-M653 HydrophobicContact CE2-CG 4.31Å; F576-M653 HydrophobicContact CG-CE 4.25Å; F576-M653 HydrophobicContact CG-CG 3.8Å; F576-M653 HydrophobicContact CZ-CG 4.11Å; N649-M653 VanDerWaalsContact ND2-CE 3.31Å; N649-M653 WeakPolarHBondContact ND2-CE 3.46Å; N649-M653 WeakPolarHBondContact O-CG 3.31Å; N649-M653 PolarHBondContact O-N 3.25Å; N649-M653 VanDerWaalsContact O-N 3.1Å; T650-M653 WeakPolarHBondContact O-CB 3.26Å; T650-M653 PolarHBondContact O-N 2.89Å; T650-M653 VanDerWaalsContact O-N 3.16Å; L651-M653 PolarHBondContact O-N 3.06Å; M653-G655 VanDerWaalsContact C-N 3.34Å; M653-V656 PolarHBondContact O-N 3.33Å; M653-A657 VanDerWaalsContact O-CB 3.27Å; M653-A657 WeakPolarHBondContact O-CB 3.21Å; M653-A657 PolarHBondContact O-N 2.75Å
654	I	98.6	Very high	97.5	Very high	12 Å²	12	18.8 Å²	18.8	6%	0.062	11%	0.11	C	C	.	.	H	α-helix	trans	-61.8	-44.4	177.2	-65.7	172.4	0	0	0	110.5	P602 A603 F606 T650 L651 G652 A657 G658	P602-I654 HydrophobicContact CG-CD1 4.3Å; A603-I654 HydrophobicContact CB-CD1 4.04Å; A603-I654 HydrophobicContact CB-CG1 3.76Å; F606-I654 HydrophobicContact CD1-CG2 3.81Å; F606-I654 HydrophobicContact CE1-CG2 4.43Å; T650-I654 HydrophobicContact CG2-CD1 4.26Å; T650-I654 WeakPolarHBondContact O-CG1 3.25Å; T650-I654 PolarHBondContact O-N 3.3Å; L651-I654 PolarHBondContact O-N 3.41Å; G652-I654 PolarHBondContact O-N 3.2Å; I654-A657 PolarHBondContact O-N 3.47Å; I654-G658 PolarHBondContact O-N 3.47Å
655	G	98.4	Very high	97.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.5	-48.8	179.1	0	0	0	0	0	112.4	S628 L651 G652 M653 G658 G659	S628-G655 WeakPolarHBondContact CB-O 3.44Å; S628-G655 PolarHBondContact OG-O 2.82Å; L651-G655 PolarHBondContact O-N 2.88Å; G652-G655 PolarHBondContact O-N 2.87Å; M653-G655 VanDerWaalsContact C-N 3.34Å; G655-G658 PolarHBondContact O-N 2.82Å; G655-G659 PolarHBondContact O-N 3.12Å
656	V	98.6	Very high	97.3	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-45.4	177.9	173.6	0	0	0	0	111.4	I535 L538 I572 F576 G652 M653 G658 G659 L660	I535-V656 HydrophobicContact CG1-CG2 4.41Å; L538-V656 HydrophobicContact CD1-CG2 4.15Å; L538-V656 HydrophobicContact CD2-CB 4.44Å; L538-V656 HydrophobicContact CD2-CG1 4.05Å; L538-V656 HydrophobicContact CD2-CG2 4.4Å; L538-V656 HydrophobicContact CG-CG1 4.45Å; L538-V656 HydrophobicContact CG-CG2 4.11Å; I572-V656 HydrophobicContact CD1-CG1 3.91Å; I572-V656 HydrophobicContact CG1-CG1 4.27Å; I572-V656 HydrophobicContact CG2-CG1 3.98Å; F576-V656 HydrophobicContact CE2-CB 4.09Å; F576-V656 HydrophobicContact CE2-CG1 4.38Å; F576-V656 HydrophobicContact CE2-CG2 3.86Å; F576-V656 HydrophobicContact CZ-CB 4.3Å; F576-V656 HydrophobicContact CZ-CG2 3.78Å; G652-V656 WeakPolarHBondContact O-CG2 3.21Å; G652-V656 PolarHBondContact O-N 2.97Å; M653-V656 PolarHBondContact O-N 3.33Å; V656-G658 PolarHBondContact O-N 3.4Å; V656-G659 PolarHBondContact O-N 2.88Å; V656-L660 HydrophobicContact CG1-CD1 4.08Å; V656-L660 HydrophobicContact CG1-CG 4.47Å; V656-L660 WeakPolarHBondContact O-CG 3.48Å; V656-L660 PolarHBondContact O-N 3.49Å
657	A	98.3	Very high	97.2	Very high	47 Å²	47	22.2 Å²	22.2	39%	0.388	14%	0.136	S	C	.	.	H	α-helix	trans	-61.2	-45	178.2	0	0	0	0	0	112.2	V607 M653 I654 G659 A661	V607-A657 HydrophobicContact CG2-CB 4.49Å; M653-A657 VanDerWaalsContact O-CB 3.27Å; M653-A657 WeakPolarHBondContact O-CB 3.21Å; M653-A657 PolarHBondContact O-N 2.75Å; I654-A657 PolarHBondContact O-N 3.47Å; A657-G659 VanDerWaalsContact C-N 3.32Å; A657-G659 PolarHBondContact O-N 3.4Å; A657-A661 VanDerWaalsContact O-CB 3.28Å; A657-A661 WeakPolarHBondContact O-CB 3.37Å; A657-A661 PolarHBondContact O-N 2.95Å
658	G	98.1	Very high	97	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.4	-37.1	176.3	0	0	0	0	0	113.1	S628 I654 G655 V656 A661 A662	S628-G658 VanDerWaalsContact OG-C 3.23Å; I654-G658 PolarHBondContact O-N 3.47Å; G655-G658 PolarHBondContact O-N 2.82Å; V656-G658 PolarHBondContact O-N 3.4Å; G658-A661 PolarHBondContact O-N 3.47Å; G658-A662 WeakPolarHBondContact O-CB 3.38Å; G658-A662 PolarHBondContact O-N 3.11Å
659	G	97.9	Very high	97	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.2	-47.3	179.5	0	0	0	0	0	111.6	S628 G655 V656 A657 A662 T663 L858	S628-G659 PolarHBondContact OG-N 3.43Å; G655-G659 PolarHBondContact O-N 3.12Å; V656-G659 PolarHBondContact O-N 2.88Å; A657-G659 VanDerWaalsContact C-N 3.32Å; A657-G659 PolarHBondContact O-N 3.4Å; G659-A662 PolarHBondContact O-N 3.18Å; G659-T663 PolarHBondContact O-N 3.37Å; G659-T663 PolarHBondContact O-OG1 3.01Å; G659-L858 VanDerWaalsContact CA-CD2 3.49Å
660	L	98	Very high	96.9	Very high	25 Å²	25	30.1 Å²	30.1	13%	0.131	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-42.6	175	-66.1	174.8	0	0	0	112	A540 V541 L544 I572 V656 T663 L664	A540-L660 HydrophobicContact CB-CD2 3.93Å; V541-L660 HydrophobicContact CG2-CD2 4.03Å; L544-L660 HydrophobicContact CD1-CD2 3.92Å; I572-L660 HydrophobicContact CD1-CD1 4.04Å; V656-L660 HydrophobicContact CG1-CD1 4.08Å; V656-L660 HydrophobicContact CG1-CG 4.47Å; V656-L660 WeakPolarHBondContact O-CG 3.48Å; V656-L660 PolarHBondContact O-N 3.49Å; L660-T663 PolarHBondContact O-N 2.94Å; L660-L664 WeakPolarHBondContact O-CB 3.35Å; L660-L664 VanDerWaalsContact O-CG 3.29Å; L660-L664 WeakPolarHBondContact O-CG 3.36Å; L660-L664 PolarHBondContact O-N 3.35Å
661	A	97.3	Very high	96.9	Very high	21 Å²	21	33.7 Å²	33.7	17%	0.174	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-44.4	178	0	0	0	0	0	111.8	V607 Y610 A657 G658 L664 G665	V607-A661 HydrophobicContact CG1-CB 3.97Å; Y610-A661 HydrophobicContact CD1-CB 4.36Å; Y610-A661 VanDerWaalsContact CE1-O 3.32Å; Y610-A661 WeakPolarHBondContact CE1-O 3.37Å; A657-A661 VanDerWaalsContact O-CB 3.28Å; A657-A661 WeakPolarHBondContact O-CB 3.37Å; A657-A661 PolarHBondContact O-N 2.95Å; G658-A661 PolarHBondContact O-N 3.47Å; A661-L664 PolarHBondContact O-N 3.39Å; A661-G665 PolarHBondContact O-N 3.35Å
662	A	97.5	Very high	96.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-45.8	176.9	0	0	0	0	0	112	Y610 M624 Y625 G658 G659 G665 A666	Y610-A662 PolarHBondContact OH-O 3.41Å; M624-A662 HydrophobicContact CB-CB 3.58Å; M624-A662 HydrophobicContact CG-CB 4.26Å; Y625-A662 HydrophobicContact CD1-CB 4.07Å; Y625-A662 HydrophobicContact CE1-CB 3.75Å; G658-A662 WeakPolarHBondContact O-CB 3.38Å; G658-A662 PolarHBondContact O-N 3.11Å; G659-A662 PolarHBondContact O-N 3.18Å; A662-G665 PolarHBondContact O-N 2.96Å; A662-A666 WeakPolarHBondContact O-CB 3.33Å; A662-A666 PolarHBondContact O-N 3.34Å
663	T	96.4	Very high	96.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-47	177.2	-54.6	0	0	0	0	111.6	V541 L544 Y625 G659 L660 G665 A666 L667	V541-T663 HydrophobicContact CG1-CG2 4.02Å; V541-T663 VanDerWaalsContact CG1-OG1 3.32Å; V541-T663 WeakPolarHBondContact CG1-OG1 3.14Å; L544-T663 HydrophobicContact CB-CG2 4.25Å; Y625-T663 PolarHBondContact OH-OG1 3.22Å; G659-T663 PolarHBondContact O-N 3.37Å; G659-T663 PolarHBondContact O-OG1 3.01Å; L660-T663 PolarHBondContact O-N 2.94Å; T663-G665 PolarHBondContact O-N 3.13Å; T663-A666 WeakPolarHBondContact O-CB 3.5Å; T663-A666 PolarHBondContact O-N 3.42Å; T663-L667 HydrophobicContact CG2-CD1 4.23Å; T663-L667 VanDerWaalsContact O-CG 3.3Å; T663-L667 WeakPolarHBondContact O-CG 3.2Å; T663-L667 PolarHBondContact O-N 2.86Å
664	L	95.1	Very high	96.7	Very high	34 Å²	34	35.2 Å²	35.2	18%	0.178	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-41.6	178.2	-72.4	168.2	0	0	0	112.1	L544 L660 A661 L667 K668 P669 L674 M677 M681	L544-L664 HydrophobicContact CD1-CD2 4.12Å; L544-L664 HydrophobicContact CD1-CG 4.24Å; L544-L664 HydrophobicContact CD2-CD2 4.13Å; L660-L664 WeakPolarHBondContact O-CB 3.35Å; L660-L664 VanDerWaalsContact O-CG 3.29Å; L660-L664 WeakPolarHBondContact O-CG 3.36Å; L660-L664 PolarHBondContact O-N 3.35Å; A661-L664 PolarHBondContact O-N 3.39Å; L664-L667 PolarHBondContact O-N 3.38Å; L664-K668 PolarHBondContact O-N 2.84Å; L664-P669 WeakPolarHBondContact O-CD 3.49Å; L664-L674 HydrophobicContact CD2-CD1 4.32Å; L664-M677 HydrophobicContact CD2-CB 4.42Å; L664-M677 HydrophobicContact CD2-SD 3.65Å; L664-M681 HydrophobicContact CD1-CE 4.14Å
665	G	92.9	Very high	96.6	Very high	10 Å²	10	36.7 Å²	36.7	10%	0.103	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-36.4	178.6	0	0	0	0	0	113.1	Y610 A661 A662 T663 L667 K668	Y610-G665 WeakPolarHBondContact OH-CA 3.26Å; A661-G665 PolarHBondContact O-N 3.35Å; A662-G665 PolarHBondContact O-N 2.96Å; T663-G665 PolarHBondContact O-N 3.13Å; G665-L667 VanDerWaalsContact C-N 3.34Å; G665-L667 PolarHBondContact O-N 3.46Å; G665-K668 VanDerWaalsContact O-CG 3.3Å; G665-K668 WeakPolarHBondContact O-CG 3.46Å; G665-K668 PolarHBondContact O-N 2.91Å
666	A	94.1	Very high	96.6	Very high	50 Å²	50	37.4 Å²	37.4	41%	0.413	23%	0.225	S	C	.	.	H	α-helix	trans	-60.7	-42	175.5	0	0	0	0	0	112.5	E621 A662 T663	E621-A666 HydrophobicContact CG-CB 3.63Å; A662-A666 WeakPolarHBondContact O-CB 3.33Å; A662-A666 PolarHBondContact O-N 3.34Å; T663-A666 WeakPolarHBondContact O-CB 3.5Å; T663-A666 PolarHBondContact O-N 3.42Å
667	L	94.1	Very high	96.6	Very high	71 Å²	71	37.3 Å²	37.3	37%	0.372	22%	0.224	S	C	.	.	H	α-helix	trans	-75	-24.2	-174.2	-67.1	169.7	0	0	0	113.4	L544 T663 L664 G665 M677	L544-L667 WeakPolarHBondContact O-CD1 3.27Å; T663-L667 HydrophobicContact CG2-CD1 4.23Å; T663-L667 VanDerWaalsContact O-CG 3.3Å; T663-L667 WeakPolarHBondContact O-CG 3.2Å; T663-L667 PolarHBondContact O-N 2.86Å; L664-L667 PolarHBondContact O-N 3.38Å; G665-L667 VanDerWaalsContact C-N 3.34Å; G665-L667 PolarHBondContact O-N 3.46Å; L667-M677 HydrophobicContact CD1-CE 4.08Å
668	K	93.8	Very high	96.6	Very high	141 Å²	141	37.6 Å²	37.6	61%	0.613	22%	0.224	S	C	*	.			trans	45.2	54.5	-175.7	-58.2	-178.7	-176.9	176.6	0	112.5	L664 G665	L664-K668 PolarHBondContact O-N 2.84Å; G665-K668 VanDerWaalsContact O-CG 3.3Å; G665-K668 WeakPolarHBondContact O-CG 3.46Å; G665-K668 PolarHBondContact O-N 2.91Å
669	P	96	Very high	96.5	Very high	29 Å²	29	40.1 Å²	40.1	19%	0.188	24%	0.244	C	C	.	.			trans	-63.7	153.5	-173.4	27.9	-35.9	0	0	0	112.2	L664 L673 L674 M677	L664-P669 WeakPolarHBondContact O-CD 3.49Å; P669-L673 HydrophobicContact CB-CB 4.19Å; P669-L673 HydrophobicContact CB-CD2 3.99Å; P669-L673 HydrophobicContact CB-CG 4.04Å; P669-L674 HydrophobicContact CB-CB 4.32Å; P669-L674 HydrophobicContact CG-CB 3.96Å; P669-L674 HydrophobicContact CG-CD1 3.95Å; P669-L674 HydrophobicContact CG-CG 4.43Å; P669-M677 HydrophobicContact CB-SD 4.27Å; P669-M677 HydrophobicContact CG-SD 4.27Å
670	S	96.9	Very high	96.5	Very high	47 Å²	47	40.7 Å²	40.7	33%	0.329	25%	0.249	S	C	.	.			trans	-62.6	158.1	169.2	88.5	0	0	0	0	110.4	E672 L673 L674	S670-E672 VanDerWaalsContact CB-OE2 3.29Å; S670-E672 WeakPolarHBondContact CB-OE2 3.47Å; S670-E672 PolarHBondContact O-N 2.9Å; S670-E672 VanDerWaalsContact O-N 3.15Å; S670-E672 PolarHBondContact OG-N 3.11Å; S670-E672 PolarHBondContact OG-OE2 3.26Å; S670-L673 PolarHBondContact O-N 3.15Å; S670-L673 PolarHBondContact OG-N 2.95Å; S670-L674 WeakPolarHBondContact O-CB 3.39Å; S670-L674 PolarHBondContact O-N 2.96Å
671	P	97.2	Very high	96.5	Very high	98 Å²	98	41.1 Å²	41.1	64%	0.636	25%	0.251	S	S	*	.	H	α-helix	trans	-53.8	-35.3	178.1	-27.7	36.4	0	0	0	113.8	A675	P671-A675 WeakPolarHBondContact O-CB 3.44Å; P671-A675 PolarHBondContact O-N 3.05Å
672	E	97.3	Very high	96.5	Very high	63 Å²	63	42.9 Å²	42.9	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-71.1	-46.2	179.3	-54.4	76.7	-166.7	0	0	111.9	S550 Y551 S670 A675 Q676	S550-E672 VanDerWaalsContact OG-CB 3.23Å; S550-E672 WeakPolarHBondContact OG-CB 3.29Å; Y551-E672 HydrophobicContact CD1-CB 4.1Å; Y551-E672 HydrophobicContact CD2-CB 3.89Å; Y551-E672 HydrophobicContact CD2-CG 3.84Å; Y551-E672 HydrophobicContact CE1-CB 4.05Å; Y551-E672 HydrophobicContact CE1-CG 4.2Å; Y551-E672 HydrophobicContact CE2-CB 3.85Å; Y551-E672 HydrophobicContact CE2-CG 3.36Å; Y551-E672 HydrophobicContact CG-CB 4.02Å; Y551-E672 HydrophobicContact CG-CG 4.45Å; S670-E672 VanDerWaalsContact CB-OE2 3.29Å; S670-E672 WeakPolarHBondContact CB-OE2 3.47Å; S670-E672 PolarHBondContact O-N 2.9Å; S670-E672 VanDerWaalsContact O-N 3.15Å; S670-E672 PolarHBondContact OG-N 3.11Å; S670-E672 PolarHBondContact OG-OE2 3.26Å; E672-A675 WeakPolarHBondContact O-CB 3.48Å; E672-A675 PolarHBondContact O-N 3.35Å; E672-Q676 PolarHBondContact O-N 3.35Å
673	L	96.8	Very high	96.6	Very high	20 Å²	20	47.1 Å²	47.1	11%	0.105	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-39.8	176.4	179	58.9	0	0	0	111.2	P669 S670 A675 Q676 M677	P669-L673 HydrophobicContact CB-CB 4.19Å; P669-L673 HydrophobicContact CB-CD2 3.99Å; P669-L673 HydrophobicContact CB-CG 4.04Å; S670-L673 PolarHBondContact O-N 3.15Å; S670-L673 PolarHBondContact OG-N 2.95Å; L673-A675 VanDerWaalsContact C-N 3.27Å; L673-A675 PolarHBondContact O-N 3.36Å; L673-Q676 VanDerWaalsContact CD1-OE1 3.29Å; L673-Q676 WeakPolarHBondContact O-CB 3.45Å; L673-Q676 PolarHBondContact O-N 3.3Å; L673-Q676 VanDerWaalsContact O-N 3.15Å; L673-M677 HydrophobicContact CD1-CE 4.22Å; L673-M677 HydrophobicContact CD2-CE 4.11Å; L673-M677 HydrophobicContact CG-CE 3.95Å; L673-M677 HydrophobicContact CG-SD 4.42Å; L673-M677 WeakPolarHBondContact O-CG 3.27Å; L673-M677 PolarHBondContact O-N 2.86Å
674	L	97.4	Very high	96.6	Very high	68 Å²	68	47 Å²	47	36%	0.356	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-37.9	174	-176.4	60.6	0	0	0	111.5	L664 P669 S670 M677 S678	L664-L674 HydrophobicContact CD2-CD1 4.32Å; P669-L674 HydrophobicContact CB-CB 4.32Å; P669-L674 HydrophobicContact CG-CB 3.96Å; P669-L674 HydrophobicContact CG-CD1 3.95Å; P669-L674 HydrophobicContact CG-CG 4.43Å; S670-L674 WeakPolarHBondContact O-CB 3.39Å; S670-L674 PolarHBondContact O-N 2.96Å; L674-M677 PolarHBondContact O-N 3.15Å; L674-S678 VanDerWaalsContact O-CB 3.25Å; L674-S678 WeakPolarHBondContact O-CB 3.41Å; L674-S678 PolarHBondContact O-N 3.3Å; L674-S678 PolarHBondContact O-OG 3.08Å
675	A	97.6	Very high	96.8	Very high	42 Å²	42	46 Å²	46	35%	0.347	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-41.2	174	0	0	0	0	0	111.5	Y551 P671 E672 L673 S678 A679	Y551-A675 HydrophobicContact CD1-CB 4.22Å; Y551-A675 HydrophobicContact CE1-CB 3.96Å; P671-A675 WeakPolarHBondContact O-CB 3.44Å; P671-A675 PolarHBondContact O-N 3.05Å; E672-A675 WeakPolarHBondContact O-CB 3.48Å; E672-A675 PolarHBondContact O-N 3.35Å; L673-A675 VanDerWaalsContact C-N 3.27Å; L673-A675 PolarHBondContact O-N 3.36Å; A675-S678 PolarHBondContact O-N 2.53Å; A675-A679 VanDerWaalsContact O-CB 3.22Å; A675-A679 WeakPolarHBondContact O-CB 3.22Å; A675-A679 PolarHBondContact O-N 2.83Å
676	Q	97.8	Very high	97	Very high	16 Å²	16	49.6 Å²	49.6	8%	0.075	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-49.7	174.1	-174.1	-168.4	10.8	0	0	112	M547 S550 P553 E672 L673 S678 A679 A680	M547-Q676 HydrophobicContact CE-CB 4.49Å; M547-Q676 HydrophobicContact CE-CG 3.91Å; S550-Q676 PolarHBondContact O-OE1 3.02Å; P553-Q676 VanDerWaalsContact CD-NE2 3.32Å; E672-Q676 PolarHBondContact O-N 3.35Å; L673-Q676 VanDerWaalsContact CD1-OE1 3.29Å; L673-Q676 WeakPolarHBondContact O-CB 3.45Å; L673-Q676 PolarHBondContact O-N 3.3Å; L673-Q676 VanDerWaalsContact O-N 3.15Å; Q676-S678 VanDerWaalsContact C-N 3.35Å; Q676-S678 PolarHBondContact O-N 2.85Å; Q676-A679 PolarHBondContact O-N 3.1Å; Q676-A680 PolarHBondContact O-N 2.72Å
677	M	98.1	Very high	97.1	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-56.8	-48.7	176.4	-70.9	174.8	170.5	0	0	111.2	L544 M547 L664 L667 P669 L673 L674 A679 A680 M681	L544-M677 HydrophobicContact CD2-CB 3.76Å; L544-M677 HydrophobicContact CD2-CG 3.66Å; L544-M677 HydrophobicContact CD2-SD 4.03Å; L544-M677 WeakPolarHBondContact O-CE 3.49Å; M547-M677 HydrophobicContact CB-CE 3.74Å; M547-M677 HydrophobicContact CB-CG 4.46Å; M547-M677 HydrophobicContact CE-CB 4.18Å; M547-M677 HydrophobicContact CE-CG 3.55Å; M547-M677 HydrophobicContact SD-CG 4.02Å; L664-M677 HydrophobicContact CD2-CB 4.42Å; L664-M677 HydrophobicContact CD2-SD 3.65Å; L667-M677 HydrophobicContact CD1-CE 4.08Å; P669-M677 HydrophobicContact CB-SD 4.27Å; P669-M677 HydrophobicContact CG-SD 4.27Å; L673-M677 HydrophobicContact CD1-CE 4.22Å; L673-M677 HydrophobicContact CD2-CE 4.11Å; L673-M677 HydrophobicContact CG-CE 3.95Å; L673-M677 HydrophobicContact CG-SD 4.42Å; L673-M677 WeakPolarHBondContact O-CG 3.27Å; L673-M677 PolarHBondContact O-N 2.86Å; L674-M677 PolarHBondContact O-N 3.15Å; M677-A679 PolarHBondContact O-N 2.78Å; M677-A680 PolarHBondContact O-N 3.25Å; M677-M681 WeakPolarHBondContact O-CG 3.45Å; M677-M681 PolarHBondContact O-N 3.1Å; M677-M681 VanDerWaalsContact O-N 3.07Å
678	S	97.3	Very high	97.3	Very high	53 Å²	53	45.5 Å²	45.5	37%	0.371	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-41.1	179.6	-58.3	0	0	0	0	111.9	L674 A675 Q676 A682	L674-S678 VanDerWaalsContact O-CB 3.25Å; L674-S678 WeakPolarHBondContact O-CB 3.41Å; L674-S678 PolarHBondContact O-N 3.3Å; L674-S678 PolarHBondContact O-OG 3.08Å; A675-S678 PolarHBondContact O-N 2.53Å; Q676-S678 VanDerWaalsContact C-N 3.35Å; Q676-S678 PolarHBondContact O-N 2.85Å; S678-A682 WeakPolarHBondContact O-CB 3.24Å; S678-A682 PolarHBondContact O-N 2.79Å
679	A	97.3	Very high	97.4	Very high	53 Å²	53	42.7 Å²	42.7	44%	0.438	28%	0.275	S	S	.	.	H	α-helix	trans	-64.8	-46	177.5	0	0	0	0	0	111.8	A675 Q676 M677 M681 A682 V683	A675-A679 VanDerWaalsContact O-CB 3.22Å; A675-A679 WeakPolarHBondContact O-CB 3.22Å; A675-A679 PolarHBondContact O-N 2.83Å; Q676-A679 PolarHBondContact O-N 3.1Å; M677-A679 PolarHBondContact O-N 2.78Å; A679-M681 VanDerWaalsContact C-N 3.35Å; A679-M681 PolarHBondContact O-N 3.16Å; A679-A682 PolarHBondContact O-N 2.85Å; A679-V683 VanDerWaalsContact O-CG2 3.25Å; A679-V683 WeakPolarHBondContact O-CG2 3.46Å; A679-V683 PolarHBondContact O-N 3.48Å
680	A	97.5	Very high	97.5	Very high	11 Å²	11	44.5 Å²	44.5	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-46.8	177.4	0	0	0	0	0	111.4	V562 Q676 M677 G684	V562-A680 HydrophobicContact CG1-CB 4.28Å; Q676-A680 PolarHBondContact O-N 2.72Å; M677-A680 PolarHBondContact O-N 3.25Å; A680-G684 PolarHBondContact O-N 3.47Å
681	M	98.2	Very high	97.4	Very high	35 Å²	35	46.1 Å²	46.1	17%	0.172	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-42.2	177.7	-66.9	-171.4	-65	0	0	112.7	L544 S569 L664 M677 A679 G684 G685	L544-M681 HydrophobicContact CD1-SD 4.05Å; L544-M681 HydrophobicContact CD2-SD 4.37Å; S569-M681 WeakPolarHBondContact CB-O 3.32Å; S569-M681 WeakPolarHBondContact OG-CA 3.47Å; S569-M681 WeakPolarHBondContact OG-CG 3.31Å; L664-M681 HydrophobicContact CD1-CE 4.14Å; M677-M681 WeakPolarHBondContact O-CG 3.45Å; M677-M681 PolarHBondContact O-N 3.1Å; M677-M681 VanDerWaalsContact O-N 3.07Å; A679-M681 VanDerWaalsContact C-N 3.35Å; A679-M681 PolarHBondContact O-N 3.16Å; M681-G684 PolarHBondContact O-N 2.87Å; M681-G685 PolarHBondContact O-N 2.76Å
682	A	97.9	Very high	97.2	Very high	57 Å²	57	41.4 Å²	41.4	47%	0.471	26%	0.259	S	S	.	.	H	α-helix	trans	-65.3	-43	-179.3	0	0	0	0	0	112.1	S678 A679 T686	S678-A682 WeakPolarHBondContact O-CB 3.24Å; S678-A682 PolarHBondContact O-N 2.79Å; A679-A682 PolarHBondContact O-N 2.85Å; A682-T686 VanDerWaalsContact O-CB 3.29Å; A682-T686 WeakPolarHBondContact O-CB 3.49Å; A682-T686 PolarHBondContact O-N 2.92Å; A682-T686 PolarHBondContact O-OG1 3Å
683	V	98	Very high	97.1	Very high	89 Å²	89	46.1 Å²	46.1	54%	0.539	28%	0.279	S	S	.	.	H	α-helix	trans	-67.8	-44.2	177.7	-178.8	0	0	0	0	110.3	F566 A679 T686 A687	F566-V683 HydrophobicContact CD2-CB 4.49Å; F566-V683 HydrophobicContact CD2-CG1 4.47Å; F566-V683 HydrophobicContact CE2-CB 4.32Å; F566-V683 HydrophobicContact CE2-CG1 3.88Å; A679-V683 VanDerWaalsContact O-CG2 3.25Å; A679-V683 WeakPolarHBondContact O-CG2 3.46Å; A679-V683 PolarHBondContact O-N 3.48Å; V683-T686 PolarHBondContact O-N 3.23Å; V683-A687 PolarHBondContact O-N 3.3Å
684	G	97.9	Very high	96.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-50.1	175.7	0	0	0	0	0	112.3	F566 V570 A680 M681 T686 A687 G688	F566-G684 VanDerWaalsContact CE2-CA 3.47Å; V570-G684 WeakPolarHBondContact CA-O 3.34Å; V570-G684 WeakPolarHBondContact CG2-O 3.47Å; A680-G684 PolarHBondContact O-N 3.47Å; M681-G684 PolarHBondContact O-N 2.87Å; G684-T686 VanDerWaalsContact C-N 3.35Å; G684-T686 PolarHBondContact O-N 3.46Å; G684-A687 WeakPolarHBondContact O-CB 3.47Å; G684-A687 PolarHBondContact O-N 3.35Å; G684-G688 PolarHBondContact O-N 3.48Å
685	G	97.8	Very high	96.7	Very high	11 Å²	11	51.6 Å²	51.6	11%	0.113	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-42.1	177.6	0	0	0	0	0	112.8	A573 M681 A687 G688 L689	A573-G685 WeakPolarHBondContact CB-O 3.27Å; M681-G685 PolarHBondContact O-N 2.76Å; G685-A687 VanDerWaalsContact C-N 3.34Å; G685-A687 PolarHBondContact O-N 2.98Å; G685-G688 PolarHBondContact O-N 2.74Å; G685-L689 WeakPolarHBondContact O-CG 3.39Å; G685-L689 PolarHBondContact O-N 3.38Å
686	T	98	Very high	96.4	Very high	86 Å²	86	54.1 Å²	54.1	53%	0.528	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-41.6	176.2	-59.4	0	0	0	0	111.8	A682 V683 G684 T690	A682-T686 VanDerWaalsContact O-CB 3.29Å; A682-T686 WeakPolarHBondContact O-CB 3.49Å; A682-T686 PolarHBondContact O-N 2.92Å; A682-T686 PolarHBondContact O-OG1 3Å; V683-T686 PolarHBondContact O-N 3.23Å; G684-T686 VanDerWaalsContact C-N 3.35Å; G684-T686 PolarHBondContact O-N 3.46Å; T686-T690 WeakPolarHBondContact O-CB 3.33Å; T686-T690 PolarHBondContact O-N 3.49Å; T686-T690 PolarHBondContact O-OG1 3.1Å
687	A	97.1	Very high	96.1	Very high	35 Å²	35	53.5 Å²	53.5	29%	0.289	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-45.8	174.7	0	0	0	0	0	111.3	V570 V683 G684 G685 T690 I691	V570-A687 HydrophobicContact CG2-CB 4.33Å; V683-A687 PolarHBondContact O-N 3.3Å; G684-A687 WeakPolarHBondContact O-CB 3.47Å; G684-A687 PolarHBondContact O-N 3.35Å; G685-A687 VanDerWaalsContact C-N 3.34Å; G685-A687 PolarHBondContact O-N 2.98Å; A687-T690 PolarHBondContact O-N 2.91Å; A687-I691 VanDerWaalsContact O-CG1 3.3Å; A687-I691 WeakPolarHBondContact O-CG1 3.27Å; A687-I691 PolarHBondContact O-N 3.01Å
688	G	96.6	Very high	95.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.5	-51.5	176	0	0	0	0	0	113	V570 G684 G685 T690 I691 A692	V570-G688 WeakPolarHBondContact O-CA 3.4Å; G684-G688 PolarHBondContact O-N 3.48Å; G685-G688 PolarHBondContact O-N 2.74Å; G688-T690 VanDerWaalsContact C-N 3.31Å; G688-T690 PolarHBondContact O-N 3.2Å; G688-I691 PolarHBondContact O-N 3.01Å; G688-A692 VanDerWaalsContact O-CB 3.27Å; G688-A692 WeakPolarHBondContact O-CB 3.26Å; G688-A692 PolarHBondContact O-N 2.92Å
689	L	97.3	Very high	95.3	Very high	83 Å²	83	55.3 Å²	55.3	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-58.8	-41.9	176.9	-68.9	172.7	0	0	0	112.1	A573 L577 G685 K693	A573-L689 HydrophobicContact CB-CD2 4.09Å; A573-L689 HydrophobicContact CB-CG 3.89Å; L577-L689 HydrophobicContact CB-CD2 4.17Å; L577-L689 HydrophobicContact CD2-CD2 4.04Å; L577-L689 WeakPolarHBondContact CD2-O 3.43Å; G685-L689 WeakPolarHBondContact O-CG 3.39Å; G685-L689 PolarHBondContact O-N 3.38Å; L689-K693 VanDerWaalsContact O-CB 3.25Å; L689-K693 WeakPolarHBondContact O-CB 3.5Å; L689-K693 PolarHBondContact O-N 3.43Å
690	T	96.9	Very high	94.9	Very high	66 Å²	66	53 Å²	53	41%	0.405	29%	0.29	S	S	.	.	H	α-helix	trans	-66.2	-42	-179	-58.7	0	0	0	0	111.7	T686 A687 G688 K694	T686-T690 WeakPolarHBondContact O-CB 3.33Å; T686-T690 PolarHBondContact O-N 3.49Å; T686-T690 PolarHBondContact O-OG1 3.1Å; A687-T690 PolarHBondContact O-N 2.91Å; G688-T690 VanDerWaalsContact C-N 3.31Å; G688-T690 PolarHBondContact O-N 3.2Å; T690-K694 HydrophobicContact CG2-CD 4.43Å; T690-K694 WeakPolarHBondContact O-CG 3.31Å; T690-K694 PolarHBondContact O-N 3.07Å
691	I	95.3	Very high	94.7	Very high	81 Å²	81	52.5 Å²	52.5	42%	0.415	29%	0.286	S	S	.	.	H	α-helix	trans	-66.3	-52	177.1	-67.4	165.1	0	0	0	109.9	A687 G688 K693 K694 I695 L703	A687-I691 VanDerWaalsContact O-CG1 3.3Å; A687-I691 WeakPolarHBondContact O-CG1 3.27Å; A687-I691 PolarHBondContact O-N 3.01Å; G688-I691 PolarHBondContact O-N 3.01Å; I691-K693 VanDerWaalsContact C-N 3.26Å; I691-K693 PolarHBondContact O-N 2.85Å; I691-K694 PolarHBondContact O-N 3.33Å; I691-K694 VanDerWaalsContact O-N 3.13Å; I691-I695 PolarHBondContact O-N 3.28Å; I691-L703 HydrophobicContact CG2-CD1 3.74Å
692	A	93.7	Very high	94.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-27.9	-177.9	0	0	0	0	0	114	G574 L577 V578 R581 G688	G574-A692 WeakPolarHBondContact O-CB 3.42Å; L577-A692 HydrophobicContact CB-CB 4.02Å; L577-A692 HydrophobicContact CD2-CB 3.86Å; L577-A692 HydrophobicContact CG-CB 4.23Å; V578-A692 HydrophobicContact CG2-CB 3.62Å; R581-A692 PolarHBondContact NH1-O 3.39Å; G688-A692 VanDerWaalsContact O-CB 3.27Å; G688-A692 WeakPolarHBondContact O-CB 3.26Å; G688-A692 PolarHBondContact O-N 2.92Å
693	K	94.3	Very high	94.1	Very high	162 Å²	162	49.3 Å²	49.3	70%	0.704	26%	0.261	S	S	*	.	H	α-helix	trans	-76	-31.4	176.1	-171.6	171.8	-179.3	176.4	0	113.1	L577 L689 I691	L577-K693 HydrophobicContact CD2-CB 4.03Å; L689-K693 VanDerWaalsContact O-CB 3.25Å; L689-K693 WeakPolarHBondContact O-CB 3.5Å; L689-K693 PolarHBondContact O-N 3.43Å; I691-K693 VanDerWaalsContact C-N 3.26Å; I691-K693 PolarHBondContact O-N 2.85Å
694	K	93.9	Very high	93.8	Very high	170 Å²	170	45.2 Å²	45.2	74%	0.739	24%	0.237	S	C	*	.	H	α-helix	trans	-87.2	-18.2	-172.6	-74.1	-179.1	178.2	-177.7	0	114.2	T690 I691	T690-K694 HydrophobicContact CG2-CD 4.43Å; T690-K694 WeakPolarHBondContact O-CG 3.31Å; T690-K694 PolarHBondContact O-N 3.07Å; I691-K694 PolarHBondContact O-N 3.33Å; I691-K694 VanDerWaalsContact O-N 3.13Å
695	I	91.6	Very high	93.6	Very high	32 Å²	32	45.2 Å²	45.2	16%	0.164	24%	0.237	C	C	.	.			trans	-78.4	141.8	-174	-165.7	165.7	0	0	0	113	R581 I691 D699 L703	R581-I695 PolarHBondContact NH1-O 3.15Å; R581-I695 PolarHBondContact NH2-O 2.73Å; R581-I695 VanDerWaalsContact NH2-O 3.07Å; I691-I695 PolarHBondContact O-N 3.28Å; I695-D699 HydrophobicContact CD1-CB 3.87Å; I695-D699 WeakPolarHBondContact CD1-O 3.36Å; I695-D699 HydrophobicContact CG1-CB 3.77Å; I695-L703 HydrophobicContact CD1-CB 3.45Å; I695-L703 VanDerWaalsContact CD1-CB 3.45Å; I695-L703 HydrophobicContact CD1-CD1 4.48Å; I695-L703 HydrophobicContact CD1-CD2 3.76Å; I695-L703 HydrophobicContact CD1-CG 4.1Å; I695-L703 HydrophobicContact CG2-CD2 3.91Å
696	E	92.3	Very high	93.4	Very high	95 Å²	95	46 Å²	46	44%	0.444	24%	0.242	S	C	.	.			trans	-78.5	148.2	168.1	-64.1	-167.4	177.7	0	0	110.6	S698 D699 K940	E696-S698 PolarHBondContact O-N 3.43Å; E696-D699 PolarHBondContact O-N 3.3Å; E696-K940 IonicContact OE1-NZ 3.2Å; E696-K940 IonicContact OE2-NZ 2.66Å; E696-K940 PolarHBondContact OE2-NZ 3.36Å
697	I	90.3	Very high	93.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-64.2	-27.5	-178.6	-58.4	-56	0	0	0	112.2	M582 M585 D699 L700 V976 L977	M582-I697 HydrophobicContact CG-CD1 4.31Å; M585-I697 HydrophobicContact CE-CD1 3.73Å; M585-I697 HydrophobicContact CE-CG1 3.54Å; M585-I697 HydrophobicContact SD-CD1 4.19Å; M585-I697 HydrophobicContact SD-CG1 3.85Å; I697-D699 PolarHBondContact O-N 2.98Å; I697-L700 WeakPolarHBondContact O-CB 3.42Å; I697-L700 PolarHBondContact O-N 3.3Å; I697-V976 HydrophobicContact CG2-CB 4.46Å; I697-V976 HydrophobicContact CG2-CG1 3.67Å; I697-L977 HydrophobicContact CB-CD2 4.22Å; I697-L977 HydrophobicContact CG2-CD2 3.9Å
698	S	87.7	Confident	92.8	Very high	34 Å²	34	40.6 Å²	40.6	24%	0.238	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-61.6	-27.2	173.1	53.2	0	0	0	0	113.6	E696 Q973	E696-S698 PolarHBondContact O-N 3.43Å; S698-Q973 PolarHBondContact O-NE2 3.22Å
699	D	91.4	Very high	92.8	Very high	58 Å²	58	41 Å²	41	31%	0.31	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-93.4	6	-179.7	-66.8	-35.2	0	0	0	113.4	I695 E696 I697 P701 Q702 L703	I695-D699 HydrophobicContact CD1-CB 3.87Å; I695-D699 WeakPolarHBondContact CD1-O 3.36Å; I695-D699 HydrophobicContact CG1-CB 3.77Å; E696-D699 PolarHBondContact O-N 3.3Å; I697-D699 PolarHBondContact O-N 2.98Å; D699-P701 VanDerWaalsContact C-CD 3.4Å; D699-Q702 PolarHBondContact O-N 3.46Å; D699-Q702 PolarHBondContact O-OE1 3.08Å; D699-Q702 PolarHBondContact OD1-NE2 3.32Å; D699-L703 PolarHBondContact O-N 3Å
700	L	90.1	Very high	92.8	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-54.8	-42	179.4	-177.1	65.3	0	0	0	113.9	V578 M582 I697 Q702 L703 V704 M970	V578-L700 HydrophobicContact CG1-CD1 3.36Å; M582-L700 HydrophobicContact CE-CD2 4.34Å; M582-L700 HydrophobicContact SD-CD2 3.3Å; M582-L700 WeakPolarHBondContact SD-CD2 3.28Å; I697-L700 WeakPolarHBondContact O-CB 3.42Å; I697-L700 PolarHBondContact O-N 3.3Å; L700-Q702 VanDerWaalsContact C-N 3.25Å; L700-Q702 PolarHBondContact O-N 3.02Å; L700-L703 PolarHBondContact O-N 3.4Å; L700-L703 VanDerWaalsContact O-N 3.14Å; L700-V704 HydrophobicContact CD1-CG2 4.12Å; L700-V704 HydrophobicContact CG-CG2 4.19Å; L700-V704 WeakPolarHBondContact O-CG2 3.38Å; L700-V704 PolarHBondContact O-N 3.47Å; L700-M970 HydrophobicContact CD2-CE 4.5Å; L700-M970 HydrophobicContact CD2-SD 4.06Å; L700-M970 HydrophobicContact CG-SD 4.06Å
701	P	91.7	Very high	92.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.5	-38.1	179.1	-24.2	33.9	0	0	0	113.1	D699 A705 L764 I836 R969 M970	D699-P701 VanDerWaalsContact C-CD 3.4Å; P701-A705 PolarHBondContact O-N 3.39Å; P701-A705 VanDerWaalsContact O-N 3.12Å; P701-L764 HydrophobicContact CB-CD1 4.16Å; P701-I836 HydrophobicContact CB-CD1 4.29Å; P701-R969 HydrophobicContact CG-CB 4.11Å; P701-M970 HydrophobicContact CB-CB 4.22Å; P701-M970 HydrophobicContact CG-CB 3.82Å; P701-M970 HydrophobicContact CG-SD 4.45Å
702	Q	92.3	Very high	92.9	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.056	16%	0.157	C	C	.	.	H	α-helix	trans	-67.8	-42.7	178.1	-59.2	98.4	-62.5	0	0	111.3	D699 L700 A705 A706 Y761 L764 Q765	D699-Q702 PolarHBondContact O-N 3.46Å; D699-Q702 PolarHBondContact O-OE1 3.08Å; D699-Q702 PolarHBondContact OD1-NE2 3.32Å; L700-Q702 VanDerWaalsContact C-N 3.25Å; L700-Q702 PolarHBondContact O-N 3.02Å; Q702-A705 PolarHBondContact O-N 3.23Å; Q702-A706 PolarHBondContact O-N 3.25Å; Q702-Y761 HydrophobicContact CB-CD2 3.83Å; Q702-Y761 HydrophobicContact CB-CE2 4Å; Q702-Y761 WeakPolarHBondContact O-CD2 3.27Å; Q702-L764 HydrophobicContact CG-CB 3.63Å; Q702-Q765 HydrophobicContact CG-CB 4.34Å; Q702-Q765 VanDerWaalsContact NE2-OE1 3.1Å
703	L	91.6	Very high	93.1	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.068	17%	0.17	C	C	.	.	H	α-helix	trans	-65.8	-41	178.8	-176.9	63.2	0	0	0	112.3	V578 I691 I695 D699 L700 A705 A706 F707	V578-L703 HydrophobicContact CG2-CD2 3.84Å; I691-L703 HydrophobicContact CG2-CD1 3.74Å; I695-L703 HydrophobicContact CD1-CB 3.45Å; I695-L703 VanDerWaalsContact CD1-CB 3.45Å; I695-L703 HydrophobicContact CD1-CD1 4.48Å; I695-L703 HydrophobicContact CD1-CD2 3.76Å; I695-L703 HydrophobicContact CD1-CG 4.1Å; I695-L703 HydrophobicContact CG2-CD2 3.91Å; D699-L703 PolarHBondContact O-N 3Å; L700-L703 PolarHBondContact O-N 3.4Å; L700-L703 VanDerWaalsContact O-N 3.14Å; L703-A705 VanDerWaalsContact C-N 3.34Å; L703-A705 PolarHBondContact O-N 2.94Å; L703-A706 WeakPolarHBondContact O-CB 3.45Å; L703-A706 PolarHBondContact O-N 3.46Å; L703-A706 VanDerWaalsContact O-N 3.15Å; L703-F707 HydrophobicContact CD1-CD1 4.19Å; L703-F707 HydrophobicContact CD1-CD2 4.43Å; L703-F707 HydrophobicContact CD1-CE1 3.66Å; L703-F707 HydrophobicContact CD1-CE2 3.93Å; L703-F707 HydrophobicContact CD1-CZ 3.52Å; L703-F707 HydrophobicContact CD2-CE2 3.84Å; L703-F707 HydrophobicContact CD2-CZ 3.96Å; L703-F707 HydrophobicContact CG-CD2 4.06Å; L703-F707 HydrophobicContact CG-CE1 4.29Å; L703-F707 HydrophobicContact CG-CE2 3.63Å; L703-F707 HydrophobicContact CG-CZ 3.76Å; L703-F707 WeakPolarHBondContact O-CG 3.4Å; L703-F707 PolarHBondContact O-N 3.43Å
704	V	91.3	Very high	93.3	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-58.6	-47.2	175	166.5	0	0	0	0	110.4	M529 L700 A706 F707 H708 I836 M970	M529-V704 HydrophobicContact CE-CG1 3.79Å; L700-V704 HydrophobicContact CD1-CG2 4.12Å; L700-V704 HydrophobicContact CG-CG2 4.19Å; L700-V704 WeakPolarHBondContact O-CG2 3.38Å; L700-V704 PolarHBondContact O-N 3.47Å; V704-A706 PolarHBondContact O-N 3.31Å; V704-F707 PolarHBondContact O-N 2.95Å; V704-H708 VanDerWaalsContact CG1-CE1 3.45Å; V704-H708 WeakPolarHBondContact CG1-CE1 3.27Å; V704-H708 PolarHBondContact O-CD2 3.45Å; V704-H708 PolarHBondContact O-N 2.94Å; V704-H708 VanDerWaalsContact O-N 3.11Å; V704-I836 HydrophobicContact CG1-CG2 3.59Å; V704-M970 HydrophobicContact CG1-CE 4.35Å; V704-M970 HydrophobicContact CG2-CE 3.81Å; V704-M970 HydrophobicContact CG2-SD 4.18Å
705	A	93.6	Very high	93.5	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-42.6	173.9	0	0	0	0	0	112.1	P701 Q702 L703 F707 H708 S709 S757 A760	P701-A705 PolarHBondContact O-N 3.39Å; P701-A705 VanDerWaalsContact O-N 3.12Å; Q702-A705 PolarHBondContact O-N 3.23Å; L703-A705 VanDerWaalsContact C-N 3.34Å; L703-A705 PolarHBondContact O-N 2.94Å; A705-F707 PolarHBondContact O-N 3.17Å; A705-H708 PolarHBondContact O-N 3.4Å; A705-S709 PolarHBondContact O-N 3.4Å; A705-S757 WeakPolarHBondContact O-CB 3.42Å; A705-A760 HydrophobicContact CB-CB 4.29Å
706	A	94.3	Very high	93.8	Very high	26 Å²	26	17.8 Å²	17.8	22%	0.215	10%	0.098	C	C	.	.	H	α-helix	trans	-61.4	-42.8	176.9	0	0	0	0	0	112.3	Q702 L703 V704 S709 L710 Y761	Q702-A706 PolarHBondContact O-N 3.25Å; L703-A706 WeakPolarHBondContact O-CB 3.45Å; L703-A706 PolarHBondContact O-N 3.46Å; L703-A706 VanDerWaalsContact O-N 3.15Å; V704-A706 PolarHBondContact O-N 3.31Å; A706-S709 WeakPolarHBondContact O-CB 3.17Å; A706-S709 PolarHBondContact O-N 3.08Å; A706-S709 PolarHBondContact O-OG 3.31Å; A706-L710 PolarHBondContact O-N 3.17Å; A706-Y761 HydrophobicContact CB-CD2 4.29Å
707	F	91.4	Very high	94.1	Very high	9 Å²	9	14.5 Å²	14.5	4%	0.039	8%	0.083	C	C	.	.	H	α-helix	trans	-65.8	-40	179.2	-71.8	-21.1	0	0	0	113.3	V570 N571 L703 V704 A705 S709 L710 V711	V570-F707 HydrophobicContact CG1-CE1 4.36Å; N571-F707 PolarHBondContact ND2-O 3.48Å; N571-F707 WeakPolarHBondContact OD1-CA 3.16Å; N571-F707 WeakPolarHBondContact OD1-CB 3.5Å; N571-F707 WeakPolarHBondContact OD1-CD1 3.47Å; N571-F707 WeakPolarHBondContact OD1-CG 3.44Å; N571-F707 PolarHBondContact OD1-O 2.96Å; L703-F707 HydrophobicContact CD1-CD1 4.19Å; L703-F707 HydrophobicContact CD1-CD2 4.43Å; L703-F707 HydrophobicContact CD1-CE1 3.66Å; L703-F707 HydrophobicContact CD1-CE2 3.93Å; L703-F707 HydrophobicContact CD1-CZ 3.52Å; L703-F707 HydrophobicContact CD2-CE2 3.84Å; L703-F707 HydrophobicContact CD2-CZ 3.96Å; L703-F707 HydrophobicContact CG-CD2 4.06Å; L703-F707 HydrophobicContact CG-CE1 4.29Å; L703-F707 HydrophobicContact CG-CE2 3.63Å; L703-F707 HydrophobicContact CG-CZ 3.76Å; L703-F707 WeakPolarHBondContact O-CG 3.4Å; L703-F707 PolarHBondContact O-N 3.43Å; V704-F707 PolarHBondContact O-N 2.95Å; A705-F707 PolarHBondContact O-N 3.17Å; F707-S709 PolarHBondContact O-N 3.46Å; F707-L710 HydrophobicContact CD1-CD1 4.34Å; F707-L710 WeakPolarHBondContact O-CB 3.46Å; F707-L710 PolarHBondContact O-N 2.85Å; F707-V711 PolarHBondContact O-N 3.17Å
708	H	92.3	Very high	94.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.5	-36.7	173.4	-59.5	158.7	0	0	0	111.8	N533 V704 A705 L710 V711 G712 T753 S757 I836	N533-H708 PolarHBondContact ND2-CD2 3.47Å; N533-H708 PolarHBondContact ND2-NE2 3.26Å; N533-H708 PolarHBondContact OD1-CD2 3.3Å; N533-H708 PolarHBondContact OD1-NE2 2.93Å; V704-H708 VanDerWaalsContact CG1-CE1 3.45Å; V704-H708 WeakPolarHBondContact CG1-CE1 3.27Å; V704-H708 PolarHBondContact O-CD2 3.45Å; V704-H708 PolarHBondContact O-N 2.94Å; V704-H708 VanDerWaalsContact O-N 3.11Å; A705-H708 PolarHBondContact O-N 3.4Å; H708-L710 VanDerWaalsContact C-N 3.28Å; H708-L710 PolarHBondContact O-N 3.4Å; H708-V711 PolarHBondContact O-N 3Å; H708-G712 PolarHBondContact O-N 3.36Å; H708-T753 HydrophobicContact CB-CG2 4.42Å; H708-S757 WeakPolarHBondContact CB-OG 3.18Å; H708-I836 PolarHBondContact CE1-O 3.2Å; H708-I836 VanDerWaalsContact CE1-O 3.31Å
709	S	96.3	Very high	95	Very high	7 Å²	7	12.7 Å²	12.7	5%	0.049	7%	0.071	C	C	.	.	H	α-helix	trans	-62	-38.5	177.3	80.9	0	0	0	0	111.9	A705 A706 F707 G712 L713 F754	A705-S709 PolarHBondContact O-N 3.4Å; A706-S709 WeakPolarHBondContact O-CB 3.17Å; A706-S709 PolarHBondContact O-N 3.08Å; A706-S709 PolarHBondContact O-OG 3.31Å; F707-S709 PolarHBondContact O-N 3.46Å; S709-G712 PolarHBondContact O-N 2.91Å; S709-L713 WeakPolarHBondContact O-CB 3.28Å; S709-L713 PolarHBondContact O-N 3.45Å; S709-F754 WeakPolarHBondContact O-CD2 3.27Å
710	L	97.2	Very high	95.3	Very high	40 Å²	40	11 Å²	11	21%	0.209	6%	0.063	C	C	.	.	H	α-helix	trans	-66.7	-37.4	177.5	-60.4	-176.4	0	0	0	111.9	I567 V570 A706 F707 H708 A714	I567-L710 HydrophobicContact CB-CB 4.41Å; I567-L710 HydrophobicContact CB-CD2 4.39Å; I567-L710 WeakPolarHBondContact CD1-O 3.41Å; I567-L710 HydrophobicContact CG2-CD2 4.49Å; V570-L710 HydrophobicContact CB-CD1 4.17Å; V570-L710 HydrophobicContact CG1-CD1 3.89Å; A706-L710 PolarHBondContact O-N 3.17Å; F707-L710 HydrophobicContact CD1-CD1 4.34Å; F707-L710 WeakPolarHBondContact O-CB 3.46Å; F707-L710 PolarHBondContact O-N 2.85Å; H708-L710 VanDerWaalsContact C-N 3.28Å; H708-L710 PolarHBondContact O-N 3.4Å; L710-A714 WeakPolarHBondContact O-CB 3.41Å; L710-A714 PolarHBondContact O-N 2.94Å
711	V	97	Very high	95.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.7	-48.5	173.5	-174.4	0	0	0	0	110.6	S536 T539 N571 F707 H708 L713 A714 A715 L847	S536-V711 WeakPolarHBondContact OG-CG2 3.22Å; T539-V711 HydrophobicContact CG2-CG1 3.86Å; N571-V711 WeakPolarHBondContact ND2-CG2 3.38Å; F707-V711 PolarHBondContact O-N 3.17Å; H708-V711 PolarHBondContact O-N 3Å; V711-L713 VanDerWaalsContact C-N 3.3Å; V711-L713 PolarHBondContact O-N 3.34Å; V711-A714 PolarHBondContact O-N 2.94Å; V711-A715 PolarHBondContact O-N 2.72Å; V711-L847 HydrophobicContact CG1-CD1 3.56Å
712	G	97.1	Very high	96	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.9	-41.2	179.5	0	0	0	0	0	112.4	H708 S709 V716 G750	H708-G712 PolarHBondContact O-N 3.36Å; S709-G712 PolarHBondContact O-N 2.91Å; G712-V716 WeakPolarHBondContact O-CG2 3.29Å; G712-V716 PolarHBondContact O-N 3.48Å; G712-V716 VanDerWaalsContact O-N 3.17Å; G712-G750 CarbonylContact C-O 3.49Å; G712-G750 WeakPolarHBondContact CA-O 3.44Å; G712-G750 CarbonylContact O-C 3.35Å; G712-G750 VanDerWaalsContact O-CA 3.31Å; G712-G750 WeakPolarHBondContact O-CA 3.25Å
713	L	98.2	Very high	96.2	Very high	52 Å²	52	11.1 Å²	11.1	27%	0.272	6%	0.063	S	C	.	.	H	α-helix	trans	-66.3	-44.1	175.1	-177.2	60.6	0	0	0	111.8	I567 S709 V711 A715 V716 L717 F754	I567-L713 HydrophobicContact CD1-CB 4.07Å; I567-L713 HydrophobicContact CD1-CD2 4.06Å; I567-L713 HydrophobicContact CD1-CG 3.97Å; S709-L713 WeakPolarHBondContact O-CB 3.28Å; S709-L713 PolarHBondContact O-N 3.45Å; V711-L713 VanDerWaalsContact C-N 3.3Å; V711-L713 PolarHBondContact O-N 3.34Å; L713-A715 VanDerWaalsContact C-N 3.32Å; L713-A715 PolarHBondContact O-N 2.75Å; L713-V716 PolarHBondContact O-N 3.46Å; L713-L717 HydrophobicContact CD1-CD1 4.46Å; L713-L717 HydrophobicContact CD1-CG 4.33Å; L713-L717 HydrophobicContact CG-CD1 4.07Å; L713-L717 HydrophobicContact CG-CG 4.39Å; L713-L717 VanDerWaalsContact O-CG 3.24Å; L713-L717 WeakPolarHBondContact O-CG 3.47Å; L713-L717 PolarHBondContact O-N 2.94Å; L713-F754 HydrophobicContact CB-CD2 3.82Å; L713-F754 HydrophobicContact CB-CE2 4.22Å; L713-F754 HydrophobicContact CB-CG 4.42Å; L713-F754 HydrophobicContact CD2-CE2 4.14Å
714	A	98.1	Very high	96.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.8	-45.4	177	0	0	0	0	0	111.3	T539 A564 I567 L710 V711 V716 L717 T718	T539-A714 HydrophobicContact CG2-CB 4.36Å; A564-A714 HydrophobicContact CB-CB 4.35Å; I567-A714 HydrophobicContact CD1-CB 3.85Å; I567-A714 HydrophobicContact CG1-CB 4Å; L710-A714 WeakPolarHBondContact O-CB 3.41Å; L710-A714 PolarHBondContact O-N 2.94Å; V711-A714 PolarHBondContact O-N 2.94Å; A714-V716 PolarHBondContact O-N 3.49Å; A714-L717 WeakPolarHBondContact O-CB 3.47Å; A714-L717 PolarHBondContact O-N 3.47Å; A714-L717 VanDerWaalsContact O-N 3.16Å; A714-T718 PolarHBondContact O-N 3.16Å; A714-T718 PolarHBondContact O-OG1 3.37Å
715	A	97.8	Very high	96.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-41.7	177.7	0	0	0	0	0	112.9	V711 L713 T718 C719 A846	V711-A715 PolarHBondContact O-N 2.72Å; L713-A715 VanDerWaalsContact C-N 3.32Å; L713-A715 PolarHBondContact O-N 2.75Å; A715-T718 PolarHBondContact O-N 3.19Å; A715-C719 WeakPolarHBondContact O-CB 3.43Å; A715-C719 PolarHBondContact O-N 3.49Å; A715-C719 PolarHBondContact O-SG 3.2Å; A715-A846 HydrophobicContact CB-CB 3.84Å
716	V	98.5	Very high	96.9	Very high	15 Å²	15	17.8 Å²	17.8	9%	0.091	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-46.5	174	170.2	0	0	0	0	110.6	G712 L713 A714 C719 V720 T747	G712-V716 WeakPolarHBondContact O-CG2 3.29Å; G712-V716 PolarHBondContact O-N 3.48Å; G712-V716 VanDerWaalsContact O-N 3.17Å; L713-V716 PolarHBondContact O-N 3.46Å; A714-V716 PolarHBondContact O-N 3.49Å; V716-C719 PolarHBondContact O-N 2.87Å; V716-V720 HydrophobicContact CG1-CG2 4.4Å; V716-V720 WeakPolarHBondContact O-CB 3.3Å; V716-V720 VanDerWaalsContact O-CG2 3.23Å; V716-V720 WeakPolarHBondContact O-CG2 3.36Å; V716-V720 PolarHBondContact O-N 3.39Å; V716-V720 VanDerWaalsContact O-N 3.08Å; V716-T747 HydrophobicContact CG1-CG2 4.29Å; V716-T747 HydrophobicContact CG2-CG2 4.46Å; V716-T747 WeakPolarHBondContact CG2-O 3.38Å
717	L	98.5	Very high	97	Very high	26 Å²	26	19.9 Å²	19.9	14%	0.136	10%	0.098	C	C	.	.	H	α-helix	trans	-62.1	-44.9	179.6	-66.4	172.4	0	0	0	111.5	L560 L563 A564 I567 L713 A714 A721	L560-L717 HydrophobicContact CB-CB 4.46Å; L560-L717 HydrophobicContact CB-CD2 4.33Å; L560-L717 HydrophobicContact CD2-CD2 3.74Å; L560-L717 HydrophobicContact CG-CD2 4.49Å; L563-L717 HydrophobicContact CB-CD1 3.94Å; A564-L717 HydrophobicContact CB-CB 4.17Å; A564-L717 HydrophobicContact CB-CD1 4.49Å; I567-L717 HydrophobicContact CD1-CD1 4.11Å; L713-L717 HydrophobicContact CD1-CD1 4.46Å; L713-L717 HydrophobicContact CD1-CG 4.33Å; L713-L717 HydrophobicContact CG-CD1 4.07Å; L713-L717 HydrophobicContact CG-CG 4.39Å; L713-L717 VanDerWaalsContact O-CG 3.24Å; L713-L717 WeakPolarHBondContact O-CG 3.47Å; L713-L717 PolarHBondContact O-N 2.94Å; A714-L717 WeakPolarHBondContact O-CB 3.47Å; A714-L717 PolarHBondContact O-N 3.47Å; A714-L717 VanDerWaalsContact O-N 3.16Å; L717-A721 WeakPolarHBondContact O-CB 3.26Å; L717-A721 PolarHBondContact O-N 3.27Å
718	T	98.2	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.4	-49.9	177.2	-55.7	0	0	0	0	111.3	L546 A714 A715 V720 A721 E722 E850 L854	L546-T718 HydrophobicContact CD1-CG2 3.75Å; A714-T718 PolarHBondContact O-N 3.16Å; A714-T718 PolarHBondContact O-OG1 3.37Å; A715-T718 PolarHBondContact O-N 3.19Å; T718-V720 VanDerWaalsContact C-N 3.32Å; T718-V720 PolarHBondContact O-N 3.19Å; T718-A721 PolarHBondContact O-N 3.27Å; T718-E722 WeakPolarHBondContact O-CB 3.33Å; T718-E722 PolarHBondContact O-N 2.99Å; T718-E850 VanDerWaalsContact CB-OE1 3.3Å; T718-E850 WeakPolarHBondContact CB-OE1 3.39Å; T718-E850 HydrophobicContact CG2-CG 3.85Å; T718-E850 WeakPolarHBondContact CG2-OE1 3.4Å; T718-E850 PolarHBondContact OG1-OE1 2.99Å; T718-L854 HydrophobicContact CG2-CD1 4.27Å
719	C	98.3	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.2	-39.4	-177	-66.9	0	0	0	0	112.5	A715 V716 Y723 A743 T747 L853	A715-C719 WeakPolarHBondContact O-CB 3.43Å; A715-C719 PolarHBondContact O-N 3.49Å; A715-C719 PolarHBondContact O-SG 3.2Å; V716-C719 PolarHBondContact O-N 2.87Å; C719-Y723 PolarHBondContact O-N 2.76Å; C719-A743 HydrophobicContact CB-CB 4.3Å; C719-A743 WeakPolarHBondContact CB-O 3.46Å; C719-T747 WeakPolarHBondContact CB-OG1 3.49Å; C719-L853 HydrophobicContact CB-CD2 4.42Å
720	V	98.3	Very high	97.1	Very high	23 Å²	23	29.3 Å²	29.3	14%	0.139	15%	0.149	C	C	.	.	H	α-helix	trans	-71.1	-42	177.1	174.2	0	0	0	0	110.6	L560 V716 T718 Y723 M724 M806	L560-V720 HydrophobicContact CD1-CB 4.45Å; L560-V720 HydrophobicContact CD1-CG1 3.97Å; V716-V720 HydrophobicContact CG1-CG2 4.4Å; V716-V720 WeakPolarHBondContact O-CB 3.3Å; V716-V720 VanDerWaalsContact O-CG2 3.23Å; V716-V720 WeakPolarHBondContact O-CG2 3.36Å; V716-V720 PolarHBondContact O-N 3.39Å; V716-V720 VanDerWaalsContact O-N 3.08Å; T718-V720 VanDerWaalsContact C-N 3.32Å; T718-V720 PolarHBondContact O-N 3.19Å; V720-Y723 PolarHBondContact O-N 3.31Å; V720-M724 HydrophobicContact CG1-SD 4.19Å; V720-M724 VanDerWaalsContact O-CG 3.27Å; V720-M724 WeakPolarHBondContact O-CG 3.49Å; V720-M724 PolarHBondContact O-N 3.3Å; V720-M724 VanDerWaalsContact O-N 3.11Å; V720-M806 HydrophobicContact CG1-CE 3.83Å
721	A	98.1	Very high	96.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-45.7	177	0	0	0	0	0	111.8	L546 A557 L560 L717 T718 Y723 M724 I725	L546-A721 HydrophobicContact CD1-CB 4.07Å; A557-A721 HydrophobicContact CB-CB 4.31Å; L560-A721 HydrophobicContact CB-CB 4.11Å; L560-A721 HydrophobicContact CD1-CB 4.43Å; L717-A721 WeakPolarHBondContact O-CB 3.26Å; L717-A721 PolarHBondContact O-N 3.27Å; T718-A721 PolarHBondContact O-N 3.27Å; A721-Y723 VanDerWaalsContact C-N 3.35Å; A721-Y723 PolarHBondContact O-N 3.27Å; A721-M724 WeakPolarHBondContact O-CB 3.38Å; A721-M724 PolarHBondContact O-N 3.2Å; A721-M724 VanDerWaalsContact O-N 3.11Å; A721-I725 WeakPolarHBondContact O-CG1 3.34Å; A721-I725 PolarHBondContact O-N 2.94Å
722	E	97.8	Very high	96.3	Very high	17 Å²	17	38 Å²	38	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-46.1	177.5	-174.7	72	169.4	0	0	111.4	L546 T718 M724 I725 E726 L853 L854	L546-E722 HydrophobicContact CD1-CB 4.02Å; L546-E722 WeakPolarHBondContact CD1-OE2 3.46Å; L546-E722 WeakPolarHBondContact CD2-OE2 3.48Å; T718-E722 WeakPolarHBondContact O-CB 3.33Å; T718-E722 PolarHBondContact O-N 2.99Å; E722-M724 PolarHBondContact O-N 2.93Å; E722-I725 PolarHBondContact O-N 3.25Å; E722-I725 VanDerWaalsContact O-N 3.14Å; E722-E726 HydrophobicContact CG-CG 4.41Å; E722-E726 WeakPolarHBondContact O-CB 3.39Å; E722-E726 PolarHBondContact O-N 2.99Å; E722-L853 HydrophobicContact CB-CD2 3.85Å; E722-L853 HydrophobicContact CB-CG 4.36Å; E722-L853 HydrophobicContact CG-CD1 4.02Å; E722-L853 HydrophobicContact CG-CD2 3.93Å; E722-L853 HydrophobicContact CG-CG 3.86Å; E722-L854 HydrophobicContact CG-CD2 4.47Å
723	Y	97.7	Very high	96	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-58	-39.7	176.6	-178	-90.2	0	0	0	111.7	C719 V720 A721 Y727 F730 K740 Y796 Y802 G805 M806 L809	C719-Y723 PolarHBondContact O-N 2.76Å; V720-Y723 PolarHBondContact O-N 3.31Å; A721-Y723 VanDerWaalsContact C-N 3.35Å; A721-Y723 PolarHBondContact O-N 3.27Å; Y723-Y727 HydrophobicContact CE1-CD2 4.21Å; Y723-Y727 AromaticContact CZ-CD2 3.96Å; Y723-Y727 WeakPolarHBondContact O-CB 3.37Å; Y723-Y727 PolarHBondContact O-N 3.12Å; Y723-Y727 VanDerWaalsContact O-N 3.08Å; Y723-Y727 WeakPolarHBondContact OH-CD2 3.49Å; Y723-F730 AromaticContact CD2-CE2 3.71Å; Y723-F730 HydrophobicContact CD2-CE2 3.71Å; Y723-F730 HydrophobicContact CD2-CZ 4.02Å; Y723-F730 HydrophobicContact CE2-CD2 4.41Å; Y723-F730 AromaticContact CE2-CE2 3.52Å; Y723-F730 HydrophobicContact CE2-CE2 3.52Å; Y723-F730 HydrophobicContact CE2-CZ 4.26Å; Y723-K740 HydrophobicContact CE2-CG 4.27Å; Y723-Y796 HydrophobicContact CD2-CE2 4.29Å; Y723-Y796 WeakPolarHBondContact CD2-OH 3.35Å; Y723-Y796 AromaticContact CE2-CE2 3.79Å; Y723-Y796 HydrophobicContact CE2-CE2 3.79Å; Y723-Y796 AromaticContact CE2-CZ 3.89Å; Y723-Y796 VanDerWaalsContact CE2-OH 3.28Å; Y723-Y796 WeakPolarHBondContact CE2-OH 3.35Å; Y723-Y802 HydrophobicContact CE1-CD2 4.19Å; Y723-Y802 HydrophobicContact CE1-CE2 4.34Å; Y723-G805 WeakPolarHBondContact OH-CA 3.42Å; Y723-M806 HydrophobicContact CD1-CG 4.23Å; Y723-M806 HydrophobicContact CD1-SD 3.5Å; Y723-M806 WeakPolarHBondContact CD1-SD 3.49Å; Y723-M806 HydrophobicContact CE1-CG 3.98Å; Y723-M806 HydrophobicContact CE1-SD 3.88Å; Y723-L809 HydrophobicContact CD1-CD1 3.82Å; Y723-L809 HydrophobicContact CD2-CD1 3.97Å; Y723-L809 HydrophobicContact CG-CD1 3.5Å; Y723-L809 VanDerWaalsContact CG-CD1 3.5Å
724	M	97.8	Very high	95.5	Very high	42 Å²	42	43.9 Å²	43.9	21%	0.207	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-37.3	178	-66.7	173.7	70.2	0	0	112.7	T556 A557 L560 V720 A721 E722 Y802 M806	T556-M724 HydrophobicContact CG2-CE 3.99Å; A557-M724 HydrophobicContact CB-CB 4.01Å; L560-M724 HydrophobicContact CD1-SD 4.12Å; V720-M724 HydrophobicContact CG1-SD 4.19Å; V720-M724 VanDerWaalsContact O-CG 3.27Å; V720-M724 WeakPolarHBondContact O-CG 3.49Å; V720-M724 PolarHBondContact O-N 3.3Å; V720-M724 VanDerWaalsContact O-N 3.11Å; A721-M724 WeakPolarHBondContact O-CB 3.38Å; A721-M724 PolarHBondContact O-N 3.2Å; A721-M724 VanDerWaalsContact O-N 3.11Å; E722-M724 PolarHBondContact O-N 2.93Å; M724-Y802 HydrophobicContact CG-CE2 4.5Å; M724-M806 HydrophobicContact CG-CE 4.05Å; M724-M806 HydrophobicContact CG-SD 3.79Å; M724-M806 HydrophobicContact SD-CE 4.08Å
725	I	96.4	Very high	95.3	Very high	57 Å²	57	44.3 Å²	44.3	29%	0.292	26%	0.255	S	S	.	.	H	α-helix	trans	-74	-47.2	-179.1	-69.1	166.5	0	0	0	110.7	L546 A557 A721 E722 P728	L546-I725 HydrophobicContact CB-CD1 3.96Å; L546-I725 HydrophobicContact CD2-CD1 4.09Å; L546-I725 HydrophobicContact CG-CD1 4.42Å; A557-I725 HydrophobicContact CB-CD1 3.97Å; A557-I725 HydrophobicContact CB-CG1 3.68Å; A721-I725 WeakPolarHBondContact O-CG1 3.34Å; A721-I725 PolarHBondContact O-N 2.94Å; E722-I725 PolarHBondContact O-N 3.25Å; E722-I725 VanDerWaalsContact O-N 3.14Å; I725-P728 WeakPolarHBondContact O-CD 3.5Å
726	E	95.9	Very high	95.1	Very high	57 Å²	57	44.6 Å²	44.6	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-87.8	-8.2	-172.9	-70.5	-58.5	143.5	0	0	114.3	E722 P728 H729 F730	E722-E726 HydrophobicContact CG-CG 4.41Å; E722-E726 WeakPolarHBondContact O-CB 3.39Å; E722-E726 PolarHBondContact O-N 2.99Å; E726-P728 VanDerWaalsContact C-CD 3.42Å; E726-P728 VanDerWaalsContact C-N 3.34Å; E726-H729 WeakPolarHBondContact O-CB 3.43Å; E726-H729 PolarHBondContact O-N 3.3Å; E726-H729 IonicContact OE1-ND1 2.77Å; E726-H729 IonicContact OE2-CE1 3.83Å; E726-H729 IonicContact OE2-CG 3.52Å; E726-H729 IonicContact OE2-ND1 2.94Å; E726-H729 PolarHBondContact OE2-ND1 3.1Å; E726-F730 HydrophobicContact CB-CE1 3.95Å; E726-F730 HydrophobicContact CB-CZ 4.1Å; E726-F730 PolarHBondContact O-N 2.95Å
727	Y	96.3	Very high	94.9	Very high	71 Å²	71	48.6 Å²	48.6	28%	0.278	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-48.1	-46.5	-179.9	173.9	-94.3	0	0	0	114.7	Y723 H729 F730 P800 Y802	Y723-Y727 HydrophobicContact CE1-CD2 4.21Å; Y723-Y727 AromaticContact CZ-CD2 3.96Å; Y723-Y727 WeakPolarHBondContact O-CB 3.37Å; Y723-Y727 PolarHBondContact O-N 3.12Å; Y723-Y727 VanDerWaalsContact O-N 3.08Å; Y723-Y727 WeakPolarHBondContact OH-CD2 3.49Å; Y727-H729 PolarHBondContact O-N 2.95Å; Y727-F730 HydrophobicContact CD2-CD2 4.13Å; Y727-F730 HydrophobicContact CD2-CE2 4.37Å; Y727-F730 PolarHBondContact O-N 3.26Å; Y727-P800 WeakPolarHBondContact CE2-O 3.37Å; Y727-P800 PolarHBondContact OH-O 2.91Å; Y727-Y802 AromaticContact CD1-CD2 3.78Å; Y727-Y802 HydrophobicContact CD1-CD2 3.78Å; Y727-Y802 HydrophobicContact CD1-CG 4.35Å; Y727-Y802 AromaticContact CD2-CD2 3.76Å; Y727-Y802 HydrophobicContact CD2-CD2 3.76Å; Y727-Y802 HydrophobicContact CD2-CG 4.46Å; Y727-Y802 HydrophobicContact CE1-CD2 4.19Å; Y727-Y802 HydrophobicContact CE1-CG 4.33Å; Y727-Y802 HydrophobicContact CE2-CD2 4.15Å; Y727-Y802 HydrophobicContact CE2-CG 4.41Å; Y727-Y802 AromaticContact CG-CD2 3.56Å; Y727-Y802 HydrophobicContact CG-CD2 3.56Å; Y727-Y802 HydrophobicContact CG-CE2 4.38Å; Y727-Y802 HydrophobicContact CG-CG 4.44Å; Y727-Y802 VanDerWaalsContact CZ-N 3.26Å; Y727-Y802 PolarHBondContact OH-N 3.21Å
728	P	95.1	Very high	94.7	Very high	88 Å²	88	48.9 Å²	48.9	57%	0.571	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-63.4	-22.5	179.3	-21.4	34.9	0	0	0	113.9	I725 E726	I725-P728 WeakPolarHBondContact O-CD 3.5Å; E726-P728 VanDerWaalsContact C-CD 3.42Å; E726-P728 VanDerWaalsContact C-N 3.34Å
729	H	94.4	Very high	94.5	Very high	94 Å²	94	50 Å²	50	44%	0.435	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-89.7	-16.9	-175.5	-53.1	127.9	0	0	0	113.5	E726 Y727 A731 T732 D733	E726-H729 WeakPolarHBondContact O-CB 3.43Å; E726-H729 PolarHBondContact O-N 3.3Å; E726-H729 IonicContact OE1-ND1 2.77Å; E726-H729 IonicContact OE2-CE1 3.83Å; E726-H729 IonicContact OE2-CG 3.52Å; E726-H729 IonicContact OE2-ND1 2.94Å; E726-H729 PolarHBondContact OE2-ND1 3.1Å; Y727-H729 PolarHBondContact O-N 2.95Å; H729-A731 PolarHBondContact O-N 3.33Å; H729-A731 VanDerWaalsContact O-N 3.08Å; H729-T732 PolarHBondContact O-N 3.11Å; H729-T732 PolarHBondContact O-OG1 3.29Å; H729-D733 PolarHBondContact O-N 3.3Å
730	F	93.3	Very high	94.5	Very high	32 Å²	32	50.5 Å²	50.5	14%	0.14	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.4	-177.8	-66.9	-30.7	0	0	0	114.4	Y723 E726 Y727 T732 A736 T739 K740	Y723-F730 AromaticContact CD2-CE2 3.71Å; Y723-F730 HydrophobicContact CD2-CE2 3.71Å; Y723-F730 HydrophobicContact CD2-CZ 4.02Å; Y723-F730 HydrophobicContact CE2-CD2 4.41Å; Y723-F730 AromaticContact CE2-CE2 3.52Å; Y723-F730 HydrophobicContact CE2-CE2 3.52Å; Y723-F730 HydrophobicContact CE2-CZ 4.26Å; E726-F730 HydrophobicContact CB-CE1 3.95Å; E726-F730 HydrophobicContact CB-CZ 4.1Å; E726-F730 PolarHBondContact O-N 2.95Å; Y727-F730 HydrophobicContact CD2-CD2 4.13Å; Y727-F730 HydrophobicContact CD2-CE2 4.37Å; Y727-F730 PolarHBondContact O-N 3.26Å; F730-T732 PolarHBondContact O-N 2.91Å; F730-A736 HydrophobicContact CB-CB 3.9Å; F730-A736 HydrophobicContact CD1-CB 3.71Å; F730-A736 HydrophobicContact CG-CB 4.12Å; F730-A736 WeakPolarHBondContact O-CB 3.27Å; F730-T739 HydrophobicContact CE1-CG2 4.02Å; F730-T739 HydrophobicContact CZ-CG2 4.45Å; F730-K740 HydrophobicContact CD2-CD 4.31Å; F730-K740 HydrophobicContact CD2-CG 4.46Å; F730-K740 HydrophobicContact CE1-CG 4.42Å; F730-K740 HydrophobicContact CE2-CD 4.38Å; F730-K740 HydrophobicContact CE2-CG 4.07Å; F730-K740 HydrophobicContact CZ-CG 4.06Å
731	A	87.9	Confident	94.4	Very high	98 Å²	98	52.7 Å²	52.7	81%	0.81	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-25.5	178.3	0	0	0	0	0	113.1	H729	H729-A731 PolarHBondContact O-N 3.33Å; H729-A731 VanDerWaalsContact O-N 3.08Å
732	T	88.4	Confident	94.3	Very high	124 Å²	124	53.3 Å²	53.3	76%	0.761	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-9.1	-173	50.1	0	0	0	0	113.9	H729 F730	H729-T732 PolarHBondContact O-N 3.11Å; H729-T732 PolarHBondContact O-OG1 3.29Å; F730-T732 PolarHBondContact O-N 2.91Å
733	D	90.6	Very high	94.3	Very high	60 Å²	60	52.6 Å²	52.6	32%	0.321	30%	0.3	S	S	.	.			trans	-92.2	117.4	-177.4	-179.2	11.3	0	0	0	112.2	H729 A735 A736	H729-D733 PolarHBondContact O-N 3.3Å; D733-A735 PolarHBondContact O-N 3.15Å; D733-A735 VanDerWaalsContact O-N 3.17Å; D733-A735 WeakPolarHBondContact OD1-CB 3.4Å; D733-A735 PolarHBondContact OD1-N 3.29Å; D733-A736 HydrophobicContact CB-CB 4.27Å; D733-A736 VanDerWaalsContact O-CB 3.23Å; D733-A736 WeakPolarHBondContact O-CB 3.43Å; D733-A736 PolarHBondContact O-N 2.7Å; D733-A736 VanDerWaalsContact O-N 3.09Å
734	P	89.1	Confident	94.4	Very high	116 Å²	116	52.9 Å²	52.9	75%	0.753	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19	174.2	26.7	-35.4	0	0	0	113.8
735	A	93.3	Very high	94.4	Very high	8 Å²	8	54.8 Å²	54.8	7%	0.066	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	1.5	176.4	0	0	0	0	0	114	P495 D733 N737 L738 T739	P495-A735 HydrophobicContact CB-CB 4.2Å; P495-A735 HydrophobicContact CG-CB 4.2Å; D733-A735 PolarHBondContact O-N 3.15Å; D733-A735 VanDerWaalsContact O-N 3.17Å; D733-A735 WeakPolarHBondContact OD1-CB 3.4Å; D733-A735 PolarHBondContact OD1-N 3.29Å; A735-N737 PolarHBondContact O-N 3.04Å; A735-N737 VanDerWaalsContact O-N 3.08Å; A735-L738 WeakPolarHBondContact O-CB 3.45Å; A735-L738 PolarHBondContact O-N 3.32Å; A735-T739 PolarHBondContact O-N 2.88Å
736	A	93.1	Very high	94.5	Very high	7 Å²	7	52.1 Å²	52.1	6%	0.058	30%	0.298	C	S	.	.	H	α-helix	trans	-51	-40.7	-174.6	0	0	0	0	0	113.9	F730 D733 L738 T739 K740	F730-A736 HydrophobicContact CB-CB 3.9Å; F730-A736 HydrophobicContact CD1-CB 3.71Å; F730-A736 HydrophobicContact CG-CB 4.12Å; F730-A736 WeakPolarHBondContact O-CB 3.27Å; D733-A736 HydrophobicContact CB-CB 4.27Å; D733-A736 VanDerWaalsContact O-CB 3.23Å; D733-A736 WeakPolarHBondContact O-CB 3.43Å; D733-A736 PolarHBondContact O-N 2.7Å; D733-A736 VanDerWaalsContact O-N 3.09Å; A736-L738 VanDerWaalsContact C-N 3.35Å; A736-L738 PolarHBondContact O-N 3.15Å; A736-T739 PolarHBondContact O-N 3.3Å; A736-K740 WeakPolarHBondContact O-CG 3.47Å; A736-K740 PolarHBondContact O-N 2.84Å
737	N	94.9	Very high	94.6	Very high	98 Å²	98	49.4 Å²	49.4	52%	0.524	29%	0.285	S	S	.	.	H	α-helix	trans	-65.4	-37.1	178.9	-72.8	-28.3	0	0	0	112.5	A735 K740 I741	A735-N737 PolarHBondContact O-N 3.04Å; A735-N737 VanDerWaalsContact O-N 3.08Å; N737-K740 PolarHBondContact O-N 3.47Å; N737-I741 WeakPolarHBondContact O-CB 3.38Å; N737-I741 WeakPolarHBondContact O-CG1 3.17Å; N737-I741 PolarHBondContact O-N 2.87Å
738	L	94.4	Very high	94.7	Very high	32 Å²	32	47.6 Å²	47.6	17%	0.168	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-48.6	176.6	174	66.9	0	0	0	110.4	P495 F499 A735 A736 K740 I741 V742	P495-L738 HydrophobicContact CG-CB 3.89Å; P495-L738 HydrophobicContact CG-CD2 3.59Å; P495-L738 HydrophobicContact CG-CG 4.34Å; F499-L738 HydrophobicContact CB-CD2 3.89Å; F499-L738 HydrophobicContact CD2-CD1 3.79Å; F499-L738 HydrophobicContact CD2-CD2 3.51Å; F499-L738 HydrophobicContact CD2-CG 4.3Å; F499-L738 HydrophobicContact CE2-CD1 3.68Å; F499-L738 HydrophobicContact CE2-CD2 4.28Å; F499-L738 HydrophobicContact CG-CD2 3.87Å; F499-L738 HydrophobicContact CZ-CD1 4.39Å; A735-L738 WeakPolarHBondContact O-CB 3.45Å; A735-L738 PolarHBondContact O-N 3.32Å; A736-L738 VanDerWaalsContact C-N 3.35Å; A736-L738 PolarHBondContact O-N 3.15Å; L738-K740 VanDerWaalsContact C-N 3.29Å; L738-K740 PolarHBondContact O-N 2.95Å; L738-I741 PolarHBondContact O-N 3.38Å; L738-I741 VanDerWaalsContact O-N 3.12Å; L738-V742 HydrophobicContact CD1-CG2 3.82Å; L738-V742 HydrophobicContact CG-CG2 4.31Å; L738-V742 VanDerWaalsContact O-CG2 3.3Å; L738-V742 WeakPolarHBondContact O-CG2 3.16Å; L738-V742 PolarHBondContact O-N 3.05Å
739	T	94.5	Very high	94.8	Very high	23 Å²	23	45.2 Å²	45.2	14%	0.141	26%	0.26	C	S	.	.	H	α-helix	trans	-55.1	-46.1	177	-53.2	0	0	0	0	110.8	F730 A735 A736 A743 L853	F730-T739 HydrophobicContact CE1-CG2 4.02Å; F730-T739 HydrophobicContact CZ-CG2 4.45Å; A735-T739 PolarHBondContact O-N 2.88Å; A736-T739 PolarHBondContact O-N 3.3Å; T739-A743 VanDerWaalsContact O-CB 3.3Å; T739-A743 WeakPolarHBondContact O-CB 3.34Å; T739-A743 PolarHBondContact O-N 2.99Å; T739-L853 HydrophobicContact CG2-CD1 3.61Å; T739-L853 WeakPolarHBondContact O-CD1 3.48Å
740	K	96.6	Very high	95	Very high	12 Å²	12	40.8 Å²	40.8	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-49.7	174.1	-72.3	178.4	66.7	178.4	0	112.5	Y723 F730 A736 N737 L738 V742 A743 Y744 Y796 M797	Y723-K740 HydrophobicContact CE2-CG 4.27Å; F730-K740 HydrophobicContact CD2-CD 4.31Å; F730-K740 HydrophobicContact CD2-CG 4.46Å; F730-K740 HydrophobicContact CE1-CG 4.42Å; F730-K740 HydrophobicContact CE2-CD 4.38Å; F730-K740 HydrophobicContact CE2-CG 4.07Å; F730-K740 HydrophobicContact CZ-CG 4.06Å; A736-K740 WeakPolarHBondContact O-CG 3.47Å; A736-K740 PolarHBondContact O-N 2.84Å; N737-K740 PolarHBondContact O-N 3.47Å; L738-K740 VanDerWaalsContact C-N 3.29Å; L738-K740 PolarHBondContact O-N 2.95Å; K740-V742 VanDerWaalsContact C-N 3.32Å; K740-V742 PolarHBondContact O-N 3.18Å; K740-A743 PolarHBondContact O-N 3.41Å; K740-Y744 WeakPolarHBondContact O-CB 3.33Å; K740-Y744 PolarHBondContact O-N 3.47Å; K740-Y796 HydrophobicContact CB-CE1 3.7Å; K740-Y796 WeakPolarHBondContact CE-O 3.36Å; K740-Y796 HydrophobicContact CG-CE1 4.37Å; K740-Y796 PolarHBondContact NZ-O 3.14Å; K740-Y796 WeakPolarHBondContact O-CE1 3.25Å; K740-M797 HydrophobicContact CB-CE 3.72Å; K740-M797 HydrophobicContact CB-SD 4.26Å
741	I	96.8	Very high	95.3	Very high	69 Å²	69	39.3 Å²	39.3	35%	0.354	23%	0.234	S	C	.	.	H	α-helix	trans	-57	-49.7	-178.5	-73.1	166	0	0	0	109.7	N737 L738 Y744 L745 M797	N737-I741 WeakPolarHBondContact O-CB 3.38Å; N737-I741 WeakPolarHBondContact O-CG1 3.17Å; N737-I741 PolarHBondContact O-N 2.87Å; L738-I741 PolarHBondContact O-N 3.38Å; L738-I741 VanDerWaalsContact O-N 3.12Å; I741-Y744 PolarHBondContact O-N 2.97Å; I741-L745 HydrophobicContact CG2-CD1 3.93Å; I741-L745 HydrophobicContact CG2-CG 4.47Å; I741-L745 WeakPolarHBondContact O-CG 3.3Å; I741-L745 PolarHBondContact O-N 3.2Å; I741-M797 HydrophobicContact CB-CE 4.08Å; I741-M797 HydrophobicContact CD1-CE 4.45Å; I741-M797 HydrophobicContact CG1-CE 3.28Å; I741-M797 HydrophobicContact CG1-SD 4.26Å
742	V	97	Very high	95.7	Very high	12 Å²	12	35.2 Å²	35.2	7%	0.073	20%	0.198	C	C	.	.	H	α-helix	trans	-67.9	-41.3	-175.7	179.4	0	0	0	0	111	L738 K740 Y744 L745 G746 A849 F852 L853	L738-V742 HydrophobicContact CD1-CG2 3.82Å; L738-V742 HydrophobicContact CG-CG2 4.31Å; L738-V742 VanDerWaalsContact O-CG2 3.3Å; L738-V742 WeakPolarHBondContact O-CG2 3.16Å; L738-V742 PolarHBondContact O-N 3.05Å; K740-V742 VanDerWaalsContact C-N 3.32Å; K740-V742 PolarHBondContact O-N 3.18Å; V742-Y744 PolarHBondContact O-N 3Å; V742-L745 PolarHBondContact O-N 2.96Å; V742-G746 PolarHBondContact O-N 3.24Å; V742-A849 HydrophobicContact CG1-CB 4.13Å; V742-A849 WeakPolarHBondContact CG1-O 3.42Å; V742-F852 HydrophobicContact CG1-CB 3.75Å; V742-F852 HydrophobicContact CG2-CB 4.12Å; V742-L853 HydrophobicContact CG1-CB 3.9Å
743	A	97.9	Very high	96.2	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-45.7	174.3	0	0	0	0	0	111.7	C719 T739 K740 L745 G746 T747 L853	C719-A743 HydrophobicContact CB-CB 4.3Å; C719-A743 WeakPolarHBondContact CB-O 3.46Å; T739-A743 VanDerWaalsContact O-CB 3.3Å; T739-A743 WeakPolarHBondContact O-CB 3.34Å; T739-A743 PolarHBondContact O-N 2.99Å; K740-A743 PolarHBondContact O-N 3.41Å; A743-L745 PolarHBondContact O-N 3.46Å; A743-G746 PolarHBondContact O-N 3.09Å; A743-T747 WeakPolarHBondContact O-CB 3.43Å; A743-T747 PolarHBondContact O-N 2.81Å; A743-T747 PolarHBondContact O-OG1 3Å; A743-L853 HydrophobicContact CB-CD1 3.98Å; A743-L853 HydrophobicContact CB-CD2 4.42Å
744	Y	98.5	Very high	96.6	Very high	9 Å²	9	29.6 Å²	29.6	4%	0.035	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-43.4	178.7	-169.8	-81.1	0	0	0	112.3	K740 I741 V742 Y748 S789 G792 M793 Y796 L809 V812	K740-Y744 WeakPolarHBondContact O-CB 3.33Å; K740-Y744 PolarHBondContact O-N 3.47Å; I741-Y744 PolarHBondContact O-N 2.97Å; V742-Y744 PolarHBondContact O-N 3Å; Y744-Y748 WeakPolarHBondContact O-CB 3.29Å; Y744-Y748 PolarHBondContact O-N 2.98Å; Y744-S789 WeakPolarHBondContact CE1-O 3.42Å; Y744-S789 PolarHBondContact OH-O 3.22Å; Y744-G792 VanDerWaalsContact OH-C 3.25Å; Y744-G792 WeakPolarHBondContact OH-CA 3.18Å; Y744-M793 HydrophobicContact CD1-CE 3.25Å; Y744-M793 HydrophobicContact CD1-SD 3.82Å; Y744-M793 HydrophobicContact CD2-SD 4.16Å; Y744-M793 HydrophobicContact CE1-CB 4.33Å; Y744-M793 HydrophobicContact CE1-CE 3.93Å; Y744-M793 HydrophobicContact CE1-SD 4.34Å; Y744-M793 HydrophobicContact CG-CE 3.65Å; Y744-M793 HydrophobicContact CG-SD 3.7Å; Y744-M793 PolarHBondContact OH-N 3.45Å; Y744-Y796 AromaticContact CD2-CD1 3.6Å; Y744-Y796 HydrophobicContact CD2-CD1 3.6Å; Y744-Y796 HydrophobicContact CD2-CD2 4.44Å; Y744-Y796 AromaticContact CD2-CE1 3.94Å; Y744-Y796 HydrophobicContact CD2-CE1 3.94Å; Y744-Y796 AromaticContact CD2-CG 3.89Å; Y744-Y796 HydrophobicContact CD2-CG 3.89Å; Y744-Y796 HydrophobicContact CE2-CD1 4.35Å; Y744-Y796 HydrophobicContact CE2-CG 4.3Å; Y744-Y796 HydrophobicContact CG-CD1 4.19Å; Y744-Y796 HydrophobicContact CG-CE1 4.32Å; Y744-L809 HydrophobicContact CD2-CD2 4.17Å; Y744-V812 HydrophobicContact CD1-CG2 4.26Å; Y744-V812 HydrophobicContact CD2-CG1 4.02Å; Y744-V812 HydrophobicContact CE1-CB 4.12Å; Y744-V812 HydrophobicContact CE1-CG1 4.38Å; Y744-V812 HydrophobicContact CE1-CG2 3.58Å; Y744-V812 HydrophobicContact CE2-CB 3.81Å; Y744-V812 HydrophobicContact CE2-CG1 3.78Å; Y744-V812 HydrophobicContact CE2-CG2 4.22Å; Y744-V812 HydrophobicContact CG-CG1 4.41Å
745	L	98	Very high	97	Very high	82 Å²	82	24.4 Å²	24.4	43%	0.429	13%	0.127	S	C	.	.	H	α-helix	trans	-66.7	-42.9	176.7	-68.1	176.3	0	0	0	111.9	I741 V742 A743 Y748 I749 M793	I741-L745 HydrophobicContact CG2-CD1 3.93Å; I741-L745 HydrophobicContact CG2-CG 4.47Å; I741-L745 WeakPolarHBondContact O-CG 3.3Å; I741-L745 PolarHBondContact O-N 3.2Å; V742-L745 PolarHBondContact O-N 2.96Å; A743-L745 PolarHBondContact O-N 3.46Å; L745-Y748 PolarHBondContact O-N 3.39Å; L745-I749 VanDerWaalsContact O-CG1 3.28Å; L745-I749 WeakPolarHBondContact O-CG1 3.42Å; L745-I749 PolarHBondContact O-N 2.94Å; L745-M793 HydrophobicContact CD2-CE 4.39Å; L745-M793 HydrophobicContact CG-CE 4.4Å
746	G	97.8	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.9	-43.9	175.8	0	0	0	0	0	112.2	V742 A743 Y748 G750	V742-G746 PolarHBondContact O-N 3.24Å; A743-G746 PolarHBondContact O-N 3.09Å; G746-Y748 PolarHBondContact O-N 3.05Å; G746-G750 PolarHBondContact O-N 3.48Å
747	T	98.6	Very high	97.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.7	-43	173.2	-61.3	0	0	0	0	112.1	V716 C719 A743 G751 V812	V716-T747 HydrophobicContact CG1-CG2 4.29Å; V716-T747 HydrophobicContact CG2-CG2 4.46Å; V716-T747 WeakPolarHBondContact CG2-O 3.38Å; C719-T747 WeakPolarHBondContact CB-OG1 3.49Å; A743-T747 WeakPolarHBondContact O-CB 3.43Å; A743-T747 PolarHBondContact O-N 2.81Å; A743-T747 PolarHBondContact O-OG1 3Å; T747-G751 PolarHBondContact O-N 2.96Å; T747-V812 HydrophobicContact CG2-CG1 3.9Å
748	Y	98.6	Very high	97.5	Very high	33 Å²	33	22.6 Å²	22.6	13%	0.129	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-49.2	178.9	178	-101.7	0	0	0	112.4	Y744 L745 G746 G751 I752 M786 S789 V812 S816 M819	Y744-Y748 WeakPolarHBondContact O-CB 3.29Å; Y744-Y748 PolarHBondContact O-N 2.98Å; L745-Y748 PolarHBondContact O-N 3.39Å; G746-Y748 PolarHBondContact O-N 3.05Å; Y748-G751 PolarHBondContact O-N 3.47Å; Y748-I752 HydrophobicContact CD1-CD1 4.02Å; Y748-I752 HydrophobicContact CE1-CD1 3.5Å; Y748-I752 VanDerWaalsContact CE1-CD1 3.5Å; Y748-I752 HydrophobicContact CE2-CD1 4.19Å; Y748-I752 WeakPolarHBondContact O-CG1 3.42Å; Y748-I752 PolarHBondContact O-N 3.24Å; Y748-M786 PolarHBondContact OH-SD 3.29Å; Y748-S789 VanDerWaalsContact CE2-CB 3.47Å; Y748-V812 HydrophobicContact CD2-CG2 3.69Å; Y748-V812 HydrophobicContact CG-CG2 4.24Å; Y748-S816 VanDerWaalsContact O-CB 3.22Å; Y748-S816 WeakPolarHBondContact O-CB 3.32Å; Y748-M819 HydrophobicContact CE2-CE 4.29Å; Y748-M819 WeakPolarHBondContact OH-CE 3.34Å; Y748-M819 PolarHBondContact OH-SD 3.41Å
749	I	98.2	Very high	97.7	Very high	39 Å²	39	21.8 Å²	21.8	20%	0.2	11%	0.111	C	C	.	.	H	α-helix	trans	-64.2	-44.3	179.6	-63.4	166.5	0	0	0	110.1	L745 G751 I752 T753 Y842 W845 A846	L745-I749 VanDerWaalsContact O-CG1 3.28Å; L745-I749 WeakPolarHBondContact O-CG1 3.42Å; L745-I749 PolarHBondContact O-N 2.94Å; I749-G751 PolarHBondContact O-N 3.3Å; I749-I752 PolarHBondContact O-N 2.96Å; I749-T753 WeakPolarHBondContact O-CB 3.41Å; I749-T753 PolarHBondContact O-N 3.01Å; I749-T753 PolarHBondContact O-OG1 2.75Å; I749-Y842 VanDerWaalsContact CG2-O 3.26Å; I749-Y842 WeakPolarHBondContact CG2-O 3.39Å; I749-W845 HydrophobicContact CD1-CB 4.45Å; I749-A846 HydrophobicContact CG2-CB 4.01Å
750	G	97.9	Very high	97.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62	-40.8	177.8	0	0	0	0	0	112.7	G712 G746 T753 F754	G712-G750 CarbonylContact C-O 3.49Å; G712-G750 WeakPolarHBondContact CA-O 3.44Å; G712-G750 CarbonylContact O-C 3.35Å; G712-G750 VanDerWaalsContact O-CA 3.31Å; G712-G750 WeakPolarHBondContact O-CA 3.25Å; G746-G750 PolarHBondContact O-N 3.48Å; G750-T753 PolarHBondContact O-N 3.09Å; G750-F754 WeakPolarHBondContact O-CB 3.49Å; G750-F754 PolarHBondContact O-N 2.93Å
751	G	98.3	Very high	97.7	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-64.2	-43.8	177.7	0	0	0	0	0	113.7	T747 Y748 I749 T753 S755	T747-G751 PolarHBondContact O-N 2.96Å; Y748-G751 PolarHBondContact O-N 3.47Å; I749-G751 PolarHBondContact O-N 3.3Å; G751-T753 VanDerWaalsContact C-N 3.35Å; G751-S755 PolarHBondContact O-N 3.13Å; G751-S755 PolarHBondContact O-OG 2.94Å
752	I	98	Very high	97.7	Very high	11 Å²	11	20.8 Å²	20.8	6%	0.056	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-46.1	173	-63.8	167.6	0	0	0	110.2	Y748 I749 F754 G756 M819 L839 Y842	Y748-I752 HydrophobicContact CD1-CD1 4.02Å; Y748-I752 HydrophobicContact CE1-CD1 3.5Å; Y748-I752 VanDerWaalsContact CE1-CD1 3.5Å; Y748-I752 HydrophobicContact CE2-CD1 4.19Å; Y748-I752 WeakPolarHBondContact O-CG1 3.42Å; Y748-I752 PolarHBondContact O-N 3.24Å; I749-I752 PolarHBondContact O-N 2.96Å; I752-F754 PolarHBondContact O-N 3.4Å; I752-G756 WeakPolarHBondContact O-CA 2.85Å; I752-G756 PolarHBondContact O-N 3.01Å; I752-M819 HydrophobicContact CD1-CE 3.25Å; I752-M819 HydrophobicContact CG1-CE 3.75Å; I752-L839 HydrophobicContact CG2-CD2 4.39Å; I752-Y842 HydrophobicContact CG2-CD2 4.04Å; I752-Y842 HydrophobicContact CG2-CE2 3.98Å
753	T	98.1	Very high	97.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-44.4	-177	-54.9	0	0	0	0	111.1	H708 I749 G750 G751 S757 Y842	H708-T753 HydrophobicContact CB-CG2 4.42Å; I749-T753 WeakPolarHBondContact O-CB 3.41Å; I749-T753 PolarHBondContact O-N 3.01Å; I749-T753 PolarHBondContact O-OG1 2.75Å; G750-T753 PolarHBondContact O-N 3.09Å; G751-T753 VanDerWaalsContact C-N 3.35Å; T753-S757 WeakPolarHBondContact O-CB 3.31Å; T753-S757 PolarHBondContact O-N 3.09Å; T753-S757 VanDerWaalsContact O-N 3.12Å; T753-S757 PolarHBondContact O-OG 3.07Å; T753-Y842 VanDerWaalsContact OG1-CB 3.27Å; T753-Y842 WeakPolarHBondContact OG1-CB 3.13Å
754	F	98.4	Very high	97.2	Very high	66 Å²	66	21.3 Å²	21.3	29%	0.289	10%	0.104	S	C	.	.	H	α-helix	trans	-58.4	-59.4	176.9	172.8	-113.1	0	0	0	111.8	S709 L713 G750 I752 L758	S709-F754 WeakPolarHBondContact O-CD2 3.27Å; L713-F754 HydrophobicContact CB-CD2 3.82Å; L713-F754 HydrophobicContact CB-CE2 4.22Å; L713-F754 HydrophobicContact CB-CG 4.42Å; L713-F754 HydrophobicContact CD2-CE2 4.14Å; G750-F754 WeakPolarHBondContact O-CB 3.49Å; G750-F754 PolarHBondContact O-N 2.93Å; I752-F754 PolarHBondContact O-N 3.4Å; F754-L758 HydrophobicContact CD1-CD1 4.48Å; F754-L758 HydrophobicContact CD2-CD1 4.21Å; F754-L758 HydrophobicContact CE1-CD1 3.95Å; F754-L758 HydrophobicContact CE2-CD1 3.66Å; F754-L758 HydrophobicContact CE2-CG 4.4Å; F754-L758 HydrophobicContact CZ-CD1 3.52Å; F754-L758 WeakPolarHBondContact O-CG 3.49Å; F754-L758 PolarHBondContact O-N 2.81Å
755	S	98.3	Very high	96.9	Very high	8 Å²	8	25 Å²	25	6%	0.056	12%	0.121	C	C	.	.	H	α-helix	trans	-75	-38	-171.7	72.7	0	0	0	0	112.9	G751 S757 L758 V759 A817 G820 V821	G751-S755 PolarHBondContact O-N 3.13Å; G751-S755 PolarHBondContact O-OG 2.94Å; S755-S757 VanDerWaalsContact C-N 3.33Å; S755-S757 PolarHBondContact O-N 3.4Å; S755-L758 PolarHBondContact O-N 3.48Å; S755-V759 WeakPolarHBondContact O-CG2 3.28Å; S755-V759 PolarHBondContact O-N 3.5Å; S755-V759 VanDerWaalsContact O-N 3.09Å; S755-A817 WeakPolarHBondContact CB-O 3.24Å; S755-A817 WeakPolarHBondContact OG-CA 3.34Å; S755-A817 PolarHBondContact OG-O 3.42Å; S755-G820 WeakPolarHBondContact OG-CA 3.26Å; S755-V821 PolarHBondContact OG-N 2.84Å
756	G	97.3	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-44.2	175.9	0	0	0	0	0	111.3	I752 L758 V759 A760 T824 L839	I752-G756 WeakPolarHBondContact O-CA 2.85Å; I752-G756 PolarHBondContact O-N 3.01Å; G756-L758 VanDerWaalsContact C-N 3.33Å; G756-L758 PolarHBondContact O-N 3.49Å; G756-V759 PolarHBondContact O-N 3.43Å; G756-A760 PolarHBondContact O-N 3.3Å; G756-T824 VanDerWaalsContact CA-OG1 3.32Å; G756-T824 WeakPolarHBondContact CA-OG1 3.33Å; G756-T824 WeakPolarHBondContact O-CG2 3.3Å; G756-L839 VanDerWaalsContact C-CD1 3.49Å
757	S	97.4	Very high	96.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-69.6	-31.9	-179.3	-53	0	0	0	0	112.3	A705 H708 T753 S755 A760 Y761 L839	A705-S757 WeakPolarHBondContact O-CB 3.42Å; H708-S757 WeakPolarHBondContact CB-OG 3.18Å; T753-S757 WeakPolarHBondContact O-CB 3.31Å; T753-S757 PolarHBondContact O-N 3.09Å; T753-S757 VanDerWaalsContact O-N 3.12Å; T753-S757 PolarHBondContact O-OG 3.07Å; S755-S757 VanDerWaalsContact C-N 3.33Å; S755-S757 PolarHBondContact O-N 3.4Å; S757-A760 PolarHBondContact O-N 2.94Å; S757-Y761 WeakPolarHBondContact O-CB 3.4Å; S757-Y761 PolarHBondContact O-N 3.42Å; S757-L839 WeakPolarHBondContact OG-CD1 3.43Å
758	L	97.8	Very high	96.2	Very high	74 Å²	74	33.1 Å²	33.1	39%	0.387	18%	0.178	S	C	.	.	H	α-helix	trans	-66	-38.8	171.9	-74.2	178.1	0	0	0	112.7	F754 S755 G756 G762	F754-L758 HydrophobicContact CD1-CD1 4.48Å; F754-L758 HydrophobicContact CD2-CD1 4.21Å; F754-L758 HydrophobicContact CE1-CD1 3.95Å; F754-L758 HydrophobicContact CE2-CD1 3.66Å; F754-L758 HydrophobicContact CE2-CG 4.4Å; F754-L758 HydrophobicContact CZ-CD1 3.52Å; F754-L758 WeakPolarHBondContact O-CG 3.49Å; F754-L758 PolarHBondContact O-N 2.81Å; S755-L758 PolarHBondContact O-N 3.48Å; G756-L758 VanDerWaalsContact C-N 3.33Å; G756-L758 PolarHBondContact O-N 3.49Å; L758-G762 PolarHBondContact O-N 2.7Å
759	V	97.3	Very high	95.8	Very high	14 Å²	14	37.4 Å²	37.4	9%	0.085	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-41.4	174.3	176.9	0	0	0	0	110.8	S755 G756 G762 K763 L768 V821 T824 A825	S755-V759 WeakPolarHBondContact O-CG2 3.28Å; S755-V759 PolarHBondContact O-N 3.5Å; S755-V759 VanDerWaalsContact O-N 3.09Å; G756-V759 PolarHBondContact O-N 3.43Å; V759-G762 PolarHBondContact O-N 2.97Å; V759-K763 HydrophobicContact CG1-CD 4.43Å; V759-K763 PolarHBondContact O-N 2.97Å; V759-L768 HydrophobicContact CG1-CD1 4.09Å; V759-V821 HydrophobicContact CG2-CB 4.29Å; V759-V821 HydrophobicContact CG2-CG1 4.16Å; V759-V821 HydrophobicContact CG2-CG2 4Å; V759-T824 HydrophobicContact CB-CG2 3.92Å; V759-T824 HydrophobicContact CG1-CG2 3.84Å; V759-A825 HydrophobicContact CG1-CB 4.3Å
760	A	95.7	Very high	95.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-48.3	174.8	0	0	0	0	0	111.4	A705 G756 S757 G762 K763 L764 T824 M832	A705-A760 HydrophobicContact CB-CB 4.29Å; G756-A760 PolarHBondContact O-N 3.3Å; S757-A760 PolarHBondContact O-N 2.94Å; A760-G762 PolarHBondContact O-N 3.45Å; A760-K763 PolarHBondContact O-N 3.18Å; A760-L764 WeakPolarHBondContact O-CB 3.45Å; A760-L764 VanDerWaalsContact O-CG 3.28Å; A760-L764 WeakPolarHBondContact O-CG 3.4Å; A760-L764 PolarHBondContact O-N 3.31Å; A760-T824 HydrophobicContact CB-CG2 4.31Å; A760-M832 HydrophobicContact CB-CG 4.32Å; A760-M832 HydrophobicContact CB-SD 3.57Å; A760-M832 VanDerWaalsContact CB-SD 3.57Å
761	Y	96.3	Very high	94.6	Very high	78 Å²	78	41.1 Å²	41.1	31%	0.306	24%	0.235	S	C	.	.	H	α-helix	trans	-53.6	-51.4	171.8	169	-97	0	0	0	111.5	Q702 A706 S757 K763 L764 Q765 I767	Q702-Y761 HydrophobicContact CB-CD2 3.83Å; Q702-Y761 HydrophobicContact CB-CE2 4Å; Q702-Y761 WeakPolarHBondContact O-CD2 3.27Å; A706-Y761 HydrophobicContact CB-CD2 4.29Å; S757-Y761 WeakPolarHBondContact O-CB 3.4Å; S757-Y761 PolarHBondContact O-N 3.42Å; Y761-K763 VanDerWaalsContact C-N 3.32Å; Y761-K763 PolarHBondContact O-N 3.27Å; Y761-L764 PolarHBondContact O-N 3.42Å; Y761-Q765 WeakPolarHBondContact O-CB 3.29Å; Y761-Q765 PolarHBondContact O-N 2.98Å; Y761-I767 HydrophobicContact CE1-CD1 3.98Å
762	G	96	Very high	94.1	Very high	5 Å²	5	44.1 Å²	44.1	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-39.9	-178.9	0	0	0	0	0	113.3	L758 V759 A760 G766 I767 L768	L758-G762 PolarHBondContact O-N 2.7Å; V759-G762 PolarHBondContact O-N 2.97Å; A760-G762 PolarHBondContact O-N 3.45Å; G762-G766 PolarHBondContact O-N 3.49Å; G762-I767 PolarHBondContact O-N 2.98Å; G762-L768 PolarHBondContact O-N 2.91Å
763	K	93.6	Very high	93.7	Very high	15 Å²	15	48.6 Å²	48.6	7%	0.065	28%	0.278	C	S	.	.	H	α-helix	trans	-71.4	-43.3	177	-78	-179.4	176.2	-110.1	0	112.5	V759 A760 Y761 G766 L768 A771 A825 I827 M832	V759-K763 HydrophobicContact CG1-CD 4.43Å; V759-K763 PolarHBondContact O-N 2.97Å; A760-K763 PolarHBondContact O-N 3.18Å; Y761-K763 VanDerWaalsContact C-N 3.32Å; Y761-K763 PolarHBondContact O-N 3.27Å; K763-G766 PolarHBondContact O-N 2.78Å; K763-L768 HydrophobicContact CG-CB 3.88Å; K763-L768 HydrophobicContact CG-CD1 4.39Å; K763-A771 PolarHBondContact NZ-O 3.26Å; K763-A825 WeakPolarHBondContact CE-O 3.18Å; K763-A825 PolarHBondContact NZ-O 3.37Å; K763-I827 PolarHBondContact NZ-O 2.85Å; K763-M832 HydrophobicContact CB-CE 4.15Å; K763-M832 HydrophobicContact CD-CE 3.35Å; K763-M832 HydrophobicContact CG-CE 4.38Å
764	L	91.5	Very high	93.1	Very high	9 Å²	9	53.2 Å²	53.2	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-68.6	-36.6	-179.6	-67.6	164.4	0	0	0	112.1	P701 Q702 A760 Y761 G766 M832 I836 R969	P701-L764 HydrophobicContact CB-CD1 4.16Å; Q702-L764 HydrophobicContact CG-CB 3.63Å; A760-L764 WeakPolarHBondContact O-CB 3.45Å; A760-L764 VanDerWaalsContact O-CG 3.28Å; A760-L764 WeakPolarHBondContact O-CG 3.4Å; A760-L764 PolarHBondContact O-N 3.31Å; Y761-L764 PolarHBondContact O-N 3.42Å; L764-G766 PolarHBondContact O-N 3.27Å; L764-M832 HydrophobicContact CD1-CG 4.04Å; L764-M832 HydrophobicContact CD2-CB 4.1Å; L764-M832 HydrophobicContact CD2-CG 3.84Å; L764-M832 HydrophobicContact CG-CG 3.8Å; L764-I836 HydrophobicContact CD1-CD1 3.54Å; L764-I836 HydrophobicContact CD1-CG1 4.26Å; L764-R969 PolarHBondContact O-NH1 2.92Å
765	Q	92.8	Very high	92.7	Very high	86 Å²	86	53.7 Å²	53.7	40%	0.402	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-13.3	176.1	-164.8	60.3	18.9	0	0	113	Q702 Y761 I767	Q702-Q765 HydrophobicContact CG-CB 4.34Å; Q702-Q765 VanDerWaalsContact NE2-OE1 3.1Å; Y761-Q765 WeakPolarHBondContact O-CB 3.29Å; Y761-Q765 PolarHBondContact O-N 2.98Å; Q765-I767 VanDerWaalsContact C-N 3.31Å; Q765-I767 HydrophobicContact CB-CD1 4.11Å; Q765-I767 HydrophobicContact CB-CG1 4.1Å; Q765-I767 HydrophobicContact CG-CD1 3.85Å; Q765-I767 HydrophobicContact CG-CG1 3.96Å
766	G	90.4	Very high	92.4	Very high	60 Å²	60	59.5 Å²	59.5	62%	0.619	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	14.8	-176	0	0	0	0	0	114.4	G762 K763 L764	G762-G766 PolarHBondContact O-N 3.49Å; K763-G766 PolarHBondContact O-N 2.78Å; L764-G766 PolarHBondContact O-N 3.27Å
767	I	94.7	Very high	92.1	Very high	115 Å²	115	62.1 Å²	62.1	59%	0.59	37%	0.371	S	S	*	.	S	Bend	trans	-72.3	-38.2	171.6	-60.4	170	0	0	0	109.7	Y761 G762 Q765	Y761-I767 HydrophobicContact CE1-CD1 3.98Å; G762-I767 PolarHBondContact O-N 2.98Å; Q765-I767 VanDerWaalsContact C-N 3.31Å; Q765-I767 HydrophobicContact CB-CD1 4.11Å; Q765-I767 HydrophobicContact CB-CG1 4.1Å; Q765-I767 HydrophobicContact CG-CD1 3.85Å; Q765-I767 HydrophobicContact CG-CG1 3.96Å
768	L	93.9	Very high	91.8	Very high	79 Å²	79	64.2 Å²	64.2	41%	0.414	38%	0.378	S	S	.	.	S	Bend	trans	-104.2	152.1	173.5	-61.8	174.1	0	0	0	110.1	V759 G762 K763 S770	V759-L768 HydrophobicContact CG1-CD1 4.09Å; G762-L768 PolarHBondContact O-N 2.91Å; K763-L768 HydrophobicContact CG-CB 3.88Å; K763-L768 HydrophobicContact CG-CD1 4.39Å; L768-S770 PolarHBondContact O-N 3.28Å
769	N	90	Very high	91.5	Very high	122 Å²	122	65.3 Å²	65.3	65%	0.652	38%	0.381	S	S	*	.			trans	-63	132.8	174.7	-168	-24.7	0	0	0	110.5	A771	N769-A771 PolarHBondContact O-N 3.06Å; N769-A771 WeakPolarHBondContact OD1-CB 3.37Å; N769-A771 PolarHBondContact OD1-N 3.02Å
770	S	85.3	Confident	91.3	Very high	70 Å²	70	67.7 Å²	67.7	49%	0.49	40%	0.402	S	S	.	.	S	Bend	trans	-69.3	-17.1	178.2	57.5	0	0	0	0	113.3	L768 G828 G829	L768-S770 PolarHBondContact O-N 3.28Å; S770-G828 CarbonylContact O-C 3.6Å; S770-G829 PolarHBondContact O-N 2.75Å
771	A	85	Confident	91.3	Very high	47 Å²	47	71.1 Å²	71.1	39%	0.388	42%	0.42	S	S	.	.	S	Bend	trans	-63.2	146.7	174.3	0	0	0	0	0	111.7	K763 N769 L773	K763-A771 PolarHBondContact NZ-O 3.26Å; N769-A771 PolarHBondContact O-N 3.06Å; N769-A771 WeakPolarHBondContact OD1-CB 3.37Å; N769-A771 PolarHBondContact OD1-N 3.02Å; A771-L773 PolarHBondContact O-N 2.86Å
772	P	87.8	Confident	91.2	Very high	66 Å²	66	68.2 Å²	68.2	43%	0.429	41%	0.41	S	S	.	.			trans	-66	126.2	173.4	27.5	-33.2	0	0	0	110.4	M774 A826	P772-M774 HydrophobicContact CB-SD 4.45Å; P772-M774 PolarHBondContact O-N 3.33Å; P772-A826 WeakPolarHBondContact CB-O 3.45Å
773	L	89.7	Confident	91.1	Very high	105 Å²	105	70.9 Å²	70.9	55%	0.55	43%	0.432	S	S	.	.			trans	-83.5	105.9	176.5	-179.7	64.5	0	0	0	109.9	A771 L775 A825	A771-L773 PolarHBondContact O-N 2.86Å; L773-L775 PolarHBondContact O-N 3.27Å; L773-A825 HydrophobicContact CB-CB 4.31Å; L773-A825 HydrophobicContact CD2-CB 4.36Å; L773-A825 PolarHBondContact N-O 3.26Å
774	M	86.3	Confident	91.3	Very high	97 Å²	97	74.5 Å²	74.5	48%	0.478	46%	0.455	S	S	.	.			trans	-95.4	96.4	-175.7	-60.7	-62.5	-115.4	0	0	111.5	P772 R778	P772-M774 HydrophobicContact CB-SD 4.45Å; P772-M774 PolarHBondContact O-N 3.33Å; M774-R778 PolarHBondContact SD-NH1 3Å
775	L	89.7	Confident	91.5	Very high	75 Å²	75	74.9 Å²	74.9	39%	0.393	46%	0.457	S	S	.	.			trans	-73.2	140	173.9	-66.9	169.2	0	0	0	111.4	L773 G777 R778 L781	L773-L775 PolarHBondContact O-N 3.27Å; L775-G777 PolarHBondContact O-N 3.45Å; L775-R778 HydrophobicContact CB-CB 4.24Å; L775-R778 WeakPolarHBondContact O-CB 3.33Å; L775-R778 PolarHBondContact O-N 3.04Å; L775-L781 HydrophobicContact CD1-CD2 4.27Å
776	P	92.3	Very high	91.7	Very high	130 Å²	130	74.9 Å²	74.9	84%	0.844	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	129.2	169.9	-23	33.5	0	0	0	110.8	R778	P776-R778 VanDerWaalsContact C-N 3.3Å; P776-R778 PolarHBondContact O-N 3.5Å
777	G	90.5	Very high	92	Very high	56 Å²	56	75.1 Å²	75.1	58%	0.577	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	21.8	179.1	0	0	0	0	0	115.5	L775 H779 A780 L781	L775-G777 PolarHBondContact O-N 3.45Å; G777-H779 PolarHBondContact O-N 3.22Å; G777-A780 WeakPolarHBondContact O-CB 3.42Å; G777-A780 PolarHBondContact O-N 3.12Å; G777-L781 PolarHBondContact O-N 3.23Å; G777-L781 VanDerWaalsContact O-N 3.09Å
778	R	90.5	Very high	92.2	Very high	44 Å²	44	71.8 Å²	71.8	17%	0.166	44%	0.443	C	S	.	.	H	α-helix	trans	-48.7	-36.7	-175.2	71.5	178.1	-170.4	-100	5.7	115.3	M774 L775 P776 L781 N782 L890 G891	M774-R778 PolarHBondContact SD-NH1 3Å; L775-R778 HydrophobicContact CB-CB 4.24Å; L775-R778 WeakPolarHBondContact O-CB 3.33Å; L775-R778 PolarHBondContact O-N 3.04Å; P776-R778 VanDerWaalsContact C-N 3.3Å; P776-R778 PolarHBondContact O-N 3.5Å; R778-L781 PolarHBondContact O-N 3.42Å; R778-N782 WeakPolarHBondContact O-CB 3.36Å; R778-N782 VanDerWaalsContact O-CG 3.31Å; R778-N782 PolarHBondContact O-N 3.47Å; R778-N782 PolarHBondContact O-ND2 3.25Å; R778-L890 PolarHBondContact NE-O 3Å; R778-L890 PolarHBondContact NH2-O 3.48Å; R778-G891 PolarHBondContact NH2-O 3.07Å
779	H	91.5	Very high	92.3	Very high	98 Å²	98	68.1 Å²	68.1	45%	0.454	42%	0.424	S	S	.	.	H	α-helix	trans	-69.3	-39.7	179.9	-62.4	-63.8	0	0	0	111.7	G777 A783 L890	G777-H779 PolarHBondContact O-N 3.22Å; H779-A783 WeakPolarHBondContact O-CB 3.04Å; H779-A783 PolarHBondContact O-N 3.13Å; H779-L890 PolarHBondContact CE1-O 2.89Å
780	A	94.4	Very high	92.7	Very high	64 Å²	64	66.5 Å²	66.5	53%	0.529	42%	0.419	S	S	.	.	H	α-helix	trans	-65.6	-42.2	174.5	0	0	0	0	0	110.7	G777 A783 T784	G777-A780 WeakPolarHBondContact O-CB 3.42Å; G777-A780 PolarHBondContact O-N 3.12Å; A780-A783 PolarHBondContact O-N 3.47Å; A780-T784 WeakPolarHBondContact O-CB 3.38Å; A780-T784 PolarHBondContact O-N 2.77Å; A780-T784 PolarHBondContact O-OG1 3.38Å
781	L	94.6	Very high	93.2	Very high	72 Å²	72	65 Å²	65	38%	0.377	41%	0.414	S	S	.	.	H	α-helix	trans	-58.3	-52.7	174.8	177.5	62.8	0	0	0	111.6	L775 G777 R778 A783 T784 L785 T822	L775-L781 HydrophobicContact CD1-CD2 4.27Å; G777-L781 PolarHBondContact O-N 3.23Å; G777-L781 VanDerWaalsContact O-N 3.09Å; R778-L781 PolarHBondContact O-N 3.42Å; L781-A783 PolarHBondContact O-N 2.97Å; L781-T784 WeakPolarHBondContact O-CB 3.25Å; L781-T784 PolarHBondContact O-N 3.47Å; L781-T784 VanDerWaalsContact O-N 3.15Å; L781-L785 HydrophobicContact CD1-CD1 4.27Å; L781-L785 HydrophobicContact CD1-CG 4.31Å; L781-L785 HydrophobicContact CG-CD1 4.11Å; L781-L785 WeakPolarHBondContact O-CG 3.25Å; L781-L785 PolarHBondContact O-N 2.83Å; L781-T822 HydrophobicContact CD2-CG2 4.02Å
782	N	94.3	Very high	93.8	Very high	18 Å²	18	63.6 Å²	63.6	10%	0.096	41%	0.405	C	S	.	.	H	α-helix	trans	-64	-39.4	180	-70.3	-25.7	0	0	0	112.2	R778 T784 L785 M786 T822 L823	R778-N782 WeakPolarHBondContact O-CB 3.36Å; R778-N782 VanDerWaalsContact O-CG 3.31Å; R778-N782 PolarHBondContact O-N 3.47Å; R778-N782 PolarHBondContact O-ND2 3.25Å; N782-T784 VanDerWaalsContact C-N 3.29Å; N782-T784 PolarHBondContact O-N 2.88Å; N782-L785 PolarHBondContact O-N 2.97Å; N782-M786 WeakPolarHBondContact O-CB 3.36Å; N782-M786 PolarHBondContact O-N 2.74Å; N782-T822 WeakPolarHBondContact OD1-CB 3.38Å; N782-T822 PolarHBondContact OD1-OG1 3.13Å; N782-L823 HydrophobicContact CB-CD2 4.46Å; N782-L823 WeakPolarHBondContact ND2-CD2 3.16Å
783	A	95.2	Very high	94.2	Very high	61 Å²	61	62.2 Å²	62.2	50%	0.504	39%	0.393	S	S	.	.	H	α-helix	trans	-62.2	-38.3	174	0	0	0	0	0	111.7	H779 A780 L781 M786 A787	H779-A783 WeakPolarHBondContact O-CB 3.04Å; H779-A783 PolarHBondContact O-N 3.13Å; A780-A783 PolarHBondContact O-N 3.47Å; L781-A783 PolarHBondContact O-N 2.97Å; A783-M786 PolarHBondContact O-N 2.87Å; A783-A787 VanDerWaalsContact O-CB 3.27Å; A783-A787 WeakPolarHBondContact O-CB 3.43Å; A783-A787 PolarHBondContact O-N 3.06Å
784	T	96.6	Very high	94.6	Very high	91 Å²	91	61.2 Å²	61.2	56%	0.558	39%	0.391	S	S	*	.	H	α-helix	trans	-70.3	-43.8	178	-56.5	0	0	0	0	111.3	A780 L781 N782 M786 A787 A788	A780-T784 WeakPolarHBondContact O-CB 3.38Å; A780-T784 PolarHBondContact O-N 2.77Å; A780-T784 PolarHBondContact O-OG1 3.38Å; L781-T784 WeakPolarHBondContact O-CB 3.25Å; L781-T784 PolarHBondContact O-N 3.47Å; L781-T784 VanDerWaalsContact O-N 3.15Å; N782-T784 VanDerWaalsContact C-N 3.29Å; N782-T784 PolarHBondContact O-N 2.88Å; T784-M786 VanDerWaalsContact C-N 3.3Å; T784-M786 PolarHBondContact O-N 3Å; T784-A787 PolarHBondContact O-N 3.44Å; T784-A788 VanDerWaalsContact O-CB 3.28Å; T784-A788 WeakPolarHBondContact O-CB 3.19Å; T784-A788 PolarHBondContact O-N 2.89Å
785	L	97.1	Very high	95.1	Very high	17 Å²	17	59.5 Å²	59.5	9%	0.089	39%	0.387	C	S	.	.	H	α-helix	trans	-59.5	-43	174.5	-71.3	171.5	0	0	0	111.2	L781 N782 S789 L815 V818 M819 T822	L781-L785 HydrophobicContact CD1-CD1 4.27Å; L781-L785 HydrophobicContact CD1-CG 4.31Å; L781-L785 HydrophobicContact CG-CD1 4.11Å; L781-L785 WeakPolarHBondContact O-CG 3.25Å; L781-L785 PolarHBondContact O-N 2.83Å; N782-L785 PolarHBondContact O-N 2.97Å; L785-S789 WeakPolarHBondContact O-CB 3.33Å; L785-S789 PolarHBondContact O-N 3.4Å; L785-S789 PolarHBondContact O-OG 2.94Å; L785-L815 HydrophobicContact CD2-CD2 3.78Å; L785-V818 HydrophobicContact CD1-CG1 3.94Å; L785-V818 HydrophobicContact CD2-CG1 4.18Å; L785-M819 HydrophobicContact CB-CB 4.4Å; L785-M819 HydrophobicContact CB-CG 4.26Å; L785-M819 HydrophobicContact CB-SD 4.49Å; L785-M819 HydrophobicContact CD1-CB 4.2Å; L785-M819 HydrophobicContact CD1-CG 4.32Å; L785-T822 HydrophobicContact CD1-CG2 4.43Å
786	M	95.9	Very high	95.4	Very high	86 Å²	86	56 Å²	56	42%	0.424	37%	0.368	S	S	.	.	H	α-helix	trans	-64.4	-48.7	175.2	-177.6	58.2	-179.3	0	0	111.5	Y748 N782 A783 T784 A788 S789 V790 M819	Y748-M786 PolarHBondContact OH-SD 3.29Å; N782-M786 WeakPolarHBondContact O-CB 3.36Å; N782-M786 PolarHBondContact O-N 2.74Å; A783-M786 PolarHBondContact O-N 2.87Å; T784-M786 VanDerWaalsContact C-N 3.3Å; T784-M786 PolarHBondContact O-N 3Å; M786-A788 VanDerWaalsContact C-N 3.34Å; M786-A788 PolarHBondContact O-N 3.35Å; M786-S789 PolarHBondContact O-N 3.46Å; M786-S789 VanDerWaalsContact O-N 3.15Å; M786-V790 HydrophobicContact CE-CG2 3.61Å; M786-V790 WeakPolarHBondContact O-CG2 3.12Å; M786-V790 PolarHBondContact O-N 3.46Å; M786-V790 HydrophobicContact SD-CG2 4.11Å; M786-M819 HydrophobicContact CB-SD 4.46Å
787	A	97.4	Very high	95.6	Very high	64 Å²	64	51.9 Å²	51.9	53%	0.529	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-41.2	179	0	0	0	0	0	112.2	A783 T784 G791	A783-A787 VanDerWaalsContact O-CB 3.27Å; A783-A787 WeakPolarHBondContact O-CB 3.43Å; A783-A787 PolarHBondContact O-N 3.06Å; T784-A787 PolarHBondContact O-N 3.44Å; A787-G791 WeakPolarHBondContact O-CA 3.41Å; A787-G791 PolarHBondContact O-N 3.21Å
788	A	97.6	Very high	95.8	Very high	45 Å²	45	56 Å²	56	37%	0.372	35%	0.347	S	S	.	.	H	α-helix	trans	-65.2	-39.8	174.5	0	0	0	0	0	111.8	T784 M786 G792 L815	T784-A788 VanDerWaalsContact O-CB 3.28Å; T784-A788 WeakPolarHBondContact O-CB 3.19Å; T784-A788 PolarHBondContact O-N 2.89Å; M786-A788 VanDerWaalsContact C-N 3.34Å; M786-A788 PolarHBondContact O-N 3.35Å; A788-G792 PolarHBondContact O-N 3.03Å; A788-L815 HydrophobicContact CB-CD1 4.05Å
789	S	97.6	Very high	96	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.014	35%	0.354	C	S	.	.	H	α-helix	trans	-67.2	-41.4	177.8	-57.6	0	0	0	0	112.2	Y744 Y748 L785 M786	Y744-S789 WeakPolarHBondContact CE1-O 3.42Å; Y744-S789 PolarHBondContact OH-O 3.22Å; Y748-S789 VanDerWaalsContact CE2-CB 3.47Å; L785-S789 WeakPolarHBondContact O-CB 3.33Å; L785-S789 PolarHBondContact O-N 3.4Å; L785-S789 PolarHBondContact O-OG 2.94Å; M786-S789 PolarHBondContact O-N 3.46Å; M786-S789 VanDerWaalsContact O-N 3.15Å
790	V	97	Very high	96.1	Very high	89 Å²	89	57 Å²	57	54%	0.539	36%	0.364	S	S	.	.	H	α-helix	trans	-70.8	-46.7	175.4	173.9	0	0	0	0	110.8	M786 G792 M793	M786-V790 HydrophobicContact CE-CG2 3.61Å; M786-V790 WeakPolarHBondContact O-CG2 3.12Å; M786-V790 PolarHBondContact O-N 3.46Å; M786-V790 HydrophobicContact SD-CG2 4.11Å; V790-G792 VanDerWaalsContact C-N 3.28Å; V790-G792 PolarHBondContact O-N 2.96Å; V790-M793 VanDerWaalsContact O-CB 3.27Å; V790-M793 WeakPolarHBondContact O-CB 3.37Å; V790-M793 PolarHBondContact O-N 2.85Å
791	G	96.6	Very high	96.2	Very high	37 Å²	37	56 Å²	56	38%	0.381	35%	0.353	S	S	.	.	H	α-helix	trans	-63.6	-32.1	179.4	0	0	0	0	0	113.2	A787 M793 V794 P795	A787-G791 WeakPolarHBondContact O-CA 3.41Å; A787-G791 PolarHBondContact O-N 3.21Å; G791-M793 PolarHBondContact O-N 2.99Å; G791-M793 VanDerWaalsContact O-N 3.16Å; G791-V794 WeakPolarHBondContact O-CB 3.27Å; G791-V794 PolarHBondContact O-N 2.97Å; G791-P795 VanDerWaalsContact O-CD 3.25Å; G791-P795 WeakPolarHBondContact O-CD 3.35Å
792	G	96.8	Very high	96.3	Very high	19 Å²	19	56.4 Å²	56.4	20%	0.196	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.8	176	0	0	0	0	0	114.5	Y744 A788 V790 V794 P795 Y796	Y744-G792 VanDerWaalsContact OH-C 3.25Å; Y744-G792 WeakPolarHBondContact OH-CA 3.18Å; A788-G792 PolarHBondContact O-N 3.03Å; V790-G792 VanDerWaalsContact C-N 3.28Å; V790-G792 PolarHBondContact O-N 2.96Å; G792-V794 VanDerWaalsContact C-N 3.28Å; G792-V794 PolarHBondContact O-N 3.32Å; G792-P795 WeakPolarHBondContact O-CD 3.37Å; G792-P795 WeakPolarHBondContact O-CG 3.47Å; G792-Y796 WeakPolarHBondContact O-CB 3.5Å; G792-Y796 PolarHBondContact O-N 3.2Å
793	M	96.8	Very high	96.4	Very high	37 Å²	37	60.1 Å²	60.1	18%	0.182	37%	0.374	C	S	.	.	H	α-helix	trans	-65.5	-31.4	171.9	-171.6	71.9	84.2	0	0	112.1	Y744 L745 V790 G791 Y796 M797	Y744-M793 HydrophobicContact CD1-CE 3.25Å; Y744-M793 HydrophobicContact CD1-SD 3.82Å; Y744-M793 HydrophobicContact CD2-SD 4.16Å; Y744-M793 HydrophobicContact CE1-CB 4.33Å; Y744-M793 HydrophobicContact CE1-CE 3.93Å; Y744-M793 HydrophobicContact CE1-SD 4.34Å; Y744-M793 HydrophobicContact CG-CE 3.65Å; Y744-M793 HydrophobicContact CG-SD 3.7Å; Y744-M793 PolarHBondContact OH-N 3.45Å; L745-M793 HydrophobicContact CD2-CE 4.39Å; L745-M793 HydrophobicContact CG-CE 4.4Å; V790-M793 VanDerWaalsContact O-CB 3.27Å; V790-M793 WeakPolarHBondContact O-CB 3.37Å; V790-M793 PolarHBondContact O-N 2.85Å; G791-M793 PolarHBondContact O-N 2.99Å; G791-M793 VanDerWaalsContact O-N 3.16Å; M793-Y796 WeakPolarHBondContact O-CB 3.35Å; M793-Y796 PolarHBondContact O-N 3.14Å; M793-Y796 HydrophobicContact SD-CD1 3.86Å; M793-M797 HydrophobicContact CG-CE 4.34Å; M793-M797 HydrophobicContact CG-CG 4.08Å; M793-M797 WeakPolarHBondContact O-CB 3.49Å; M793-M797 VanDerWaalsContact O-CG 3.26Å; M793-M797 WeakPolarHBondContact O-CG 3.39Å; M793-M797 PolarHBondContact O-N 3.25Å; M793-M797 HydrophobicContact SD-CE 3.44Å; M793-M797 WeakPolarHBondContact SD-CE 3.47Å; M793-M797 HydrophobicContact SD-CG 4.28Å
794	V	97.3	Very high	96.5	Very high	84 Å²	84	58.9 Å²	58.9	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-63.2	-57.2	-177.5	178.4	0	0	0	0	112.1	G791 G792 Y796 M797 L798	G791-V794 WeakPolarHBondContact O-CB 3.27Å; G791-V794 PolarHBondContact O-N 2.97Å; G792-V794 VanDerWaalsContact C-N 3.28Å; G792-V794 PolarHBondContact O-N 3.32Å; V794-Y796 PolarHBondContact O-N 3.05Å; V794-M797 PolarHBondContact O-N 3.38Å; V794-L798 HydrophobicContact CG1-CD1 3.63Å; V794-L798 HydrophobicContact CG1-CG 4.31Å; V794-L798 WeakPolarHBondContact O-CG 3.45Å; V794-L798 PolarHBondContact O-N 2.75Å
795	P	96.9	Very high	96.5	Very high	61 Å²	61	54.6 Å²	54.6	40%	0.396	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-31.4	175.8	25.6	-34	0	0	0	112.1	G791 G792 M797 D799	G791-P795 VanDerWaalsContact O-CD 3.25Å; G791-P795 WeakPolarHBondContact O-CD 3.35Å; G792-P795 WeakPolarHBondContact O-CD 3.37Å; G792-P795 WeakPolarHBondContact O-CG 3.47Å; P795-M797 VanDerWaalsContact C-N 3.29Å; P795-M797 PolarHBondContact O-N 3.13Å; P795-D799 PolarHBondContact O-N 3.4Å
796	Y	97.3	Very high	96.5	Very high	0 Å²	0	56 Å²	56	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-34.5	175.5	-178.5	-115.7	0	0	0	112.9	Y723 K740 Y744 G792 M793 V794 C808 L809	Y723-Y796 HydrophobicContact CD2-CE2 4.29Å; Y723-Y796 WeakPolarHBondContact CD2-OH 3.35Å; Y723-Y796 AromaticContact CE2-CE2 3.79Å; Y723-Y796 HydrophobicContact CE2-CE2 3.79Å; Y723-Y796 AromaticContact CE2-CZ 3.89Å; Y723-Y796 VanDerWaalsContact CE2-OH 3.28Å; Y723-Y796 WeakPolarHBondContact CE2-OH 3.35Å; K740-Y796 HydrophobicContact CB-CE1 3.7Å; K740-Y796 WeakPolarHBondContact CE-O 3.36Å; K740-Y796 HydrophobicContact CG-CE1 4.37Å; K740-Y796 PolarHBondContact NZ-O 3.14Å; K740-Y796 WeakPolarHBondContact O-CE1 3.25Å; Y744-Y796 AromaticContact CD2-CD1 3.6Å; Y744-Y796 HydrophobicContact CD2-CD1 3.6Å; Y744-Y796 HydrophobicContact CD2-CD2 4.44Å; Y744-Y796 AromaticContact CD2-CE1 3.94Å; Y744-Y796 HydrophobicContact CD2-CE1 3.94Å; Y744-Y796 AromaticContact CD2-CG 3.89Å; Y744-Y796 HydrophobicContact CD2-CG 3.89Å; Y744-Y796 HydrophobicContact CE2-CD1 4.35Å; Y744-Y796 HydrophobicContact CE2-CG 4.3Å; Y744-Y796 HydrophobicContact CG-CD1 4.19Å; Y744-Y796 HydrophobicContact CG-CE1 4.32Å; G792-Y796 WeakPolarHBondContact O-CB 3.5Å; G792-Y796 PolarHBondContact O-N 3.2Å; M793-Y796 WeakPolarHBondContact O-CB 3.35Å; M793-Y796 PolarHBondContact O-N 3.14Å; M793-Y796 HydrophobicContact SD-CD1 3.86Å; V794-Y796 PolarHBondContact O-N 3.05Å; Y796-C808 HydrophobicContact CD2-CB 3.59Å; Y796-C808 HydrophobicContact CG-CB 4.03Å; Y796-L809 HydrophobicContact CE2-CD1 4.38Å; Y796-L809 HydrophobicContact CE2-CD2 4.27Å; Y796-L809 HydrophobicContact CE2-CG 3.9Å
797	M	95.9	Very high	96.6	Very high	44 Å²	44	55.9 Å²	55.9	22%	0.217	35%	0.345	C	S	.	.	H	α-helix	trans	-85.7	-40.7	179.8	-72.1	-63.6	159.5	0	0	113.4	K740 I741 M793 V794 P795	K740-M797 HydrophobicContact CB-CE 3.72Å; K740-M797 HydrophobicContact CB-SD 4.26Å; I741-M797 HydrophobicContact CB-CE 4.08Å; I741-M797 HydrophobicContact CD1-CE 4.45Å; I741-M797 HydrophobicContact CG1-CE 3.28Å; I741-M797 HydrophobicContact CG1-SD 4.26Å; M793-M797 HydrophobicContact CG-CE 4.34Å; M793-M797 HydrophobicContact CG-CG 4.08Å; M793-M797 WeakPolarHBondContact O-CB 3.49Å; M793-M797 VanDerWaalsContact O-CG 3.26Å; M793-M797 WeakPolarHBondContact O-CG 3.39Å; M793-M797 PolarHBondContact O-N 3.25Å; M793-M797 HydrophobicContact SD-CE 3.44Å; M793-M797 WeakPolarHBondContact SD-CE 3.47Å; M793-M797 HydrophobicContact SD-CG 4.28Å; V794-M797 PolarHBondContact O-N 3.38Å; P795-M797 VanDerWaalsContact C-N 3.29Å; P795-M797 PolarHBondContact O-N 3.13Å
798	L	95.4	Very high	96.6	Very high	143 Å²	143	53.5 Å²	53.5	75%	0.749	33%	0.325	S	S	*	.	H	α-helix	trans	-77.5	-24.3	-172	-65.7	178.5	0	0	0	113.9	V794	V794-L798 HydrophobicContact CG1-CD1 3.63Å; V794-L798 HydrophobicContact CG1-CG 4.31Å; V794-L798 WeakPolarHBondContact O-CG 3.45Å; V794-L798 PolarHBondContact O-N 2.75Å
799	D	93.9	Very high	96.6	Very high	59 Å²	59	51.4 Å²	51.4	32%	0.316	31%	0.307	S	S	.	.			trans	-103.9	122.7	179.7	-170.5	-6.8	0	0	0	111.1	P795 S801 T804	P795-D799 PolarHBondContact O-N 3.4Å; D799-S801 PolarHBondContact O-N 2.91Å; D799-S801 WeakPolarHBondContact OD1-CB 3.27Å; D799-S801 PolarHBondContact OD1-N 3.38Å; D799-T804 HydrophobicContact CB-CG2 3.84Å; D799-T804 WeakPolarHBondContact OD2-CB 3.32Å; D799-T804 WeakPolarHBondContact OD2-CG2 3.28Å; D799-T804 PolarHBondContact OD2-OG1 3.12Å
800	P	93.5	Very high	96.6	Very high	104 Å²	104	53.4 Å²	53.4	68%	0.675	33%	0.328	S	S	*	.			trans	-77.1	-5	174.9	32.4	-36.2	0	0	0	113.6	Y727	Y727-P800 WeakPolarHBondContact CE2-O 3.37Å; Y727-P800 PolarHBondContact OH-O 2.91Å
801	S	96.5	Very high	96.7	Very high	42 Å²	42	51.9 Å²	51.9	29%	0.294	32%	0.321	S	S	.	.			trans	-65.2	131.6	-177.7	177	0	0	0	0	113.9	D799 T803 T804 G805	D799-S801 PolarHBondContact O-N 2.91Å; D799-S801 WeakPolarHBondContact OD1-CB 3.27Å; D799-S801 PolarHBondContact OD1-N 3.38Å; S801-T803 VanDerWaalsContact C-N 3.29Å; S801-T803 PolarHBondContact O-N 3.02Å; S801-T803 PolarHBondContact OG-N 2.94Å; S801-T804 PolarHBondContact O-N 3.39Å; S801-G805 PolarHBondContact O-N 3.06Å
802	Y	95.7	Very high	96.8	Very high	81 Å²	81	50.2 Å²	50.2	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-53.8	-45.9	174.6	-178.4	-107.1	0	0	0	112	Y723 M724 Y727 T804 G805 M806	Y723-Y802 HydrophobicContact CE1-CD2 4.19Å; Y723-Y802 HydrophobicContact CE1-CE2 4.34Å; M724-Y802 HydrophobicContact CG-CE2 4.5Å; Y727-Y802 AromaticContact CD1-CD2 3.78Å; Y727-Y802 HydrophobicContact CD1-CD2 3.78Å; Y727-Y802 HydrophobicContact CD1-CG 4.35Å; Y727-Y802 AromaticContact CD2-CD2 3.76Å; Y727-Y802 HydrophobicContact CD2-CD2 3.76Å; Y727-Y802 HydrophobicContact CD2-CG 4.46Å; Y727-Y802 HydrophobicContact CE1-CD2 4.19Å; Y727-Y802 HydrophobicContact CE1-CG 4.33Å; Y727-Y802 HydrophobicContact CE2-CD2 4.15Å; Y727-Y802 HydrophobicContact CE2-CG 4.41Å; Y727-Y802 AromaticContact CG-CD2 3.56Å; Y727-Y802 HydrophobicContact CG-CD2 3.56Å; Y727-Y802 HydrophobicContact CG-CE2 4.38Å; Y727-Y802 HydrophobicContact CG-CG 4.44Å; Y727-Y802 VanDerWaalsContact CZ-N 3.26Å; Y727-Y802 PolarHBondContact OH-N 3.21Å; Y802-T804 PolarHBondContact O-N 3.43Å; Y802-G805 PolarHBondContact O-N 2.95Å; Y802-M806 HydrophobicContact CD1-CG 4.21Å; Y802-M806 HydrophobicContact CD2-CG 4.11Å; Y802-M806 HydrophobicContact CE1-CG 3.76Å; Y802-M806 HydrophobicContact CE2-CG 3.66Å; Y802-M806 HydrophobicContact CE2-SD 4.21Å; Y802-M806 HydrophobicContact CG-CG 4.38Å; Y802-M806 VanDerWaalsContact CZ-CG 3.47Å; Y802-M806 WeakPolarHBondContact O-CB 3.38Å; Y802-M806 WeakPolarHBondContact O-CG 3.34Å; Y802-M806 PolarHBondContact O-N 3.01Å
803	T	97.2	Very high	96.8	Very high	96 Å²	96	50.8 Å²	50.8	59%	0.589	30%	0.304	S	S	*	.	H	α-helix	trans	-64.1	-43.9	-176.2	-58.7	0	0	0	0	110.8	S801 T807	S801-T803 VanDerWaalsContact C-N 3.29Å; S801-T803 PolarHBondContact O-N 3.02Å; S801-T803 PolarHBondContact OG-N 2.94Å; T803-T807 VanDerWaalsContact O-CB 3.23Å; T803-T807 WeakPolarHBondContact O-CB 3.47Å; T803-T807 PolarHBondContact O-N 2.96Å; T803-T807 PolarHBondContact O-OG1 3.4Å
804	T	96.9	Very high	96.9	Very high	36 Å²	36	51.7 Å²	51.7	22%	0.221	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-46.7	176.8	-56.3	0	0	0	0	110.1	D799 S801 Y802 M806 T807 C808	D799-T804 HydrophobicContact CB-CG2 3.84Å; D799-T804 WeakPolarHBondContact OD2-CB 3.32Å; D799-T804 WeakPolarHBondContact OD2-CG2 3.28Å; D799-T804 PolarHBondContact OD2-OG1 3.12Å; S801-T804 PolarHBondContact O-N 3.39Å; Y802-T804 PolarHBondContact O-N 3.43Å; T804-M806 PolarHBondContact O-N 2.84Å; T804-T807 PolarHBondContact O-N 3.46Å; T804-C808 WeakPolarHBondContact O-CB 3.46Å; T804-C808 PolarHBondContact O-N 2.99Å; T804-C808 PolarHBondContact O-SG 3.1Å; T804-C808 VanDerWaalsContact O-SG 3.34Å
805	G	96.8	Very high	96.9	Very high	1 Å²	1	50 Å²	50	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-51.1	178.8	0	0	0	0	0	114.1	Y723 S801 Y802 T807 C808 L809	Y723-G805 WeakPolarHBondContact OH-CA 3.42Å; S801-G805 PolarHBondContact O-N 3.06Å; Y802-G805 PolarHBondContact O-N 2.95Å; G805-T807 VanDerWaalsContact C-N 3.34Å; G805-T807 PolarHBondContact O-N 3.15Å; G805-C808 WeakPolarHBondContact O-CB 3.4Å; G805-C808 PolarHBondContact O-N 3.33Å; G805-L809 PolarHBondContact O-N 3.12Å
806	M	97.6	Very high	97	Very high	46 Å²	46	47 Å²	47	23%	0.227	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-38	176.7	-74.6	-58.6	-61.9	0	0	112.5	V720 Y723 M724 Y802 T804 C808 L809 G810	V720-M806 HydrophobicContact CG1-CE 3.83Å; Y723-M806 HydrophobicContact CD1-CG 4.23Å; Y723-M806 HydrophobicContact CD1-SD 3.5Å; Y723-M806 WeakPolarHBondContact CD1-SD 3.49Å; Y723-M806 HydrophobicContact CE1-CG 3.98Å; Y723-M806 HydrophobicContact CE1-SD 3.88Å; M724-M806 HydrophobicContact CG-CE 4.05Å; M724-M806 HydrophobicContact CG-SD 3.79Å; M724-M806 HydrophobicContact SD-CE 4.08Å; Y802-M806 HydrophobicContact CD1-CG 4.21Å; Y802-M806 HydrophobicContact CD2-CG 4.11Å; Y802-M806 HydrophobicContact CE1-CG 3.76Å; Y802-M806 HydrophobicContact CE2-CG 3.66Å; Y802-M806 HydrophobicContact CE2-SD 4.21Å; Y802-M806 HydrophobicContact CG-CG 4.38Å; Y802-M806 VanDerWaalsContact CZ-CG 3.47Å; Y802-M806 WeakPolarHBondContact O-CB 3.38Å; Y802-M806 WeakPolarHBondContact O-CG 3.34Å; Y802-M806 PolarHBondContact O-N 3.01Å; T804-M806 PolarHBondContact O-N 2.84Å; M806-C808 VanDerWaalsContact C-N 3.34Å; M806-L809 PolarHBondContact O-N 3.46Å; M806-G810 PolarHBondContact O-N 2.67Å
807	T	97.8	Very high	97.1	Very high	83 Å²	83	48.3 Å²	48.3	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-41.6	175.8	-60.3	0	0	0	0	110.8	T803 T804 G805 G810 S811	T803-T807 VanDerWaalsContact O-CB 3.23Å; T803-T807 WeakPolarHBondContact O-CB 3.47Å; T803-T807 PolarHBondContact O-N 2.96Å; T803-T807 PolarHBondContact O-OG1 3.4Å; T804-T807 PolarHBondContact O-N 3.46Å; G805-T807 VanDerWaalsContact C-N 3.34Å; G805-T807 PolarHBondContact O-N 3.15Å; T807-G810 PolarHBondContact O-N 3.31Å; T807-S811 WeakPolarHBondContact O-CB 3.46Å; T807-S811 PolarHBondContact O-N 2.95Å; T807-S811 PolarHBondContact O-OG 2.92Å
808	C	98.1	Very high	97.2	Very high	15 Å²	15	49.7 Å²	49.7	10%	0.101	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-44.6	175	-75.3	0	0	0	0	112	Y796 T804 G805 M806 S811 V812	Y796-C808 HydrophobicContact CD2-CB 3.59Å; Y796-C808 HydrophobicContact CG-CB 4.03Å; T804-C808 WeakPolarHBondContact O-CB 3.46Å; T804-C808 PolarHBondContact O-N 2.99Å; T804-C808 PolarHBondContact O-SG 3.1Å; T804-C808 VanDerWaalsContact O-SG 3.34Å; G805-C808 WeakPolarHBondContact O-CB 3.4Å; G805-C808 PolarHBondContact O-N 3.33Å; M806-C808 VanDerWaalsContact C-N 3.34Å; C808-S811 PolarHBondContact O-N 3.36Å; C808-V812 WeakPolarHBondContact O-CG1 3.33Å; C808-V812 PolarHBondContact O-N 3.39Å
809	L	97.6	Very high	97.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-42.8	175.8	-74.4	179.2	0	0	0	112.4	Y723 Y744 Y796 G805 M806 S811 V812 S813	Y723-L809 HydrophobicContact CD1-CD1 3.82Å; Y723-L809 HydrophobicContact CD2-CD1 3.97Å; Y723-L809 HydrophobicContact CG-CD1 3.5Å; Y723-L809 VanDerWaalsContact CG-CD1 3.5Å; Y744-L809 HydrophobicContact CD2-CD2 4.17Å; Y796-L809 HydrophobicContact CE2-CD1 4.38Å; Y796-L809 HydrophobicContact CE2-CD2 4.27Å; Y796-L809 HydrophobicContact CE2-CG 3.9Å; G805-L809 PolarHBondContact O-N 3.12Å; M806-L809 PolarHBondContact O-N 3.46Å; L809-S811 VanDerWaalsContact C-N 3.35Å; L809-V812 WeakPolarHBondContact O-CG1 3.4Å; L809-S813 WeakPolarHBondContact O-CB 3.37Å; L809-S813 PolarHBondContact O-N 3.28Å
810	G	97.9	Very high	97.4	Very high	44 Å²	44	40.7 Å²	40.7	45%	0.454	26%	0.26	S	S	.	.	H	α-helix	trans	-62.8	-41.4	173.2	0	0	0	0	0	112.3	M806 T807 S813 A814	M806-G810 PolarHBondContact O-N 2.67Å; T807-G810 PolarHBondContact O-N 3.31Å; G810-S813 PolarHBondContact O-N 3.01Å; G810-A814 WeakPolarHBondContact O-CB 3.3Å; G810-A814 PolarHBondContact O-N 3.24Å
811	S	98	Very high	97.5	Very high	57 Å²	57	38.8 Å²	38.8	40%	0.399	25%	0.247	S	C	.	.	H	α-helix	trans	-66.1	-46.9	178.7	-61.3	0	0	0	0	111.7	T807 C808 L809 S813 A814 L815	T807-S811 WeakPolarHBondContact O-CB 3.46Å; T807-S811 PolarHBondContact O-N 2.95Å; T807-S811 PolarHBondContact O-OG 2.92Å; C808-S811 PolarHBondContact O-N 3.36Å; L809-S811 VanDerWaalsContact C-N 3.35Å; S811-S813 VanDerWaalsContact C-N 3.34Å; S811-S813 PolarHBondContact O-N 2.99Å; S811-A814 PolarHBondContact O-N 3.46Å; S811-L815 WeakPolarHBondContact O-CB 3.36Å; S811-L815 VanDerWaalsContact O-CG 3.25Å; S811-L815 WeakPolarHBondContact O-CG 3.49Å; S811-L815 PolarHBondContact O-N 3.46Å
812	V	98.4	Very high	97.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-35	178.5	73.6	0	0	0	0	111.5	Y744 T747 Y748 C808 L809 L815 S816	Y744-V812 HydrophobicContact CD1-CG2 4.26Å; Y744-V812 HydrophobicContact CD2-CG1 4.02Å; Y744-V812 HydrophobicContact CE1-CB 4.12Å; Y744-V812 HydrophobicContact CE1-CG1 4.38Å; Y744-V812 HydrophobicContact CE1-CG2 3.58Å; Y744-V812 HydrophobicContact CE2-CB 3.81Å; Y744-V812 HydrophobicContact CE2-CG1 3.78Å; Y744-V812 HydrophobicContact CE2-CG2 4.22Å; Y744-V812 HydrophobicContact CG-CG1 4.41Å; T747-V812 HydrophobicContact CG2-CG1 3.9Å; Y748-V812 HydrophobicContact CD2-CG2 3.69Å; Y748-V812 HydrophobicContact CG-CG2 4.24Å; C808-V812 WeakPolarHBondContact O-CG1 3.33Å; C808-V812 PolarHBondContact O-N 3.39Å; L809-V812 WeakPolarHBondContact O-CG1 3.4Å; V812-L815 PolarHBondContact O-N 3.21Å; V812-S816 WeakPolarHBondContact O-CB 3.41Å; V812-S816 PolarHBondContact O-N 3.36Å; V812-S816 PolarHBondContact O-OG 3.45Å
813	S	98.1	Very high	97.4	Very high	31 Å²	31	35.4 Å²	35.4	22%	0.217	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-44.7	171.7	-178.3	0	0	0	0	111.7	L809 G810 S811 S816 A817	L809-S813 WeakPolarHBondContact O-CB 3.37Å; L809-S813 PolarHBondContact O-N 3.28Å; G810-S813 PolarHBondContact O-N 3.01Å; S811-S813 VanDerWaalsContact C-N 3.34Å; S811-S813 PolarHBondContact O-N 2.99Å; S813-S816 WeakPolarHBondContact CA-OG 3.45Å; S813-S816 PolarHBondContact O-OG 3.43Å; S813-A817 VanDerWaalsContact O-CB 3.25Å; S813-A817 WeakPolarHBondContact O-CB 3.29Å; S813-A817 PolarHBondContact O-N 3.25Å
814	A	98.1	Very high	97.3	Very high	56 Å²	56	31.1 Å²	31.1	46%	0.463	21%	0.205	S	C	.	.	H	α-helix	trans	-66.1	-46.1	176.1	0	0	0	0	0	112.4	G810 S811 A817 V818	G810-A814 WeakPolarHBondContact O-CB 3.3Å; G810-A814 PolarHBondContact O-N 3.24Å; S811-A814 PolarHBondContact O-N 3.46Å; A814-A817 PolarHBondContact O-N 2.94Å; A814-V818 VanDerWaalsContact O-CG2 3.31Å; A814-V818 WeakPolarHBondContact O-CG2 3.38Å; A814-V818 PolarHBondContact O-N 3.02Å
815	L	98.2	Very high	97.1	Very high	48 Å²	48	30 Å²	30	25%	0.251	20%	0.2	S	C	.	.	H	α-helix	trans	-62.9	-44.7	179.2	-71.8	170.5	0	0	0	111.8	L785 A788 S811 V812 V818 M819	L785-L815 HydrophobicContact CD2-CD2 3.78Å; A788-L815 HydrophobicContact CB-CD1 4.05Å; S811-L815 WeakPolarHBondContact O-CB 3.36Å; S811-L815 VanDerWaalsContact O-CG 3.25Å; S811-L815 WeakPolarHBondContact O-CG 3.49Å; S811-L815 PolarHBondContact O-N 3.46Å; V812-L815 PolarHBondContact O-N 3.21Å; L815-V818 PolarHBondContact O-N 3.27Å; L815-M819 WeakPolarHBondContact O-CB 3.48Å; L815-M819 PolarHBondContact O-N 3.04Å
816	S	98.3	Very high	96.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-42.1	175.6	53.4	0	0	0	0	112.1	Y748 V812 S813 M819 G820	Y748-S816 VanDerWaalsContact O-CB 3.22Å; Y748-S816 WeakPolarHBondContact O-CB 3.32Å; V812-S816 WeakPolarHBondContact O-CB 3.41Å; V812-S816 PolarHBondContact O-N 3.36Å; V812-S816 PolarHBondContact O-OG 3.45Å; S813-S816 WeakPolarHBondContact CA-OG 3.45Å; S813-S816 PolarHBondContact O-OG 3.43Å; S816-M819 PolarHBondContact O-N 3.2Å; S816-G820 PolarHBondContact O-N 3.07Å
817	A	98.3	Very high	96.5	Very high	27 Å²	27	28.2 Å²	28.2	22%	0.223	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-45.6	175.1	0	0	0	0	0	111.5	S755 S813 A814 M819 G820 V821	S755-A817 WeakPolarHBondContact CB-O 3.24Å; S755-A817 WeakPolarHBondContact OG-CA 3.34Å; S755-A817 PolarHBondContact OG-O 3.42Å; S813-A817 VanDerWaalsContact O-CB 3.25Å; S813-A817 WeakPolarHBondContact O-CB 3.29Å; S813-A817 PolarHBondContact O-N 3.25Å; A814-A817 PolarHBondContact O-N 2.94Å; A817-M819 VanDerWaalsContact C-N 3.32Å; A817-M819 PolarHBondContact O-N 2.82Å; A817-G820 PolarHBondContact O-N 3.45Å; A817-V821 WeakPolarHBondContact O-CG2 3.45Å; A817-V821 PolarHBondContact O-N 3.26Å; A817-V821 VanDerWaalsContact O-N 3.12Å
818	V	98	Very high	96	Very high	72 Å²	72	24.4 Å²	24.4	44%	0.436	17%	0.169	S	C	.	.	H	α-helix	trans	-60.4	-44.3	174.7	172.2	0	0	0	0	110.5	L785 A814 L815 G820 V821 T822	L785-V818 HydrophobicContact CD1-CG1 3.94Å; L785-V818 HydrophobicContact CD2-CG1 4.18Å; A814-V818 VanDerWaalsContact O-CG2 3.31Å; A814-V818 WeakPolarHBondContact O-CG2 3.38Å; A814-V818 PolarHBondContact O-N 3.02Å; L815-V818 PolarHBondContact O-N 3.27Å; V818-G820 PolarHBondContact O-N 3.21Å; V818-V821 WeakPolarHBondContact O-CB 3.32Å; V818-V821 PolarHBondContact O-N 3.41Å; V818-T822 HydrophobicContact CG1-CG2 4.23Å; V818-T822 WeakPolarHBondContact O-CG2 3.41Å; V818-T822 PolarHBondContact O-N 3.42Å; V818-T822 PolarHBondContact O-OG1 2.99Å
819	M	96.9	Very high	95.3	Very high	13 Å²	13	24.7 Å²	24.7	6%	0.064	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-39.2	179.7	-160.7	-175	71.4	0	0	112.6	Y748 I752 L785 M786 L815 S816 A817 V821 T822 L823	Y748-M819 HydrophobicContact CE2-CE 4.29Å; Y748-M819 WeakPolarHBondContact OH-CE 3.34Å; Y748-M819 PolarHBondContact OH-SD 3.41Å; I752-M819 HydrophobicContact CD1-CE 3.25Å; I752-M819 HydrophobicContact CG1-CE 3.75Å; L785-M819 HydrophobicContact CB-CB 4.4Å; L785-M819 HydrophobicContact CB-CG 4.26Å; L785-M819 HydrophobicContact CB-SD 4.49Å; L785-M819 HydrophobicContact CD1-CB 4.2Å; L785-M819 HydrophobicContact CD1-CG 4.32Å; M786-M819 HydrophobicContact CB-SD 4.46Å; L815-M819 WeakPolarHBondContact O-CB 3.48Å; L815-M819 PolarHBondContact O-N 3.04Å; S816-M819 PolarHBondContact O-N 3.2Å; A817-M819 VanDerWaalsContact C-N 3.32Å; A817-M819 PolarHBondContact O-N 2.82Å; M819-V821 VanDerWaalsContact C-N 3.3Å; M819-V821 PolarHBondContact O-N 3.35Å; M819-T822 WeakPolarHBondContact CA-OG1 3.39Å; M819-T822 PolarHBondContact O-N 3.42Å; M819-T822 PolarHBondContact O-OG1 3.4Å; M819-T822 VanDerWaalsContact O-OG1 3.07Å; M819-L823 HydrophobicContact CE-CD1 3.98Å; M819-L823 HydrophobicContact CG-CD1 3.89Å; M819-L823 HydrophobicContact CG-CG 4.26Å; M819-L823 WeakPolarHBondContact O-CB 3.33Å; M819-L823 WeakPolarHBondContact O-CG 3.47Å; M819-L823 PolarHBondContact O-N 3.17Å; M819-L823 HydrophobicContact SD-CD1 4.35Å
820	G	96.8	Very high	94.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-37.8	174	0	0	0	0	0	112.4	S755 S816 A817 V818 T824	S755-G820 WeakPolarHBondContact OG-CA 3.26Å; S816-G820 PolarHBondContact O-N 3.07Å; A817-G820 PolarHBondContact O-N 3.45Å; V818-G820 PolarHBondContact O-N 3.21Å; G820-T824 VanDerWaalsContact O-CB 3.23Å; G820-T824 WeakPolarHBondContact O-CB 3.21Å; G820-T824 PolarHBondContact O-N 3.49Å; G820-T824 VanDerWaalsContact O-N 3.13Å; G820-T824 PolarHBondContact O-OG1 3.29Å
821	V	96.9	Very high	93.9	Very high	65 Å²	65	25 Å²	25	39%	0.394	17%	0.172	S	C	.	.	H	α-helix	trans	-66.8	-50.4	173.3	174.3	0	0	0	0	111.3	S755 V759 A817 V818 M819 L823 T824 A825	S755-V821 PolarHBondContact OG-N 2.84Å; V759-V821 HydrophobicContact CG2-CB 4.29Å; V759-V821 HydrophobicContact CG2-CG1 4.16Å; V759-V821 HydrophobicContact CG2-CG2 4Å; A817-V821 WeakPolarHBondContact O-CG2 3.45Å; A817-V821 PolarHBondContact O-N 3.26Å; A817-V821 VanDerWaalsContact O-N 3.12Å; V818-V821 WeakPolarHBondContact O-CB 3.32Å; V818-V821 PolarHBondContact O-N 3.41Å; M819-V821 VanDerWaalsContact C-N 3.3Å; M819-V821 PolarHBondContact O-N 3.35Å; V821-L823 PolarHBondContact O-N 2.97Å; V821-T824 PolarHBondContact O-N 3.32Å; V821-A825 WeakPolarHBondContact O-CB 3.45Å; V821-A825 PolarHBondContact O-N 3.37Å
822	T	94.9	Very high	93.5	Very high	19 Å²	19	22.3 Å²	22.3	12%	0.117	15%	0.153	C	C	.	.	H	α-helix	trans	-65.7	-40.1	-174.8	56	0	0	0	0	112.4	L781 N782 L785 V818 M819	L781-T822 HydrophobicContact CD2-CG2 4.02Å; N782-T822 WeakPolarHBondContact OD1-CB 3.38Å; N782-T822 PolarHBondContact OD1-OG1 3.13Å; L785-T822 HydrophobicContact CD1-CG2 4.43Å; V818-T822 HydrophobicContact CG1-CG2 4.23Å; V818-T822 WeakPolarHBondContact O-CG2 3.41Å; V818-T822 PolarHBondContact O-N 3.42Å; V818-T822 PolarHBondContact O-OG1 2.99Å; M819-T822 WeakPolarHBondContact CA-OG1 3.39Å; M819-T822 PolarHBondContact O-N 3.42Å; M819-T822 PolarHBondContact O-OG1 3.4Å; M819-T822 VanDerWaalsContact O-OG1 3.07Å
823	L	94.1	Very high	93.2	Very high	32 Å²	32	22.5 Å²	22.5	17%	0.168	15%	0.154	C	C	.	.	H	α-helix	trans	-67	-50.7	176	-70.7	171.7	0	0	0	111	N782 M819 V821 A825 A826 I827 I889	N782-L823 HydrophobicContact CB-CD2 4.46Å; N782-L823 WeakPolarHBondContact ND2-CD2 3.16Å; M819-L823 HydrophobicContact CE-CD1 3.98Å; M819-L823 HydrophobicContact CG-CD1 3.89Å; M819-L823 HydrophobicContact CG-CG 4.26Å; M819-L823 WeakPolarHBondContact O-CB 3.33Å; M819-L823 WeakPolarHBondContact O-CG 3.47Å; M819-L823 PolarHBondContact O-N 3.17Å; M819-L823 HydrophobicContact SD-CD1 4.35Å; V821-L823 PolarHBondContact O-N 2.97Å; L823-A825 PolarHBondContact O-N 2.99Å; L823-A826 PolarHBondContact O-N 3.42Å; L823-I827 WeakPolarHBondContact O-CG1 3.39Å; L823-I889 HydrophobicContact CD2-CG2 4.37Å
824	T	95	Very high	92.8	Very high	6 Å²	6	21 Å²	21	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-71.9	-34.1	-174	-50.7	0	0	0	0	112.8	G756 V759 A760 G820 V821 A826 I827 M832 V835	G756-T824 VanDerWaalsContact CA-OG1 3.32Å; G756-T824 WeakPolarHBondContact CA-OG1 3.33Å; G756-T824 WeakPolarHBondContact O-CG2 3.3Å; V759-T824 HydrophobicContact CB-CG2 3.92Å; V759-T824 HydrophobicContact CG1-CG2 3.84Å; A760-T824 HydrophobicContact CB-CG2 4.31Å; G820-T824 VanDerWaalsContact O-CB 3.23Å; G820-T824 WeakPolarHBondContact O-CB 3.21Å; G820-T824 PolarHBondContact O-N 3.49Å; G820-T824 VanDerWaalsContact O-N 3.13Å; G820-T824 PolarHBondContact O-OG1 3.29Å; V821-T824 PolarHBondContact O-N 3.32Å; T824-A826 VanDerWaalsContact C-N 3.26Å; T824-A826 PolarHBondContact O-N 2.92Å; T824-I827 PolarHBondContact O-N 3.05Å; T824-M832 HydrophobicContact CG2-SD 4.26Å; T824-V835 HydrophobicContact CG2-CG1 3.86Å
825	A	93.9	Very high	92.5	Very high	14 Å²	14	18.6 Å²	18.6	12%	0.116	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-31.2	179.1	0	0	0	0	0	112.7	V759 K763 L773 V821 L823 I827	V759-A825 HydrophobicContact CG1-CB 4.3Å; K763-A825 WeakPolarHBondContact CE-O 3.18Å; K763-A825 PolarHBondContact NZ-O 3.37Å; L773-A825 HydrophobicContact CB-CB 4.31Å; L773-A825 HydrophobicContact CD2-CB 4.36Å; L773-A825 PolarHBondContact N-O 3.26Å; V821-A825 WeakPolarHBondContact O-CB 3.45Å; V821-A825 PolarHBondContact O-N 3.37Å; L823-A825 PolarHBondContact O-N 2.99Å; A825-I827 PolarHBondContact O-N 3.2Å
826	A	91.8	Very high	92.3	Very high	5 Å²	5	16.3 Å²	16.3	4%	0.041	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-5.9	178.1	0	0	0	0	0	113.7	P772 L823 T824	P772-A826 WeakPolarHBondContact CB-O 3.45Å; L823-A826 PolarHBondContact O-N 3.42Å; T824-A826 VanDerWaalsContact C-N 3.26Å; T824-A826 PolarHBondContact O-N 2.92Å
827	I	90.5	Very high	92.1	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.015	11%	0.111	C	C	.	.	S	Bend	trans	-94.8	136.8	-179.6	-57.7	171.8	0	0	0	109.8	K763 L823 T824 A825 D831 V835 I889	K763-I827 PolarHBondContact NZ-O 2.85Å; L823-I827 WeakPolarHBondContact O-CG1 3.39Å; T824-I827 PolarHBondContact O-N 3.05Å; A825-I827 PolarHBondContact O-N 3.2Å; I827-D831 HydrophobicContact CG2-CB 3.78Å; I827-V835 HydrophobicContact CB-CG2 4.12Å; I827-V835 HydrophobicContact CD1-CG2 3.31Å; I827-V835 HydrophobicContact CG1-CG2 4.27Å; I827-V835 HydrophobicContact CG2-CG2 3.68Å; I827-I889 HydrophobicContact CD1-CD1 3.84Å
828	G	86.1	Confident	92	Very high	4 Å²	4	15.7 Å²	15.7	4%	0.041	10%	0.104	C	C	.	.			trans	-72.2	154.9	178.2	0	0	0	0	0	112.5	S770 A830 D831 M832	S770-G828 CarbonylContact O-C 3.6Å; G828-A830 VanDerWaalsContact C-N 3.29Å; G828-A830 PolarHBondContact O-N 2.86Å; G828-D831 PolarHBondContact O-N 3.19Å; G828-M832 PolarHBondContact O-N 2.84Å
829	G	82.6	Confident	91.9	Very high	20 Å²	20	12.6 Å²	12.6	21%	0.206	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.4	-174.4	0	0	0	0	0	115.3	S770 M832	S770-G829 PolarHBondContact O-N 2.75Å; G829-M832 WeakPolarHBondContact O-CB 3.44Å
830	A	79.3	Confident	91.8	Very high	43 Å²	43	12 Å²	12	36%	0.355	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-17.4	177.5	0	0	0	0	0	114	G828 M832 P833 Y1050	G828-A830 VanDerWaalsContact C-N 3.29Å; G828-A830 PolarHBondContact O-N 2.86Å; A830-M832 VanDerWaalsContact C-N 3.28Å; A830-P833 WeakPolarHBondContact O-CD 3.38Å; A830-Y1050 HydrophobicContact CB-CD1 3.58Å; A830-Y1050 HydrophobicContact CB-CD2 3.17Å; A830-Y1050 HydrophobicContact CB-CE1 3.61Å; A830-Y1050 HydrophobicContact CB-CE2 3.2Å; A830-Y1050 HydrophobicContact CB-CG 3.33Å
831	D	87.1	Confident	91.8	Very high	10 Å²	10	12.3 Å²	12.3	5%	0.053	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.1	168.7	-59.3	-41.6	0	0	0	112	I827 G828 P833 V834 M881 R883 V888 Y1050	I827-D831 HydrophobicContact CG2-CB 3.78Å; G828-D831 PolarHBondContact O-N 3.19Å; D831-P833 VanDerWaalsContact C-N 3.31Å; D831-V834 WeakPolarHBondContact O-CB 3.49Å; D831-V834 PolarHBondContact O-N 2.89Å; D831-M881 WeakPolarHBondContact OD1-CE 3.42Å; D831-R883 IonicContact OD1-NH1 3.86Å; D831-R883 PolarHBondContact OD1-NH1 2.96Å; D831-R883 IonicContact OD2-CZ 3.98Å; D831-R883 IonicContact OD2-NH1 2.86Å; D831-R883 PolarHBondContact OD2-NH1 3.22Å; D831-R883 IonicContact OD2-NH2 2.75Å; D831-V888 HydrophobicContact CB-CG1 4.04Å; D831-Y1050 VanDerWaalsContact CG-OH 3.27Å; D831-Y1050 PolarHBondContact OD2-OH 3.35Å
832	M	90.9	Very high	91.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-53	-36.1	178.3	-161.4	56.3	53.7	0	0	114.9	A760 K763 L764 T824 G828 G829 A830 V834 V835 I836	A760-M832 HydrophobicContact CB-CG 4.32Å; A760-M832 HydrophobicContact CB-SD 3.57Å; A760-M832 VanDerWaalsContact CB-SD 3.57Å; K763-M832 HydrophobicContact CB-CE 4.15Å; K763-M832 HydrophobicContact CD-CE 3.35Å; K763-M832 HydrophobicContact CG-CE 4.38Å; L764-M832 HydrophobicContact CD1-CG 4.04Å; L764-M832 HydrophobicContact CD2-CB 4.1Å; L764-M832 HydrophobicContact CD2-CG 3.84Å; L764-M832 HydrophobicContact CG-CG 3.8Å; T824-M832 HydrophobicContact CG2-SD 4.26Å; G828-M832 PolarHBondContact O-N 2.84Å; G829-M832 WeakPolarHBondContact O-CB 3.44Å; A830-M832 VanDerWaalsContact C-N 3.28Å; M832-V834 PolarHBondContact O-N 2.91Å; M832-V835 WeakPolarHBondContact O-CA 3.08Å; M832-V835 WeakPolarHBondContact O-CB 3.46Å; M832-V835 PolarHBondContact O-N 3.16Å; M832-V835 HydrophobicContact SD-CB 3.98Å; M832-V835 HydrophobicContact SD-CG1 4.37Å; M832-V835 HydrophobicContact SD-CG2 4.12Å; M832-I836 WeakPolarHBondContact O-CG1 3.46Å; M832-I836 PolarHBondContact O-N 3.47Å
833	P	90.6	Very high	91.9	Very high	5 Å²	5	12.5 Å²	12.5	3%	0.032	8%	0.077	C	C	.	.	H	α-helix	trans	-58.3	-33.4	176.1	-24.9	36.3	0	0	0	113.5	A830 D831 V835 I836 T837 M877 R969	A830-P833 WeakPolarHBondContact O-CD 3.38Å; D831-P833 VanDerWaalsContact C-N 3.31Å; P833-V835 VanDerWaalsContact C-N 3.34Å; P833-I836 PolarHBondContact O-N 3.19Å; P833-T837 PolarHBondContact O-N 3.43Å; P833-T837 PolarHBondContact O-OG1 3.21Å; P833-M877 HydrophobicContact CB-CE 3.36Å; P833-M877 HydrophobicContact CB-SD 3.82Å; P833-M877 HydrophobicContact CG-CE 4.3Å; P833-R969 VanDerWaalsContact CG-C 3.5Å; P833-R969 WeakPolarHBondContact CG-O 3.35Å
834	V	91.3	Very high	92	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65	-42	173.8	-179.2	0	0	0	0	109.9	D831 M832 I836 T837 V838 M877 M881 L885 V888	D831-V834 WeakPolarHBondContact O-CB 3.49Å; D831-V834 PolarHBondContact O-N 2.89Å; M832-V834 PolarHBondContact O-N 2.91Å; V834-I836 VanDerWaalsContact C-N 3.32Å; V834-I836 PolarHBondContact O-N 3.45Å; V834-T837 PolarHBondContact O-N 3.45Å; V834-T837 PolarHBondContact O-OG1 3.49Å; V834-V838 HydrophobicContact CG1-CG2 4.36Å; V834-V838 VanDerWaalsContact O-CG2 3.29Å; V834-V838 WeakPolarHBondContact O-CG2 3.24Å; V834-V838 PolarHBondContact O-N 3.26Å; V834-M877 HydrophobicContact CG2-CB 3.96Å; V834-M877 HydrophobicContact CG2-CE 4.47Å; V834-M877 HydrophobicContact CG2-SD 4.29Å; V834-M881 HydrophobicContact CG2-SD 4.26Å; V834-L885 HydrophobicContact CG1-CD1 4.05Å; V834-V888 HydrophobicContact CB-CG1 3.99Å; V834-V888 HydrophobicContact CG1-CB 4.47Å; V834-V888 HydrophobicContact CG1-CG1 3.9Å; V834-V888 HydrophobicContact CG2-CG1 4.38Å
835	V	92.1	Very high	92.2	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.024	8%	0.081	C	C	.	.	H	α-helix	trans	-61.7	-42.3	176.8	-173.3	0	0	0	0	111.4	T824 I827 M832 P833 T837 V838 L839	T824-V835 HydrophobicContact CG2-CG1 3.86Å; I827-V835 HydrophobicContact CB-CG2 4.12Å; I827-V835 HydrophobicContact CD1-CG2 3.31Å; I827-V835 HydrophobicContact CG1-CG2 4.27Å; I827-V835 HydrophobicContact CG2-CG2 3.68Å; M832-V835 WeakPolarHBondContact O-CA 3.08Å; M832-V835 WeakPolarHBondContact O-CB 3.46Å; M832-V835 PolarHBondContact O-N 3.16Å; M832-V835 HydrophobicContact SD-CB 3.98Å; M832-V835 HydrophobicContact SD-CG1 4.37Å; M832-V835 HydrophobicContact SD-CG2 4.12Å; P833-V835 VanDerWaalsContact C-N 3.34Å; V835-T837 VanDerWaalsContact C-N 3.29Å; V835-T837 PolarHBondContact O-N 2.95Å; V835-V838 PolarHBondContact O-N 3.46Å; V835-L839 HydrophobicContact CG1-CD1 3.7Å; V835-L839 HydrophobicContact CG1-CG 4.11Å; V835-L839 WeakPolarHBondContact O-CB 3.49Å; V835-L839 VanDerWaalsContact O-CG 3.27Å; V835-L839 WeakPolarHBondContact O-CG 3.27Å; V835-L839 PolarHBondContact O-N 3.14Å
836	I	92.7	Very high	92.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-59	-42.8	178.6	-61.7	168.5	0	0	0	110.8	M529 P701 V704 H708 L764 M832 P833 V834 N840	M529-I836 HydrophobicContact CE-CG2 3.81Å; P701-I836 HydrophobicContact CB-CD1 4.29Å; V704-I836 HydrophobicContact CG1-CG2 3.59Å; H708-I836 PolarHBondContact CE1-O 3.2Å; H708-I836 VanDerWaalsContact CE1-O 3.31Å; L764-I836 HydrophobicContact CD1-CD1 3.54Å; L764-I836 HydrophobicContact CD1-CG1 4.26Å; M832-I836 WeakPolarHBondContact O-CG1 3.46Å; M832-I836 PolarHBondContact O-N 3.47Å; P833-I836 PolarHBondContact O-N 3.19Å; V834-I836 VanDerWaalsContact C-N 3.32Å; V834-I836 PolarHBondContact O-N 3.45Å; I836-N840 WeakPolarHBondContact O-CB 3.29Å; I836-N840 PolarHBondContact O-N 2.87Å
837	T	94.9	Very high	92.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-72.7	-35.9	179.8	54.1	0	0	0	0	112.6	M529 P833 V834 V835 N840 S841 G870 L873 S874 M877 P971	M529-T837 HydrophobicContact CE-CG2 4.29Å; M529-T837 HydrophobicContact SD-CG2 4.06Å; P833-T837 PolarHBondContact O-N 3.43Å; P833-T837 PolarHBondContact O-OG1 3.21Å; V834-T837 PolarHBondContact O-N 3.45Å; V834-T837 PolarHBondContact O-OG1 3.49Å; V835-T837 VanDerWaalsContact C-N 3.29Å; V835-T837 PolarHBondContact O-N 2.95Å; T837-N840 WeakPolarHBondContact O-CB 3.38Å; T837-N840 PolarHBondContact O-N 2.86Å; T837-S841 PolarHBondContact O-N 3.49Å; T837-G870 CarbonylContact O-C 3.59Å; T837-G870 WeakPolarHBondContact O-CA 3.32Å; T837-L873 HydrophobicContact CG2-CB 3.76Å; T837-S874 VanDerWaalsContact C-OG 3.22Å; T837-S874 VanDerWaalsContact CB-OG 3.25Å; T837-S874 WeakPolarHBondContact CB-OG 3.5Å; T837-S874 WeakPolarHBondContact OG1-CA 3.49Å; T837-S874 PolarHBondContact OG1-OG 3.24Å; T837-M877 HydrophobicContact CG2-SD 4.23Å; T837-P971 HydrophobicContact CG2-CG 3.85Å
838	V	95.9	Very high	92.9	Very high	14 Å²	14	13.7 Å²	13.7	9%	0.085	8%	0.075	C	C	.	.	H	α-helix	trans	-64.1	-45	173.9	172.5	0	0	0	0	110.9	V834 V835 N840 S841 Y842 S874 L885 I889	V834-V838 HydrophobicContact CG1-CG2 4.36Å; V834-V838 VanDerWaalsContact O-CG2 3.29Å; V834-V838 WeakPolarHBondContact O-CG2 3.24Å; V834-V838 PolarHBondContact O-N 3.26Å; V835-V838 PolarHBondContact O-N 3.46Å; V838-N840 VanDerWaalsContact C-N 3.31Å; V838-N840 PolarHBondContact O-N 2.96Å; V838-S841 WeakPolarHBondContact O-CA 3.35Å; V838-S841 VanDerWaalsContact O-CB 3.24Å; V838-S841 WeakPolarHBondContact O-CB 3.37Å; V838-S841 PolarHBondContact O-N 3.23Å; V838-S841 VanDerWaalsContact O-N 3.13Å; V838-Y842 HydrophobicContact CG1-CE1 4.12Å; V838-Y842 HydrophobicContact CG1-CE2 4.41Å; V838-Y842 PolarHBondContact O-N 2.94Å; V838-S874 WeakPolarHBondContact CG2-OG 3.28Å; V838-S874 PolarHBondContact N-OG 2.99Å; V838-S874 VanDerWaalsContact N-OG 3.09Å; V838-L885 HydrophobicContact CG2-CD1 3.63Å; V838-I889 HydrophobicContact CG2-CD1 4.43Å
839	L	95.8	Very high	93.5	Very high	6 Å²	6	13.9 Å²	13.9	3%	0.031	8%	0.076	C	C	.	.	H	α-helix	trans	-70.8	-29	178.3	-63.1	175.7	0	0	0	112	I752 G756 S757 V835 S841 Y842 S843	I752-L839 HydrophobicContact CG2-CD2 4.39Å; G756-L839 VanDerWaalsContact C-CD1 3.49Å; S757-L839 WeakPolarHBondContact OG-CD1 3.43Å; V835-L839 HydrophobicContact CG1-CD1 3.7Å; V835-L839 HydrophobicContact CG1-CG 4.11Å; V835-L839 WeakPolarHBondContact O-CB 3.49Å; V835-L839 VanDerWaalsContact O-CG 3.27Å; V835-L839 WeakPolarHBondContact O-CG 3.27Å; V835-L839 PolarHBondContact O-N 3.14Å; L839-S841 VanDerWaalsContact C-N 3.34Å; L839-Y842 HydrophobicContact CD2-CD2 4.08Å; L839-Y842 PolarHBondContact O-N 3.45Å; L839-S843 PolarHBondContact O-N 2.93Å
840	N	95.1	Very high	94.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.4	-45.8	167.1	-172.1	23.6	0	0	0	110.7	M529 T532 N533 I836 T837 V838 Y842 S843 G844	M529-N840 HydrophobicContact CE-CB 3.84Å; M529-N840 HydrophobicContact SD-CB 4.27Å; M529-N840 PolarHBondContact SD-ND2 3.39Å; T532-N840 PolarHBondContact OG1-ND2 3.3Å; N533-N840 PolarHBondContact OD1-OD1 3.2Å; I836-N840 WeakPolarHBondContact O-CB 3.29Å; I836-N840 PolarHBondContact O-N 2.87Å; T837-N840 WeakPolarHBondContact O-CB 3.38Å; T837-N840 PolarHBondContact O-N 2.86Å; V838-N840 VanDerWaalsContact C-N 3.31Å; V838-N840 PolarHBondContact O-N 2.96Å; N840-Y842 VanDerWaalsContact C-N 3.33Å; N840-Y842 PolarHBondContact O-N 3.21Å; N840-S843 WeakPolarHBondContact O-CB 3.41Å; N840-S843 PolarHBondContact O-N 3.03Å; N840-S843 PolarHBondContact O-OG 3.19Å; N840-G844 PolarHBondContact O-N 3.03Å
841	S	96.9	Very high	95	Very high	7 Å²	7	10.9 Å²	10.9	5%	0.049	5%	0.049	C	C	.	.	H	α-helix	trans	-58	-46	175.3	-169.9	0	0	0	0	111.5	T837 V838 L839 S843 G844 W845 G867	T837-S841 PolarHBondContact O-N 3.49Å; V838-S841 WeakPolarHBondContact O-CA 3.35Å; V838-S841 VanDerWaalsContact O-CB 3.24Å; V838-S841 WeakPolarHBondContact O-CB 3.37Å; V838-S841 PolarHBondContact O-N 3.23Å; V838-S841 VanDerWaalsContact O-N 3.13Å; L839-S841 VanDerWaalsContact C-N 3.34Å; S841-S843 VanDerWaalsContact C-N 3.3Å; S841-S843 PolarHBondContact O-N 3.45Å; S841-G844 PolarHBondContact O-N 3.25Å; S841-W845 PolarHBondContact O-N 3.37Å; S841-W845 PolarHBondContact O-NE1 3.26Å; S841-W845 PolarHBondContact OG-NE1 2.79Å; S841-G867 WeakPolarHBondContact CB-O 3.43Å; S841-G867 PolarHBondContact OG-O 2.88Å
842	Y	97.5	Very high	95.6	Very high	89 Å²	89	12.4 Å²	12.4	35%	0.349	6%	0.055	S	C	.	.	H	α-helix	trans	-62.6	-35.9	177.8	-71.7	4.5	0	0	0	112.8	I749 I752 T753 V838 L839 N840 G844 W845 A846	I749-Y842 VanDerWaalsContact CG2-O 3.26Å; I749-Y842 WeakPolarHBondContact CG2-O 3.39Å; I752-Y842 HydrophobicContact CG2-CD2 4.04Å; I752-Y842 HydrophobicContact CG2-CE2 3.98Å; T753-Y842 VanDerWaalsContact OG1-CB 3.27Å; T753-Y842 WeakPolarHBondContact OG1-CB 3.13Å; V838-Y842 HydrophobicContact CG1-CE1 4.12Å; V838-Y842 HydrophobicContact CG1-CE2 4.41Å; V838-Y842 PolarHBondContact O-N 2.94Å; L839-Y842 HydrophobicContact CD2-CD2 4.08Å; L839-Y842 PolarHBondContact O-N 3.45Å; N840-Y842 VanDerWaalsContact C-N 3.33Å; N840-Y842 PolarHBondContact O-N 3.21Å; Y842-G844 VanDerWaalsContact C-N 3.29Å; Y842-G844 PolarHBondContact O-N 2.93Å; Y842-W845 PolarHBondContact O-N 3.26Å; Y842-A846 WeakPolarHBondContact O-CB 3.49Å; Y842-A846 PolarHBondContact O-N 3.45Å
843	S	96.2	Very high	95.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.5	-41	173.1	84.9	0	0	0	0	111.5	L839 N840 S841 A846 L847	L839-S843 PolarHBondContact O-N 2.93Å; N840-S843 WeakPolarHBondContact O-CB 3.41Å; N840-S843 PolarHBondContact O-N 3.03Å; N840-S843 PolarHBondContact O-OG 3.19Å; S841-S843 VanDerWaalsContact C-N 3.3Å; S841-S843 PolarHBondContact O-N 3.45Å; S843-A846 WeakPolarHBondContact O-CB 3.34Å; S843-A846 PolarHBondContact O-N 2.89Å; S843-L847 WeakPolarHBondContact O-CD1 3.03Å; S843-L847 PolarHBondContact O-N 2.92Å
844	G	97	Very high	96.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.7	-42.2	174.2	0	0	0	0	0	113.8	N840 S841 Y842 A846 L847 C848 G863	N840-G844 PolarHBondContact O-N 3.03Å; S841-G844 PolarHBondContact O-N 3.25Å; Y842-G844 VanDerWaalsContact C-N 3.29Å; Y842-G844 PolarHBondContact O-N 2.93Å; G844-A846 VanDerWaalsContact C-N 3.29Å; G844-A846 PolarHBondContact O-N 2.72Å; G844-L847 WeakPolarHBondContact O-CB 3.2Å; G844-L847 PolarHBondContact O-N 2.78Å; G844-C848 PolarHBondContact O-N 3.4Å; G844-C848 PolarHBondContact O-SG 3.04Å; G844-C848 VanDerWaalsContact O-SG 3.4Å; G844-G863 CarbonylContact C-O 3.52Å; G844-G863 WeakPolarHBondContact CA-O 3.36Å; G844-G863 CarbonylContact O-C 3.59Å; G844-G863 WeakPolarHBondContact O-CA 3.18Å
845	W	97.9	Very high	96.4	Very high	79 Å²	79	18.8 Å²	18.8	30%	0.299	9%	0.089	S	C	.	.	H	α-helix	trans	-68.2	-29	176.3	-53	128	0	0	0	112.8	F506 I749 S841 Y842 C848 A849	F506-W845 HydrophobicContact CE2-CE3 4.15Å; F506-W845 AromaticContact CE2-CZ3 3.8Å; F506-W845 HydrophobicContact CE2-CZ3 3.8Å; F506-W845 HydrophobicContact CZ-CE3 4.5Å; F506-W845 HydrophobicContact CZ-CZ3 4.05Å; I749-W845 HydrophobicContact CD1-CB 4.45Å; S841-W845 PolarHBondContact O-N 3.37Å; S841-W845 PolarHBondContact O-NE1 3.26Å; S841-W845 PolarHBondContact OG-NE1 2.79Å; Y842-W845 PolarHBondContact O-N 3.26Å; W845-C848 WeakPolarHBondContact O-CB 3.44Å; W845-C848 PolarHBondContact O-N 3.43Å; W845-A849 PolarHBondContact O-N 3.44Å
846	A	96.8	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.7	-41.6	170.8	0	0	0	0	0	111.6	A715 I749 Y842 S843 G844 C848 A849 E850	A715-A846 HydrophobicContact CB-CB 3.84Å; I749-A846 HydrophobicContact CG2-CB 4.01Å; Y842-A846 WeakPolarHBondContact O-CB 3.49Å; Y842-A846 PolarHBondContact O-N 3.45Å; S843-A846 WeakPolarHBondContact O-CB 3.34Å; S843-A846 PolarHBondContact O-N 2.89Å; G844-A846 VanDerWaalsContact C-N 3.29Å; G844-A846 PolarHBondContact O-N 2.72Å; A846-C848 VanDerWaalsContact C-N 3.31Å; A846-C848 PolarHBondContact O-N 2.93Å; A846-A849 WeakPolarHBondContact O-CB 3.39Å; A846-A849 PolarHBondContact O-N 3.23Å; A846-E850 PolarHBondContact O-N 3.19Å
847	L	97.3	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-36.3	171.3	-89.5	75.7	0	0	0	112.2	T539 V711 S843 G844 A849 E850 G851 V862 I866	T539-L847 HydrophobicContact CG2-CD1 3.44Å; T539-L847 VanDerWaalsContact CG2-CD1 3.44Å; T539-L847 HydrophobicContact CG2-CG 3.89Å; V711-L847 HydrophobicContact CG1-CD1 3.56Å; S843-L847 WeakPolarHBondContact O-CD1 3.03Å; S843-L847 PolarHBondContact O-N 2.92Å; G844-L847 WeakPolarHBondContact O-CB 3.2Å; G844-L847 PolarHBondContact O-N 2.78Å; L847-A849 VanDerWaalsContact C-N 3.34Å; L847-E850 PolarHBondContact O-N 2.91Å; L847-G851 PolarHBondContact O-N 2.78Å; L847-V862 HydrophobicContact CD2-CG1 3.74Å; L847-I866 HydrophobicContact CD2-CD1 4.4Å
848	C	98.1	Very high	97	Very high	5 Å²	5	21 Å²	21	3%	0.034	10%	0.101	C	C	.	.	H	α-helix	trans	-61.8	-44.5	173.3	-63.8	0	0	0	0	111.1	F506 G844 W845 A846 E850 G851 F852 G863 A864	F506-C848 HydrophobicContact CD2-CB 4.43Å; F506-C848 HydrophobicContact CE2-CB 4.27Å; G844-C848 PolarHBondContact O-N 3.4Å; G844-C848 PolarHBondContact O-SG 3.04Å; G844-C848 VanDerWaalsContact O-SG 3.4Å; W845-C848 WeakPolarHBondContact O-CB 3.44Å; W845-C848 PolarHBondContact O-N 3.43Å; A846-C848 VanDerWaalsContact C-N 3.31Å; A846-C848 PolarHBondContact O-N 2.93Å; C848-E850 VanDerWaalsContact C-N 3.34Å; C848-G851 PolarHBondContact O-N 3.05Å; C848-F852 WeakPolarHBondContact O-CD2 3.46Å; C848-F852 PolarHBondContact O-N 3.24Å; C848-G863 VanDerWaalsContact SG-CA 3.56Å; C848-A864 PolarHBondContact SG-N 3.45Å
849	A	97.7	Very high	97.1	Very high	9 Å²	9	20.3 Å²	20.3	7%	0.074	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-45.3	175.6	0	0	0	0	0	110.9	V742 W845 A846 L847 G851 F852 L853	V742-A849 HydrophobicContact CG1-CB 4.13Å; V742-A849 WeakPolarHBondContact CG1-O 3.42Å; W845-A849 PolarHBondContact O-N 3.44Å; A846-A849 WeakPolarHBondContact O-CB 3.39Å; A846-A849 PolarHBondContact O-N 3.23Å; L847-A849 VanDerWaalsContact C-N 3.34Å; A849-G851 VanDerWaalsContact C-N 3.3Å; A849-G851 PolarHBondContact O-N 3.48Å; A849-F852 PolarHBondContact O-N 3.11Å; A849-L853 VanDerWaalsContact O-CB 3.23Å; A849-L853 WeakPolarHBondContact O-CB 3.5Å; A849-L853 PolarHBondContact O-N 3.33Å
850	E	97.1	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-38.1	174.8	-161.9	174.3	-164	0	0	112.3	T539 G542 T718 A846 L847 C848 L853 L854 L859	T539-E850 WeakPolarHBondContact CG2-OE2 3.5Å; G542-E850 WeakPolarHBondContact CA-OE1 3.29Å; T718-E850 VanDerWaalsContact CB-OE1 3.3Å; T718-E850 WeakPolarHBondContact CB-OE1 3.39Å; T718-E850 HydrophobicContact CG2-CG 3.85Å; T718-E850 WeakPolarHBondContact CG2-OE1 3.4Å; T718-E850 PolarHBondContact OG1-OE1 2.99Å; A846-E850 PolarHBondContact O-N 3.19Å; L847-E850 PolarHBondContact O-N 2.91Å; C848-E850 VanDerWaalsContact C-N 3.34Å; E850-L853 PolarHBondContact O-N 3.31Å; E850-L854 HydrophobicContact CG-CD1 3.95Å; E850-L854 WeakPolarHBondContact O-CB 3.33Å; E850-L854 WeakPolarHBondContact O-CG 3.36Å; E850-L854 PolarHBondContact O-N 3.4Å; E850-L859 HydrophobicContact CB-CD1 4.27Å; E850-L859 HydrophobicContact CG-CD1 3.95Å
851	G	97.4	Very high	97.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.7	-39.5	175.5	0	0	0	0	0	114.1	L847 C848 A849 L853 N855 N856	L847-G851 PolarHBondContact O-N 2.78Å; C848-G851 PolarHBondContact O-N 3.05Å; A849-G851 VanDerWaalsContact C-N 3.3Å; A849-G851 PolarHBondContact O-N 3.48Å; G851-L853 VanDerWaalsContact C-N 3.32Å; G851-N855 CarbonylContact O-C 3.5Å; G851-N855 WeakPolarHBondContact O-CA 3.37Å; G851-N855 PolarHBondContact O-N 3.24Å; G851-N855 VanDerWaalsContact O-N 3.08Å; G851-N856 PolarHBondContact O-N 3.27Å
852	F	97.7	Very high	97.4	Very high	41 Å²	41	20.7 Å²	20.7	18%	0.18	10%	0.098	C	C	.	.	H	α-helix	trans	-66.4	-36.4	171.5	-79.8	-65.8	0	0	0	111.7	F499 M502 V503 F506 V742 C848 A849 T860	F499-F852 HydrophobicContact CD2-CD1 4.31Å; F499-F852 HydrophobicContact CD2-CE1 4.47Å; F499-F852 HydrophobicContact CE2-CD1 4.29Å; F499-F852 HydrophobicContact CE2-CE1 4.28Å; M502-F852 HydrophobicContact CB-CD1 3.9Å; M502-F852 HydrophobicContact CB-CE1 3.71Å; M502-F852 HydrophobicContact CG-CD1 3.39Å; M502-F852 HydrophobicContact CG-CE1 3.4Å; M502-F852 HydrophobicContact CG-CG 4.24Å; M502-F852 HydrophobicContact CG-CZ 4.25Å; V503-F852 HydrophobicContact CG2-CE1 3.88Å; V503-F852 HydrophobicContact CG2-CZ 4.21Å; F506-F852 HydrophobicContact CB-CE2 4.43Å; F506-F852 HydrophobicContact CB-CZ 3.87Å; F506-F852 HydrophobicContact CD1-CZ 4.43Å; F506-F852 HydrophobicContact CD2-CE2 4.23Å; F506-F852 HydrophobicContact CD2-CZ 4.46Å; F506-F852 HydrophobicContact CG-CE2 4.22Å; F506-F852 HydrophobicContact CG-CZ 4.01Å; V742-F852 HydrophobicContact CG1-CB 3.75Å; V742-F852 HydrophobicContact CG2-CB 4.12Å; C848-F852 WeakPolarHBondContact O-CD2 3.46Å; C848-F852 PolarHBondContact O-N 3.24Å; A849-F852 PolarHBondContact O-N 3.11Å; F852-T860 HydrophobicContact CD2-CG2 4.49Å
853	L	96.6	Very high	97.4	Very high	11 Å²	11	16.4 Å²	16.4	6%	0.058	8%	0.081	C	C	.	.	H	α-helix	trans	-67.7	-48.7	-179.5	-175.1	65.1	0	0	0	111.2	C719 E722 T739 V742 A743 A849 E850 G851	C719-L853 HydrophobicContact CB-CD2 4.42Å; E722-L853 HydrophobicContact CB-CD2 3.85Å; E722-L853 HydrophobicContact CB-CG 4.36Å; E722-L853 HydrophobicContact CG-CD1 4.02Å; E722-L853 HydrophobicContact CG-CD2 3.93Å; E722-L853 HydrophobicContact CG-CG 3.86Å; T739-L853 HydrophobicContact CG2-CD1 3.61Å; T739-L853 WeakPolarHBondContact O-CD1 3.48Å; V742-L853 HydrophobicContact CG1-CB 3.9Å; A743-L853 HydrophobicContact CB-CD1 3.98Å; A743-L853 HydrophobicContact CB-CD2 4.42Å; A849-L853 VanDerWaalsContact O-CB 3.23Å; A849-L853 WeakPolarHBondContact O-CB 3.5Å; A849-L853 PolarHBondContact O-N 3.33Å; E850-L853 PolarHBondContact O-N 3.31Å; G851-L853 VanDerWaalsContact C-N 3.32Å
854	L	96.4	Very high	97.5	Very high	34 Å²	34	16.4 Å²	16.4	18%	0.178	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	8.2	-175.3	-59.9	177	0	0	0	113.7	L546 T718 E722 E850 N856 L859	L546-L854 HydrophobicContact CD2-CD2 4.12Å; L546-L854 HydrophobicContact CG-CD2 4.49Å; T718-L854 HydrophobicContact CG2-CD1 4.27Å; E722-L854 HydrophobicContact CG-CD2 4.47Å; E850-L854 HydrophobicContact CG-CD1 3.95Å; E850-L854 WeakPolarHBondContact O-CB 3.33Å; E850-L854 WeakPolarHBondContact O-CG 3.36Å; E850-L854 PolarHBondContact O-N 3.4Å; L854-N856 VanDerWaalsContact C-N 3.32Å; L854-N856 HydrophobicContact CB-CB 4.49Å; L854-N856 PolarHBondContact O-N 3.5Å; L854-L859 HydrophobicContact CD1-CD1 4.29Å
855	N	96.9	Very high	97.5	Very high	94 Å²	94	16.5 Å²	16.5	50%	0.503	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	48.1	-175.2	-168.7	26.2	0	0	0	113.3	M502 G851	M502-N855 WeakPolarHBondContact CE-OD1 3.3Å; G851-N855 CarbonylContact O-C 3.5Å; G851-N855 WeakPolarHBondContact O-CA 3.37Å; G851-N855 PolarHBondContact O-N 3.24Å; G851-N855 VanDerWaalsContact O-N 3.08Å
856	N	97.6	Very high	97.4	Very high	8 Å²	8	12.8 Å²	12.8	4%	0.043	7%	0.067	C	C	.	.			trans	-118.3	113.2	-173.2	-168.9	-43.7	0	0	0	112.6	V541 G851 L854 L858 L859 T860	V541-N856 WeakPolarHBondContact CG1-ND2 3.29Å; G851-N856 PolarHBondContact O-N 3.27Å; L854-N856 VanDerWaalsContact C-N 3.32Å; L854-N856 HydrophobicContact CB-CB 4.49Å; L854-N856 PolarHBondContact O-N 3.5Å; N856-L858 PolarHBondContact O-N 3.37Å; N856-L858 WeakPolarHBondContact OD1-CB 3.43Å; N856-L858 PolarHBondContact OD1-N 3.46Å; N856-L859 HydrophobicContact CB-CB 4.38Å; N856-L859 HydrophobicContact CB-CD1 4.12Å; N856-L859 HydrophobicContact CB-CG 4.23Å; N856-L859 PolarHBondContact O-N 3.26Å; N856-L859 PolarHBondContact OD1-N 3.32Å; N856-T860 PolarHBondContact O-N 2.83Å
857	N	97.3	Very high	97.5	Very high	44 Å²	44	12.8 Å²	12.8	24%	0.235	7%	0.067	C	C	.	.	H	α-helix	trans	-64.2	-33.7	-179.3	-70.1	-45.3	0	0	0	113.7	M502 Q622 T860 I861	M502-N857 PolarHBondContact SD-OD1 3.26Å; M502-N857 VanDerWaalsContact SD-OD1 3.4Å; Q622-N857 PolarHBondContact OE1-ND2 3.47Å; N857-T860 PolarHBondContact O-N 3.46Å; N857-T860 PolarHBondContact O-OG1 3.47Å; N857-I861 WeakPolarHBondContact O-CB 3.43Å; N857-I861 WeakPolarHBondContact O-CD1 3.3Å; N857-I861 WeakPolarHBondContact O-CG1 3.3Å; N857-I861 PolarHBondContact O-N 3.05Å
858	L	97.7	Very high	97.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.6	-45.5	-179.8	174.6	61.8	0	0	0	110.6	L538 Y625 G659 N856 T860 I861 V862	L538-L858 HydrophobicContact CD1-CD1 4.48Å; L538-L858 HydrophobicContact CD1-CD2 4.39Å; L538-L858 HydrophobicContact CD1-CG 4.41Å; L538-L858 HydrophobicContact CD2-CD2 4.44Å; Y625-L858 HydrophobicContact CD1-CB 3.86Å; Y625-L858 HydrophobicContact CD1-CD2 3.92Å; Y625-L858 HydrophobicContact CE1-CD2 4.39Å; Y625-L858 HydrophobicContact CG-CB 3.94Å; G659-L858 VanDerWaalsContact CA-CD2 3.49Å; N856-L858 PolarHBondContact O-N 3.37Å; N856-L858 WeakPolarHBondContact OD1-CB 3.43Å; N856-L858 PolarHBondContact OD1-N 3.46Å; L858-T860 VanDerWaalsContact C-N 3.34Å; L858-T860 PolarHBondContact O-N 2.81Å; L858-I861 PolarHBondContact O-N 3.29Å; L858-V862 HydrophobicContact CD1-CG2 3.82Å; L858-V862 HydrophobicContact CG-CG2 4.44Å; L858-V862 VanDerWaalsContact O-CB 3.3Å; L858-V862 WeakPolarHBondContact O-CB 3.5Å; L858-V862 WeakPolarHBondContact O-CG2 3.32Å; L858-V862 PolarHBondContact O-N 3.16Å
859	L	98.1	Very high	97.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.3	-38.8	-180	-69.3	-177.3	0	0	0	112	L538 V541 E850 L854 N856 G863	L538-L859 HydrophobicContact CB-CD2 4.31Å; L538-L859 WeakPolarHBondContact O-CD2 3.39Å; V541-L859 HydrophobicContact CB-CD2 4.14Å; V541-L859 HydrophobicContact CG1-CD1 4.31Å; V541-L859 HydrophobicContact CG1-CD2 4.4Å; V541-L859 HydrophobicContact CG1-CG 4.31Å; E850-L859 HydrophobicContact CB-CD1 4.27Å; E850-L859 HydrophobicContact CG-CD1 3.95Å; L854-L859 HydrophobicContact CD1-CD1 4.29Å; N856-L859 HydrophobicContact CB-CB 4.38Å; N856-L859 HydrophobicContact CB-CD1 4.12Å; N856-L859 HydrophobicContact CB-CG 4.23Å; N856-L859 PolarHBondContact O-N 3.26Å; N856-L859 PolarHBondContact OD1-N 3.32Å; L859-G863 WeakPolarHBondContact O-CA 3.35Å; L859-G863 PolarHBondContact O-N 2.98Å
860	T	97.7	Very high	97.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-72	-40.8	176.9	55.8	0	0	0	0	112.9	M502 F852 N856 N857 L858 A864	M502-T860 HydrophobicContact CG-CG2 3.71Å; M502-T860 HydrophobicContact SD-CG2 3.37Å; M502-T860 WeakPolarHBondContact SD-CG2 3.44Å; M502-T860 PolarHBondContact SD-OG1 3.38Å; F852-T860 HydrophobicContact CD2-CG2 4.49Å; N856-T860 PolarHBondContact O-N 2.83Å; N857-T860 PolarHBondContact O-N 3.46Å; N857-T860 PolarHBondContact O-OG1 3.47Å; L858-T860 VanDerWaalsContact C-N 3.34Å; L858-T860 PolarHBondContact O-N 2.81Å; T860-A864 VanDerWaalsContact O-CB 3.29Å; T860-A864 WeakPolarHBondContact O-CB 3.45Å; T860-A864 PolarHBondContact O-N 3.11Å
861	I	98.4	Very high	97	Very high	20 Å²	20	14.7 Å²	14.7	10%	0.103	8%	0.083	C	C	.	.	H	α-helix	trans	-60.6	-51.5	175.3	-68.6	164.5	0	0	0	110.3	T505 A509 N857 L858 A864 L865	T505-I861 HydrophobicContact CG2-CD1 4.01Å; T505-I861 HydrophobicContact CG2-CG1 3.65Å; A509-I861 HydrophobicContact CB-CB 4.25Å; A509-I861 HydrophobicContact CB-CG1 4.13Å; A509-I861 HydrophobicContact CB-CG2 4.27Å; N857-I861 WeakPolarHBondContact O-CB 3.43Å; N857-I861 WeakPolarHBondContact O-CD1 3.3Å; N857-I861 WeakPolarHBondContact O-CG1 3.3Å; N857-I861 PolarHBondContact O-N 3.05Å; L858-I861 PolarHBondContact O-N 3.29Å; I861-A864 PolarHBondContact O-N 3.49Å; I861-L865 WeakPolarHBondContact O-CB 3.14Å; I861-L865 PolarHBondContact O-N 3.02Å; I861-L865 VanDerWaalsContact O-N 3.09Å
862	V	98	Very high	96.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.6	-44	-179.1	165.4	0	0	0	0	111.3	I535 L538 C632 L847 L858 A864 L865 I866	I535-V862 HydrophobicContact CG2-CB 4.42Å; I535-V862 HydrophobicContact CG2-CG1 3.46Å; I535-V862 VanDerWaalsContact CG2-CG1 3.46Å; I535-V862 HydrophobicContact CG2-CG2 4.1Å; L538-V862 HydrophobicContact CD1-CB 4.41Å; L538-V862 HydrophobicContact CD1-CG1 4.16Å; L538-V862 HydrophobicContact CD1-CG2 3.78Å; C632-V862 HydrophobicContact CB-CG2 4.15Å; L847-V862 HydrophobicContact CD2-CG1 3.74Å; L858-V862 HydrophobicContact CD1-CG2 3.82Å; L858-V862 HydrophobicContact CG-CG2 4.44Å; L858-V862 VanDerWaalsContact O-CB 3.3Å; L858-V862 WeakPolarHBondContact O-CB 3.5Å; L858-V862 WeakPolarHBondContact O-CG2 3.32Å; L858-V862 PolarHBondContact O-N 3.16Å; V862-A864 VanDerWaalsContact C-N 3.35Å; V862-A864 PolarHBondContact O-N 3.06Å; V862-L865 WeakPolarHBondContact O-CB 3.34Å; V862-L865 PolarHBondContact O-N 3.27Å; V862-I866 HydrophobicContact CG1-CD1 3.57Å; V862-I866 HydrophobicContact CG1-CG1 4.42Å; V862-I866 VanDerWaalsContact O-CG1 3.31Å; V862-I866 WeakPolarHBondContact O-CG1 3.14Å; V862-I866 PolarHBondContact O-N 2.62Å
863	G	97.8	Very high	96.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.3	-44	178.3	0	0	0	0	0	112.1	G844 C848 L859 L865 I866 G867	G844-G863 CarbonylContact C-O 3.52Å; G844-G863 WeakPolarHBondContact CA-O 3.36Å; G844-G863 CarbonylContact O-C 3.59Å; G844-G863 WeakPolarHBondContact O-CA 3.18Å; C848-G863 VanDerWaalsContact SG-CA 3.56Å; L859-G863 WeakPolarHBondContact O-CA 3.35Å; L859-G863 PolarHBondContact O-N 2.98Å; G863-L865 VanDerWaalsContact C-N 3.34Å; G863-L865 PolarHBondContact O-N 3.37Å; G863-I866 PolarHBondContact O-N 3.44Å; G863-G867 PolarHBondContact O-N 3.3Å
864	A	97.9	Very high	96.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.7	-37.4	178.9	0	0	0	0	0	111.9	F506 A509 C848 T860 I861 V862 S868	F506-A864 HydrophobicContact CD2-CB 4.08Å; F506-A864 HydrophobicContact CE2-CB 4.24Å; A509-A864 HydrophobicContact CB-CB 3.99Å; C848-A864 PolarHBondContact SG-N 3.45Å; T860-A864 VanDerWaalsContact O-CB 3.29Å; T860-A864 WeakPolarHBondContact O-CB 3.45Å; T860-A864 PolarHBondContact O-N 3.11Å; I861-A864 PolarHBondContact O-N 3.49Å; V862-A864 VanDerWaalsContact C-N 3.35Å; V862-A864 PolarHBondContact O-N 3.06Å; A864-S868 WeakPolarHBondContact O-CB 3.17Å; A864-S868 PolarHBondContact O-N 3.19Å; A864-S868 PolarHBondContact O-OG 3.15Å
865	L	96.8	Very high	96.4	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-46.6	175.3	-176.6	63.2	0	0	0	111.9	G513 C632 V633 L636 I861 V862 G863 S868 S869	G513-L865 VanDerWaalsContact CA-CD1 3.47Å; C632-L865 HydrophobicContact CB-CD2 4.44Å; V633-L865 HydrophobicContact CG2-CD2 4.16Å; L636-L865 HydrophobicContact CD1-CD2 4.11Å; L636-L865 HydrophobicContact CD2-CD1 3.75Å; L636-L865 HydrophobicContact CD2-CD2 4.16Å; L636-L865 HydrophobicContact CD2-CG 3.74Å; I861-L865 WeakPolarHBondContact O-CB 3.14Å; I861-L865 PolarHBondContact O-N 3.02Å; I861-L865 VanDerWaalsContact O-N 3.09Å; V862-L865 WeakPolarHBondContact O-CB 3.34Å; V862-L865 PolarHBondContact O-N 3.27Å; G863-L865 VanDerWaalsContact C-N 3.34Å; G863-L865 PolarHBondContact O-N 3.37Å; L865-S868 PolarHBondContact O-OG 2.91Å; L865-S869 WeakPolarHBondContact O-CB 3.36Å; L865-S869 PolarHBondContact O-N 3.19Å
866	I	97.3	Very high	96.1	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-72.1	-41.4	179.5	-64.1	168.1	0	0	0	110.9	T532 I535 L847 V862 G863 S869 G870	T532-I866 HydrophobicContact CG2-CG1 4.27Å; T532-I866 WeakPolarHBondContact O-CD1 3.37Å; I535-I866 HydrophobicContact CB-CD1 4.37Å; I535-I866 HydrophobicContact CG2-CD1 4.28Å; L847-I866 HydrophobicContact CD2-CD1 4.4Å; V862-I866 HydrophobicContact CG1-CD1 3.57Å; V862-I866 HydrophobicContact CG1-CG1 4.42Å; V862-I866 VanDerWaalsContact O-CG1 3.31Å; V862-I866 WeakPolarHBondContact O-CG1 3.14Å; V862-I866 PolarHBondContact O-N 2.62Å; G863-I866 PolarHBondContact O-N 3.44Å; I866-S869 PolarHBondContact O-N 3.3Å; I866-G870 PolarHBondContact O-N 3.48Å
867	G	96.9	Very high	95.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.5	-49.4	177.7	0	0	0	0	0	112	S841 G863 A871	S841-G867 WeakPolarHBondContact CB-O 3.43Å; S841-G867 PolarHBondContact OG-O 2.88Å; G863-G867 PolarHBondContact O-N 3.3Å; G867-A871 WeakPolarHBondContact O-CB 3.41Å; G867-A871 PolarHBondContact O-N 3.36Å; G867-A871 VanDerWaalsContact O-N 3.13Å
868	S	95.4	Very high	95.5	Very high	12 Å²	12	13.9 Å²	13.9	8%	0.084	7%	0.072	C	C	.	.	H	α-helix	trans	-63.8	-41.5	174.9	54.9	0	0	0	0	112.2	G513 A864 L865 A871 I872	G513-S868 WeakPolarHBondContact CA-OG 3.47Å; A864-S868 WeakPolarHBondContact O-CB 3.17Å; A864-S868 PolarHBondContact O-N 3.19Å; A864-S868 PolarHBondContact O-OG 3.15Å; L865-S868 PolarHBondContact O-OG 2.91Å; S868-A871 PolarHBondContact O-N 3.48Å; S868-I872 WeakPolarHBondContact O-CG1 3.47Å; S868-I872 PolarHBondContact O-N 3.45Å
869	S	95.1	Very high	95.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.6	-49.9	176.8	-175.9	0	0	0	0	112.9	L865 I866 A871 L873	L865-S869 WeakPolarHBondContact O-CB 3.36Å; L865-S869 PolarHBondContact O-N 3.19Å; I866-S869 PolarHBondContact O-N 3.3Å; S869-A871 VanDerWaalsContact C-N 3.33Å; S869-A871 PolarHBondContact O-N 2.87Å; S869-L873 WeakPolarHBondContact O-CG 3.4Å; S869-L873 PolarHBondContact O-N 3.23Å; S869-L873 VanDerWaalsContact O-N 3.11Å
870	G	94.7	Very high	94.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.8	-42.6	178	0	0	0	0	0	111.9	T837 I866 L873 S874	T837-G870 CarbonylContact O-C 3.59Å; T837-G870 WeakPolarHBondContact O-CA 3.32Å; I866-G870 PolarHBondContact O-N 3.48Å; G870-L873 PolarHBondContact O-N 2.74Å; G870-S874 PolarHBondContact O-N 3.07Å; G870-S874 PolarHBondContact O-OG 2.65Å
871	A	94.9	Very high	94.2	Very high	43 Å²	43	18.9 Å²	18.9	36%	0.355	10%	0.102	S	C	.	.	H	α-helix	trans	-64.5	-43	-179.2	0	0	0	0	0	112.8	G867 S868 S869 S874 Y875	G867-A871 WeakPolarHBondContact O-CB 3.41Å; G867-A871 PolarHBondContact O-N 3.36Å; G867-A871 VanDerWaalsContact O-N 3.13Å; S868-A871 PolarHBondContact O-N 3.48Å; S869-A871 VanDerWaalsContact C-N 3.33Å; S869-A871 PolarHBondContact O-N 2.87Å; A871-S874 PolarHBondContact O-N 3.26Å; A871-Y875 PolarHBondContact O-N 2.9Å
872	I	94.6	Very high	93.7	Very high	12 Å²	12	19.1 Å²	19.1	6%	0.062	10%	0.103	C	C	.	.	H	α-helix	trans	-65.1	-44.9	177.4	-70.7	165.5	0	0	0	110.5	Y514 V517 W518 S868 S874 Y875 I876	Y514-I872 HydrophobicContact CD2-CD1 3.93Å; Y514-I872 HydrophobicContact CD2-CG1 4.46Å; Y514-I872 HydrophobicContact CG-CD1 4.45Å; V517-I872 HydrophobicContact CB-CD1 3.91Å; V517-I872 HydrophobicContact CG1-CB 4.06Å; V517-I872 HydrophobicContact CG1-CD1 4.05Å; V517-I872 HydrophobicContact CG1-CG2 3.95Å; W518-I872 HydrophobicContact CD2-CG2 4.1Å; W518-I872 HydrophobicContact CG-CD1 4.48Å; W518-I872 HydrophobicContact CH2-CG2 4.46Å; W518-I872 HydrophobicContact CZ2-CG2 4.03Å; S868-I872 WeakPolarHBondContact O-CG1 3.47Å; S868-I872 PolarHBondContact O-N 3.45Å; I872-S874 VanDerWaalsContact C-N 3.34Å; I872-S874 PolarHBondContact O-N 3.38Å; I872-Y875 WeakPolarHBondContact O-CB 3.42Å; I872-Y875 PolarHBondContact O-N 3.29Å; I872-Y875 VanDerWaalsContact O-N 3.12Å; I872-I876 HydrophobicContact CG2-CD1 3.78Å; I872-I876 HydrophobicContact CG2-CG1 4.32Å; I872-I876 WeakPolarHBondContact O-CG1 3.48Å; I872-I876 PolarHBondContact O-N 2.96Å
873	L	93.3	Very high	93.2	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-61.4	-43.1	176.8	-70.5	173.7	0	0	0	111.5	H525 L528 M529 T837 S869 G870 Y875 I876 M877	H525-L873 HydrophobicContact CB-CD2 4.11Å; L528-L873 HydrophobicContact CD2-CD1 4.06Å; L528-L873 HydrophobicContact CD2-CD2 4.36Å; L528-L873 HydrophobicContact CD2-CG 4.43Å; M529-L873 HydrophobicContact CG-CD1 3.75Å; M529-L873 HydrophobicContact SD-CD1 3.43Å; M529-L873 WeakPolarHBondContact SD-CD1 3.28Å; T837-L873 HydrophobicContact CG2-CB 3.76Å; S869-L873 WeakPolarHBondContact O-CG 3.4Å; S869-L873 PolarHBondContact O-N 3.23Å; S869-L873 VanDerWaalsContact O-N 3.11Å; G870-L873 PolarHBondContact O-N 2.74Å; L873-Y875 VanDerWaalsContact C-N 3.29Å; L873-Y875 PolarHBondContact O-N 3.2Å; L873-I876 PolarHBondContact O-N 3.1Å; L873-M877 VanDerWaalsContact O-CG 3.27Å; L873-M877 WeakPolarHBondContact O-CG 3.17Å; L873-M877 PolarHBondContact O-N 3.38Å
874	S	94.1	Very high	92.8	Very high	5 Å²	5	23.7 Å²	23.7	4%	0.035	13%	0.13	C	C	.	.	H	α-helix	trans	-58.5	-42	173.5	-60	0	0	0	0	112.2	T837 V838 G870 A871 I872 M877 C878	T837-S874 VanDerWaalsContact C-OG 3.22Å; T837-S874 VanDerWaalsContact CB-OG 3.25Å; T837-S874 WeakPolarHBondContact CB-OG 3.5Å; T837-S874 WeakPolarHBondContact OG1-CA 3.49Å; T837-S874 PolarHBondContact OG1-OG 3.24Å; V838-S874 WeakPolarHBondContact CG2-OG 3.28Å; V838-S874 PolarHBondContact N-OG 2.99Å; V838-S874 VanDerWaalsContact N-OG 3.09Å; G870-S874 PolarHBondContact O-N 3.07Å; G870-S874 PolarHBondContact O-OG 2.65Å; A871-S874 PolarHBondContact O-N 3.26Å; I872-S874 VanDerWaalsContact C-N 3.34Å; I872-S874 PolarHBondContact O-N 3.38Å; S874-M877 PolarHBondContact O-N 3.2Å; S874-C878 WeakPolarHBondContact O-CB 3.45Å; S874-C878 PolarHBondContact O-N 2.93Å; S874-C878 PolarHBondContact O-SG 3.36Å
875	Y	93.4	Very high	92.4	Very high	138 Å²	138	27.6 Å²	27.6	54%	0.541	15%	0.15	S	C	.	.	H	α-helix	trans	-63.4	-49.5	177.1	176.1	-99.3	0	0	0	112.1	W518 A871 I872 L873 M877 C878 V879	W518-Y875 HydrophobicContact CH2-CD1 4.1Å; W518-Y875 HydrophobicContact CH2-CE1 4.17Å; W518-Y875 HydrophobicContact CZ2-CD1 4.15Å; W518-Y875 HydrophobicContact CZ2-CE1 4.34Å; A871-Y875 PolarHBondContact O-N 2.9Å; I872-Y875 WeakPolarHBondContact O-CB 3.42Å; I872-Y875 PolarHBondContact O-N 3.29Å; I872-Y875 VanDerWaalsContact O-N 3.12Å; L873-Y875 VanDerWaalsContact C-N 3.29Å; L873-Y875 PolarHBondContact O-N 3.2Å; Y875-M877 VanDerWaalsContact C-N 3.29Å; Y875-M877 PolarHBondContact O-N 2.84Å; Y875-C878 WeakPolarHBondContact O-CB 3.36Å; Y875-C878 PolarHBondContact O-N 2.79Å; Y875-C878 VanDerWaalsContact O-N 3.15Å; Y875-V879 HydrophobicContact CD1-CG2 4.21Å; Y875-V879 HydrophobicContact CD2-CG2 4.17Å; Y875-V879 HydrophobicContact CE1-CG2 3.76Å; Y875-V879 HydrophobicContact CE2-CG2 3.71Å; Y875-V879 HydrophobicContact CG-CG2 4.41Å; Y875-V879 VanDerWaalsContact CZ-CG2 3.49Å; Y875-V879 WeakPolarHBondContact O-CG2 3.4Å; Y875-V879 PolarHBondContact O-N 3.31Å
876	I	91.2	Very high	91.9	Very high	42 Å²	42	30.4 Å²	30.4	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-56	-46	177.8	-69.4	169.1	0	0	0	110.3	W518 I872 L873 V879 A880	W518-I876 HydrophobicContact CH2-CD1 4.32Å; W518-I876 HydrophobicContact CH2-CG1 3.99Å; W518-I876 HydrophobicContact CZ3-CD1 4Å; W518-I876 HydrophobicContact CZ3-CG1 4.06Å; I872-I876 HydrophobicContact CG2-CD1 3.78Å; I872-I876 HydrophobicContact CG2-CG1 4.32Å; I872-I876 WeakPolarHBondContact O-CG1 3.48Å; I872-I876 PolarHBondContact O-N 2.96Å; L873-I876 PolarHBondContact O-N 3.1Å; I876-V879 PolarHBondContact O-N 2.88Å; I876-A880 VanDerWaalsContact O-CB 3.28Å; I876-A880 WeakPolarHBondContact O-CB 3.15Å; I876-A880 PolarHBondContact O-N 2.92Å
877	M	91.4	Very high	91.3	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.044	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-44.7	177.3	-66.3	-159.2	77.9	0	0	112.6	P833 V834 T837 L873 S874 Y875 A880 M881 V966 P971	P833-M877 HydrophobicContact CB-CE 3.36Å; P833-M877 HydrophobicContact CB-SD 3.82Å; P833-M877 HydrophobicContact CG-CE 4.3Å; V834-M877 HydrophobicContact CG2-CB 3.96Å; V834-M877 HydrophobicContact CG2-CE 4.47Å; V834-M877 HydrophobicContact CG2-SD 4.29Å; T837-M877 HydrophobicContact CG2-SD 4.23Å; L873-M877 VanDerWaalsContact O-CG 3.27Å; L873-M877 WeakPolarHBondContact O-CG 3.17Å; L873-M877 PolarHBondContact O-N 3.38Å; S874-M877 PolarHBondContact O-N 3.2Å; Y875-M877 VanDerWaalsContact C-N 3.29Å; Y875-M877 PolarHBondContact O-N 2.84Å; M877-A880 PolarHBondContact O-N 3.35Å; M877-M881 VanDerWaalsContact O-CG 3.27Å; M877-M881 WeakPolarHBondContact O-CG 3.43Å; M877-M881 PolarHBondContact O-N 3.33Å; M877-V966 HydrophobicContact CE-CG1 4.09Å; M877-P971 HydrophobicContact CE-CG 4.36Å; M877-P971 HydrophobicContact CG-CG 4.07Å; M877-P971 HydrophobicContact SD-CG 3.49Å; M877-P971 WeakPolarHBondContact SD-CG 3.39Å
878	C	91.4	Very high	90.8	Very high	7 Å²	7	31.7 Å²	31.7	5%	0.047	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-46.2	177.8	-86.5	0	0	0	0	112.2	S874 Y875 M881 N882 R883	S874-C878 WeakPolarHBondContact O-CB 3.45Å; S874-C878 PolarHBondContact O-N 2.93Å; S874-C878 PolarHBondContact O-SG 3.36Å; Y875-C878 WeakPolarHBondContact O-CB 3.36Å; Y875-C878 PolarHBondContact O-N 2.79Å; Y875-C878 VanDerWaalsContact O-N 3.15Å; C878-M881 PolarHBondContact O-N 2.95Å; C878-N882 PolarHBondContact O-N 3.2Å; C878-N882 VanDerWaalsContact O-N 3.15Å; C878-R883 CarbonylContact C-O 3.32Å; C878-R883 WeakPolarHBondContact CA-O 3.41Å; C878-R883 WeakPolarHBondContact CB-O 3.16Å; C878-R883 PolarHBondContact O-N 3.19Å
879	V	90.4	Very high	90.3	Very high	73 Å²	73	32.9 Å²	32.9	44%	0.442	19%	0.186	S	C	.	.	H	α-helix	trans	-63.5	-45.8	177.2	172	0	0	0	0	111	Y875 I876 M881 N882	Y875-V879 HydrophobicContact CD1-CG2 4.21Å; Y875-V879 HydrophobicContact CD2-CG2 4.17Å; Y875-V879 HydrophobicContact CE1-CG2 3.76Å; Y875-V879 HydrophobicContact CE2-CG2 3.71Å; Y875-V879 HydrophobicContact CG-CG2 4.41Å; Y875-V879 VanDerWaalsContact CZ-CG2 3.49Å; Y875-V879 WeakPolarHBondContact O-CG2 3.4Å; Y875-V879 PolarHBondContact O-N 3.31Å; I876-V879 PolarHBondContact O-N 2.88Å; V879-M881 PolarHBondContact O-N 2.72Å; V879-M881 VanDerWaalsContact O-N 3.11Å; V879-N882 PolarHBondContact O-N 2.89Å
880	A	88.6	Confident	89.9	Confident	8 Å²	8	36.6 Å²	36.6	7%	0.066	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-14.7	178.6	0	0	0	0	0	114.1	I876 M877 P965 V966	I876-A880 VanDerWaalsContact O-CB 3.28Å; I876-A880 WeakPolarHBondContact O-CB 3.15Å; I876-A880 PolarHBondContact O-N 2.92Å; M877-A880 PolarHBondContact O-N 3.35Å; A880-P965 HydrophobicContact CB-CB 3.88Å; A880-P965 HydrophobicContact CB-CG 4.35Å; A880-V966 HydrophobicContact CB-CG1 3.77Å
881	M	86.1	Confident	88.6	Confident	24 Å²	24	37.5 Å²	37.5	12%	0.118	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-2.8	173.6	-64.1	174.5	69.9	0	0	113.2	D831 V834 M877 C878 V879 R883 V966	D831-M881 WeakPolarHBondContact OD1-CE 3.42Å; V834-M881 HydrophobicContact CG2-SD 4.26Å; M877-M881 VanDerWaalsContact O-CG 3.27Å; M877-M881 WeakPolarHBondContact O-CG 3.43Å; M877-M881 PolarHBondContact O-N 3.33Å; C878-M881 PolarHBondContact O-N 2.95Å; V879-M881 PolarHBondContact O-N 2.72Å; V879-M881 VanDerWaalsContact O-N 3.11Å; M881-R883 VanDerWaalsContact C-N 3.27Å; M881-R883 HydrophobicContact CB-CB 4.48Å; M881-R883 HydrophobicContact CB-CG 4.43Å; M881-R883 PolarHBondContact O-N 2.87Å; M881-V966 HydrophobicContact CG-CB 4.21Å; M881-V966 HydrophobicContact CG-CG1 3.65Å; M881-V966 HydrophobicContact CG-CG2 3.97Å; M881-V966 HydrophobicContact SD-CG1 4.15Å
882	N	88.3	Confident	87.3	Confident	24 Å²	24	37 Å²	37	13%	0.128	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	42.9	-167.1	-168.6	23.6	0	0	0	114	C878 V879 T895 S896 S897 A1026 G1027 M1028	C878-N882 PolarHBondContact O-N 3.2Å; C878-N882 VanDerWaalsContact O-N 3.15Å; V879-N882 PolarHBondContact O-N 2.89Å; N882-T895 HydrophobicContact CB-CG2 4.15Å; N882-T895 WeakPolarHBondContact O-CA 3.44Å; N882-T895 VanDerWaalsContact O-CB 3.25Å; N882-T895 WeakPolarHBondContact O-CB 3.46Å; N882-S896 PolarHBondContact O-N 3.34Å; N882-S896 VanDerWaalsContact O-N 3.08Å; N882-S896 PolarHBondContact OD1-OG 2.87Å; N882-S897 WeakPolarHBondContact ND2-CB 3.28Å; N882-S897 PolarHBondContact ND2-OG 3.46Å; N882-A1026 PolarHBondContact ND2-O 3.17Å; N882-G1027 WeakPolarHBondContact ND2-CA 3.48Å; N882-M1028 HydrophobicContact CB-CB 4.43Å
883	R	88.1	Confident	85.8	Confident	33 Å²	33	46.6 Å²	46.6	13%	0.125	25%	0.251	C	S	.	.			trans	-127.8	137	177.4	-67.2	-179.1	74.3	-167.6	1.5	110.5	D831 C878 M881 N887 V888 G892 T895	D831-R883 IonicContact OD1-NH1 3.86Å; D831-R883 PolarHBondContact OD1-NH1 2.96Å; D831-R883 IonicContact OD2-CZ 3.98Å; D831-R883 IonicContact OD2-NH1 2.86Å; D831-R883 PolarHBondContact OD2-NH1 3.22Å; D831-R883 IonicContact OD2-NH2 2.75Å; C878-R883 CarbonylContact C-O 3.32Å; C878-R883 WeakPolarHBondContact CA-O 3.41Å; C878-R883 WeakPolarHBondContact CB-O 3.16Å; C878-R883 PolarHBondContact O-N 3.19Å; M881-R883 VanDerWaalsContact C-N 3.27Å; M881-R883 HydrophobicContact CB-CB 4.48Å; M881-R883 HydrophobicContact CB-CG 4.43Å; M881-R883 PolarHBondContact O-N 2.87Å; R883-N887 PolarHBondContact NH2-OD1 3.08Å; R883-V888 HydrophobicContact CB-CG2 3.99Å; R883-G892 PolarHBondContact NH2-O 2.86Å; R883-G892 VanDerWaalsContact NH2-O 3.16Å; R883-T895 HydrophobicContact CG-CG2 4.31Å
884	S	89.4	Confident	84.4	Confident	63 Å²	63	46.9 Å²	46.9	44%	0.441	25%	0.254	S	S	.	.			trans	-73.9	152.3	172.7	69.2	0	0	0	0	111.3	A886 N887 V888	S884-A886 PolarHBondContact O-N 3.29Å; S884-N887 WeakPolarHBondContact O-CB 3.47Å; S884-N887 PolarHBondContact O-N 2.87Å; S884-N887 WeakPolarHBondContact OG-CB 3.26Å; S884-N887 PolarHBondContact OG-N 3.43Å; S884-V888 PolarHBondContact O-N 2.99Å
885	L	88.1	Confident	83.4	Confident	82 Å²	82	47.3 Å²	47.3	43%	0.429	26%	0.257	S	S	.	.	H	α-helix	trans	-55.7	-40.4	176.8	-177.3	64.8	0	0	0	112.1	V834 V838 N887 V888 I889	V834-L885 HydrophobicContact CG1-CD1 4.05Å; V838-L885 HydrophobicContact CG2-CD1 3.63Å; L885-N887 VanDerWaalsContact C-N 3.34Å; L885-N887 PolarHBondContact O-N 3.37Å; L885-V888 PolarHBondContact O-N 2.89Å; L885-I889 HydrophobicContact CD1-CG1 3.98Å; L885-I889 HydrophobicContact CG-CG1 4.27Å; L885-I889 WeakPolarHBondContact O-CG1 3.12Å; L885-I889 PolarHBondContact O-N 3.39Å
886	A	87.3	Confident	82.5	Confident	60 Å²	60	44.4 Å²	44.4	50%	0.496	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-41.3	176.2	0	0	0	0	0	112.1	S884 L890	S884-A886 PolarHBondContact O-N 3.29Å; A886-L890 WeakPolarHBondContact O-CB 3.27Å; A886-L890 WeakPolarHBondContact O-CG 3.38Å; A886-L890 PolarHBondContact O-N 3.43Å
887	N	84.1	Confident	81.8	Confident	27 Å²	27	43 Å²	43	14%	0.144	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-42.6	176.5	-175	-6.2	0	0	0	110.9	R883 S884 L885 G891 G892 G894	R883-N887 PolarHBondContact NH2-OD1 3.08Å; S884-N887 WeakPolarHBondContact O-CB 3.47Å; S884-N887 PolarHBondContact O-N 2.87Å; S884-N887 WeakPolarHBondContact OG-CB 3.26Å; S884-N887 PolarHBondContact OG-N 3.43Å; L885-N887 VanDerWaalsContact C-N 3.34Å; L885-N887 PolarHBondContact O-N 3.37Å; N887-G891 PolarHBondContact O-N 3Å; N887-G891 VanDerWaalsContact O-N 3.14Å; N887-G892 PolarHBondContact O-N 3.41Å; N887-G892 WeakPolarHBondContact OD1-CA 3.38Å; N887-G892 PolarHBondContact OD1-N 2.74Å; N887-G892 PolarHBondContact OD1-O 3.44Å; N887-G894 PolarHBondContact ND2-O 2.96Å
888	V	86.4	Confident	81.2	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-51.8	177.8	177.8	0	0	0	0	112	D831 V834 R883 S884 L885 G891	D831-V888 HydrophobicContact CB-CG1 4.04Å; V834-V888 HydrophobicContact CB-CG1 3.99Å; V834-V888 HydrophobicContact CG1-CB 4.47Å; V834-V888 HydrophobicContact CG1-CG1 3.9Å; V834-V888 HydrophobicContact CG2-CG1 4.38Å; R883-V888 HydrophobicContact CB-CG2 3.99Å; S884-V888 PolarHBondContact O-N 2.99Å; L885-V888 PolarHBondContact O-N 2.89Å; V888-G891 PolarHBondContact O-N 3.23Å
889	I	86.4	Confident	80.5	Confident	37 Å²	37	45.7 Å²	45.7	19%	0.19	27%	0.273	C	S	.	.	H	α-helix	trans	-71.1	-35.1	-174.7	-63.5	-63	0	0	0	112.6	L823 I827 V838 L885	L823-I889 HydrophobicContact CD2-CG2 4.37Å; I827-I889 HydrophobicContact CD1-CD1 3.84Å; V838-I889 HydrophobicContact CG2-CD1 4.43Å; L885-I889 HydrophobicContact CD1-CG1 3.98Å; L885-I889 HydrophobicContact CG-CG1 4.27Å; L885-I889 WeakPolarHBondContact O-CG1 3.12Å; L885-I889 PolarHBondContact O-N 3.39Å
890	L	85.1	Confident	79.8	Confident	78 Å²	78	49.7 Å²	49.7	41%	0.408	30%	0.298	S	S	.	.	H	α-helix	trans	-89	-3.9	-179.7	-60	177.9	0	0	0	113.3	R778 H779 A886	R778-L890 PolarHBondContact NE-O 3Å; R778-L890 PolarHBondContact NH2-O 3.48Å; H779-L890 PolarHBondContact CE1-O 2.89Å; A886-L890 WeakPolarHBondContact O-CB 3.27Å; A886-L890 WeakPolarHBondContact O-CG 3.38Å; A886-L890 PolarHBondContact O-N 3.43Å
891	G	67.8	Low	79.1	Confident	20 Å²	20	51.2 Å²	51.2	21%	0.206	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	47.3	178.2	0	0	0	0	0	113	R778 N887 V888	R778-G891 PolarHBondContact NH2-O 3.07Å; N887-G891 PolarHBondContact O-N 3Å; N887-G891 VanDerWaalsContact O-N 3.14Å; V888-G891 PolarHBondContact O-N 3.23Å
892	G	67.4	Low	78.8	Confident	33 Å²	33	59.1 Å²	59.1	34%	0.34	35%	0.348	S	S	.	.			trans	-74.2	156.7	172.4	0	0	0	0	0	112.4	R883 N887	R883-G892 PolarHBondContact NH2-O 2.86Å; R883-G892 VanDerWaalsContact NH2-O 3.16Å; N887-G892 PolarHBondContact O-N 3.41Å; N887-G892 WeakPolarHBondContact OD1-CA 3.38Å; N887-G892 PolarHBondContact OD1-N 2.74Å; N887-G892 PolarHBondContact OD1-O 3.44Å
893	Y	62.8	Low	78.5	Confident	212 Å²	212	61.6 Å²	61.6	83%	0.831	37%	0.365	S	S	*	.			trans	-96.7	131.7	-179	-170.2	-96.3	0	0	0	110.2	I1024	Y893-I1024 HydrophobicContact CD2-CD1 4.43Å; Y893-I1024 HydrophobicContact CE1-CD1 4.13Å; Y893-I1024 HydrophobicContact CE1-CG1 4.46Å; Y893-I1024 HydrophobicContact CE2-CD1 3.85Å
894	G	64.9	Low	78.1	Confident	8 Å²	8	65.3 Å²	65.3	8%	0.082	39%	0.386	C	S	.	.	S	Bend	trans	84.7	179.3	176.7	0	0	0	0	0	116.4	N887	N887-G894 PolarHBondContact ND2-O 2.96Å
895	T	73.6	Confident	77.6	Confident	14 Å²	14	70.4 Å²	70.4	9%	0.086	40%	0.403	C	S	.	.			trans	-89.6	172.5	174.6	59.1	0	0	0	0	112	N882 R883 S897 T898 I1024 A1026	N882-T895 HydrophobicContact CB-CG2 4.15Å; N882-T895 WeakPolarHBondContact O-CA 3.44Å; N882-T895 VanDerWaalsContact O-CB 3.25Å; N882-T895 WeakPolarHBondContact O-CB 3.46Å; R883-T895 HydrophobicContact CG-CG2 4.31Å; T895-S897 PolarHBondContact O-N 3.4Å; T895-T898 PolarHBondContact N-OG1 3.5Å; T895-T898 PolarHBondContact OG1-N 3.3Å; T895-T898 PolarHBondContact OG1-OG1 3.47Å; T895-I1024 VanDerWaalsContact CG2-O 3.27Å; T895-I1024 WeakPolarHBondContact CG2-O 2.96Å; T895-I1024 PolarHBondContact N-O 3.47Å; T895-A1026 WeakPolarHBondContact CB-O 3.35Å; T895-A1026 PolarHBondContact OG1-O 2.69Å
896	S	73.6	Confident	77.1	Confident	78 Å²	78	69.4 Å²	69.4	55%	0.545	40%	0.397	S	S	.	.	S	Bend	trans	-67.4	-19.5	175.7	79.8	0	0	0	0	113.8	N882	N882-S896 PolarHBondContact O-N 3.34Å; N882-S896 VanDerWaalsContact O-N 3.08Å; N882-S896 PolarHBondContact OD1-OG 2.87Å
897	S	76.9	Confident	76.4	Confident	11 Å²	11	72.2 Å²	72.2	8%	0.077	41%	0.408	C	S	.	.	S	Bend	trans	-106.3	-8.2	-174.3	-47.2	0	0	0	0	113.6	E460 N882 T895 G899	E460-S897 VanDerWaalsContact OE1-CB 3.29Å; E460-S897 WeakPolarHBondContact OE1-CB 3.23Å; E460-S897 PolarHBondContact OE1-OG 2.85Å; N882-S897 WeakPolarHBondContact ND2-CB 3.28Å; N882-S897 PolarHBondContact ND2-OG 3.46Å; T895-S897 PolarHBondContact O-N 3.4Å; S897-G899 PolarHBondContact O-N 3.05Å
898	T	78.9	Confident	76	Confident	43 Å²	43	74 Å²	74	26%	0.264	43%	0.434	S	S	.	.			trans	-58.2	126.4	178.6	-61.5	0	0	0	0	111.6	T895 P1021 S1023	T895-T898 PolarHBondContact N-OG1 3.5Å; T895-T898 PolarHBondContact OG1-N 3.3Å; T895-T898 PolarHBondContact OG1-OG1 3.47Å; T898-P1021 CarbonylContact C-O 3.59Å; T898-P1021 WeakPolarHBondContact CA-O 3.48Å; T898-S1023 WeakPolarHBondContact CG2-O 3.48Å; T898-S1023 PolarHBondContact OG1-O 3.09Å
899	G	76.5	Confident	75.9	Confident	30 Å²	30	79.1 Å²	79.1	31%	0.309	47%	0.465	S	S	.	.			trans	-74.5	176.2	172.6	0	0	0	0	0	113.3	S897 P1021	S897-G899 PolarHBondContact O-N 3.05Å; G899-P1021 PolarHBondContact N-O 2.96Å
900	T	75.3	Confident	76	Confident	158 Å²	158	79.8 Å²	79.8	97%	0.969	47%	0.467	S	S	*	.	S	Bend	trans	-95.7	0.6	-177.5	54.7	0	0	0	0	113.9
901	G	75.2	Confident	76.3	Confident	40 Å²	40	79.2 Å²	79.2	41%	0.412	47%	0.467	S	S	.	.	S	Bend	trans	-80	179.5	-179.2	0	0	0	0	0	113.4	N1022	G901-N1022 VanDerWaalsContact CA-OD1 3.26Å; G901-N1022 WeakPolarHBondContact CA-OD1 3.43Å; G901-N1022 PolarHBondContact N-OD1 3.04Å
902	K	79.6	Confident	77.6	Confident	190 Å²	190	83.7 Å²	83.7	83%	0.826	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-77.3	139.6	169.5	-70.7	-174.8	177.8	-177.9	0	109.6	N1022	K902-N1022 WeakPolarHBondContact O-CB 3.3Å; K902-N1022 PolarHBondContact O-ND2 3.33Å
903	P	81.3	Confident	78.9	Confident	75 Å²	75	82.8 Å²	82.8	49%	0.487	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-54.8	151	169.9	-23.7	33.3	0	0	0	111.6	E905 D1020	P903-E905 PolarHBondContact O-N 3.04Å; P903-D1020 WeakPolarHBondContact CA-OD2 3.4Å
904	M	79.6	Confident	80.5	Confident	111 Å²	111	76.2 Å²	76.2	55%	0.547	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-59.9	133.3	177.5	-171.9	-178.2	-60.6	0	0	110.8	D1020	M904-D1020 HydrophobicContact CB-CB 4.31Å; M904-D1020 HydrophobicContact CE-CB 4.46Å; M904-D1020 PolarHBondContact N-OD2 2.9Å
905	E	78.8	Confident	81.9	Confident	171 Å²	171	77 Å²	77	80%	0.799	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-72.8	132.2	172.8	-73.1	-170.5	174.6	0	0	110.5	P903	P903-E905 PolarHBondContact O-N 3.04Å
906	I	78.3	Confident	82.9	Confident	60 Å²	60	80.7 Å²	80.7	31%	0.308	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-76.9	126.6	175.1	-64.8	-176.5	0	0	0	108.9	D1054 P1056 Y1059	I906-D1054 HydrophobicContact CD1-CB 3.42Å; I906-D1054 VanDerWaalsContact CD1-CB 3.42Å; I906-D1054 VanDerWaalsContact CD1-CG 3.42Å; I906-D1054 WeakPolarHBondContact CD1-OD2 3.38Å; I906-P1056 HydrophobicContact CD1-CG 4.46Å; I906-Y1059 HydrophobicContact CD1-CD2 4.36Å; I906-Y1059 HydrophobicContact CD1-CE2 4Å; I906-Y1059 HydrophobicContact CG2-CD1 4.1Å; I906-Y1059 HydrophobicContact CG2-CD2 3.33Å; I906-Y1059 HydrophobicContact CG2-CE1 4.23Å; I906-Y1059 HydrophobicContact CG2-CE2 3.49Å; I906-Y1059 VanDerWaalsContact CG2-CE2 3.49Å; I906-Y1059 HydrophobicContact CG2-CG 3.65Å
907	T	71.9	Confident	83.8	Confident	119 Å²	119	81.3 Å²	81.3	73%	0.73	46%	0.463	S	S	*	.			trans	-117.7	144.5	177	56.7	0	0	0	0	109.9
908	G	76.2	Confident	84.7	Confident	66 Å²	66	80.8 Å²	80.8	68%	0.68	46%	0.459	S	S	*	.	S	Bend	trans	112	-179.4	179.5	0	0	0	0	0	114.3
909	T	84.5	Confident	85.4	Confident	108 Å²	108	79 Å²	79	66%	0.663	45%	0.448	S	S	*	.			trans	-117.4	153	173.4	-174.8	0	0	0	0	109.2
910	H	88.5	Confident	86.2	Confident	50 Å²	50	81.5 Å²	81.5	23%	0.231	46%	0.455	C	S	.	.			trans	-78.5	153.1	171.8	67.8	-75.7	0	0	0	110.4	L1046 F1058 Y1059 M1065	H910-L1046 VanDerWaalsContact CE1-CD1 3.47Å; H910-L1046 WeakPolarHBondContact CE1-CD1 3.34Å; H910-L1046 WeakPolarHBondContact ND1-CD1 3.33Å; H910-F1058 WeakPolarHBondContact CB-O 3.38Å; H910-Y1059 HydrophobicContact CB-CD1 4.47Å; H910-M1065 HydrophobicContact CB-CG 4.01Å
911	T	91.5	Very high	87.2	Confident	67 Å²	67	76.2 Å²	76.2	41%	0.411	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.1	168.4	-58.3	0	0	0	0	108.3	S1064 M1065	T911-S1064 CarbonylContact O-C 3.6Å; T911-M1065 WeakPolarHBondContact O-CB 3.28Å; T911-M1065 WeakPolarHBondContact O-CG 3.49Å; T911-M1065 PolarHBondContact O-N 2.81Å
912	E	94.1	Very high	88.1	Confident	113 Å²	113	74.4 Å²	74.4	53%	0.528	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.3	176.8	-167.4	176.3	177.8	0	0	110.6	M1065	E912-M1065 WeakPolarHBondContact CA-O 3.1Å; E912-M1065 WeakPolarHBondContact CG-O 3.5Å
913	V	95.8	Very high	88.7	Confident	14 Å²	14	69.8 Å²	69.8	9%	0.085	38%	0.381	C	S	.	.			trans	-127.6	155.3	178	-65.4	0	0	0	0	110.8	Q917 M921 M1065 L1066	V913-Q917 HydrophobicContact CB-CB 4.25Å; V913-M921 HydrophobicContact CG1-CE 4.26Å; V913-M1065 PolarHBondContact N-O 3.27Å; V913-L1066 HydrophobicContact CG2-CB 4.44Å; V913-L1066 WeakPolarHBondContact O-CD1 3.25Å
914	N	95.5	Very high	89.3	Confident	74 Å²	74	73.6 Å²	73.6	40%	0.396	39%	0.392	S	S	.	.			trans	-94.8	179	173.5	66.4	21.5	0	0	0	112.3	E916 Q917 T918	N914-E916 VanDerWaalsContact C-N 3.34Å; N914-E916 VanDerWaalsContact CG-OE2 3.22Å; N914-E916 PolarHBondContact O-N 2.89Å; N914-E916 WeakPolarHBondContact OD1-CB 3.38Å; N914-E916 PolarHBondContact OD1-N 2.92Å; N914-E916 PolarHBondContact OD1-OE2 3.48Å; N914-Q917 VanDerWaalsContact N-OE1 3.09Å; N914-Q917 WeakPolarHBondContact OD1-CB 3.25Å; N914-Q917 VanDerWaalsContact OD1-CG 3.23Å; N914-Q917 WeakPolarHBondContact OD1-CG 3.36Å; N914-Q917 PolarHBondContact OD1-N 3.43Å; N914-Q917 PolarHBondContact OD1-OE1 3.32Å; N914-T918 WeakPolarHBondContact O-CB 3.25Å; N914-T918 PolarHBondContact O-N 3.28Å; N914-T918 VanDerWaalsContact O-N 3.09Å; N914-T918 PolarHBondContact O-OG1 3.4Å
915	V	95	Very high	90.1	Very high	26 Å²	26	68.6 Å²	68.6	16%	0.158	37%	0.368	C	S	.	.	H	α-helix	trans	-64.7	-39.9	-178.1	180	0	0	0	0	110.8	T918 V919 L1066 A1076 L1077 K1080	V915-T918 WeakPolarHBondContact O-CB 3.29Å; V915-T918 PolarHBondContact O-N 2.85Å; V915-V919 HydrophobicContact CG1-CG2 4.48Å; V915-V919 VanDerWaalsContact O-CG2 3.31Å; V915-V919 WeakPolarHBondContact O-CG2 3.35Å; V915-V919 PolarHBondContact O-N 3.19Å; V915-L1066 HydrophobicContact CG2-CD1 4.23Å; V915-A1076 HydrophobicContact CG1-CB 3.94Å; V915-A1076 HydrophobicContact CG2-CB 4.39Å; V915-L1077 HydrophobicContact CG1-CD2 3.83Å; V915-L1077 HydrophobicContact CG1-CG 4.41Å; V915-K1080 HydrophobicContact CG1-CD 4.02Å
916	E	93.2	Very high	90.9	Very high	91 Å²	91	66.9 Å²	66.9	43%	0.425	36%	0.36	S	S	.	.	H	α-helix	trans	-58.3	-54.1	178.6	-65.8	67.8	-157.7	0	0	111.4	N914 T918 V919 D920 K1080	N914-E916 VanDerWaalsContact C-N 3.34Å; N914-E916 VanDerWaalsContact CG-OE2 3.22Å; N914-E916 PolarHBondContact O-N 2.89Å; N914-E916 WeakPolarHBondContact OD1-CB 3.38Å; N914-E916 PolarHBondContact OD1-N 2.92Å; N914-E916 PolarHBondContact OD1-OE2 3.48Å; E916-T918 VanDerWaalsContact C-N 3.26Å; E916-T918 PolarHBondContact O-N 3.41Å; E916-V919 PolarHBondContact O-N 3.41Å; E916-V919 VanDerWaalsContact O-N 3.13Å; E916-D920 PolarHBondContact O-N 3.04Å; E916-D920 VanDerWaalsContact O-N 3.07Å; E916-K1080 VanDerWaalsContact CG-NZ 3.29Å; E916-K1080 IonicContact OE1-NZ 2.9Å; E916-K1080 PolarHBondContact OE1-NZ 2.95Å
917	Q	92.7	Very high	91.8	Very high	90 Å²	90	65 Å²	65	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-37.6	178.8	-70.3	169.8	-39.9	0	0	111.7	V913 N914 D920 M921	V913-Q917 HydrophobicContact CB-CB 4.25Å; N914-Q917 VanDerWaalsContact N-OE1 3.09Å; N914-Q917 WeakPolarHBondContact OD1-CB 3.25Å; N914-Q917 VanDerWaalsContact OD1-CG 3.23Å; N914-Q917 WeakPolarHBondContact OD1-CG 3.36Å; N914-Q917 PolarHBondContact OD1-N 3.43Å; N914-Q917 PolarHBondContact OD1-OE1 3.32Å; Q917-D920 PolarHBondContact O-N 3.12Å; Q917-M921 WeakPolarHBondContact O-CG 3.17Å; Q917-M921 PolarHBondContact O-N 3.36Å; Q917-M921 VanDerWaalsContact O-N 3.07Å
918	T	95.6	Very high	93.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.8	-42.3	176.3	-60.3	0	0	0	0	111.5	N914 V915 E916 D920 M921 I922 I1040 L1066 L1077	N914-T918 WeakPolarHBondContact O-CB 3.25Å; N914-T918 PolarHBondContact O-N 3.28Å; N914-T918 VanDerWaalsContact O-N 3.09Å; N914-T918 PolarHBondContact O-OG1 3.4Å; V915-T918 WeakPolarHBondContact O-CB 3.29Å; V915-T918 PolarHBondContact O-N 2.85Å; E916-T918 VanDerWaalsContact C-N 3.26Å; E916-T918 PolarHBondContact O-N 3.41Å; T918-D920 VanDerWaalsContact C-N 3.32Å; T918-D920 PolarHBondContact O-N 3.17Å; T918-M921 PolarHBondContact O-N 2.59Å; T918-I922 HydrophobicContact CG2-CD1 3.93Å; T918-I922 VanDerWaalsContact O-CG1 3.3Å; T918-I922 WeakPolarHBondContact O-CG1 3.31Å; T918-I922 PolarHBondContact O-N 2.92Å; T918-I1040 HydrophobicContact CG2-CD1 3.6Å; T918-I1040 HydrophobicContact CG2-CG2 4.34Å; T918-L1066 HydrophobicContact CG2-CD2 4.09Å; T918-L1077 HydrophobicContact CG2-CD1 4.25Å; T918-L1077 HydrophobicContact CG2-CD2 3.58Å
919	V	95.2	Very high	94.2	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.03	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-39.7	176.9	170.1	0	0	0	0	111.1	V915 E916 I922 K923 L1077 K1080 V1081	V915-V919 HydrophobicContact CG1-CG2 4.48Å; V915-V919 VanDerWaalsContact O-CG2 3.31Å; V915-V919 WeakPolarHBondContact O-CG2 3.35Å; V915-V919 PolarHBondContact O-N 3.19Å; E916-V919 PolarHBondContact O-N 3.41Å; E916-V919 VanDerWaalsContact O-N 3.13Å; V919-I922 PolarHBondContact O-N 2.98Å; V919-K923 HydrophobicContact CG1-CD 4.3Å; V919-K923 WeakPolarHBondContact O-CG 3.39Å; V919-K923 PolarHBondContact O-N 3.39Å; V919-L1077 HydrophobicContact CG2-CD2 3.71Å; V919-K1080 HydrophobicContact CG1-CB 4.44Å; V919-K1080 HydrophobicContact CG2-CB 3.82Å; V919-K1080 HydrophobicContact CG2-CD 4.24Å; V919-V1081 HydrophobicContact CG1-CG2 4.26Å; V919-V1081 HydrophobicContact CG2-CG2 4.49Å
920	D	93.4	Very high	94.9	Very high	84 Å²	84	51.2 Å²	51.2	45%	0.449	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-43.5	176.7	-66.3	-23.4	0	0	0	111.3	E916 Q917 T918 I922 K923 E924	E916-D920 PolarHBondContact O-N 3.04Å; E916-D920 VanDerWaalsContact O-N 3.07Å; Q917-D920 PolarHBondContact O-N 3.12Å; T918-D920 VanDerWaalsContact C-N 3.32Å; T918-D920 PolarHBondContact O-N 3.17Å; D920-I922 VanDerWaalsContact C-N 3.34Å; D920-I922 PolarHBondContact O-N 2.93Å; D920-K923 WeakPolarHBondContact O-CB 3.22Å; D920-K923 PolarHBondContact O-N 2.94Å; D920-K923 VanDerWaalsContact O-N 3.14Å; D920-E924 WeakPolarHBondContact O-CG 3.33Å; D920-E924 PolarHBondContact O-N 3.23Å
921	M	94.6	Very high	95.3	Very high	47 Å²	47	48.8 Å²	48.8	23%	0.232	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-38.6	173.7	-66.6	178	-170	0	0	112.7	V913 Q917 T918 K923 E924 A925 Q1038 I1040	V913-M921 HydrophobicContact CG1-CE 4.26Å; Q917-M921 WeakPolarHBondContact O-CG 3.17Å; Q917-M921 PolarHBondContact O-N 3.36Å; Q917-M921 VanDerWaalsContact O-N 3.07Å; T918-M921 PolarHBondContact O-N 2.59Å; M921-K923 VanDerWaalsContact C-N 3.31Å; M921-K923 PolarHBondContact O-N 3.44Å; M921-E924 PolarHBondContact O-N 2.92Å; M921-A925 WeakPolarHBondContact O-CB 3.38Å; M921-A925 PolarHBondContact O-N 2.91Å; M921-A925 VanDerWaalsContact O-N 3.13Å; M921-Q1038 HydrophobicContact SD-CG 4.09Å; M921-Q1038 PolarHBondContact SD-NE2 2.63Å; M921-Q1038 VanDerWaalsContact SD-NE2 3.42Å; M921-I1040 HydrophobicContact CB-CD1 4.4Å; M921-I1040 HydrophobicContact SD-CD1 4.01Å
922	I	95.3	Very high	95.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-37.2	175.1	-70.5	166.6	0	0	0	111.1	T918 V919 D920 I928 L952 K957 L1003 L1005 L1077	T918-I922 HydrophobicContact CG2-CD1 3.93Å; T918-I922 VanDerWaalsContact O-CG1 3.3Å; T918-I922 WeakPolarHBondContact O-CG1 3.31Å; T918-I922 PolarHBondContact O-N 2.92Å; V919-I922 PolarHBondContact O-N 2.98Å; D920-I922 VanDerWaalsContact C-N 3.34Å; D920-I922 PolarHBondContact O-N 2.93Å; I922-I928 HydrophobicContact CG2-CD1 4.27Å; I922-L952 HydrophobicContact CG2-CD1 3.97Å; I922-L952 HydrophobicContact CG2-CD2 3.71Å; I922-K957 PolarHBondContact O-NZ 3.37Å; I922-L1003 HydrophobicContact CB-CD2 4.33Å; I922-L1003 HydrophobicContact CG1-CD2 3.64Å; I922-L1005 HydrophobicContact CD1-CD1 4.42Å; I922-L1077 HydrophobicContact CD1-CD2 4.27Å
923	K	92.3	Very high	95.6	Very high	94 Å²	94	40.5 Å²	40.5	41%	0.409	20%	0.199	S	C	.	.	H	α-helix	trans	-67.3	-40.5	177.5	-74.1	171.5	-179.5	172.5	0	112	V919 D920 M921 K957 S1084	V919-K923 HydrophobicContact CG1-CD 4.3Å; V919-K923 WeakPolarHBondContact O-CG 3.39Å; V919-K923 PolarHBondContact O-N 3.39Å; D920-K923 WeakPolarHBondContact O-CB 3.22Å; D920-K923 PolarHBondContact O-N 2.94Å; D920-K923 VanDerWaalsContact O-N 3.14Å; M921-K923 VanDerWaalsContact C-N 3.31Å; M921-K923 PolarHBondContact O-N 3.44Å; K923-K957 PolarHBondContact O-NZ 2.91Å; K923-S1084 VanDerWaalsContact CE-CB 3.42Å; K923-S1084 WeakPolarHBondContact CE-OG 3.2Å
924	E	93.6	Very high	95.2	Very high	155 Å²	155	43 Å²	43	72%	0.724	21%	0.207	S	C	*	.	H	α-helix	trans	-69.5	-32	178.5	-69.8	179.1	176.2	0	0	113.2	D920 M921	D920-E924 WeakPolarHBondContact O-CG 3.33Å; D920-E924 PolarHBondContact O-N 3.23Å; M921-E924 PolarHBondContact O-N 2.92Å
925	A	96.2	Very high	95	Very high	6 Å²	6	40.9 Å²	40.9	5%	0.05	20%	0.202	C	C	.	.			trans	-75.7	137	-175.9	0	0	0	0	0	113.6	M921 I928 K957 D1002 L1003	M921-A925 WeakPolarHBondContact O-CB 3.38Å; M921-A925 PolarHBondContact O-N 2.91Å; M921-A925 VanDerWaalsContact O-N 3.13Å; A925-I928 HydrophobicContact CB-CD1 4.22Å; A925-I928 HydrophobicContact CB-CG1 3.93Å; A925-K957 PolarHBondContact O-NZ 3.37Å; A925-D1002 HydrophobicContact CB-CB 3.85Å; A925-L1003 HydrophobicContact CB-CB 3.61Å; A925-L1003 HydrophobicContact CB-CD2 4.15Å
926	H	95.8	Very high	95	Very high	135 Å²	135	39.6 Å²	39.6	63%	0.625	20%	0.195	S	C	*	.	S	Bend	trans	-101.8	-35.9	174.6	-74.3	-79	0	0	0	113	K958 D1002	H926-K958 PolarHBondContact O-N 2.96Å; H926-D1002 PolarHBondContact N-OD2 3.48Å
927	N	97.6	Very high	94.9	Very high	21 Å²	21	35.8 Å²	35.8	11%	0.112	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	112.8	176.4	-176.4	20.7	0	0	0	110.1	E1000 T1001 D1002 L1003	N927-E1000 PolarHBondContact ND2-O 2.86Å; N927-T1001 WeakPolarHBondContact ND2-CA 3.49Å; N927-T1001 PolarHBondContact ND2-OG1 3.3Å; N927-T1001 WeakPolarHBondContact O-CG2 3.48Å; N927-D1002 PolarHBondContact N-OD2 3.33Å; N927-D1002 PolarHBondContact O-N 3.33Å; N927-L1003 PolarHBondContact O-N 2.94Å
928	I	98.6	Very high	94.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.1	-175	-53.9	176.3	0	0	0	109.9	I922 A925 L952 K957 K958 V959 R960 L1003 L1005	I922-I928 HydrophobicContact CG2-CD1 4.27Å; A925-I928 HydrophobicContact CB-CD1 4.22Å; A925-I928 HydrophobicContact CB-CG1 3.93Å; I928-L952 HydrophobicContact CD1-CD1 4.17Å; I928-K957 HydrophobicContact CD1-CD 4.28Å; I928-K958 PolarHBondContact N-O 3.46Å; I928-V959 HydrophobicContact CB-CG1 4.32Å; I928-V959 HydrophobicContact CB-CG2 4.29Å; I928-V959 HydrophobicContact CD1-CG2 4.45Å; I928-V959 HydrophobicContact CG2-CG1 4.41Å; I928-V959 WeakPolarHBondContact O-CA 3.1Å; I928-R960 PolarHBondContact O-N 3.34Å; I928-L1003 VanDerWaalsContact CA-O 3.29Å; I928-L1003 WeakPolarHBondContact CA-O 3.33Å; I928-L1003 HydrophobicContact CG1-CB 4.35Å; I928-L1005 HydrophobicContact CG2-CD1 4.42Å; I928-L1005 HydrophobicContact CG2-CG 4.33Å
929	I	98.8	Very high	94.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.2	170.8	-63.2	173.9	0	0	0	109.4	T931 R960 I994 D997 F998 T1001 L1003 V1004 L1005	I929-T931 HydrophobicContact CG2-CG2 4.12Å; I929-R960 CarbonylContact C-O 3.46Å; I929-R960 WeakPolarHBondContact CA-O 3.22Å; I929-I994 HydrophobicContact CD1-CD1 3.91Å; I929-I994 HydrophobicContact CD1-CG1 3.93Å; I929-I994 HydrophobicContact CG1-CD1 4.1Å; I929-I994 HydrophobicContact CG2-CD1 3.7Å; I929-D997 HydrophobicContact CD1-CB 4.46Å; I929-F998 HydrophobicContact CB-CE1 4.21Å; I929-F998 HydrophobicContact CD1-CD1 4Å; I929-F998 HydrophobicContact CD1-CE1 3.97Å; I929-F998 HydrophobicContact CG2-CE1 3.81Å; I929-F998 HydrophobicContact CG2-CZ 4.14Å; I929-T1001 HydrophobicContact CB-CG2 4.17Å; I929-T1001 HydrophobicContact CD1-CG2 3.89Å; I929-T1001 WeakPolarHBondContact CD1-OG1 3.23Å; I929-T1001 HydrophobicContact CG1-CG2 3.8Å; I929-L1003 PolarHBondContact N-O 3.43Å; I929-V1004 HydrophobicContact CB-CG2 4.39Å; I929-V1004 CarbonylContact O-C 3.59Å; I929-V1004 VanDerWaalsContact O-CA 3.24Å; I929-V1004 WeakPolarHBondContact O-CA 3.47Å; I929-L1005 PolarHBondContact O-N 3.33Å
930	I	98.6	Very high	94.5	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.2	174	-54.2	-176.8	0	0	0	108.3	P932 I945 V949 V959 R960 F961 G962 L1005 I1007	I930-P932 WeakPolarHBondContact O-CD 3.44Å; I930-I945 HydrophobicContact CD1-CG2 4.13Å; I930-V949 HydrophobicContact CD1-CG2 3.46Å; I930-V949 VanDerWaalsContact CD1-CG2 3.46Å; I930-V959 HydrophobicContact CD1-CG1 4.16Å; I930-V959 HydrophobicContact CG1-CG1 4.4Å; I930-R960 PolarHBondContact N-O 2.83Å; I930-F961 HydrophobicContact CB-CD1 3.82Å; I930-F961 HydrophobicContact CB-CE1 3.95Å; I930-F961 HydrophobicContact CB-CG 4.49Å; I930-F961 HydrophobicContact CD1-CE1 4.13Å; I930-F961 HydrophobicContact CD1-CZ 4.19Å; I930-F961 HydrophobicContact CG2-CD1 3.94Å; I930-F961 HydrophobicContact CG2-CE1 3.82Å; I930-F961 CarbonylContact O-C 3.36Å; I930-F961 VanDerWaalsContact O-CA 3.29Å; I930-F961 WeakPolarHBondContact O-CA 3.49Å; I930-G962 PolarHBondContact O-N 3.47Å; I930-L1005 CarbonylContact C-O 3.41Å; I930-L1005 WeakPolarHBondContact CA-O 3.43Å; I930-L1005 HydrophobicContact CD1-CD1 4.49Å; I930-L1005 HydrophobicContact CG1-CB 4.27Å; I930-L1005 HydrophobicContact CG1-CD1 4.35Å; I930-L1005 HydrophobicContact CG2-CB 4.5Å; I930-I1007 HydrophobicContact CG2-CD1 3.82Å; I930-I1007 HydrophobicContact CG2-CG1 4.25Å
931	T	98.3	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	89.5	175.8	55.9	0	0	0	0	109.5	I929 F998 V1004 L1005 V1006 I1007 L1031 V1033	I929-T931 HydrophobicContact CG2-CG2 4.12Å; T931-F998 HydrophobicContact CG2-CE1 4.34Å; T931-F998 HydrophobicContact CG2-CZ 4.03Å; T931-V1004 HydrophobicContact CG2-CG1 4.2Å; T931-L1005 PolarHBondContact N-O 2.61Å; T931-V1006 WeakPolarHBondContact OG1-CA 3.39Å; T931-V1006 WeakPolarHBondContact OG1-CG2 3.36Å; T931-I1007 PolarHBondContact O-N 3.45Å; T931-I1007 VanDerWaalsContact O-N 3.09Å; T931-L1031 HydrophobicContact CG2-CB 4.49Å; T931-L1031 HydrophobicContact CG2-CD1 3.82Å; T931-V1033 HydrophobicContact CG2-CG1 3.87Å
932	P	97	Very high	94.6	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	146.3	-178.2	30.5	-33.7	0	0	0	111.4	I930 L936 F961 I963 L974 L978	I930-P932 WeakPolarHBondContact O-CD 3.44Å; P932-L936 HydrophobicContact CB-CD1 4.07Å; P932-F961 HydrophobicContact CG-CD1 4.05Å; P932-I963 HydrophobicContact CG-CD1 3.6Å; P932-L974 HydrophobicContact CB-CD1 4.36Å; P932-L974 HydrophobicContact CB-CD2 3.95Å; P932-L974 HydrophobicContact CB-CG 4.45Å; P932-L974 HydrophobicContact CG-CD2 3.68Å; P932-L974 HydrophobicContact CG-CG 4.14Å; P932-L974 VanDerWaalsContact O-CD2 3.32Å; P932-L974 WeakPolarHBondContact O-CD2 3.47Å; P932-L978 HydrophobicContact CG-CD1 4.27Å
933	G	93.8	Very high	94.7	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.031	20%	0.198	C	C	.	.			trans	-120.5	-178.5	166.5	0	0	0	0	0	112	G935 L936 I1007 G1008	G933-G935 PolarHBondContact O-N 3.18Å; G933-G935 VanDerWaalsContact O-N 3.1Å; G933-L936 WeakPolarHBondContact O-CB 2.86Å; G933-L936 PolarHBondContact O-N 2.78Å; G933-L936 VanDerWaalsContact O-N 3.11Å; G933-I1007 PolarHBondContact N-O 3.35Å; G933-G1008 WeakPolarHBondContact CA-O 3.38Å
934	Y	89.2	Confident	94.9	Very high	68 Å²	68	34.6 Å²	34.6	27%	0.267	18%	0.18	S	C	.	.	H	α-helix	trans	-58.3	-27.7	178.9	-176.3	-104.2	0	0	0	112.8	L936 C937 A938 R969	Y934-L936 VanDerWaalsContact C-N 3.27Å; Y934-L936 PolarHBondContact O-N 3.16Å; Y934-C937 PolarHBondContact O-N 2.96Å; Y934-A938 HydrophobicContact CD1-CB 4.12Å; Y934-A938 HydrophobicContact CE1-CB 3.71Å; Y934-A938 WeakPolarHBondContact O-CB 3.21Å; Y934-A938 PolarHBondContact O-N 3.19Å; Y934-R969 HydrophobicContact CD2-CG 3.89Å; Y934-R969 HydrophobicContact CE1-CG 4.45Å; Y934-R969 HydrophobicContact CE2-CB 4.42Å; Y934-R969 HydrophobicContact CE2-CG 3.63Å; Y934-R969 HydrophobicContact CG-CG 4.4Å; Y934-R969 VanDerWaalsContact CZ-CD 3.45Å; Y934-R969 VanDerWaalsContact CZ-CZ 3.45Å; Y934-R969 WeakPolarHBondContact OH-CD 3.35Å; Y934-R969 PolarHBondContact OH-NE 3.14Å; Y934-R969 VanDerWaalsContact OH-NE 3.13Å; Y934-R969 PolarHBondContact OH-NH1 2.85Å
935	G	91.1	Very high	95	Very high	28 Å²	28	27.3 Å²	27.3	29%	0.289	15%	0.146	S	C	.	.	H	α-helix	trans	-59.8	-32.6	177.4	0	0	0	0	0	114.1	G933 A939 G1008	G933-G935 PolarHBondContact O-N 3.18Å; G933-G935 VanDerWaalsContact O-N 3.1Å; G935-A939 WeakPolarHBondContact O-CB 3.49Å; G935-A939 PolarHBondContact O-N 3.17Å; G935-G1008 PolarHBondContact N-O 3.18Å
936	L	94.4	Very high	95	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-46.9	175.4	172	145.6	0	0	0	110.9	P932 G933 Y934 A939 K940 A941 Q942 I945 I1007	P932-L936 HydrophobicContact CB-CD1 4.07Å; G933-L936 WeakPolarHBondContact O-CB 2.86Å; G933-L936 PolarHBondContact O-N 2.78Å; G933-L936 VanDerWaalsContact O-N 3.11Å; Y934-L936 VanDerWaalsContact C-N 3.27Å; Y934-L936 PolarHBondContact O-N 3.16Å; L936-A939 PolarHBondContact O-N 3.42Å; L936-K940 PolarHBondContact O-N 3.37Å; L936-A941 HydrophobicContact CG-CB 4.3Å; L936-A941 WeakPolarHBondContact O-CB 3.42Å; L936-A941 PolarHBondContact O-N 3.19Å; L936-Q942 HydrophobicContact CD2-CB 3.64Å; L936-I945 HydrophobicContact CD1-CG1 4.11Å; L936-I1007 HydrophobicContact CB-CB 4.48Å; L936-I1007 HydrophobicContact CB-CG2 4.06Å; L936-I1007 HydrophobicContact CD1-CB 3.94Å; L936-I1007 HydrophobicContact CD1-CD1 4.11Å; L936-I1007 HydrophobicContact CD1-CG2 3.84Å; L936-I1007 HydrophobicContact CG-CG2 4.39Å
937	C	90.3	Very high	95	Very high	10 Å²	10	24.1 Å²	24.1	7%	0.068	13%	0.133	C	C	.	.	H	α-helix	trans	-73.6	-38.9	-177.9	-67.1	0	0	0	0	112.5	Y934 A939 K940 L974 L977	Y934-C937 PolarHBondContact O-N 2.96Å; C937-A939 PolarHBondContact O-N 3.42Å; C937-K940 PolarHBondContact O-N 2.95Å; C937-L974 WeakPolarHBondContact SG-CD1 3.35Å; C937-L977 HydrophobicContact CB-CD1 3.69Å; C937-L977 WeakPolarHBondContact SG-CD1 3.3Å
938	A	89	Confident	95	Very high	62 Å²	62	23.1 Å²	23.1	51%	0.512	13%	0.127	S	C	.	.	H	α-helix	trans	-60.4	-30.9	176.5	0	0	0	0	0	112.4	Y934	Y934-A938 HydrophobicContact CD1-CB 4.12Å; Y934-A938 HydrophobicContact CE1-CB 3.71Å; Y934-A938 WeakPolarHBondContact O-CB 3.21Å; Y934-A938 PolarHBondContact O-N 3.19Å
939	A	92.6	Very high	94.9	Very high	24 Å²	24	23.3 Å²	23.3	20%	0.198	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-0.5	175.1	0	0	0	0	0	113.7	G935 L936 C937 A941 A1070 K1071	G935-A939 WeakPolarHBondContact O-CB 3.49Å; G935-A939 PolarHBondContact O-N 3.17Å; L936-A939 PolarHBondContact O-N 3.42Å; C937-A939 PolarHBondContact O-N 3.42Å; A939-A941 HydrophobicContact CB-CB 4.35Å; A939-A941 PolarHBondContact O-N 3.42Å; A939-A1070 HydrophobicContact CB-CB 3.99Å; A939-K1071 HydrophobicContact CB-CB 4.3Å; A939-K1071 WeakPolarHBondContact O-CB 3.21Å
940	K	93.3	Very high	94.7	Very high	98 Å²	98	28.4 Å²	28.4	43%	0.426	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	34.5	-170.4	-58.7	-168.7	172.4	-163	0	112.9	E696 L936 C937	E696-K940 IonicContact OE1-NZ 3.2Å; E696-K940 IonicContact OE2-NZ 2.66Å; E696-K940 PolarHBondContact OE2-NZ 3.36Å; L936-K940 PolarHBondContact O-N 3.37Å; C937-K940 PolarHBondContact O-N 2.95Å
941	A	96.1	Very high	94.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.			trans	-88.5	-2.2	-176.8	0	0	0	0	0	114	L936 A939 Y943 P944 I945 A1070 K1071 C1074	L936-A941 HydrophobicContact CG-CB 4.3Å; L936-A941 WeakPolarHBondContact O-CB 3.42Å; L936-A941 PolarHBondContact O-N 3.19Å; A939-A941 HydrophobicContact CB-CB 4.35Å; A939-A941 PolarHBondContact O-N 3.42Å; A941-Y943 VanDerWaalsContact C-N 3.28Å; A941-Y943 PolarHBondContact O-N 3.33Å; A941-P944 VanDerWaalsContact O-CD 3.25Å; A941-P944 WeakPolarHBondContact O-CD 3.43Å; A941-P944 VanDerWaalsContact O-CG 3.27Å; A941-P944 WeakPolarHBondContact O-CG 3.33Å; A941-I945 WeakPolarHBondContact O-CG1 3.41Å; A941-I945 PolarHBondContact O-N 3.41Å; A941-A1070 HydrophobicContact CB-CB 4.28Å; A941-K1071 HydrophobicContact CB-CD 4.38Å; A941-C1074 HydrophobicContact CB-CB 4.4Å
942	Q	95.5	Very high	94.4	Very high	7 Å²	7	29 Å²	29	3%	0.033	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-34.8	175.9	64.1	-83.7	21.5	0	0	113.2	L936 I945 A946 L978 A981	L936-Q942 HydrophobicContact CD2-CB 3.64Å; Q942-I945 PolarHBondContact O-N 2.92Å; Q942-A946 WeakPolarHBondContact O-CB 3.46Å; Q942-A946 PolarHBondContact O-N 3.21Å; Q942-L978 HydrophobicContact CB-CD2 4.48Å; Q942-A981 HydrophobicContact CB-CB 3.91Å; Q942-A981 HydrophobicContact CG-CB 3.71Å
943	Y	96.1	Very high	94.3	Very high	101 Å²	101	31.4 Å²	31.4	40%	0.396	17%	0.17	S	C	.	.	H	α-helix	trans	-66	-53.6	-178.7	-59.1	-79	0	0	0	113.9	A941 I945 A946 E947 A981	A941-Y943 VanDerWaalsContact C-N 3.28Å; A941-Y943 PolarHBondContact O-N 3.33Å; Y943-I945 PolarHBondContact O-N 3.12Å; Y943-A946 PolarHBondContact O-N 3.48Å; Y943-E947 PolarHBondContact O-N 3.09Å; Y943-A981 HydrophobicContact CD1-CB 4.18Å; Y943-A981 HydrophobicContact CE1-CB 4.47Å
944	P	96.4	Very high	94.3	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.032	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-30.8	175.9	25.3	-35.7	0	0	0	112.4	A941 L948 K1071 C1074 D1075 Q1078	A941-P944 VanDerWaalsContact O-CD 3.25Å; A941-P944 WeakPolarHBondContact O-CD 3.43Å; A941-P944 VanDerWaalsContact O-CG 3.27Å; A941-P944 WeakPolarHBondContact O-CG 3.33Å; P944-L948 WeakPolarHBondContact O-CB 3.38Å; P944-L948 PolarHBondContact O-N 3.14Å; P944-K1071 HydrophobicContact CG-CD 4.22Å; P944-C1074 HydrophobicContact CB-CB 4.27Å; P944-C1074 HydrophobicContact CG-CB 3.88Å; P944-D1075 VanDerWaalsContact CB-OD1 3.31Å; P944-D1075 WeakPolarHBondContact CB-OD1 3.31Å; P944-D1075 WeakPolarHBondContact CG-OD1 3.43Å; P944-Q1078 VanDerWaalsContact CB-OE1 3.28Å
945	I	96.8	Very high	94.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-68.3	-43	174.8	-72.3	-61.4	0	0	0	112	I930 L936 A941 Q942 Y943 E947 L948 V949 F961 I1007 C1074	I930-I945 HydrophobicContact CD1-CG2 4.13Å; L936-I945 HydrophobicContact CD1-CG1 4.11Å; A941-I945 WeakPolarHBondContact O-CG1 3.41Å; A941-I945 PolarHBondContact O-N 3.41Å; Q942-I945 PolarHBondContact O-N 2.92Å; Y943-I945 PolarHBondContact O-N 3.12Å; I945-E947 VanDerWaalsContact C-N 3.3Å; I945-E947 PolarHBondContact O-N 3.34Å; I945-L948 HydrophobicContact CD1-CD2 4.15Å; I945-L948 PolarHBondContact O-N 2.99Å; I945-V949 HydrophobicContact CG2-CG2 4.32Å; I945-V949 VanDerWaalsContact O-CG2 3.29Å; I945-V949 WeakPolarHBondContact O-CG2 3.48Å; I945-V949 PolarHBondContact O-N 2.84Å; I945-F961 HydrophobicContact CG2-CE1 3.89Å; I945-F961 HydrophobicContact CG2-CZ 3.84Å; I945-I1007 HydrophobicContact CD1-CD1 3.56Å; I945-I1007 HydrophobicContact CG1-CD1 3.98Å; I945-C1074 HydrophobicContact CD1-CB 4.01Å; I945-C1074 VanDerWaalsContact CD1-SG 3.57Å; I945-C1074 HydrophobicContact CG1-CB 4.04Å
946	A	96.6	Very high	94.7	Very high	13 Å²	13	39 Å²	39	11%	0.107	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-43.6	176.1	0	0	0	0	0	111.6	Q942 Y943 V949 K950 A981 V983	Q942-A946 WeakPolarHBondContact O-CB 3.46Å; Q942-A946 PolarHBondContact O-N 3.21Å; Y943-A946 PolarHBondContact O-N 3.48Å; A946-V949 PolarHBondContact O-N 3.48Å; A946-K950 WeakPolarHBondContact O-CB 3.46Å; A946-K950 PolarHBondContact O-N 3.45Å; A946-A981 HydrophobicContact CB-CB 3.92Å; A946-A981 VanDerWaalsContact CB-O 3.27Å; A946-A981 WeakPolarHBondContact CB-O 3.22Å; A946-V983 HydrophobicContact CB-CG2 3.64Å
947	E	96	Very high	94.8	Very high	62 Å²	62	40.4 Å²	40.4	29%	0.29	23%	0.234	S	C	.	.	H	α-helix	trans	-68.9	-36.9	176.5	-176.2	69	174.6	0	0	112.2	Y943 I945 K950 M951 Q1078 R1082	Y943-E947 PolarHBondContact O-N 3.09Å; I945-E947 VanDerWaalsContact C-N 3.3Å; I945-E947 PolarHBondContact O-N 3.34Å; E947-K950 PolarHBondContact O-N 3.17Å; E947-M951 HydrophobicContact CG-CE 4.37Å; E947-M951 WeakPolarHBondContact O-CG 3.42Å; E947-M951 PolarHBondContact O-N 3.47Å; E947-Q1078 HydrophobicContact CG-CG 4.5Å; E947-R1082 IonicContact OE1-CZ 3.02Å; E947-R1082 IonicContact OE1-NH2 3.84Å; E947-R1082 PolarHBondContact OE1-NH2 2.96Å
948	L	95.9	Very high	95.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-46.9	172.7	176.4	62.1	0	0	0	111.5	P944 I945 K950 M951 L952 L1077 V1081	P944-L948 WeakPolarHBondContact O-CB 3.38Å; P944-L948 PolarHBondContact O-N 3.14Å; I945-L948 HydrophobicContact CD1-CD2 4.15Å; I945-L948 PolarHBondContact O-N 2.99Å; L948-K950 VanDerWaalsContact C-N 3.29Å; L948-K950 PolarHBondContact O-N 3.3Å; L948-M951 HydrophobicContact CB-CE 4.49Å; L948-M951 HydrophobicContact CD1-CE 4.29Å; L948-M951 PolarHBondContact O-N 3.38Å; L948-L952 HydrophobicContact CD1-CD1 3.98Å; L948-L952 HydrophobicContact CD1-CG 4.1Å; L948-L952 HydrophobicContact CG-CD1 3.97Å; L948-L952 HydrophobicContact CG-CG 4.46Å; L948-L952 VanDerWaalsContact O-CG 3.28Å; L948-L952 WeakPolarHBondContact O-CG 3.43Å; L948-L952 PolarHBondContact O-N 2.94Å; L948-L1077 HydrophobicContact CD2-CB 4.33Å; L948-V1081 HydrophobicContact CD1-CB 3.93Å; L948-V1081 HydrophobicContact CD1-CG1 4.02Å; L948-V1081 HydrophobicContact CD1-CG2 3.83Å
949	V	97.1	Very high	95.6	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.024	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-42.5	177	169.3	0	0	0	0	110.8	I930 I945 A946 L952 S953 V959 F961 I987	I930-V949 HydrophobicContact CD1-CG2 3.46Å; I930-V949 VanDerWaalsContact CD1-CG2 3.46Å; I945-V949 HydrophobicContact CG2-CG2 4.32Å; I945-V949 VanDerWaalsContact O-CG2 3.29Å; I945-V949 WeakPolarHBondContact O-CG2 3.48Å; I945-V949 PolarHBondContact O-N 2.84Å; A946-V949 PolarHBondContact O-N 3.48Å; V949-L952 PolarHBondContact O-N 3.3Å; V949-S953 WeakPolarHBondContact O-CB 3.47Å; V949-S953 PolarHBondContact O-N 2.88Å; V949-S953 PolarHBondContact O-OG 3Å; V949-V959 HydrophobicContact CB-CG1 4.36Å; V949-V959 HydrophobicContact CG1-CB 4.2Å; V949-V959 HydrophobicContact CG1-CG1 4Å; V949-V959 HydrophobicContact CG2-CG1 3.85Å; V949-F961 HydrophobicContact CB-CE2 4.46Å; V949-F961 HydrophobicContact CG1-CE2 4.19Å; V949-F961 HydrophobicContact CG2-CE2 3.84Å; V949-F961 HydrophobicContact CG2-CZ 3.68Å; V949-I987 HydrophobicContact CG1-CD1 3.78Å
950	K	95.6	Very high	95.9	Very high	107 Å²	107	42.3 Å²	42.3	47%	0.465	23%	0.225	S	C	.	.	H	α-helix	trans	-58.8	-51.9	175.2	-176.9	-177.4	171	-169.1	0	111.7	A946 E947 L948 L952 S953 E954	A946-K950 WeakPolarHBondContact O-CB 3.46Å; A946-K950 PolarHBondContact O-N 3.45Å; E947-K950 PolarHBondContact O-N 3.17Å; L948-K950 VanDerWaalsContact C-N 3.29Å; L948-K950 PolarHBondContact O-N 3.3Å; K950-L952 VanDerWaalsContact C-N 3.31Å; K950-L952 PolarHBondContact O-N 3.17Å; K950-S953 PolarHBondContact O-N 2.77Å; K950-E954 WeakPolarHBondContact CE-OE1 3.23Å; K950-E954 WeakPolarHBondContact O-CG 3.32Å; K950-E954 PolarHBondContact O-N 3.13Å
951	M	94.9	Very high	96.1	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.044	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-37.9	179	-70.5	-176.9	-63.4	0	0	113	E947 L948 A955 Q1078 R1082 Q1085	E947-M951 HydrophobicContact CG-CE 4.37Å; E947-M951 WeakPolarHBondContact O-CG 3.42Å; E947-M951 PolarHBondContact O-N 3.47Å; L948-M951 HydrophobicContact CB-CE 4.49Å; L948-M951 HydrophobicContact CD1-CE 4.29Å; L948-M951 PolarHBondContact O-N 3.38Å; M951-A955 PolarHBondContact O-N 3.48Å; M951-Q1078 HydrophobicContact CE-CB 4.46Å; M951-Q1078 HydrophobicContact CE-CG 3.59Å; M951-R1082 HydrophobicContact SD-CB 3.95Å; M951-R1082 HydrophobicContact SD-CG 4.36Å; M951-Q1085 PolarHBondContact O-NE2 2.59Å; M951-Q1085 VanDerWaalsContact O-NE2 3.11Å
952	L	95.6	Very high	96.2	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-72.1	-36.9	177.5	-66.4	173.4	0	0	0	111.9	I922 I928 L948 V949 K950 A955 G956 K957 V959 V1081	I922-L952 HydrophobicContact CG2-CD1 3.97Å; I922-L952 HydrophobicContact CG2-CD2 3.71Å; I928-L952 HydrophobicContact CD1-CD1 4.17Å; L948-L952 HydrophobicContact CD1-CD1 3.98Å; L948-L952 HydrophobicContact CD1-CG 4.1Å; L948-L952 HydrophobicContact CG-CD1 3.97Å; L948-L952 HydrophobicContact CG-CG 4.46Å; L948-L952 VanDerWaalsContact O-CG 3.28Å; L948-L952 WeakPolarHBondContact O-CG 3.43Å; L948-L952 PolarHBondContact O-N 2.94Å; V949-L952 PolarHBondContact O-N 3.3Å; K950-L952 VanDerWaalsContact C-N 3.31Å; K950-L952 PolarHBondContact O-N 3.17Å; L952-A955 CarbonylContact O-C 3.6Å; L952-A955 PolarHBondContact O-N 2.89Å; L952-G956 PolarHBondContact O-N 2.95Å; L952-K957 HydrophobicContact CB-CD 4.28Å; L952-K957 HydrophobicContact CD2-CD 3.87Å; L952-K957 WeakPolarHBondContact O-CB 3.45Å; L952-K957 PolarHBondContact O-N 2.89Å; L952-K957 VanDerWaalsContact O-N 3.12Å; L952-V959 HydrophobicContact CB-CG2 3.74Å; L952-V959 HydrophobicContact CD1-CG2 4.36Å; L952-V1081 HydrophobicContact CD2-CG1 4.14Å
953	S	94.6	Very high	96.3	Very high	52 Å²	52	37.4 Å²	37.4	36%	0.364	20%	0.204	S	C	.	.	H	α-helix	trans	-68.5	-39.1	176.2	-56	0	0	0	0	111.6	V949 K950 A955 G956	V949-S953 WeakPolarHBondContact O-CB 3.47Å; V949-S953 PolarHBondContact O-N 2.88Å; V949-S953 PolarHBondContact O-OG 3Å; K950-S953 PolarHBondContact O-N 2.77Å; S953-A955 PolarHBondContact O-N 3.46Å; S953-G956 PolarHBondContact O-N 3.49Å
954	E	94	Very high	96.3	Very high	135 Å²	135	32.7 Å²	32.7	63%	0.631	19%	0.185	S	C	*	.	H	α-helix	trans	-62.3	-29.4	172.4	-73.9	172.7	178.6	0	0	112.1	K950 G956	K950-E954 WeakPolarHBondContact CE-OE1 3.23Å; K950-E954 WeakPolarHBondContact O-CG 3.32Å; K950-E954 PolarHBondContact O-N 3.13Å; E954-G956 PolarHBondContact O-N 3.35Å
955	A	93.1	Very high	96	Very high	56 Å²	56	34.7 Å²	34.7	46%	0.463	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	9.2	171.3	0	0	0	0	0	114.2	M951 L952 S953 K957	M951-A955 PolarHBondContact O-N 3.48Å; L952-A955 CarbonylContact O-C 3.6Å; L952-A955 PolarHBondContact O-N 2.89Å; S953-A955 PolarHBondContact O-N 3.46Å; A955-K957 PolarHBondContact O-N 2.92Å
956	G	94.9	Very high	95.8	Very high	68 Å²	68	36 Å²	36	70%	0.701	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	13.7	176.1	0	0	0	0	0	115.1	L952 S953 E954	L952-G956 PolarHBondContact O-N 2.95Å; S953-G956 PolarHBondContact O-N 3.49Å; E954-G956 PolarHBondContact O-N 3.35Å
957	K	96.7	Very high	95.4	Very high	29 Å²	29	35.8 Å²	35.8	13%	0.126	21%	0.205	C	C	.	.			trans	-81.1	146.1	174.3	-61.8	176.4	-178.9	-72.2	0	110.5	I922 K923 A925 I928 L952 A955 V959	I922-K957 PolarHBondContact O-NZ 3.37Å; K923-K957 PolarHBondContact O-NZ 2.91Å; A925-K957 PolarHBondContact O-NZ 3.37Å; I928-K957 HydrophobicContact CD1-CD 4.28Å; L952-K957 HydrophobicContact CB-CD 4.28Å; L952-K957 HydrophobicContact CD2-CD 3.87Å; L952-K957 WeakPolarHBondContact O-CB 3.45Å; L952-K957 PolarHBondContact O-N 2.89Å; L952-K957 VanDerWaalsContact O-N 3.12Å; A955-K957 PolarHBondContact O-N 2.92Å; K957-V959 HydrophobicContact CB-CG2 4.08Å; K957-V959 PolarHBondContact O-N 3.39Å
958	K	97.6	Very high	95	Very high	109 Å²	109	33.9 Å²	33.9	47%	0.474	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	101.4	173.8	-173.1	-175.5	-175.3	-166.5	0	108.4	H926 I928 R960	H926-K958 PolarHBondContact O-N 2.96Å; I928-K958 PolarHBondContact N-O 3.46Å; K958-R960 VanDerWaalsContact CE-CZ 3.44Å
959	V	98.1	Very high	94.7	Very high	6 Å²	6	38 Å²	38	4%	0.036	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.1	-178.9	-168	0	0	0	0	110.5	I928 I930 V949 L952 K957	I928-V959 HydrophobicContact CB-CG1 4.32Å; I928-V959 HydrophobicContact CB-CG2 4.29Å; I928-V959 HydrophobicContact CD1-CG2 4.45Å; I928-V959 HydrophobicContact CG2-CG1 4.41Å; I928-V959 WeakPolarHBondContact O-CA 3.1Å; I930-V959 HydrophobicContact CD1-CG1 4.16Å; I930-V959 HydrophobicContact CG1-CG1 4.4Å; V949-V959 HydrophobicContact CB-CG1 4.36Å; V949-V959 HydrophobicContact CG1-CB 4.2Å; V949-V959 HydrophobicContact CG1-CG1 4Å; V949-V959 HydrophobicContact CG2-CG1 3.85Å; L952-V959 HydrophobicContact CB-CG2 3.74Å; L952-V959 HydrophobicContact CD1-CG2 4.36Å; K957-V959 HydrophobicContact CB-CG2 4.08Å; K957-V959 PolarHBondContact O-N 3.39Å
960	R	98.3	Very high	94.3	Very high	22 Å²	22	38 Å²	38	8%	0.083	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.2	-175.2	-61.5	175.8	-66.6	166.1	3.4	111.4	I928 I929 I930 K958 I987 I994 D997	I928-R960 PolarHBondContact O-N 3.34Å; I929-R960 CarbonylContact C-O 3.46Å; I929-R960 WeakPolarHBondContact CA-O 3.22Å; I930-R960 PolarHBondContact N-O 2.83Å; K958-R960 VanDerWaalsContact CE-CZ 3.44Å; R960-I987 CarbonylContact C-O 3.49Å; R960-I987 WeakPolarHBondContact CA-O 3.34Å; R960-I994 HydrophobicContact CB-CD1 4.4Å; R960-D997 IonicContact CZ-OD2 2.98Å; R960-D997 IonicContact NH1-OD2 3.36Å; R960-D997 PolarHBondContact NH1-OD2 3.4Å; R960-D997 IonicContact NH2-OD2 3.58Å; R960-D997 PolarHBondContact NH2-OD2 3.19Å
961	F	98.4	Very high	94	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136	173.1	-68	-94.9	0	0	0	110.6	I930 P932 I945 V949 I963 L978 V983 I987 V988 L989	I930-F961 HydrophobicContact CB-CD1 3.82Å; I930-F961 HydrophobicContact CB-CE1 3.95Å; I930-F961 HydrophobicContact CB-CG 4.49Å; I930-F961 HydrophobicContact CD1-CE1 4.13Å; I930-F961 HydrophobicContact CD1-CZ 4.19Å; I930-F961 HydrophobicContact CG2-CD1 3.94Å; I930-F961 HydrophobicContact CG2-CE1 3.82Å; I930-F961 CarbonylContact O-C 3.36Å; I930-F961 VanDerWaalsContact O-CA 3.29Å; I930-F961 WeakPolarHBondContact O-CA 3.49Å; P932-F961 HydrophobicContact CG-CD1 4.05Å; I945-F961 HydrophobicContact CG2-CE1 3.89Å; I945-F961 HydrophobicContact CG2-CZ 3.84Å; V949-F961 HydrophobicContact CB-CE2 4.46Å; V949-F961 HydrophobicContact CG1-CE2 4.19Å; V949-F961 HydrophobicContact CG2-CE2 3.84Å; V949-F961 HydrophobicContact CG2-CZ 3.68Å; F961-I963 HydrophobicContact CB-CD1 4.29Å; F961-L978 HydrophobicContact CB-CD1 4.48Å; F961-L978 HydrophobicContact CD1-CD1 3.95Å; F961-L978 HydrophobicContact CD1-CD2 4.32Å; F961-L978 HydrophobicContact CE1-CD1 4.35Å; F961-L978 HydrophobicContact CE1-CD2 3.9Å; F961-L978 HydrophobicContact CG-CD1 4.19Å; F961-L978 HydrophobicContact CZ-CD2 4.27Å; F961-V983 HydrophobicContact CD2-CG1 3.81Å; F961-V983 HydrophobicContact CE2-CB 4.46Å; F961-V983 HydrophobicContact CE2-CG1 3.47Å; F961-V983 VanDerWaalsContact CE2-CG1 3.47Å; F961-V983 HydrophobicContact CE2-CG2 4.08Å; F961-V983 HydrophobicContact CZ-CG1 4.29Å; F961-V983 HydrophobicContact CZ-CG2 4.13Å; F961-I987 HydrophobicContact CD2-CD1 4.49Å; F961-I987 HydrophobicContact CE2-CD1 4.41Å; F961-I987 PolarHBondContact N-O 2.97Å; F961-V988 HydrophobicContact CB-CB 4.49Å; F961-V988 HydrophobicContact CB-CG1 4.38Å; F961-V988 HydrophobicContact CB-CG2 4.24Å; F961-V988 HydrophobicContact CD2-CG2 4.17Å; F961-V988 HydrophobicContact CG-CG2 4.45Å; F961-L989 PolarHBondContact O-N 3.4Å
962	G	97.9	Very high	93.8	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.5	169.2	0	0	0	0	0	110.5	I930	I930-G962 PolarHBondContact O-N 3.47Å
963	I	97.3	Very high	93.6	Very high	2 Å²	2	33 Å²	33	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.7	-176.7	-52.7	-55.3	0	0	0	110	P932 F961 L974 L978 V988 L989 M991	P932-I963 HydrophobicContact CG-CD1 3.6Å; F961-I963 HydrophobicContact CB-CD1 4.29Å; I963-L974 HydrophobicContact CD1-CD2 4.09Å; I963-L974 HydrophobicContact CD1-CG 4.18Å; I963-L974 HydrophobicContact CG2-CB 4.48Å; I963-L978 HydrophobicContact CD1-CD1 3.76Å; I963-V988 HydrophobicContact CD1-CG1 4.06Å; I963-V988 HydrophobicContact CG1-CG1 3.47Å; I963-V988 VanDerWaalsContact CG1-CG1 3.47Å; I963-L989 PolarHBondContact N-O 2.95Å; I963-M991 PolarHBondContact O-N 3.45Å
964	H	95.9	Very high	93.6	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.009	18%	0.181	C	C	.	.			trans	-83.4	136.8	170.6	-169.7	-76.6	0	0	0	109.8	V966 A967 M991 T1012 M1028 P1029 L1031	H964-V966 WeakPolarHBondContact ND1-CG2 3.46Å; H964-V966 PolarHBondContact ND1-N 3.02Å; H964-V966 PolarHBondContact O-N 3.23Å; H964-A967 HydrophobicContact CB-CB 4.04Å; H964-A967 VanDerWaalsContact O-CB 3.31Å; H964-A967 WeakPolarHBondContact O-CB 3.32Å; H964-A967 PolarHBondContact O-N 2.9Å; H964-M991 VanDerWaalsContact CD2-SD 3.52Å; H964-T1012 HydrophobicContact CB-CG2 3.82Å; H964-T1012 VanDerWaalsContact CG-CG2 3.45Å; H964-M1028 VanDerWaalsContact CE1-CE 3.42Å; H964-M1028 WeakPolarHBondContact CE1-CE 3.33Å; H964-P1029 PolarHBondContact NE2-O 2.93Å; H964-L1031 HydrophobicContact CB-CD1 4.05Å
965	P	91.5	Very high	93.6	Very high	46 Å²	46	24.6 Å²	24.6	30%	0.299	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.6	-173	-28.4	34.4	0	0	0	115.6	A880 M991	A880-P965 HydrophobicContact CB-CB 3.88Å; A880-P965 HydrophobicContact CB-CG 4.35Å; P965-M991 HydrophobicContact CG-CE 4.22Å
966	V	90.9	Very high	93.7	Very high	29 Å²	29	22 Å²	22	18%	0.176	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	11.2	175.4	-56.1	0	0	0	0	115.1	M877 A880 M881 H964 G968 M1028	M877-V966 HydrophobicContact CE-CG1 4.09Å; A880-V966 HydrophobicContact CB-CG1 3.77Å; M881-V966 HydrophobicContact CG-CB 4.21Å; M881-V966 HydrophobicContact CG-CG1 3.65Å; M881-V966 HydrophobicContact CG-CG2 3.97Å; M881-V966 HydrophobicContact SD-CG1 4.15Å; H964-V966 WeakPolarHBondContact ND1-CG2 3.46Å; H964-V966 PolarHBondContact ND1-N 3.02Å; H964-V966 PolarHBondContact O-N 3.23Å; V966-G968 PolarHBondContact O-N 3.37Å; V966-G968 VanDerWaalsContact O-N 3.15Å; V966-M1028 HydrophobicContact CG2-CE 4.05Å
967	A	90.2	Very high	93.7	Very high	9 Å²	9	18.9 Å²	18.9	7%	0.074	10%	0.098	C	C	.	.			trans	-71.6	108.8	174.8	0	0	0	0	0	110.7	H964 L974	H964-A967 HydrophobicContact CB-CB 4.04Å; H964-A967 VanDerWaalsContact O-CB 3.31Å; H964-A967 WeakPolarHBondContact O-CB 3.32Å; H964-A967 PolarHBondContact O-N 2.9Å; A967-L974 HydrophobicContact CB-CD2 3.78Å
968	G	87.4	Confident	93.7	Very high	21 Å²	21	17.5 Å²	17.5	22%	0.216	9%	0.092	C	C	.	.	S	Bend	trans	134.9	-162	178	0	0	0	0	0	112.4	V966	V966-G968 PolarHBondContact O-N 3.37Å; V966-G968 VanDerWaalsContact O-N 3.15Å
969	R	89.3	Confident	93.6	Very high	86 Å²	86	12.7 Å²	12.7	33%	0.325	7%	0.073	S	C	.	.	S	Bend	trans	-114.6	7.5	174.1	-67.2	-176	174.5	-173.1	1.7	112.9	P701 L764 P833 Y934	P701-R969 HydrophobicContact CG-CB 4.11Å; L764-R969 PolarHBondContact O-NH1 2.92Å; P833-R969 VanDerWaalsContact CG-C 3.5Å; P833-R969 WeakPolarHBondContact CG-O 3.35Å; Y934-R969 HydrophobicContact CD2-CG 3.89Å; Y934-R969 HydrophobicContact CE1-CG 4.45Å; Y934-R969 HydrophobicContact CE2-CB 4.42Å; Y934-R969 HydrophobicContact CE2-CG 3.63Å; Y934-R969 HydrophobicContact CG-CG 4.4Å; Y934-R969 VanDerWaalsContact CZ-CD 3.45Å; Y934-R969 VanDerWaalsContact CZ-CZ 3.45Å; Y934-R969 WeakPolarHBondContact OH-CD 3.35Å; Y934-R969 PolarHBondContact OH-NE 3.14Å; Y934-R969 VanDerWaalsContact OH-NE 3.13Å; Y934-R969 PolarHBondContact OH-NH1 2.85Å
970	M	88.5	Confident	93.4	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.02	8%	0.084	C	C	.	.	S	Bend	trans	-160.6	148.5	176.6	176.6	179.8	-180	0	0	109.1	M529 L700 P701 V704 G972 Q973	M529-M970 HydrophobicContact CB-CE 3.32Å; M529-M970 HydrophobicContact CG-CE 3.74Å; L700-M970 HydrophobicContact CD2-CE 4.5Å; L700-M970 HydrophobicContact CD2-SD 4.06Å; L700-M970 HydrophobicContact CG-SD 4.06Å; P701-M970 HydrophobicContact CB-CB 4.22Å; P701-M970 HydrophobicContact CG-CB 3.82Å; P701-M970 HydrophobicContact CG-SD 4.45Å; V704-M970 HydrophobicContact CG1-CE 4.35Å; V704-M970 HydrophobicContact CG2-CE 3.81Å; V704-M970 HydrophobicContact CG2-SD 4.18Å; M970-G972 PolarHBondContact O-N 3.46Å; M970-Q973 HydrophobicContact CB-CB 4.15Å; M970-Q973 VanDerWaalsContact O-CB 3.26Å; M970-Q973 WeakPolarHBondContact O-CB 3.46Å; M970-Q973 PolarHBondContact O-N 3.35Å; M970-Q973 VanDerWaalsContact O-N 3.1Å
971	P	89.8	Confident	93.3	Very high	4 Å²	4	15 Å²	15	3%	0.026	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	125.6	176.1	-29.4	36.1	0	0	0	113.1	H525 S526 T837 M877 Q973	H525-P971 HydrophobicContact CB-CB 3.86Å; S526-P971 WeakPolarHBondContact CB-O 3.4Å; S526-P971 PolarHBondContact N-O 3.35Å; S526-P971 PolarHBondContact OG-O 2.84Å; T837-P971 HydrophobicContact CG2-CG 3.85Å; M877-P971 HydrophobicContact CE-CG 4.36Å; M877-P971 HydrophobicContact CG-CG 4.07Å; M877-P971 HydrophobicContact SD-CG 3.49Å; M877-P971 WeakPolarHBondContact SD-CG 3.39Å; P971-Q973 PolarHBondContact O-N 3.41Å
972	G	89.8	Confident	93.1	Very high	9 Å²	9	17.8 Å²	17.8	9%	0.093	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	10.6	178.8	0	0	0	0	0	115.1	M970 L974 N975 V976	M970-G972 PolarHBondContact O-N 3.46Å; G972-L974 VanDerWaalsContact C-N 3.25Å; G972-L974 PolarHBondContact O-N 2.95Å; G972-N975 PolarHBondContact O-N 3.48Å; G972-V976 PolarHBondContact O-N 2.89Å
973	Q	92.4	Very high	93	Very high	3 Å²	3	18.2 Å²	18.2	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-39.3	-177.7	-172.9	-177.4	18.8	0	0	111.8	S526 S698 M970 P971 N975 V976 L977	S526-Q973 PolarHBondContact OG-N 3.07Å; S698-Q973 PolarHBondContact O-NE2 3.22Å; M970-Q973 HydrophobicContact CB-CB 4.15Å; M970-Q973 VanDerWaalsContact O-CB 3.26Å; M970-Q973 WeakPolarHBondContact O-CB 3.46Å; M970-Q973 PolarHBondContact O-N 3.35Å; M970-Q973 VanDerWaalsContact O-N 3.1Å; P971-Q973 PolarHBondContact O-N 3.41Å; Q973-N975 VanDerWaalsContact C-N 3.34Å; Q973-N975 PolarHBondContact O-N 2.84Å; Q973-V976 PolarHBondContact O-N 3.24Å; Q973-L977 HydrophobicContact CG-CD1 3.84Å; Q973-L977 HydrophobicContact CG-CG 4.32Å; Q973-L977 WeakPolarHBondContact O-CG 3.43Å; Q973-L977 PolarHBondContact O-N 3.34Å
974	L	93.8	Very high	92.9	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-67.1	-36.8	-176	-163.4	52.3	0	0	0	111.7	P932 C937 I963 A967 G972 V976 L977 L978	P932-L974 HydrophobicContact CB-CD1 4.36Å; P932-L974 HydrophobicContact CB-CD2 3.95Å; P932-L974 HydrophobicContact CB-CG 4.45Å; P932-L974 HydrophobicContact CG-CD2 3.68Å; P932-L974 HydrophobicContact CG-CG 4.14Å; P932-L974 VanDerWaalsContact O-CD2 3.32Å; P932-L974 WeakPolarHBondContact O-CD2 3.47Å; C937-L974 WeakPolarHBondContact SG-CD1 3.35Å; I963-L974 HydrophobicContact CD1-CD2 4.09Å; I963-L974 HydrophobicContact CD1-CG 4.18Å; I963-L974 HydrophobicContact CG2-CB 4.48Å; A967-L974 HydrophobicContact CB-CD2 3.78Å; G972-L974 VanDerWaalsContact C-N 3.25Å; G972-L974 PolarHBondContact O-N 2.95Å; L974-V976 PolarHBondContact O-N 3.41Å; L974-L977 PolarHBondContact O-N 2.92Å; L974-L978 HydrophobicContact CG-CD1 4.46Å; L974-L978 WeakPolarHBondContact O-CB 3.44Å; L974-L978 VanDerWaalsContact O-CG 3.29Å; L974-L978 WeakPolarHBondContact O-CG 3.19Å; L974-L978 PolarHBondContact O-N 3.12Å
975	N	94.6	Very high	92.8	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.043	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-45.8	174.5	-50.9	71	0	0	0	110.8	A523 F586 G972 Q973 L978 A979 E990	A523-N975 HydrophobicContact CB-CB 4.18Å; A523-N975 WeakPolarHBondContact CB-ND2 2.94Å; F586-N975 HydrophobicContact CE1-CB 4.47Å; F586-N975 HydrophobicContact CZ-CB 4.42Å; G972-N975 PolarHBondContact O-N 3.48Å; Q973-N975 VanDerWaalsContact C-N 3.34Å; Q973-N975 PolarHBondContact O-N 2.84Å; N975-L978 PolarHBondContact O-N 3.08Å; N975-A979 WeakPolarHBondContact O-CB 3.42Å; N975-A979 PolarHBondContact O-N 3.02Å; N975-E990 PolarHBondContact ND2-OE1 3.28Å
976	V	94.6	Very high	92.8	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-40.6	178.6	-172.7	0	0	0	0	111.5	M582 M585 F586 I697 G972 Q973 L974 A979 E980	M582-V976 HydrophobicContact CB-CG1 4.2Å; M582-V976 HydrophobicContact CG-CG1 3.96Å; M582-V976 HydrophobicContact SD-CG1 4.31Å; M585-V976 HydrophobicContact SD-CG1 4.37Å; F586-V976 HydrophobicContact CE2-CG2 4.02Å; F586-V976 HydrophobicContact CZ-CB 4.47Å; F586-V976 HydrophobicContact CZ-CG2 3.94Å; I697-V976 HydrophobicContact CG2-CB 4.46Å; I697-V976 HydrophobicContact CG2-CG1 3.67Å; G972-V976 PolarHBondContact O-N 2.89Å; Q973-V976 PolarHBondContact O-N 3.24Å; L974-V976 PolarHBondContact O-N 3.41Å; V976-A979 PolarHBondContact O-N 2.88Å; V976-E980 WeakPolarHBondContact O-CB 3.29Å; V976-E980 PolarHBondContact O-N 3.11Å
977	L	95.3	Very high	93.1	Very high	3 Å²	3	26 Å²	26	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-69.6	-32	179.5	-69.1	172	0	0	0	112.8	I697 C937 Q973 L974 E980 A981	I697-L977 HydrophobicContact CB-CD2 4.22Å; I697-L977 HydrophobicContact CG2-CD2 3.9Å; C937-L977 HydrophobicContact CB-CD1 3.69Å; C937-L977 WeakPolarHBondContact SG-CD1 3.3Å; Q973-L977 HydrophobicContact CG-CD1 3.84Å; Q973-L977 HydrophobicContact CG-CG 4.32Å; Q973-L977 WeakPolarHBondContact O-CG 3.43Å; Q973-L977 PolarHBondContact O-N 3.34Å; L974-L977 PolarHBondContact O-N 2.92Å; L977-E980 WeakPolarHBondContact CD2-OE2 3.23Å; L977-A981 PolarHBondContact O-N 3.31Å
978	L	96.1	Very high	93.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-71.9	-40.5	171.6	-69.1	174	0	0	0	111.3	P932 Q942 F961 I963 L974 N975 E980 A981 G982 V983 V988	P932-L978 HydrophobicContact CG-CD1 4.27Å; Q942-L978 HydrophobicContact CB-CD2 4.48Å; F961-L978 HydrophobicContact CB-CD1 4.48Å; F961-L978 HydrophobicContact CD1-CD1 3.95Å; F961-L978 HydrophobicContact CD1-CD2 4.32Å; F961-L978 HydrophobicContact CE1-CD1 4.35Å; F961-L978 HydrophobicContact CE1-CD2 3.9Å; F961-L978 HydrophobicContact CG-CD1 4.19Å; F961-L978 HydrophobicContact CZ-CD2 4.27Å; I963-L978 HydrophobicContact CD1-CD1 3.76Å; L974-L978 HydrophobicContact CG-CD1 4.46Å; L974-L978 WeakPolarHBondContact O-CB 3.44Å; L974-L978 VanDerWaalsContact O-CG 3.29Å; L974-L978 WeakPolarHBondContact O-CG 3.19Å; L974-L978 PolarHBondContact O-N 3.12Å; N975-L978 PolarHBondContact O-N 3.08Å; L978-E980 VanDerWaalsContact C-N 3.34Å; L978-A981 CarbonylContact O-C 3.5Å; L978-A981 WeakPolarHBondContact O-CB 3.39Å; L978-A981 PolarHBondContact O-N 3.39Å; L978-A981 VanDerWaalsContact O-N 3.12Å; L978-G982 PolarHBondContact O-N 3.17Å; L978-V983 HydrophobicContact CB-CB 4.12Å; L978-V983 HydrophobicContact CB-CG2 4.23Å; L978-V983 HydrophobicContact CD2-CG2 4.31Å; L978-V983 WeakPolarHBondContact O-CB 3.2Å; L978-V983 WeakPolarHBondContact O-CG2 3.34Å; L978-V983 PolarHBondContact O-N 3.15Å; L978-V988 HydrophobicContact CD1-CG1 4.35Å; L978-V988 HydrophobicContact CD1-CG2 4.38Å
979	A	95.3	Very high	93.9	Very high	9 Å²	9	27 Å²	27	7%	0.074	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-42.2	173.4	0	0	0	0	0	111.7	M585 F586 N975 V976 A981 G982	M585-A979 HydrophobicContact CB-CB 4.29Å; F586-A979 HydrophobicContact CD1-CB 3.64Å; F586-A979 HydrophobicContact CD2-CB 4.48Å; F586-A979 HydrophobicContact CE1-CB 3.74Å; F586-A979 HydrophobicContact CG-CB 4.04Å; F586-A979 HydrophobicContact CZ-CB 4.22Å; N975-A979 WeakPolarHBondContact O-CB 3.42Å; N975-A979 PolarHBondContact O-N 3.02Å; V976-A979 PolarHBondContact O-N 2.88Å; A979-A981 PolarHBondContact O-N 3.49Å; A979-G982 WeakPolarHBondContact O-CA 3.39Å; A979-G982 PolarHBondContact O-N 2.65Å
980	E	94.9	Very high	94.2	Very high	58 Å²	58	24.2 Å²	24.2	27%	0.271	15%	0.145	S	C	.	.	H	α-helix	trans	-57.6	-37.7	172.4	-177.5	-177.4	-150.5	0	0	112	M585 V976 L977 L978 G982	M585-E980 HydrophobicContact CE-CG 4.48Å; M585-E980 HydrophobicContact SD-CB 3.91Å; M585-E980 HydrophobicContact SD-CG 4.21Å; V976-E980 WeakPolarHBondContact O-CB 3.29Å; V976-E980 PolarHBondContact O-N 3.11Å; L977-E980 WeakPolarHBondContact CD2-OE2 3.23Å; L978-E980 VanDerWaalsContact C-N 3.34Å; E980-G982 PolarHBondContact O-N 3.45Å
981	A	95.3	Very high	94.5	Very high	17 Å²	17	24.6 Å²	24.6	14%	0.14	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-5.5	175.8	0	0	0	0	0	113.9	Q942 Y943 A946 L977 L978 A979	Q942-A981 HydrophobicContact CB-CB 3.91Å; Q942-A981 HydrophobicContact CG-CB 3.71Å; Y943-A981 HydrophobicContact CD1-CB 4.18Å; Y943-A981 HydrophobicContact CE1-CB 4.47Å; A946-A981 HydrophobicContact CB-CB 3.92Å; A946-A981 VanDerWaalsContact CB-O 3.27Å; A946-A981 WeakPolarHBondContact CB-O 3.22Å; L977-A981 PolarHBondContact O-N 3.31Å; L978-A981 CarbonylContact O-C 3.5Å; L978-A981 WeakPolarHBondContact O-CB 3.39Å; L978-A981 PolarHBondContact O-N 3.39Å; L978-A981 VanDerWaalsContact O-N 3.12Å; A979-A981 PolarHBondContact O-N 3.49Å
982	G	94.8	Very high	94.6	Very high	59 Å²	59	32.8 Å²	32.8	61%	0.608	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.2	16.7	179.9	0	0	0	0	0	114.5	L978 A979 E980 P984	L978-G982 PolarHBondContact O-N 3.17Å; A979-G982 WeakPolarHBondContact O-CA 3.39Å; A979-G982 PolarHBondContact O-N 2.65Å; E980-G982 PolarHBondContact O-N 3.45Å; G982-P984 WeakPolarHBondContact O-CD 3.38Å
983	V	96.3	Very high	94.9	Very high	10 Å²	10	38.1 Å²	38.1	6%	0.061	21%	0.208	C	C	.	.			trans	-75	125	174.9	-178.7	0	0	0	0	109.6	A946 F961 L978 I987 V988	A946-V983 HydrophobicContact CB-CG2 3.64Å; F961-V983 HydrophobicContact CD2-CG1 3.81Å; F961-V983 HydrophobicContact CE2-CB 4.46Å; F961-V983 HydrophobicContact CE2-CG1 3.47Å; F961-V983 VanDerWaalsContact CE2-CG1 3.47Å; F961-V983 HydrophobicContact CE2-CG2 4.08Å; F961-V983 HydrophobicContact CZ-CG1 4.29Å; F961-V983 HydrophobicContact CZ-CG2 4.13Å; L978-V983 HydrophobicContact CB-CB 4.12Å; L978-V983 HydrophobicContact CB-CG2 4.23Å; L978-V983 HydrophobicContact CD2-CG2 4.31Å; L978-V983 WeakPolarHBondContact O-CB 3.2Å; L978-V983 WeakPolarHBondContact O-CG2 3.34Å; L978-V983 PolarHBondContact O-N 3.15Å; V983-I987 HydrophobicContact CG1-CD1 3.98Å; V983-I987 HydrophobicContact CG1-CG1 4Å; V983-V988 HydrophobicContact CG1-CG2 3.66Å
984	P	94.6	Very high	95.1	Very high	54 Å²	54	38 Å²	38	35%	0.351	21%	0.207	S	C	.	.			trans	-60.5	137.1	173.2	-24.6	36.2	0	0	0	112	G982 D986 I987	G982-P984 WeakPolarHBondContact O-CD 3.38Å; P984-D986 VanDerWaalsContact C-N 3.25Å; P984-D986 WeakPolarHBondContact CB-OD1 3.5Å; P984-D986 PolarHBondContact O-N 3.03Å; P984-I987 HydrophobicContact CB-CG1 4.39Å; P984-I987 WeakPolarHBondContact O-CG1 3.45Å; P984-I987 PolarHBondContact O-N 3.15Å
985	Y	92.6	Very high	95.2	Very high	63 Å²	63	39.2 Å²	39.2	25%	0.247	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-69.6	-19.6	-174.9	65.2	-99	0	0	0	113.9	R588 Q642 I987 V988	R588-Y985 HydrophobicContact CG-CD1 4.29Å; R588-Y985 HydrophobicContact CG-CE1 4.05Å; R588-Y985 PolarHBondContact NH2-OH 2.87Å; Q642-Y985 HydrophobicContact CB-CE2 4.39Å; Q642-Y985 HydrophobicContact CG-CD1 4Å; Q642-Y985 HydrophobicContact CG-CD2 4.42Å; Q642-Y985 HydrophobicContact CG-CE1 3.95Å; Q642-Y985 HydrophobicContact CG-CE2 4.39Å; Q642-Y985 HydrophobicContact CG-CG 4.25Å; Y985-I987 VanDerWaalsContact C-N 3.32Å; Y985-V988 PolarHBondContact O-N 3.36Å
986	D	93.4	Very high	95.3	Very high	86 Å²	86	47 Å²	47	46%	0.46	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-75.4	-18.8	-178.7	49.1	2.9	0	0	0	113.7	R588 P984	R588-D986 IonicContact NH1-OD2 2.92Å; R588-D986 PolarHBondContact NH1-OD2 2.98Å; R588-D986 VanDerWaalsContact NH1-OD2 3.15Å; P984-D986 VanDerWaalsContact C-N 3.25Å; P984-D986 WeakPolarHBondContact CB-OD1 3.5Å; P984-D986 PolarHBondContact O-N 3.03Å
987	I	96.3	Very high	95.5	Very high	38 Å²	38	49.5 Å²	49.5	20%	0.195	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-97.8	4.2	171.8	64.4	166.6	0	0	0	112.7	V949 R960 F961 V983 P984 Y985	V949-I987 HydrophobicContact CG1-CD1 3.78Å; R960-I987 CarbonylContact C-O 3.49Å; R960-I987 WeakPolarHBondContact CA-O 3.34Å; F961-I987 HydrophobicContact CD2-CD1 4.49Å; F961-I987 HydrophobicContact CE2-CD1 4.41Å; F961-I987 PolarHBondContact N-O 2.97Å; V983-I987 HydrophobicContact CG1-CD1 3.98Å; V983-I987 HydrophobicContact CG1-CG1 4Å; P984-I987 HydrophobicContact CB-CG1 4.39Å; P984-I987 WeakPolarHBondContact O-CG1 3.45Å; P984-I987 PolarHBondContact O-N 3.15Å; Y985-I987 VanDerWaalsContact C-N 3.32Å
988	V	97	Very high	95.6	Very high	18 Å²	18	49.3 Å²	49.3	11%	0.109	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	105.5	176	-177.1	0	0	0	0	108.3	F961 I963 L978 V983 Y985	F961-V988 HydrophobicContact CB-CB 4.49Å; F961-V988 HydrophobicContact CB-CG1 4.38Å; F961-V988 HydrophobicContact CB-CG2 4.24Å; F961-V988 HydrophobicContact CD2-CG2 4.17Å; F961-V988 HydrophobicContact CG-CG2 4.45Å; I963-V988 HydrophobicContact CD1-CG1 4.06Å; I963-V988 HydrophobicContact CG1-CG1 3.47Å; I963-V988 VanDerWaalsContact CG1-CG1 3.47Å; L978-V988 HydrophobicContact CD1-CG1 4.35Å; L978-V988 HydrophobicContact CD1-CG2 4.38Å; V983-V988 HydrophobicContact CG1-CG2 3.66Å; Y985-V988 PolarHBondContact O-N 3.36Å
989	L	97.3	Very high	95.7	Very high	35 Å²	35	52.2 Å²	52.2	18%	0.183	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	146.3	-174.5	-59.2	176.3	0	0	0	110.8	F961 I963 E993 I994	F961-L989 PolarHBondContact O-N 3.4Å; I963-L989 PolarHBondContact N-O 2.95Å; L989-E993 HydrophobicContact CB-CB 4.3Å; L989-I994 HydrophobicContact CB-CB 4.09Å; L989-I994 HydrophobicContact CB-CD1 4.24Å; L989-I994 HydrophobicContact CD1-CB 4.35Å; L989-I994 HydrophobicContact CD1-CD1 4.11Å; L989-I994 HydrophobicContact CD1-CG1 4.15Å
990	E	95.4	Very high	95.7	Very high	26 Å²	26	58.7 Å²	58.7	12%	0.121	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	159.7	173.8	-60.2	-59.9	151	0	0	110.7	P522 N975 E992 E993 I994	P522-E990 HydrophobicContact CB-CG 4.05Å; P522-E990 HydrophobicContact CG-CG 4.45Å; N975-E990 PolarHBondContact ND2-OE1 3.28Å; E990-E992 VanDerWaalsContact C-N 3.3Å; E990-E992 PolarHBondContact O-N 3.41Å; E990-E993 HydrophobicContact CB-CG 4.39Å; E990-E993 PolarHBondContact N-OE2 2.91Å; E990-E993 WeakPolarHBondContact O-CB 3.2Å; E990-E993 PolarHBondContact O-N 3.4Å; E990-I994 PolarHBondContact O-N 3.25Å
991	M	95.2	Very high	95.8	Very high	12 Å²	12	56 Å²	56	6%	0.059	30%	0.297	C	S	.	.	H	α-helix	trans	-53.4	-41.8	-175.1	176.4	179.8	71.7	0	0	114	I963 H964 P965 E993 I994 N995 P1029 L1031	I963-M991 PolarHBondContact O-N 3.45Å; H964-M991 VanDerWaalsContact CD2-SD 3.52Å; P965-M991 HydrophobicContact CG-CE 4.22Å; M991-E993 VanDerWaalsContact C-N 3.27Å; M991-E993 PolarHBondContact O-N 2.94Å; M991-I994 PolarHBondContact O-N 3.1Å; M991-N995 WeakPolarHBondContact CG-ND2 3.39Å; M991-N995 WeakPolarHBondContact O-CB 3.46Å; M991-N995 PolarHBondContact O-N 2.92Å; M991-N995 VanDerWaalsContact O-N 3.1Å; M991-P1029 HydrophobicContact CE-CB 3.49Å; M991-P1029 VanDerWaalsContact CE-CB 3.49Å; M991-P1029 HydrophobicContact SD-CB 4.16Å; M991-L1031 HydrophobicContact CB-CD2 4Å; M991-L1031 HydrophobicContact CG-CD2 3.84Å; M991-L1031 HydrophobicContact CG-CG 4.24Å
992	E	92	Very high	95.9	Very high	177 Å²	177	56.7 Å²	56.7	83%	0.827	30%	0.299	S	S	*	.	H	α-helix	trans	-67.5	-28.4	179.4	-66.5	-175.6	176.1	0	0	112.6	E990	E990-E992 VanDerWaalsContact C-N 3.3Å; E990-E992 PolarHBondContact O-N 3.41Å
993	E	95.4	Very high	96.1	Very high	120 Å²	120	54 Å²	54	56%	0.561	27%	0.27	S	S	*	.	H	α-helix	trans	-82	-23.3	-178.1	-57.2	175	142.3	0	0	112.5	L989 E990 M991	L989-E993 HydrophobicContact CB-CB 4.3Å; E990-E993 HydrophobicContact CB-CG 4.39Å; E990-E993 PolarHBondContact N-OE2 2.91Å; E990-E993 WeakPolarHBondContact O-CB 3.2Å; E990-E993 PolarHBondContact O-N 3.4Å; M991-E993 VanDerWaalsContact C-N 3.27Å; M991-E993 PolarHBondContact O-N 2.94Å
994	I	97.2	Very high	96.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-113.8	-15.8	-170.7	-155.3	171.8	0	0	0	114.4	I929 R960 L989 E990 M991 E996 D997 F998 L1031	I929-I994 HydrophobicContact CD1-CD1 3.91Å; I929-I994 HydrophobicContact CD1-CG1 3.93Å; I929-I994 HydrophobicContact CG1-CD1 4.1Å; I929-I994 HydrophobicContact CG2-CD1 3.7Å; R960-I994 HydrophobicContact CB-CD1 4.4Å; L989-I994 HydrophobicContact CB-CB 4.09Å; L989-I994 HydrophobicContact CB-CD1 4.24Å; L989-I994 HydrophobicContact CD1-CB 4.35Å; L989-I994 HydrophobicContact CD1-CD1 4.11Å; L989-I994 HydrophobicContact CD1-CG1 4.15Å; E990-I994 PolarHBondContact O-N 3.25Å; M991-I994 PolarHBondContact O-N 3.1Å; I994-E996 VanDerWaalsContact C-N 3.32Å; I994-E996 PolarHBondContact O-N 3.47Å; I994-D997 WeakPolarHBondContact O-CB 3.48Å; I994-D997 PolarHBondContact O-N 3.25Å; I994-D997 VanDerWaalsContact O-N 3.1Å; I994-F998 HydrophobicContact CG2-CE2 4.38Å; I994-L1031 HydrophobicContact CG2-CD2 3.9Å
995	N	96.8	Very high	96.4	Very high	29 Å²	29	51 Å²	51	16%	0.155	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-62.2	-36.4	-173.9	-101.3	-13.1	0	0	0	113.4	M991 D997 F998 V1030 L1031 E1032	M991-N995 WeakPolarHBondContact CG-ND2 3.39Å; M991-N995 WeakPolarHBondContact O-CB 3.46Å; M991-N995 PolarHBondContact O-N 2.92Å; M991-N995 VanDerWaalsContact O-N 3.1Å; N995-D997 PolarHBondContact O-N 3.45Å; N995-F998 WeakPolarHBondContact O-CD2 3.42Å; N995-F998 PolarHBondContact O-N 3.28Å; N995-F998 VanDerWaalsContact OD1-CE2 3.29Å; N995-F998 WeakPolarHBondContact OD1-CE2 3.38Å; N995-V1030 PolarHBondContact ND2-O 3.44Å; N995-L1031 WeakPolarHBondContact OD1-CA 3.39Å; N995-E1032 PolarHBondContact OD1-N 2.97Å
996	E	96.7	Very high	96.7	Very high	173 Å²	173	48 Å²	48	81%	0.808	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-68.8	-16.1	178.8	-62.9	-169.2	166	0	0	113.3	I994 P999	I994-E996 VanDerWaalsContact C-N 3.32Å; I994-E996 PolarHBondContact O-N 3.47Å; E996-P999 WeakPolarHBondContact O-CD 3.24Å
997	D	97.4	Very high	96.9	Very high	52 Å²	52	43.9 Å²	43.9	28%	0.278	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-88.7	-13.2	-177.3	-75.6	0.5	0	0	0	113.9	I929 R960 I994 N995 E1000 T1001	I929-D997 HydrophobicContact CD1-CB 4.46Å; R960-D997 IonicContact CZ-OD2 2.98Å; R960-D997 IonicContact NH1-OD2 3.36Å; R960-D997 PolarHBondContact NH1-OD2 3.4Å; R960-D997 IonicContact NH2-OD2 3.58Å; R960-D997 PolarHBondContact NH2-OD2 3.19Å; I994-D997 WeakPolarHBondContact O-CB 3.48Å; I994-D997 PolarHBondContact O-N 3.25Å; I994-D997 VanDerWaalsContact O-N 3.1Å; N995-D997 PolarHBondContact O-N 3.45Å; D997-E1000 PolarHBondContact O-N 2.87Å; D997-T1001 PolarHBondContact O-N 3.11Å; D997-T1001 PolarHBondContact O-OG1 3.35Å
998	F	98	Very high	96.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58.7	-41.7	-177.6	-78.6	-65.7	0	0	0	114.1	I929 T931 I994 N995 E1000 T1001 V1004 L1031 E1032 V1033 K1035 A1036	I929-F998 HydrophobicContact CB-CE1 4.21Å; I929-F998 HydrophobicContact CD1-CD1 4Å; I929-F998 HydrophobicContact CD1-CE1 3.97Å; I929-F998 HydrophobicContact CG2-CE1 3.81Å; I929-F998 HydrophobicContact CG2-CZ 4.14Å; T931-F998 HydrophobicContact CG2-CE1 4.34Å; T931-F998 HydrophobicContact CG2-CZ 4.03Å; I994-F998 HydrophobicContact CG2-CE2 4.38Å; N995-F998 WeakPolarHBondContact O-CD2 3.42Å; N995-F998 PolarHBondContact O-N 3.28Å; N995-F998 VanDerWaalsContact OD1-CE2 3.29Å; N995-F998 WeakPolarHBondContact OD1-CE2 3.38Å; F998-E1000 PolarHBondContact O-N 3.14Å; F998-T1001 WeakPolarHBondContact O-CB 3.34Å; F998-T1001 PolarHBondContact O-N 2.99Å; F998-V1004 HydrophobicContact CD1-CG2 3.73Å; F998-V1004 HydrophobicContact CE1-CG1 4.18Å; F998-V1004 HydrophobicContact CE1-CG2 3.78Å; F998-L1031 HydrophobicContact CE2-CB 4.25Å; F998-L1031 HydrophobicContact CE2-CD2 3.99Å; F998-L1031 HydrophobicContact CZ-CB 4.23Å; F998-L1031 HydrophobicContact CZ-CD2 4.12Å; F998-E1032 HydrophobicContact CD2-CB 4.43Å; F998-V1033 HydrophobicContact CE1-CB 4.42Å; F998-V1033 HydrophobicContact CE1-CG1 3.92Å; F998-V1033 HydrophobicContact CZ-CG1 3.98Å; F998-K1035 HydrophobicContact CB-CB 4.1Å; F998-A1036 VanDerWaalsContact O-CA 3.26Å; F998-A1036 WeakPolarHBondContact O-CA 3.45Å
999	P	97.5	Very high	96.6	Very high	61 Å²	61	43 Å²	43	40%	0.396	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-58.1	-32.8	177.2	-25.3	35.2	0	0	0	114.4	E996 T1001 K1035	E996-P999 WeakPolarHBondContact O-CD 3.24Å; P999-T1001 VanDerWaalsContact C-N 3.31Å; P999-K1035 HydrophobicContact CG-CB 4.21Å; P999-K1035 HydrophobicContact CG-CD 4.31Å
1000	E	95.5	Very high	96.4	Very high	145 Å²	145	42.1 Å²	42.1	68%	0.678	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-91.5	8.7	179.9	-59.5	-58.8	142	0	0	112.6	N927 D997 F998	N927-E1000 PolarHBondContact ND2-O 2.86Å; D997-E1000 PolarHBondContact O-N 2.87Å; F998-E1000 PolarHBondContact O-N 3.14Å
1001	T	97.8	Very high	96.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.			trans	-97.6	129.9	-176.9	-62.5	0	0	0	0	111.4	N927 I929 D997 F998 P999 L1003 V1004 A1036 K1037	N927-T1001 WeakPolarHBondContact ND2-CA 3.49Å; N927-T1001 PolarHBondContact ND2-OG1 3.3Å; N927-T1001 WeakPolarHBondContact O-CG2 3.48Å; I929-T1001 HydrophobicContact CB-CG2 4.17Å; I929-T1001 HydrophobicContact CD1-CG2 3.89Å; I929-T1001 WeakPolarHBondContact CD1-OG1 3.23Å; I929-T1001 HydrophobicContact CG1-CG2 3.8Å; D997-T1001 PolarHBondContact O-N 3.11Å; D997-T1001 PolarHBondContact O-OG1 3.35Å; F998-T1001 WeakPolarHBondContact O-CB 3.34Å; F998-T1001 PolarHBondContact O-N 2.99Å; P999-T1001 VanDerWaalsContact C-N 3.31Å; T1001-L1003 WeakPolarHBondContact CG2-O 3.48Å; T1001-V1004 HydrophobicContact CG2-CG2 3.96Å; T1001-A1036 HydrophobicContact CG2-CB 4.5Å; T1001-K1037 PolarHBondContact O-N 3.22Å; T1001-K1037 VanDerWaalsContact O-N 3.07Å
1002	D	97.8	Very high	96.2	Very high	33 Å²	33	42.2 Å²	42.2	18%	0.176	22%	0.218	C	C	.	.	S	Bend	trans	-74.7	-42.4	-178.2	-59.8	-44.1	0	0	0	111.7	A925 H926 N927 K1037 Q1038	A925-D1002 HydrophobicContact CB-CB 3.85Å; H926-D1002 PolarHBondContact N-OD2 3.48Å; N927-D1002 PolarHBondContact N-OD2 3.33Å; N927-D1002 PolarHBondContact O-N 3.33Å; D1002-K1037 IonicContact OD1-NZ 3.51Å; D1002-K1037 PolarHBondContact OD1-NZ 3.36Å; D1002-Q1038 PolarHBondContact O-N 3.08Å
1003	L	98.4	Very high	96.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	132.5	-175.4	-177.4	64.7	0	0	0	111.9	I922 A925 N927 I928 I929 T1001 L1005 Q1038 I1040	I922-L1003 HydrophobicContact CB-CD2 4.33Å; I922-L1003 HydrophobicContact CG1-CD2 3.64Å; A925-L1003 HydrophobicContact CB-CB 3.61Å; A925-L1003 HydrophobicContact CB-CD2 4.15Å; N927-L1003 PolarHBondContact O-N 2.94Å; I928-L1003 VanDerWaalsContact CA-O 3.29Å; I928-L1003 WeakPolarHBondContact CA-O 3.33Å; I928-L1003 HydrophobicContact CG1-CB 4.35Å; I929-L1003 PolarHBondContact N-O 3.43Å; T1001-L1003 WeakPolarHBondContact CG2-O 3.48Å; L1003-L1005 HydrophobicContact CD1-CD2 4.48Å; L1003-L1005 HydrophobicContact CD2-CD2 4.04Å; L1003-L1005 HydrophobicContact CG-CD2 4.13Å; L1003-Q1038 CarbonylContact C-O 3.38Å; L1003-Q1038 WeakPolarHBondContact CA-O 3.44Å; L1003-Q1038 HydrophobicContact CD1-CB 4.02Å; L1003-Q1038 HydrophobicContact CD1-CG 3.87Å; L1003-I1040 HydrophobicContact CD1-CD1 3.85Å; L1003-I1040 HydrophobicContact CD1-CG1 3.93Å
1004	V	98.8	Very high	96.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127	170.3	-178.3	0	0	0	0	110.4	I929 T931 F998 T1001 V1006 V1033 A1036 Q1038 V1039 I1040	I929-V1004 HydrophobicContact CB-CG2 4.39Å; I929-V1004 CarbonylContact O-C 3.59Å; I929-V1004 VanDerWaalsContact O-CA 3.24Å; I929-V1004 WeakPolarHBondContact O-CA 3.47Å; T931-V1004 HydrophobicContact CG2-CG1 4.2Å; F998-V1004 HydrophobicContact CD1-CG2 3.73Å; F998-V1004 HydrophobicContact CE1-CG1 4.18Å; F998-V1004 HydrophobicContact CE1-CG2 3.78Å; T1001-V1004 HydrophobicContact CG2-CG2 3.96Å; V1004-V1006 HydrophobicContact CG1-CG2 4.11Å; V1004-V1033 HydrophobicContact CG1-CB 3.93Å; V1004-V1033 HydrophobicContact CG1-CG1 3.8Å; V1004-A1036 HydrophobicContact CB-CB 4.44Å; V1004-A1036 HydrophobicContact CG2-CB 3.39Å; V1004-Q1038 PolarHBondContact N-O 3.16Å; V1004-V1039 HydrophobicContact CB-CG1 4.49Å; V1004-V1039 HydrophobicContact CB-CG2 4.39Å; V1004-V1039 CarbonylContact O-C 3.52Å; V1004-V1039 WeakPolarHBondContact O-CA 3.21Å; V1004-I1040 PolarHBondContact O-N 2.88Å
1005	L	98.6	Very high	96.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	105.3	172.7	-57.4	-177.6	0	0	0	109.7	I922 I928 I929 I930 T931 L1003 I1007 I1040	I922-L1005 HydrophobicContact CD1-CD1 4.42Å; I928-L1005 HydrophobicContact CG2-CD1 4.42Å; I928-L1005 HydrophobicContact CG2-CG 4.33Å; I929-L1005 PolarHBondContact O-N 3.33Å; I930-L1005 CarbonylContact C-O 3.41Å; I930-L1005 WeakPolarHBondContact CA-O 3.43Å; I930-L1005 HydrophobicContact CD1-CD1 4.49Å; I930-L1005 HydrophobicContact CG1-CB 4.27Å; I930-L1005 HydrophobicContact CG1-CD1 4.35Å; I930-L1005 HydrophobicContact CG2-CB 4.5Å; T931-L1005 PolarHBondContact N-O 2.61Å; L1003-L1005 HydrophobicContact CD1-CD2 4.48Å; L1003-L1005 HydrophobicContact CD2-CD2 4.04Å; L1003-L1005 HydrophobicContact CG-CD2 4.13Å; L1005-I1007 HydrophobicContact CB-CD1 4.46Å; L1005-I1007 HydrophobicContact CB-CG1 4.35Å; L1005-I1040 HydrophobicContact CD2-CB 3.88Å; L1005-I1040 HydrophobicContact CD2-CD1 4.14Å; L1005-I1040 HydrophobicContact CD2-CG1 4.39Å; L1005-I1040 HydrophobicContact CD2-CG2 4.48Å
1006	V	98.4	Very high	96	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	111.3	175.6	-175.8	0	0	0	0	108.7	T931 V1004 A1009 V1013 V1033 V1039 I1040 V1041 M1042	T931-V1006 WeakPolarHBondContact OG1-CA 3.39Å; T931-V1006 WeakPolarHBondContact OG1-CG2 3.36Å; V1004-V1006 HydrophobicContact CG1-CG2 4.11Å; V1006-A1009 HydrophobicContact CG1-CB 3.94Å; V1006-V1013 HydrophobicContact CG1-CG1 4.19Å; V1006-V1013 HydrophobicContact CG1-CG2 3.94Å; V1006-V1033 HydrophobicContact CG2-CB 4.4Å; V1006-V1033 HydrophobicContact CG2-CG1 4.28Å; V1006-V1033 HydrophobicContact CG2-CG2 4.2Å; V1006-V1039 HydrophobicContact CG2-CG1 3.7Å; V1006-I1040 PolarHBondContact N-O 3.15Å; V1006-V1041 HydrophobicContact CB-CB 4.48Å; V1006-V1041 HydrophobicContact CB-CG1 4.49Å; V1006-V1041 HydrophobicContact CB-CG2 4.1Å; V1006-V1041 HydrophobicContact CG1-CG1 4.48Å; V1006-V1041 HydrophobicContact CG2-CG2 4.22Å; V1006-M1042 PolarHBondContact O-N 3.42Å
1007	I	97.3	Very high	95.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	103.1	-172.4	-44.1	-179.5	0	0	0	111	I930 T931 G933 L936 I945 L1005 A1009 M1042 A1070	I930-I1007 HydrophobicContact CG2-CD1 3.82Å; I930-I1007 HydrophobicContact CG2-CG1 4.25Å; T931-I1007 PolarHBondContact O-N 3.45Å; T931-I1007 VanDerWaalsContact O-N 3.09Å; G933-I1007 PolarHBondContact N-O 3.35Å; L936-I1007 HydrophobicContact CB-CB 4.48Å; L936-I1007 HydrophobicContact CB-CG2 4.06Å; L936-I1007 HydrophobicContact CD1-CB 3.94Å; L936-I1007 HydrophobicContact CD1-CD1 4.11Å; L936-I1007 HydrophobicContact CD1-CG2 3.84Å; L936-I1007 HydrophobicContact CG-CG2 4.39Å; I945-I1007 HydrophobicContact CD1-CD1 3.56Å; I945-I1007 HydrophobicContact CG1-CD1 3.98Å; L1005-I1007 HydrophobicContact CB-CD1 4.46Å; L1005-I1007 HydrophobicContact CB-CG1 4.35Å; I1007-A1009 PolarHBondContact O-N 3.12Å; I1007-M1042 HydrophobicContact CD1-SD 4.12Å; I1007-M1042 HydrophobicContact CG1-SD 3.89Å; I1007-M1042 HydrophobicContact CG2-CB 4.34Å; I1007-M1042 HydrophobicContact CG2-SD 4.47Å; I1007-A1070 HydrophobicContact CG2-CB 4.49Å
1008	G	92.8	Very high	95.5	Very high	28 Å²	28	18.8 Å²	18.8	29%	0.289	11%	0.107	S	C	.	.	S	Bend	trans	67.2	21.4	176.3	0	0	0	0	0	114.7	G933 G935 M1042	G933-G1008 WeakPolarHBondContact CA-O 3.38Å; G935-G1008 PolarHBondContact N-O 3.18Å; G1008-M1042 PolarHBondContact N-O 3.49Å
1009	A	93.8	Very high	95	Very high	9 Å²	9	22.4 Å²	22.4	7%	0.074	12%	0.124	C	C	.	.			trans	-106.7	152	169.7	0	0	0	0	0	110.5	V1006 I1007	V1006-A1009 HydrophobicContact CG1-CB 3.94Å; I1007-A1009 PolarHBondContact O-N 3.12Å
1010	N	92.7	Very high	94.6	Very high	17 Å²	17	20 Å²	20	9%	0.091	11%	0.107	C	C	.	.	S	Bend	trans	-141.9	-68.4	174.9	-170.5	12.7	0	0	0	111.3	T1012 V1013 N1014 G1049 N1055 F1058	N1010-T1012 VanDerWaalsContact C-N 3.29Å; N1010-T1012 PolarHBondContact O-N 2.99Å; N1010-V1013 WeakPolarHBondContact O-CG2 3.48Å; N1010-V1013 PolarHBondContact O-N 3.48Å; N1010-N1014 PolarHBondContact O-N 3.43Å; N1010-G1049 VanDerWaalsContact ND2-CA 3.28Å; N1010-G1049 WeakPolarHBondContact ND2-CA 3.3Å; N1010-G1049 PolarHBondContact ND2-N 2.89Å; N1010-N1055 PolarHBondContact O-ND2 2.77Å; N1010-N1055 VanDerWaalsContact OD1-CB 3.31Å; N1010-N1055 WeakPolarHBondContact OD1-CB 3.46Å; N1010-N1055 PolarHBondContact OD1-ND2 3.35Å; N1010-F1058 VanDerWaalsContact OD1-CZ 3.27Å; N1010-F1058 WeakPolarHBondContact OD1-CZ 3.25Å
1011	D	91.9	Very high	94.2	Very high	24 Å²	24	14 Å²	14	13%	0.128	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-64.2	-35.7	-173.3	-56.4	-21	0	0	0	111.7	V1013 N1014 Y1050 A1051	D1011-V1013 PolarHBondContact O-N 3.02Å; D1011-V1013 VanDerWaalsContact O-N 3.17Å; D1011-N1014 WeakPolarHBondContact O-CB 3.35Å; D1011-N1014 PolarHBondContact O-N 2.89Å; D1011-Y1050 WeakPolarHBondContact OD2-CB 3.33Å; D1011-Y1050 PolarHBondContact OD2-N 3.09Å; D1011-A1051 PolarHBondContact OD2-N 3.27Å
1012	T	94.6	Very high	93.8	Very high	16 Å²	16	16.1 Å²	16.1	10%	0.098	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-71.7	-4	-180	58.3	0	0	0	0	115.1	H964 N1010 M1028 V1030 L1031	H964-T1012 HydrophobicContact CB-CG2 3.82Å; H964-T1012 VanDerWaalsContact CG-CG2 3.45Å; N1010-T1012 VanDerWaalsContact C-N 3.29Å; N1010-T1012 PolarHBondContact O-N 2.99Å; T1012-M1028 HydrophobicContact CG2-CE 4.24Å; T1012-V1030 WeakPolarHBondContact O-CB 3.35Å; T1012-L1031 PolarHBondContact O-N 3.35Å
1013	V	96.4	Very high	93.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-126.6	10.8	178.1	-64	0	0	0	0	111.9	V1006 N1010 D1011 L1031 V1033 W1034 I1057	V1006-V1013 HydrophobicContact CG1-CG1 4.19Å; V1006-V1013 HydrophobicContact CG1-CG2 3.94Å; N1010-V1013 WeakPolarHBondContact O-CG2 3.48Å; N1010-V1013 PolarHBondContact O-N 3.48Å; D1011-V1013 PolarHBondContact O-N 3.02Å; D1011-V1013 VanDerWaalsContact O-N 3.17Å; V1013-L1031 HydrophobicContact CG1-CB 4.19Å; V1013-V1033 HydrophobicContact CB-CG1 4.29Å; V1013-V1033 HydrophobicContact CB-CG2 3.89Å; V1013-V1033 HydrophobicContact CG1-CG1 3.77Å; V1013-V1033 HydrophobicContact CG1-CG2 4.26Å; V1013-W1034 WeakPolarHBondContact O-CZ3 3.49Å; V1013-I1057 HydrophobicContact CB-CD1 4.12Å; V1013-I1057 HydrophobicContact CG2-CD1 3.64Å; V1013-I1057 WeakPolarHBondContact O-CD1 3.5Å
1014	N	95.1	Very high	92.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.093	C	C	.	.			trans	-85.6	116.6	-169.4	-171.5	-24.5	0	0	0	111.8	N1010 D1011 A1016 A1017 I1025 D1054 N1055 P1056	N1010-N1014 PolarHBondContact O-N 3.43Å; D1011-N1014 WeakPolarHBondContact O-CB 3.35Å; D1011-N1014 PolarHBondContact O-N 2.89Å; N1014-A1016 PolarHBondContact O-N 2.64Å; N1014-A1016 WeakPolarHBondContact OD1-CB 3.46Å; N1014-A1016 PolarHBondContact OD1-N 3.49Å; N1014-A1017 WeakPolarHBondContact O-CB 3.48Å; N1014-A1017 PolarHBondContact O-N 2.86Å; N1014-I1025 HydrophobicContact CB-CD1 3.68Å; N1014-D1054 PolarHBondContact ND2-O 2.97Å; N1014-N1055 PolarHBondContact OD1-OD1 2.66Å; N1014-P1056 WeakPolarHBondContact OD1-CD 3.3Å
1015	S	94.3	Very high	92.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.1	-178.2	73.7	0	0	0	0	113.9	A1017 Q1018 E1019 K1060	S1015-A1017 PolarHBondContact O-N 3.39Å; S1015-A1017 VanDerWaalsContact O-N 3.12Å; S1015-Q1018 PolarHBondContact O-N 3.35Å; S1015-E1019 WeakPolarHBondContact CB-OE2 3.36Å; S1015-E1019 WeakPolarHBondContact O-CB 3.19Å; S1015-E1019 PolarHBondContact O-N 2.75Å; S1015-E1019 PolarHBondContact OG-OE2 3.27Å; S1015-K1060 VanDerWaalsContact OG-CE 3.31Å; S1015-K1060 WeakPolarHBondContact OG-CE 3.27Å
1016	A	91.8	Very high	91.8	Very high	6 Å²	6	16.8 Å²	16.8	5%	0.05	10%	0.095	C	C	.	.	H	α-helix	trans	-59.9	-22.9	175.3	0	0	0	0	0	112.6	N1014 Q1018 D1020 P1056	N1014-A1016 PolarHBondContact O-N 2.64Å; N1014-A1016 WeakPolarHBondContact OD1-CB 3.46Å; N1014-A1016 PolarHBondContact OD1-N 3.49Å; A1016-Q1018 PolarHBondContact O-N 3.33Å; A1016-D1020 HydrophobicContact CB-CB 4.35Å; A1016-D1020 PolarHBondContact O-N 2.86Å; A1016-D1020 VanDerWaalsContact O-N 3.12Å; A1016-P1056 HydrophobicContact CB-CG 4.03Å
1017	A	91.8	Very high	91.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-28.9	174.7	0	0	0	0	0	112.9	N1014 S1015 I1025 G1027 M1028 V1030	N1014-A1017 WeakPolarHBondContact O-CB 3.48Å; N1014-A1017 PolarHBondContact O-N 2.86Å; S1015-A1017 PolarHBondContact O-N 3.39Å; S1015-A1017 VanDerWaalsContact O-N 3.12Å; A1017-I1025 WeakPolarHBondContact CA-O 3.47Å; A1017-I1025 HydrophobicContact CB-CD1 4.24Å; A1017-I1025 HydrophobicContact CB-CG1 4.25Å; A1017-I1025 WeakPolarHBondContact CB-O 3.37Å; A1017-G1027 PolarHBondContact O-N 2.9Å; A1017-M1028 HydrophobicContact CB-CB 4.18Å; A1017-M1028 WeakPolarHBondContact CB-O 3.37Å; A1017-V1030 HydrophobicContact CB-CG1 3.89Å; A1017-V1030 HydrophobicContact CB-CG2 4.35Å
1018	Q	91.4	Very high	91.2	Very high	53 Å²	53	18.5 Å²	18.5	25%	0.248	11%	0.11	C	C	.	.	H	α-helix	trans	-106	-35.6	179.7	-62.3	-175.4	-0.5	0	0	112.9	V456 S1015 A1016 E1032	V456-Q1018 PolarHBondContact N-O 3.27Å; S1015-Q1018 PolarHBondContact O-N 3.35Å; A1016-Q1018 PolarHBondContact O-N 3.33Å; Q1018-E1032 PolarHBondContact NE2-OE1 3.15Å; Q1018-E1032 PolarHBondContact OE1-OE1 3.46Å
1019	E	88.5	Confident	91.2	Very high	76 Å²	76	19.6 Å²	19.6	36%	0.355	11%	0.112	S	C	.	.	H	α-helix	trans	-88.7	-25.2	-171.8	-63.3	175	158.9	0	0	113.3	S1015 K1060	S1015-E1019 WeakPolarHBondContact CB-OE2 3.36Å; S1015-E1019 WeakPolarHBondContact O-CB 3.19Å; S1015-E1019 PolarHBondContact O-N 2.75Å; S1015-E1019 PolarHBondContact OG-OE2 3.27Å; E1019-K1060 IonicContact OE1-NZ 3.65Å; E1019-K1060 PolarHBondContact OE1-NZ 3.34Å; E1019-K1060 IonicContact OE2-NZ 2.78Å; E1019-K1060 PolarHBondContact OE2-NZ 3.45Å
1020	D	88.4	Confident	91.3	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.053	11%	0.108	C	C	.	.			trans	-121.2	104.3	-176.2	-179	10.9	0	0	0	112.1	P903 M904 A1016 N1022 S1023	P903-D1020 WeakPolarHBondContact CA-OD2 3.4Å; M904-D1020 HydrophobicContact CB-CB 4.31Å; M904-D1020 HydrophobicContact CE-CB 4.46Å; M904-D1020 PolarHBondContact N-OD2 2.9Å; A1016-D1020 HydrophobicContact CB-CB 4.35Å; A1016-D1020 PolarHBondContact O-N 2.86Å; A1016-D1020 VanDerWaalsContact O-N 3.12Å; D1020-N1022 PolarHBondContact O-N 3.18Å; D1020-N1022 VanDerWaalsContact O-N 3.16Å; D1020-N1022 WeakPolarHBondContact OD1-CB 3.34Å; D1020-N1022 PolarHBondContact OD1-N 3.17Å; D1020-S1023 VanDerWaalsContact O-CB 3.27Å; D1020-S1023 WeakPolarHBondContact O-CB 3.42Å; D1020-S1023 PolarHBondContact O-N 3.08Å; D1020-S1023 VanDerWaalsContact O-N 3.1Å
1021	P	88	Confident	91.6	Very high	20 Å²	20	18.5 Å²	18.5	13%	0.13	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.5	177.8	28.7	-35.1	0	0	0	113.8	V456 L459 T898 G899	V456-P1021 HydrophobicContact CG2-CB 4.26Å; L459-P1021 HydrophobicContact CD1-CB 3.55Å; L459-P1021 HydrophobicContact CD1-CG 4.05Å; T898-P1021 CarbonylContact C-O 3.59Å; T898-P1021 WeakPolarHBondContact CA-O 3.48Å; G899-P1021 PolarHBondContact N-O 2.96Å
1022	N	88.6	Confident	91.8	Very high	44 Å²	44	18.7 Å²	18.7	24%	0.235	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	0.5	177.8	-54.3	-62.6	0	0	0	112.7	G901 K902 D1020	G901-N1022 VanDerWaalsContact CA-OD1 3.26Å; G901-N1022 WeakPolarHBondContact CA-OD1 3.43Å; G901-N1022 PolarHBondContact N-OD1 3.04Å; K902-N1022 WeakPolarHBondContact O-CB 3.3Å; K902-N1022 PolarHBondContact O-ND2 3.33Å; D1020-N1022 PolarHBondContact O-N 3.18Å; D1020-N1022 VanDerWaalsContact O-N 3.16Å; D1020-N1022 WeakPolarHBondContact OD1-CB 3.34Å; D1020-N1022 PolarHBondContact OD1-N 3.17Å
1023	S	88.3	Confident	92	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-64.1	145.7	174.8	-179.1	0	0	0	0	111.3	T898 D1020 I1025 A1026	T898-S1023 WeakPolarHBondContact CG2-O 3.48Å; T898-S1023 PolarHBondContact OG1-O 3.09Å; D1020-S1023 VanDerWaalsContact O-CB 3.27Å; D1020-S1023 WeakPolarHBondContact O-CB 3.42Å; D1020-S1023 PolarHBondContact O-N 3.08Å; D1020-S1023 VanDerWaalsContact O-N 3.1Å; S1023-I1025 PolarHBondContact O-N 3.46Å; S1023-I1025 VanDerWaalsContact OG-CG1 3.28Å; S1023-I1025 WeakPolarHBondContact OG-CG1 3.23Å; S1023-I1025 PolarHBondContact OG-N 3.01Å; S1023-A1026 VanDerWaalsContact O-CB 3.3Å; S1023-A1026 WeakPolarHBondContact O-CB 3.36Å; S1023-A1026 PolarHBondContact O-N 2.64Å; S1023-A1026 VanDerWaalsContact O-N 3.1Å
1024	I	85.6	Confident	92	Very high	37 Å²	37	19.4 Å²	19.4	19%	0.19	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.1	175.3	-162.6	175.7	0	0	0	112.2	Y893 T895 A1051 V1053	Y893-I1024 HydrophobicContact CD2-CD1 4.43Å; Y893-I1024 HydrophobicContact CE1-CD1 4.13Å; Y893-I1024 HydrophobicContact CE1-CG1 4.46Å; Y893-I1024 HydrophobicContact CE2-CD1 3.85Å; T895-I1024 VanDerWaalsContact CG2-O 3.27Å; T895-I1024 WeakPolarHBondContact CG2-O 2.96Å; T895-I1024 PolarHBondContact N-O 3.47Å; I1024-A1051 HydrophobicContact CG2-CB 3.94Å; I1024-V1053 HydrophobicContact CG2-CB 4.17Å; I1024-V1053 HydrophobicContact CG2-CG1 4.35Å
1025	I	88.3	Confident	92.1	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.062	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	17.7	176.9	58.7	170.4	0	0	0	112.8	N1014 A1017 S1023 G1027 M1028 A1051 V1053	N1014-I1025 HydrophobicContact CB-CD1 3.68Å; A1017-I1025 WeakPolarHBondContact CA-O 3.47Å; A1017-I1025 HydrophobicContact CB-CD1 4.24Å; A1017-I1025 HydrophobicContact CB-CG1 4.25Å; A1017-I1025 WeakPolarHBondContact CB-O 3.37Å; S1023-I1025 PolarHBondContact O-N 3.46Å; S1023-I1025 VanDerWaalsContact OG-CG1 3.28Å; S1023-I1025 WeakPolarHBondContact OG-CG1 3.23Å; S1023-I1025 PolarHBondContact OG-N 3.01Å; I1025-G1027 PolarHBondContact O-N 3.36Å; I1025-M1028 HydrophobicContact CB-CB 4.32Å; I1025-M1028 HydrophobicContact CB-SD 4.41Å; I1025-M1028 HydrophobicContact CG2-SD 4.43Å; I1025-M1028 WeakPolarHBondContact O-CB 3.42Å; I1025-M1028 PolarHBondContact O-N 3.44Å; I1025-A1051 HydrophobicContact CG2-CB 3.71Å; I1025-V1053 HydrophobicContact CD1-CG1 4.32Å
1026	A	89.8	Confident	92.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	132.7	179.3	0	0	0	0	0	111.8	V456 N882 T895 S1023 M1028	V456-A1026 HydrophobicContact CG2-CB 4.19Å; N882-A1026 PolarHBondContact ND2-O 3.17Å; T895-A1026 WeakPolarHBondContact CB-O 3.35Å; T895-A1026 PolarHBondContact OG1-O 2.69Å; S1023-A1026 VanDerWaalsContact O-CB 3.3Å; S1023-A1026 WeakPolarHBondContact O-CB 3.36Å; S1023-A1026 PolarHBondContact O-N 2.64Å; S1023-A1026 VanDerWaalsContact O-N 3.1Å; A1026-M1028 PolarHBondContact O-N 3.49Å
1027	G	89.9	Confident	92.5	Very high	23 Å²	23	30.4 Å²	30.4	24%	0.237	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-1	-179.1	0	0	0	0	0	115	N882 A1017 I1025 P1029	N882-G1027 WeakPolarHBondContact ND2-CA 3.48Å; A1017-G1027 PolarHBondContact O-N 2.9Å; I1025-G1027 PolarHBondContact O-N 3.36Å; G1027-P1029 WeakPolarHBondContact O-CD 3.36Å
1028	M	92.9	Very high	92.8	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.069	16%	0.162	C	C	.	.			trans	-63	125	169.4	-179.5	175.6	168.7	0	0	109.3	N882 H964 V966 T1012 A1017 I1025 A1026 V1030	N882-M1028 HydrophobicContact CB-CB 4.43Å; H964-M1028 VanDerWaalsContact CE1-CE 3.42Å; H964-M1028 WeakPolarHBondContact CE1-CE 3.33Å; V966-M1028 HydrophobicContact CG2-CE 4.05Å; T1012-M1028 HydrophobicContact CG2-CE 4.24Å; A1017-M1028 HydrophobicContact CB-CB 4.18Å; A1017-M1028 WeakPolarHBondContact CB-O 3.37Å; I1025-M1028 HydrophobicContact CB-CB 4.32Å; I1025-M1028 HydrophobicContact CB-SD 4.41Å; I1025-M1028 HydrophobicContact CG2-SD 4.43Å; I1025-M1028 WeakPolarHBondContact O-CB 3.42Å; I1025-M1028 PolarHBondContact O-N 3.44Å; A1026-M1028 PolarHBondContact O-N 3.49Å; M1028-V1030 HydrophobicContact CG-CG1 4.3Å; M1028-V1030 PolarHBondContact O-N 2.94Å
1029	P	93.7	Very high	93.2	Very high	50 Å²	50	30 Å²	30	33%	0.325	15%	0.151	S	C	.	.			trans	-58.8	136	167.7	-22.4	34.6	0	0	0	109.2	H964 M991 G1027	H964-P1029 PolarHBondContact NE2-O 2.93Å; M991-P1029 HydrophobicContact CE-CB 3.49Å; M991-P1029 VanDerWaalsContact CE-CB 3.49Å; M991-P1029 HydrophobicContact SD-CB 4.16Å; G1027-P1029 WeakPolarHBondContact O-CD 3.36Å
1030	V	95.8	Very high	93.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	13%	0.134	C	C	.	.			trans	-138	160.7	-179	-68.7	0	0	0	0	110.2	N995 T1012 A1017 M1028 E1032 W1034	N995-V1030 PolarHBondContact ND2-O 3.44Å; T1012-V1030 WeakPolarHBondContact O-CB 3.35Å; A1017-V1030 HydrophobicContact CB-CG1 3.89Å; A1017-V1030 HydrophobicContact CB-CG2 4.35Å; M1028-V1030 HydrophobicContact CG-CG1 4.3Å; M1028-V1030 PolarHBondContact O-N 2.94Å; V1030-E1032 PolarHBondContact O-N 3.41Å; V1030-W1034 HydrophobicContact CG2-CH2 3.62Å; V1030-W1034 HydrophobicContact CG2-CZ3 4.02Å
1031	L	98	Very high	94.1	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	13%	0.132	C	C	.	.			trans	-74.3	118.6	169.4	-71.3	162.2	0	0	0	108.7	T931 H964 M991 I994 N995 F998 T1012 V1013 V1033	T931-L1031 HydrophobicContact CG2-CB 4.49Å; T931-L1031 HydrophobicContact CG2-CD1 3.82Å; H964-L1031 HydrophobicContact CB-CD1 4.05Å; M991-L1031 HydrophobicContact CB-CD2 4Å; M991-L1031 HydrophobicContact CG-CD2 3.84Å; M991-L1031 HydrophobicContact CG-CG 4.24Å; I994-L1031 HydrophobicContact CG2-CD2 3.9Å; N995-L1031 WeakPolarHBondContact OD1-CA 3.39Å; F998-L1031 HydrophobicContact CE2-CB 4.25Å; F998-L1031 HydrophobicContact CE2-CD2 3.99Å; F998-L1031 HydrophobicContact CZ-CB 4.23Å; F998-L1031 HydrophobicContact CZ-CD2 4.12Å; T1012-L1031 PolarHBondContact O-N 3.35Å; V1013-L1031 HydrophobicContact CG1-CB 4.19Å; L1031-V1033 HydrophobicContact CB-CG1 4.13Å; L1031-V1033 PolarHBondContact O-N 2.87Å
1032	E	97.5	Very high	94.6	Very high	29 Å²	29	25 Å²	25	14%	0.136	13%	0.126	C	C	.	.			trans	-81.7	50.2	-170.3	-58.2	-178.3	150	0	0	113	N995 F998 Q1018 V1030 W1034 K1035	N995-E1032 PolarHBondContact OD1-N 2.97Å; F998-E1032 HydrophobicContact CD2-CB 4.43Å; Q1018-E1032 PolarHBondContact NE2-OE1 3.15Å; Q1018-E1032 PolarHBondContact OE1-OE1 3.46Å; V1030-E1032 PolarHBondContact O-N 3.41Å; E1032-W1034 HydrophobicContact CB-CH2 4.23Å; E1032-W1034 HydrophobicContact CB-CZ2 4.07Å; E1032-W1034 HydrophobicContact CG-CH2 4.1Å; E1032-W1034 HydrophobicContact CG-CZ2 4.04Å; E1032-W1034 PolarHBondContact O-N 2.91Å; E1032-K1035 HydrophobicContact CB-CD 4.04Å; E1032-K1035 HydrophobicContact CB-CG 4.33Å; E1032-K1035 WeakPolarHBondContact O-CB 3.49Å; E1032-K1035 PolarHBondContact O-N 3.41Å; E1032-K1035 IonicContact OE1-NZ 2.91Å; E1032-K1035 WeakPolarHBondContact OE2-CD 3.44Å; E1032-K1035 WeakPolarHBondContact OE2-CE 3.26Å; E1032-K1035 IonicContact OE2-NZ 3.32Å; E1032-K1035 PolarHBondContact OE2-NZ 3.25Å
1033	V	98.2	Very high	94.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-57.3	-27.2	-170.3	-58.7	0	0	0	0	113.7	T931 F998 V1004 V1006 V1013 L1031 K1035 A1036 V1039 I1057	T931-V1033 HydrophobicContact CG2-CG1 3.87Å; F998-V1033 HydrophobicContact CE1-CB 4.42Å; F998-V1033 HydrophobicContact CE1-CG1 3.92Å; F998-V1033 HydrophobicContact CZ-CG1 3.98Å; V1004-V1033 HydrophobicContact CG1-CB 3.93Å; V1004-V1033 HydrophobicContact CG1-CG1 3.8Å; V1006-V1033 HydrophobicContact CG2-CB 4.4Å; V1006-V1033 HydrophobicContact CG2-CG1 4.28Å; V1006-V1033 HydrophobicContact CG2-CG2 4.2Å; V1013-V1033 HydrophobicContact CB-CG1 4.29Å; V1013-V1033 HydrophobicContact CB-CG2 3.89Å; V1013-V1033 HydrophobicContact CG1-CG1 3.77Å; V1013-V1033 HydrophobicContact CG1-CG2 4.26Å; L1031-V1033 HydrophobicContact CB-CG1 4.13Å; L1031-V1033 PolarHBondContact O-N 2.87Å; V1033-K1035 PolarHBondContact O-N 3.33Å; V1033-A1036 WeakPolarHBondContact O-CB 3.44Å; V1033-A1036 PolarHBondContact O-N 3.34Å; V1033-V1039 HydrophobicContact CG2-CG1 4.36Å; V1033-V1039 WeakPolarHBondContact O-CG2 3.27Å; V1033-I1057 HydrophobicContact CG2-CD1 4.12Å
1034	W	97	Very high	94.9	Very high	31 Å²	31	34.3 Å²	34.3	12%	0.117	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-68.9	-11.6	-179.6	60.9	84.8	0	0	0	113.8	V1013 V1030 E1032 A1036 I1057 K1060 N1062	V1013-W1034 WeakPolarHBondContact O-CZ3 3.49Å; V1030-W1034 HydrophobicContact CG2-CH2 3.62Å; V1030-W1034 HydrophobicContact CG2-CZ3 4.02Å; E1032-W1034 HydrophobicContact CB-CH2 4.23Å; E1032-W1034 HydrophobicContact CB-CZ2 4.07Å; E1032-W1034 HydrophobicContact CG-CH2 4.1Å; E1032-W1034 HydrophobicContact CG-CZ2 4.04Å; E1032-W1034 PolarHBondContact O-N 2.91Å; W1034-A1036 VanDerWaalsContact C-N 3.3Å; W1034-I1057 HydrophobicContact CB-CG2 4.43Å; W1034-I1057 HydrophobicContact CE3-CG2 3.86Å; W1034-K1060 HydrophobicContact CB-CD 3.99Å; W1034-N1062 PolarHBondContact O-ND2 3.03Å
1035	K	97.3	Very high	95.1	Very high	98 Å²	98	35.8 Å²	35.8	43%	0.426	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-77.4	-14.7	174	-66.1	-176.1	177	178.3	0	113	F998 P999 E1032 V1033	F998-K1035 HydrophobicContact CB-CB 4.1Å; P999-K1035 HydrophobicContact CG-CB 4.21Å; P999-K1035 HydrophobicContact CG-CD 4.31Å; E1032-K1035 HydrophobicContact CB-CD 4.04Å; E1032-K1035 HydrophobicContact CB-CG 4.33Å; E1032-K1035 WeakPolarHBondContact O-CB 3.49Å; E1032-K1035 PolarHBondContact O-N 3.41Å; E1032-K1035 IonicContact OE1-NZ 2.91Å; E1032-K1035 WeakPolarHBondContact OE2-CD 3.44Å; E1032-K1035 WeakPolarHBondContact OE2-CE 3.26Å; E1032-K1035 IonicContact OE2-NZ 3.32Å; E1032-K1035 PolarHBondContact OE2-NZ 3.25Å; V1033-K1035 PolarHBondContact O-N 3.33Å
1036	A	97.9	Very high	95	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.025	18%	0.183	C	C	.	.	S	Bend	trans	-73.9	162	176.8	0	0	0	0	0	112.9	F998 T1001 V1004 V1033 W1034 Q1038 N1062	F998-A1036 VanDerWaalsContact O-CA 3.26Å; F998-A1036 WeakPolarHBondContact O-CA 3.45Å; T1001-A1036 HydrophobicContact CG2-CB 4.5Å; V1004-A1036 HydrophobicContact CB-CB 4.44Å; V1004-A1036 HydrophobicContact CG2-CB 3.39Å; V1033-A1036 WeakPolarHBondContact O-CB 3.44Å; V1033-A1036 PolarHBondContact O-N 3.34Å; W1034-A1036 VanDerWaalsContact C-N 3.3Å; A1036-Q1038 PolarHBondContact O-N 3.2Å; A1036-N1062 PolarHBondContact O-ND2 2.92Å
1037	K	96.7	Very high	94.5	Very high	135 Å²	135	39.6 Å²	39.6	59%	0.587	20%	0.201	S	C	*	.	S	Bend	trans	-62.9	-41.1	-179.4	-60.5	-178.6	-169.7	161.7	0	112.3	T1001 D1002	T1001-K1037 PolarHBondContact O-N 3.22Å; T1001-K1037 VanDerWaalsContact O-N 3.07Å; D1002-K1037 IonicContact OD1-NZ 3.51Å; D1002-K1037 PolarHBondContact OD1-NZ 3.36Å
1038	Q	98	Very high	94.1	Very high	43 Å²	43	42.6 Å²	42.6	20%	0.201	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	140.7	176.9	-175.6	69.7	-23.6	0	0	111.3	M921 D1002 L1003 V1004 A1036 N1062 S1064	M921-Q1038 HydrophobicContact SD-CG 4.09Å; M921-Q1038 PolarHBondContact SD-NE2 2.63Å; M921-Q1038 VanDerWaalsContact SD-NE2 3.42Å; D1002-Q1038 PolarHBondContact O-N 3.08Å; L1003-Q1038 CarbonylContact C-O 3.38Å; L1003-Q1038 WeakPolarHBondContact CA-O 3.44Å; L1003-Q1038 HydrophobicContact CD1-CB 4.02Å; L1003-Q1038 HydrophobicContact CD1-CG 3.87Å; V1004-Q1038 PolarHBondContact N-O 3.16Å; A1036-Q1038 PolarHBondContact O-N 3.2Å; Q1038-N1062 PolarHBondContact OE1-O 2.8Å; Q1038-S1064 PolarHBondContact NE2-OG 3.36Å
1039	V	98.6	Very high	93.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.2	176.5	-174.7	0	0	0	0	109.7	V1004 V1006 V1033 V1041 N1062 T1063 S1064	V1004-V1039 HydrophobicContact CB-CG1 4.49Å; V1004-V1039 HydrophobicContact CB-CG2 4.39Å; V1004-V1039 CarbonylContact O-C 3.52Å; V1004-V1039 WeakPolarHBondContact O-CA 3.21Å; V1006-V1039 HydrophobicContact CG2-CG1 3.7Å; V1033-V1039 HydrophobicContact CG2-CG1 4.36Å; V1033-V1039 WeakPolarHBondContact O-CG2 3.27Å; V1039-V1041 HydrophobicContact CG1-CG2 4.09Å; V1039-N1062 PolarHBondContact N-O 3.21Å; V1039-T1063 HydrophobicContact CB-CG2 4.25Å; V1039-T1063 HydrophobicContact CG1-CG2 4.3Å; V1039-T1063 CarbonylContact O-C 3.58Å; V1039-T1063 WeakPolarHBondContact O-CA 3.33Å; V1039-S1064 PolarHBondContact O-N 3.08Å
1040	I	98.4	Very high	92.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.3	171.6	-59.6	178.9	0	0	0	108.7	T918 M921 L1003 V1004 L1005 V1006 M1042 S1064 L1066	T918-I1040 HydrophobicContact CG2-CD1 3.6Å; T918-I1040 HydrophobicContact CG2-CG2 4.34Å; M921-I1040 HydrophobicContact CB-CD1 4.4Å; M921-I1040 HydrophobicContact SD-CD1 4.01Å; L1003-I1040 HydrophobicContact CD1-CD1 3.85Å; L1003-I1040 HydrophobicContact CD1-CG1 3.93Å; V1004-I1040 PolarHBondContact O-N 2.88Å; L1005-I1040 HydrophobicContact CD2-CB 3.88Å; L1005-I1040 HydrophobicContact CD2-CD1 4.14Å; L1005-I1040 HydrophobicContact CD2-CG1 4.39Å; L1005-I1040 HydrophobicContact CD2-CG2 4.48Å; V1006-I1040 PolarHBondContact N-O 3.15Å; I1040-M1042 HydrophobicContact CG2-CG 4.3Å; I1040-S1064 VanDerWaalsContact CA-O 3.32Å; I1040-S1064 WeakPolarHBondContact CA-O 3.48Å; I1040-L1066 HydrophobicContact CG2-CB 3.9Å
1041	V	98.1	Very high	90.8	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.5	178.3	-178	0	0	0	0	110	V1006 V1039 K1043 F1058 T1063 S1064 M1065 L1066	V1006-V1041 HydrophobicContact CB-CB 4.48Å; V1006-V1041 HydrophobicContact CB-CG1 4.49Å; V1006-V1041 HydrophobicContact CB-CG2 4.1Å; V1006-V1041 HydrophobicContact CG1-CG1 4.48Å; V1006-V1041 HydrophobicContact CG2-CG2 4.22Å; V1039-V1041 HydrophobicContact CG1-CG2 4.09Å; V1041-K1043 HydrophobicContact CG1-CD 4.19Å; V1041-K1043 HydrophobicContact CG1-CG 4.5Å; V1041-F1058 HydrophobicContact CB-CD1 4.48Å; V1041-F1058 HydrophobicContact CB-CE1 4.37Å; V1041-F1058 HydrophobicContact CG1-CD1 4.23Å; V1041-F1058 HydrophobicContact CG1-CE1 3.69Å; V1041-F1058 HydrophobicContact CG1-CZ 4.39Å; V1041-F1058 HydrophobicContact CG2-CD1 4.13Å; V1041-F1058 HydrophobicContact CG2-CE1 4.13Å; V1041-T1063 HydrophobicContact CG2-CG2 3.76Å; V1041-S1064 PolarHBondContact N-O 3.42Å; V1041-M1065 HydrophobicContact CB-CE 3.85Å; V1041-M1065 HydrophobicContact CB-SD 3.83Å; V1041-M1065 HydrophobicContact CG1-CE 3.81Å; V1041-M1065 HydrophobicContact CG1-SD 4.41Å; V1041-M1065 HydrophobicContact CG2-SD 4.3Å; V1041-L1066 PolarHBondContact O-N 3.48Å
1042	M	97.2	Very high	89.5	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.8	-179.4	-59.5	175.6	68.2	0	0	110.5	V1006 I1007 G1008 I1040 L1066 T1073 L1077	V1006-M1042 PolarHBondContact O-N 3.42Å; I1007-M1042 HydrophobicContact CD1-SD 4.12Å; I1007-M1042 HydrophobicContact CG1-SD 3.89Å; I1007-M1042 HydrophobicContact CG2-CB 4.34Å; I1007-M1042 HydrophobicContact CG2-SD 4.47Å; G1008-M1042 PolarHBondContact N-O 3.49Å; I1040-M1042 HydrophobicContact CG2-CG 4.3Å; M1042-L1066 WeakPolarHBondContact CA-O 3.27Å; M1042-L1066 HydrophobicContact CE-CD2 4.03Å; M1042-L1066 HydrophobicContact CG-CB 4.19Å; M1042-L1066 HydrophobicContact CG-CD2 4.12Å; M1042-L1066 HydrophobicContact CG-CG 4.47Å; M1042-L1066 HydrophobicContact SD-CD2 4.38Å; M1042-T1073 WeakPolarHBondContact CE-OG1 3.28Å; M1042-L1077 HydrophobicContact CE-CD1 3.76Å; M1042-L1077 HydrophobicContact SD-CD1 4.12Å
1043	K	93.5	Very high	88.5	Confident	33 Å²	33	49.8 Å²	49.8	14%	0.143	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	164.2	179.4	67.9	-173.5	-55.6	-137.4	0	112.2	V1041 S1045 L1046 G1047 F1058 M1065 L1066 L1067 G1068	V1041-K1043 HydrophobicContact CG1-CD 4.19Å; V1041-K1043 HydrophobicContact CG1-CG 4.5Å; K1043-S1045 VanDerWaalsContact CD-O 3.24Å; K1043-S1045 WeakPolarHBondContact CD-O 3.37Å; K1043-S1045 WeakPolarHBondContact CE-O 3.44Å; K1043-S1045 WeakPolarHBondContact CG-O 3.21Å; K1043-S1045 PolarHBondContact NZ-O 2.85Å; K1043-L1046 VanDerWaalsContact NZ-C 3.31Å; K1043-G1047 PolarHBondContact NZ-O 3.31Å; K1043-F1058 HydrophobicContact CD-CE2 4.25Å; K1043-F1058 HydrophobicContact CD-CZ 4.11Å; K1043-M1065 HydrophobicContact CD-CE 3.6Å; K1043-M1065 HydrophobicContact CG-CE 4.07Å; K1043-L1066 PolarHBondContact N-O 2.82Å; K1043-L1067 HydrophobicContact CG-CD2 4Å; K1043-L1067 CarbonylContact O-C 3.58Å; K1043-L1067 VanDerWaalsContact O-CA 3.29Å; K1043-L1067 WeakPolarHBondContact O-CA 3.39Å; K1043-G1068 CarbonylContact C-O 3.56Å; K1043-G1068 VanDerWaalsContact C-O 3.27Å; K1043-G1068 PolarHBondContact O-N 2.87Å
1044	R	91	Very high	87.8	Confident	206 Å²	206	52.1 Å²	52.1	78%	0.777	28%	0.276	S	S	*	.	S	Bend	trans	-68.8	-38.1	-176.5	-67.8	175	-67.9	173.7	0.3	114.3	G1068	R1044-G1068 WeakPolarHBondContact CA-O 3.31Å; R1044-G1068 PolarHBondContact N-O 2.99Å
1045	S	89.8	Confident	87.6	Confident	68 Å²	68	50.7 Å²	50.7	48%	0.476	27%	0.27	S	S	.	.	S	Bend	trans	-158.9	174.1	-178.9	69.1	0	0	0	0	109.8	K1043 G1047	K1043-S1045 VanDerWaalsContact CD-O 3.24Å; K1043-S1045 WeakPolarHBondContact CD-O 3.37Å; K1043-S1045 WeakPolarHBondContact CE-O 3.44Å; K1043-S1045 WeakPolarHBondContact CG-O 3.21Å; K1043-S1045 PolarHBondContact NZ-O 2.85Å; S1045-G1047 PolarHBondContact O-N 2.89Å; S1045-G1047 PolarHBondContact OG-N 3.42Å
1046	L	86.3	Confident	87.4	Confident	55 Å²	55	47.4 Å²	47.4	29%	0.288	26%	0.259	S	S	.	.	S	Bend	trans	-71.9	11.1	174.2	-65.1	172.1	0	0	0	114.5	H910 K1043 M1065	H910-L1046 VanDerWaalsContact CE1-CD1 3.47Å; H910-L1046 WeakPolarHBondContact CE1-CD1 3.34Å; H910-L1046 WeakPolarHBondContact ND1-CD1 3.33Å; K1043-L1046 VanDerWaalsContact NZ-C 3.31Å; L1046-M1065 HydrophobicContact CD2-CE 3.9Å; L1046-M1065 HydrophobicContact CD2-CG 4.36Å
1047	G	79.8	Confident	87.2	Confident	37 Å²	37	47.3 Å²	47.3	38%	0.381	26%	0.259	S	S	.	.			trans	-61.5	160.8	178.4	0	0	0	0	0	114.5	K1043 S1045	K1043-G1047 PolarHBondContact NZ-O 3.31Å; S1045-G1047 PolarHBondContact O-N 2.89Å; S1045-G1047 PolarHBondContact OG-N 3.42Å
1048	V	81	Confident	87.1	Confident	85 Å²	85	40.9 Å²	40.9	52%	0.515	23%	0.231	S	C	.	.			trans	-71.6	162.6	-176.2	-63.9	0	0	0	0	114	A1052	V1048-A1052 HydrophobicContact CG2-CB 4.28Å
1049	G	74.9	Confident	86.8	Confident	25 Å²	25	41.3 Å²	41.3	26%	0.258	23%	0.231	S	C	.	.			trans	-81.3	-155.8	174.3	0	0	0	0	0	112.9	N1010 A1052	N1010-G1049 VanDerWaalsContact ND2-CA 3.28Å; N1010-G1049 WeakPolarHBondContact ND2-CA 3.3Å; N1010-G1049 PolarHBondContact ND2-N 2.89Å; G1049-A1052 PolarHBondContact O-N 2.75Å
1050	Y	71.3	Confident	86.5	Confident	107 Å²	107	43.5 Å²	43.5	42%	0.42	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-43.4	178.1	169.4	-106	0	0	0	111.3	A830 D831 D1011 A1052	A830-Y1050 HydrophobicContact CB-CD1 3.58Å; A830-Y1050 HydrophobicContact CB-CD2 3.17Å; A830-Y1050 HydrophobicContact CB-CE1 3.61Å; A830-Y1050 HydrophobicContact CB-CE2 3.2Å; A830-Y1050 HydrophobicContact CB-CG 3.33Å; D831-Y1050 VanDerWaalsContact CG-OH 3.27Å; D831-Y1050 PolarHBondContact OD2-OH 3.35Å; D1011-Y1050 WeakPolarHBondContact OD2-CB 3.33Å; D1011-Y1050 PolarHBondContact OD2-N 3.09Å; Y1050-A1052 PolarHBondContact O-N 2.93Å
1051	A	66.3	Low	86.1	Confident	18 Å²	18	49.4 Å²	49.4	15%	0.149	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-2.1	177.6	0	0	0	0	0	113.7	D1011 I1024 I1025 V1053	D1011-A1051 PolarHBondContact OD2-N 3.27Å; I1024-A1051 HydrophobicContact CG2-CB 3.94Å; I1025-A1051 HydrophobicContact CG2-CB 3.71Å; A1051-V1053 HydrophobicContact CB-CG1 4.02Å; A1051-V1053 PolarHBondContact O-N 3.35Å; A1051-V1053 VanDerWaalsContact O-N 3.09Å
1052	A	70.3	Confident	85.9	Confident	71 Å²	71	51.1 Å²	51.1	59%	0.587	29%	0.288	S	S	*	.			trans	54.2	26.4	-178.7	0	0	0	0	0	114	V1048 G1049 Y1050	V1048-A1052 HydrophobicContact CG2-CB 4.28Å; G1049-A1052 PolarHBondContact O-N 2.75Å; Y1050-A1052 PolarHBondContact O-N 2.93Å
1053	V	77.4	Confident	86	Confident	27 Å²	27	51 Å²	51	16%	0.164	29%	0.287	C	S	.	.			trans	-105	144.8	175.9	70.2	0	0	0	0	109.4	I1024 I1025 A1051	I1024-V1053 HydrophobicContact CG2-CB 4.17Å; I1024-V1053 HydrophobicContact CG2-CG1 4.35Å; I1025-V1053 HydrophobicContact CD1-CG1 4.32Å; A1051-V1053 HydrophobicContact CB-CG1 4.02Å; A1051-V1053 PolarHBondContact O-N 3.35Å; A1051-V1053 VanDerWaalsContact O-N 3.09Å
1054	D	84.3	Confident	86.1	Confident	49 Å²	49	49.7 Å²	49.7	26%	0.262	28%	0.282	S	S	.	.			trans	-76.3	158.1	171.7	-162.8	6.7	0	0	0	109.8	I906 N1014 Y1059	I906-D1054 HydrophobicContact CD1-CB 3.42Å; I906-D1054 VanDerWaalsContact CD1-CB 3.42Å; I906-D1054 VanDerWaalsContact CD1-CG 3.42Å; I906-D1054 WeakPolarHBondContact CD1-OD2 3.38Å; N1014-D1054 PolarHBondContact ND2-O 2.97Å; D1054-Y1059 PolarHBondContact OD2-OH 3.14Å
1055	N	91.9	Very high	86.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.245	C	C	.	.			trans	-112.6	111.7	-171.1	-167.6	-22	0	0	0	110.7	N1010 N1014 I1057 F1058 Y1059	N1010-N1055 PolarHBondContact O-ND2 2.77Å; N1010-N1055 VanDerWaalsContact OD1-CB 3.31Å; N1010-N1055 WeakPolarHBondContact OD1-CB 3.46Å; N1010-N1055 PolarHBondContact OD1-ND2 3.35Å; N1014-N1055 PolarHBondContact OD1-OD1 2.66Å; N1055-I1057 WeakPolarHBondContact ND2-CD1 3.42Å; N1055-I1057 PolarHBondContact O-N 3.02Å; N1055-I1057 VanDerWaalsContact OD1-CG1 3.26Å; N1055-I1057 WeakPolarHBondContact OD1-CG1 3.47Å; N1055-I1057 WeakPolarHBondContact OD1-CG2 3.41Å; N1055-I1057 PolarHBondContact OD1-N 2.89Å; N1055-I1057 VanDerWaalsContact OD1-N 3.15Å; N1055-F1058 HydrophobicContact CB-CD1 4.24Å; N1055-F1058 HydrophobicContact CB-CD2 3.78Å; N1055-F1058 HydrophobicContact CB-CE1 3.95Å; N1055-F1058 HydrophobicContact CB-CE2 3.49Å; N1055-F1058 VanDerWaalsContact CB-CE2 3.49Å; N1055-F1058 HydrophobicContact CB-CG 4.15Å; N1055-F1058 HydrophobicContact CB-CZ 3.59Å; N1055-F1058 PolarHBondContact O-N 3.07Å; N1055-F1058 VanDerWaalsContact O-N 3.11Å; N1055-Y1059 WeakPolarHBondContact O-CD2 3.3Å
1056	P	92.5	Very high	86.8	Confident	30 Å²	30	36.9 Å²	36.9	20%	0.195	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-57.3	-26.9	-178.7	-24.7	34.8	0	0	0	113.4	I906 N1014 A1016 F1058 Y1059 K1060	I906-P1056 HydrophobicContact CD1-CG 4.46Å; N1014-P1056 WeakPolarHBondContact OD1-CD 3.3Å; A1016-P1056 HydrophobicContact CB-CG 4.03Å; P1056-F1058 PolarHBondContact O-N 3.46Å; P1056-Y1059 PolarHBondContact O-N 3.49Å; P1056-Y1059 VanDerWaalsContact O-N 3.13Å; P1056-K1060 PolarHBondContact O-N 2.96Å
1057	I	94.8	Very high	87.3	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-62.2	-28.1	-179.1	81.8	-172	0	0	0	112.4	V1013 V1033 W1034 N1055 Y1059 K1060 T1063	V1013-I1057 HydrophobicContact CB-CD1 4.12Å; V1013-I1057 HydrophobicContact CG2-CD1 3.64Å; V1013-I1057 WeakPolarHBondContact O-CD1 3.5Å; V1033-I1057 HydrophobicContact CG2-CD1 4.12Å; W1034-I1057 HydrophobicContact CB-CG2 4.43Å; W1034-I1057 HydrophobicContact CE3-CG2 3.86Å; N1055-I1057 WeakPolarHBondContact ND2-CD1 3.42Å; N1055-I1057 PolarHBondContact O-N 3.02Å; N1055-I1057 VanDerWaalsContact OD1-CG1 3.26Å; N1055-I1057 WeakPolarHBondContact OD1-CG1 3.47Å; N1055-I1057 WeakPolarHBondContact OD1-CG2 3.41Å; N1055-I1057 PolarHBondContact OD1-N 2.89Å; N1055-I1057 VanDerWaalsContact OD1-N 3.15Å; I1057-Y1059 PolarHBondContact O-N 3.13Å; I1057-K1060 PolarHBondContact O-N 3.33Å; I1057-T1063 WeakPolarHBondContact O-CB 3.21Å; I1057-T1063 WeakPolarHBondContact O-CG2 3.49Å; I1057-T1063 PolarHBondContact O-OG1 3.39Å
1058	F	94.1	Very high	87.9	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-66.2	-18.3	-179.4	-58.7	-19	0	0	0	112.6	H910 N1010 V1041 K1043 N1055 P1056 M1065	H910-F1058 WeakPolarHBondContact CB-O 3.38Å; N1010-F1058 VanDerWaalsContact OD1-CZ 3.27Å; N1010-F1058 WeakPolarHBondContact OD1-CZ 3.25Å; V1041-F1058 HydrophobicContact CB-CD1 4.48Å; V1041-F1058 HydrophobicContact CB-CE1 4.37Å; V1041-F1058 HydrophobicContact CG1-CD1 4.23Å; V1041-F1058 HydrophobicContact CG1-CE1 3.69Å; V1041-F1058 HydrophobicContact CG1-CZ 4.39Å; V1041-F1058 HydrophobicContact CG2-CD1 4.13Å; V1041-F1058 HydrophobicContact CG2-CE1 4.13Å; K1043-F1058 HydrophobicContact CD-CE2 4.25Å; K1043-F1058 HydrophobicContact CD-CZ 4.11Å; N1055-F1058 HydrophobicContact CB-CD1 4.24Å; N1055-F1058 HydrophobicContact CB-CD2 3.78Å; N1055-F1058 HydrophobicContact CB-CE1 3.95Å; N1055-F1058 HydrophobicContact CB-CE2 3.49Å; N1055-F1058 VanDerWaalsContact CB-CE2 3.49Å; N1055-F1058 HydrophobicContact CB-CG 4.15Å; N1055-F1058 HydrophobicContact CB-CZ 3.59Å; N1055-F1058 PolarHBondContact O-N 3.07Å; N1055-F1058 VanDerWaalsContact O-N 3.11Å; P1056-F1058 PolarHBondContact O-N 3.46Å; F1058-M1065 HydrophobicContact CB-CE 4.33Å; F1058-M1065 HydrophobicContact CB-SD 3.87Å; F1058-M1065 HydrophobicContact CD1-CE 3.86Å; F1058-M1065 HydrophobicContact CD1-SD 3.85Å; F1058-M1065 HydrophobicContact CD2-CE 4.34Å; F1058-M1065 HydrophobicContact CE1-CE 4.28Å; F1058-M1065 HydrophobicContact CG-CE 3.91Å; F1058-M1065 HydrophobicContact CG-SD 3.97Å
1059	Y	91.8	Very high	88.6	Confident	52 Å²	52	35 Å²	35	20%	0.204	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-111.3	2.5	-177	-51.8	-92.7	0	0	0	111.8	I906 H910 D1054 N1055 P1056 I1057	I906-Y1059 HydrophobicContact CD1-CD2 4.36Å; I906-Y1059 HydrophobicContact CD1-CE2 4Å; I906-Y1059 HydrophobicContact CG2-CD1 4.1Å; I906-Y1059 HydrophobicContact CG2-CD2 3.33Å; I906-Y1059 HydrophobicContact CG2-CE1 4.23Å; I906-Y1059 HydrophobicContact CG2-CE2 3.49Å; I906-Y1059 VanDerWaalsContact CG2-CE2 3.49Å; I906-Y1059 HydrophobicContact CG2-CG 3.65Å; H910-Y1059 HydrophobicContact CB-CD1 4.47Å; D1054-Y1059 PolarHBondContact OD2-OH 3.14Å; N1055-Y1059 WeakPolarHBondContact O-CD2 3.3Å; P1056-Y1059 PolarHBondContact O-N 3.49Å; P1056-Y1059 VanDerWaalsContact O-N 3.13Å; I1057-Y1059 PolarHBondContact O-N 3.13Å
1060	K	91.8	Very high	89.4	Confident	46 Å²	46	34.3 Å²	34.3	20%	0.2	20%	0.199	C	C	.	.	S	Bend	trans	-76	145.1	173.3	-69.5	-177.2	-163.5	-90	0	109.9	S1015 E1019 W1034 P1056 I1057 N1062 T1063	S1015-K1060 VanDerWaalsContact OG-CE 3.31Å; S1015-K1060 WeakPolarHBondContact OG-CE 3.27Å; E1019-K1060 IonicContact OE1-NZ 3.65Å; E1019-K1060 PolarHBondContact OE1-NZ 3.34Å; E1019-K1060 IonicContact OE2-NZ 2.78Å; E1019-K1060 PolarHBondContact OE2-NZ 3.45Å; W1034-K1060 HydrophobicContact CB-CD 3.99Å; P1056-K1060 PolarHBondContact O-N 2.96Å; I1057-K1060 PolarHBondContact O-N 3.33Å; K1060-N1062 VanDerWaalsContact C-N 3.29Å; K1060-N1062 PolarHBondContact O-N 3.11Å; K1060-T1063 PolarHBondContact O-N 2.89Å; K1060-T1063 VanDerWaalsContact O-N 3.09Å
1061	P	89.9	Confident	90.5	Very high	125 Å²	125	32.3 Å²	32.3	81%	0.812	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-23	-171.5	26.3	-35.4	0	0	0	114.5	T1063	P1061-T1063 VanDerWaalsContact C-N 3.29Å
1062	N	95.3	Very high	91.9	Very high	37 Å²	37	39 Å²	39	20%	0.198	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	13.3	175	65.5	-32.3	0	0	0	113.2	W1034 A1036 Q1038 V1039 K1060	W1034-N1062 PolarHBondContact O-ND2 3.03Å; A1036-N1062 PolarHBondContact O-ND2 2.92Å; Q1038-N1062 PolarHBondContact OE1-O 2.8Å; V1039-N1062 PolarHBondContact N-O 3.21Å; K1060-N1062 VanDerWaalsContact C-N 3.29Å; K1060-N1062 PolarHBondContact O-N 3.11Å
1063	T	97.3	Very high	93.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.9	178.1	-54.6	0	0	0	0	110.3	V1039 V1041 I1057 K1060 P1061 M1065	V1039-T1063 HydrophobicContact CB-CG2 4.25Å; V1039-T1063 HydrophobicContact CG1-CG2 4.3Å; V1039-T1063 CarbonylContact O-C 3.58Å; V1039-T1063 WeakPolarHBondContact O-CA 3.33Å; V1041-T1063 HydrophobicContact CG2-CG2 3.76Å; I1057-T1063 WeakPolarHBondContact O-CB 3.21Å; I1057-T1063 WeakPolarHBondContact O-CG2 3.49Å; I1057-T1063 PolarHBondContact O-OG1 3.39Å; K1060-T1063 PolarHBondContact O-N 2.89Å; K1060-T1063 VanDerWaalsContact O-N 3.09Å; P1061-T1063 VanDerWaalsContact C-N 3.29Å; T1063-M1065 HydrophobicContact CG2-SD 4.3Å
1064	S	97.3	Very high	94.1	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.6	172.5	-61.9	0	0	0	0	110.6	T911 Q1038 V1039 I1040 V1041	T911-S1064 CarbonylContact O-C 3.6Å; Q1038-S1064 PolarHBondContact NE2-OG 3.36Å; V1039-S1064 PolarHBondContact O-N 3.08Å; I1040-S1064 VanDerWaalsContact CA-O 3.32Å; I1040-S1064 WeakPolarHBondContact CA-O 3.48Å; V1041-S1064 PolarHBondContact N-O 3.42Å
1065	M	97.2	Very high	94.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124	177.9	-55.6	-55.1	-65.5	0	0	109.3	H910 T911 E912 V913 V1041 K1043 L1046 F1058 T1063 L1067	H910-M1065 HydrophobicContact CB-CG 4.01Å; T911-M1065 WeakPolarHBondContact O-CB 3.28Å; T911-M1065 WeakPolarHBondContact O-CG 3.49Å; T911-M1065 PolarHBondContact O-N 2.81Å; E912-M1065 WeakPolarHBondContact CA-O 3.1Å; E912-M1065 WeakPolarHBondContact CG-O 3.5Å; V913-M1065 PolarHBondContact N-O 3.27Å; V1041-M1065 HydrophobicContact CB-CE 3.85Å; V1041-M1065 HydrophobicContact CB-SD 3.83Å; V1041-M1065 HydrophobicContact CG1-CE 3.81Å; V1041-M1065 HydrophobicContact CG1-SD 4.41Å; V1041-M1065 HydrophobicContact CG2-SD 4.3Å; K1043-M1065 HydrophobicContact CD-CE 3.6Å; K1043-M1065 HydrophobicContact CG-CE 4.07Å; L1046-M1065 HydrophobicContact CD2-CE 3.9Å; L1046-M1065 HydrophobicContact CD2-CG 4.36Å; F1058-M1065 HydrophobicContact CB-CE 4.33Å; F1058-M1065 HydrophobicContact CB-SD 3.87Å; F1058-M1065 HydrophobicContact CD1-CE 3.86Å; F1058-M1065 HydrophobicContact CD1-SD 3.85Å; F1058-M1065 HydrophobicContact CD2-CE 4.34Å; F1058-M1065 HydrophobicContact CE1-CE 4.28Å; F1058-M1065 HydrophobicContact CG-CE 3.91Å; F1058-M1065 HydrophobicContact CG-SD 3.97Å; T1063-M1065 HydrophobicContact CG2-SD 4.3Å; M1065-L1067 HydrophobicContact CB-CD2 4.38Å
1066	L	97.3	Very high	94.8	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	94.7	168.5	177.6	60.7	0	0	0	108.2	V913 V915 T918 I1040 V1041 M1042 K1043 L1077	V913-L1066 HydrophobicContact CG2-CB 4.44Å; V913-L1066 WeakPolarHBondContact O-CD1 3.25Å; V915-L1066 HydrophobicContact CG2-CD1 4.23Å; T918-L1066 HydrophobicContact CG2-CD2 4.09Å; I1040-L1066 HydrophobicContact CG2-CB 3.9Å; V1041-L1066 PolarHBondContact O-N 3.48Å; M1042-L1066 WeakPolarHBondContact CA-O 3.27Å; M1042-L1066 HydrophobicContact CE-CD2 4.03Å; M1042-L1066 HydrophobicContact CG-CB 4.19Å; M1042-L1066 HydrophobicContact CG-CD2 4.12Å; M1042-L1066 HydrophobicContact CG-CG 4.47Å; M1042-L1066 HydrophobicContact SD-CD2 4.38Å; K1043-L1066 PolarHBondContact N-O 2.82Å; L1066-L1077 HydrophobicContact CD2-CD1 4.33Å
1067	L	96.1	Very high	95	Very high	50 Å²	50	35.2 Å²	35.2	26%	0.262	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	136.8	-175.2	-61.6	-175.7	0	0	0	112	K1043 M1065	K1043-L1067 HydrophobicContact CG-CD2 4Å; K1043-L1067 CarbonylContact O-C 3.58Å; K1043-L1067 VanDerWaalsContact O-CA 3.29Å; K1043-L1067 WeakPolarHBondContact O-CA 3.39Å; M1065-L1067 HydrophobicContact CB-CD2 4.38Å
1068	G	93.8	Very high	95	Very high	23 Å²	23	37 Å²	37	24%	0.237	20%	0.199	C	C	.	.	S	Bend	trans	156.2	172.7	178	0	0	0	0	0	113.6	K1043 R1044	K1043-G1068 CarbonylContact C-O 3.56Å; K1043-G1068 VanDerWaalsContact C-O 3.27Å; K1043-G1068 PolarHBondContact O-N 2.87Å; R1044-G1068 WeakPolarHBondContact CA-O 3.31Å; R1044-G1068 PolarHBondContact N-O 2.99Å
1069	D	94.3	Very high	95	Very high	64 Å²	64	39 Å²	39	34%	0.342	22%	0.216	S	C	.	.			trans	-67	133.9	167.3	175.7	-101.4	0	0	0	110.2	K1071 K1072 T1073	D1069-K1071 VanDerWaalsContact C-N 3.31Å; D1069-K1071 PolarHBondContact O-N 3.38Å; D1069-K1071 WeakPolarHBondContact OD1-CB 3.38Å; D1069-K1071 PolarHBondContact OD1-N 2.95Å; D1069-K1071 VanDerWaalsContact OD1-N 3.08Å; D1069-K1072 HydrophobicContact CB-CB 4.43Å; D1069-K1072 HydrophobicContact CB-CD 4.35Å; D1069-K1072 HydrophobicContact CB-CG 4.34Å; D1069-K1072 PolarHBondContact O-N 2.98Å; D1069-K1072 PolarHBondContact OD1-N 3.48Å; D1069-T1073 PolarHBondContact O-N 3.47Å; D1069-T1073 PolarHBondContact O-OG1 2.84Å; D1069-T1073 VanDerWaalsContact O-OG1 3.04Å
1070	A	92.7	Very high	95.1	Very high	11 Å²	11	39.5 Å²	39.5	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-37.7	-172.7	0	0	0	0	0	112.6	A939 A941 I1007 T1073 C1074	A939-A1070 HydrophobicContact CB-CB 3.99Å; A941-A1070 HydrophobicContact CB-CB 4.28Å; I1007-A1070 HydrophobicContact CG2-CB 4.49Å; A1070-T1073 PolarHBondContact O-OG1 3.33Å; A1070-C1074 VanDerWaalsContact O-CB 3.25Å; A1070-C1074 WeakPolarHBondContact O-CB 3.44Å; A1070-C1074 PolarHBondContact O-N 3.27Å; A1070-C1074 PolarHBondContact O-SG 3.34Å
1071	K	94.4	Very high	95	Very high	66 Å²	66	37.5 Å²	37.5	29%	0.287	21%	0.211	S	C	.	.	H	α-helix	trans	-65.1	-49.6	179.7	-176.3	61.7	170.3	75.5	0	110.6	A939 A941 P944 D1069 T1073 C1074 D1075	A939-K1071 HydrophobicContact CB-CB 4.3Å; A939-K1071 WeakPolarHBondContact O-CB 3.21Å; A941-K1071 HydrophobicContact CB-CD 4.38Å; P944-K1071 HydrophobicContact CG-CD 4.22Å; D1069-K1071 VanDerWaalsContact C-N 3.31Å; D1069-K1071 PolarHBondContact O-N 3.38Å; D1069-K1071 WeakPolarHBondContact OD1-CB 3.38Å; D1069-K1071 PolarHBondContact OD1-N 2.95Å; D1069-K1071 VanDerWaalsContact OD1-N 3.08Å; K1071-T1073 PolarHBondContact O-N 2.83Å; K1071-C1074 PolarHBondContact O-N 3.26Å; K1071-D1075 IonicContact NZ-OD1 3.79Å; K1071-D1075 PolarHBondContact NZ-OD1 3.01Å; K1071-D1075 IonicContact NZ-OD2 3.5Å; K1071-D1075 PolarHBondContact NZ-OD2 3.4Å; K1071-D1075 WeakPolarHBondContact O-CB 3.37Å; K1071-D1075 PolarHBondContact O-N 3.33Å
1072	K	96.3	Very high	95	Very high	157 Å²	157	36.6 Å²	36.6	68%	0.683	19%	0.191	S	C	*	.	H	α-helix	trans	-61.1	-44.1	-179	-67.2	-174.6	179.2	-178.4	0	112.4	D1069 A1076	D1069-K1072 HydrophobicContact CB-CB 4.43Å; D1069-K1072 HydrophobicContact CB-CD 4.35Å; D1069-K1072 HydrophobicContact CB-CG 4.34Å; D1069-K1072 PolarHBondContact O-N 2.98Å; D1069-K1072 PolarHBondContact OD1-N 3.48Å; K1072-A1076 WeakPolarHBondContact O-CB 3.35Å; K1072-A1076 PolarHBondContact O-N 3.17Å
1073	T	95.8	Very high	94.7	Very high	11 Å²	11	41.1 Å²	41.1	7%	0.067	21%	0.211	C	C	.	.	H	α-helix	trans	-70.8	-41.2	-179.5	51.8	0	0	0	0	111.6	M1042 D1069 A1070 K1071 A1076 L1077	M1042-T1073 WeakPolarHBondContact CE-OG1 3.28Å; D1069-T1073 PolarHBondContact O-N 3.47Å; D1069-T1073 PolarHBondContact O-OG1 2.84Å; D1069-T1073 VanDerWaalsContact O-OG1 3.04Å; A1070-T1073 PolarHBondContact O-OG1 3.33Å; K1071-T1073 PolarHBondContact O-N 2.83Å; T1073-A1076 PolarHBondContact O-N 3.34Å; T1073-L1077 VanDerWaalsContact O-CG 3.3Å; T1073-L1077 WeakPolarHBondContact O-CG 3.48Å; T1073-L1077 PolarHBondContact O-N 3.46Å
1074	C	96.5	Very high	93.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-42.3	175.9	-64.4	0	0	0	0	112.2	A941 P944 I945 A1070 K1071 A1076 L1077 Q1078	A941-C1074 HydrophobicContact CB-CB 4.4Å; P944-C1074 HydrophobicContact CB-CB 4.27Å; P944-C1074 HydrophobicContact CG-CB 3.88Å; I945-C1074 HydrophobicContact CD1-CB 4.01Å; I945-C1074 VanDerWaalsContact CD1-SG 3.57Å; I945-C1074 HydrophobicContact CG1-CB 4.04Å; A1070-C1074 VanDerWaalsContact O-CB 3.25Å; A1070-C1074 WeakPolarHBondContact O-CB 3.44Å; A1070-C1074 PolarHBondContact O-N 3.27Å; A1070-C1074 PolarHBondContact O-SG 3.34Å; K1071-C1074 PolarHBondContact O-N 3.26Å; C1074-A1076 VanDerWaalsContact C-N 3.33Å; C1074-A1076 PolarHBondContact O-N 3.41Å; C1074-L1077 PolarHBondContact O-N 3.01Å; C1074-Q1078 VanDerWaalsContact O-CB 3.3Å; C1074-Q1078 WeakPolarHBondContact O-CB 3.36Å; C1074-Q1078 PolarHBondContact O-N 2.85Å
1075	D	96.4	Very high	92.2	Very high	53 Å²	53	46.3 Å²	46.3	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-60.9	-42.4	174.5	-70.2	-21.3	0	0	0	111.5	P944 K1071 Q1078 A1079	P944-D1075 VanDerWaalsContact CB-OD1 3.31Å; P944-D1075 WeakPolarHBondContact CB-OD1 3.31Å; P944-D1075 WeakPolarHBondContact CG-OD1 3.43Å; K1071-D1075 IonicContact NZ-OD1 3.79Å; K1071-D1075 PolarHBondContact NZ-OD1 3.01Å; K1071-D1075 IonicContact NZ-OD2 3.5Å; K1071-D1075 PolarHBondContact NZ-OD2 3.4Å; K1071-D1075 WeakPolarHBondContact O-CB 3.37Å; K1071-D1075 PolarHBondContact O-N 3.33Å; D1075-Q1078 PolarHBondContact O-N 2.74Å; D1075-A1079 WeakPolarHBondContact O-CB 3.25Å; D1075-A1079 PolarHBondContact O-N 3.42Å
1076	A	96	Very high	90	Very high	34 Å²	34	53 Å²	53	28%	0.281	27%	0.273	S	S	.	.	H	α-helix	trans	-66.4	-41.5	179.3	0	0	0	0	0	112.2	V915 K1072 T1073 C1074 A1079 K1080	V915-A1076 HydrophobicContact CG1-CB 3.94Å; V915-A1076 HydrophobicContact CG2-CB 4.39Å; K1072-A1076 WeakPolarHBondContact O-CB 3.35Å; K1072-A1076 PolarHBondContact O-N 3.17Å; T1073-A1076 PolarHBondContact O-N 3.34Å; C1074-A1076 VanDerWaalsContact C-N 3.33Å; C1074-A1076 PolarHBondContact O-N 3.41Å; A1076-A1079 PolarHBondContact O-N 3.3Å; A1076-K1080 WeakPolarHBondContact O-CG 3.4Å; A1076-K1080 PolarHBondContact O-N 2.87Å
1077	L	95.7	Very high	87.2	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-47.8	174.3	-69.4	176	0	0	0	111	V915 T918 V919 I922 L948 M1042 L1066 T1073 C1074 A1079 K1080 V1081	V915-L1077 HydrophobicContact CG1-CD2 3.83Å; V915-L1077 HydrophobicContact CG1-CG 4.41Å; T918-L1077 HydrophobicContact CG2-CD1 4.25Å; T918-L1077 HydrophobicContact CG2-CD2 3.58Å; V919-L1077 HydrophobicContact CG2-CD2 3.71Å; I922-L1077 HydrophobicContact CD1-CD2 4.27Å; L948-L1077 HydrophobicContact CD2-CB 4.33Å; M1042-L1077 HydrophobicContact CE-CD1 3.76Å; M1042-L1077 HydrophobicContact SD-CD1 4.12Å; L1066-L1077 HydrophobicContact CD2-CD1 4.33Å; T1073-L1077 VanDerWaalsContact O-CG 3.3Å; T1073-L1077 WeakPolarHBondContact O-CG 3.48Å; T1073-L1077 PolarHBondContact O-N 3.46Å; C1074-L1077 PolarHBondContact O-N 3.01Å; L1077-A1079 PolarHBondContact O-N 3.48Å; L1077-K1080 PolarHBondContact O-N 3.26Å; L1077-V1081 WeakPolarHBondContact O-CB 3.4Å; L1077-V1081 WeakPolarHBondContact O-CG2 3.46Å; L1077-V1081 PolarHBondContact O-N 3.48Å
1078	Q	94.6	Very high	86.8	Confident	37 Å²	37	64.1 Å²	64.1	17%	0.173	32%	0.324	C	S	.	.	H	α-helix	trans	-57.6	-47.7	177.3	-175.5	-161.5	13	0	0	111.7	P944 E947 M951 C1074 D1075 R1082	P944-Q1078 VanDerWaalsContact CB-OE1 3.28Å; E947-Q1078 HydrophobicContact CG-CG 4.5Å; M951-Q1078 HydrophobicContact CE-CB 4.46Å; M951-Q1078 HydrophobicContact CE-CG 3.59Å; C1074-Q1078 VanDerWaalsContact O-CB 3.3Å; C1074-Q1078 WeakPolarHBondContact O-CB 3.36Å; C1074-Q1078 PolarHBondContact O-N 2.85Å; D1075-Q1078 PolarHBondContact O-N 2.74Å; Q1078-R1082 WeakPolarHBondContact O-CB 3.42Å; Q1078-R1082 PolarHBondContact O-N 3.5Å; Q1078-R1082 VanDerWaalsContact O-N 3.08Å
1079	A	94.7	Very high	86.4	Confident	42 Å²	42	66.3 Å²	66.3	35%	0.347	33%	0.329	S	S	.	.	H	α-helix	trans	-61.7	-47.2	-180	0	0	0	0	0	111.8	D1075 A1076 L1077 R1082 E1083	D1075-A1079 WeakPolarHBondContact O-CB 3.25Å; D1075-A1079 PolarHBondContact O-N 3.42Å; A1076-A1079 PolarHBondContact O-N 3.3Å; L1077-A1079 PolarHBondContact O-N 3.48Å; A1079-R1082 WeakPolarHBondContact O-CB 3.21Å; A1079-R1082 PolarHBondContact O-N 2.69Å; A1079-E1083 WeakPolarHBondContact O-CG 3.11Å; A1079-E1083 PolarHBondContact O-N 3.01Å
1080	K	93.6	Very high	86	Confident	64 Å²	64	66.4 Å²	66.4	28%	0.278	33%	0.328	S	S	.	.	H	α-helix	trans	-69	-37.8	-178.8	-73.1	-164.8	-178.4	-135.8	0	113.8	V915 E916 V919 A1076 L1077 R1082 E1083 S1084	V915-K1080 HydrophobicContact CG1-CD 4.02Å; E916-K1080 VanDerWaalsContact CG-NZ 3.29Å; E916-K1080 IonicContact OE1-NZ 2.9Å; E916-K1080 PolarHBondContact OE1-NZ 2.95Å; V919-K1080 HydrophobicContact CG1-CB 4.44Å; V919-K1080 HydrophobicContact CG2-CB 3.82Å; V919-K1080 HydrophobicContact CG2-CD 4.24Å; A1076-K1080 WeakPolarHBondContact O-CG 3.4Å; A1076-K1080 PolarHBondContact O-N 2.87Å; L1077-K1080 PolarHBondContact O-N 3.26Å; K1080-R1082 VanDerWaalsContact C-N 3.31Å; K1080-E1083 PolarHBondContact O-N 3.33Å; K1080-S1084 WeakPolarHBondContact O-CB 3.21Å; K1080-S1084 PolarHBondContact O-N 3.46Å; K1080-S1084 PolarHBondContact O-OG 3.27Å
1081	V	90.4	Very high	85.6	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.024	34%	0.342	C	S	.	.	H	α-helix	trans	-62.7	-43.6	174.5	170.2	0	0	0	0	109.8	V919 L948 L952 L1077 S1084 Q1085	V919-V1081 HydrophobicContact CG1-CG2 4.26Å; V919-V1081 HydrophobicContact CG2-CG2 4.49Å; L948-V1081 HydrophobicContact CD1-CB 3.93Å; L948-V1081 HydrophobicContact CD1-CG1 4.02Å; L948-V1081 HydrophobicContact CD1-CG2 3.83Å; L952-V1081 HydrophobicContact CD2-CG1 4.14Å; L1077-V1081 WeakPolarHBondContact O-CB 3.4Å; L1077-V1081 WeakPolarHBondContact O-CG2 3.46Å; L1077-V1081 PolarHBondContact O-N 3.48Å; V1081-S1084 WeakPolarHBondContact CA-OG 3.23Å; V1081-S1084 PolarHBondContact O-N 2.96Å; V1081-S1084 PolarHBondContact O-OG 2.87Å; V1081-Q1085 PolarHBondContact O-N 3.44Å; V1081-Q1085 VanDerWaalsContact O-N 3.08Å
1082	R	89.9	Confident	85	Confident	105 Å²	105	69.9 Å²	69.9	40%	0.396	35%	0.345	S	S	.	.	H	α-helix	trans	-59.3	-48.6	175.3	-174.6	-177.5	-61.6	-98.6	-5.8	112.4	E947 M951 Q1078 A1079 K1080 S1084 Q1085 I1086	E947-R1082 IonicContact OE1-CZ 3.02Å; E947-R1082 IonicContact OE1-NH2 3.84Å; E947-R1082 PolarHBondContact OE1-NH2 2.96Å; M951-R1082 HydrophobicContact SD-CB 3.95Å; M951-R1082 HydrophobicContact SD-CG 4.36Å; Q1078-R1082 WeakPolarHBondContact O-CB 3.42Å; Q1078-R1082 PolarHBondContact O-N 3.5Å; Q1078-R1082 VanDerWaalsContact O-N 3.08Å; A1079-R1082 WeakPolarHBondContact O-CB 3.21Å; A1079-R1082 PolarHBondContact O-N 2.69Å; K1080-R1082 VanDerWaalsContact C-N 3.31Å; R1082-S1084 PolarHBondContact O-N 2.68Å; R1082-Q1085 PolarHBondContact O-N 2.87Å; R1082-I1086 HydrophobicContact CG-CD1 4.09Å; R1082-I1086 WeakPolarHBondContact O-CG1 3.46Å; R1082-I1086 PolarHBondContact O-N 2.87Å
1083	E	87.9	Confident	84.3	Confident	132 Å²	132	64.1 Å²	64.1	62%	0.617	32%	0.323	S	S	*	.	H	α-helix	trans	-58.5	-38.4	176.8	-73.9	172.1	-174.9	0	0	111.9	A1079 K1080	A1079-E1083 WeakPolarHBondContact O-CG 3.11Å; A1079-E1083 PolarHBondContact O-N 3.01Å; K1080-E1083 PolarHBondContact O-N 3.33Å
1084	S	75.5	Confident	83.5	Confident	31 Å²	31	67.9 Å²	67.9	22%	0.217	34%	0.341	C	S	.	.	H	α-helix	trans	-79.1	-17.2	-178.1	69.1	0	0	0	0	115.9	K923 K1080 V1081 R1082	K923-S1084 VanDerWaalsContact CE-CB 3.42Å; K923-S1084 WeakPolarHBondContact CE-OG 3.2Å; K1080-S1084 WeakPolarHBondContact O-CB 3.21Å; K1080-S1084 PolarHBondContact O-N 3.46Å; K1080-S1084 PolarHBondContact O-OG 3.27Å; V1081-S1084 WeakPolarHBondContact CA-OG 3.23Å; V1081-S1084 PolarHBondContact O-N 2.96Å; V1081-S1084 PolarHBondContact O-OG 2.87Å; R1082-S1084 PolarHBondContact O-N 2.68Å
1085	Q	67.8	Low	82.5	Confident	84 Å²	84	73.1 Å²	73.1	39%	0.393	37%	0.367	S	S	.	.	H	α-helix	trans	-89.4	-16.7	174.9	-76.3	-174.1	-17.5	0	0	112.9	M951 V1081 R1082	M951-Q1085 PolarHBondContact O-NE2 2.59Å; M951-Q1085 VanDerWaalsContact O-NE2 3.11Å; V1081-Q1085 PolarHBondContact O-N 3.44Å; V1081-Q1085 VanDerWaalsContact O-N 3.08Å; R1082-Q1085 PolarHBondContact O-N 2.87Å
1086	I	51.2	Low	81.3	Confident	140 Å²	140	74.8 Å²	74.8	72%	0.718	37%	0.374	S	S	*	.	H	α-helix	trans	-85	-16.8	177.3	-65.9	169.2	0	0	0	111.3	R1082	R1082-I1086 HydrophobicContact CG-CD1 4.09Å; R1082-I1086 WeakPolarHBondContact O-CG1 3.46Å; R1082-I1086 PolarHBondContact O-N 2.87Å
1087	Q	38.2	Very low	80	Confident	223 Å²	223	78.5 Å²	78.5	100%	1.042	38%	0.383	S	S	*	.			trans	-90.2	0	168.1	-70.8	-176	-10.3	0	0	110.4

Retrieved 1,087 of 1,087 residues in 261.3 ms (Link to these results)

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