A0A3Q0KSA2_SCHMA Loading...

DH domain-containing protein

AlphaFold DB (A0A5K4EX03), UniProt , Accession A0A3Q0KSA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 809 aa.

						>A0A3Q0KSA2_SCHMA|A0A3Q0KSA2
MQRYSGQKTVSIIYDHHRNHNPSFIQQRRSFNNITIVPIEKRQRRLSFRRNNQISLEPIQHEINLSKRTHSFCLSLPAITIDSRKVVSKLSDNNINYRPMRSCNLSYGFILPEETTNNEDDVSSKSRKPSSSASSSSSVSTSGSVSASTSLSASFKQRKHVVKELVKTQADFVSDMKNVLIAFDSVSSTVTESNRYSLLGNLDQLVRVSDDISMALQKEISKYTNDQLGNACIATCINSFRLSMNEALKTYILNFSVDASTKNPEIQAFSVLGFKNLQSERPNILTLNDELIKPVQRLVKLKQLFELLKDVTPINHPDCLATTQMFNNFDQLAYDVNEVKRWKEICASVSEETRKYSLFQLVDKSTKRIIAMAARSSGSEATRKIQQKFLTEREAINHIEKSCASLQSAVESRSKRTRRFILAHKDFICFMKKTFLQQSTIKLHPDIPTNNCSSNELPIDLIINYEIAFDTLIHYMDDIYMRKMSSNVLNRLSELKKLINISKRLLDKYDNTELNIVLMEASMKNHKNVQAVVNMQLQREDNIRNLSTLQFGLQNILPSLVKSANSILISASQYAFILQSNLMQQAENLVHKCINDTEKSNISIQPGCNISPAEFIIRVDKLKSLLYETKRCRTHRTYEVPNGLNWEEESTRSDKNNLPLQESPVMSVSSHLSTSDIYTQPCLTIPTGSVISNSLSPYPEMKIIYHESDNQQEQKLCRISSGDHIKYINTKEQPSTSKLSVNDDLFDKPTHRITHDFSSKNKSVVISAKGQLVTIIRSYGRNGNTNWSLVKFHPFGEIKFVPTNYLEAI
					

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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	24.6	Very low	25.5	Very low	248 Å²	248	161.3 Å²	161.3	100%	1.222	83%	0.829	S	S	*	*				0	125.8	0	-70.5	-171.1	151.3	0	0	106.7
2	Q	26.2	Very low	25.4	Very low	173 Å²	173	158 Å²	158	81%	0.808	81%	0.812	S	S	*	*			cis	-128.5	150.6	17.4	-74.3	166.9	-30.1	0	0	110.4
3	R	23.2	Very low	25.2	Very low	237 Å²	237	157.4 Å²	157.4	89%	0.894	81%	0.809	S	S	*	*			trans	-75.4	123.4	169.6	-68.8	174.7	173.7	168.5	-2.5	109.2
4	Y	29.1	Very low	25.4	Very low	220 Å²	220	158.5 Å²	158.5	86%	0.863	80%	0.799	S	S	*	*			trans	-103	82.8	155.9	-94.5	-83.9	0	0	0	108.7	G6	Y4-G6 PolarHBondContact O-N 3.27Å
5	S	26.1	Very low	25.4	Very low	111 Å²	111	156.7 Å²	156.7	78%	0.776	79%	0.793	S	S	*	*			trans	-85.7	95.2	164.3	54.2	0	0	0	0	108.5
6	G	29	Very low	25.5	Very low	61 Å²	61	156.4 Å²	156.4	63%	0.629	79%	0.787	S	S	*	*			trans	-135.9	66.7	172.3	0	0	0	0	0	109.8	Y4 K8	Y4-G6 PolarHBondContact O-N 3.27Å; G6-K8 PolarHBondContact O-N 2.98Å
7	Q	27.9	Very low	25.8	Very low	175 Å²	175	157.8 Å²	157.8	82%	0.818	79%	0.79	S	S	*	*			trans	-61.7	101.6	173.9	-76.4	177	-16.8	0	0	109.1	T9	Q7-T9 PolarHBondContact O-N 3.06Å
8	K	26	Very low	26.1	Very low	193 Å²	193	162 Å²	162	84%	0.839	80%	0.795	S	S	*	*			trans	-69.7	109.8	170.4	-74.2	-177.6	177.4	179.1	0	108.6	G6 V10	G6-K8 PolarHBondContact O-N 2.98Å; K8-V10 PolarHBondContact O-N 3.14Å; K8-V10 VanDerWaalsContact O-N 3.13Å
9	T	24.4	Very low	26.3	Very low	132 Å²	132	159.7 Å²	159.7	81%	0.81	79%	0.786	S	S	*	*			trans	-68.7	101.3	173.7	-17.8	0	0	0	0	108.7	Q7 S11	Q7-T9 PolarHBondContact O-N 3.06Å; T9-S11 PolarHBondContact O-N 2.87Å
10	V	22.7	Very low	26.6	Very low	117 Å²	117	161.3 Å²	161.3	71%	0.709	79%	0.791	S	S	*	*			trans	-84.4	108.9	176.2	-178.7	0	0	0	0	108.4	K8 I12	K8-V10 PolarHBondContact O-N 3.14Å; K8-V10 VanDerWaalsContact O-N 3.13Å; V10-I12 HydrophobicContact CG1-CD1 4.39Å; V10-I12 HydrophobicContact CG1-CG1 3.9Å
11	S	21.8	Very low	26.9	Very low	107 Å²	107	158.2 Å²	158.2	75%	0.748	78%	0.778	S	S	*	*			trans	-87.8	109.7	174.8	-59.9	0	0	0	0	109.2	T9	T9-S11 PolarHBondContact O-N 2.87Å
12	I	24.3	Very low	27.2	Very low	122 Å²	122	151 Å²	151	63%	0.626	75%	0.75	S	S	*	*			trans	-100.7	115.2	176	-51.2	179.2	0	0	0	108.7	V10 Y14	V10-I12 HydrophobicContact CG1-CD1 4.39Å; V10-I12 HydrophobicContact CG1-CG1 3.9Å; I12-Y14 HydrophobicContact CB-CD2 4.39Å; I12-Y14 HydrophobicContact CB-CE2 4.35Å; I12-Y14 HydrophobicContact CG2-CD2 3.67Å; I12-Y14 HydrophobicContact CG2-CE2 3.45Å; I12-Y14 VanDerWaalsContact CG2-CE2 3.45Å
13	I	23.1	Very low	27.5	Very low	150 Å²	150	146 Å²	146	77%	0.769	73%	0.734	S	S	*	*			trans	-81.2	122.3	179.5	-58.2	171.2	0	0	0	108	I39	I13-I39 HydrophobicContact CG2-CD1 4.35Å
14	Y	27.2	Very low	28	Very low	173 Å²	173	140.5 Å²	140.5	68%	0.678	72%	0.717	S	S	*	*			trans	-124.2	146.2	-177.9	-99.1	-81.1	0	0	0	113	I12	I12-Y14 HydrophobicContact CB-CD2 4.39Å; I12-Y14 HydrophobicContact CB-CE2 4.35Å; I12-Y14 HydrophobicContact CG2-CD2 3.67Å; I12-Y14 HydrophobicContact CG2-CE2 3.45Å; I12-Y14 VanDerWaalsContact CG2-CE2 3.45Å
15	D	25.1	Very low	28.2	Very low	132 Å²	132	135.6 Å²	135.6	71%	0.706	70%	0.704	S	S	*	*			trans	-91.4	137	176.4	-161.2	-6.9	0	0	0	111	H17	D15-H17 VanDerWaalsContact C-N 3.27Å; D15-H17 PolarHBondContact O-N 2.77Å; D15-H17 VanDerWaalsContact O-N 3.14Å
16	H	27.7	Very low	28.6	Very low	152 Å²	152	137.8 Å²	137.8	70%	0.704	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	1.1	-157.7	-143.2	56.2	0	0	0	115.1
17	H	29.9	Very low	28.7	Very low	179 Å²	179	140.3 Å²	140.3	83%	0.829	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	8.4	-167.8	-79.9	-66.7	0	0	0	116.6	D15	D15-H17 VanDerWaalsContact C-N 3.27Å; D15-H17 PolarHBondContact O-N 2.77Å; D15-H17 VanDerWaalsContact O-N 3.14Å
18	R	31.2	Very low	28.7	Very low	234 Å²	234	141.1 Å²	141.1	88%	0.883	69%	0.693	S	S	*	*			trans	-118.1	39.3	-179.5	-73	-168.7	-176.4	-168.4	1.4	115.3	H20	R18-H20 PolarHBondContact O-N 3.48Å
19	N	30.4	Very low	29	Very low	118 Å²	118	142 Å²	142	63%	0.631	69%	0.691	S	S	*	*			trans	-81.4	10.7	-175.1	-95.2	-11.9	0	0	0	117.1
20	H	33.1	Very low	29.5	Very low	191 Å²	191	139.3 Å²	139.3	88%	0.884	68%	0.678	S	S	*	*			trans	-123.1	34.8	-173.6	-65.1	-49.1	0	0	0	115.9	R18	R18-H20 PolarHBondContact O-N 3.48Å
21	N	31.3	Very low	29.7	Very low	97 Å²	97	140.1 Å²	140.1	52%	0.519	67%	0.673	S	S	.	*			trans	-114.6	116	169.6	-159.6	-32.8	0	0	0	111.8	S23 F24	N21-S23 VanDerWaalsContact CG-OG 3.28Å; N21-S23 PolarHBondContact O-N 3Å; N21-S23 PolarHBondContact OD1-N 3.13Å; N21-S23 PolarHBondContact OD1-OG 3.35Å; N21-F24 WeakPolarHBondContact O-CB 3.15Å; N21-F24 PolarHBondContact O-N 3.02Å; N21-F24 VanDerWaalsContact O-N 3.13Å
22	P	30.6	Very low	30	Very low	98 Å²	98	142.2 Å²	142.2	64%	0.636	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-21.5	-176.3	22.7	-31.9	0	0	0	114.3	F24 I25	P22-F24 PolarHBondContact O-N 3.41Å; P22-I25 PolarHBondContact O-N 2.89Å; P22-I25 VanDerWaalsContact O-N 3.17Å
23	S	34.5	Very low	30.2	Very low	66 Å²	66	143 Å²	143	46%	0.462	68%	0.68	S	S	.	*	H	α-helix	trans	-59	-25.9	172.7	56.5	0	0	0	0	113.2	N21	N21-S23 VanDerWaalsContact CG-OG 3.28Å; N21-S23 PolarHBondContact O-N 3Å; N21-S23 PolarHBondContact OD1-N 3.13Å; N21-S23 PolarHBondContact OD1-OG 3.35Å
24	F	31.8	Very low	30.3	Very low	122 Å²	122	141.2 Å²	141.2	54%	0.535	67%	0.671	S	S	.	*	H	α-helix	trans	-79.8	-23.8	179.8	-117.4	-92.3	0	0	0	113.6	N21 P22 Q26 Q27 R28	N21-F24 WeakPolarHBondContact O-CB 3.15Å; N21-F24 PolarHBondContact O-N 3.02Å; N21-F24 VanDerWaalsContact O-N 3.13Å; P22-F24 PolarHBondContact O-N 3.41Å; F24-Q26 VanDerWaalsContact C-N 3.28Å; F24-Q26 PolarHBondContact O-N 3.34Å; F24-Q27 PolarHBondContact O-N 3.47Å; F24-R28 PolarHBondContact O-N 3.26Å
25	I	33.5	Very low	30.1	Very low	117 Å²	117	139.2 Å²	139.2	60%	0.6	68%	0.678	S	S	*	*	H	α-helix	trans	-68.5	-32.5	177.7	-62.7	174.7	0	0	0	110.4	P22 R28	P22-I25 PolarHBondContact O-N 2.89Å; P22-I25 VanDerWaalsContact O-N 3.17Å; I25-R28 WeakPolarHBondContact O-CB 3.46Å; I25-R28 PolarHBondContact O-N 3.11Å
26	Q	35.3	Very low	30.1	Very low	157 Å²	157	138.9 Å²	138.9	73%	0.734	67%	0.674	S	S	*	*	H	α-helix	trans	-70.1	-36.6	177	-115.7	162.9	-12.2	0	0	112.6	F24 R28 R29	F24-Q26 VanDerWaalsContact C-N 3.28Å; F24-Q26 PolarHBondContact O-N 3.34Å; Q26-R28 VanDerWaalsContact C-N 3.3Å; Q26-R28 PolarHBondContact O-N 3.2Å; Q26-R29 PolarHBondContact O-N 3.49Å
27	Q	31.8	Very low	29.9	Very low	114 Å²	114	137.5 Å²	137.5	53%	0.533	68%	0.676	S	S	.	*	H	α-helix	trans	-71.2	-23	174.1	-77	-177.9	-12.5	0	0	113.3	F24 R29 S30	F24-Q27 PolarHBondContact O-N 3.47Å; Q27-R29 VanDerWaalsContact C-N 3.27Å; Q27-R29 PolarHBondContact O-N 2.88Å; Q27-S30 PolarHBondContact O-N 2.95Å; Q27-S30 PolarHBondContact O-OG 3.31Å
28	R	27.3	Very low	29.5	Very low	192 Å²	192	133.9 Å²	133.9	73%	0.725	67%	0.669	S	S	*	*	H	α-helix	trans	-63.8	-31.1	174.2	-118.8	-177.2	177.9	-169.4	-0.5	112.9	F24 I25 Q26	F24-R28 PolarHBondContact O-N 3.26Å; I25-R28 WeakPolarHBondContact O-CB 3.46Å; I25-R28 PolarHBondContact O-N 3.11Å; Q26-R28 VanDerWaalsContact C-N 3.3Å; Q26-R28 PolarHBondContact O-N 3.2Å
29	R	32.2	Very low	29.2	Very low	211 Å²	211	129.3 Å²	129.3	80%	0.796	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-20.4	-179.9	-71.7	-172.3	177	-178	-0.4	113.6	Q26 Q27	Q26-R29 PolarHBondContact O-N 3.49Å; Q27-R29 VanDerWaalsContact C-N 3.27Å; Q27-R29 PolarHBondContact O-N 2.88Å
30	S	34	Very low	28.9	Very low	77 Å²	77	132.1 Å²	132.1	54%	0.538	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.8	-6.9	-179.1	53.4	0	0	0	0	114.2	Q27	Q27-S30 PolarHBondContact O-N 2.95Å; Q27-S30 PolarHBondContact O-OG 3.31Å
31	F	28	Very low	28.4	Very low	134 Å²	134	131.9 Å²	131.9	59%	0.588	67%	0.666	S	S	*	*			trans	-131.1	79.6	-176.1	-66.9	-76.9	0	0	0	111.7	N33 I34	F31-N33 PolarHBondContact O-N 2.83Å; F31-N33 VanDerWaalsContact O-N 3.09Å; F31-I34 HydrophobicContact CB-CD1 3.82Å; F31-I34 HydrophobicContact CB-CG1 4.29Å; F31-I34 HydrophobicContact CG-CD1 4.33Å
32	N	28.8	Very low	28	Very low	150 Å²	150	137.7 Å²	137.7	80%	0.802	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	0.4	-179.1	-88.2	-8.2	0	0	0	115.9
33	N	26.7	Very low	27.6	Very low	138 Å²	138	141.3 Å²	141.3	74%	0.738	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.7	31.1	-171.7	-74.3	-6.3	0	0	0	115.2	F31	F31-N33 PolarHBondContact O-N 2.83Å; F31-N33 VanDerWaalsContact O-N 3.09Å
34	I	25.1	Very low	27.2	Very low	113 Å²	113	148.5 Å²	148.5	58%	0.579	71%	0.706	S	S	*	*			trans	-108.4	103.2	177.6	-56.5	176.9	0	0	0	110.3	F31 I36	F31-I34 HydrophobicContact CB-CD1 3.82Å; F31-I34 HydrophobicContact CB-CG1 4.29Å; F31-I34 HydrophobicContact CG-CD1 4.33Å; I34-I36 HydrophobicContact CG2-CG1 4.09Å
35	T	24.7	Very low	26.6	Very low	132 Å²	132	153.9 Å²	153.9	81%	0.81	72%	0.723	S	S	*	*			trans	-84	114.9	169	-48.3	0	0	0	0	109.3
36	I	24.3	Very low	26	Very low	124 Å²	124	156.7 Å²	156.7	64%	0.636	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-92.8	117.8	-179.6	-58.3	174	0	0	0	108.5	I34	I34-I36 HydrophobicContact CG2-CG1 4.09Å
37	V	23.1	Very low	25.4	Very low	123 Å²	123	154.6 Å²	154.6	75%	0.745	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-97.6	120	175	-175.3	0	0	0	0	109.4
38	P	22.8	Very low	24.8	Very low	104 Å²	104	158.1 Å²	158.1	68%	0.675	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-68.1	144.7	178.3	-16.6	29.4	0	0	0	112.9	E40	P38-E40 PolarHBondContact O-N 3.1Å
39	I	23.5	Very low	24.5	Very low	138 Å²	138	160.9 Å²	160.9	71%	0.708	77%	0.765	S	S	*	*			trans	-74.2	94.7	172	-60.6	171.2	0	0	0	108.5	I13 K41	I13-I39 HydrophobicContact CG2-CD1 4.35Å; I39-K41 PolarHBondContact O-N 3.37Å
40	E	24.4	Very low	23.8	Very low	176 Å²	176	160.7 Å²	160.7	82%	0.822	77%	0.765	S	S	*	*			trans	-71.4	117	164.7	-80.2	-173	167.2	0	0	109.9	P38 R42	P38-E40 PolarHBondContact O-N 3.1Å; E40-R42 PolarHBondContact O-N 3.07Å
41	K	23.2	Very low	23.2	Very low	187 Å²	187	163.7 Å²	163.7	81%	0.813	78%	0.775	S	S	*	*			trans	-57	92.5	172.4	-72.7	177.2	176.7	174.7	0	110.3	I39 Q43	I39-K41 PolarHBondContact O-N 3.37Å; K41-Q43 PolarHBondContact O-N 2.91Å
42	R	23.1	Very low	23	Very low	219 Å²	219	163.7 Å²	163.7	83%	0.826	78%	0.781	S	S	*	*			trans	-72.3	80.6	166.6	-93.2	-176.3	167.8	149.3	-0.6	110.5	E40 R44	E40-R42 PolarHBondContact O-N 3.07Å; R42-R44 PolarHBondContact O-N 3.37Å; R42-R44 VanDerWaalsContact O-N 3.15Å
43	Q	21.6	Very low	22.5	Very low	173 Å²	173	164.6 Å²	164.6	81%	0.808	78%	0.78	S	S	*	*			trans	-68.5	93.6	156.8	-76.9	177.7	-20.5	0	0	108.6	K41 R45	K41-Q43 PolarHBondContact O-N 2.91Å; Q43-R45 PolarHBondContact O-N 2.82Å
44	R	25.2	Very low	22.4	Very low	217 Å²	217	166.2 Å²	166.2	82%	0.819	79%	0.787	S	S	*	*			trans	-87.2	98.4	164.4	-83.7	-170.3	176	177.5	-0.4	109.3	R42 L46	R42-R44 PolarHBondContact O-N 3.37Å; R42-R44 VanDerWaalsContact O-N 3.15Å; R44-L46 PolarHBondContact O-N 2.97Å
45	R	20.9	Very low	22.1	Very low	235 Å²	235	166.3 Å²	166.3	89%	0.887	80%	0.798	S	S	*	*			trans	-42.6	126.2	167.8	-75.8	172.7	159	180	-6.8	111.7	Q43 S47	Q43-R45 PolarHBondContact O-N 2.82Å; R45-S47 PolarHBondContact O-N 2.81Å
46	L	20.6	Very low	21.8	Very low	177 Å²	177	167.9 Å²	167.9	93%	0.927	80%	0.801	S	S	*	*			trans	-67.2	101.4	159.9	-75.1	156	0	0	0	108.2	R44	R44-L46 PolarHBondContact O-N 2.97Å
47	S	21.5	Very low	21.5	Very low	113 Å²	113	170.5 Å²	170.5	79%	0.79	81%	0.81	S	S	*	*			trans	-91	104.1	169.1	56.7	0	0	0	0	109.7	R45 R49	R45-S47 PolarHBondContact O-N 2.81Å; S47-R49 PolarHBondContact O-N 2.77Å
48	F	19	Very low	21.4	Very low	187 Å²	187	170.3 Å²	170.3	82%	0.82	81%	0.812	S	S	*	*			trans	-46.1	126.5	159.1	-111.4	-106.8	0	0	0	110.5
49	R	21.9	Very low	21.4	Very low	250 Å²	250	173.3 Å²	173.3	94%	0.943	82%	0.82	S	S	*	*			trans	-114.7	106.4	157	-115.2	-175	179.3	-174.3	-0.4	108.2	S47	S47-R49 PolarHBondContact O-N 2.77Å
50	R	18.1	Very low	21.2	Very low	207 Å²	207	175.6 Å²	175.6	78%	0.781	83%	0.828	S	S	*	*			trans	-71.6	164.6	162	-80.8	179.5	172.1	157	-3.1	109.9
51	N	21.2	Very low	21.1	Very low	140 Å²	140	175.2 Å²	175.2	75%	0.749	83%	0.825	S	S	*	*			trans	97.1	126	166.6	-58.8	1.3	0	0	0	112.9
52	N	23.1	Very low	21	Very low	135 Å²	135	174.5 Å²	174.5	72%	0.722	83%	0.825	S	S	*	*			cis	-157.2	163	16.6	-99	-16.2	0	0	0	111.1
53	Q	18.7	Very low	20.9	Very low	169 Å²	169	169.8 Å²	169.8	79%	0.79	82%	0.815	S	S	*	*			trans	-35	149.1	167.9	-71.2	154.9	-53.8	0	0	115.3
54	I	23.5	Very low	20.8	Very low	171 Å²	171	167 Å²	167	88%	0.877	81%	0.806	S	S	*	*				-161.5	128.8	122.5	-87.4	141.4	0	0	0	110.1
55	S	18.8	Very low	20.7	Very low	115 Å²	115	164.1 Å²	164.1	80%	0.804	81%	0.806	S	S	*	*			trans	13.2	136.1	161.6	-138.5	0	0	0	0	123.6
56	L	18.3	Very low	20.8	Very low	166 Å²	166	156.8 Å²	156.8	87%	0.869	79%	0.79	S	S	*	*			trans	-72.3	131	163.9	-69.7	134.3	0	0	0	111.1
57	E	19.8	Very low	21	Very low	178 Å²	178	157.3 Å²	157.3	83%	0.832	79%	0.785	S	S	*	*			trans	-146.5	148.7	145.8	-86.9	-137.1	161.6	0	0	109.7	I59	E57-I59 PolarHBondContact O-N 2.76Å
58	P	20.9	Very low	21	Very low	120 Å²	120	163.1 Å²	163.1	78%	0.779	79%	0.79	S	S	*	*			trans	-89.1	105.6	-159.7	33.6	-29.7	0	0	0	111.2
59	I	21.9	Very low	21.2	Very low	167 Å²	167	160 Å²	160	86%	0.856	79%	0.786	S	S	*	*			trans	-90.8	123.6	172.2	-59.7	176	0	0	0	109	E57	E57-I59 PolarHBondContact O-N 2.76Å
60	Q	20.1	Very low	21.2	Very low	185 Å²	185	156 Å²	156	86%	0.864	78%	0.778	S	S	*	*			trans	-53.1	143.1	-177	-67.9	-176.3	-35.6	0	0	113.4	E62	Q60-E62 PolarHBondContact O-N 2.99Å
61	H	21.8	Very low	21.5	Very low	168 Å²	168	150.5 Å²	150.5	78%	0.778	77%	0.771	S	S	*	*			trans	-58	97.6	-179.8	-86.2	-96.3	0	0	0	113.1	I63	H61-I63 WeakPolarHBondContact ND1-CD1 3.46Å; H61-I63 WeakPolarHBondContact ND1-CG1 3.35Å
62	E	20.8	Very low	21.5	Very low	173 Å²	173	153.7 Å²	153.7	81%	0.808	78%	0.779	S	S	*	*			trans	-107.7	89.2	142.6	-93.3	-170.2	162.6	0	0	107.8	Q60 N64	Q60-E62 PolarHBondContact O-N 2.99Å; E62-N64 PolarHBondContact O-N 2.84Å
63	I	20.3	Very low	21.5	Very low	119 Å²	119	151.4 Å²	151.4	61%	0.61	77%	0.773	S	S	*	*			trans	-72.2	84.6	169.4	-59.2	178.2	0	0	0	107	H61 L65	H61-I63 WeakPolarHBondContact ND1-CD1 3.46Å; H61-I63 WeakPolarHBondContact ND1-CG1 3.35Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 HydrophobicContact CG2-CD1 4.12Å; I63-L65 HydrophobicContact CG2-CG 3.85Å; I63-L65 PolarHBondContact O-N 3.02Å
64	N	21.4	Very low	21.9	Very low	115 Å²	115	149.3 Å²	149.3	62%	0.615	77%	0.766	S	S	*	*			trans	-73.7	89.2	168.3	-134	-42.7	0	0	0	107.5	E62 S66	E62-N64 PolarHBondContact O-N 2.84Å; N64-S66 PolarHBondContact O-N 2.81Å; N64-S66 PolarHBondContact OD1-OG 2.83Å
65	L	22.7	Very low	21.8	Very low	156 Å²	156	147.4 Å²	147.4	82%	0.817	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	4.8	-178.1	-95.1	146.7	0	0	0	114.4	I63	I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 HydrophobicContact CG2-CD1 4.12Å; I63-L65 HydrophobicContact CG2-CG 3.85Å; I63-L65 PolarHBondContact O-N 3.02Å
66	S	23.3	Very low	21.9	Very low	81 Å²	81	147.8 Å²	147.8	57%	0.566	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-8	-179.6	60.4	0	0	0	0	115.3	N64	N64-S66 PolarHBondContact O-N 2.81Å; N64-S66 PolarHBondContact OD1-OG 2.83Å
67	K	23.6	Very low	22.2	Very low	188 Å²	188	145.6 Å²	145.6	82%	0.817	76%	0.756	S	S	*	*	S	Bend	trans	-107.8	7.5	-173.3	-74.1	-173	179.6	175.8	0	117.3
68	R	21.1	Very low	22.2	Very low	235 Å²	235	141 Å²	141	89%	0.887	75%	0.748	S	S	*	*			trans	-114.7	5.6	-178.8	-100.1	-174.1	-179.8	-178	2.3	117.5	H70	R68-H70 PolarHBondContact O-N 2.91Å
69	T	24	Very low	22.3	Very low	121 Å²	121	142.6 Å²	142.6	74%	0.742	75%	0.749	S	S	*	*			trans	-86.9	90.9	163.9	47	0	0	0	0	108.6	S71	T69-S71 PolarHBondContact O-N 3.34Å
70	H	22.2	Very low	22.2	Very low	167 Å²	167	140.3 Å²	140.3	77%	0.773	74%	0.743	S	S	*	*			trans	-59.3	90.7	160	-80.2	-81.7	0	0	0	107.9	R68 F72	R68-H70 PolarHBondContact O-N 2.91Å; H70-F72 PolarHBondContact O-N 3.17Å
71	S	23.8	Very low	22.3	Very low	91 Å²	91	138.2 Å²	138.2	64%	0.636	74%	0.736	S	S	*	*			trans	-65.3	103.5	166.7	62.4	0	0	0	0	106.8	T69 C73	T69-S71 PolarHBondContact O-N 3.34Å; S71-C73 PolarHBondContact O-N 2.94Å
72	F	21.8	Very low	22.4	Very low	208 Å²	208	134.6 Å²	134.6	91%	0.912	72%	0.722	S	S	*	*			trans	-66.1	83.1	163.7	-89.1	-92.7	0	0	0	107.7	H70	H70-F72 PolarHBondContact O-N 3.17Å
73	C	23.8	Very low	22.5	Very low	87 Å²	87	131.2 Å²	131.2	59%	0.588	72%	0.718	S	S	*	*			trans	-72.3	126.7	172.5	-77.2	0	0	0	0	109.9	S71	S71-C73 PolarHBondContact O-N 2.94Å
74	L	25.3	Very low	22.7	Very low	125 Å²	125	136 Å²	136	65%	0.654	73%	0.728	S	S	*	*			trans	62.5	106.9	145.2	-55.4	171.7	0	0	0	118.2	L76	L74-L76 HydrophobicContact CD2-CD1 4.28Å; L74-L76 PolarHBondContact O-N 3.36Å
75	S	21.8	Very low	22.9	Very low	130 Å²	130	137.6 Å²	137.6	91%	0.909	73%	0.729	S	S	*	*			trans	-90.7	59.7	144	60.2	0	0	0	0	109.8
76	L	22.1	Very low	23.1	Very low	124 Å²	124	135.5 Å²	135.5	65%	0.649	72%	0.723	S	S	*	*	S	Bend	trans	-106.9	154.4	152.1	-81.1	167.3	0	0	0	106	L74 A78	L74-L76 HydrophobicContact CD2-CD1 4.28Å; L74-L76 PolarHBondContact O-N 3.36Å; L76-A78 PolarHBondContact O-N 3.4Å
77	P	23	Very low	23.3	Very low	120 Å²	120	138 Å²	138	78%	0.779	73%	0.734	S	S	*	*			trans	-45.2	110.4	-171.2	-26	32.2	0	0	0	110.9	I79	P77-I79 PolarHBondContact O-N 2.88Å
78	A	21	Very low	23.4	Very low	80 Å²	80	133.3 Å²	133.3	66%	0.661	73%	0.725	S	S	*	*			trans	-68.8	96.3	-170.8	0	0	0	0	0	109	L76 T80	L76-A78 PolarHBondContact O-N 3.4Å; A78-T80 PolarHBondContact O-N 3.2Å; A78-T80 PolarHBondContact O-OG1 2.91Å
79	I	22	Very low	23.4	Very low	155 Å²	155	130.5 Å²	130.5	80%	0.795	72%	0.719	S	S	*	*			trans	-75.4	84.7	155.4	-57.6	177.2	0	0	0	105	P77 I81	P77-I79 PolarHBondContact O-N 2.88Å; I79-I81 HydrophobicContact CG2-CG1 4.17Å; I79-I81 PolarHBondContact O-N 2.84Å; I79-I81 VanDerWaalsContact O-N 3.12Å
80	T	20.2	Very low	23.4	Very low	119 Å²	119	133 Å²	133	73%	0.73	73%	0.727	S	S	*	*			trans	-75.7	96.5	178.7	-24.2	0	0	0	0	107.9	A78 D82	A78-T80 PolarHBondContact O-N 3.2Å; A78-T80 PolarHBondContact O-OG1 2.91Å; T80-D82 PolarHBondContact O-N 3.36Å
81	I	21.8	Very low	23.7	Very low	140 Å²	140	129.2 Å²	129.2	72%	0.718	72%	0.72	S	S	*	*			trans	-88.1	96	164.6	-55.3	-179.8	0	0	0	106.2	I79 S83	I79-I81 HydrophobicContact CG2-CG1 4.17Å; I79-I81 PolarHBondContact O-N 2.84Å; I79-I81 VanDerWaalsContact O-N 3.12Å; I81-S83 PolarHBondContact O-N 3.34Å; I81-S83 VanDerWaalsContact O-N 3.17Å
82	D	23.6	Very low	23.7	Very low	93 Å²	93	132.5 Å²	132.5	50%	0.497	73%	0.73	S	S	.	*			trans	-68.9	106	174.4	-176.2	-5.4	0	0	0	109.5	T80 R84 K85	T80-D82 PolarHBondContact O-N 3.36Å; D82-R84 PolarHBondContact O-N 3.45Å; D82-R84 PolarHBondContact OD1-N 3.4Å; D82-R84 VanDerWaalsContact OD1-N 3.15Å; D82-K85 PolarHBondContact O-N 3.07Å
83	S	24.2	Very low	23.7	Very low	102 Å²	102	129.9 Å²	129.9	71%	0.713	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-2.9	-177.3	29.3	0	0	0	0	114.5	I81	I81-S83 PolarHBondContact O-N 3.34Å; I81-S83 VanDerWaalsContact O-N 3.17Å
84	R	24.5	Very low	23.6	Very low	218 Å²	218	132.9 Å²	132.9	82%	0.823	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-8.2	174.1	-62.9	-171	-154.5	171.1	7.7	115	D82	D82-R84 PolarHBondContact O-N 3.45Å; D82-R84 PolarHBondContact OD1-N 3.4Å; D82-R84 VanDerWaalsContact OD1-N 3.15Å
85	K	25.4	Very low	23.5	Very low	149 Å²	149	134.6 Å²	134.6	65%	0.648	74%	0.744	S	S	*	*	S	Bend	trans	-96.8	2.6	179.3	-92.7	-177.8	177	174.4	0	115.8	D82	D82-K85 PolarHBondContact O-N 3.07Å
86	V	26.4	Very low	23.5	Very low	112 Å²	112	135.6 Å²	135.6	68%	0.679	74%	0.739	S	S	*	*	S	Bend	trans	-83.9	-14.7	178.9	-179.8	0	0	0	0	113.2
87	V	26.9	Very low	23.5	Very low	134 Å²	134	140.3 Å²	140.3	81%	0.812	75%	0.75	S	S	*	*	S	Bend	trans	-103.5	2	-174.7	-173.5	0	0	0	0	114.3
88	S	26.2	Very low	23.3	Very low	89 Å²	89	146.2 Å²	146.2	62%	0.622	76%	0.757	S	S	*	*	S	Bend	trans	-132.9	20.4	-174.6	52.8	0	0	0	0	117
89	K	22.7	Very low	23.4	Very low	176 Å²	176	148.3 Å²	148.3	77%	0.765	76%	0.764	S	S	*	*			trans	-132.8	48	172.7	-72.3	-164.4	171.9	-163	0	113.6
90	L	23.5	Very low	23.2	Very low	174 Å²	174	149.9 Å²	149.9	91%	0.911	77%	0.77	S	S	*	*	S	Bend	trans	-93.7	11.8	167.7	-95.1	161.3	0	0	0	113.3
91	S	26.9	Very low	23.3	Very low	88 Å²	88	156.3 Å²	156.3	62%	0.615	78%	0.781	S	S	*	*	S	Bend	trans	-139.5	133.2	170	60.9	0	0	0	0	110.2
92	D	24.3	Very low	23.4	Very low	160 Å²	160	154.1 Å²	154.1	86%	0.856	78%	0.778	S	S	*	*			trans	96.5	106.9	167.3	-51.2	-27.6	0	0	0	117.9
93	N	22.5	Very low	23.3	Very low	153 Å²	153	155 Å²	155	82%	0.818	79%	0.79	S	S	*	*			trans	-54.4	159.2	171.5	-74.5	-39.6	0	0	0	114.2
94	N	21.8	Very low	23.1	Very low	150 Å²	150	157.3 Å²	157.3	80%	0.802	80%	0.795	S	S	*	*			trans	74.7	108.5	162.3	-65.9	-23.5	0	0	0	117.9
95	I	23.8	Very low	23.1	Very low	160 Å²	160	154.8 Å²	154.8	82%	0.821	80%	0.796	S	S	*	*				-179.8	132	108.9	-85.4	153.5	0	0	0	110
96	N	20	Very low	22.9	Very low	152 Å²	152	152 Å²	152	81%	0.813	80%	0.796	S	S	*	*			trans	-61.9	132	-179.8	-67.3	-58.6	0	0	0	114.3
97	Y	22	Very low	22.9	Very low	222 Å²	222	156.9 Å²	156.9	87%	0.871	80%	0.804	S	S	*	*			trans	-140.7	120.4	145.1	-97.1	-81.6	0	0	0	109.8	P99	Y97-P99 WeakPolarHBondContact O-CD 3.13Å
98	R	19	Very low	22.6	Very low	245 Å²	245	152.8 Å²	152.8	93%	0.925	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-75.8	123.8	172.6	-88.1	-180	168.2	176.9	-2.4	110.7
99	P	23	Very low	22.5	Very low	124 Å²	124	157.5 Å²	157.5	81%	0.805	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-102.4	151	158.1	1	21.6	0	0	0	111.2	Y97	Y97-P99 WeakPolarHBondContact O-CD 3.13Å
100	M	19.6	Very low	22.4	Very low	188 Å²	188	156.3 Å²	156.3	93%	0.926	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-59.6	145.1	-174	-77.9	-153.7	154.9	0	0	114.6	S102	M100-S102 PolarHBondContact O-N 2.94Å
101	R	21.9	Very low	22.4	Very low	254 Å²	254	154 Å²	154	96%	0.958	79%	0.787	S	S	*	*			trans	-59.8	84.2	177.3	-70.5	175.6	168.9	176.2	-5.3	112
102	S	22.9	Very low	22.3	Very low	94 Å²	94	155 Å²	155	66%	0.657	79%	0.791	S	S	*	*			trans	-83.7	146.3	144.4	52	0	0	0	0	108	M100 N104	M100-S102 PolarHBondContact O-N 2.94Å; S102-N104 PolarHBondContact O-N 3.3Å
103	C	21.9	Very low	22.2	Very low	112 Å²	112	155.8 Å²	155.8	76%	0.757	79%	0.79	S	S	*	*			trans	-53.9	103	-171.1	-48.1	0	0	0	0	111.5	L105	C103-L105 PolarHBondContact O-N 3.37Å
104	N	21	Very low	22.3	Very low	150 Å²	150	156.7 Å²	156.7	80%	0.802	79%	0.789	S	S	*	*			trans	-67.5	97	165.4	-78.6	-29.3	0	0	0	107.8	S102 S106	S102-N104 PolarHBondContact O-N 3.3Å; N104-S106 PolarHBondContact O-N 3.25Å
105	L	24.4	Very low	22.4	Very low	164 Å²	164	154.8 Å²	154.8	86%	0.859	78%	0.783	S	S	*	*			trans	-75.4	82.1	152.7	-131	79.8	0	0	0	106.7	C103 Y107	C103-L105 PolarHBondContact O-N 3.37Å; L105-Y107 PolarHBondContact O-N 3.48Å; L105-Y107 VanDerWaalsContact O-N 3.15Å
106	S	19.8	Very low	22.6	Very low	92 Å²	92	152.9 Å²	152.9	64%	0.643	78%	0.779	S	S	*	*			trans	-60.9	105.7	168.7	155.5	0	0	0	0	108.7	N104	N104-S106 PolarHBondContact O-N 3.25Å
107	Y	26.5	Very low	22.7	Very low	213 Å²	213	152.2 Å²	152.2	84%	0.835	78%	0.776	S	S	*	*			trans	-109.5	78.2	141.9	-95.1	-89.7	0	0	0	106.6	L105	L105-Y107 PolarHBondContact O-N 3.48Å; L105-Y107 VanDerWaalsContact O-N 3.15Å
108	G	21.7	Very low	23	Very low	49 Å²	49	149.1 Å²	149.1	51%	0.505	77%	0.774	S	S	.	*			trans	-60.3	135.7	168.2	0	0	0	0	0	110	I110	G108-I110 PolarHBondContact O-N 2.63Å
109	F	23	Very low	23.1	Very low	187 Å²	187	146 Å²	146	82%	0.82	77%	0.77	S	S	*	*			trans	-60	92.9	168.8	-162	-101	0	0	0	108.6	L111	F109-L111 HydrophobicContact CD1-CD1 4.12Å; F109-L111 HydrophobicContact CD1-CG 4.16Å; F109-L111 HydrophobicContact CE1-CD1 3.44Å; F109-L111 VanDerWaalsContact CE1-CD1 3.44Å; F109-L111 HydrophobicContact CE1-CG 3.69Å; F109-L111 HydrophobicContact CZ-CD1 4.26Å; F109-L111 HydrophobicContact CZ-CG 4.32Å
110	I	21.6	Very low	23.2	Very low	152 Å²	152	147.8 Å²	147.8	78%	0.779	77%	0.773	S	S	*	*			trans	-100.9	97.6	164.3	-57.3	178.1	0	0	0	105.7	G108 P112	G108-I110 PolarHBondContact O-N 2.63Å; I110-P112 WeakPolarHBondContact O-CD 3.34Å
111	L	23.2	Very low	23.6	Very low	124 Å²	124	146.4 Å²	146.4	65%	0.649	77%	0.769	S	S	*	*			trans	-63.5	121.1	155.2	-80.2	159.2	0	0	0	106.3	F109 E113	F109-L111 HydrophobicContact CD1-CD1 4.12Å; F109-L111 HydrophobicContact CD1-CG 4.16Å; F109-L111 HydrophobicContact CE1-CD1 3.44Å; F109-L111 VanDerWaalsContact CE1-CD1 3.44Å; F109-L111 HydrophobicContact CE1-CG 3.69Å; F109-L111 HydrophobicContact CZ-CD1 4.26Å; F109-L111 HydrophobicContact CZ-CG 4.32Å; L111-E113 PolarHBondContact O-N 3.4Å; L111-E113 VanDerWaalsContact O-N 3.11Å
112	P	24.1	Very low	23.8	Very low	110 Å²	110	140.4 Å²	140.4	71%	0.714	76%	0.76	S	S	*	*			trans	-69.7	104.9	159.4	-2.2	20	0	0	0	105.6	I110 E114	I110-P112 WeakPolarHBondContact O-CD 3.34Å; P112-E114 PolarHBondContact O-N 2.8Å; P112-E114 VanDerWaalsContact O-N 3.13Å
113	E	23.7	Very low	24.1	Very low	176 Å²	176	141.2 Å²	141.2	82%	0.822	77%	0.766	S	S	*	*			trans	-60.9	110.9	154.7	-83.5	-178.9	161	0	0	105.9	L111 T115	L111-E113 PolarHBondContact O-N 3.4Å; L111-E113 VanDerWaalsContact O-N 3.11Å; E113-T115 PolarHBondContact O-N 2.79Å
114	E	24.6	Very low	24.1	Very low	173 Å²	173	140.5 Å²	140.5	81%	0.808	76%	0.763	S	S	*	*			trans	-61.9	91	166	-72.6	179.1	169.5	0	0	107.4	P112 T116	P112-E114 PolarHBondContact O-N 2.8Å; P112-E114 VanDerWaalsContact O-N 3.13Å; E114-T116 PolarHBondContact O-N 3.27Å
115	T	22.5	Very low	24.3	Very low	110 Å²	110	142.8 Å²	142.8	68%	0.675	77%	0.765	S	S	*	*			trans	-64	91	160.2	50.3	0	0	0	0	106.8	E113 N117	E113-T115 PolarHBondContact O-N 2.79Å; T115-N117 PolarHBondContact O-N 2.85Å
116	T	28	Very low	24.3	Very low	120 Å²	120	139.7 Å²	139.7	74%	0.736	76%	0.757	S	S	*	*			trans	-72.1	82.6	166.9	39.4	0	0	0	0	107.7	E114 N118	E114-T116 PolarHBondContact O-N 3.27Å; T116-N118 VanDerWaalsContact C-N 3.26Å; T116-N118 PolarHBondContact O-N 2.79Å
117	N	22.1	Very low	24.4	Very low	138 Å²	138	146 Å²	146	74%	0.738	77%	0.767	S	S	*	*			trans	-69.5	88.9	161.5	-72.4	-14.2	0	0	0	107.5	T115	T115-N117 PolarHBondContact O-N 2.85Å
118	N	28.3	Very low	24.2	Very low	157 Å²	157	145.2 Å²	145.2	84%	0.84	77%	0.768	S	S	*	*			trans	-125.3	74.4	154.9	-81.8	-16.1	0	0	0	106.5	T116	T116-N118 VanDerWaalsContact C-N 3.26Å; T116-N118 PolarHBondContact O-N 2.79Å
119	E	20.7	Very low	25.3	Very low	178 Å²	178	148.3 Å²	148.3	83%	0.832	78%	0.779	S	S	*	*			trans	-70.9	125	147.9	-68	-172.5	149.8	0	0	106.5
120	D	26.9	Very low	25.6	Very low	162 Å²	162	144.5 Å²	144.5	87%	0.866	78%	0.775	S	S	*	*			trans	139.5	88.6	162.2	-71.8	-18.8	0	0	0	109.3
121	D	27.4	Very low	25.8	Very low	159 Å²	159	142.6 Å²	142.6	85%	0.85	78%	0.776	S	S	*	*				-179.3	133	98.8	-160.4	6.2	0	0	0	110.6
122	V	24.9	Very low	26.1	Very low	128 Å²	128	142.7 Å²	142.7	78%	0.776	79%	0.787	S	S	*	*			trans	-88.1	112.4	-178.8	169.1	0	0	0	0	107.3
123	S	29.8	Very low	26.3	Very low	112 Å²	112	141.9 Å²	141.9	78%	0.783	79%	0.79	S	S	*	*			trans	-151	87.5	153	-160	0	0	0	0	112.4
124	S	22.2	Very low	26.7	Very low	97 Å²	97	139.5 Å²	139.5	68%	0.678	79%	0.792	S	S	*	*			trans	-61.7	120.5	152.7	47.5	0	0	0	0	111.3
125	K	25.1	Very low	26.8	Very low	198 Å²	198	137.1 Å²	137.1	86%	0.861	80%	0.795	S	S	*	*				167.4	128.4	126.1	-102.1	169.4	176.6	166.8	0	114.4
126	S	23.8	Very low	27.2	Very low	99 Å²	99	137 Å²	137	69%	0.692	80%	0.799	S	S	*	*				86.5	105.2	122.6	-159	0	0	0	0	120.6
127	R	21.9	Very low	27.2	Very low	224 Å²	224	137.3 Å²	137.3	85%	0.845	81%	0.805	S	S	*	*				52.9	124.4	121.6	-70.4	178.5	163.4	170	-2.9	120.8
128	K	23.9	Very low	27.6	Very low	197 Å²	197	135.6 Å²	135.6	86%	0.857	80%	0.804	S	S	*	*				94.1	161	125.1	-95.7	-166.3	176.7	-174.6	0	119.5
129	P	43.9	Very low	27.8	Very low	114 Å²	114	134.4 Å²	134.4	74%	0.74	80%	0.803	S	S	*	*				-126.3	173.4	-116.7	44.1	-29.6	0	0	0	115.7
130	S	28.9	Very low	28.2	Very low	106 Å²	106	131 Å²	131	74%	0.741	80%	0.799	S	S	*	*			trans	-171.9	110.6	150.9	44.7	0	0	0	0	108.1
131	S	25.6	Very low	28.5	Very low	113 Å²	113	129.5 Å²	129.5	79%	0.79	80%	0.795	S	S	*	*				59.3	96.8	84.5	72.5	0	0	0	0	115.1
132	S	30.8	Very low	28.8	Very low	126 Å²	126	127.7 Å²	127.7	88%	0.881	80%	0.795	S	S	*	*				-177.2	137.9	125.5	47.3	0	0	0	0	111.2
133	A	26.7	Very low	29.2	Very low	93 Å²	93	124.9 Å²	124.9	77%	0.769	79%	0.792	S	S	*	*			trans	-74.2	150.1	-172.5	0	0	0	0	0	112.9
134	S	32.8	Very low	29.6	Very low	125 Å²	125	124 Å²	124	87%	0.874	79%	0.785	S	S	*	*			trans	-160.3	116.6	137.8	-79.3	0	0	0	0	109.1
135	S	26.5	Very low	30.7	Very low	123 Å²	123	124.4 Å²	124.4	86%	0.86	78%	0.784	S	S	*	*			trans	-66.2	127.5	175	44.4	0	0	0	0	112.2
136	S	31.6	Very low	31.7	Very low	109 Å²	109	119.8 Å²	119.8	76%	0.762	78%	0.776	S	S	*	*			trans	-151	104.8	144.2	62	0	0	0	0	108.9	S138	S136-S138 PolarHBondContact O-N 2.78Å
137	S	27.5	Very low	32.6	Very low	125 Å²	125	117.9 Å²	117.9	87%	0.874	77%	0.767	S	S	*	*			trans	-58.4	111	169.5	48.9	0	0	0	0	110.9
138	S	31.2	Very low	33.8	Very low	103 Å²	103	110.4 Å²	110.4	72%	0.72	75%	0.748	S	S	*	*			trans	-124.7	112.5	154.8	53.2	0	0	0	0	108.1	S136 S140	S136-S138 PolarHBondContact O-N 2.78Å; S138-S140 PolarHBondContact O-N 2.82Å
139	V	32	Very low	35.3	Very low	132 Å²	132	105.1 Å²	105.1	80%	0.8	73%	0.733	S	S	*	*			trans	-52.6	112.1	178	171.9	0	0	0	0	108.5	T141	V139-T141 PolarHBondContact O-N 2.87Å; V139-T141 VanDerWaalsContact O-N 3.14Å
140	S	28.7	Very low	36.1	Very low	107 Å²	107	103.1 Å²	103.1	75%	0.748	72%	0.722	S	S	*	*			trans	-76	94.2	170.7	-62	0	0	0	0	108	S138 S142	S138-S140 PolarHBondContact O-N 2.82Å; S140-S142 VanDerWaalsContact C-N 3.28Å; S140-S142 PolarHBondContact O-N 2.97Å
141	T	33.1	Very low	37.7	Very low	129 Å²	129	103.5 Å²	103.5	79%	0.791	72%	0.715	S	S	*	*			trans	-72.7	89.8	166.6	-5.1	0	0	0	0	108.1	V139 G143	V139-T141 PolarHBondContact O-N 2.87Å; V139-T141 VanDerWaalsContact O-N 3.14Å; T141-G143 PolarHBondContact O-N 3.32Å; T141-G143 VanDerWaalsContact O-N 3.13Å
142	S	33.5	Very low	40.1	Very low	122 Å²	122	100.8 Å²	100.8	85%	0.853	70%	0.696	S	S	*	*			trans	-59.3	105.7	167.7	-53.6	0	0	0	0	109.6	S140	S140-S142 VanDerWaalsContact C-N 3.28Å; S140-S142 PolarHBondContact O-N 2.97Å
143	G	33.3	Very low	42.4	Very low	68 Å²	68	97.4 Å²	97.4	70%	0.701	68%	0.675	S	S	*	*			trans	-171.8	2.3	177.8	0	0	0	0	0	117.4	T141	T141-G143 PolarHBondContact O-N 3.32Å; T141-G143 VanDerWaalsContact O-N 3.13Å
144	S	38.6	Very low	45.1	Very low	93 Å²	93	95 Å²	95	65%	0.65	65%	0.653	S	S	*	*			trans	-100.5	6	-172.6	57.1	0	0	0	0	115.6	S148	S144-S148 PolarHBondContact O-OG 3.14Å
145	V	45	Very low	47.8	Very low	107 Å²	107	92.2 Å²	92.2	65%	0.648	63%	0.625	S	S	*	*	H	α-helix	trans	-80.3	-31	-176.5	-170.8	0	0	0	0	112.2	S148 T149	V145-S148 PolarHBondContact O-OG 2.8Å; V145-T149 WeakPolarHBondContact O-CB 3.34Å; V145-T149 PolarHBondContact O-N 2.8Å; V145-T149 PolarHBondContact O-OG1 3.31Å
146	S	45.7	Very low	50.9	Low	100 Å²	100	93.1 Å²	93.1	70%	0.699	61%	0.614	S	S	*	*	H	α-helix	trans	-77	-35.9	-174.2	-54.4	0	0	0	0	114.2	S150	S146-S150 PolarHBondContact O-N 3.28Å
147	A	43.6	Very low	53.8	Low	60 Å²	60	92 Å²	92	50%	0.496	60%	0.596	S	S	.	*	H	α-helix	trans	-77.5	-39.1	179.6	0	0	0	0	0	112.6	T149 S150 L151	A147-T149 VanDerWaalsContact C-N 3.34Å; A147-T149 PolarHBondContact O-N 3.35Å; A147-S150 PolarHBondContact O-N 2.92Å; A147-S150 PolarHBondContact O-OG 2.8Å; A147-S150 VanDerWaalsContact O-OG 3.11Å; A147-L151 WeakPolarHBondContact O-CD1 3.3Å; A147-L151 PolarHBondContact O-N 2.73Å
148	S	47	Very low	57	Low	66 Å²	66	86.1 Å²	86.1	46%	0.462	56%	0.555	S	S	.	*	H	α-helix	trans	-65	-37.9	176.1	51.6	0	0	0	0	111.9	S144 V145 S152	S144-S148 PolarHBondContact O-OG 3.14Å; V145-S148 PolarHBondContact O-OG 2.8Å; S148-S152 WeakPolarHBondContact O-CB 3.39Å; S148-S152 PolarHBondContact O-N 3.25Å; S148-S152 VanDerWaalsContact O-N 3.07Å
149	T	54.6	Low	60.1	Low	86 Å²	86	83.1 Å²	83.1	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-67.7	-40.6	177.1	-55.8	0	0	0	0	112.4	V145 A147 S152 A153	V145-T149 WeakPolarHBondContact O-CB 3.34Å; V145-T149 PolarHBondContact O-N 2.8Å; V145-T149 PolarHBondContact O-OG1 3.31Å; A147-T149 VanDerWaalsContact C-N 3.34Å; A147-T149 PolarHBondContact O-N 3.35Å; T149-S152 PolarHBondContact O-N 3.49Å; T149-A153 WeakPolarHBondContact O-CB 3.48Å; T149-A153 PolarHBondContact O-N 3.3Å
150	S	60.5	Low	63.1	Low	72 Å²	72	82.4 Å²	82.4	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-70.2	-40.9	180	73.4	0	0	0	0	112.8	S146 A147 A153 S154	S146-S150 PolarHBondContact O-N 3.28Å; A147-S150 PolarHBondContact O-N 2.92Å; A147-S150 PolarHBondContact O-OG 2.8Å; A147-S150 VanDerWaalsContact O-OG 3.11Å; S150-A153 PolarHBondContact O-N 3.26Å; S150-S154 PolarHBondContact O-N 3.22Å
151	L	64.3	Low	66.4	Low	115 Å²	115	77.4 Å²	77.4	60%	0.602	48%	0.481	S	S	*	.	H	α-helix	trans	-61.4	-43.3	173.3	-81.3	154.8	0	0	0	111.3	A147 S154 F155	A147-L151 WeakPolarHBondContact O-CD1 3.3Å; A147-L151 PolarHBondContact O-N 2.73Å; L151-S154 PolarHBondContact O-N 3.39Å; L151-F155 WeakPolarHBondContact O-CB 3.18Å; L151-F155 PolarHBondContact O-N 2.77Å
152	S	74.3	Confident	69.4	Low	56 Å²	56	71.2 Å²	71.2	39%	0.392	44%	0.444	S	S	.	.	H	α-helix	trans	-62.8	-42	175.4	-173.8	0	0	0	0	112.3	S148 T149 F155 K156	S148-S152 WeakPolarHBondContact O-CB 3.39Å; S148-S152 PolarHBondContact O-N 3.25Å; S148-S152 VanDerWaalsContact O-N 3.07Å; T149-S152 PolarHBondContact O-N 3.49Å; S152-F155 PolarHBondContact O-N 2.93Å; S152-K156 WeakPolarHBondContact O-CG 3.43Å; S152-K156 PolarHBondContact O-N 3.22Å
153	A	78.9	Confident	72.4	Confident	54 Å²	54	69.2 Å²	69.2	45%	0.446	42%	0.419	S	S	.	.	H	α-helix	trans	-64.6	-46.1	178	0	0	0	0	0	112.3	T149 S150 F155 K156 Q157	T149-A153 WeakPolarHBondContact O-CB 3.48Å; T149-A153 PolarHBondContact O-N 3.3Å; S150-A153 PolarHBondContact O-N 3.26Å; A153-F155 VanDerWaalsContact C-N 3.28Å; A153-F155 PolarHBondContact O-N 2.93Å; A153-K156 PolarHBondContact O-N 3.2Å; A153-Q157 PolarHBondContact O-N 2.87Å
154	S	83.7	Confident	75.5	Confident	42 Å²	42	69.7 Å²	69.7	29%	0.294	40%	0.403	S	S	.	.	H	α-helix	trans	-59.3	-41.3	175.4	-169.5	0	0	0	0	111.6	S150 L151 Q157 R158 V311	S150-S154 PolarHBondContact O-N 3.22Å; L151-S154 PolarHBondContact O-N 3.39Å; S154-Q157 PolarHBondContact O-N 2.68Å; S154-R158 PolarHBondContact O-N 3.29Å; S154-V311 PolarHBondContact OG-O 3.1Å
155	F	90.1	Very high	78.3	Confident	68 Å²	68	65.2 Å²	65.2	30%	0.298	37%	0.372	S	S	.	.	H	α-helix	trans	-65.8	-44.6	178	-176.5	-97.8	0	0	0	112.7	L151 S152 A153 Q157 R158 K159 D226 N230	L151-F155 WeakPolarHBondContact O-CB 3.18Å; L151-F155 PolarHBondContact O-N 2.77Å; S152-F155 PolarHBondContact O-N 2.93Å; A153-F155 VanDerWaalsContact C-N 3.28Å; A153-F155 PolarHBondContact O-N 2.93Å; F155-Q157 VanDerWaalsContact C-N 3.31Å; F155-Q157 PolarHBondContact O-N 3.16Å; F155-R158 PolarHBondContact O-N 3.49Å; F155-K159 PolarHBondContact O-N 3.44Å; F155-D226 VanDerWaalsContact CE1-O 3.31Å; F155-D226 WeakPolarHBondContact CE1-O 3.41Å; F155-N230 VanDerWaalsContact CE2-OD1 3.28Å; F155-N230 WeakPolarHBondContact CE2-OD1 3.16Å
156	K	91	Very high	80.8	Confident	142 Å²	142	60.5 Å²	60.5	62%	0.617	34%	0.344	S	S	*	.	H	α-helix	trans	-59.2	-42.7	174.8	-74.2	177.4	-176.1	-176.4	0	111.5	S152 A153 K159 H160	S152-K156 WeakPolarHBondContact O-CG 3.43Å; S152-K156 PolarHBondContact O-N 3.22Å; A153-K156 PolarHBondContact O-N 3.2Å; K156-K159 PolarHBondContact O-N 2.87Å; K156-H160 PolarHBondContact O-N 3.41Å; K156-H160 VanDerWaalsContact O-N 3.1Å
157	Q	93	Very high	83.2	Confident	84 Å²	84	60.8 Å²	60.8	39%	0.393	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-47.1	176.1	-170	65.4	14.6	0	0	111	A153 S154 F155 K159 H160 V161 V311	A153-Q157 PolarHBondContact O-N 2.87Å; S154-Q157 PolarHBondContact O-N 2.68Å; F155-Q157 VanDerWaalsContact C-N 3.31Å; F155-Q157 PolarHBondContact O-N 3.16Å; Q157-K159 PolarHBondContact O-N 3.18Å; Q157-H160 WeakPolarHBondContact O-CB 3.39Å; Q157-H160 PolarHBondContact O-N 3.11Å; Q157-H160 VanDerWaalsContact O-N 3.1Å; Q157-V161 WeakPolarHBondContact O-CG2 3.42Å; Q157-V161 PolarHBondContact O-N 3.33Å; Q157-V311 HydrophobicContact CB-CG1 4.24Å; Q157-V311 HydrophobicContact CG-CB 4.3Å; Q157-V311 HydrophobicContact CG-CG1 3.61Å
158	R	96	Very high	85.8	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-57.7	-46.6	175.9	-169.9	175	-166.8	-65.6	-5.2	112.1	S154 F155 H160 V161 V162 G229 A231 L308 V311 T312 D318	S154-R158 PolarHBondContact O-N 3.29Å; F155-R158 PolarHBondContact O-N 3.49Å; R158-H160 VanDerWaalsContact C-N 3.25Å; R158-H160 PolarHBondContact O-N 2.89Å; R158-V161 PolarHBondContact O-N 2.84Å; R158-V161 VanDerWaalsContact O-N 3.17Å; R158-V162 HydrophobicContact CG-CG2 4.33Å; R158-V162 VanDerWaalsContact O-CG2 3.28Å; R158-V162 WeakPolarHBondContact O-CG2 3.45Å; R158-V162 PolarHBondContact O-N 3.02Å; R158-G229 VanDerWaalsContact CD-O 3.3Å; R158-G229 WeakPolarHBondContact CD-O 3.39Å; R158-G229 PolarHBondContact NH1-O 3.42Å; R158-A231 PolarHBondContact NH1-O 3.24Å; R158-A231 PolarHBondContact NH2-O 3.12Å; R158-L308 HydrophobicContact CG-CD1 4Å; R158-V311 HydrophobicContact CB-CG2 3.87Å; R158-V311 HydrophobicContact CG-CG2 4.18Å; R158-T312 PolarHBondContact NE-OG1 3.16Å; R158-D318 IonicContact NH2-OD2 2.75Å; R158-D318 PolarHBondContact NH2-OD2 2.9Å
159	K	95.5	Very high	88.2	Confident	40 Å²	40	56.3 Å²	56.3	17%	0.174	30%	0.296	C	S	.	.	H	α-helix	trans	-53.2	-42.8	174.7	167.2	173.8	165.3	174.9	0	111.6	F155 K156 Q157 K163 N225 D226 L228	F155-K159 PolarHBondContact O-N 3.44Å; K156-K159 PolarHBondContact O-N 2.87Å; Q157-K159 PolarHBondContact O-N 3.18Å; K159-K163 WeakPolarHBondContact O-CG 3.13Å; K159-K163 PolarHBondContact O-N 3.31Å; K159-K163 VanDerWaalsContact O-N 3.1Å; K159-N225 WeakPolarHBondContact CD-O 3.41Å; K159-N225 WeakPolarHBondContact CE-O 3.5Å; K159-N225 PolarHBondContact NZ-O 3.48Å; K159-D226 IonicContact NZ-OD1 2.93Å; K159-D226 PolarHBondContact NZ-OD1 3.47Å; K159-L228 HydrophobicContact CG-CB 4.27Å
160	H	95.4	Very high	90.3	Very high	117 Å²	117	53.7 Å²	53.7	54%	0.542	28%	0.282	S	S	.	.	H	α-helix	trans	-67	-44.4	178.5	-171	72.4	0	0	0	112.4	K156 Q157 R158 V162 K163 E164	K156-H160 PolarHBondContact O-N 3.41Å; K156-H160 VanDerWaalsContact O-N 3.1Å; Q157-H160 WeakPolarHBondContact O-CB 3.39Å; Q157-H160 PolarHBondContact O-N 3.11Å; Q157-H160 VanDerWaalsContact O-N 3.1Å; R158-H160 VanDerWaalsContact C-N 3.25Å; R158-H160 PolarHBondContact O-N 2.89Å; H160-V162 VanDerWaalsContact C-N 3.33Å; H160-V162 PolarHBondContact O-N 3.47Å; H160-K163 PolarHBondContact O-N 3.43Å; H160-E164 PolarHBondContact O-N 3.25Å
161	V	96.7	Very high	92	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-41.8	177.5	-178.2	0	0	0	0	111.4	Q157 R158 E164 L165 L307 L308 V311	Q157-V161 WeakPolarHBondContact O-CG2 3.42Å; Q157-V161 PolarHBondContact O-N 3.33Å; R158-V161 PolarHBondContact O-N 2.84Å; R158-V161 VanDerWaalsContact O-N 3.17Å; V161-E164 PolarHBondContact O-N 2.83Å; V161-L165 WeakPolarHBondContact O-CB 3.45Å; V161-L165 PolarHBondContact O-N 2.98Å; V161-L307 HydrophobicContact CG2-CD2 3.51Å; V161-L307 HydrophobicContact CG2-CG 3.66Å; V161-L308 HydrophobicContact CB-CD1 4.28Å; V161-L308 HydrophobicContact CG1-CB 3.87Å; V161-L308 HydrophobicContact CG1-CD1 3.93Å; V161-L308 HydrophobicContact CG1-CG 4.44Å; V161-V311 HydrophobicContact CG2-CG2 4.31Å
162	V	97.4	Very high	93.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-48.6	175.7	169.2	0	0	0	0	110.9	R158 H160 E164 L165 V166 I220 A231 I233 L308	R158-V162 HydrophobicContact CG-CG2 4.33Å; R158-V162 VanDerWaalsContact O-CG2 3.28Å; R158-V162 WeakPolarHBondContact O-CG2 3.45Å; R158-V162 PolarHBondContact O-N 3.02Å; H160-V162 VanDerWaalsContact C-N 3.33Å; H160-V162 PolarHBondContact O-N 3.47Å; V162-E164 PolarHBondContact O-N 3.04Å; V162-L165 PolarHBondContact O-N 3.28Å; V162-V166 WeakPolarHBondContact O-CG2 3.32Å; V162-V166 PolarHBondContact O-N 3.31Å; V162-V166 VanDerWaalsContact O-N 3.09Å; V162-I220 HydrophobicContact CG1-CG2 4.49Å; V162-A231 HydrophobicContact CG1-CB 4.44Å; V162-I233 HydrophobicContact CB-CD1 4.05Å; V162-I233 HydrophobicContact CG1-CD1 4.12Å; V162-I233 HydrophobicContact CG1-CG2 4.04Å; V162-I233 HydrophobicContact CG2-CD1 3.67Å; V162-I233 HydrophobicContact CG2-CG1 4.1Å; V162-L308 HydrophobicContact CG2-CD1 4.32Å
163	K	96.1	Very high	94.8	Very high	79 Å²	79	46.6 Å²	46.6	34%	0.343	24%	0.235	S	C	.	.	H	α-helix	trans	-58.5	-47.7	177.4	-78.1	-175.8	173.9	-164.3	0	112.2	K159 H160 L165 V166 K167 N225 L228	K159-K163 WeakPolarHBondContact O-CG 3.13Å; K159-K163 PolarHBondContact O-N 3.31Å; K159-K163 VanDerWaalsContact O-N 3.1Å; H160-K163 PolarHBondContact O-N 3.43Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 3.43Å; K163-V166 PolarHBondContact O-N 2.99Å; K163-K167 VanDerWaalsContact O-CB 3.24Å; K163-K167 WeakPolarHBondContact O-CB 3.43Å; K163-K167 PolarHBondContact O-N 2.62Å; K163-N225 WeakPolarHBondContact CE-OD1 3.46Å; K163-N225 PolarHBondContact NZ-OD1 3.47Å; K163-L228 HydrophobicContact CD-CD1 4.31Å; K163-L228 VanDerWaalsContact CE-CD1 3.42Å; K163-L228 HydrophobicContact CG-CD1 3.87Å
164	E	97.3	Very high	95.6	Very high	78 Å²	78	46.7 Å²	46.7	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-41.9	-179.5	-177.4	63.9	-174.3	0	0	111.4	H160 V161 V162 T168 L304	H160-E164 PolarHBondContact O-N 3.25Å; V161-E164 PolarHBondContact O-N 2.83Å; V162-E164 PolarHBondContact O-N 3.04Å; E164-T168 HydrophobicContact CG-CG2 4.14Å; E164-T168 VanDerWaalsContact O-CB 3.29Å; E164-T168 WeakPolarHBondContact O-CB 3.32Å; E164-T168 WeakPolarHBondContact O-CG2 3.4Å; E164-T168 PolarHBondContact O-N 3.06Å; E164-T168 PolarHBondContact O-OG1 3.4Å; E164-T168 WeakPolarHBondContact OE1-CG2 3.11Å; E164-L304 HydrophobicContact CG-CD2 3.99Å
165	L	97.8	Very high	96.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-47.9	179.2	-165.8	153.1	0	0	0	111.4	V161 V162 K163 T168 Q169 L216 I233 I237 L304 F305	V161-L165 WeakPolarHBondContact O-CB 3.45Å; V161-L165 PolarHBondContact O-N 2.98Å; V162-L165 PolarHBondContact O-N 3.28Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 3.43Å; L165-T168 PolarHBondContact O-OG1 3.22Å; L165-Q169 VanDerWaalsContact O-CB 3.3Å; L165-Q169 WeakPolarHBondContact O-CB 3.41Å; L165-Q169 PolarHBondContact O-N 2.97Å; L165-L216 HydrophobicContact CD2-CD1 3.93Å; L165-I233 HydrophobicContact CB-CD1 4.29Å; L165-I233 HydrophobicContact CD1-CD1 4.09Å; L165-I233 HydrophobicContact CD2-CD1 4.4Å; L165-I233 HydrophobicContact CG-CD1 4.48Å; L165-I237 HydrophobicContact CD1-CD1 4.3Å; L165-I237 HydrophobicContact CD2-CD1 3.41Å; L165-I237 VanDerWaalsContact CD2-CD1 3.41Å; L165-I237 HydrophobicContact CG-CD1 4.49Å; L165-L304 HydrophobicContact CD1-CB 4.37Å; L165-L304 HydrophobicContact CG-CD1 4.45Å; L165-F305 HydrophobicContact CD1-CD2 4.2Å; L165-F305 HydrophobicContact CD1-CE2 3.71Å; L165-F305 HydrophobicContact CD1-CZ 4.03Å
166	V	97.5	Very high	96.6	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-67.6	-45.6	-179	177.4	0	0	0	0	111.3	V162 K163 Q169 A170 L216 I220 I233	V162-V166 WeakPolarHBondContact O-CG2 3.32Å; V162-V166 PolarHBondContact O-N 3.31Å; V162-V166 VanDerWaalsContact O-N 3.09Å; K163-V166 PolarHBondContact O-N 2.99Å; V166-Q169 PolarHBondContact O-N 3.32Å; V166-A170 PolarHBondContact O-N 3.44Å; V166-A170 VanDerWaalsContact O-N 3.09Å; V166-L216 HydrophobicContact CG1-CB 4.41Å; V166-L216 HydrophobicContact CG2-CB 4.2Å; V166-L216 HydrophobicContact CG2-CD1 4.38Å; V166-L216 HydrophobicContact CG2-CD2 4.37Å; V166-I220 HydrophobicContact CG1-CD1 3.82Å; V166-I220 HydrophobicContact CG2-CG2 3.96Å; V166-I233 HydrophobicContact CG2-CG2 4.47Å
167	K	97.3	Very high	96.8	Very high	107 Å²	107	39.4 Å²	39.4	47%	0.465	20%	0.196	S	C	.	.	H	α-helix	trans	-60.2	-53.5	177.8	-176.8	-171.5	172.8	-169.4	0	111.1	K163 Q169 A170 D171	K163-K167 VanDerWaalsContact O-CB 3.24Å; K163-K167 WeakPolarHBondContact O-CB 3.43Å; K163-K167 PolarHBondContact O-N 2.62Å; K167-Q169 PolarHBondContact O-N 3.47Å; K167-A170 PolarHBondContact O-N 3.35Å; K167-A170 VanDerWaalsContact O-N 3.08Å; K167-D171 VanDerWaalsContact O-CG 3.3Å; K167-D171 PolarHBondContact O-N 3.46Å
168	T	97.6	Very high	97	Very high	26 Å²	26	37.1 Å²	37.1	16%	0.16	19%	0.187	C	C	.	.	H	α-helix	trans	-67	-24	-177.8	61.2	0	0	0	0	113.2	E164 L165 F172 R297	E164-T168 HydrophobicContact CG-CG2 4.14Å; E164-T168 VanDerWaalsContact O-CB 3.29Å; E164-T168 WeakPolarHBondContact O-CB 3.32Å; E164-T168 WeakPolarHBondContact O-CG2 3.4Å; E164-T168 PolarHBondContact O-N 3.06Å; E164-T168 PolarHBondContact O-OG1 3.4Å; E164-T168 WeakPolarHBondContact OE1-CG2 3.11Å; L165-T168 PolarHBondContact O-OG1 3.22Å; T168-F172 VanDerWaalsContact O-CB 3.27Å; T168-F172 WeakPolarHBondContact O-CB 3.26Å; T168-F172 PolarHBondContact O-N 2.99Å; T168-R297 PolarHBondContact OG1-NH1 3.4Å
169	Q	98	Very high	97	Very high	6 Å²	6	37 Å²	37	3%	0.028	19%	0.187	C	C	.	.	H	α-helix	trans	-69.2	-45.9	170.6	-177.1	62.5	22.2	0	0	111.3	L165 V166 K167 F172 V173 S209 I212 L216 R297	L165-Q169 VanDerWaalsContact O-CB 3.3Å; L165-Q169 WeakPolarHBondContact O-CB 3.41Å; L165-Q169 PolarHBondContact O-N 2.97Å; V166-Q169 PolarHBondContact O-N 3.32Å; K167-Q169 PolarHBondContact O-N 3.47Å; Q169-F172 PolarHBondContact O-N 2.86Å; Q169-V173 WeakPolarHBondContact O-CG2 3.43Å; Q169-V173 PolarHBondContact O-N 3.5Å; Q169-S209 PolarHBondContact NE2-O 3.2Å; Q169-I212 HydrophobicContact CG-CG2 4.23Å; Q169-L216 HydrophobicContact CB-CD1 4.23Å; Q169-L216 HydrophobicContact CG-CD1 4.08Å; Q169-R297 VanDerWaalsContact CA-NH2 3.33Å
170	A	97.9	Very high	97	Very high	30 Å²	30	36 Å²	36	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-43.9	176.4	0	0	0	0	0	111.7	V166 K167 F172 V173 S174	V166-A170 PolarHBondContact O-N 3.44Å; V166-A170 VanDerWaalsContact O-N 3.09Å; K167-A170 PolarHBondContact O-N 3.35Å; K167-A170 VanDerWaalsContact O-N 3.08Å; A170-F172 PolarHBondContact O-N 3.21Å; A170-V173 PolarHBondContact O-N 2.86Å; A170-S174 PolarHBondContact O-N 3.17Å
171	D	97.3	Very high	97	Very high	75 Å²	75	34.5 Å²	34.5	40%	0.401	18%	0.178	S	C	.	.	H	α-helix	trans	-60.5	-45.1	176.5	-65.3	-18.4	0	0	0	111.1	K167 V173 S174 D175	K167-D171 VanDerWaalsContact O-CG 3.3Å; K167-D171 PolarHBondContact O-N 3.46Å; D171-V173 PolarHBondContact O-N 3.37Å; D171-S174 PolarHBondContact O-N 2.92Å; D171-D175 WeakPolarHBondContact O-CB 3.42Å; D171-D175 PolarHBondContact O-N 3.49Å
172	F	98.1	Very high	96.9	Very high	14 Å²	14	34.5 Å²	34.5	6%	0.061	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-44.7	176.2	173.7	-101.9	0	0	0	112.2	T168 Q169 A170 M176 L205 P294 R297	T168-F172 VanDerWaalsContact O-CB 3.27Å; T168-F172 WeakPolarHBondContact O-CB 3.26Å; T168-F172 PolarHBondContact O-N 2.99Å; Q169-F172 PolarHBondContact O-N 2.86Å; A170-F172 PolarHBondContact O-N 3.21Å; F172-M176 HydrophobicContact CD2-CG 4.14Å; F172-M176 HydrophobicContact CE1-CG 4.25Å; F172-M176 HydrophobicContact CE2-CG 3.71Å; F172-M176 HydrophobicContact CE2-SD 4.19Å; F172-M176 HydrophobicContact CZ-CG 3.77Å; F172-M176 VanDerWaalsContact O-CG 3.27Å; F172-M176 WeakPolarHBondContact O-CG 3.49Å; F172-M176 PolarHBondContact O-N 2.94Å; F172-M176 VanDerWaalsContact O-N 3.08Å; F172-L205 HydrophobicContact CZ-CD2 4.13Å; F172-L205 HydrophobicContact CZ-CG 4.43Å; F172-P294 HydrophobicContact CE2-CB 4.47Å; F172-P294 HydrophobicContact CE2-CG 4.08Å; F172-P294 HydrophobicContact CZ-CB 4.38Å; F172-P294 HydrophobicContact CZ-CG 4.12Å; F172-R297 HydrophobicContact CD1-CG 4.41Å; F172-R297 HydrophobicContact CD2-CB 4.21Å; F172-R297 HydrophobicContact CD2-CG 4.12Å; F172-R297 HydrophobicContact CE1-CG 4.43Å; F172-R297 HydrophobicContact CE2-CB 3.97Å; F172-R297 HydrophobicContact CE2-CG 4.14Å; F172-R297 HydrophobicContact CG-CG 4.25Å; F172-R297 HydrophobicContact CZ-CB 4.38Å; F172-R297 HydrophobicContact CZ-CG 4.3Å
173	V	98.2	Very high	96.8	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.03	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-45.2	177.9	170.9	0	0	0	0	111.1	Q169 A170 D171 M176 K177 S209 D210	Q169-V173 WeakPolarHBondContact O-CG2 3.43Å; Q169-V173 PolarHBondContact O-N 3.5Å; A170-V173 PolarHBondContact O-N 2.86Å; D171-V173 PolarHBondContact O-N 3.37Å; V173-M176 PolarHBondContact O-N 2.7Å; V173-K177 HydrophobicContact CG1-CD 3.9Å; V173-K177 HydrophobicContact CG1-CG 4.27Å; V173-K177 WeakPolarHBondContact O-CB 3.46Å; V173-K177 WeakPolarHBondContact O-CG 3.46Å; V173-K177 PolarHBondContact O-N 3.38Å; V173-S209 VanDerWaalsContact CG2-C 3.43Å; V173-S209 WeakPolarHBondContact CG2-O 3.29Å; V173-D210 HydrophobicContact CG1-CB 4Å; V173-D210 WeakPolarHBondContact CG1-OD1 3.22Å
174	S	96.8	Very high	96.6	Very high	56 Å²	56	35.7 Å²	35.7	39%	0.392	19%	0.188	S	C	.	.	H	α-helix	trans	-60.7	-47.7	178.1	179.8	0	0	0	0	111.5	A170 D171 M176 K177 N178	A170-S174 PolarHBondContact O-N 3.17Å; D171-S174 PolarHBondContact O-N 2.92Å; S174-M176 VanDerWaalsContact C-N 3.35Å; S174-M176 PolarHBondContact O-N 3.32Å; S174-K177 PolarHBondContact O-N 3.04Å; S174-N178 VanDerWaalsContact O-CG 3.25Å; S174-N178 PolarHBondContact O-N 3.01Å; S174-N178 PolarHBondContact O-OD1 2.94Å; S174-N178 VanDerWaalsContact O-OD1 3.11Å
175	D	95.7	Very high	96.4	Very high	27 Å²	27	35.8 Å²	35.8	14%	0.144	20%	0.197	C	C	.	.	H	α-helix	trans	-56.2	-48.8	177.4	-77.2	-1.9	0	0	0	111.4	D171 N178 V179 R281 K293	D171-D175 WeakPolarHBondContact O-CB 3.42Å; D171-D175 PolarHBondContact O-N 3.49Å; D175-N178 PolarHBondContact O-N 3.13Å; D175-V179 WeakPolarHBondContact O-CG2 3.3Å; D175-V179 PolarHBondContact O-N 2.89Å; D175-R281 IonicContact OD1-CZ 3.55Å; D175-R281 IonicContact OD1-NH1 3.26Å; D175-R281 PolarHBondContact OD1-NH1 3.12Å; D175-R281 IonicContact OD1-NH2 2.85Å; D175-R281 PolarHBondContact OD1-NH2 3.25Å; D175-K293 IonicContact OD2-NZ 3.98Å; D175-K293 PolarHBondContact OD2-NZ 3.27Å
176	M	97.2	Very high	96	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-74	-31.6	-177	-62.5	-61.9	91.4	0	0	113.3	F172 V173 S174 N178 V179 L180 L202 V206 K293 P294	F172-M176 HydrophobicContact CD2-CG 4.14Å; F172-M176 HydrophobicContact CE1-CG 4.25Å; F172-M176 HydrophobicContact CE2-CG 3.71Å; F172-M176 HydrophobicContact CE2-SD 4.19Å; F172-M176 HydrophobicContact CZ-CG 3.77Å; F172-M176 VanDerWaalsContact O-CG 3.27Å; F172-M176 WeakPolarHBondContact O-CG 3.49Å; F172-M176 PolarHBondContact O-N 2.94Å; F172-M176 VanDerWaalsContact O-N 3.08Å; V173-M176 PolarHBondContact O-N 2.7Å; S174-M176 VanDerWaalsContact C-N 3.35Å; S174-M176 PolarHBondContact O-N 3.32Å; M176-N178 VanDerWaalsContact C-N 3.34Å; M176-V179 HydrophobicContact CE-CG2 4.15Å; M176-V179 PolarHBondContact O-N 3.22Å; M176-L180 PolarHBondContact O-N 3.43Å; M176-L202 HydrophobicContact CB-CD1 4.3Å; M176-L202 HydrophobicContact CG-CD1 4.29Å; M176-L202 HydrophobicContact SD-CD1 3.88Å; M176-V206 HydrophobicContact CB-CG2 3.39Å; M176-V206 HydrophobicContact CG-CG2 4.45Å; M176-K293 HydrophobicContact CE-CB 4.05Å; M176-K293 HydrophobicContact CE-CD 3.82Å; M176-K293 HydrophobicContact CE-CG 4.48Å; M176-P294 HydrophobicContact SD-CG 3.8Å
177	K	97	Very high	95.2	Very high	72 Å²	72	42 Å²	42	31%	0.313	24%	0.24	S	C	.	.	H	α-helix	trans	-61.8	-43.1	170.8	-81.6	-179.4	171.9	175.1	0	111.1	V173 S174 V179 L180 I181 V206 D210	V173-K177 HydrophobicContact CG1-CD 3.9Å; V173-K177 HydrophobicContact CG1-CG 4.27Å; V173-K177 WeakPolarHBondContact O-CB 3.46Å; V173-K177 WeakPolarHBondContact O-CG 3.46Å; V173-K177 PolarHBondContact O-N 3.38Å; S174-K177 PolarHBondContact O-N 3.04Å; K177-V179 VanDerWaalsContact C-N 3.31Å; K177-V179 PolarHBondContact O-N 2.65Å; K177-L180 PolarHBondContact O-N 2.88Å; K177-L180 VanDerWaalsContact O-N 3.15Å; K177-I181 VanDerWaalsContact O-CG1 3.31Å; K177-I181 WeakPolarHBondContact O-CG1 3.26Å; K177-I181 PolarHBondContact O-N 2.97Å; K177-V206 HydrophobicContact CD-CG1 4.5Å; K177-V206 HydrophobicContact CG-CG1 3.56Å; K177-D210 WeakPolarHBondContact CE-OD2 3.49Å; K177-D210 IonicContact NZ-OD1 3.65Å; K177-D210 PolarHBondContact NZ-OD1 3.17Å; K177-D210 IonicContact NZ-OD2 3.02Å; K177-D210 PolarHBondContact NZ-OD2 3.06Å
178	N	95.5	Very high	94.1	Very high	37 Å²	37	39.5 Å²	39.5	20%	0.198	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-38.7	177.5	-65.2	6.5	0	0	0	111.5	S174 D175 M176 I181 A182 L277	S174-N178 VanDerWaalsContact O-CG 3.25Å; S174-N178 PolarHBondContact O-N 3.01Å; S174-N178 PolarHBondContact O-OD1 2.94Å; S174-N178 VanDerWaalsContact O-OD1 3.11Å; D175-N178 PolarHBondContact O-N 3.13Å; M176-N178 VanDerWaalsContact C-N 3.34Å; N178-I181 PolarHBondContact O-N 2.83Å; N178-A182 VanDerWaalsContact O-CB 3.28Å; N178-A182 WeakPolarHBondContact O-CB 3.46Å; N178-A182 PolarHBondContact O-N 3.34Å; N178-L277 HydrophobicContact CB-CD1 4.27Å
179	V	96.1	Very high	93.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.6	-48.7	171.9	174.9	0	0	0	0	110.6	D175 M176 K177 A182 F183 L199 L202 L277 E290 L291	D175-V179 WeakPolarHBondContact O-CG2 3.3Å; D175-V179 PolarHBondContact O-N 2.89Å; M176-V179 HydrophobicContact CE-CG2 4.15Å; M176-V179 PolarHBondContact O-N 3.22Å; K177-V179 VanDerWaalsContact C-N 3.31Å; K177-V179 PolarHBondContact O-N 2.65Å; V179-A182 PolarHBondContact O-N 3.25Å; V179-F183 HydrophobicContact CG1-CD2 4.17Å; V179-F183 HydrophobicContact CG1-CE2 4.38Å; V179-F183 VanDerWaalsContact O-CD2 3.22Å; V179-F183 WeakPolarHBondContact O-CD2 3.34Å; V179-F183 PolarHBondContact O-N 2.85Å; V179-L199 HydrophobicContact CG1-CD2 4.43Å; V179-L202 HydrophobicContact CB-CD2 4.42Å; V179-L202 HydrophobicContact CG1-CD2 3.87Å; V179-L277 HydrophobicContact CG2-CD1 4.44Å; V179-L277 HydrophobicContact CG2-CD2 3.98Å; V179-E290 HydrophobicContact CG2-CB 4.08Å; V179-L291 HydrophobicContact CG1-CD2 4.05Å
180	L	96.3	Very high	92.5	Very high	19 Å²	19	46.1 Å²	46.1	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-49.1	179.1	-70.5	175.7	0	0	0	112.1	M176 K177 A182 F183 D184 L202 V206	M176-L180 PolarHBondContact O-N 3.43Å; K177-L180 PolarHBondContact O-N 2.88Å; K177-L180 VanDerWaalsContact O-N 3.15Å; L180-A182 VanDerWaalsContact C-N 3.33Å; L180-A182 PolarHBondContact O-N 2.68Å; L180-F183 PolarHBondContact O-N 3.3Å; L180-F183 VanDerWaalsContact O-N 3.14Å; L180-D184 WeakPolarHBondContact O-CB 3.48Å; L180-D184 PolarHBondContact O-N 3.37Å; L180-L202 HydrophobicContact CD2-CB 4.14Å; L180-L202 HydrophobicContact CD2-CD2 3.89Å; L180-L202 HydrophobicContact CD2-CG 3.97Å; L180-L202 HydrophobicContact CG-CD2 4.17Å; L180-L202 HydrophobicContact CG-CG 4.22Å; L180-V206 HydrophobicContact CD1-CB 3.85Å; L180-V206 HydrophobicContact CD1-CG1 4.11Å; L180-V206 HydrophobicContact CD1-CG2 3.7Å
181	I	95.3	Very high	92	Very high	85 Å²	85	48 Å²	48	44%	0.436	29%	0.286	S	S	.	.	H	α-helix	trans	-57.7	-45.3	179.9	-68.4	165.1	0	0	0	111.4	K177 N178 F183 D184 S185	K177-I181 VanDerWaalsContact O-CG1 3.31Å; K177-I181 WeakPolarHBondContact O-CG1 3.26Å; K177-I181 PolarHBondContact O-N 2.97Å; N178-I181 PolarHBondContact O-N 2.83Å; I181-F183 VanDerWaalsContact C-N 3.29Å; I181-F183 PolarHBondContact O-N 2.97Å; I181-D184 PolarHBondContact O-N 2.99Å; I181-S185 WeakPolarHBondContact O-CB 3.15Å; I181-S185 PolarHBondContact O-N 3.46Å; I181-S185 PolarHBondContact O-OG 3.04Å
182	A	94.7	Very high	91.5	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.017	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-37.8	179.6	0	0	0	0	0	112.6	N178 V179 L180 N276 L277	N178-A182 VanDerWaalsContact O-CB 3.28Å; N178-A182 WeakPolarHBondContact O-CB 3.46Å; N178-A182 PolarHBondContact O-N 3.34Å; V179-A182 PolarHBondContact O-N 3.25Å; L180-A182 VanDerWaalsContact C-N 3.33Å; L180-A182 PolarHBondContact O-N 2.68Å; A182-N276 HydrophobicContact CB-CB 3.99Å; A182-N276 WeakPolarHBondContact O-CB 3.22Å; A182-N276 PolarHBondContact O-ND2 3.2Å; A182-L277 HydrophobicContact CB-CB 3.73Å; A182-L277 HydrophobicContact CB-CD1 4.15Å
183	F	94.8	Very high	91	Very high	2 Å²	2	54 Å²	54	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-82.3	-34.4	-179.7	-85.6	-97.4	0	0	0	113.3	V179 L180 I181 S185 V186 L198 L199 F269 L287	V179-F183 HydrophobicContact CG1-CD2 4.17Å; V179-F183 HydrophobicContact CG1-CE2 4.38Å; V179-F183 VanDerWaalsContact O-CD2 3.22Å; V179-F183 WeakPolarHBondContact O-CD2 3.34Å; V179-F183 PolarHBondContact O-N 2.85Å; L180-F183 PolarHBondContact O-N 3.3Å; L180-F183 VanDerWaalsContact O-N 3.14Å; I181-F183 VanDerWaalsContact C-N 3.29Å; I181-F183 PolarHBondContact O-N 2.97Å; F183-S185 PolarHBondContact O-N 3.07Å; F183-V186 WeakPolarHBondContact O-CB 3.45Å; F183-V186 WeakPolarHBondContact O-CG2 3.33Å; F183-V186 PolarHBondContact O-N 3.49Å; F183-L198 HydrophobicContact CD1-CD2 4.45Å; F183-L198 HydrophobicContact CE1-CD2 3.69Å; F183-L198 HydrophobicContact CZ-CD2 4.41Å; F183-L199 HydrophobicContact CB-CD1 4.06Å; F183-L199 HydrophobicContact CD1-CD1 4.26Å; F183-L199 HydrophobicContact CD1-CD2 4.43Å; F183-L199 HydrophobicContact CG-CD1 4.2Å; F183-L199 HydrophobicContact CG-CD2 4.47Å; F183-F269 HydrophobicContact CB-CZ 4.14Å; F183-F269 HydrophobicContact CD1-CD1 4.07Å; F183-F269 AromaticContact CD1-CE1 3.5Å; F183-F269 HydrophobicContact CD1-CE1 3.5Å; F183-F269 VanDerWaalsContact CD1-CE1 3.5Å; F183-F269 HydrophobicContact CD1-CE2 4.24Å; F183-F269 AromaticContact CD1-CZ 3.6Å; F183-F269 HydrophobicContact CD1-CZ 3.6Å; F183-F269 HydrophobicContact CE1-CD1 4.25Å; F183-F269 HydrophobicContact CE1-CE1 4.08Å; F183-F269 HydrophobicContact CG-CZ 4.38Å; F183-L287 HydrophobicContact CE1-CD2 4.46Å; F183-L287 HydrophobicContact CE2-CD1 3.6Å; F183-L287 HydrophobicContact CE2-CD2 4.48Å; F183-L287 HydrophobicContact CZ-CD1 3.62Å; F183-L287 HydrophobicContact CZ-CD2 3.64Å; F183-L287 HydrophobicContact CZ-CG 4.29Å
184	D	92.8	Very high	90.6	Very high	101 Å²	101	54.8 Å²	54.8	54%	0.54	33%	0.326	S	S	.	.	H	α-helix	trans	-71	-21.6	174.9	-65.1	-20.5	0	0	0	111.2	L180 I181 V186 R195	L180-D184 WeakPolarHBondContact O-CB 3.48Å; L180-D184 PolarHBondContact O-N 3.37Å; I181-D184 PolarHBondContact O-N 2.99Å; D184-V186 VanDerWaalsContact C-N 3.28Å; D184-V186 PolarHBondContact O-N 2.9Å; D184-R195 IonicContact OD1-NE 3.1Å; D184-R195 IonicContact OD1-NH2 3.05Å
185	S	91.7	Very high	90.4	Very high	80 Å²	80	53.5 Å²	53.5	56%	0.559	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	0.8	173.8	-57.4	0	0	0	0	114.3	I181 F183 S187	I181-S185 WeakPolarHBondContact O-CB 3.15Å; I181-S185 PolarHBondContact O-N 3.46Å; I181-S185 PolarHBondContact O-OG 3.04Å; F183-S185 PolarHBondContact O-N 3.07Å; S185-S187 PolarHBondContact O-N 2.98Å
186	V	90.7	Very high	90.2	Very high	17 Å²	17	56.7 Å²	56.7	10%	0.103	32%	0.324	C	S	.	.			trans	-74.5	119.8	178.1	176.4	0	0	0	0	109.4	F183 D184 S188 F269 L272	F183-V186 WeakPolarHBondContact O-CB 3.45Å; F183-V186 WeakPolarHBondContact O-CG2 3.33Å; F183-V186 PolarHBondContact O-N 3.49Å; D184-V186 VanDerWaalsContact C-N 3.28Å; D184-V186 PolarHBondContact O-N 2.9Å; V186-S188 PolarHBondContact O-N 3.49Å; V186-S188 VanDerWaalsContact O-N 3.15Å; V186-F269 HydrophobicContact CB-CD2 4.14Å; V186-F269 HydrophobicContact CB-CE2 3.96Å; V186-F269 HydrophobicContact CG1-CD2 3.87Å; V186-F269 HydrophobicContact CG1-CE2 4.21Å; V186-F269 HydrophobicContact CG2-CD2 4.41Å; V186-F269 HydrophobicContact CG2-CE2 4.22Å; V186-L272 HydrophobicContact CG1-CB 3.8Å; V186-L272 HydrophobicContact CG1-CD1 3.89Å; V186-L272 HydrophobicContact CG2-CB 4.11Å
187	S	79.9	Confident	89.9	Confident	120 Å²	120	58 Å²	58	84%	0.839	33%	0.333	S	S	*	.			trans	-67.5	-12.1	-177.5	55.2	0	0	0	0	115.1	S185	S185-S187 PolarHBondContact O-N 2.98Å
188	S	74.7	Confident	89.7	Confident	56 Å²	56	55.2 Å²	55.2	39%	0.392	32%	0.321	S	S	.	.	S	Bend	trans	-82.7	128.9	179.4	-57.5	0	0	0	0	110.6	V186 V190 L272	V186-S188 PolarHBondContact O-N 3.49Å; V186-S188 VanDerWaalsContact O-N 3.15Å; S188-V190 PolarHBondContact O-N 3.19Å; S188-V190 VanDerWaalsContact O-N 3.08Å; S188-L272 WeakPolarHBondContact OG-CD1 3.31Å
189	T	76	Confident	89.7	Confident	139 Å²	139	53.5 Å²	53.5	85%	0.853	31%	0.312	S	S	*	.			trans	-69.3	105.2	171.6	53.7	0	0	0	0	109.4
190	V	85.4	Confident	89.6	Confident	31 Å²	31	53.8 Å²	53.8	19%	0.188	32%	0.315	C	S	.	.			trans	-96.1	141.2	167.9	64.5	0	0	0	0	108.6	S188 N194 R195 E265 F269	S188-V190 PolarHBondContact O-N 3.19Å; S188-V190 VanDerWaalsContact O-N 3.08Å; V190-N194 HydrophobicContact CG2-CB 3.53Å; V190-R195 HydrophobicContact CG1-CB 4.07Å; V190-E265 WeakPolarHBondContact CA-OE1 3.46Å; V190-E265 HydrophobicContact CG2-CG 4.45Å; V190-F269 HydrophobicContact CB-CB 4.45Å; V190-F269 HydrophobicContact CB-CD2 3.92Å; V190-F269 HydrophobicContact CB-CE2 4.3Å; V190-F269 HydrophobicContact CB-CG 4.08Å; V190-F269 HydrophobicContact CG1-CD1 4.29Å; V190-F269 HydrophobicContact CG1-CD2 3.64Å; V190-F269 HydrophobicContact CG1-CE1 4.14Å; V190-F269 HydrophobicContact CG1-CE2 3.49Å; V190-F269 VanDerWaalsContact CG1-CE2 3.49Å; V190-F269 HydrophobicContact CG1-CG 4.05Å; V190-F269 HydrophobicContact CG1-CZ 3.75Å; V190-F269 HydrophobicContact CG2-CB 4.3Å; V190-F269 HydrophobicContact CG2-CD1 4.28Å; V190-F269 HydrophobicContact CG2-CD2 4.45Å; V190-F269 HydrophobicContact CG2-CG 4.11Å
191	T	87.9	Confident	89.6	Confident	71 Å²	71	53.2 Å²	53.2	44%	0.436	31%	0.312	S	S	.	.			trans	-65.4	147	173.2	62.8	0	0	0	0	111	S193 N194 R195 E265	T191-S193 PolarHBondContact O-N 3.24Å; T191-N194 PolarHBondContact O-N 2.93Å; T191-N194 WeakPolarHBondContact OG1-CB 3.5Å; T191-N194 VanDerWaalsContact OG1-CG 3.25Å; T191-N194 PolarHBondContact OG1-N 3.49Å; T191-N194 PolarHBondContact OG1-ND2 3.09Å; T191-N194 VanDerWaalsContact OG1-ND2 3.1Å; T191-R195 PolarHBondContact O-N 2.93Å; T191-E265 PolarHBondContact N-OE1 3.02Å
192	E	87.2	Confident	89.7	Confident	119 Å²	119	49.1 Å²	49.1	56%	0.556	29%	0.291	S	S	*	.	H	α-helix	trans	-58.7	-34.4	179.8	-170.1	55.6	-141.3	0	0	111.9	N194 R195 Y196	E192-N194 PolarHBondContact O-N 2.96Å; E192-R195 PolarHBondContact O-N 2.91Å; E192-R195 IonicContact OE1-CZ 2.68Å; E192-R195 IonicContact OE1-NH1 2.66Å; E192-R195 PolarHBondContact OE1-NH1 2.8Å; E192-Y196 VanDerWaalsContact O-CB 3.24Å; E192-Y196 WeakPolarHBondContact O-CB 3.16Å; E192-Y196 PolarHBondContact O-N 3.47Å
193	S	87.4	Confident	89.8	Confident	94 Å²	94	51.3 Å²	51.3	66%	0.657	30%	0.303	S	S	*	.	H	α-helix	trans	-60.7	-43.5	173.5	-58.4	0	0	0	0	112.7	T191 S197	T191-S193 PolarHBondContact O-N 3.24Å; S193-S197 WeakPolarHBondContact O-CB 3.28Å; S193-S197 PolarHBondContact O-N 3.31Å
194	N	89.5	Confident	89.9	Confident	23 Å²	23	54.6 Å²	54.6	12%	0.123	32%	0.318	C	S	.	.	H	α-helix	trans	-70.5	-41.2	177.5	-77.7	-23	0	0	0	111.3	V190 T191 E192 S197 L198 N263 E265 I266	V190-N194 HydrophobicContact CG2-CB 3.53Å; T191-N194 PolarHBondContact O-N 2.93Å; T191-N194 WeakPolarHBondContact OG1-CB 3.5Å; T191-N194 VanDerWaalsContact OG1-CG 3.25Å; T191-N194 PolarHBondContact OG1-N 3.49Å; T191-N194 PolarHBondContact OG1-ND2 3.09Å; T191-N194 VanDerWaalsContact OG1-ND2 3.1Å; E192-N194 PolarHBondContact O-N 2.96Å; N194-S197 WeakPolarHBondContact O-CB 3.14Å; N194-S197 PolarHBondContact O-N 3.15Å; N194-S197 VanDerWaalsContact O-N 3.16Å; N194-S197 PolarHBondContact O-OG 3.39Å; N194-L198 PolarHBondContact O-N 2.9Å; N194-N263 PolarHBondContact OD1-ND2 3.43Å; N194-E265 PolarHBondContact ND2-OE1 3.29Å; N194-E265 PolarHBondContact ND2-OE2 2.82Å; N194-I266 HydrophobicContact CB-CD1 4.44Å; N194-I266 HydrophobicContact CB-CG1 3.75Å
195	R	92	Very high	90.2	Very high	28 Å²	28	49.9 Å²	49.9	11%	0.106	29%	0.292	C	S	.	.	H	α-helix	trans	-57.2	-50.5	172.8	-177.3	-177.5	170.1	-76.2	-4.6	111	D184 V190 T191 E192 S197 L198 L199 F269	D184-R195 IonicContact OD1-NE 3.1Å; D184-R195 IonicContact OD1-NH2 3.05Å; V190-R195 HydrophobicContact CG1-CB 4.07Å; T191-R195 PolarHBondContact O-N 2.93Å; E192-R195 PolarHBondContact O-N 2.91Å; E192-R195 IonicContact OE1-CZ 2.68Å; E192-R195 IonicContact OE1-NH1 2.66Å; E192-R195 PolarHBondContact OE1-NH1 2.8Å; R195-S197 PolarHBondContact O-N 3.3Å; R195-L198 PolarHBondContact O-N 3.12Å; R195-L198 VanDerWaalsContact O-N 3.13Å; R195-L199 HydrophobicContact CG-CD1 4.17Å; R195-L199 PolarHBondContact O-N 3.23Å; R195-F269 HydrophobicContact CB-CE1 4.45Å; R195-F269 HydrophobicContact CG-CE1 4.15Å; R195-F269 HydrophobicContact CG-CZ 4.21Å
196	Y	92.4	Very high	90.5	Very high	95 Å²	95	46.4 Å²	46.4	37%	0.373	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-32.5	176.9	-172.7	-90	0	0	0	112.4	E192 L198 G200 N201 N254	E192-Y196 VanDerWaalsContact O-CB 3.24Å; E192-Y196 WeakPolarHBondContact O-CB 3.16Å; E192-Y196 PolarHBondContact O-N 3.47Å; Y196-L198 PolarHBondContact O-N 2.99Å; Y196-G200 VanDerWaalsContact CD2-O 3.24Å; Y196-G200 WeakPolarHBondContact CD2-O 3.41Å; Y196-G200 VanDerWaalsContact CE2-C 3.48Å; Y196-G200 WeakPolarHBondContact O-CA 3.42Å; Y196-G200 PolarHBondContact O-N 2.93Å; Y196-N201 HydrophobicContact CE2-CB 4.15Å; Y196-N254 PolarHBondContact OH-ND2 2.94Å
197	S	90.5	Very high	90.8	Very high	28 Å²	28	52.1 Å²	52.1	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-22.5	178.1	82.9	0	0	0	0	114.3	S193 N194 R195 A259 I266	S193-S197 WeakPolarHBondContact O-CB 3.28Å; S193-S197 PolarHBondContact O-N 3.31Å; N194-S197 WeakPolarHBondContact O-CB 3.14Å; N194-S197 PolarHBondContact O-N 3.15Å; N194-S197 VanDerWaalsContact O-N 3.16Å; N194-S197 PolarHBondContact O-OG 3.39Å; R195-S197 PolarHBondContact O-N 3.3Å; S197-A259 WeakPolarHBondContact O-CB 3.36Å; S197-I266 WeakPolarHBondContact OG-CD1 3.46Å
198	L	93.2	Very high	91.7	Very high	13 Å²	13	47 Å²	47	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-98.2	-51.9	177.5	-179.9	64.5	0	0	0	111.9	F183 N194 R195 Y196 A259 I266 F269 L287 L291	F183-L198 HydrophobicContact CD1-CD2 4.45Å; F183-L198 HydrophobicContact CE1-CD2 3.69Å; F183-L198 HydrophobicContact CZ-CD2 4.41Å; N194-L198 PolarHBondContact O-N 2.9Å; R195-L198 PolarHBondContact O-N 3.12Å; R195-L198 VanDerWaalsContact O-N 3.13Å; Y196-L198 PolarHBondContact O-N 2.99Å; L198-A259 HydrophobicContact CD1-CB 4.01Å; L198-I266 HydrophobicContact CB-CG2 4.03Å; L198-I266 HydrophobicContact CD1-CG2 4.42Å; L198-I266 HydrophobicContact CD2-CG2 4.37Å; L198-F269 HydrophobicContact CD2-CD1 3.84Å; L198-F269 HydrophobicContact CD2-CE1 4.18Å; L198-L287 HydrophobicContact CD1-CD2 4.47Å; L198-L291 HydrophobicContact CD1-CD1 4.24Å
199	L	95	Very high	92.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-93.9	-12.5	-173.6	-60	-179.7	0	0	0	113.3	V179 F183 R195 L202 Y251 F269 L291	V179-L199 HydrophobicContact CG1-CD2 4.43Å; F183-L199 HydrophobicContact CB-CD1 4.06Å; F183-L199 HydrophobicContact CD1-CD1 4.26Å; F183-L199 HydrophobicContact CD1-CD2 4.43Å; F183-L199 HydrophobicContact CG-CD1 4.2Å; F183-L199 HydrophobicContact CG-CD2 4.47Å; R195-L199 HydrophobicContact CG-CD1 4.17Å; R195-L199 PolarHBondContact O-N 3.23Å; L199-L202 HydrophobicContact CB-CB 4.41Å; L199-L202 HydrophobicContact CD2-CD2 4.46Å; L199-L202 VanDerWaalsContact O-CB 3.26Å; L199-L202 WeakPolarHBondContact O-CB 3.35Å; L199-L202 PolarHBondContact O-N 2.99Å; L199-Y251 VanDerWaalsContact O-CE2 3.24Å; L199-Y251 WeakPolarHBondContact O-CE2 3.43Å; L199-F269 HydrophobicContact CD1-CE1 4.49Å; L199-L291 HydrophobicContact CD2-CD2 3.86Å
200	G	93.9	Very high	93.9	Very high	6 Å²	6	40 Å²	40	6%	0.062	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-142.8	-174	0	0	0	0	0	112	Y196 L202	Y196-G200 VanDerWaalsContact CD2-O 3.24Å; Y196-G200 WeakPolarHBondContact CD2-O 3.41Å; Y196-G200 VanDerWaalsContact CE2-C 3.48Å; Y196-G200 WeakPolarHBondContact O-CA 3.42Å; Y196-G200 PolarHBondContact O-N 2.93Å; G200-L202 VanDerWaalsContact C-N 3.26Å; G200-L202 PolarHBondContact O-N 3.32Å
201	N	96.2	Very high	94.5	Very high	6 Å²	6	42 Å²	42	3%	0.032	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	37.5	174.4	68.8	-49	0	0	0	112.3	Y196 D203 Q204 L205 A247 T250 Y251	Y196-N201 HydrophobicContact CE2-CB 4.15Å; N201-D203 PolarHBondContact O-N 3.16Å; N201-Q204 HydrophobicContact CB-CB 4.33Å; N201-Q204 PolarHBondContact ND2-OE1 3.06Å; N201-Q204 PolarHBondContact O-N 3.45Å; N201-Q204 VanDerWaalsContact O-N 3.13Å; N201-L205 PolarHBondContact O-N 3.36Å; N201-A247 PolarHBondContact ND2-O 3.44Å; N201-T250 HydrophobicContact CB-CG2 4.16Å; N201-Y251 WeakPolarHBondContact OD1-CA 3.31Å; N201-Y251 VanDerWaalsContact OD1-CB 3.3Å; N201-Y251 WeakPolarHBondContact OD1-CB 3.33Å; N201-Y251 PolarHBondContact OD1-N 3.4Å
202	L	97.5	Very high	95	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.7	-36.9	-177.2	-172.3	58.1	0	0	0	112.3	M176 V179 L180 L199 G200 Q204 L205 V206 Y251 P294	M176-L202 HydrophobicContact CB-CD1 4.3Å; M176-L202 HydrophobicContact CG-CD1 4.29Å; M176-L202 HydrophobicContact SD-CD1 3.88Å; V179-L202 HydrophobicContact CB-CD2 4.42Å; V179-L202 HydrophobicContact CG1-CD2 3.87Å; L180-L202 HydrophobicContact CD2-CB 4.14Å; L180-L202 HydrophobicContact CD2-CD2 3.89Å; L180-L202 HydrophobicContact CD2-CG 3.97Å; L180-L202 HydrophobicContact CG-CD2 4.17Å; L180-L202 HydrophobicContact CG-CG 4.22Å; L199-L202 HydrophobicContact CB-CB 4.41Å; L199-L202 HydrophobicContact CD2-CD2 4.46Å; L199-L202 VanDerWaalsContact O-CB 3.26Å; L199-L202 WeakPolarHBondContact O-CB 3.35Å; L199-L202 PolarHBondContact O-N 2.99Å; G200-L202 VanDerWaalsContact C-N 3.26Å; G200-L202 PolarHBondContact O-N 3.32Å; L202-Q204 VanDerWaalsContact C-N 3.33Å; L202-Q204 PolarHBondContact O-N 3.19Å; L202-L205 HydrophobicContact CD1-CD2 4.46Å; L202-L205 PolarHBondContact O-N 3.08Å; L202-V206 HydrophobicContact CD1-CG2 4.18Å; L202-V206 HydrophobicContact CG-CG2 4.24Å; L202-V206 WeakPolarHBondContact O-CB 3.29Å; L202-V206 VanDerWaalsContact O-CG2 3.3Å; L202-V206 WeakPolarHBondContact O-CG2 3.35Å; L202-V206 PolarHBondContact O-N 3.4Å; L202-Y251 HydrophobicContact CB-CD2 4.36Å; L202-Y251 HydrophobicContact CB-CE2 3.94Å; L202-Y251 HydrophobicContact CD1-CD2 4.32Å; L202-Y251 HydrophobicContact CD1-CE2 3.78Å; L202-Y251 HydrophobicContact CG-CE2 4.36Å; L202-P294 HydrophobicContact CD1-CG 4.38Å
203	D	96.5	Very high	95.5	Very high	48 Å²	48	33.7 Å²	33.7	26%	0.257	17%	0.172	S	C	.	.	H	α-helix	trans	-56.6	-47	176.1	66.6	-67.9	0	0	0	111.4	N201 V206 R207	N201-D203 PolarHBondContact O-N 3.16Å; D203-V206 PolarHBondContact O-N 3.22Å; D203-R207 WeakPolarHBondContact O-CG 3.5Å; D203-R207 PolarHBondContact O-N 3.36Å; D203-R207 IonicContact OD2-CZ 3.76Å; D203-R207 IonicContact OD2-NH1 3.74Å; D203-R207 PolarHBondContact OD2-NH1 2.94Å; D203-R207 IonicContact OD2-NH2 2.68Å; D203-R207 PolarHBondContact OD2-NH2 3.48Å
204	Q	97.7	Very high	96	Very high	71 Å²	71	34 Å²	34	33%	0.332	17%	0.165	S	C	.	.	H	α-helix	trans	-67.6	-42.4	178.7	-173.7	-169.3	12.5	0	0	110.9	N201 L202 V206 R207 V208	N201-Q204 HydrophobicContact CB-CB 4.33Å; N201-Q204 PolarHBondContact ND2-OE1 3.06Å; N201-Q204 PolarHBondContact O-N 3.45Å; N201-Q204 VanDerWaalsContact O-N 3.13Å; L202-Q204 VanDerWaalsContact C-N 3.33Å; L202-Q204 PolarHBondContact O-N 3.19Å; Q204-V206 VanDerWaalsContact C-N 3.34Å; Q204-V206 PolarHBondContact O-N 3.27Å; Q204-R207 PolarHBondContact O-N 3.15Å; Q204-V208 WeakPolarHBondContact O-CG2 3.42Å; Q204-V208 PolarHBondContact O-N 2.86Å
205	L	98.3	Very high	96.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-41.9	178.4	178.2	60.4	0	0	0	111.8	F172 N201 L202 S209 A247 L248 Y251 P294	F172-L205 HydrophobicContact CZ-CD2 4.13Å; F172-L205 HydrophobicContact CZ-CG 4.43Å; N201-L205 PolarHBondContact O-N 3.36Å; L202-L205 HydrophobicContact CD1-CD2 4.46Å; L202-L205 PolarHBondContact O-N 3.08Å; L205-S209 WeakPolarHBondContact O-CB 3.43Å; L205-S209 PolarHBondContact O-N 3.3Å; L205-S209 PolarHBondContact O-OG 2.83Å; L205-A247 HydrophobicContact CB-CB 4.29Å; L205-A247 HydrophobicContact CD1-CB 3.94Å; L205-L248 HydrophobicContact CD1-CD2 3.71Å; L205-L248 HydrophobicContact CD1-CG 3.86Å; L205-L248 HydrophobicContact CD2-CD2 4.22Å; L205-Y251 HydrophobicContact CD2-CD2 4.28Å; L205-Y251 HydrophobicContact CD2-CG 4.14Å; L205-P294 HydrophobicContact CD2-CB 3.67Å; L205-P294 HydrophobicContact CD2-CG 3.91Å
206	V	98.2	Very high	96.6	Very high	8 Å²	8	32.9 Å²	32.9	5%	0.048	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-47.3	175.7	170.6	0	0	0	0	110.7	M176 K177 L180 L202 D203 Q204 V208 S209 D210	M176-V206 HydrophobicContact CB-CG2 3.39Å; M176-V206 HydrophobicContact CG-CG2 4.45Å; K177-V206 HydrophobicContact CD-CG1 4.5Å; K177-V206 HydrophobicContact CG-CG1 3.56Å; L180-V206 HydrophobicContact CD1-CB 3.85Å; L180-V206 HydrophobicContact CD1-CG1 4.11Å; L180-V206 HydrophobicContact CD1-CG2 3.7Å; L202-V206 HydrophobicContact CD1-CG2 4.18Å; L202-V206 HydrophobicContact CG-CG2 4.24Å; L202-V206 WeakPolarHBondContact O-CB 3.29Å; L202-V206 VanDerWaalsContact O-CG2 3.3Å; L202-V206 WeakPolarHBondContact O-CG2 3.35Å; L202-V206 PolarHBondContact O-N 3.4Å; D203-V206 PolarHBondContact O-N 3.22Å; Q204-V206 VanDerWaalsContact C-N 3.34Å; Q204-V206 PolarHBondContact O-N 3.27Å; V206-V208 PolarHBondContact O-N 3.01Å; V206-S209 PolarHBondContact O-N 3.19Å; V206-D210 VanDerWaalsContact O-CB 3.29Å; V206-D210 WeakPolarHBondContact O-CB 3.34Å; V206-D210 PolarHBondContact O-N 3.35Å
207	R	98.2	Very high	96.9	Very high	136 Å²	136	32.5 Å²	32.5	51%	0.513	17%	0.166	S	C	.	.	H	α-helix	trans	-54.6	-53.7	177	-74.9	-165	-57.2	-84.4	0.6	112	D203 Q204 S209 D210 D211	D203-R207 WeakPolarHBondContact O-CG 3.5Å; D203-R207 PolarHBondContact O-N 3.36Å; D203-R207 IonicContact OD2-CZ 3.76Å; D203-R207 IonicContact OD2-NH1 3.74Å; D203-R207 PolarHBondContact OD2-NH1 2.94Å; D203-R207 IonicContact OD2-NH2 2.68Å; D203-R207 PolarHBondContact OD2-NH2 3.48Å; Q204-R207 PolarHBondContact O-N 3.15Å; R207-S209 VanDerWaalsContact C-N 3.3Å; R207-S209 PolarHBondContact O-N 2.9Å; R207-D210 PolarHBondContact O-N 3.23Å; R207-D211 PolarHBondContact O-N 3.43Å
208	V	98.2	Very high	97.2	Very high	14 Å²	14	38.4 Å²	38.4	9%	0.085	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-39	179.7	175.9	0	0	0	0	111.6	Q204 V206 D210 D211 I212 M244	Q204-V208 WeakPolarHBondContact O-CG2 3.42Å; Q204-V208 PolarHBondContact O-N 2.86Å; V206-V208 PolarHBondContact O-N 3.01Å; V208-D210 VanDerWaalsContact C-N 3.33Å; V208-D211 PolarHBondContact O-N 3.37Å; V208-I212 HydrophobicContact CG1-CD1 4.05Å; V208-I212 WeakPolarHBondContact O-CD1 3.47Å; V208-I212 VanDerWaalsContact O-CG1 3.27Å; V208-I212 WeakPolarHBondContact O-CG1 3.11Å; V208-I212 PolarHBondContact O-N 3.08Å; V208-M244 HydrophobicContact CG1-CB 4.1Å
209	S	97.9	Very high	97.3	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-68.9	-33.3	179.3	-62.4	0	0	0	0	112.6	Q169 V173 L205 V206 R207 S213	Q169-S209 PolarHBondContact NE2-O 3.2Å; V173-S209 VanDerWaalsContact CG2-C 3.43Å; V173-S209 WeakPolarHBondContact CG2-O 3.29Å; L205-S209 WeakPolarHBondContact O-CB 3.43Å; L205-S209 PolarHBondContact O-N 3.3Å; L205-S209 PolarHBondContact O-OG 2.83Å; V206-S209 PolarHBondContact O-N 3.19Å; R207-S209 VanDerWaalsContact C-N 3.3Å; R207-S209 PolarHBondContact O-N 2.9Å; S209-S213 WeakPolarHBondContact O-CB 3.43Å; S209-S213 PolarHBondContact O-N 3.44Å
210	D	98.1	Very high	97.4	Very high	40 Å²	40	40.4 Å²	40.4	21%	0.214	20%	0.197	C	C	.	.	H	α-helix	trans	-71	-42.7	175.7	-163.2	46.4	0	0	0	111.2	V173 K177 V206 R207 V208 I212 S213 M214	V173-D210 HydrophobicContact CG1-CB 4Å; V173-D210 WeakPolarHBondContact CG1-OD1 3.22Å; K177-D210 WeakPolarHBondContact CE-OD2 3.49Å; K177-D210 IonicContact NZ-OD1 3.65Å; K177-D210 PolarHBondContact NZ-OD1 3.17Å; K177-D210 IonicContact NZ-OD2 3.02Å; K177-D210 PolarHBondContact NZ-OD2 3.06Å; V206-D210 VanDerWaalsContact O-CB 3.29Å; V206-D210 WeakPolarHBondContact O-CB 3.34Å; V206-D210 PolarHBondContact O-N 3.35Å; R207-D210 PolarHBondContact O-N 3.23Å; V208-D210 VanDerWaalsContact C-N 3.33Å; D210-I212 VanDerWaalsContact C-N 3.3Å; D210-I212 PolarHBondContact O-N 3.08Å; D210-S213 CarbonylContact O-C 3.58Å; D210-S213 WeakPolarHBondContact O-CA 3.24Å; D210-S213 WeakPolarHBondContact O-CB 3.36Å; D210-S213 PolarHBondContact O-N 2.9Å; D210-M214 WeakPolarHBondContact O-CG 3.35Å; D210-M214 PolarHBondContact O-N 2.82Å
211	D	98.4	Very high	97.4	Very high	74 Å²	74	44.5 Å²	44.5	40%	0.396	23%	0.225	S	C	.	.	H	α-helix	trans	-58	-44.1	172.7	-67.9	-25.3	0	0	0	111.5	R207 V208 M214 A215 F240	R207-D211 PolarHBondContact O-N 3.43Å; V208-D211 PolarHBondContact O-N 3.37Å; D211-M214 PolarHBondContact O-N 3.15Å; D211-M214 WeakPolarHBondContact OD1-CE 3.4Å; D211-A215 WeakPolarHBondContact O-CB 3.32Å; D211-A215 PolarHBondContact O-N 3.27Å; D211-F240 HydrophobicContact CB-CD1 4.47Å; D211-F240 HydrophobicContact CB-CE1 3.81Å; D211-F240 HydrophobicContact CB-CZ 4.37Å
212	I	98.1	Very high	97.4	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-44.2	173.5	-68.7	165.6	0	0	0	110.6	Q169 V208 D210 A215 L216 I237 F240 M244	Q169-I212 HydrophobicContact CG-CG2 4.23Å; V208-I212 HydrophobicContact CG1-CD1 4.05Å; V208-I212 WeakPolarHBondContact O-CD1 3.47Å; V208-I212 VanDerWaalsContact O-CG1 3.27Å; V208-I212 WeakPolarHBondContact O-CG1 3.11Å; V208-I212 PolarHBondContact O-N 3.08Å; D210-I212 VanDerWaalsContact C-N 3.3Å; D210-I212 PolarHBondContact O-N 3.08Å; I212-A215 PolarHBondContact O-N 3.33Å; I212-L216 HydrophobicContact CG2-CD1 3.83Å; I212-L216 HydrophobicContact CG2-CG 4.22Å; I212-L216 WeakPolarHBondContact O-CB 3.22Å; I212-L216 VanDerWaalsContact O-CG 3.25Å; I212-L216 WeakPolarHBondContact O-CG 3.34Å; I212-L216 PolarHBondContact O-N 3.02Å; I212-I237 HydrophobicContact CG2-CG1 3.99Å; I212-F240 HydrophobicContact CD1-CB 3.87Å; I212-F240 HydrophobicContact CD1-CG 4.34Å; I212-F240 HydrophobicContact CG1-CB 3.68Å; I212-F240 HydrophobicContact CG1-CD1 4.12Å; I212-F240 HydrophobicContact CG1-CD2 3.8Å; I212-F240 HydrophobicContact CG1-CE2 4.46Å; I212-F240 HydrophobicContact CG1-CG 3.6Å; I212-M244 HydrophobicContact CD1-CB 4.09Å; I212-M244 HydrophobicContact CD1-CG 4.16Å; I212-M244 HydrophobicContact CD1-SD 3.7Å
213	S	97.8	Very high	97.3	Very high	13 Å²	13	53.6 Å²	53.6	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-47.4	179	-168.4	0	0	0	0	111.3	S209 D210 A215 L216 Q217	S209-S213 WeakPolarHBondContact O-CB 3.43Å; S209-S213 PolarHBondContact O-N 3.44Å; D210-S213 CarbonylContact O-C 3.58Å; D210-S213 WeakPolarHBondContact O-CA 3.24Å; D210-S213 WeakPolarHBondContact O-CB 3.36Å; D210-S213 PolarHBondContact O-N 2.9Å; S213-A215 PolarHBondContact O-N 2.75Å; S213-L216 PolarHBondContact O-N 3.4Å; S213-Q217 WeakPolarHBondContact O-CB 3.3Å; S213-Q217 VanDerWaalsContact O-CG 3.24Å; S213-Q217 WeakPolarHBondContact O-CG 3.41Å; S213-Q217 PolarHBondContact O-N 2.95Å
214	M	97.8	Very high	97.1	Very high	102 Å²	102	55.1 Å²	55.1	50%	0.502	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-43.4	176.4	-70.2	-172.6	-71.6	0	0	112.1	D210 D211 Q217 K218	D210-M214 WeakPolarHBondContact O-CG 3.35Å; D210-M214 PolarHBondContact O-N 2.82Å; D211-M214 PolarHBondContact O-N 3.15Å; D211-M214 WeakPolarHBondContact OD1-CE 3.4Å; M214-Q217 PolarHBondContact O-N 3.38Å; M214-K218 WeakPolarHBondContact O-CB 3.39Å; M214-K218 PolarHBondContact O-N 3.4Å
215	A	97.7	Very high	96.8	Very high	25 Å²	25	55.9 Å²	55.9	21%	0.207	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-40.9	177.7	0	0	0	0	0	111.9	D211 I212 S213 K218 E219 C236 F240	D211-A215 WeakPolarHBondContact O-CB 3.32Å; D211-A215 PolarHBondContact O-N 3.27Å; I212-A215 PolarHBondContact O-N 3.33Å; S213-A215 PolarHBondContact O-N 2.75Å; A215-K218 PolarHBondContact O-N 3.01Å; A215-E219 PolarHBondContact O-N 2.98Å; A215-C236 VanDerWaalsContact C-SG 3.53Å; A215-C236 VanDerWaalsContact CB-SG 3.5Å; A215-F240 HydrophobicContact CB-CE2 3.81Å; A215-F240 HydrophobicContact CB-CZ 4.09Å
216	L	97.8	Very high	96.4	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-46.1	174.8	-74.8	174.3	0	0	0	111.9	L165 V166 Q169 I212 S213 K218 E219 I220 I233 C236 I237	L165-L216 HydrophobicContact CD2-CD1 3.93Å; V166-L216 HydrophobicContact CG1-CB 4.41Å; V166-L216 HydrophobicContact CG2-CB 4.2Å; V166-L216 HydrophobicContact CG2-CD1 4.38Å; V166-L216 HydrophobicContact CG2-CD2 4.37Å; Q169-L216 HydrophobicContact CB-CD1 4.23Å; Q169-L216 HydrophobicContact CG-CD1 4.08Å; I212-L216 HydrophobicContact CG2-CD1 3.83Å; I212-L216 HydrophobicContact CG2-CG 4.22Å; I212-L216 WeakPolarHBondContact O-CB 3.22Å; I212-L216 VanDerWaalsContact O-CG 3.25Å; I212-L216 WeakPolarHBondContact O-CG 3.34Å; I212-L216 PolarHBondContact O-N 3.02Å; S213-L216 PolarHBondContact O-N 3.4Å; L216-K218 VanDerWaalsContact C-N 3.29Å; L216-K218 PolarHBondContact O-N 3.31Å; L216-E219 PolarHBondContact O-N 3.31Å; L216-I220 WeakPolarHBondContact O-CG1 3.25Å; L216-I220 PolarHBondContact O-N 2.89Å; L216-I233 HydrophobicContact CD2-CB 3.81Å; L216-I233 HydrophobicContact CD2-CG2 3.88Å; L216-C236 HydrophobicContact CD2-CB 4.36Å; L216-I237 HydrophobicContact CD1-CD1 4.14Å; L216-I237 HydrophobicContact CD1-CG1 4.32Å; L216-I237 HydrophobicContact CD2-CD1 4Å; L216-I237 HydrophobicContact CD2-CG1 3.98Å; L216-I237 HydrophobicContact CG-CG1 4.35Å
217	Q	97.1	Very high	96.1	Very high	88 Å²	88	65.1 Å²	65.1	41%	0.411	33%	0.327	S	S	.	.	H	α-helix	trans	-58.6	-41.7	176.2	-70.8	-64.9	-19.1	0	0	111.6	S213 M214 E219 I220 S221	S213-Q217 WeakPolarHBondContact O-CB 3.3Å; S213-Q217 VanDerWaalsContact O-CG 3.24Å; S213-Q217 WeakPolarHBondContact O-CG 3.41Å; S213-Q217 PolarHBondContact O-N 2.95Å; M214-Q217 PolarHBondContact O-N 3.38Å; Q217-E219 VanDerWaalsContact C-N 3.33Å; Q217-E219 PolarHBondContact O-N 2.92Å; Q217-I220 WeakPolarHBondContact O-CG1 3.24Å; Q217-S221 WeakPolarHBondContact O-CB 3.46Å; Q217-S221 PolarHBondContact O-N 3.43Å; Q217-S221 VanDerWaalsContact O-N 3.08Å; Q217-S221 PolarHBondContact O-OG 3.41Å
218	K	96.7	Very high	95.9	Very high	152 Å²	152	59.4 Å²	59.4	66%	0.661	31%	0.307	S	S	*	.	H	α-helix	trans	-65.3	-33.5	173.9	-177.3	-179.5	178.4	-179.4	0	113	M214 A215 L216 S221	M214-K218 WeakPolarHBondContact O-CB 3.39Å; M214-K218 PolarHBondContact O-N 3.4Å; A215-K218 PolarHBondContact O-N 3.01Å; L216-K218 VanDerWaalsContact C-N 3.29Å; L216-K218 PolarHBondContact O-N 3.31Å; K218-S221 PolarHBondContact O-OG 3.13Å
219	E	96.4	Very high	95.6	Very high	22 Å²	22	58.8 Å²	58.8	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-73.4	-45.7	176.9	-179.5	58.7	-162.1	0	0	111.3	A215 L216 Q217 S221 K222 Y223 A231 C232	A215-E219 PolarHBondContact O-N 2.98Å; L216-E219 PolarHBondContact O-N 3.31Å; Q217-E219 VanDerWaalsContact C-N 3.33Å; Q217-E219 PolarHBondContact O-N 2.92Å; E219-S221 VanDerWaalsContact C-N 3.31Å; E219-S221 PolarHBondContact O-N 3.26Å; E219-K222 WeakPolarHBondContact O-CB 3.14Å; E219-K222 PolarHBondContact O-N 3.44Å; E219-K222 WeakPolarHBondContact OE2-CE 3.35Å; E219-K222 IonicContact OE2-NZ 3.32Å; E219-K222 PolarHBondContact OE2-NZ 3.39Å; E219-Y223 VanDerWaalsContact O-CD2 3.32Å; E219-Y223 WeakPolarHBondContact O-CD2 3.33Å; E219-Y223 WeakPolarHBondContact O-CE2 3.44Å; E219-Y223 WeakPolarHBondContact OE1-CE2 3.36Å; E219-Y223 PolarHBondContact OE1-OH 3.2Å; E219-A231 HydrophobicContact CG-CB 4.42Å; E219-C232 PolarHBondContact OE1-N 3.43Å
220	I	96	Very high	95.4	Very high	33 Å²	33	61.7 Å²	61.7	17%	0.169	32%	0.318	C	S	.	.	H	α-helix	trans	-70.3	-25.7	-178.8	61.1	159.6	0	0	0	113.3	V162 V166 L216 Q217 K222 Y223 L228 I233	V162-I220 HydrophobicContact CG1-CG2 4.49Å; V166-I220 HydrophobicContact CG1-CD1 3.82Å; V166-I220 HydrophobicContact CG2-CG2 3.96Å; L216-I220 WeakPolarHBondContact O-CG1 3.25Å; L216-I220 PolarHBondContact O-N 2.89Å; Q217-I220 WeakPolarHBondContact O-CG1 3.24Å; I220-K222 PolarHBondContact O-N 3.25Å; I220-Y223 PolarHBondContact O-N 2.94Å; I220-Y223 VanDerWaalsContact O-N 3.12Å; I220-L228 HydrophobicContact CB-CD2 3.81Å; I220-L228 HydrophobicContact CG2-CD2 4.06Å; I220-I233 HydrophobicContact CG2-CG2 4.44Å
221	S	95.4	Very high	95.3	Very high	93 Å²	93	59.8 Å²	59.8	65%	0.65	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.6	177.7	66.9	0	0	0	0	113.9	Q217 K218 E219 Y223	Q217-S221 WeakPolarHBondContact O-CB 3.46Å; Q217-S221 PolarHBondContact O-N 3.43Å; Q217-S221 VanDerWaalsContact O-N 3.08Å; Q217-S221 PolarHBondContact O-OG 3.41Å; K218-S221 PolarHBondContact O-OG 3.13Å; E219-S221 VanDerWaalsContact C-N 3.31Å; E219-S221 PolarHBondContact O-N 3.26Å; S221-Y223 VanDerWaalsContact C-N 3.25Å; S221-Y223 PolarHBondContact O-N 3.49Å
222	K	95.5	Very high	95.2	Very high	132 Å²	132	57.4 Å²	57.4	57%	0.574	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-15.7	174.5	-59.7	173.3	-175.4	170.1	0	113.3	E219 I220	E219-K222 WeakPolarHBondContact O-CB 3.14Å; E219-K222 PolarHBondContact O-N 3.44Å; E219-K222 WeakPolarHBondContact OE2-CE 3.35Å; E219-K222 IonicContact OE2-NZ 3.32Å; E219-K222 PolarHBondContact OE2-NZ 3.39Å; I220-K222 PolarHBondContact O-N 3.25Å
223	Y	95.2	Very high	95.2	Very high	64 Å²	64	57.3 Å²	57.3	25%	0.251	30%	0.296	S	S	.	.	S	Bend	trans	-119.3	144.4	-172.1	-56.8	-86.7	0	0	0	110.5	E219 I220 S221 Q227 N230 A231	E219-Y223 VanDerWaalsContact O-CD2 3.32Å; E219-Y223 WeakPolarHBondContact O-CD2 3.33Å; E219-Y223 WeakPolarHBondContact O-CE2 3.44Å; E219-Y223 WeakPolarHBondContact OE1-CE2 3.36Å; E219-Y223 PolarHBondContact OE1-OH 3.2Å; I220-Y223 PolarHBondContact O-N 2.94Å; I220-Y223 VanDerWaalsContact O-N 3.12Å; S221-Y223 VanDerWaalsContact C-N 3.25Å; S221-Y223 PolarHBondContact O-N 3.49Å; Y223-Q227 HydrophobicContact CD1-CB 4.28Å; Y223-N230 HydrophobicContact CD1-CB 4.05Å; Y223-N230 HydrophobicContact CE1-CB 3.78Å; Y223-A231 HydrophobicContact CD2-CB 3.83Å; Y223-A231 HydrophobicContact CE2-CB 3.73Å
224	T	93	Very high	95.2	Very high	80 Å²	80	56.7 Å²	56.7	49%	0.491	29%	0.292	S	S	.	.			trans	-67.6	159.7	165.3	61.3	0	0	0	0	110.1	D226 Q227 L228	T224-D226 PolarHBondContact O-N 2.74Å; T224-Q227 CarbonylContact O-C 3.6Å; T224-Q227 WeakPolarHBondContact O-CA 3.08Å; T224-Q227 PolarHBondContact O-N 3.09Å; T224-Q227 VanDerWaalsContact OG1-CD 3.31Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.5Å; T224-Q227 PolarHBondContact OG1-OE1 3.11Å; T224-L228 PolarHBondContact O-N 2.63Å; T224-L228 VanDerWaalsContact O-N 3.16Å
225	N	90.4	Very high	95.1	Very high	88 Å²	88	55.1 Å²	55.1	47%	0.471	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.1	179.5	-174.3	39.6	0	0	0	113.1	K159 K163	K159-N225 WeakPolarHBondContact CD-O 3.41Å; K159-N225 WeakPolarHBondContact CE-O 3.5Å; K159-N225 PolarHBondContact NZ-O 3.48Å; K163-N225 WeakPolarHBondContact CE-OD1 3.46Å; K163-N225 PolarHBondContact NZ-OD1 3.47Å
226	D	89.7	Confident	95.1	Very high	110 Å²	110	54.9 Å²	54.9	59%	0.588	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-21.4	177.8	-63.4	-34.5	0	0	0	114	F155 K159 T224	F155-D226 VanDerWaalsContact CE1-O 3.31Å; F155-D226 WeakPolarHBondContact CE1-O 3.41Å; K159-D226 IonicContact NZ-OD1 2.93Å; K159-D226 PolarHBondContact NZ-OD1 3.47Å; T224-D226 PolarHBondContact O-N 2.74Å
227	Q	92.6	Very high	95	Very high	93 Å²	93	55 Å²	55	44%	0.435	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	0.6	179.4	-67.2	171.7	-38.3	0	0	113.6	Y223 T224 G229 N230	Y223-Q227 HydrophobicContact CD1-CB 4.28Å; T224-Q227 CarbonylContact O-C 3.6Å; T224-Q227 WeakPolarHBondContact O-CA 3.08Å; T224-Q227 PolarHBondContact O-N 3.09Å; T224-Q227 VanDerWaalsContact OG1-CD 3.31Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.5Å; T224-Q227 PolarHBondContact OG1-OE1 3.11Å; Q227-G229 PolarHBondContact O-N 3.06Å; Q227-N230 VanDerWaalsContact O-CB 3.29Å; Q227-N230 WeakPolarHBondContact O-CB 3.13Å; Q227-N230 PolarHBondContact O-N 3.19Å
228	L	93.4	Very high	95	Very high	16 Å²	16	52.7 Å²	52.7	8%	0.084	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-54.4	-26.6	-179.2	-74.5	173.5	0	0	0	114.1	K159 K163 I220 T224 N230 A231	K159-L228 HydrophobicContact CG-CB 4.27Å; K163-L228 HydrophobicContact CD-CD1 4.31Å; K163-L228 VanDerWaalsContact CE-CD1 3.42Å; K163-L228 HydrophobicContact CG-CD1 3.87Å; I220-L228 HydrophobicContact CB-CD2 3.81Å; I220-L228 HydrophobicContact CG2-CD2 4.06Å; T224-L228 PolarHBondContact O-N 2.63Å; T224-L228 VanDerWaalsContact O-N 3.16Å; L228-N230 PolarHBondContact O-N 3.28Å; L228-A231 WeakPolarHBondContact O-CB 3.18Å; L228-A231 PolarHBondContact O-N 2.7Å; L228-A231 VanDerWaalsContact O-N 3.12Å
229	G	92.5	Very high	95	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-60.6	-21.1	173.2	0	0	0	0	0	113.9	R158 Q227 H316	R158-G229 VanDerWaalsContact CD-O 3.3Å; R158-G229 WeakPolarHBondContact CD-O 3.39Å; R158-G229 PolarHBondContact NH1-O 3.42Å; Q227-G229 PolarHBondContact O-N 3.06Å; G229-H316 PolarHBondContact O-NE2 3.44Å
230	N	94.1	Very high	95	Very high	67 Å²	67	51.1 Å²	51.1	36%	0.358	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-83.5	-9.3	177.1	-64.3	-35.1	0	0	0	113.7	F155 Y223 Q227 L228 H316	F155-N230 VanDerWaalsContact CE2-OD1 3.28Å; F155-N230 WeakPolarHBondContact CE2-OD1 3.16Å; Y223-N230 HydrophobicContact CD1-CB 4.05Å; Y223-N230 HydrophobicContact CE1-CB 3.78Å; Q227-N230 VanDerWaalsContact O-CB 3.29Å; Q227-N230 WeakPolarHBondContact O-CB 3.13Å; Q227-N230 PolarHBondContact O-N 3.19Å; L228-N230 PolarHBondContact O-N 3.28Å; N230-H316 PolarHBondContact O-NE2 3.3Å
231	A	96.1	Very high	95	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.282	C	S	.	.			trans	-67.7	137.7	-174.3	0	0	0	0	0	112.5	R158 V162 E219 Y223 L228 I233	R158-A231 PolarHBondContact NH1-O 3.24Å; R158-A231 PolarHBondContact NH2-O 3.12Å; V162-A231 HydrophobicContact CG1-CB 4.44Å; E219-A231 HydrophobicContact CG-CB 4.42Å; Y223-A231 HydrophobicContact CD2-CB 3.83Å; Y223-A231 HydrophobicContact CE2-CB 3.73Å; L228-A231 WeakPolarHBondContact O-CB 3.18Å; L228-A231 PolarHBondContact O-N 2.7Å; L228-A231 VanDerWaalsContact O-N 3.12Å; A231-I233 VanDerWaalsContact C-N 3.27Å; A231-I233 HydrophobicContact CB-CG2 4.06Å; A231-I233 PolarHBondContact O-N 3.15Å; A231-I233 VanDerWaalsContact O-N 3.12Å
232	C	96.7	Very high	94.9	Very high	24 Å²	24	53.6 Å²	53.6	16%	0.162	28%	0.282	C	S	.	.			trans	-89.1	55.6	-179.5	-68.7	0	0	0	0	112	E219 A234 T235 C236 D318	E219-C232 PolarHBondContact OE1-N 3.43Å; C232-A234 PolarHBondContact O-N 3.35Å; C232-T235 PolarHBondContact O-N 3.35Å; C232-C236 PolarHBondContact O-N 3.1Å; C232-C236 VanDerWaalsContact O-N 3.12Å; C232-D318 HydrophobicContact CB-CB 4.37Å
233	I	97.1	Very high	95	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.1	-31.3	-174.9	57.8	160	0	0	0	113.4	V162 L165 V166 L216 I220 A231 C236 I237 L308 D318	V162-I233 HydrophobicContact CB-CD1 4.05Å; V162-I233 HydrophobicContact CG1-CD1 4.12Å; V162-I233 HydrophobicContact CG1-CG2 4.04Å; V162-I233 HydrophobicContact CG2-CD1 3.67Å; V162-I233 HydrophobicContact CG2-CG1 4.1Å; L165-I233 HydrophobicContact CB-CD1 4.29Å; L165-I233 HydrophobicContact CD1-CD1 4.09Å; L165-I233 HydrophobicContact CD2-CD1 4.4Å; L165-I233 HydrophobicContact CG-CD1 4.48Å; V166-I233 HydrophobicContact CG2-CG2 4.47Å; L216-I233 HydrophobicContact CD2-CB 3.81Å; L216-I233 HydrophobicContact CD2-CG2 3.88Å; I220-I233 HydrophobicContact CG2-CG2 4.44Å; A231-I233 VanDerWaalsContact C-N 3.27Å; A231-I233 HydrophobicContact CB-CG2 4.06Å; A231-I233 PolarHBondContact O-N 3.15Å; A231-I233 VanDerWaalsContact O-N 3.12Å; I233-C236 WeakPolarHBondContact O-CB 3.45Å; I233-C236 PolarHBondContact O-N 2.81Å; I233-I237 WeakPolarHBondContact O-CG1 3.41Å; I233-I237 PolarHBondContact O-N 2.94Å; I233-L308 HydrophobicContact CD1-CD2 3.81Å; I233-L308 HydrophobicContact CG1-CD2 4.04Å; I233-D318 PolarHBondContact N-OD2 3.32Å
234	A	97.4	Very high	95.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-70.8	-41.1	179.2	0	0	0	0	0	110.6	C232 C236 I237 N238 F305 L308 D318 A321 T322	C232-A234 PolarHBondContact O-N 3.35Å; A234-C236 VanDerWaalsContact C-N 3.29Å; A234-C236 PolarHBondContact O-N 3.32Å; A234-I237 PolarHBondContact O-N 2.94Å; A234-N238 VanDerWaalsContact O-CB 3.23Å; A234-N238 WeakPolarHBondContact O-CB 3.46Å; A234-N238 PolarHBondContact O-N 3.26Å; A234-F305 HydrophobicContact CB-CE1 3.71Å; A234-L308 HydrophobicContact CB-CD2 4.38Å; A234-D318 WeakPolarHBondContact CB-OD1 3.3Å; A234-D318 WeakPolarHBondContact CB-OD2 3.41Å; A234-D318 PolarHBondContact N-OD1 2.97Å; A234-D318 PolarHBondContact N-OD2 2.96Å; A234-A321 HydrophobicContact CB-CB 3.84Å; A234-T322 HydrophobicContact CB-CG2 3.6Å
235	T	97.3	Very high	95.3	Very high	69 Å²	69	43.9 Å²	43.9	42%	0.423	24%	0.241	S	C	.	.	H	α-helix	trans	-59.1	-43.7	173.3	-55.7	0	0	0	0	110.7	C232 N238 S239 D318 A321	C232-T235 PolarHBondContact O-N 3.35Å; T235-N238 PolarHBondContact O-N 2.99Å; T235-S239 PolarHBondContact O-N 3.31Å; T235-D318 WeakPolarHBondContact CB-OD1 3.23Å; T235-D318 PolarHBondContact N-OD1 2.96Å; T235-D318 PolarHBondContact OG1-OD1 3.06Å; T235-A321 WeakPolarHBondContact OG1-CB 3.41Å
236	C	96.1	Very high	95.6	Very high	20 Å²	20	42.8 Å²	42.8	14%	0.135	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-45.2	175.2	-176.7	0	0	0	0	112.5	A215 L216 C232 I233 A234 S239 F240	A215-C236 VanDerWaalsContact C-SG 3.53Å; A215-C236 VanDerWaalsContact CB-SG 3.5Å; L216-C236 HydrophobicContact CD2-CB 4.36Å; C232-C236 PolarHBondContact O-N 3.1Å; C232-C236 VanDerWaalsContact O-N 3.12Å; I233-C236 WeakPolarHBondContact O-CB 3.45Å; I233-C236 PolarHBondContact O-N 2.81Å; A234-C236 VanDerWaalsContact C-N 3.29Å; A234-C236 PolarHBondContact O-N 3.32Å; C236-S239 PolarHBondContact O-OG 3.32Å; C236-F240 VanDerWaalsContact O-CD2 3.32Å; C236-F240 WeakPolarHBondContact O-CD2 3.48Å
237	I	97.3	Very high	96	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-73.3	-33.6	179.3	-67.3	163.9	0	0	0	111.5	L165 I212 L216 I233 A234 S239 F240 R241 M244 F305 M325	L165-I237 HydrophobicContact CD1-CD1 4.3Å; L165-I237 HydrophobicContact CD2-CD1 3.41Å; L165-I237 VanDerWaalsContact CD2-CD1 3.41Å; L165-I237 HydrophobicContact CG-CD1 4.49Å; I212-I237 HydrophobicContact CG2-CG1 3.99Å; L216-I237 HydrophobicContact CD1-CD1 4.14Å; L216-I237 HydrophobicContact CD1-CG1 4.32Å; L216-I237 HydrophobicContact CD2-CD1 4Å; L216-I237 HydrophobicContact CD2-CG1 3.98Å; L216-I237 HydrophobicContact CG-CG1 4.35Å; I233-I237 WeakPolarHBondContact O-CG1 3.41Å; I233-I237 PolarHBondContact O-N 2.94Å; A234-I237 PolarHBondContact O-N 2.94Å; I237-S239 PolarHBondContact O-N 2.79Å; I237-F240 WeakPolarHBondContact O-CA 3.37Å; I237-F240 PolarHBondContact O-N 3.24Å; I237-R241 PolarHBondContact O-N 3.4Å; I237-M244 HydrophobicContact CG2-CE 3.69Å; I237-M244 HydrophobicContact CG2-SD 4.36Å; I237-F305 HydrophobicContact CB-CZ 4.21Å; I237-F305 HydrophobicContact CD1-CE2 4.07Å; I237-F305 HydrophobicContact CD1-CZ 3.63Å; I237-F305 HydrophobicContact CG2-CZ 4.16Å; I237-M325 HydrophobicContact CG2-CE 3.72Å; I237-M325 HydrophobicContact CG2-SD 4.42Å
238	N	96.1	Very high	96.2	Very high	41 Å²	41	33.3 Å²	33.3	22%	0.219	19%	0.185	C	C	.	.	H	α-helix	trans	-62.3	-29.4	-178.6	-166.5	43.7	0	0	0	112.6	A234 T235 F240 R241 Q324 M325	A234-N238 VanDerWaalsContact O-CB 3.23Å; A234-N238 WeakPolarHBondContact O-CB 3.46Å; A234-N238 PolarHBondContact O-N 3.26Å; T235-N238 PolarHBondContact O-N 2.99Å; N238-F240 PolarHBondContact O-N 2.91Å; N238-R241 WeakPolarHBondContact O-CB 3.42Å; N238-R241 PolarHBondContact O-N 3.25Å; N238-R241 VanDerWaalsContact O-N 3.09Å; N238-Q324 PolarHBondContact ND2-OE1 3.1Å; N238-M325 VanDerWaalsContact CA-SD 3.56Å; N238-M325 HydrophobicContact CB-CG 4.05Å; N238-M325 HydrophobicContact CB-SD 3.81Å; N238-M325 PolarHBondContact OD1-SD 3.34Å; N238-M325 VanDerWaalsContact OD1-SD 3.4Å
239	S	96.1	Very high	96.3	Very high	93 Å²	93	33.6 Å²	33.6	65%	0.65	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.4	172.7	64.7	0	0	0	0	113.4	T235 C236 I237	T235-S239 PolarHBondContact O-N 3.31Å; C236-S239 PolarHBondContact O-OG 3.32Å; I237-S239 PolarHBondContact O-N 2.79Å
240	F	97.7	Very high	96.4	Very high	47 Å²	47	35.2 Å²	35.2	21%	0.206	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	7.8	176.3	-59.8	-89.2	0	0	0	113.1	D211 I212 A215 C236 I237 N238 L242 S243 M244	D211-F240 HydrophobicContact CB-CD1 4.47Å; D211-F240 HydrophobicContact CB-CE1 3.81Å; D211-F240 HydrophobicContact CB-CZ 4.37Å; I212-F240 HydrophobicContact CD1-CB 3.87Å; I212-F240 HydrophobicContact CD1-CG 4.34Å; I212-F240 HydrophobicContact CG1-CB 3.68Å; I212-F240 HydrophobicContact CG1-CD1 4.12Å; I212-F240 HydrophobicContact CG1-CD2 3.8Å; I212-F240 HydrophobicContact CG1-CE2 4.46Å; I212-F240 HydrophobicContact CG1-CG 3.6Å; A215-F240 HydrophobicContact CB-CE2 3.81Å; A215-F240 HydrophobicContact CB-CZ 4.09Å; C236-F240 VanDerWaalsContact O-CD2 3.32Å; C236-F240 WeakPolarHBondContact O-CD2 3.48Å; I237-F240 WeakPolarHBondContact O-CA 3.37Å; I237-F240 PolarHBondContact O-N 3.24Å; N238-F240 PolarHBondContact O-N 2.91Å; F240-L242 VanDerWaalsContact C-N 3.34Å; F240-L242 PolarHBondContact O-N 3.1Å; F240-S243 PolarHBondContact O-N 3.16Å; F240-S243 PolarHBondContact O-OG 2.82Å; F240-S243 VanDerWaalsContact O-OG 3.07Å; F240-M244 VanDerWaalsContact O-CB 3.25Å; F240-M244 WeakPolarHBondContact O-CB 3.29Å; F240-M244 PolarHBondContact O-N 3.48Å
241	R	95.5	Very high	96.6	Very high	55 Å²	55	32.2 Å²	32.2	21%	0.208	18%	0.18	C	C	.	.	H	α-helix	trans	-47.8	-52.5	-174.8	170.9	-179.6	146.9	143.3	-2.7	112.6	I237 N238 N245 M325 N328 E628	I237-R241 PolarHBondContact O-N 3.4Å; N238-R241 WeakPolarHBondContact O-CB 3.42Å; N238-R241 PolarHBondContact O-N 3.25Å; N238-R241 VanDerWaalsContact O-N 3.09Å; R241-N245 VanDerWaalsContact O-CB 3.23Å; R241-N245 WeakPolarHBondContact O-CB 3.3Å; R241-N245 PolarHBondContact O-N 3.41Å; R241-N245 PolarHBondContact O-ND2 2.81Å; R241-N245 PolarHBondContact O-OD1 2.93Å; R241-M325 HydrophobicContact CB-SD 4.45Å; R241-N328 WeakPolarHBondContact CD-OD1 3.47Å; R241-N328 WeakPolarHBondContact CG-OD1 3.31Å; R241-N328 PolarHBondContact NE-OD1 3.32Å; R241-E628 IonicContact CZ-OE1 3.3Å; R241-E628 IonicContact NH2-OE1 3.29Å; R241-E628 PolarHBondContact NH2-OE1 2.98Å; R241-E628 IonicContact NH2-OE2 2.75Å; R241-E628 PolarHBondContact NH2-OE2 3.35Å
242	L	94.1	Very high	96.5	Very high	123 Å²	123	32.4 Å²	32.4	64%	0.644	18%	0.181	S	C	*	.	H	α-helix	trans	-66.5	-48.8	-174.9	-64.3	177.8	0	0	0	112.3	F240 N245 E246	F240-L242 VanDerWaalsContact C-N 3.34Å; F240-L242 PolarHBondContact O-N 3.1Å; L242-N245 PolarHBondContact O-N 2.75Å; L242-E246 WeakPolarHBondContact O-CB 3.45Å; L242-E246 WeakPolarHBondContact O-CG 3.49Å; L242-E246 PolarHBondContact O-N 3.19Å
243	S	97	Very high	96.3	Very high	47 Å²	47	32.7 Å²	32.7	33%	0.329	18%	0.18	S	C	.	.	H	α-helix	trans	-66.2	-40.5	-178.5	52.9	0	0	0	0	111.9	F240 A247	F240-S243 PolarHBondContact O-N 3.16Å; F240-S243 PolarHBondContact O-OG 2.82Å; F240-S243 VanDerWaalsContact O-OG 3.07Å; S243-A247 VanDerWaalsContact O-CB 3.31Å; S243-A247 WeakPolarHBondContact O-CB 3.35Å; S243-A247 PolarHBondContact O-N 2.84Å
244	M	97.3	Very high	96	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-46.1	177.1	178.9	176.6	52.3	0	0	111.8	V208 I212 I237 F240 E246 A247 L248 L301 M325 F329	V208-M244 HydrophobicContact CG1-CB 4.1Å; I212-M244 HydrophobicContact CD1-CB 4.09Å; I212-M244 HydrophobicContact CD1-CG 4.16Å; I212-M244 HydrophobicContact CD1-SD 3.7Å; I237-M244 HydrophobicContact CG2-CE 3.69Å; I237-M244 HydrophobicContact CG2-SD 4.36Å; F240-M244 VanDerWaalsContact O-CB 3.25Å; F240-M244 WeakPolarHBondContact O-CB 3.29Å; F240-M244 PolarHBondContact O-N 3.48Å; M244-E246 VanDerWaalsContact C-N 3.32Å; M244-E246 PolarHBondContact O-N 3.02Å; M244-A247 PolarHBondContact O-N 3.4Å; M244-L248 HydrophobicContact CG-CD1 3.81Å; M244-L248 HydrophobicContact CG-CG 4.44Å; M244-L248 WeakPolarHBondContact O-CB 3.38Å; M244-L248 PolarHBondContact O-N 2.81Å; M244-L301 HydrophobicContact SD-CD1 4.32Å; M244-M325 HydrophobicContact CE-CE 3.68Å; M244-F329 HydrophobicContact CE-CE1 3.61Å; M244-F329 HydrophobicContact CE-CE2 4.36Å; M244-F329 HydrophobicContact CE-CZ 3.27Å; M244-F329 HydrophobicContact SD-CE1 4.01Å; M244-F329 HydrophobicContact SD-CZ 3.8Å
245	N	97.2	Very high	95.8	Very high	20 Å²	20	37.4 Å²	37.4	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-46.3	178.1	-74.5	-1.2	0	0	0	111.2	R241 L242 K249 N328 L332	R241-N245 VanDerWaalsContact O-CB 3.23Å; R241-N245 WeakPolarHBondContact O-CB 3.3Å; R241-N245 PolarHBondContact O-N 3.41Å; R241-N245 PolarHBondContact O-ND2 2.81Å; R241-N245 PolarHBondContact O-OD1 2.93Å; L242-N245 PolarHBondContact O-N 2.75Å; N245-K249 WeakPolarHBondContact O-CB 3.45Å; N245-K249 PolarHBondContact O-N 3.36Å; N245-N328 PolarHBondContact ND2-ND2 3.15Å; N245-N328 PolarHBondContact ND2-OD1 3.27Å; N245-N328 PolarHBondContact OD1-ND2 2.91Å; N245-L332 HydrophobicContact CB-CD1 4.34Å; N245-L332 HydrophobicContact CB-CD2 4.11Å; N245-L332 WeakPolarHBondContact OD1-CD2 3.17Å
246	E	96.3	Very high	95.3	Very high	65 Å²	65	36 Å²	36	30%	0.304	20%	0.197	S	C	.	.	H	α-helix	trans	-64.1	-44.4	179.1	-76.7	-61.5	132.7	0	0	112.1	L242 M244 T250 R631	L242-E246 WeakPolarHBondContact O-CB 3.45Å; L242-E246 WeakPolarHBondContact O-CG 3.49Å; L242-E246 PolarHBondContact O-N 3.19Å; M244-E246 VanDerWaalsContact C-N 3.32Å; M244-E246 PolarHBondContact O-N 3.02Å; E246-T250 VanDerWaalsContact O-CB 3.24Å; E246-T250 WeakPolarHBondContact O-CB 3.31Å; E246-T250 PolarHBondContact O-N 3.46Å; E246-T250 PolarHBondContact O-OG1 2.68Å; E246-R631 IonicContact OE1-CZ 3.9Å; E246-R631 VanDerWaalsContact OE1-CZ 3.26Å; E246-R631 IonicContact OE1-NH1 2.88Å; E246-R631 PolarHBondContact OE1-NH1 2.75Å; E246-R631 IonicContact OE1-NH2 3.71Å; E246-R631 IonicContact OE2-CZ 2.86Å; E246-R631 IonicContact OE2-NH1 2.69Å; E246-R631 PolarHBondContact OE2-NH1 3.25Å; E246-R631 IonicContact OE2-NH2 3.78Å; E246-R631 PolarHBondContact OE2-NH2 3.33Å
247	A	97.7	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-48.9	178.7	0	0	0	0	0	112.1	N201 L205 S243 M244 Y251	N201-A247 PolarHBondContact ND2-O 3.44Å; L205-A247 HydrophobicContact CB-CB 4.29Å; L205-A247 HydrophobicContact CD1-CB 3.94Å; S243-A247 VanDerWaalsContact O-CB 3.31Å; S243-A247 WeakPolarHBondContact O-CB 3.35Å; S243-A247 PolarHBondContact O-N 2.84Å; M244-A247 PolarHBondContact O-N 3.4Å; A247-Y251 WeakPolarHBondContact O-CB 3.34Å; A247-Y251 PolarHBondContact O-N 3.1Å
248	L	97.7	Very high	94.2	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-48	177.6	-77.8	170.8	0	0	0	111.6	L205 M244 T250 Y251 I252 L301 L332	L205-L248 HydrophobicContact CD1-CD2 3.71Å; L205-L248 HydrophobicContact CD1-CG 3.86Å; L205-L248 HydrophobicContact CD2-CD2 4.22Å; M244-L248 HydrophobicContact CG-CD1 3.81Å; M244-L248 HydrophobicContact CG-CG 4.44Å; M244-L248 WeakPolarHBondContact O-CB 3.38Å; M244-L248 PolarHBondContact O-N 2.81Å; L248-T250 VanDerWaalsContact C-N 3.34Å; L248-T250 PolarHBondContact O-N 3.37Å; L248-Y251 PolarHBondContact O-N 3.38Å; L248-I252 HydrophobicContact CB-CD1 4.4Å; L248-I252 WeakPolarHBondContact O-CB 3.37Å; L248-I252 WeakPolarHBondContact O-CD1 3.06Å; L248-I252 WeakPolarHBondContact O-CG1 3.26Å; L248-I252 PolarHBondContact O-N 3.39Å; L248-L301 HydrophobicContact CD1-CD1 4.18Å; L248-L332 HydrophobicContact CB-CD2 4.48Å
249	K	95.4	Very high	93.6	Very high	22 Å²	22	42 Å²	42	10%	0.096	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-47.8	179.4	-177.4	166.4	-175.3	165.3	0	111	N245 Y251 I252 L253 L332 D335 V336	N245-K249 WeakPolarHBondContact O-CB 3.45Å; N245-K249 PolarHBondContact O-N 3.36Å; K249-Y251 PolarHBondContact O-N 3.04Å; K249-I252 PolarHBondContact O-N 3.34Å; K249-L253 HydrophobicContact CG-CD1 3.8Å; K249-L253 HydrophobicContact CG-CG 4.37Å; K249-L253 VanDerWaalsContact O-CB 3.31Å; K249-L253 WeakPolarHBondContact O-CB 3.24Å; K249-L253 WeakPolarHBondContact O-CG 3.49Å; K249-L253 PolarHBondContact O-N 3.03Å; K249-L332 HydrophobicContact CB-CD1 4.08Å; K249-L332 HydrophobicContact CD-CD1 4.2Å; K249-D335 IonicContact NZ-OD2 3.86Å; K249-V336 HydrophobicContact CB-CG2 4.24Å; K249-V336 HydrophobicContact CG-CG2 3.99Å
250	T	94.9	Very high	93	Very high	35 Å²	35	38.9 Å²	38.9	22%	0.215	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-44.4	-179.9	-57.8	0	0	0	0	111.1	N201 E246 L248 N254	N201-T250 HydrophobicContact CB-CG2 4.16Å; E246-T250 VanDerWaalsContact O-CB 3.24Å; E246-T250 WeakPolarHBondContact O-CB 3.31Å; E246-T250 PolarHBondContact O-N 3.46Å; E246-T250 PolarHBondContact O-OG1 2.68Å; L248-T250 VanDerWaalsContact C-N 3.34Å; L248-T250 PolarHBondContact O-N 3.37Å; T250-N254 PolarHBondContact O-N 2.87Å; T250-N254 PolarHBondContact O-ND2 2.88Å; T250-N254 VanDerWaalsContact O-ND2 3.13Å
251	Y	97.6	Very high	92.3	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-62.5	-53.4	178.8	-173.3	-83.2	0	0	0	110.7	L199 N201 L202 L205 A247 L248 K249 L253 N254 F255 L291 P294	L199-Y251 VanDerWaalsContact O-CE2 3.24Å; L199-Y251 WeakPolarHBondContact O-CE2 3.43Å; N201-Y251 WeakPolarHBondContact OD1-CA 3.31Å; N201-Y251 VanDerWaalsContact OD1-CB 3.3Å; N201-Y251 WeakPolarHBondContact OD1-CB 3.33Å; N201-Y251 PolarHBondContact OD1-N 3.4Å; L202-Y251 HydrophobicContact CB-CD2 4.36Å; L202-Y251 HydrophobicContact CB-CE2 3.94Å; L202-Y251 HydrophobicContact CD1-CD2 4.32Å; L202-Y251 HydrophobicContact CD1-CE2 3.78Å; L202-Y251 HydrophobicContact CG-CE2 4.36Å; L205-Y251 HydrophobicContact CD2-CD2 4.28Å; L205-Y251 HydrophobicContact CD2-CG 4.14Å; A247-Y251 WeakPolarHBondContact O-CB 3.34Å; A247-Y251 PolarHBondContact O-N 3.1Å; L248-Y251 PolarHBondContact O-N 3.38Å; K249-Y251 PolarHBondContact O-N 3.04Å; Y251-L253 VanDerWaalsContact C-N 3.28Å; Y251-L253 PolarHBondContact O-N 3.3Å; Y251-N254 PolarHBondContact O-N 2.83Å; Y251-N254 VanDerWaalsContact O-N 3.08Å; Y251-F255 HydrophobicContact CD1-CB 4.47Å; Y251-F255 HydrophobicContact CE1-CB 4.26Å; Y251-F255 HydrophobicContact CE1-CD2 4.08Å; Y251-F255 HydrophobicContact CE1-CG 4.5Å; Y251-F255 PolarHBondContact O-N 3.45Å; Y251-L291 WeakPolarHBondContact CE1-O 3.38Å; Y251-L291 PolarHBondContact OH-O 3.46Å; Y251-P294 HydrophobicContact CD1-CB 3.43Å; Y251-P294 VanDerWaalsContact CD1-CB 3.43Å; Y251-P294 HydrophobicContact CD1-CG 3.97Å; Y251-P294 HydrophobicContact CE1-CB 3.44Å; Y251-P294 VanDerWaalsContact CE1-CB 3.44Å; Y251-P294 HydrophobicContact CE1-CG 3.53Å; Y251-P294 HydrophobicContact CE2-CG 4.29Å; Y251-P294 HydrophobicContact CG-CB 4.11Å
252	I	95.1	Very high	91.5	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-35.3	-173.3	-61.1	164.5	0	0	0	111.4	L248 K249 N254 V295 L298 V336 K340	L248-I252 HydrophobicContact CB-CD1 4.4Å; L248-I252 WeakPolarHBondContact O-CB 3.37Å; L248-I252 WeakPolarHBondContact O-CD1 3.06Å; L248-I252 WeakPolarHBondContact O-CG1 3.26Å; L248-I252 PolarHBondContact O-N 3.39Å; K249-I252 PolarHBondContact O-N 3.34Å; I252-N254 VanDerWaalsContact C-N 3.3Å; I252-N254 PolarHBondContact O-N 2.91Å; I252-V295 HydrophobicContact CG1-CG2 4.18Å; I252-V295 HydrophobicContact CG2-CG1 4.18Å; I252-V295 HydrophobicContact CG2-CG2 4.22Å; I252-L298 HydrophobicContact CD1-CB 3.9Å; I252-L298 HydrophobicContact CD1-CD2 3.56Å; I252-L298 HydrophobicContact CD1-CG 4.38Å; I252-V336 HydrophobicContact CB-CG1 3.95Å; I252-V336 HydrophobicContact CG2-CG1 3.34Å; I252-K340 WeakPolarHBondContact O-CE 3.36Å; I252-K340 PolarHBondContact O-NZ 3.41Å; I252-K340 VanDerWaalsContact O-NZ 3.11Å
253	L	91.5	Very high	91	Very high	29 Å²	29	40.6 Å²	40.6	15%	0.152	22%	0.223	C	C	.	.	H	α-helix	trans	-73.1	-20.3	178.3	-69.6	-179.3	0	0	0	113.9	K249 Y251 V336 V339 K340 K343	K249-L253 HydrophobicContact CG-CD1 3.8Å; K249-L253 HydrophobicContact CG-CG 4.37Å; K249-L253 VanDerWaalsContact O-CB 3.31Å; K249-L253 WeakPolarHBondContact O-CB 3.24Å; K249-L253 WeakPolarHBondContact O-CG 3.49Å; K249-L253 PolarHBondContact O-N 3.03Å; Y251-L253 VanDerWaalsContact C-N 3.28Å; Y251-L253 PolarHBondContact O-N 3.3Å; L253-V336 HydrophobicContact CD2-CG1 4.19Å; L253-V339 HydrophobicContact CD1-CB 4.35Å; L253-V339 HydrophobicContact CD1-CG1 3.88Å; L253-V339 HydrophobicContact CD2-CB 3.71Å; L253-V339 HydrophobicContact CD2-CG1 3.58Å; L253-V339 HydrophobicContact CG-CG1 4.36Å; L253-K340 HydrophobicContact CD2-CG 4.06Å; L253-K343 PolarHBondContact O-NZ 3.07Å
254	N	90.5	Very high	90.5	Very high	64 Å²	64	43.4 Å²	43.4	34%	0.342	24%	0.24	S	C	.	.	H	α-helix	trans	-103.7	-15.8	179	-64.8	-27	0	0	0	112.8	Y196 T250 Y251 I252 S256	Y196-N254 PolarHBondContact OH-ND2 2.94Å; T250-N254 PolarHBondContact O-N 2.87Å; T250-N254 PolarHBondContact O-ND2 2.88Å; T250-N254 VanDerWaalsContact O-ND2 3.13Å; Y251-N254 PolarHBondContact O-N 2.83Å; Y251-N254 VanDerWaalsContact O-N 3.08Å; I252-N254 VanDerWaalsContact C-N 3.3Å; I252-N254 PolarHBondContact O-N 2.91Å; N254-S256 PolarHBondContact O-N 2.85Å
255	F	92.6	Very high	90.1	Very high	35 Å²	35	46.6 Å²	46.6	15%	0.154	26%	0.255	C	S	.	.			trans	-57.4	130.7	175.1	176.4	-97.3	0	0	0	111.9	Y251 V257 L291 I292 V295	Y251-F255 HydrophobicContact CD1-CB 4.47Å; Y251-F255 HydrophobicContact CE1-CB 4.26Å; Y251-F255 HydrophobicContact CE1-CD2 4.08Å; Y251-F255 HydrophobicContact CE1-CG 4.5Å; Y251-F255 PolarHBondContact O-N 3.45Å; F255-V257 HydrophobicContact CE1-CG2 4.05Å; F255-V257 HydrophobicContact CZ-CG2 4.35Å; F255-L291 HydrophobicContact CD2-CB 4.49Å; F255-L291 WeakPolarHBondContact CD2-O 3.41Å; F255-L291 HydrophobicContact CE2-CB 3.87Å; F255-L291 VanDerWaalsContact CE2-O 3.3Å; F255-L291 WeakPolarHBondContact CE2-O 3.25Å; F255-I292 HydrophobicContact CD1-CD1 4.15Å; F255-I292 HydrophobicContact CE1-CD1 3.32Å; F255-I292 HydrophobicContact CE2-CD1 4.44Å; F255-I292 HydrophobicContact CZ-CB 4.12Å; F255-I292 HydrophobicContact CZ-CD1 3.5Å; F255-I292 VanDerWaalsContact CZ-CD1 3.5Å; F255-I292 HydrophobicContact CZ-CG1 4.4Å; F255-V295 HydrophobicContact CB-CG2 4.34Å; F255-V295 HydrophobicContact CD1-CG2 3.95Å; F255-V295 HydrophobicContact CE1-CG2 4.47Å; F255-V295 HydrophobicContact CG-CG2 4.02Å
256	S	88.7	Confident	89.8	Confident	41 Å²	41	45.8 Å²	45.8	29%	0.287	25%	0.251	S	S	.	.			trans	-143.1	127.8	179.7	169.8	0	0	0	0	109.5	N254 D258 A259	N254-S256 PolarHBondContact O-N 2.85Å; S256-D258 PolarHBondContact O-N 3.39Å; S256-A259 VanDerWaalsContact O-CB 3.27Å; S256-A259 WeakPolarHBondContact O-CB 3.34Å; S256-A259 PolarHBondContact O-N 3.19Å; S256-A259 VanDerWaalsContact O-N 3.14Å
257	V	85.1	Confident	89.5	Confident	81 Å²	81	48 Å²	48	49%	0.491	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.9	178.9	-175.1	0	0	0	0	111.7	F255 N288	F255-V257 HydrophobicContact CE1-CG2 4.05Å; F255-V257 HydrophobicContact CZ-CG2 4.35Å; V257-N288 PolarHBondContact O-ND2 3.44Å; V257-N288 PolarHBondContact O-OD1 2.92Å
258	D	85.1	Confident	89.2	Confident	105 Å²	105	50.3 Å²	50.3	56%	0.561	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	17	-178.7	-54.1	-36.5	0	0	0	112.6	S256 S260 T261	S256-D258 PolarHBondContact O-N 3.39Å; D258-S260 PolarHBondContact O-N 3.26Å; D258-T261 PolarHBondContact O-N 2.58Å; D258-T261 VanDerWaalsContact O-N 3.12Å; D258-T261 PolarHBondContact O-OG1 3.47Å
259	A	83.2	Confident	89	Confident	3 Å²	3	50.6 Å²	50.6	3%	0.025	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-58.2	-36.1	-178.2	0	0	0	0	0	112.4	S197 L198 S256 T261 K262 I266	S197-A259 WeakPolarHBondContact O-CB 3.36Å; L198-A259 HydrophobicContact CD1-CB 4.01Å; S256-A259 VanDerWaalsContact O-CB 3.27Å; S256-A259 WeakPolarHBondContact O-CB 3.34Å; S256-A259 PolarHBondContact O-N 3.19Å; S256-A259 VanDerWaalsContact O-N 3.14Å; A259-T261 PolarHBondContact O-N 3.28Å; A259-K262 PolarHBondContact O-N 3.44Å; A259-I266 WeakPolarHBondContact O-CG2 3.28Å
260	S	82.7	Confident	88.9	Confident	27 Å²	27	50.1 Å²	50.1	19%	0.189	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-67.3	-16.8	179.6	59.3	0	0	0	0	114.4	D258 Q267 S270	D258-S260 PolarHBondContact O-N 3.26Å; S260-Q267 VanDerWaalsContact O-CA 3.24Å; S260-Q267 WeakPolarHBondContact O-CA 3.28Å; S260-Q267 WeakPolarHBondContact O-CB 3.39Å; S260-Q267 PolarHBondContact O-N 2.68Å; S260-S270 WeakPolarHBondContact CB-OG 3.41Å
261	T	82.4	Confident	88.8	Confident	94 Å²	94	52.8 Å²	52.8	58%	0.577	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-104	5.1	-175.1	65.2	0	0	0	0	113.6	D258 A259	D258-T261 PolarHBondContact O-N 2.58Å; D258-T261 VanDerWaalsContact O-N 3.12Å; D258-T261 PolarHBondContact O-OG1 3.47Å; A259-T261 PolarHBondContact O-N 3.28Å
262	K	79.3	Confident	88.6	Confident	120 Å²	120	55.6 Å²	55.6	52%	0.522	31%	0.312	S	S	.	.	S	Bend	trans	-67.7	-40	-174.9	-73.6	176.9	179.3	167.2	0	113.3	A259 I266	A259-K262 PolarHBondContact O-N 3.44Å; K262-I266 HydrophobicContact CB-CD1 3.95Å
263	N	83.6	Confident	88.6	Confident	48 Å²	48	55.4 Å²	55.4	26%	0.257	31%	0.311	S	S	.	.	S	Bend	trans	-152.8	161.8	179	76.8	26.6	0	0	0	110	N194 E265 I266 Q267	N194-N263 PolarHBondContact OD1-ND2 3.43Å; N263-E265 VanDerWaalsContact C-N 3.32Å; N263-E265 PolarHBondContact O-N 3.17Å; N263-E265 PolarHBondContact OD1-N 2.79Å; N263-I266 HydrophobicContact CB-CD1 4.45Å; N263-I266 VanDerWaalsContact CG-CD1 3.44Å; N263-I266 VanDerWaalsContact ND2-CD1 3.34Å; N263-I266 WeakPolarHBondContact ND2-CD1 3.31Å; N263-I266 PolarHBondContact O-N 2.95Å; N263-I266 WeakPolarHBondContact OD1-CB 3.45Å; N263-I266 WeakPolarHBondContact OD1-CD1 3.33Å; N263-I266 WeakPolarHBondContact OD1-CG1 3.35Å; N263-I266 PolarHBondContact OD1-N 3.05Å; N263-Q267 PolarHBondContact O-N 3.15Å; N263-Q267 VanDerWaalsContact O-N 3.09Å
264	P	87	Confident	88.7	Confident	106 Å²	106	55.9 Å²	55.9	69%	0.688	31%	0.312	S	S	*	.	H	α-helix	trans	-67.1	-28.5	-174.8	25	-34.2	0	0	0	113.8	Q267 A268	P264-Q267 PolarHBondContact O-N 3.04Å; P264-A268 WeakPolarHBondContact O-CB 3.46Å; P264-A268 PolarHBondContact O-N 3.42Å
265	E	88.4	Confident	88.9	Confident	73 Å²	73	59.8 Å²	59.8	34%	0.341	33%	0.326	S	S	.	.	H	α-helix	trans	-68.7	-46	178.6	-167.3	-171.4	137.2	0	0	111.2	V190 T191 N194 N263 Q267 A268 F269	V190-E265 WeakPolarHBondContact CA-OE1 3.46Å; V190-E265 HydrophobicContact CG2-CG 4.45Å; T191-E265 PolarHBondContact N-OE1 3.02Å; N194-E265 PolarHBondContact ND2-OE1 3.29Å; N194-E265 PolarHBondContact ND2-OE2 2.82Å; N263-E265 VanDerWaalsContact C-N 3.32Å; N263-E265 PolarHBondContact O-N 3.17Å; N263-E265 PolarHBondContact OD1-N 2.79Å; E265-Q267 VanDerWaalsContact C-N 3.3Å; E265-Q267 PolarHBondContact O-N 3.1Å; E265-A268 PolarHBondContact O-N 3.1Å; E265-F269 WeakPolarHBondContact O-CB 3.3Å; E265-F269 PolarHBondContact O-N 3.29Å
266	I	90.6	Very high	89	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-39.3	174	-60.8	159.2	0	0	0	110	N194 S197 L198 A259 K262 N263 F269 S270	N194-I266 HydrophobicContact CB-CD1 4.44Å; N194-I266 HydrophobicContact CB-CG1 3.75Å; S197-I266 WeakPolarHBondContact OG-CD1 3.46Å; L198-I266 HydrophobicContact CB-CG2 4.03Å; L198-I266 HydrophobicContact CD1-CG2 4.42Å; L198-I266 HydrophobicContact CD2-CG2 4.37Å; A259-I266 WeakPolarHBondContact O-CG2 3.28Å; K262-I266 HydrophobicContact CB-CD1 3.95Å; N263-I266 HydrophobicContact CB-CD1 4.45Å; N263-I266 VanDerWaalsContact CG-CD1 3.44Å; N263-I266 VanDerWaalsContact ND2-CD1 3.34Å; N263-I266 WeakPolarHBondContact ND2-CD1 3.31Å; N263-I266 PolarHBondContact O-N 2.95Å; N263-I266 WeakPolarHBondContact OD1-CB 3.45Å; N263-I266 WeakPolarHBondContact OD1-CD1 3.33Å; N263-I266 WeakPolarHBondContact OD1-CG1 3.35Å; N263-I266 PolarHBondContact OD1-N 3.05Å; I266-F269 PolarHBondContact O-N 3.28Å; I266-S270 WeakPolarHBondContact O-CB 3.28Å; I266-S270 PolarHBondContact O-N 3.07Å
267	Q	91.2	Very high	89.2	Confident	111 Å²	111	58.6 Å²	58.6	52%	0.519	32%	0.318	S	S	.	.	H	α-helix	trans	-62.9	-47.9	178.5	-170.6	-179.6	6.2	0	0	111.5	S260 N263 P264 E265 S270 V271	S260-Q267 VanDerWaalsContact O-CA 3.24Å; S260-Q267 WeakPolarHBondContact O-CA 3.28Å; S260-Q267 WeakPolarHBondContact O-CB 3.39Å; S260-Q267 PolarHBondContact O-N 2.68Å; N263-Q267 PolarHBondContact O-N 3.15Å; N263-Q267 VanDerWaalsContact O-N 3.09Å; P264-Q267 PolarHBondContact O-N 3.04Å; E265-Q267 VanDerWaalsContact C-N 3.3Å; E265-Q267 PolarHBondContact O-N 3.1Å; Q267-S270 PolarHBondContact O-N 3.41Å; Q267-V271 WeakPolarHBondContact O-CG2 3.2Å; Q267-V271 PolarHBondContact O-N 3.16Å
268	A	90.9	Very high	89.7	Confident	50 Å²	50	58.6 Å²	58.6	41%	0.413	31%	0.312	S	S	.	.	H	α-helix	trans	-61.7	-46.6	176.1	0	0	0	0	0	111.7	P264 E265 S270 V271 L272	P264-A268 WeakPolarHBondContact O-CB 3.46Å; P264-A268 PolarHBondContact O-N 3.42Å; E265-A268 PolarHBondContact O-N 3.1Å; A268-S270 VanDerWaalsContact C-N 3.34Å; A268-S270 PolarHBondContact O-N 3.01Å; A268-V271 PolarHBondContact O-N 2.84Å; A268-L272 WeakPolarHBondContact O-CG 3.38Å; A268-L272 PolarHBondContact O-N 2.88Å
269	F	93.3	Very high	90	Very high	9 Å²	9	58.2 Å²	58.2	4%	0.039	32%	0.318	C	S	.	.	H	α-helix	trans	-58.9	-43.9	176	-179	-114.6	0	0	0	112	F183 V186 V190 R195 L198 L199 E265 I266 V271 L272 G273	F183-F269 HydrophobicContact CB-CZ 4.14Å; F183-F269 HydrophobicContact CD1-CD1 4.07Å; F183-F269 AromaticContact CD1-CE1 3.5Å; F183-F269 HydrophobicContact CD1-CE1 3.5Å; F183-F269 VanDerWaalsContact CD1-CE1 3.5Å; F183-F269 HydrophobicContact CD1-CE2 4.24Å; F183-F269 AromaticContact CD1-CZ 3.6Å; F183-F269 HydrophobicContact CD1-CZ 3.6Å; F183-F269 HydrophobicContact CE1-CD1 4.25Å; F183-F269 HydrophobicContact CE1-CE1 4.08Å; F183-F269 HydrophobicContact CG-CZ 4.38Å; V186-F269 HydrophobicContact CB-CD2 4.14Å; V186-F269 HydrophobicContact CB-CE2 3.96Å; V186-F269 HydrophobicContact CG1-CD2 3.87Å; V186-F269 HydrophobicContact CG1-CE2 4.21Å; V186-F269 HydrophobicContact CG2-CD2 4.41Å; V186-F269 HydrophobicContact CG2-CE2 4.22Å; V190-F269 HydrophobicContact CB-CB 4.45Å; V190-F269 HydrophobicContact CB-CD2 3.92Å; V190-F269 HydrophobicContact CB-CE2 4.3Å; V190-F269 HydrophobicContact CB-CG 4.08Å; V190-F269 HydrophobicContact CG1-CD1 4.29Å; V190-F269 HydrophobicContact CG1-CD2 3.64Å; V190-F269 HydrophobicContact CG1-CE1 4.14Å; V190-F269 HydrophobicContact CG1-CE2 3.49Å; V190-F269 VanDerWaalsContact CG1-CE2 3.49Å; V190-F269 HydrophobicContact CG1-CG 4.05Å; V190-F269 HydrophobicContact CG1-CZ 3.75Å; V190-F269 HydrophobicContact CG2-CB 4.3Å; V190-F269 HydrophobicContact CG2-CD1 4.28Å; V190-F269 HydrophobicContact CG2-CD2 4.45Å; V190-F269 HydrophobicContact CG2-CG 4.11Å; R195-F269 HydrophobicContact CB-CE1 4.45Å; R195-F269 HydrophobicContact CG-CE1 4.15Å; R195-F269 HydrophobicContact CG-CZ 4.21Å; L198-F269 HydrophobicContact CD2-CD1 3.84Å; L198-F269 HydrophobicContact CD2-CE1 4.18Å; L199-F269 HydrophobicContact CD1-CE1 4.49Å; E265-F269 WeakPolarHBondContact O-CB 3.3Å; E265-F269 PolarHBondContact O-N 3.29Å; I266-F269 PolarHBondContact O-N 3.28Å; F269-V271 PolarHBondContact O-N 2.87Å; F269-L272 PolarHBondContact O-N 3.17Å; F269-G273 PolarHBondContact O-N 3.01Å
270	S	93.1	Very high	90.2	Very high	11 Å²	11	63 Å²	63	8%	0.077	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-43.1	176.5	-179.4	0	0	0	0	112.6	S260 I266 Q267 A268 F274 L287	S260-S270 WeakPolarHBondContact CB-OG 3.41Å; I266-S270 WeakPolarHBondContact O-CB 3.28Å; I266-S270 PolarHBondContact O-N 3.07Å; Q267-S270 PolarHBondContact O-N 3.41Å; A268-S270 VanDerWaalsContact C-N 3.34Å; A268-S270 PolarHBondContact O-N 3.01Å; S270-F274 WeakPolarHBondContact O-CB 3.43Å; S270-F274 PolarHBondContact O-N 2.92Å; S270-L287 WeakPolarHBondContact OG-CD2 3.43Å
271	V	93.2	Very high	90.5	Very high	92 Å²	92	65.2 Å²	65.2	56%	0.558	34%	0.344	S	S	*	.	H	α-helix	trans	-68.6	-44.4	-180	169.7	0	0	0	0	110.9	Q267 A268 F269 K275	Q267-V271 WeakPolarHBondContact O-CG2 3.2Å; Q267-V271 PolarHBondContact O-N 3.16Å; A268-V271 PolarHBondContact O-N 2.84Å; F269-V271 PolarHBondContact O-N 2.87Å; V271-K275 WeakPolarHBondContact O-CB 3.3Å; V271-K275 PolarHBondContact O-N 3.12Å
272	L	93.5	Very high	90.8	Very high	63 Å²	63	65.1 Å²	65.1	33%	0.33	35%	0.345	S	S	.	.	H	α-helix	trans	-66.4	-48.3	179	-68.8	174.5	0	0	0	111.8	V186 S188 A268 F269 F274 K275 N276	V186-L272 HydrophobicContact CG1-CB 3.8Å; V186-L272 HydrophobicContact CG1-CD1 3.89Å; V186-L272 HydrophobicContact CG2-CB 4.11Å; S188-L272 WeakPolarHBondContact OG-CD1 3.31Å; A268-L272 WeakPolarHBondContact O-CG 3.38Å; A268-L272 PolarHBondContact O-N 2.88Å; F269-L272 PolarHBondContact O-N 3.17Å; L272-F274 VanDerWaalsContact C-N 3.32Å; L272-F274 PolarHBondContact O-N 3.17Å; L272-K275 WeakPolarHBondContact O-CB 3.1Å; L272-K275 PolarHBondContact O-N 3.47Å; L272-N276 PolarHBondContact O-N 3.22Å
273	G	94.1	Very high	91.4	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.8	-38.7	178.1	0	0	0	0	0	112.3	F269 N276 L277	F269-G273 PolarHBondContact O-N 3.01Å; G273-N276 PolarHBondContact O-N 3.49Å; G273-L277 WeakPolarHBondContact O-CB 3.25Å; G273-L277 PolarHBondContact O-N 3.09Å
274	F	94.7	Very high	91.6	Very high	38 Å²	38	64.9 Å²	64.9	17%	0.167	35%	0.349	C	S	.	.	H	α-helix	trans	-66.6	-38.2	174.7	-176.4	-119.3	0	0	0	112.8	S270 L272 L277 Q278 I284 L285 T286 L287	S270-F274 WeakPolarHBondContact O-CB 3.43Å; S270-F274 PolarHBondContact O-N 2.92Å; L272-F274 VanDerWaalsContact C-N 3.32Å; L272-F274 PolarHBondContact O-N 3.17Å; F274-L277 PolarHBondContact O-N 3.12Å; F274-Q278 WeakPolarHBondContact O-CB 3.38Å; F274-Q278 PolarHBondContact O-N 3.4Å; F274-I284 HydrophobicContact CE2-CG2 3.79Å; F274-I284 HydrophobicContact CZ-CG2 4.39Å; F274-L285 WeakPolarHBondContact CZ-O 3.46Å; F274-T286 VanDerWaalsContact CE2-C 3.46Å; F274-L287 HydrophobicContact CB-CB 4.33Å; F274-L287 HydrophobicContact CD2-CB 3.68Å; F274-L287 HydrophobicContact CD2-CD1 4.21Å; F274-L287 HydrophobicContact CE2-CB 4.25Å; F274-L287 VanDerWaalsContact CE2-N 3.29Å; F274-L287 HydrophobicContact CG-CB 4.07Å
275	K	93.8	Very high	91.7	Very high	147 Å²	147	65.8 Å²	65.8	64%	0.639	35%	0.348	S	S	*	.	H	α-helix	trans	-62.2	-42.9	174.5	-175.1	-178.7	178	-175.8	0	111.6	V271 L272 Q278 S279	V271-K275 WeakPolarHBondContact O-CB 3.3Å; V271-K275 PolarHBondContact O-N 3.12Å; L272-K275 WeakPolarHBondContact O-CB 3.1Å; L272-K275 PolarHBondContact O-N 3.47Å; K275-Q278 PolarHBondContact O-N 3.42Å; K275-S279 PolarHBondContact O-N 3.45Å; K275-S279 VanDerWaalsContact O-N 3.1Å
276	N	94.4	Very high	91.9	Very high	49 Å²	49	65.3 Å²	65.3	26%	0.262	35%	0.35	S	S	.	.	H	α-helix	trans	-60.4	-46.8	174.3	-70	-6.3	0	0	0	110.7	A182 L272 G273 Q278 S279 E280	A182-N276 HydrophobicContact CB-CB 3.99Å; A182-N276 WeakPolarHBondContact O-CB 3.22Å; A182-N276 PolarHBondContact O-ND2 3.2Å; L272-N276 PolarHBondContact O-N 3.22Å; G273-N276 PolarHBondContact O-N 3.49Å; N276-Q278 VanDerWaalsContact C-N 3.34Å; N276-Q278 PolarHBondContact O-N 2.92Å; N276-S279 WeakPolarHBondContact O-CB 3.38Å; N276-S279 PolarHBondContact O-N 2.89Å; N276-S279 VanDerWaalsContact O-N 3.14Å; N276-S279 PolarHBondContact O-OG 2.85Å; N276-E280 PolarHBondContact O-N 2.86Å
277	L	94.8	Very high	92	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-40.7	179.2	-175.7	61	0	0	0	112.5	N178 V179 A182 G273 F274 S279 E280 R281 I284 L287 E290	N178-L277 HydrophobicContact CB-CD1 4.27Å; V179-L277 HydrophobicContact CG2-CD1 4.44Å; V179-L277 HydrophobicContact CG2-CD2 3.98Å; A182-L277 HydrophobicContact CB-CB 3.73Å; A182-L277 HydrophobicContact CB-CD1 4.15Å; G273-L277 WeakPolarHBondContact O-CB 3.25Å; G273-L277 PolarHBondContact O-N 3.09Å; F274-L277 PolarHBondContact O-N 3.12Å; L277-S279 VanDerWaalsContact C-N 3.27Å; L277-S279 PolarHBondContact O-N 3.48Å; L277-E280 PolarHBondContact O-N 2.94Å; L277-R281 PolarHBondContact O-N 3.24Å; L277-I284 HydrophobicContact CD1-CD1 4.33Å; L277-I284 HydrophobicContact CD2-CD1 4.11Å; L277-I284 HydrophobicContact CG-CD1 3.93Å; L277-L287 HydrophobicContact CD2-CD1 4.48Å; L277-E290 HydrophobicContact CD2-CG 4.1Å
278	Q	94.3	Very high	92.1	Very high	81 Å²	81	62.9 Å²	62.9	38%	0.379	34%	0.34	S	S	.	.	H	α-helix	trans	-69.1	-25.9	178.4	-167.8	171.9	56.6	0	0	112.5	F274 K275 N276 E280 R281 P282 I284	F274-Q278 WeakPolarHBondContact O-CB 3.38Å; F274-Q278 PolarHBondContact O-N 3.4Å; K275-Q278 PolarHBondContact O-N 3.42Å; N276-Q278 VanDerWaalsContact C-N 3.34Å; N276-Q278 PolarHBondContact O-N 2.92Å; Q278-E280 VanDerWaalsContact C-N 3.32Å; Q278-R281 CarbonylContact O-C 3.57Å; Q278-R281 VanDerWaalsContact O-C 3.3Å; Q278-R281 PolarHBondContact O-N 3.39Å; Q278-P282 VanDerWaalsContact O-CA 3.29Å; Q278-P282 WeakPolarHBondContact O-CA 3.5Å; Q278-I284 PolarHBondContact NE2-O 3.45Å; Q278-I284 VanDerWaalsContact NE2-O 3.13Å
279	S	91.7	Very high	92.1	Very high	97 Å²	97	64.3 Å²	64.3	68%	0.678	34%	0.341	S	S	*	.	H	α-helix	trans	-66.4	-34.8	174.4	77.6	0	0	0	0	112.6	K275 N276 L277	K275-S279 PolarHBondContact O-N 3.45Å; K275-S279 VanDerWaalsContact O-N 3.1Å; N276-S279 WeakPolarHBondContact O-CB 3.38Å; N276-S279 PolarHBondContact O-N 2.89Å; N276-S279 VanDerWaalsContact O-N 3.14Å; N276-S279 PolarHBondContact O-OG 2.85Å; L277-S279 VanDerWaalsContact C-N 3.27Å; L277-S279 PolarHBondContact O-N 3.48Å
280	E	87.2	Confident	92.2	Very high	103 Å²	103	64.5 Å²	64.5	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-84.6	-33.2	174.6	-62.9	-173.8	170.6	0	0	112.3	N276 L277 Q278	N276-E280 PolarHBondContact O-N 2.86Å; L277-E280 PolarHBondContact O-N 2.94Å; Q278-E280 VanDerWaalsContact C-N 3.32Å
281	R	90	Very high	92.3	Very high	75 Å²	75	64.1 Å²	64.1	28%	0.283	34%	0.339	S	S	.	.			trans	-132.1	81.3	-175.4	-65.8	-177.6	76.6	145.9	-6.5	110.8	D175 L277 Q278 N283 I284	D175-R281 IonicContact OD1-CZ 3.55Å; D175-R281 IonicContact OD1-NH1 3.26Å; D175-R281 PolarHBondContact OD1-NH1 3.12Å; D175-R281 IonicContact OD1-NH2 2.85Å; D175-R281 PolarHBondContact OD1-NH2 3.25Å; L277-R281 PolarHBondContact O-N 3.24Å; Q278-R281 CarbonylContact O-C 3.57Å; Q278-R281 VanDerWaalsContact O-C 3.3Å; Q278-R281 PolarHBondContact O-N 3.39Å; R281-N283 PolarHBondContact O-N 2.69Å; R281-N283 VanDerWaalsContact O-N 3.08Å; R281-I284 HydrophobicContact CB-CD1 3.46Å; R281-I284 VanDerWaalsContact CB-CD1 3.46Å; R281-I284 HydrophobicContact CB-CG1 3.92Å; R281-I284 HydrophobicContact CG-CD1 4.32Å; R281-I284 PolarHBondContact O-N 3.01Å
282	P	88.8	Confident	92.5	Very high	91 Å²	91	61.8 Å²	61.8	59%	0.591	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.1	-173.3	24.9	-35	0	0	0	114.5	Q278 I284	Q278-P282 VanDerWaalsContact O-CA 3.29Å; Q278-P282 WeakPolarHBondContact O-CA 3.5Å; P282-I284 VanDerWaalsContact C-N 3.28Å; P282-I284 PolarHBondContact O-N 3.35Å
283	N	90.1	Very high	92.6	Very high	153 Å²	153	60.6 Å²	60.6	82%	0.818	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.4	-179.9	-63.9	-25	0	0	0	113.9	R281	R281-N283 PolarHBondContact O-N 2.69Å; R281-N283 VanDerWaalsContact O-N 3.08Å
284	I	88.8	Confident	92.8	Very high	11 Å²	11	60.6 Å²	60.6	6%	0.056	32%	0.315	C	S	.	.			trans	-80.3	125.1	179.4	-57.5	172.5	0	0	0	109.3	F274 L277 Q278 R281 P282 E290	F274-I284 HydrophobicContact CE2-CG2 3.79Å; F274-I284 HydrophobicContact CZ-CG2 4.39Å; L277-I284 HydrophobicContact CD1-CD1 4.33Å; L277-I284 HydrophobicContact CD2-CD1 4.11Å; L277-I284 HydrophobicContact CG-CD1 3.93Å; Q278-I284 PolarHBondContact NE2-O 3.45Å; Q278-I284 VanDerWaalsContact NE2-O 3.13Å; R281-I284 HydrophobicContact CB-CD1 3.46Å; R281-I284 VanDerWaalsContact CB-CD1 3.46Å; R281-I284 HydrophobicContact CB-CG1 3.92Å; R281-I284 HydrophobicContact CG-CD1 4.32Å; R281-I284 PolarHBondContact O-N 3.01Å; P282-I284 VanDerWaalsContact C-N 3.28Å; P282-I284 PolarHBondContact O-N 3.35Å; I284-E290 HydrophobicContact CD1-CG 3.88Å; I284-E290 HydrophobicContact CG1-CG 4.42Å; I284-E290 HydrophobicContact CG2-CG 3.7Å
285	L	88.8	Confident	92.8	Very high	125 Å²	125	60.4 Å²	60.4	65%	0.654	32%	0.317	S	S	*	.			trans	-87.8	-45.5	-176.2	-64.5	176.2	0	0	0	112.5	F274	F274-L285 WeakPolarHBondContact CZ-O 3.46Å
286	T	91.9	Very high	92.9	Very high	62 Å²	62	58.4 Å²	58.4	38%	0.38	31%	0.31	S	S	.	.			trans	-137.6	151.2	179.1	77.9	0	0	0	0	111.6	F274 N288 D289	F274-T286 VanDerWaalsContact CE2-C 3.46Å; T286-N288 PolarHBondContact O-N 3.49Å; T286-D289 WeakPolarHBondContact CB-OD2 3.17Å; T286-D289 PolarHBondContact N-OD2 2.68Å; T286-D289 WeakPolarHBondContact O-CB 3.4Å; T286-D289 PolarHBondContact O-N 3.37Å; T286-D289 PolarHBondContact OG1-N 3.25Å; T286-D289 PolarHBondContact OG1-OD1 3.46Å; T286-D289 PolarHBondContact OG1-OD2 2.77Å
287	L	92.9	Very high	93.1	Very high	14 Å²	14	56.9 Å²	56.9	7%	0.073	30%	0.3	C	S	.	.	H	α-helix	trans	-60.4	-35.7	174.7	179.1	62.4	0	0	0	112.1	F183 L198 S270 F274 L277 D289 E290 L291	F183-L287 HydrophobicContact CE1-CD2 4.46Å; F183-L287 HydrophobicContact CE2-CD1 3.6Å; F183-L287 HydrophobicContact CE2-CD2 4.48Å; F183-L287 HydrophobicContact CZ-CD1 3.62Å; F183-L287 HydrophobicContact CZ-CD2 3.64Å; F183-L287 HydrophobicContact CZ-CG 4.29Å; L198-L287 HydrophobicContact CD1-CD2 4.47Å; S270-L287 WeakPolarHBondContact OG-CD2 3.43Å; F274-L287 HydrophobicContact CB-CB 4.33Å; F274-L287 HydrophobicContact CD2-CB 3.68Å; F274-L287 HydrophobicContact CD2-CD1 4.21Å; F274-L287 HydrophobicContact CE2-CB 4.25Å; F274-L287 VanDerWaalsContact CE2-N 3.29Å; F274-L287 HydrophobicContact CG-CB 4.07Å; L277-L287 HydrophobicContact CD2-CD1 4.48Å; L287-D289 PolarHBondContact O-N 2.84Å; L287-E290 PolarHBondContact O-N 3.29Å; L287-E290 VanDerWaalsContact O-N 3.07Å; L287-L291 HydrophobicContact CD1-CD1 4.18Å; L287-L291 HydrophobicContact CD1-CG 4.08Å; L287-L291 HydrophobicContact CD2-CD1 3.98Å; L287-L291 HydrophobicContact CG-CD1 3.72Å; L287-L291 HydrophobicContact CG-CG 4.03Å; L287-L291 PolarHBondContact O-N 3.4Å
288	N	93.3	Very high	93.2	Very high	49 Å²	49	57.1 Å²	57.1	26%	0.262	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-27.6	-179.9	-82.9	-36.8	0	0	0	112.5	V257 T286 E290 I292	V257-N288 PolarHBondContact O-ND2 3.44Å; V257-N288 PolarHBondContact O-OD1 2.92Å; T286-N288 PolarHBondContact O-N 3.49Å; N288-E290 PolarHBondContact O-N 3.12Å; N288-I292 VanDerWaalsContact O-CB 3.29Å; N288-I292 WeakPolarHBondContact O-CB 3.5Å; N288-I292 WeakPolarHBondContact O-CG2 3.42Å; N288-I292 PolarHBondContact O-N 3.46Å
289	D	92.5	Very high	93.3	Very high	79 Å²	79	56.9 Å²	56.9	42%	0.422	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-25.3	175	-61.1	-42.8	0	0	0	112.5	T286 L287 I292	T286-D289 WeakPolarHBondContact CB-OD2 3.17Å; T286-D289 PolarHBondContact N-OD2 2.68Å; T286-D289 WeakPolarHBondContact O-CB 3.4Å; T286-D289 PolarHBondContact O-N 3.37Å; T286-D289 PolarHBondContact OG1-N 3.25Å; T286-D289 PolarHBondContact OG1-OD1 3.46Å; T286-D289 PolarHBondContact OG1-OD2 2.77Å; L287-D289 PolarHBondContact O-N 2.84Å; D289-I292 WeakPolarHBondContact O-CG2 3.34Å
290	E	94.6	Very high	93.5	Very high	13 Å²	13	57.6 Å²	57.6	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-88.9	-46.5	175.9	-64.5	-62.7	134.6	0	0	111.2	V179 L277 I284 L287 N288 I292 K293	V179-E290 HydrophobicContact CG2-CB 4.08Å; L277-E290 HydrophobicContact CD2-CG 4.1Å; I284-E290 HydrophobicContact CD1-CG 3.88Å; I284-E290 HydrophobicContact CG1-CG 4.42Å; I284-E290 HydrophobicContact CG2-CG 3.7Å; L287-E290 PolarHBondContact O-N 3.29Å; L287-E290 VanDerWaalsContact O-N 3.07Å; N288-E290 PolarHBondContact O-N 3.12Å; E290-I292 PolarHBondContact O-N 2.77Å; E290-K293 VanDerWaalsContact O-CB 3.3Å; E290-K293 WeakPolarHBondContact O-CB 3.28Å; E290-K293 WeakPolarHBondContact O-CG 3.26Å; E290-K293 PolarHBondContact O-N 3.05Å; E290-K293 VanDerWaalsContact O-N 3.1Å; E290-K293 WeakPolarHBondContact OE1-CE 3.5Å; E290-K293 IonicContact OE1-NZ 3.57Å; E290-K293 PolarHBondContact OE1-NZ 3.47Å; E290-K293 VanDerWaalsContact OE2-CE 3.31Å; E290-K293 WeakPolarHBondContact OE2-CE 3.25Å; E290-K293 IonicContact OE2-NZ 2.71Å; E290-K293 PolarHBondContact OE2-NZ 2.93Å
291	L	95.8	Very high	94.1	Very high	3 Å²	3	53 Å²	53	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-69.2	-19.2	-178.4	-61.4	-178.3	0	0	0	113.5	V179 L198 L199 Y251 F255 L287 K293 P294	V179-L291 HydrophobicContact CG1-CD2 4.05Å; L198-L291 HydrophobicContact CD1-CD1 4.24Å; L199-L291 HydrophobicContact CD2-CD2 3.86Å; Y251-L291 WeakPolarHBondContact CE1-O 3.38Å; Y251-L291 PolarHBondContact OH-O 3.46Å; F255-L291 HydrophobicContact CD2-CB 4.49Å; F255-L291 WeakPolarHBondContact CD2-O 3.41Å; F255-L291 HydrophobicContact CE2-CB 3.87Å; F255-L291 VanDerWaalsContact CE2-O 3.3Å; F255-L291 WeakPolarHBondContact CE2-O 3.25Å; L287-L291 HydrophobicContact CD1-CD1 4.18Å; L287-L291 HydrophobicContact CD1-CG 4.08Å; L287-L291 HydrophobicContact CD2-CD1 3.98Å; L287-L291 HydrophobicContact CG-CD1 3.72Å; L287-L291 HydrophobicContact CG-CG 4.03Å; L287-L291 PolarHBondContact O-N 3.4Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-P294 WeakPolarHBondContact O-CD 3.4Å
292	I	95.7	Very high	94.4	Very high	43 Å²	43	51.8 Å²	51.8	22%	0.221	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.1	173.6	-165.4	65.7	0	0	0	112.8	F255 N288 D289 E290 V295 Q296	F255-I292 HydrophobicContact CD1-CD1 4.15Å; F255-I292 HydrophobicContact CE1-CD1 3.32Å; F255-I292 HydrophobicContact CE2-CD1 4.44Å; F255-I292 HydrophobicContact CZ-CB 4.12Å; F255-I292 HydrophobicContact CZ-CD1 3.5Å; F255-I292 VanDerWaalsContact CZ-CD1 3.5Å; F255-I292 HydrophobicContact CZ-CG1 4.4Å; N288-I292 VanDerWaalsContact O-CB 3.29Å; N288-I292 WeakPolarHBondContact O-CB 3.5Å; N288-I292 WeakPolarHBondContact O-CG2 3.42Å; N288-I292 PolarHBondContact O-N 3.46Å; D289-I292 WeakPolarHBondContact O-CG2 3.34Å; E290-I292 PolarHBondContact O-N 2.77Å; I292-V295 HydrophobicContact CD1-CB 3.96Å; I292-V295 HydrophobicContact CD1-CG1 4.39Å; I292-V295 HydrophobicContact CD1-CG2 3.95Å; I292-V295 HydrophobicContact CG1-CB 4.5Å; I292-V295 WeakPolarHBondContact O-CB 3.32Å; I292-V295 PolarHBondContact O-N 3.06Å; I292-Q296 HydrophobicContact CG1-CG 4.38Å; I292-Q296 PolarHBondContact O-N 3.2Å; I292-Q296 VanDerWaalsContact O-N 3.16Å
293	K	96.5	Very high	94.8	Very high	39 Å²	39	52 Å²	52	17%	0.17	27%	0.265	C	S	.	.	H	α-helix	trans	-56.7	-41.7	-174.1	-70.4	178.4	176.9	176.1	0	113.8	D175 M176 E290 L291 V295 Q296 R297	D175-K293 IonicContact OD2-NZ 3.98Å; D175-K293 PolarHBondContact OD2-NZ 3.27Å; M176-K293 HydrophobicContact CE-CB 4.05Å; M176-K293 HydrophobicContact CE-CD 3.82Å; M176-K293 HydrophobicContact CE-CG 4.48Å; E290-K293 VanDerWaalsContact O-CB 3.3Å; E290-K293 WeakPolarHBondContact O-CB 3.28Å; E290-K293 WeakPolarHBondContact O-CG 3.26Å; E290-K293 PolarHBondContact O-N 3.05Å; E290-K293 VanDerWaalsContact O-N 3.1Å; E290-K293 WeakPolarHBondContact OE1-CE 3.5Å; E290-K293 IonicContact OE1-NZ 3.57Å; E290-K293 PolarHBondContact OE1-NZ 3.47Å; E290-K293 VanDerWaalsContact OE2-CE 3.31Å; E290-K293 WeakPolarHBondContact OE2-CE 3.25Å; E290-K293 IonicContact OE2-NZ 2.71Å; E290-K293 PolarHBondContact OE2-NZ 2.93Å; L291-K293 VanDerWaalsContact C-N 3.32Å; K293-V295 VanDerWaalsContact C-N 3.28Å; K293-V295 PolarHBondContact O-N 2.92Å; K293-Q296 CarbonylContact O-C 3.56Å; K293-Q296 WeakPolarHBondContact O-CB 3.35Å; K293-Q296 PolarHBondContact O-N 3.29Å; K293-Q296 VanDerWaalsContact O-N 3.13Å; K293-R297 WeakPolarHBondContact O-CB 2.94Å; K293-R297 PolarHBondContact O-N 2.91Å
294	P	97.6	Very high	95.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-35.5	173	-31.4	40.2	0	0	0	114.7	F172 M176 L202 L205 Y251 L291 R297 L298	F172-P294 HydrophobicContact CE2-CB 4.47Å; F172-P294 HydrophobicContact CE2-CG 4.08Å; F172-P294 HydrophobicContact CZ-CB 4.38Å; F172-P294 HydrophobicContact CZ-CG 4.12Å; M176-P294 HydrophobicContact SD-CG 3.8Å; L202-P294 HydrophobicContact CD1-CG 4.38Å; L205-P294 HydrophobicContact CD2-CB 3.67Å; L205-P294 HydrophobicContact CD2-CG 3.91Å; Y251-P294 HydrophobicContact CD1-CB 3.43Å; Y251-P294 VanDerWaalsContact CD1-CB 3.43Å; Y251-P294 HydrophobicContact CD1-CG 3.97Å; Y251-P294 HydrophobicContact CE1-CB 3.44Å; Y251-P294 VanDerWaalsContact CE1-CB 3.44Å; Y251-P294 HydrophobicContact CE1-CG 3.53Å; Y251-P294 HydrophobicContact CE2-CG 4.29Å; Y251-P294 HydrophobicContact CG-CB 4.11Å; L291-P294 WeakPolarHBondContact O-CD 3.4Å; P294-R297 PolarHBondContact O-N 3.36Å; P294-L298 PolarHBondContact O-N 3.44Å
295	V	95.5	Very high	95.6	Very high	33 Å²	33	45.4 Å²	45.4	20%	0.2	23%	0.229	C	C	.	.	H	α-helix	trans	-66.5	-42.8	175.6	-174.4	0	0	0	0	110.2	I252 F255 I292 K293 R297	I252-V295 HydrophobicContact CG1-CG2 4.18Å; I252-V295 HydrophobicContact CG2-CG1 4.18Å; I252-V295 HydrophobicContact CG2-CG2 4.22Å; F255-V295 HydrophobicContact CB-CG2 4.34Å; F255-V295 HydrophobicContact CD1-CG2 3.95Å; F255-V295 HydrophobicContact CE1-CG2 4.47Å; F255-V295 HydrophobicContact CG-CG2 4.02Å; I292-V295 HydrophobicContact CD1-CB 3.96Å; I292-V295 HydrophobicContact CD1-CG1 4.39Å; I292-V295 HydrophobicContact CD1-CG2 3.95Å; I292-V295 HydrophobicContact CG1-CB 4.5Å; I292-V295 WeakPolarHBondContact O-CB 3.32Å; I292-V295 PolarHBondContact O-N 3.06Å; K293-V295 VanDerWaalsContact C-N 3.28Å; K293-V295 PolarHBondContact O-N 2.92Å; V295-R297 VanDerWaalsContact C-N 3.33Å
296	Q	96.5	Very high	96	Very high	105 Å²	105	43.4 Å²	43.4	49%	0.491	22%	0.217	S	C	.	.	H	α-helix	trans	-67.3	-34.1	175.8	-62.1	173.9	-11	0	0	111.9	I292 K293 L298 V299 K300	I292-Q296 HydrophobicContact CG1-CG 4.38Å; I292-Q296 PolarHBondContact O-N 3.2Å; I292-Q296 VanDerWaalsContact O-N 3.16Å; K293-Q296 CarbonylContact O-C 3.56Å; K293-Q296 WeakPolarHBondContact O-CB 3.35Å; K293-Q296 PolarHBondContact O-N 3.29Å; K293-Q296 VanDerWaalsContact O-N 3.13Å; Q296-L298 VanDerWaalsContact C-N 3.34Å; Q296-L298 PolarHBondContact O-N 3.06Å; Q296-V299 PolarHBondContact O-N 3.4Å; Q296-V299 VanDerWaalsContact O-N 3.15Å; Q296-K300 WeakPolarHBondContact O-CG 3.36Å; Q296-K300 PolarHBondContact O-N 3.35Å
297	R	97.8	Very high	96.2	Very high	17 Å²	17	43.8 Å²	43.8	6%	0.064	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-40.4	-177.9	-173.9	61	-179.8	167.3	3.9	112.2	T168 Q169 F172 K293 P294 V295 V299 K300 L301	T168-R297 PolarHBondContact OG1-NH1 3.4Å; Q169-R297 VanDerWaalsContact CA-NH2 3.33Å; F172-R297 HydrophobicContact CD1-CG 4.41Å; F172-R297 HydrophobicContact CD2-CB 4.21Å; F172-R297 HydrophobicContact CD2-CG 4.12Å; F172-R297 HydrophobicContact CE1-CG 4.43Å; F172-R297 HydrophobicContact CE2-CB 3.97Å; F172-R297 HydrophobicContact CE2-CG 4.14Å; F172-R297 HydrophobicContact CG-CG 4.25Å; F172-R297 HydrophobicContact CZ-CB 4.38Å; F172-R297 HydrophobicContact CZ-CG 4.3Å; K293-R297 WeakPolarHBondContact O-CB 2.94Å; K293-R297 PolarHBondContact O-N 2.91Å; P294-R297 PolarHBondContact O-N 3.36Å; V295-R297 VanDerWaalsContact C-N 3.33Å; R297-V299 VanDerWaalsContact C-N 3.31Å; R297-V299 PolarHBondContact O-N 3.4Å; R297-K300 PolarHBondContact O-N 2.68Å; R297-L301 HydrophobicContact CG-CD1 4.03Å; R297-L301 HydrophobicContact CG-CG 4.33Å; R297-L301 WeakPolarHBondContact O-CB 3.29Å; R297-L301 WeakPolarHBondContact O-CG 3.45Å; R297-L301 PolarHBondContact O-N 2.96Å
298	L	97.6	Very high	96.4	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-57.4	-45	175.3	176.4	57.2	0	0	0	111.9	I252 P294 Q296 L301 K302 F329 L332 A333 V336	I252-L298 HydrophobicContact CD1-CB 3.9Å; I252-L298 HydrophobicContact CD1-CD2 3.56Å; I252-L298 HydrophobicContact CD1-CG 4.38Å; P294-L298 PolarHBondContact O-N 3.44Å; Q296-L298 VanDerWaalsContact C-N 3.34Å; Q296-L298 PolarHBondContact O-N 3.06Å; L298-L301 PolarHBondContact O-N 3.47Å; L298-K302 PolarHBondContact O-N 2.86Å; L298-K302 VanDerWaalsContact O-N 3.13Å; L298-F329 HydrophobicContact CD1-CD1 3.85Å; L298-L332 HydrophobicContact CD1-CB 4.25Å; L298-L332 HydrophobicContact CD1-CD2 3.64Å; L298-L332 HydrophobicContact CD1-CG 3.95Å; L298-L332 HydrophobicContact CD2-CG 4.25Å; L298-A333 HydrophobicContact CD2-CB 4.33Å; L298-A333 HydrophobicContact CG-CB 4.44Å; L298-V336 HydrophobicContact CD2-CG2 4.46Å
299	V	95.7	Very high	96.4	Very high	75 Å²	75	43.5 Å²	43.5	46%	0.455	21%	0.212	S	C	.	.	H	α-helix	trans	-66.2	-41.1	178.8	-177.8	0	0	0	0	110.9	Q296 R297 K302 Q303	Q296-V299 PolarHBondContact O-N 3.4Å; Q296-V299 VanDerWaalsContact O-N 3.15Å; R297-V299 VanDerWaalsContact C-N 3.31Å; R297-V299 PolarHBondContact O-N 3.4Å; V299-K302 PolarHBondContact O-N 3.45Å; V299-Q303 WeakPolarHBondContact O-CG 3.33Å; V299-Q303 PolarHBondContact O-N 3.01Å; V299-Q303 VanDerWaalsContact O-N 3.11Å
300	K	97	Very high	96.5	Very high	113 Å²	113	44.7 Å²	44.7	49%	0.491	22%	0.219	S	C	.	.	H	α-helix	trans	-65.3	-41.5	177.8	-69.2	-63.7	-177.3	-178.2	0	112.7	Q296 R297 Q303 L304	Q296-K300 WeakPolarHBondContact O-CG 3.36Å; Q296-K300 PolarHBondContact O-N 3.35Å; R297-K300 PolarHBondContact O-N 2.68Å; K300-Q303 PolarHBondContact O-N 3.11Å; K300-L304 WeakPolarHBondContact O-CB 3.28Å; K300-L304 WeakPolarHBondContact O-CG 3.46Å; K300-L304 PolarHBondContact O-N 2.77Å
301	L	98	Very high	96.5	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-46.5	175.3	-73.8	168.7	0	0	0	110.9	M244 L248 R297 L298 Q303 L304 F305 F329	M244-L301 HydrophobicContact SD-CD1 4.32Å; L248-L301 HydrophobicContact CD1-CD1 4.18Å; R297-L301 HydrophobicContact CG-CD1 4.03Å; R297-L301 HydrophobicContact CG-CG 4.33Å; R297-L301 WeakPolarHBondContact O-CB 3.29Å; R297-L301 WeakPolarHBondContact O-CG 3.45Å; R297-L301 PolarHBondContact O-N 2.96Å; L298-L301 PolarHBondContact O-N 3.47Å; L301-Q303 VanDerWaalsContact C-N 3.35Å; L301-Q303 PolarHBondContact O-N 3.4Å; L301-L304 PolarHBondContact O-N 3.3Å; L301-F305 HydrophobicContact CD2-CE2 4.4Å; L301-F305 WeakPolarHBondContact O-CB 3.34Å; L301-F305 WeakPolarHBondContact O-CD2 3.42Å; L301-F305 PolarHBondContact O-N 3.29Å; L301-F329 HydrophobicContact CB-CD1 4.14Å; L301-F329 HydrophobicContact CB-CD2 4.01Å; L301-F329 HydrophobicContact CB-CE1 3.98Å; L301-F329 HydrophobicContact CB-CE2 3.85Å; L301-F329 HydrophobicContact CB-CG 4.14Å; L301-F329 HydrophobicContact CB-CZ 3.8Å; L301-F329 HydrophobicContact CD1-CE1 3.73Å; L301-F329 HydrophobicContact CD1-CZ 3.73Å; L301-F329 HydrophobicContact CD2-CZ 4.27Å; L301-F329 HydrophobicContact CG-CE1 4.42Å; L301-F329 HydrophobicContact CG-CZ 4.15Å
302	K	96.5	Very high	96.4	Very high	50 Å²	50	45.2 Å²	45.2	22%	0.217	22%	0.223	C	C	.	.	H	α-helix	trans	-53.5	-50.1	173.8	179.8	-176.5	164.7	173.6	0	112	L298 V299 F305 E306 F326 F329 D330	L298-K302 PolarHBondContact O-N 2.86Å; L298-K302 VanDerWaalsContact O-N 3.13Å; V299-K302 PolarHBondContact O-N 3.45Å; K302-F305 PolarHBondContact O-N 2.67Å; K302-E306 WeakPolarHBondContact O-CB 3.32Å; K302-E306 PolarHBondContact O-N 3.2Å; K302-F326 HydrophobicContact CG-CE2 4.35Å; K302-F329 HydrophobicContact CB-CB 3.98Å; K302-D330 HydrophobicContact CD-CB 4.48Å; K302-D330 WeakPolarHBondContact CE-OD1 3.5Å; K302-D330 IonicContact NZ-OD1 2.81Å; K302-D330 PolarHBondContact NZ-OD1 3.48Å
303	Q	97.1	Very high	96.1	Very high	97 Å²	97	45.3 Å²	45.3	45%	0.453	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-43.6	-179.2	-71.3	173.9	-9.5	0	0	112.9	V299 K300 L301 E306 L307	V299-Q303 WeakPolarHBondContact O-CG 3.33Å; V299-Q303 PolarHBondContact O-N 3.01Å; V299-Q303 VanDerWaalsContact O-N 3.11Å; K300-Q303 PolarHBondContact O-N 3.11Å; L301-Q303 VanDerWaalsContact C-N 3.35Å; L301-Q303 PolarHBondContact O-N 3.4Å; Q303-E306 PolarHBondContact O-N 3.39Å; Q303-L307 PolarHBondContact O-N 2.69Å; Q303-L307 VanDerWaalsContact O-N 3.09Å
304	L	97.7	Very high	95.8	Very high	24 Å²	24	51.2 Å²	51.2	13%	0.126	26%	0.258	C	S	.	.	H	α-helix	trans	-65.6	-40	179.3	-72.9	170.3	0	0	0	111.5	E164 L165 K300 L301 L308	E164-L304 HydrophobicContact CG-CD2 3.99Å; L165-L304 HydrophobicContact CD1-CB 4.37Å; L165-L304 HydrophobicContact CG-CD1 4.45Å; K300-L304 WeakPolarHBondContact O-CB 3.28Å; K300-L304 WeakPolarHBondContact O-CG 3.46Å; K300-L304 PolarHBondContact O-N 2.77Å; L301-L304 PolarHBondContact O-N 3.3Å; L304-L308 VanDerWaalsContact O-CB 3.26Å; L304-L308 WeakPolarHBondContact O-CB 3.49Å; L304-L308 PolarHBondContact O-N 2.74Å
305	F	98	Very high	95.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-74.7	-30.1	177.4	-86.5	-84	0	0	0	113.4	L165 A234 I237 L301 K302 L308 K309 M325 F326 F329	L165-F305 HydrophobicContact CD1-CD2 4.2Å; L165-F305 HydrophobicContact CD1-CE2 3.71Å; L165-F305 HydrophobicContact CD1-CZ 4.03Å; A234-F305 HydrophobicContact CB-CE1 3.71Å; I237-F305 HydrophobicContact CB-CZ 4.21Å; I237-F305 HydrophobicContact CD1-CE2 4.07Å; I237-F305 HydrophobicContact CD1-CZ 3.63Å; I237-F305 HydrophobicContact CG2-CZ 4.16Å; L301-F305 HydrophobicContact CD2-CE2 4.4Å; L301-F305 WeakPolarHBondContact O-CB 3.34Å; L301-F305 WeakPolarHBondContact O-CD2 3.42Å; L301-F305 PolarHBondContact O-N 3.29Å; K302-F305 PolarHBondContact O-N 2.67Å; F305-L308 HydrophobicContact CD1-CD2 4.29Å; F305-L308 HydrophobicContact CE1-CD2 4.24Å; F305-L308 PolarHBondContact O-N 2.9Å; F305-K309 WeakPolarHBondContact O-CB 3.4Å; F305-K309 PolarHBondContact O-N 3.43Å; F305-M325 HydrophobicContact CD1-CB 3.33Å; F305-M325 HydrophobicContact CD1-CG 4.3Å; F305-M325 HydrophobicContact CE1-CB 3.26Å; F305-M325 HydrophobicContact CE1-CG 3.73Å; F305-M325 HydrophobicContact CE2-CB 4.49Å; F305-M325 HydrophobicContact CG-CB 3.98Å; F305-M325 HydrophobicContact CZ-CB 3.87Å; F305-M325 HydrophobicContact CZ-CE 4.5Å; F305-M325 HydrophobicContact CZ-CG 4.1Å; F305-F326 HydrophobicContact CB-CB 4.16Å; F305-F329 HydrophobicContact CB-CD2 4.49Å; F305-F329 AromaticContact CD2-CD2 3.77Å; F305-F329 HydrophobicContact CD2-CD2 3.77Å; F305-F329 AromaticContact CD2-CE2 3.45Å; F305-F329 HydrophobicContact CD2-CE2 3.45Å; F305-F329 VanDerWaalsContact CD2-CE2 3.45Å; F305-F329 HydrophobicContact CE2-CD2 4.28Å; F305-F329 AromaticContact CE2-CE2 3.5Å; F305-F329 HydrophobicContact CE2-CE2 3.5Å; F305-F329 VanDerWaalsContact CE2-CE2 3.5Å; F305-F329 HydrophobicContact CE2-CZ 4.38Å; F305-F329 HydrophobicContact CG-CD2 4.24Å; F305-F329 HydrophobicContact CG-CE2 4.23Å; F305-F329 HydrophobicContact CZ-CE2 4.3Å
306	E	97.4	Very high	95.2	Very high	83 Å²	83	57.6 Å²	57.6	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-60.1	-50.6	169.7	-170	168.9	-160	0	0	110.5	K302 Q303 K309 D310 F326	K302-E306 WeakPolarHBondContact O-CB 3.32Å; K302-E306 PolarHBondContact O-N 3.2Å; Q303-E306 PolarHBondContact O-N 3.39Å; E306-K309 WeakPolarHBondContact O-CB 3.46Å; E306-K309 PolarHBondContact O-N 2.77Å; E306-D310 PolarHBondContact O-N 3.07Å; E306-D310 VanDerWaalsContact O-N 3.11Å; E306-F326 HydrophobicContact CB-CD2 3.62Å; E306-F326 HydrophobicContact CB-CE2 3.54Å; E306-F326 HydrophobicContact CG-CD2 4.14Å; E306-F326 HydrophobicContact CG-CE2 3.63Å; E306-F326 HydrophobicContact CG-CZ 4.21Å
307	L	96.4	Very high	95.1	Very high	71 Å²	71	57.3 Å²	57.3	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-43.3	176.8	-177.1	60	0	0	0	111.8	V161 Q303 K309 D310 V311	V161-L307 HydrophobicContact CG2-CD2 3.51Å; V161-L307 HydrophobicContact CG2-CG 3.66Å; Q303-L307 PolarHBondContact O-N 2.69Å; Q303-L307 VanDerWaalsContact O-N 3.09Å; L307-K309 VanDerWaalsContact C-N 3.33Å; L307-K309 PolarHBondContact O-N 3.01Å; L307-D310 PolarHBondContact O-N 3.27Å; L307-V311 HydrophobicContact CD1-CG1 4.13Å; L307-V311 WeakPolarHBondContact O-CG1 3.41Å; L307-V311 WeakPolarHBondContact O-CG2 3.26Å; L307-V311 PolarHBondContact O-N 2.75Å; L307-V311 VanDerWaalsContact O-N 3.13Å
308	L	97.1	Very high	95	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-41.5	179.1	-172.1	62	0	0	0	111.6	R158 V161 V162 I233 A234 L304 F305 D310 V311 T312 T322	R158-L308 HydrophobicContact CG-CD1 4Å; V161-L308 HydrophobicContact CB-CD1 4.28Å; V161-L308 HydrophobicContact CG1-CB 3.87Å; V161-L308 HydrophobicContact CG1-CD1 3.93Å; V161-L308 HydrophobicContact CG1-CG 4.44Å; V162-L308 HydrophobicContact CG2-CD1 4.32Å; I233-L308 HydrophobicContact CD1-CD2 3.81Å; I233-L308 HydrophobicContact CG1-CD2 4.04Å; A234-L308 HydrophobicContact CB-CD2 4.38Å; L304-L308 VanDerWaalsContact O-CB 3.26Å; L304-L308 WeakPolarHBondContact O-CB 3.49Å; L304-L308 PolarHBondContact O-N 2.74Å; F305-L308 HydrophobicContact CD1-CD2 4.29Å; F305-L308 HydrophobicContact CE1-CD2 4.24Å; F305-L308 PolarHBondContact O-N 2.9Å; L308-D310 VanDerWaalsContact C-N 3.33Å; L308-V311 PolarHBondContact O-N 2.81Å; L308-T312 VanDerWaalsContact O-CB 3.28Å; L308-T312 WeakPolarHBondContact O-CB 3.17Å; L308-T312 PolarHBondContact O-N 3.36Å; L308-T312 VanDerWaalsContact O-N 3.09Å; L308-T312 PolarHBondContact O-OG1 2.86Å; L308-T322 HydrophobicContact CD2-CG2 3.82Å; L308-T322 HydrophobicContact CG-CG2 3.73Å
309	K	94.6	Very high	94.8	Very high	56 Å²	56	57.4 Å²	57.4	24%	0.243	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-43.7	174.2	179.1	-168.5	65.5	62.7	0	111.1	F305 E306 L307 V311 T323 F326	F305-K309 WeakPolarHBondContact O-CB 3.4Å; F305-K309 PolarHBondContact O-N 3.43Å; E306-K309 WeakPolarHBondContact O-CB 3.46Å; E306-K309 PolarHBondContact O-N 2.77Å; L307-K309 VanDerWaalsContact C-N 3.33Å; L307-K309 PolarHBondContact O-N 3.01Å; K309-V311 VanDerWaalsContact C-N 3.32Å; K309-V311 PolarHBondContact O-N 3Å; K309-T323 HydrophobicContact CD-CG2 4.48Å; K309-F326 HydrophobicContact CD-CB 4.28Å; K309-F326 HydrophobicContact CD-CD1 3.92Å; K309-F326 HydrophobicContact CD-CG 4.22Å
310	D	93.3	Very high	94.7	Very high	105 Å²	105	57.5 Å²	57.5	56%	0.561	30%	0.298	S	S	*	.	H	α-helix	trans	-70.9	-25.8	-177.4	-70.4	-12.9	0	0	0	113.7	E306 L307 L308	E306-D310 PolarHBondContact O-N 3.07Å; E306-D310 VanDerWaalsContact O-N 3.11Å; L307-D310 PolarHBondContact O-N 3.27Å; L308-D310 VanDerWaalsContact C-N 3.33Å
311	V	94.2	Very high	94.5	Very high	17 Å²	17	52.4 Å²	52.4	10%	0.103	28%	0.277	C	S	.	.	H	α-helix	trans	-105.2	1.9	-177.2	-53.1	0	0	0	0	113.7	S154 Q157 R158 V161 L307 L308 K309 P313	S154-V311 PolarHBondContact OG-O 3.1Å; Q157-V311 HydrophobicContact CB-CG1 4.24Å; Q157-V311 HydrophobicContact CG-CB 4.3Å; Q157-V311 HydrophobicContact CG-CG1 3.61Å; R158-V311 HydrophobicContact CB-CG2 3.87Å; R158-V311 HydrophobicContact CG-CG2 4.18Å; V161-V311 HydrophobicContact CG2-CG2 4.31Å; L307-V311 HydrophobicContact CD1-CG1 4.13Å; L307-V311 WeakPolarHBondContact O-CG1 3.41Å; L307-V311 WeakPolarHBondContact O-CG2 3.26Å; L307-V311 PolarHBondContact O-N 2.75Å; L307-V311 VanDerWaalsContact O-N 3.13Å; L308-V311 PolarHBondContact O-N 2.81Å; K309-V311 VanDerWaalsContact C-N 3.32Å; K309-V311 PolarHBondContact O-N 3Å; V311-P313 WeakPolarHBondContact O-CD 3.46Å
312	T	93.7	Very high	94.4	Very high	10 Å²	10	52.1 Å²	52.1	6%	0.061	28%	0.276	C	S	.	.	S	Bend	trans	-93.1	117.3	177.1	-63.2	0	0	0	0	109.8	R158 L308 H316 C319 T322	R158-T312 PolarHBondContact NE-OG1 3.16Å; L308-T312 VanDerWaalsContact O-CB 3.28Å; L308-T312 WeakPolarHBondContact O-CB 3.17Å; L308-T312 PolarHBondContact O-N 3.36Å; L308-T312 VanDerWaalsContact O-N 3.09Å; L308-T312 PolarHBondContact O-OG1 2.86Å; T312-H316 HydrophobicContact CG2-CB 3.7Å; T312-C319 HydrophobicContact CG2-CB 4.03Å; T312-T322 HydrophobicContact CG2-CG2 4.31Å
313	P	91.2	Very high	94.3	Very high	44 Å²	44	52.1 Å²	52.1	29%	0.286	28%	0.28	S	S	.	.			trans	-59.5	147.2	177.4	-26.4	36.4	0	0	0	112.8	V311 N315 H316 C319	V311-P313 WeakPolarHBondContact O-CD 3.46Å; P313-N315 WeakPolarHBondContact CB-OD1 3.34Å; P313-N315 PolarHBondContact O-N 3.39Å; P313-H316 HydrophobicContact CB-CB 4.35Å; P313-H316 WeakPolarHBondContact O-CB 3.5Å; P313-H316 PolarHBondContact O-N 3.25Å; P313-C319 WeakPolarHBondContact O-CB 3.34Å
314	I	88.8	Confident	94.1	Very high	164 Å²	164	50.9 Å²	50.9	84%	0.841	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-32.5	-179.5	-65.6	160.7	0	0	0	112.2	H316	I314-H316 VanDerWaalsContact C-N 3.29Å; I314-H316 PolarHBondContact O-N 3.44Å
315	N	89.2	Confident	94.1	Very high	145 Å²	145	49.8 Å²	49.8	78%	0.775	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-2.7	177.1	63.3	-19.9	0	0	0	113.9	P313	P313-N315 WeakPolarHBondContact CB-OD1 3.34Å; P313-N315 PolarHBondContact O-N 3.39Å
316	H	92.6	Very high	94	Very high	21 Å²	21	51 Å²	51	10%	0.097	27%	0.274	C	S	.	.	S	Bend	trans	-76.7	135.3	177.4	-170.2	-82.4	0	0	0	110.2	G229 N230 T312 P313 I314 D318 C319	G229-H316 PolarHBondContact O-NE2 3.44Å; N230-H316 PolarHBondContact O-NE2 3.3Å; T312-H316 HydrophobicContact CG2-CB 3.7Å; P313-H316 HydrophobicContact CB-CB 4.35Å; P313-H316 WeakPolarHBondContact O-CB 3.5Å; P313-H316 PolarHBondContact O-N 3.25Å; I314-H316 VanDerWaalsContact C-N 3.29Å; I314-H316 PolarHBondContact O-N 3.44Å; H316-D318 VanDerWaalsContact CE1-CB 3.41Å; H316-D318 WeakPolarHBondContact CE1-CB 3.4Å; H316-D318 WeakPolarHBondContact ND1-CB 3.38Å; H316-D318 PolarHBondContact ND1-N 3.43Å; H316-D318 PolarHBondContact O-N 3.14Å; H316-D318 VanDerWaalsContact O-N 3.09Å; H316-C319 WeakPolarHBondContact O-CB 3.4Å; H316-C319 PolarHBondContact O-N 3.25Å
317	P	93.2	Very high	93.8	Very high	100 Å²	100	51.2 Å²	51.2	65%	0.649	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.6	-177.3	21.5	-33.7	0	0	0	113.8	C319	P317-C319 VanDerWaalsContact C-N 3.34Å
318	D	96.2	Very high	93.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.2	178.6	-148.2	31.7	0	0	0	114.2	R158 C232 I233 A234 T235 H316 L320 A321 T322	R158-D318 IonicContact NH2-OD2 2.75Å; R158-D318 PolarHBondContact NH2-OD2 2.9Å; C232-D318 HydrophobicContact CB-CB 4.37Å; I233-D318 PolarHBondContact N-OD2 3.32Å; A234-D318 WeakPolarHBondContact CB-OD1 3.3Å; A234-D318 WeakPolarHBondContact CB-OD2 3.41Å; A234-D318 PolarHBondContact N-OD1 2.97Å; A234-D318 PolarHBondContact N-OD2 2.96Å; T235-D318 WeakPolarHBondContact CB-OD1 3.23Å; T235-D318 PolarHBondContact N-OD1 2.96Å; T235-D318 PolarHBondContact OG1-OD1 3.06Å; H316-D318 VanDerWaalsContact CE1-CB 3.41Å; H316-D318 WeakPolarHBondContact CE1-CB 3.4Å; H316-D318 WeakPolarHBondContact ND1-CB 3.38Å; H316-D318 PolarHBondContact ND1-N 3.43Å; H316-D318 PolarHBondContact O-N 3.14Å; H316-D318 VanDerWaalsContact O-N 3.09Å; D318-L320 PolarHBondContact O-N 3.21Å; D318-A321 PolarHBondContact O-N 2.78Å; D318-A321 VanDerWaalsContact O-N 3.15Å; D318-T322 WeakPolarHBondContact O-CG2 3.47Å; D318-T322 PolarHBondContact O-N 2.9Å
319	C	93.2	Very high	93.8	Very high	26 Å²	26	48.2 Å²	48.2	18%	0.176	26%	0.262	C	S	.	.	H	α-helix	trans	-55.8	-49.1	-171.6	-178	0	0	0	0	112.8	T312 P313 H316 P317 A321 T322 T323	T312-C319 HydrophobicContact CG2-CB 4.03Å; P313-C319 WeakPolarHBondContact O-CB 3.34Å; H316-C319 WeakPolarHBondContact O-CB 3.4Å; H316-C319 PolarHBondContact O-N 3.25Å; P317-C319 VanDerWaalsContact C-N 3.34Å; C319-A321 VanDerWaalsContact C-N 3.35Å; C319-A321 PolarHBondContact O-N 2.95Å; C319-T322 PolarHBondContact O-N 3.2Å; C319-T322 PolarHBondContact O-OG1 3.13Å; C319-T323 PolarHBondContact O-N 2.7Å; C319-T323 PolarHBondContact O-OG1 3.45Å
320	L	92.5	Very high	93.7	Very high	76 Å²	76	48.7 Å²	48.7	40%	0.398	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-45.8	178.2	179.7	62	0	0	0	111.5	D318 T322 T323 Q324 D446	D318-L320 PolarHBondContact O-N 3.21Å; L320-T322 PolarHBondContact O-N 2.83Å; L320-T323 PolarHBondContact O-N 2.97Å; L320-Q324 HydrophobicContact CD1-CG 4.46Å; L320-Q324 WeakPolarHBondContact O-CG 3.28Å; L320-Q324 PolarHBondContact O-N 3.42Å; L320-D446 HydrophobicContact CD1-CB 4.36Å; L320-D446 HydrophobicContact CD2-CB 4.34Å
321	A	94.6	Very high	93.5	Very high	6 Å²	6	48 Å²	48	5%	0.05	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-36.4	-179.1	0	0	0	0	0	112.4	A234 T235 D318 C319 T323 Q324 M325	A234-A321 HydrophobicContact CB-CB 3.84Å; T235-A321 WeakPolarHBondContact OG1-CB 3.41Å; D318-A321 PolarHBondContact O-N 2.78Å; D318-A321 VanDerWaalsContact O-N 3.15Å; C319-A321 VanDerWaalsContact C-N 3.35Å; C319-A321 PolarHBondContact O-N 2.95Å; A321-T323 VanDerWaalsContact C-N 3.33Å; A321-T323 PolarHBondContact O-N 3.27Å; A321-Q324 PolarHBondContact O-N 3.02Å; A321-M325 WeakPolarHBondContact O-CB 3.41Å; A321-M325 WeakPolarHBondContact O-CG 3.35Å; A321-M325 PolarHBondContact O-N 2.89Å
322	T	96	Very high	93.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-42.2	175.7	63.2	0	0	0	0	112	A234 L308 T312 D318 C319 L320 M325 F326	A234-T322 HydrophobicContact CB-CG2 3.6Å; L308-T322 HydrophobicContact CD2-CG2 3.82Å; L308-T322 HydrophobicContact CG-CG2 3.73Å; T312-T322 HydrophobicContact CG2-CG2 4.31Å; D318-T322 WeakPolarHBondContact O-CG2 3.47Å; D318-T322 PolarHBondContact O-N 2.9Å; C319-T322 PolarHBondContact O-N 3.2Å; C319-T322 PolarHBondContact O-OG1 3.13Å; L320-T322 PolarHBondContact O-N 2.83Å; T322-M325 PolarHBondContact O-N 3.11Å; T322-F326 WeakPolarHBondContact O-CB 3.45Å; T322-F326 PolarHBondContact O-N 3.09Å
323	T	92.5	Very high	93.3	Very high	50 Å²	50	48.3 Å²	48.3	31%	0.307	27%	0.265	S	S	.	.	H	α-helix	trans	-67.9	-44.4	177.9	-59.5	0	0	0	0	111.2	K309 C319 L320 A321 M325 F326 N327	K309-T323 HydrophobicContact CD-CG2 4.48Å; C319-T323 PolarHBondContact O-N 2.7Å; C319-T323 PolarHBondContact O-OG1 3.45Å; L320-T323 PolarHBondContact O-N 2.97Å; A321-T323 VanDerWaalsContact C-N 3.33Å; A321-T323 PolarHBondContact O-N 3.27Å; T323-M325 VanDerWaalsContact C-N 3.34Å; T323-M325 PolarHBondContact O-N 3.41Å; T323-F326 PolarHBondContact O-N 3.34Å; T323-N327 VanDerWaalsContact O-CG 3.31Å; T323-N327 PolarHBondContact O-N 3.08Å; T323-N327 PolarHBondContact O-ND2 2.9Å
324	Q	93.6	Very high	93.2	Very high	71 Å²	71	52.2 Å²	52.2	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-59.4	-43.8	176.5	-73.7	178	-12.8	0	0	112	N238 L320 A321 N328	N238-Q324 PolarHBondContact ND2-OE1 3.1Å; L320-Q324 HydrophobicContact CD1-CG 4.46Å; L320-Q324 WeakPolarHBondContact O-CG 3.28Å; L320-Q324 PolarHBondContact O-N 3.42Å; A321-Q324 PolarHBondContact O-N 3.02Å; Q324-N328 WeakPolarHBondContact O-CB 3.2Å; Q324-N328 PolarHBondContact O-N 3.35Å
325	M	97	Very high	93	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-71.9	-37.8	-179.2	-74.4	-53.6	-52	0	0	113.2	I237 N238 R241 M244 F305 A321 T322 T323 N328 F329	I237-M325 HydrophobicContact CG2-CE 3.72Å; I237-M325 HydrophobicContact CG2-SD 4.42Å; N238-M325 VanDerWaalsContact CA-SD 3.56Å; N238-M325 HydrophobicContact CB-CG 4.05Å; N238-M325 HydrophobicContact CB-SD 3.81Å; N238-M325 PolarHBondContact OD1-SD 3.34Å; N238-M325 VanDerWaalsContact OD1-SD 3.4Å; R241-M325 HydrophobicContact CB-SD 4.45Å; M244-M325 HydrophobicContact CE-CE 3.68Å; F305-M325 HydrophobicContact CD1-CB 3.33Å; F305-M325 HydrophobicContact CD1-CG 4.3Å; F305-M325 HydrophobicContact CE1-CB 3.26Å; F305-M325 HydrophobicContact CE1-CG 3.73Å; F305-M325 HydrophobicContact CE2-CB 4.49Å; F305-M325 HydrophobicContact CG-CB 3.98Å; F305-M325 HydrophobicContact CZ-CB 3.87Å; F305-M325 HydrophobicContact CZ-CE 4.5Å; F305-M325 HydrophobicContact CZ-CG 4.1Å; A321-M325 WeakPolarHBondContact O-CB 3.41Å; A321-M325 WeakPolarHBondContact O-CG 3.35Å; A321-M325 PolarHBondContact O-N 2.89Å; T322-M325 PolarHBondContact O-N 3.11Å; T323-M325 VanDerWaalsContact C-N 3.34Å; T323-M325 PolarHBondContact O-N 3.41Å; M325-N328 WeakPolarHBondContact O-CB 3.47Å; M325-N328 PolarHBondContact O-N 2.99Å; M325-F329 HydrophobicContact CE-CD2 4.02Å; M325-F329 HydrophobicContact CE-CE1 4.33Å; M325-F329 HydrophobicContact CE-CE2 3.24Å; M325-F329 HydrophobicContact CE-CZ 3.47Å; M325-F329 VanDerWaalsContact CE-CZ 3.47Å; M325-F329 WeakPolarHBondContact O-CD2 3.23Å; M325-F329 PolarHBondContact O-N 3.11Å
326	F	96.9	Very high	93	Very high	27 Å²	27	39.7 Å²	39.7	12%	0.118	21%	0.21	C	C	.	.	H	α-helix	trans	-58.2	-53.7	171.3	168	-106.9	0	0	0	111.2	K302 F305 E306 K309 T322 T323 N328 F329 D330	K302-F326 HydrophobicContact CG-CE2 4.35Å; F305-F326 HydrophobicContact CB-CB 4.16Å; E306-F326 HydrophobicContact CB-CD2 3.62Å; E306-F326 HydrophobicContact CB-CE2 3.54Å; E306-F326 HydrophobicContact CG-CD2 4.14Å; E306-F326 HydrophobicContact CG-CE2 3.63Å; E306-F326 HydrophobicContact CG-CZ 4.21Å; K309-F326 HydrophobicContact CD-CB 4.28Å; K309-F326 HydrophobicContact CD-CD1 3.92Å; K309-F326 HydrophobicContact CD-CG 4.22Å; T322-F326 WeakPolarHBondContact O-CB 3.45Å; T322-F326 PolarHBondContact O-N 3.09Å; T323-F326 PolarHBondContact O-N 3.34Å; F326-N328 PolarHBondContact O-N 3.46Å; F326-F329 PolarHBondContact O-N 2.93Å; F326-D330 WeakPolarHBondContact O-CB 3.37Å; F326-D330 PolarHBondContact O-N 3.38Å
327	N	92.7	Very high	92.6	Very high	86 Å²	86	43.2 Å²	43.2	46%	0.46	23%	0.229	S	C	.	.	H	α-helix	trans	-59.5	-38.1	178.8	-69.2	-20.5	0	0	0	111.5	T323 D330 Q331	T323-N327 VanDerWaalsContact O-CG 3.31Å; T323-N327 PolarHBondContact O-N 3.08Å; T323-N327 PolarHBondContact O-ND2 2.9Å; N327-D330 PolarHBondContact O-N 3.4Å; N327-Q331 WeakPolarHBondContact O-CB 3.16Å; N327-Q331 PolarHBondContact O-N 3.19Å
328	N	96.4	Very high	92	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-49.7	176.1	177.8	76.1	0	0	0	112.4	R241 N245 Q324 M325 F326 Q331 L332	R241-N328 WeakPolarHBondContact CD-OD1 3.47Å; R241-N328 WeakPolarHBondContact CG-OD1 3.31Å; R241-N328 PolarHBondContact NE-OD1 3.32Å; N245-N328 PolarHBondContact ND2-ND2 3.15Å; N245-N328 PolarHBondContact ND2-OD1 3.27Å; N245-N328 PolarHBondContact OD1-ND2 2.91Å; Q324-N328 WeakPolarHBondContact O-CB 3.2Å; Q324-N328 PolarHBondContact O-N 3.35Å; M325-N328 WeakPolarHBondContact O-CB 3.47Å; M325-N328 PolarHBondContact O-N 2.99Å; F326-N328 PolarHBondContact O-N 3.46Å; N328-Q331 PolarHBondContact O-N 3.45Å; N328-L332 VanDerWaalsContact O-CB 3.27Å; N328-L332 WeakPolarHBondContact O-CB 3.17Å; N328-L332 PolarHBondContact O-N 3.35Å
329	F	96.9	Very high	91.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-72.5	-30.9	179.5	-69.2	-57.4	0	0	0	113.1	M244 L298 L301 K302 F305 M325 F326 L332 A333	M244-F329 HydrophobicContact CE-CE1 3.61Å; M244-F329 HydrophobicContact CE-CE2 4.36Å; M244-F329 HydrophobicContact CE-CZ 3.27Å; M244-F329 HydrophobicContact SD-CE1 4.01Å; M244-F329 HydrophobicContact SD-CZ 3.8Å; L298-F329 HydrophobicContact CD1-CD1 3.85Å; L301-F329 HydrophobicContact CB-CD1 4.14Å; L301-F329 HydrophobicContact CB-CD2 4.01Å; L301-F329 HydrophobicContact CB-CE1 3.98Å; L301-F329 HydrophobicContact CB-CE2 3.85Å; L301-F329 HydrophobicContact CB-CG 4.14Å; L301-F329 HydrophobicContact CB-CZ 3.8Å; L301-F329 HydrophobicContact CD1-CE1 3.73Å; L301-F329 HydrophobicContact CD1-CZ 3.73Å; L301-F329 HydrophobicContact CD2-CZ 4.27Å; L301-F329 HydrophobicContact CG-CE1 4.42Å; L301-F329 HydrophobicContact CG-CZ 4.15Å; K302-F329 HydrophobicContact CB-CB 3.98Å; F305-F329 HydrophobicContact CB-CD2 4.49Å; F305-F329 AromaticContact CD2-CD2 3.77Å; F305-F329 HydrophobicContact CD2-CD2 3.77Å; F305-F329 AromaticContact CD2-CE2 3.45Å; F305-F329 HydrophobicContact CD2-CE2 3.45Å; F305-F329 VanDerWaalsContact CD2-CE2 3.45Å; F305-F329 HydrophobicContact CE2-CD2 4.28Å; F305-F329 AromaticContact CE2-CE2 3.5Å; F305-F329 HydrophobicContact CE2-CE2 3.5Å; F305-F329 VanDerWaalsContact CE2-CE2 3.5Å; F305-F329 HydrophobicContact CE2-CZ 4.38Å; F305-F329 HydrophobicContact CG-CD2 4.24Å; F305-F329 HydrophobicContact CG-CE2 4.23Å; F305-F329 HydrophobicContact CZ-CE2 4.3Å; M325-F329 HydrophobicContact CE-CD2 4.02Å; M325-F329 HydrophobicContact CE-CE1 4.33Å; M325-F329 HydrophobicContact CE-CE2 3.24Å; M325-F329 HydrophobicContact CE-CZ 3.47Å; M325-F329 VanDerWaalsContact CE-CZ 3.47Å; M325-F329 WeakPolarHBondContact O-CD2 3.23Å; M325-F329 PolarHBondContact O-N 3.11Å; F326-F329 PolarHBondContact O-N 2.93Å; F329-L332 HydrophobicContact CD1-CD2 4.45Å; F329-A333 VanDerWaalsContact O-CB 3.27Å; F329-A333 WeakPolarHBondContact O-CB 3.43Å; F329-A333 PolarHBondContact O-N 3.37Å
330	D	93.5	Very high	90.6	Very high	65 Å²	65	44 Å²	44	35%	0.348	23%	0.225	S	C	.	.	H	α-helix	trans	-62.7	-48.9	172.3	-168.7	47	0	0	0	111.2	K302 F326 N327 A333 Y334	K302-D330 HydrophobicContact CD-CB 4.48Å; K302-D330 WeakPolarHBondContact CE-OD1 3.5Å; K302-D330 IonicContact NZ-OD1 2.81Å; K302-D330 PolarHBondContact NZ-OD1 3.48Å; F326-D330 WeakPolarHBondContact O-CB 3.37Å; F326-D330 PolarHBondContact O-N 3.38Å; N327-D330 PolarHBondContact O-N 3.4Å; D330-A333 PolarHBondContact O-N 2.96Å; D330-Y334 PolarHBondContact O-N 3.42Å
331	Q	88.6	Confident	90	Very high	90 Å²	90	47.4 Å²	47.4	42%	0.421	23%	0.232	S	C	.	.	H	α-helix	trans	-64	-42.7	176.3	-172.4	59.9	50.1	0	0	112	N327 N328 A333 Y334 D335	N327-Q331 WeakPolarHBondContact O-CB 3.16Å; N327-Q331 PolarHBondContact O-N 3.19Å; N328-Q331 PolarHBondContact O-N 3.45Å; Q331-A333 VanDerWaalsContact C-N 3.35Å; Q331-A333 PolarHBondContact O-N 3.41Å; Q331-Y334 WeakPolarHBondContact O-CB 3.19Å; Q331-Y334 PolarHBondContact O-N 3.06Å; Q331-D335 PolarHBondContact NE2-OD1 3.4Å; Q331-D335 WeakPolarHBondContact O-CB 3.38Å; Q331-D335 PolarHBondContact O-N 2.97Å
332	L	93.9	Very high	88.5	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-41.9	178.2	-176.1	60.5	0	0	0	112	N245 L248 K249 L298 N328 F329 D335 V336	N245-L332 HydrophobicContact CB-CD1 4.34Å; N245-L332 HydrophobicContact CB-CD2 4.11Å; N245-L332 WeakPolarHBondContact OD1-CD2 3.17Å; L248-L332 HydrophobicContact CB-CD2 4.48Å; K249-L332 HydrophobicContact CB-CD1 4.08Å; K249-L332 HydrophobicContact CD-CD1 4.2Å; L298-L332 HydrophobicContact CD1-CB 4.25Å; L298-L332 HydrophobicContact CD1-CD2 3.64Å; L298-L332 HydrophobicContact CD1-CG 3.95Å; L298-L332 HydrophobicContact CD2-CG 4.25Å; N328-L332 VanDerWaalsContact O-CB 3.27Å; N328-L332 WeakPolarHBondContact O-CB 3.17Å; N328-L332 PolarHBondContact O-N 3.35Å; F329-L332 HydrophobicContact CD1-CD2 4.45Å; L332-D335 PolarHBondContact O-N 2.81Å; L332-V336 HydrophobicContact CD1-CG2 4.24Å; L332-V336 WeakPolarHBondContact O-CB 3.46Å; L332-V336 VanDerWaalsContact O-CG2 3.29Å; L332-V336 WeakPolarHBondContact O-CG2 3.48Å; L332-V336 PolarHBondContact O-N 3.4Å
333	A	90.8	Very high	87.6	Confident	27 Å²	27	57.6 Å²	57.6	22%	0.223	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-42.6	175.9	0	0	0	0	0	111.5	L298 F329 D330 Q331 N337	L298-A333 HydrophobicContact CD2-CB 4.33Å; L298-A333 HydrophobicContact CG-CB 4.44Å; F329-A333 VanDerWaalsContact O-CB 3.27Å; F329-A333 WeakPolarHBondContact O-CB 3.43Å; F329-A333 PolarHBondContact O-N 3.37Å; D330-A333 PolarHBondContact O-N 2.96Å; Q331-A333 VanDerWaalsContact C-N 3.35Å; Q331-A333 PolarHBondContact O-N 3.41Å; A333-N337 VanDerWaalsContact O-CB 3.26Å; A333-N337 WeakPolarHBondContact O-CB 3.31Å; A333-N337 PolarHBondContact O-N 3.03Å; A333-N337 VanDerWaalsContact O-N 3.12Å
334	Y	87.5	Confident	86.8	Confident	126 Å²	126	61.5 Å²	61.5	49%	0.494	29%	0.287	S	S	.	.	H	α-helix	trans	-60.5	-50.1	174.1	177.1	-91.9	0	0	0	111.9	D330 Q331 V336 N337 E338	D330-Y334 PolarHBondContact O-N 3.42Å; Q331-Y334 WeakPolarHBondContact O-CB 3.19Å; Q331-Y334 PolarHBondContact O-N 3.06Å; Y334-V336 PolarHBondContact O-N 3.13Å; Y334-N337 PolarHBondContact O-N 3.38Å; Y334-E338 HydrophobicContact CD1-CG 4.28Å; Y334-E338 HydrophobicContact CE1-CG 3.77Å; Y334-E338 HydrophobicContact CE2-CG 4.17Å; Y334-E338 PolarHBondContact O-N 3.02Å
335	D	85.1	Confident	85.4	Confident	39 Å²	39	61 Å²	61	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-59	-47.9	-178.7	-81.3	8.2	0	0	0	112.8	K249 Q331 L332 N337 E338 V339	K249-D335 IonicContact NZ-OD2 3.86Å; Q331-D335 PolarHBondContact NE2-OD1 3.4Å; Q331-D335 WeakPolarHBondContact O-CB 3.38Å; Q331-D335 PolarHBondContact O-N 2.97Å; L332-D335 PolarHBondContact O-N 2.81Å; D335-N337 VanDerWaalsContact C-N 3.31Å; D335-N337 PolarHBondContact O-N 2.95Å; D335-E338 PolarHBondContact O-N 2.85Å; D335-V339 WeakPolarHBondContact O-CG2 3.29Å; D335-V339 PolarHBondContact O-N 2.62Å
336	V	89.5	Confident	83.8	Confident	8 Å²	8	64.8 Å²	64.8	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-41.4	-179.9	168.8	0	0	0	0	110.5	K249 I252 L253 L298 L332 Y334 V339 K340	K249-V336 HydrophobicContact CB-CG2 4.24Å; K249-V336 HydrophobicContact CG-CG2 3.99Å; I252-V336 HydrophobicContact CB-CG1 3.95Å; I252-V336 HydrophobicContact CG2-CG1 3.34Å; L253-V336 HydrophobicContact CD2-CG1 4.19Å; L298-V336 HydrophobicContact CD2-CG2 4.46Å; L332-V336 HydrophobicContact CD1-CG2 4.24Å; L332-V336 WeakPolarHBondContact O-CB 3.46Å; L332-V336 VanDerWaalsContact O-CG2 3.29Å; L332-V336 WeakPolarHBondContact O-CG2 3.48Å; L332-V336 PolarHBondContact O-N 3.4Å; Y334-V336 PolarHBondContact O-N 3.13Å; V336-V339 PolarHBondContact O-N 3.01Å; V336-K340 PolarHBondContact O-N 2.85Å
337	N	84.6	Confident	82.6	Confident	94 Å²	94	66.2 Å²	66.2	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-43.6	177.5	-174.2	67.1	0	0	0	111.9	A333 Y334 D335 K340 R341	A333-N337 VanDerWaalsContact O-CB 3.26Å; A333-N337 WeakPolarHBondContact O-CB 3.31Å; A333-N337 PolarHBondContact O-N 3.03Å; A333-N337 VanDerWaalsContact O-N 3.12Å; Y334-N337 PolarHBondContact O-N 3.38Å; D335-N337 VanDerWaalsContact C-N 3.31Å; D335-N337 PolarHBondContact O-N 2.95Å; N337-K340 PolarHBondContact O-N 2.89Å; N337-R341 WeakPolarHBondContact O-CB 3.3Å; N337-R341 PolarHBondContact O-N 3.49Å
338	E	79.3	Confident	81.4	Confident	38 Å²	38	65.3 Å²	65.3	18%	0.178	33%	0.329	C	S	.	.	H	α-helix	trans	-63.3	-44.6	176.6	-76.6	-67.3	102.2	0	0	111.8	Y334 D335 K340 R341 W342	Y334-E338 HydrophobicContact CD1-CG 4.28Å; Y334-E338 HydrophobicContact CE1-CG 3.77Å; Y334-E338 HydrophobicContact CE2-CG 4.17Å; Y334-E338 PolarHBondContact O-N 3.02Å; D335-E338 PolarHBondContact O-N 2.85Å; E338-K340 PolarHBondContact O-N 3.47Å; E338-R341 WeakPolarHBondContact O-CB 3.48Å; E338-R341 PolarHBondContact O-N 3.2Å; E338-W342 PolarHBondContact O-N 2.81Å
339	V	78.3	Confident	79.3	Confident	51 Å²	51	68.5 Å²	68.5	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-65.8	-39.3	178.7	176.9	0	0	0	0	111.5	L253 D335 V336 W342 K343	L253-V339 HydrophobicContact CD1-CB 4.35Å; L253-V339 HydrophobicContact CD1-CG1 3.88Å; L253-V339 HydrophobicContact CD2-CB 3.71Å; L253-V339 HydrophobicContact CD2-CG1 3.58Å; L253-V339 HydrophobicContact CG-CG1 4.36Å; D335-V339 WeakPolarHBondContact O-CG2 3.29Å; D335-V339 PolarHBondContact O-N 2.62Å; V336-V339 PolarHBondContact O-N 3.01Å; V339-W342 PolarHBondContact O-N 2.86Å; V339-K343 PolarHBondContact O-N 3.09Å
340	K	82.1	Confident	77.2	Confident	54 Å²	54	71.2 Å²	71.2	24%	0.235	37%	0.367	C	S	.	.	H	α-helix	trans	-60.6	-48.1	173.8	-82.9	-168.9	170.6	-177.4	0	111.7	I252 L253 V336 N337 E338 W342 K343 E344	I252-K340 WeakPolarHBondContact O-CE 3.36Å; I252-K340 PolarHBondContact O-NZ 3.41Å; I252-K340 VanDerWaalsContact O-NZ 3.11Å; L253-K340 HydrophobicContact CD2-CG 4.06Å; V336-K340 PolarHBondContact O-N 2.85Å; N337-K340 PolarHBondContact O-N 2.89Å; E338-K340 PolarHBondContact O-N 3.47Å; K340-W342 PolarHBondContact O-N 3.25Å; K340-K343 WeakPolarHBondContact O-CB 3.31Å; K340-K343 PolarHBondContact O-N 2.73Å; K340-K343 VanDerWaalsContact O-N 3.07Å; K340-E344 WeakPolarHBondContact O-CG 3.5Å; K340-E344 PolarHBondContact O-N 3.25Å
341	R	80.5	Confident	75.5	Confident	147 Å²	147	71.8 Å²	71.8	56%	0.555	37%	0.368	S	S	*	.	H	α-helix	trans	-54.7	-42.8	175.1	-178.8	-177.2	177.5	144.3	6.7	111.5	N337 E338 E344 I345	N337-R341 WeakPolarHBondContact O-CB 3.3Å; N337-R341 PolarHBondContact O-N 3.49Å; E338-R341 WeakPolarHBondContact O-CB 3.48Å; E338-R341 PolarHBondContact O-N 3.2Å; R341-E344 PolarHBondContact O-N 2.93Å; R341-I345 HydrophobicContact CG-CD1 4.05Å; R341-I345 VanDerWaalsContact O-CG1 3.24Å; R341-I345 WeakPolarHBondContact O-CG1 3.02Å; R341-I345 PolarHBondContact O-N 3.26Å
342	W	62.7	Low	73.7	Confident	122 Å²	122	70.8 Å²	70.8	46%	0.462	36%	0.363	S	S	.	.	H	α-helix	trans	-67	-41.4	175.8	-78.9	112.8	0	0	0	113.2	E338 V339 K340 E344 I345 C346	E338-W342 PolarHBondContact O-N 2.81Å; V339-W342 PolarHBondContact O-N 2.86Å; K340-W342 PolarHBondContact O-N 3.25Å; W342-E344 VanDerWaalsContact C-N 3.32Å; W342-E344 PolarHBondContact O-N 2.98Å; W342-I345 HydrophobicContact CE3-CD1 4.29Å; W342-I345 HydrophobicContact CZ3-CD1 4.5Å; W342-I345 PolarHBondContact O-N 2.9Å; W342-C346 WeakPolarHBondContact O-CB 3.41Å; W342-C346 PolarHBondContact O-N 2.83Å; W342-C346 PolarHBondContact O-SG 3.09Å
343	K	76.5	Confident	71.5	Confident	98 Å²	98	74.4 Å²	74.4	43%	0.426	39%	0.386	S	S	.	.	H	α-helix	trans	-60.1	-42.3	174.5	-75.8	-172.4	177.8	-169.7	0	111.5	L253 V339 K340 C346 A347	L253-K343 PolarHBondContact O-NZ 3.07Å; V339-K343 PolarHBondContact O-N 3.09Å; K340-K343 WeakPolarHBondContact O-CB 3.31Å; K340-K343 PolarHBondContact O-N 2.73Å; K340-K343 VanDerWaalsContact O-N 3.07Å; K343-C346 PolarHBondContact O-N 3.31Å; K343-A347 VanDerWaalsContact O-CB 3.23Å; K343-A347 WeakPolarHBondContact O-CB 3.45Å; K343-A347 PolarHBondContact O-N 3.43Å
344	E	77.3	Confident	69.6	Low	132 Å²	132	78.3 Å²	78.3	62%	0.617	40%	0.395	S	S	*	.	H	α-helix	trans	-64.1	-44.1	176	-72.2	169.4	-171.1	0	0	111.8	K340 R341 W342 A347 S348	K340-E344 WeakPolarHBondContact O-CG 3.5Å; K340-E344 PolarHBondContact O-N 3.25Å; R341-E344 PolarHBondContact O-N 2.93Å; W342-E344 VanDerWaalsContact C-N 3.32Å; W342-E344 PolarHBondContact O-N 2.98Å; E344-A347 PolarHBondContact O-N 3.39Å; E344-S348 WeakPolarHBondContact O-CB 3.39Å; E344-S348 PolarHBondContact O-N 3.44Å; E344-S348 PolarHBondContact O-OG 2.98Å
345	I	64	Low	67.8	Low	61 Å²	61	77.1 Å²	77.1	31%	0.313	39%	0.392	S	S	.	.	H	α-helix	trans	-60.5	-49.2	174.5	-69	165.1	0	0	0	110	R341 W342 A347 S348 V349	R341-I345 HydrophobicContact CG-CD1 4.05Å; R341-I345 VanDerWaalsContact O-CG1 3.24Å; R341-I345 WeakPolarHBondContact O-CG1 3.02Å; R341-I345 PolarHBondContact O-N 3.26Å; W342-I345 HydrophobicContact CE3-CD1 4.29Å; W342-I345 HydrophobicContact CZ3-CD1 4.5Å; W342-I345 PolarHBondContact O-N 2.9Å; I345-A347 PolarHBondContact O-N 3.21Å; I345-S348 PolarHBondContact O-N 2.97Å; I345-S348 PolarHBondContact O-OG 3.08Å; I345-V349 HydrophobicContact CG2-CG2 4.49Å; I345-V349 WeakPolarHBondContact O-CG2 3.41Å; I345-V349 PolarHBondContact O-N 3.22Å
346	C	62.9	Low	65.9	Low	80 Å²	80	77.1 Å²	77.1	54%	0.541	39%	0.389	S	S	.	.	H	α-helix	trans	-62.1	-41.7	178.3	-71.2	0	0	0	0	112.5	W342 K343 S348 V349 S350	W342-C346 WeakPolarHBondContact O-CB 3.41Å; W342-C346 PolarHBondContact O-N 2.83Å; W342-C346 PolarHBondContact O-SG 3.09Å; K343-C346 PolarHBondContact O-N 3.31Å; C346-S348 VanDerWaalsContact C-N 3.35Å; C346-V349 PolarHBondContact O-N 2.9Å; C346-S350 VanDerWaalsContact O-CB 3.27Å; C346-S350 WeakPolarHBondContact O-CB 3.46Å; C346-S350 PolarHBondContact O-N 2.85Å
347	A	71.4	Confident	63.9	Low	57 Å²	57	79.9 Å²	79.9	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-63.9	-41.3	175.3	0	0	0	0	0	110.9	K343 E344 I345 S350 E351	K343-A347 VanDerWaalsContact O-CB 3.23Å; K343-A347 WeakPolarHBondContact O-CB 3.45Å; K343-A347 PolarHBondContact O-N 3.43Å; E344-A347 PolarHBondContact O-N 3.39Å; I345-A347 PolarHBondContact O-N 3.21Å; A347-S350 PolarHBondContact O-N 3.35Å; A347-E351 WeakPolarHBondContact O-CB 3.39Å; A347-E351 PolarHBondContact O-N 3.08Å
348	S	68.1	Low	61.5	Low	67 Å²	67	79.9 Å²	79.9	47%	0.469	41%	0.409	S	S	.	.	H	α-helix	trans	-62.8	-44.8	175	75.4	0	0	0	0	111.5	E344 I345 C346 S350 E352	E344-S348 WeakPolarHBondContact O-CB 3.39Å; E344-S348 PolarHBondContact O-N 3.44Å; E344-S348 PolarHBondContact O-OG 2.98Å; I345-S348 PolarHBondContact O-N 2.97Å; I345-S348 PolarHBondContact O-OG 3.08Å; C346-S348 VanDerWaalsContact C-N 3.35Å; S348-S350 PolarHBondContact O-N 3Å; S348-E352 WeakPolarHBondContact O-CB 3.11Å; S348-E352 PolarHBondContact O-N 3.36Å
349	V	51.4	Low	59.6	Low	75 Å²	75	83 Å²	83	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-64.4	-42.2	177	173.1	0	0	0	0	111.1	I345 C346 T353	I345-V349 HydrophobicContact CG2-CG2 4.49Å; I345-V349 WeakPolarHBondContact O-CG2 3.41Å; I345-V349 PolarHBondContact O-N 3.22Å; C346-V349 PolarHBondContact O-N 2.9Å; V349-T353 WeakPolarHBondContact O-CB 3.43Å; V349-T353 PolarHBondContact O-N 3Å; V349-T353 PolarHBondContact O-OG1 2.66Å
350	S	52.2	Low	58	Low	58 Å²	58	88 Å²	88	41%	0.406	44%	0.441	S	S	.	.	H	α-helix	trans	-69.7	-47.3	179	-179.5	0	0	0	0	112.6	C346 A347 S348 E352 T353 R354	C346-S350 VanDerWaalsContact O-CB 3.27Å; C346-S350 WeakPolarHBondContact O-CB 3.46Å; C346-S350 PolarHBondContact O-N 2.85Å; A347-S350 PolarHBondContact O-N 3.35Å; S348-S350 PolarHBondContact O-N 3Å; S350-E352 PolarHBondContact O-N 3.42Å; S350-T353 CarbonylContact O-C 3.5Å; S350-T353 WeakPolarHBondContact O-CB 3.13Å; S350-T353 PolarHBondContact O-N 3.37Å; S350-R354 WeakPolarHBondContact O-CB 3.33Å; S350-R354 PolarHBondContact O-N 2.92Å; S350-R354 PolarHBondContact OG-NH2 3.17Å
351	E	59.3	Low	56.1	Low	76 Å²	76	91.8 Å²	91.8	36%	0.355	46%	0.464	S	S	.	.	H	α-helix	trans	-58.2	-41.5	174.4	-176.7	60.2	-138.1	0	0	110.2	A347 R354 K355	A347-E351 WeakPolarHBondContact O-CB 3.39Å; A347-E351 PolarHBondContact O-N 3.08Å; E351-R354 CarbonylContact O-C 3.48Å; E351-R354 PolarHBondContact O-N 3.26Å; E351-R354 IonicContact OE1-NH1 3.72Å; E351-R354 IonicContact OE2-CZ 2.69Å; E351-R354 IonicContact OE2-NH1 2.66Å; E351-R354 PolarHBondContact OE2-NH1 3.1Å; E351-R354 IonicContact OE2-NH2 3.92Å; E351-K355 HydrophobicContact CG-CD 4.36Å; E351-K355 WeakPolarHBondContact O-CB 3.48Å; E351-K355 WeakPolarHBondContact O-CG 3.32Å; E351-K355 PolarHBondContact O-N 3.49Å
352	E	51.2	Low	54	Low	70 Å²	70	88.4 Å²	88.4	33%	0.327	46%	0.459	S	S	.	.	H	α-helix	trans	-71.6	-34.8	179.3	-160.6	65.2	-159.8	0	0	111.8	S348 S350 Y356 H398	S348-E352 WeakPolarHBondContact O-CB 3.11Å; S348-E352 PolarHBondContact O-N 3.36Å; S350-E352 PolarHBondContact O-N 3.42Å; E352-Y356 PolarHBondContact O-N 2.86Å; E352-Y356 VanDerWaalsContact O-N 3.11Å; E352-H398 WeakPolarHBondContact CG-CD2 3.4Å; E352-H398 WeakPolarHBondContact CG-NE2 3.34Å; E352-H398 IonicContact OE1-CD2 2.7Å; E352-H398 PolarHBondContact OE1-CD2 3.48Å; E352-H398 VanDerWaalsContact OE1-CD2 3.32Å; E352-H398 IonicContact OE1-CG 2.6Å
353	T	47.4	Very low	53.1	Low	82 Å²	82	85.7 Å²	85.7	50%	0.503	45%	0.454	S	S	.	.	H	α-helix	trans	-66.2	-36.4	169.7	-52.8	0	0	0	0	111.7	V349 S350 Y356 S357	V349-T353 WeakPolarHBondContact O-CB 3.43Å; V349-T353 PolarHBondContact O-N 3Å; V349-T353 PolarHBondContact O-OG1 2.66Å; S350-T353 CarbonylContact O-C 3.5Å; S350-T353 WeakPolarHBondContact O-CB 3.13Å; S350-T353 PolarHBondContact O-N 3.37Å; T353-Y356 WeakPolarHBondContact O-CB 3.44Å; T353-Y356 PolarHBondContact O-N 2.86Å; T353-S357 PolarHBondContact O-N 3.34Å
354	R	50	Low	51.3	Low	109 Å²	109	89 Å²	89	41%	0.411	47%	0.468	S	S	.	.	H	α-helix	trans	-78	-38.6	179.2	-161.5	-173.6	-41.3	106.1	12.7	112.1	S350 E351 Y356 S357 L358	S350-R354 WeakPolarHBondContact O-CB 3.33Å; S350-R354 PolarHBondContact O-N 2.92Å; S350-R354 PolarHBondContact OG-NH2 3.17Å; E351-R354 CarbonylContact O-C 3.48Å; E351-R354 PolarHBondContact O-N 3.26Å; E351-R354 IonicContact OE1-NH1 3.72Å; E351-R354 IonicContact OE2-CZ 2.69Å; E351-R354 IonicContact OE2-NH1 2.66Å; E351-R354 PolarHBondContact OE2-NH1 3.1Å; E351-R354 IonicContact OE2-NH2 3.92Å; R354-Y356 PolarHBondContact O-N 3.5Å; R354-S357 CarbonylContact O-C 3.57Å; R354-S357 PolarHBondContact O-N 3.31Å; R354-S357 PolarHBondContact O-OG 3.1Å; R354-L358 WeakPolarHBondContact O-CB 3.27Å; R354-L358 PolarHBondContact O-N 3.15Å
355	K	50.7	Low	49.5	Very low	102 Å²	102	84.8 Å²	84.8	44%	0.443	45%	0.453	S	S	.	.	H	α-helix	trans	-55.2	-39.8	167.6	-78.6	174.5	-176	168.7	0	109.4	E351 S357 L358 F359	E351-K355 HydrophobicContact CG-CD 4.36Å; E351-K355 WeakPolarHBondContact O-CB 3.48Å; E351-K355 WeakPolarHBondContact O-CG 3.32Å; E351-K355 PolarHBondContact O-N 3.49Å; K355-S357 PolarHBondContact O-N 3.04Å; K355-L358 PolarHBondContact O-N 3.48Å; K355-F359 WeakPolarHBondContact O-CB 3.4Å; K355-F359 PolarHBondContact O-N 2.88Å
356	Y	43.6	Very low	48.4	Very low	39 Å²	39	85 Å²	85	15%	0.153	46%	0.458	C	S	.	.	H	α-helix	trans	-58.6	-39.8	172.3	-136.1	-89.4	0	0	0	114.4	E352 T353 R354 A395 H398 I399 V561	E352-Y356 PolarHBondContact O-N 2.86Å; E352-Y356 VanDerWaalsContact O-N 3.11Å; T353-Y356 WeakPolarHBondContact O-CB 3.44Å; T353-Y356 PolarHBondContact O-N 2.86Å; R354-Y356 PolarHBondContact O-N 3.5Å; Y356-A395 HydrophobicContact CE1-CB 3.71Å; Y356-A395 HydrophobicContact CE2-CB 3.65Å; Y356-A395 WeakPolarHBondContact CE2-O 3.44Å; Y356-A395 WeakPolarHBondContact OH-CA 3.25Å; Y356-A395 WeakPolarHBondContact OH-CB 3.5Å; Y356-A395 PolarHBondContact OH-O 3.46Å; Y356-H398 AromaticContact CD2-ND1 3.89Å; Y356-H398 HydrophobicContact CE2-CB 4.11Å; Y356-H398 AromaticContact CE2-ND1 3.77Å; Y356-I399 WeakPolarHBondContact OH-CD1 3.28Å; Y356-I399 WeakPolarHBondContact OH-CG1 3.38Å; Y356-V561 HydrophobicContact CE1-CG1 3.52Å; Y356-V561 WeakPolarHBondContact OH-CG1 3.27Å
357	S	47.7	Very low	47.4	Very low	66 Å²	66	85.8 Å²	85.8	46%	0.462	45%	0.452	S	S	.	.	H	α-helix	trans	-77.9	-33.2	176.1	71.6	0	0	0	0	112.7	T353 R354 K355 Q360	T353-S357 PolarHBondContact O-N 3.34Å; R354-S357 CarbonylContact O-C 3.57Å; R354-S357 PolarHBondContact O-N 3.31Å; R354-S357 PolarHBondContact O-OG 3.1Å; K355-S357 PolarHBondContact O-N 3.04Å; S357-Q360 WeakPolarHBondContact O-CB 3.19Å; S357-Q360 PolarHBondContact O-N 3.2Å
358	L	34.7	Very low	45.9	Very low	94 Å²	94	90.6 Å²	90.6	49%	0.492	46%	0.458	S	S	.	.	H	α-helix	trans	-82.3	-24.8	-180	-134	109.4	0	0	0	113.1	R354 K355 Q360 L361 V362	R354-L358 WeakPolarHBondContact O-CB 3.27Å; R354-L358 PolarHBondContact O-N 3.15Å; K355-L358 PolarHBondContact O-N 3.48Å; L358-Q360 PolarHBondContact O-N 2.84Å; L358-L361 CarbonylContact O-C 3.48Å; L358-L361 WeakPolarHBondContact O-CA 3.44Å; L358-L361 PolarHBondContact O-N 2.91Å; L358-V362 HydrophobicContact CD2-CG2 4.18Å; L358-V362 PolarHBondContact O-N 2.9Å
359	F	40	Very low	44.6	Very low	102 Å²	102	92.5 Å²	92.5	45%	0.447	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.6	170.9	-131.5	-95.9	0	0	0	111.4	K355 L361 T391 E394	K355-F359 WeakPolarHBondContact O-CB 3.4Å; K355-F359 PolarHBondContact O-N 2.88Å; F359-L361 PolarHBondContact O-N 3.37Å; F359-T391 HydrophobicContact CD1-CG2 3.87Å; F359-T391 HydrophobicContact CE1-CG2 4.25Å; F359-E394 WeakPolarHBondContact CE1-OE2 3.34Å; F359-E394 WeakPolarHBondContact CZ-OE2 3.49Å
360	Q	44.1	Very low	44.2	Very low	156 Å²	156	91.2 Å²	91.2	73%	0.729	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.6	165.1	-58.7	-163.3	-3.4	0	0	112.1	S357 L358	S357-Q360 WeakPolarHBondContact O-CB 3.19Å; S357-Q360 PolarHBondContact O-N 3.2Å; L358-Q360 PolarHBondContact O-N 2.84Å
361	L	42.5	Very low	43.6	Very low	135 Å²	135	89.2 Å²	89.2	71%	0.707	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-22.4	-172	-84.4	162.9	0	0	0	117	L358 F359	L358-L361 CarbonylContact O-C 3.48Å; L358-L361 WeakPolarHBondContact O-CA 3.44Å; L358-L361 PolarHBondContact O-N 2.91Å; F359-L361 PolarHBondContact O-N 3.37Å
362	V	35.4	Very low	42.7	Very low	76 Å²	76	91.3 Å²	91.3	46%	0.461	45%	0.45	S	S	.	.			trans	-136.9	125.3	-175.7	-168	0	0	0	0	109.5	L358	L358-V362 HydrophobicContact CD2-CG2 4.18Å; L358-V362 PolarHBondContact O-N 2.9Å
363	D	44.3	Very low	42.3	Very low	65 Å²	65	91.3 Å²	91.3	35%	0.348	46%	0.462	S	S	.	.				-146.1	131.3	51.7	-160.5	-4.2	0	0	0	114.7	S365 T366 K367	D363-S365 VanDerWaalsContact CG-OG 3.26Å; D363-S365 PolarHBondContact O-N 2.81Å; D363-S365 PolarHBondContact OD1-N 3.42Å; D363-S365 PolarHBondContact OD2-OG 3.05Å; D363-T366 PolarHBondContact O-N 3.12Å; D363-K367 WeakPolarHBondContact O-CB 3.45Å; D363-K367 WeakPolarHBondContact O-CG 3.49Å; D363-K367 PolarHBondContact O-N 2.93Å
364	K	40.1	Very low	42.1	Very low	166 Å²	166	88.4 Å²	88.4	72%	0.722	45%	0.446	S	S	*	.	H	α-helix	trans	-58.6	-23.8	171.8	-101.5	176.6	179.1	173.5	0	111.6	R368	K364-R368 WeakPolarHBondContact O-CB 3.36Å; K364-R368 WeakPolarHBondContact O-CG 3.16Å; K364-R368 PolarHBondContact O-N 3.45Å; K364-R368 VanDerWaalsContact O-N 3.08Å; K364-R368 PolarHBondContact O-NE 3.09Å; K364-R368 VanDerWaalsContact O-NE 3.09Å
365	S	38.6	Very low	41.8	Very low	44 Å²	44	90 Å²	90	31%	0.308	45%	0.453	S	S	.	.	H	α-helix	trans	-80.9	-48.1	178.3	87.7	0	0	0	0	111.6	D363 R368 I369	D363-S365 VanDerWaalsContact CG-OG 3.26Å; D363-S365 PolarHBondContact O-N 2.81Å; D363-S365 PolarHBondContact OD1-N 3.42Å; D363-S365 PolarHBondContact OD2-OG 3.05Å; S365-R368 CarbonylContact O-C 3.45Å; S365-R368 WeakPolarHBondContact O-CA 3.48Å; S365-R368 VanDerWaalsContact O-CB 3.3Å; S365-R368 WeakPolarHBondContact O-CB 3.48Å; S365-R368 PolarHBondContact O-N 2.98Å; S365-I369 WeakPolarHBondContact O-CG1 3.41Å; S365-I369 PolarHBondContact O-N 3.36Å
366	T	41.2	Very low	41.7	Very low	66 Å²	66	90.4 Å²	90.4	41%	0.405	47%	0.468	S	S	.	.	H	α-helix	trans	-67.7	-37.8	173.8	-41	0	0	0	0	111.4	D363 R368 I369 I370	D363-T366 PolarHBondContact O-N 3.12Å; T366-R368 VanDerWaalsContact C-N 3.27Å; T366-R368 PolarHBondContact O-N 3.01Å; T366-I369 PolarHBondContact O-N 3.49Å; T366-I370 HydrophobicContact CG2-CD1 3.83Å; T366-I370 HydrophobicContact CG2-CG1 4.33Å; T366-I370 VanDerWaalsContact O-CB 3.24Å; T366-I370 WeakPolarHBondContact O-CB 3.37Å; T366-I370 VanDerWaalsContact O-CG1 3.25Å; T366-I370 WeakPolarHBondContact O-CG1 3.48Å; T366-I370 PolarHBondContact O-N 3.4Å
367	K	42	Very low	42	Very low	97 Å²	97	93.4 Å²	93.4	42%	0.422	50%	0.495	S	S	.	.	H	α-helix	trans	-58.9	-37.2	165.9	-73.6	172.5	-178.1	173.7	0	111.3	D363 A371	D363-K367 WeakPolarHBondContact O-CB 3.45Å; D363-K367 WeakPolarHBondContact O-CG 3.49Å; D363-K367 PolarHBondContact O-N 2.93Å; K367-A371 WeakPolarHBondContact O-CA 3.33Å; K367-A371 WeakPolarHBondContact O-CB 3.25Å; K367-A371 PolarHBondContact O-N 3.02Å
368	R	39.7	Very low	42.2	Very low	157 Å²	157	92.1 Å²	92.1	59%	0.592	49%	0.491	S	S	*	.	H	α-helix	trans	-71.8	-39.2	175.2	-90.6	-176.6	-76.7	175	-4.3	112.9	K364 S365 T366 A371 M372 R375	K364-R368 WeakPolarHBondContact O-CB 3.36Å; K364-R368 WeakPolarHBondContact O-CG 3.16Å; K364-R368 PolarHBondContact O-N 3.45Å; K364-R368 VanDerWaalsContact O-N 3.08Å; K364-R368 PolarHBondContact O-NE 3.09Å; K364-R368 VanDerWaalsContact O-NE 3.09Å; S365-R368 CarbonylContact O-C 3.45Å; S365-R368 WeakPolarHBondContact O-CA 3.48Å; S365-R368 VanDerWaalsContact O-CB 3.3Å; S365-R368 WeakPolarHBondContact O-CB 3.48Å; S365-R368 PolarHBondContact O-N 2.98Å; T366-R368 VanDerWaalsContact C-N 3.27Å; T366-R368 PolarHBondContact O-N 3.01Å; R368-A371 CarbonylContact O-C 3.59Å; R368-A371 PolarHBondContact O-N 3.49Å; R368-M372 WeakPolarHBondContact O-CB 3.32Å; R368-M372 VanDerWaalsContact O-CG 3.24Å; R368-M372 WeakPolarHBondContact O-CG 3.44Å; R368-M372 PolarHBondContact O-N 2.89Å; R368-R375 PolarHBondContact O-NH2 2.74Å
369	I	40.7	Very low	43.2	Very low	108 Å²	108	91 Å²	91	55%	0.554	49%	0.492	S	S	*	.	H	α-helix	trans	-73.4	-43.3	178.9	-66.7	168.9	0	0	0	110.5	S365 T366 A371 M372 A373	S365-I369 WeakPolarHBondContact O-CG1 3.41Å; S365-I369 PolarHBondContact O-N 3.36Å; T366-I369 PolarHBondContact O-N 3.49Å; I369-A371 VanDerWaalsContact C-N 3.33Å; I369-M372 CarbonylContact O-C 3.44Å; I369-M372 WeakPolarHBondContact O-CB 3.39Å; I369-M372 PolarHBondContact O-N 2.87Å; I369-M372 VanDerWaalsContact O-N 3.08Å; I369-A373 WeakPolarHBondContact O-CB 3.48Å; I369-A373 PolarHBondContact O-N 3.4Å
370	I	42	Very low	43.8	Very low	47 Å²	47	90.6 Å²	90.6	24%	0.241	49%	0.491	C	S	.	.	H	α-helix	trans	-64.6	-39.4	170.9	-65.8	170.8	0	0	0	109.8	T366 M372 A373 A374 L390	T366-I370 HydrophobicContact CG2-CD1 3.83Å; T366-I370 HydrophobicContact CG2-CG1 4.33Å; T366-I370 VanDerWaalsContact O-CB 3.24Å; T366-I370 WeakPolarHBondContact O-CB 3.37Å; T366-I370 VanDerWaalsContact O-CG1 3.25Å; T366-I370 WeakPolarHBondContact O-CG1 3.48Å; T366-I370 PolarHBondContact O-N 3.4Å; I370-M372 VanDerWaalsContact C-N 3.34Å; I370-M372 PolarHBondContact O-N 3.03Å; I370-A373 PolarHBondContact O-N 2.88Å; I370-A374 WeakPolarHBondContact O-CB 3.47Å; I370-A374 PolarHBondContact O-N 3.3Å; I370-L390 HydrophobicContact CD1-CD2 4.11Å
371	A	40.9	Very low	44.2	Very low	16 Å²	16	86 Å²	86	13%	0.132	48%	0.48	C	S	.	.	H	α-helix	trans	-69.2	-24.4	170	0	0	0	0	0	113.7	K367 R368 I369 R375	K367-A371 WeakPolarHBondContact O-CA 3.33Å; K367-A371 WeakPolarHBondContact O-CB 3.25Å; K367-A371 PolarHBondContact O-N 3.02Å; R368-A371 CarbonylContact O-C 3.59Å; R368-A371 PolarHBondContact O-N 3.49Å; I369-A371 VanDerWaalsContact C-N 3.33Å; A371-R375 WeakPolarHBondContact O-CA 3.29Å; A371-R375 WeakPolarHBondContact O-CB 3.42Å; A371-R375 WeakPolarHBondContact O-CG 3.45Å; A371-R375 PolarHBondContact O-N 3.47Å; A371-R375 PolarHBondContact O-NE 3.31Å
372	M	39.8	Very low	45	Very low	120 Å²	120	82.4 Å²	82.4	59%	0.591	46%	0.464	S	S	*	.	H	α-helix	trans	-76.8	-43.2	172.6	-82.9	178.9	145	0	0	111.1	R368 I369 I370 R375	R368-M372 WeakPolarHBondContact O-CB 3.32Å; R368-M372 VanDerWaalsContact O-CG 3.24Å; R368-M372 WeakPolarHBondContact O-CG 3.44Å; R368-M372 PolarHBondContact O-N 2.89Å; I369-M372 CarbonylContact O-C 3.44Å; I369-M372 WeakPolarHBondContact O-CB 3.39Å; I369-M372 PolarHBondContact O-N 2.87Å; I369-M372 VanDerWaalsContact O-N 3.08Å; I370-M372 VanDerWaalsContact C-N 3.34Å; I370-M372 PolarHBondContact O-N 3.03Å; M372-R375 WeakPolarHBondContact O-CB 3.5Å; M372-R375 PolarHBondContact O-N 2.95Å
373	A	42.6	Very low	46.1	Very low	71 Å²	71	81.1 Å²	81.1	59%	0.587	45%	0.45	S	S	*	.	H	α-helix	trans	-64.4	-43.9	174.1	0	0	0	0	0	110.7	I369 I370 S376	I369-A373 WeakPolarHBondContact O-CB 3.48Å; I369-A373 PolarHBondContact O-N 3.4Å; I370-A373 PolarHBondContact O-N 2.88Å; A373-S376 PolarHBondContact O-N 3.5Å
374	A	43.5	Very low	47.1	Very low	20 Å²	20	84.5 Å²	84.5	17%	0.165	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-83.1	-9.3	178.6	0	0	0	0	0	114.2	I370 S376 S377 G378 R383	I370-A374 WeakPolarHBondContact O-CB 3.47Å; I370-A374 PolarHBondContact O-N 3.3Å; A374-S376 PolarHBondContact O-N 3.47Å; A374-S376 VanDerWaalsContact O-N 3.14Å; A374-S377 PolarHBondContact O-N 2.86Å; A374-G378 PolarHBondContact O-N 2.87Å; A374-R383 VanDerWaalsContact CB-CD 3.44Å; A374-R383 HydrophobicContact CB-CG 3.53Å
375	R	44.8	Very low	48.1	Very low	144 Å²	144	78 Å²	78	54%	0.543	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-59.6	-16.6	165.2	-104.1	173.3	-87.6	-149	-1.5	111.8	R368 A371 M372	R368-R375 PolarHBondContact O-NH2 2.74Å; A371-R375 WeakPolarHBondContact O-CA 3.29Å; A371-R375 WeakPolarHBondContact O-CB 3.42Å; A371-R375 WeakPolarHBondContact O-CG 3.45Å; A371-R375 PolarHBondContact O-N 3.47Å; A371-R375 PolarHBondContact O-NE 3.31Å; M372-R375 WeakPolarHBondContact O-CB 3.5Å; M372-R375 PolarHBondContact O-N 2.95Å
376	S	48.1	Very low	49.4	Very low	109 Å²	109	78.7 Å²	78.7	76%	0.762	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-88.9	-2	174.7	-61.7	0	0	0	0	114.7	A373 A374	A373-S376 PolarHBondContact O-N 3.5Å; A374-S376 PolarHBondContact O-N 3.47Å; A374-S376 VanDerWaalsContact O-N 3.14Å
377	S	49.1	Very low	50.6	Low	103 Å²	103	77.1 Å²	77.1	72%	0.72	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.9	5.6	-173.3	56.7	0	0	0	0	119.5	A374	A374-S377 PolarHBondContact O-N 2.86Å
378	G	52.2	Low	52	Low	38 Å²	38	76 Å²	76	39%	0.392	42%	0.417	S	S	.	.			trans	180	168.7	173.9	0	0	0	0	0	118.5	A374 R383	A374-G378 PolarHBondContact O-N 2.87Å; G378-R383 PolarHBondContact O-NE 2.93Å
379	S	55.9	Low	53.8	Low	72 Å²	72	68.8 Å²	68.8	50%	0.503	39%	0.389	S	S	.	.			trans	-58.3	154.6	179.3	71.6	0	0	0	0	112.8	A381 T382 R383	S379-A381 PolarHBondContact O-N 3.01Å; S379-A381 VanDerWaalsContact O-N 3.15Å; S379-T382 WeakPolarHBondContact O-CB 3.15Å; S379-T382 PolarHBondContact O-N 3.22Å; S379-T382 PolarHBondContact OG-N 3.15Å; S379-T382 PolarHBondContact OG-OG1 3.07Å; S379-R383 PolarHBondContact O-N 3.4Å; S379-R383 VanDerWaalsContact O-N 3.16Å
380	E	51.8	Low	55.3	Low	92 Å²	92	66.9 Å²	66.9	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-51.8	-35.8	176.4	179	65	-150.4	0	0	112.8	R383 K384	E380-R383 PolarHBondContact O-N 2.95Å; E380-R383 IonicContact OE2-CZ 2.76Å; E380-R383 IonicContact OE2-NH1 3.19Å; E380-R383 PolarHBondContact OE2-NH1 3.31Å; E380-R383 IonicContact OE2-NH2 3.43Å; E380-R383 PolarHBondContact OE2-NH2 3.22Å; E380-K384 PolarHBondContact O-N 3.07Å; E380-K384 VanDerWaalsContact O-N 3.09Å; E380-K384 WeakPolarHBondContact OE1-CE 3.39Å
381	A	53.3	Low	56.8	Low	60 Å²	60	66.5 Å²	66.5	50%	0.496	38%	0.38	S	S	.	.	H	α-helix	trans	-62.5	-46.3	176.2	0	0	0	0	0	112	S379 R383 K384 I385	S379-A381 PolarHBondContact O-N 3.01Å; S379-A381 VanDerWaalsContact O-N 3.15Å; A381-R383 VanDerWaalsContact C-N 3.26Å; A381-R383 PolarHBondContact O-N 3.46Å; A381-K384 PolarHBondContact O-N 2.94Å; A381-I385 WeakPolarHBondContact O-CG1 3.2Å; A381-I385 PolarHBondContact O-N 3.37Å; A381-I385 VanDerWaalsContact O-N 3.16Å
382	T	58.8	Low	58.6	Low	59 Å²	59	66.4 Å²	66.4	36%	0.362	38%	0.377	S	S	.	.	H	α-helix	trans	-60.1	-39.5	177.1	-46.6	0	0	0	0	110.9	S379 I385 Q386	S379-T382 WeakPolarHBondContact O-CB 3.15Å; S379-T382 PolarHBondContact O-N 3.22Å; S379-T382 PolarHBondContact OG-N 3.15Å; S379-T382 PolarHBondContact OG-OG1 3.07Å; T382-I385 PolarHBondContact O-N 3.39Å; T382-Q386 PolarHBondContact O-N 3.33Å
383	R	58.2	Low	60.4	Low	49 Å²	49	62.9 Å²	62.9	19%	0.185	36%	0.357	C	S	.	.	H	α-helix	trans	-64.5	-43.4	177.7	-67.7	-170.4	-89.5	122.8	1.1	113.1	A374 G378 S379 E380 A381 I385 Q387	A374-R383 VanDerWaalsContact CB-CD 3.44Å; A374-R383 HydrophobicContact CB-CG 3.53Å; G378-R383 PolarHBondContact O-NE 2.93Å; S379-R383 PolarHBondContact O-N 3.4Å; S379-R383 VanDerWaalsContact O-N 3.16Å; E380-R383 PolarHBondContact O-N 2.95Å; E380-R383 IonicContact OE2-CZ 2.76Å; E380-R383 IonicContact OE2-NH1 3.19Å; E380-R383 PolarHBondContact OE2-NH1 3.31Å; E380-R383 IonicContact OE2-NH2 3.43Å; E380-R383 PolarHBondContact OE2-NH2 3.22Å; A381-R383 VanDerWaalsContact C-N 3.26Å; A381-R383 PolarHBondContact O-N 3.46Å; R383-I385 VanDerWaalsContact C-N 3.3Å; R383-I385 PolarHBondContact O-N 3.45Å; R383-Q387 WeakPolarHBondContact O-CB 3.29Å; R383-Q387 PolarHBondContact O-N 3.48Å
384	K	65.9	Low	62.1	Low	137 Å²	137	63.4 Å²	63.4	60%	0.596	35%	0.347	S	S	*	.	H	α-helix	trans	-63.9	-36.9	177.1	-73.5	-179.3	-179.8	177.9	0	112.2	E380 A381 K388	E380-K384 PolarHBondContact O-N 3.07Å; E380-K384 VanDerWaalsContact O-N 3.09Å; E380-K384 WeakPolarHBondContact OE1-CE 3.39Å; A381-K384 PolarHBondContact O-N 2.94Å; K384-K388 PolarHBondContact O-N 3.01Å; K384-K388 VanDerWaalsContact O-N 3.08Å
385	I	62.1	Low	63.6	Low	29 Å²	29	62.9 Å²	62.9	15%	0.149	34%	0.343	C	S	.	.	H	α-helix	trans	-69.5	-47.5	179.1	-65.9	170.2	0	0	0	110.7	A381 T382 R383 Q387 K388 F389 Q550	A381-I385 WeakPolarHBondContact O-CG1 3.2Å; A381-I385 PolarHBondContact O-N 3.37Å; A381-I385 VanDerWaalsContact O-N 3.16Å; T382-I385 PolarHBondContact O-N 3.39Å; R383-I385 VanDerWaalsContact C-N 3.3Å; R383-I385 PolarHBondContact O-N 3.45Å; I385-Q387 VanDerWaalsContact C-N 3.28Å; I385-Q387 PolarHBondContact O-N 3.45Å; I385-K388 WeakPolarHBondContact O-CB 3.24Å; I385-K388 PolarHBondContact O-N 3.42Å; I385-F389 HydrophobicContact CG2-CD2 4.17Å; I385-F389 HydrophobicContact CG2-CE1 4.5Å; I385-F389 HydrophobicContact CG2-CE2 3.67Å; I385-F389 HydrophobicContact CG2-CZ 3.84Å; I385-F389 PolarHBondContact O-N 3.44Å; I385-Q550 HydrophobicContact CG2-CG 3.81Å
386	Q	65.2	Low	65.4	Low	58 Å²	58	56.1 Å²	56.1	27%	0.271	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-38.5	177.6	-167.2	70.3	-28.8	0	0	112.2	T382 K388 F389 L390 E513	T382-Q386 PolarHBondContact O-N 3.33Å; Q386-K388 VanDerWaalsContact C-N 3.35Å; Q386-K388 PolarHBondContact O-N 3.26Å; Q386-F389 PolarHBondContact O-N 3.12Å; Q386-L390 PolarHBondContact O-N 3.47Å; Q386-E513 PolarHBondContact NE2-OE2 3.03Å
387	Q	66.2	Low	67	Low	34 Å²	34	53.7 Å²	53.7	16%	0.159	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-43.9	173	-174.4	63.8	44.4	0	0	111.8	R383 I385 L390 T391	R383-Q387 WeakPolarHBondContact O-CB 3.29Å; R383-Q387 PolarHBondContact O-N 3.48Å; I385-Q387 VanDerWaalsContact C-N 3.28Å; I385-Q387 PolarHBondContact O-N 3.45Å; Q387-L390 PolarHBondContact O-N 2.97Å; Q387-T391 WeakPolarHBondContact O-CG2 3.36Å; Q387-T391 PolarHBondContact O-N 2.71Å; Q387-T391 PolarHBondContact O-OG1 3.37Å
388	K	72.3	Confident	68.4	Low	74 Å²	74	50 Å²	50	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-44.9	179.3	-164.7	-172.7	-179.4	-161.5	0	111.1	K384 I385 Q386 L390 T391 E392 Q554	K384-K388 PolarHBondContact O-N 3.01Å; K384-K388 VanDerWaalsContact O-N 3.08Å; I385-K388 WeakPolarHBondContact O-CB 3.24Å; I385-K388 PolarHBondContact O-N 3.42Å; Q386-K388 VanDerWaalsContact C-N 3.35Å; Q386-K388 PolarHBondContact O-N 3.26Å; K388-L390 PolarHBondContact O-N 3.02Å; K388-T391 PolarHBondContact O-N 2.88Å; K388-T391 PolarHBondContact O-OG1 3.27Å; K388-E392 WeakPolarHBondContact CE-OE1 3.37Å; K388-E392 IonicContact NZ-OE1 2.69Å; K388-E392 WeakPolarHBondContact O-CB 3.37Å; K388-E392 WeakPolarHBondContact O-CG 3.25Å; K388-E392 PolarHBondContact O-N 3.5Å; K388-Q554 PolarHBondContact NZ-O 3.47Å
389	F	76.7	Confident	69.9	Low	4 Å²	4	48.3 Å²	48.3	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-37.9	176.1	-67.1	-22.7	0	0	0	113.4	I385 Q386 E392 R393 L506 Y509 Q550 L553 Q554 L557	I385-F389 HydrophobicContact CG2-CD2 4.17Å; I385-F389 HydrophobicContact CG2-CE1 4.5Å; I385-F389 HydrophobicContact CG2-CE2 3.67Å; I385-F389 HydrophobicContact CG2-CZ 3.84Å; I385-F389 PolarHBondContact O-N 3.44Å; Q386-F389 PolarHBondContact O-N 3.12Å; F389-E392 PolarHBondContact O-N 3.05Å; F389-R393 VanDerWaalsContact O-CB 3.26Å; F389-R393 WeakPolarHBondContact O-CB 3.34Å; F389-R393 PolarHBondContact O-N 3.21Å; F389-L506 HydrophobicContact CB-CD2 4.27Å; F389-Y509 HydrophobicContact CD2-CD1 4.33Å; F389-Y509 AromaticContact CD2-CE1 3.88Å; F389-Y509 HydrophobicContact CD2-CE1 3.88Å; F389-Y509 HydrophobicContact CD2-CE2 4.46Å; F389-Y509 AromaticContact CD2-CZ 3.94Å; F389-Y509 HydrophobicContact CE2-CD2 4.37Å; F389-Y509 HydrophobicContact CE2-CE1 4.14Å; F389-Y509 AromaticContact CE2-CE2 3.9Å; F389-Y509 HydrophobicContact CE2-CE2 3.9Å; F389-Y509 AromaticContact CE2-CZ 3.76Å; F389-Q550 HydrophobicContact CE2-CG 4Å; F389-Q550 HydrophobicContact CZ-CG 4.04Å; F389-L553 HydrophobicContact CD1-CB 4.42Å; F389-L553 HydrophobicContact CE1-CB 3.62Å; F389-L553 HydrophobicContact CZ-CB 3.68Å; F389-Q554 HydrophobicContact CE1-CB 4.19Å; F389-Q554 HydrophobicContact CZ-CB 4.29Å; F389-L557 HydrophobicContact CD1-CD1 3.94Å; F389-L557 HydrophobicContact CE1-CD1 4.33Å
390	L	72.6	Confident	71.4	Confident	69 Å²	69	47.6 Å²	47.6	36%	0.361	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-46.1	174.5	-170	68.2	0	0	0	111	I370 Q386 Q387 K388 E392 R393 E394	I370-L390 HydrophobicContact CD1-CD2 4.11Å; Q386-L390 PolarHBondContact O-N 3.47Å; Q387-L390 PolarHBondContact O-N 2.97Å; K388-L390 PolarHBondContact O-N 3.02Å; L390-E392 PolarHBondContact O-N 3.39Å; L390-R393 PolarHBondContact O-N 2.89Å; L390-E394 WeakPolarHBondContact O-CG 3.27Å; L390-E394 PolarHBondContact O-N 2.87Å
391	T	73.8	Confident	73	Confident	39 Å²	39	50.4 Å²	50.4	24%	0.239	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-41.2	177.2	59	0	0	0	0	112.3	F359 Q387 K388 A395	F359-T391 HydrophobicContact CD1-CG2 3.87Å; F359-T391 HydrophobicContact CE1-CG2 4.25Å; Q387-T391 WeakPolarHBondContact O-CG2 3.36Å; Q387-T391 PolarHBondContact O-N 2.71Å; Q387-T391 PolarHBondContact O-OG1 3.37Å; K388-T391 PolarHBondContact O-N 2.88Å; K388-T391 PolarHBondContact O-OG1 3.27Å; T391-A395 WeakPolarHBondContact O-CB 3.26Å; T391-A395 PolarHBondContact O-N 3.21Å
392	E	78	Confident	74.6	Confident	13 Å²	13	48.5 Å²	48.5	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-69.1	-34.1	178.1	-74.2	167.1	171.4	0	0	112.3	K388 F389 L390 A395 I396 L557 P558	K388-E392 WeakPolarHBondContact CE-OE1 3.37Å; K388-E392 IonicContact NZ-OE1 2.69Å; K388-E392 WeakPolarHBondContact O-CB 3.37Å; K388-E392 WeakPolarHBondContact O-CG 3.25Å; K388-E392 PolarHBondContact O-N 3.5Å; F389-E392 PolarHBondContact O-N 3.05Å; L390-E392 PolarHBondContact O-N 3.39Å; E392-A395 WeakPolarHBondContact O-CB 3.29Å; E392-A395 PolarHBondContact O-N 3.36Å; E392-I396 WeakPolarHBondContact O-CD1 3.3Å; E392-I396 VanDerWaalsContact O-CG1 3.22Å; E392-I396 WeakPolarHBondContact O-CG1 3.33Å; E392-I396 PolarHBondContact O-N 2.94Å; E392-L557 HydrophobicContact CB-CB 4.12Å; E392-L557 HydrophobicContact CB-CD1 4.01Å; E392-L557 VanDerWaalsContact CD-CB 3.5Å; E392-L557 HydrophobicContact CG-CB 4.13Å; E392-L557 WeakPolarHBondContact OE2-CB 3.4Å; E392-L557 WeakPolarHBondContact OE2-CD1 3.21Å; E392-P558 VanDerWaalsContact OE1-CD 3.29Å; E392-P558 WeakPolarHBondContact OE1-CD 3.48Å; E392-P558 WeakPolarHBondContact OE1-CG 3.24Å
393	R	77.7	Confident	76	Confident	46 Å²	46	45.9 Å²	45.9	17%	0.174	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-46.9	174.9	178.6	176	-97.4	158.4	-18.2	111.9	F389 L390 A395 I396 N397 L506 D507 D510	F389-R393 VanDerWaalsContact O-CB 3.26Å; F389-R393 WeakPolarHBondContact O-CB 3.34Å; F389-R393 PolarHBondContact O-N 3.21Å; L390-R393 PolarHBondContact O-N 2.89Å; R393-A395 PolarHBondContact O-N 2.9Å; R393-I396 PolarHBondContact O-N 3.24Å; R393-N397 PolarHBondContact O-N 3Å; R393-N397 PolarHBondContact O-ND2 3.15Å; R393-L506 HydrophobicContact CB-CD1 3.93Å; R393-L506 HydrophobicContact CG-CD1 4.23Å; R393-L506 VanDerWaalsContact NH2-C 3.31Å; R393-L506 PolarHBondContact NH2-O 2.89Å; R393-D507 IonicContact CZ-OD1 3.91Å; R393-D507 IonicContact NH2-OD1 3.7Å; R393-D507 PolarHBondContact NH2-OD1 2.88Å; R393-D510 IonicContact CZ-OD1 2.59Å; R393-D510 IonicContact CZ-OD2 3.21Å; R393-D510 VanDerWaalsContact NH1-CG 3.32Å; R393-D510 IonicContact NH1-OD1 3.22Å; R393-D510 PolarHBondContact NH1-OD1 3.34Å; R393-D510 IonicContact NH1-OD2 3.29Å; R393-D510 PolarHBondContact NH1-OD2 3.44Å; R393-D510 IonicContact NH2-OD1 3.38Å; R393-D510 IonicContact NH2-OD2 3.86Å; R393-D510 PolarHBondContact NH2-OD2 3.28Å
394	E	77.2	Confident	77.3	Confident	83 Å²	83	46 Å²	46	39%	0.388	23%	0.227	S	C	.	.	H	α-helix	trans	-59.7	-42	174.1	-72.2	175.9	172.4	0	0	110.6	F359 L390 I396 N397 H398	F359-E394 WeakPolarHBondContact CE1-OE2 3.34Å; F359-E394 WeakPolarHBondContact CZ-OE2 3.49Å; L390-E394 WeakPolarHBondContact O-CG 3.27Å; L390-E394 PolarHBondContact O-N 2.87Å; E394-I396 PolarHBondContact O-N 3.03Å; E394-N397 PolarHBondContact O-N 3.29Å; E394-H398 WeakPolarHBondContact O-CB 3.49Å; E394-H398 PolarHBondContact O-N 3.46Å
395	A	76.8	Confident	78.3	Confident	9 Å²	9	43.1 Å²	43.1	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-54.1	-48.9	173.7	0	0	0	0	0	113.4	Y356 T391 E392 R393 H398 I399 V561	Y356-A395 HydrophobicContact CE1-CB 3.71Å; Y356-A395 HydrophobicContact CE2-CB 3.65Å; Y356-A395 WeakPolarHBondContact CE2-O 3.44Å; Y356-A395 WeakPolarHBondContact OH-CA 3.25Å; Y356-A395 WeakPolarHBondContact OH-CB 3.5Å; Y356-A395 PolarHBondContact OH-O 3.46Å; T391-A395 WeakPolarHBondContact O-CB 3.26Å; T391-A395 PolarHBondContact O-N 3.21Å; E392-A395 WeakPolarHBondContact O-CB 3.29Å; E392-A395 PolarHBondContact O-N 3.36Å; R393-A395 PolarHBondContact O-N 2.9Å; A395-H398 PolarHBondContact O-N 2.98Å; A395-I399 VanDerWaalsContact O-CG1 3.29Å; A395-I399 WeakPolarHBondContact O-CG1 3.23Å; A395-I399 PolarHBondContact O-N 3.45Å; A395-V561 HydrophobicContact CB-CG1 4.29Å; A395-V561 HydrophobicContact CB-CG2 4.09Å
396	I	81.5	Confident	79.4	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-43.7	178.3	-73.1	165	0	0	0	111.4	E392 R393 E394 H398 I399 E400 I499 K503 L506 L557 L560 V561	E392-I396 WeakPolarHBondContact O-CD1 3.3Å; E392-I396 VanDerWaalsContact O-CG1 3.22Å; E392-I396 WeakPolarHBondContact O-CG1 3.33Å; E392-I396 PolarHBondContact O-N 2.94Å; R393-I396 PolarHBondContact O-N 3.24Å; E394-I396 PolarHBondContact O-N 3.03Å; I396-H398 VanDerWaalsContact C-N 3.26Å; I396-H398 PolarHBondContact O-N 2.7Å; I396-I399 PolarHBondContact O-N 3.42Å; I396-E400 WeakPolarHBondContact O-CB 3.29Å; I396-E400 PolarHBondContact O-N 2.91Å; I396-I499 HydrophobicContact CG2-CB 4.36Å; I396-I499 HydrophobicContact CG2-CG2 3.47Å; I396-I499 VanDerWaalsContact CG2-CG2 3.47Å; I396-K503 HydrophobicContact CG2-CG 3.86Å; I396-L506 HydrophobicContact CD1-CD1 4.03Å; I396-L557 HydrophobicContact CD1-CD2 3.76Å; I396-L560 HydrophobicContact CD1-CD2 4.24Å; I396-V561 HydrophobicContact CG1-CG2 4.01Å
397	N	81.8	Confident	80.6	Confident	58 Å²	58	42.8 Å²	42.8	31%	0.31	22%	0.223	S	C	.	.	H	α-helix	trans	-60.5	-37.9	176.1	-75.4	-32.5	0	0	0	111.8	R393 E394 K401 K503	R393-N397 PolarHBondContact O-N 3Å; R393-N397 PolarHBondContact O-ND2 3.15Å; E394-N397 PolarHBondContact O-N 3.29Å; N397-K401 WeakPolarHBondContact O-CG 3.3Å; N397-K401 PolarHBondContact O-N 3.2Å; N397-K401 VanDerWaalsContact O-N 3.14Å; N397-K503 WeakPolarHBondContact OD1-CE 3.27Å; N397-K503 PolarHBondContact OD1-NZ 2.95Å
398	H	78.4	Confident	81.6	Confident	26 Å²	26	44.8 Å²	44.8	12%	0.12	24%	0.241	C	C	.	.	H	α-helix	trans	-68.5	-47.7	176.6	173.8	-99.2	0	0	0	112	E352 Y356 E394 A395 I396 E400 K401 S402	E352-H398 WeakPolarHBondContact CG-CD2 3.4Å; E352-H398 WeakPolarHBondContact CG-NE2 3.34Å; E352-H398 IonicContact OE1-CD2 2.7Å; E352-H398 PolarHBondContact OE1-CD2 3.48Å; E352-H398 VanDerWaalsContact OE1-CD2 3.32Å; E352-H398 IonicContact OE1-CG 2.6Å; Y356-H398 AromaticContact CD2-ND1 3.89Å; Y356-H398 HydrophobicContact CE2-CB 4.11Å; Y356-H398 AromaticContact CE2-ND1 3.77Å; E394-H398 WeakPolarHBondContact O-CB 3.49Å; E394-H398 PolarHBondContact O-N 3.46Å; A395-H398 PolarHBondContact O-N 2.98Å; I396-H398 VanDerWaalsContact C-N 3.26Å; I396-H398 PolarHBondContact O-N 2.7Å; H398-E400 PolarHBondContact O-N 2.93Å; H398-K401 PolarHBondContact O-N 3.32Å; H398-K401 VanDerWaalsContact O-N 3.15Å; H398-S402 PolarHBondContact CE1-OG 3.08Å; H398-S402 PolarHBondContact NE2-OG 2.88Å; H398-S402 WeakPolarHBondContact O-CB 3.43Å; H398-S402 PolarHBondContact O-N 3.22Å; H398-S402 PolarHBondContact O-OG 3.18Å
399	I	84.7	Confident	82.1	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-57.2	-40.7	176.2	-68.1	166.7	0	0	0	110.3	Y356 A395 I396 S402 C403 L495 I499 V561 A564 N565	Y356-I399 WeakPolarHBondContact OH-CD1 3.28Å; Y356-I399 WeakPolarHBondContact OH-CG1 3.38Å; A395-I399 VanDerWaalsContact O-CG1 3.29Å; A395-I399 WeakPolarHBondContact O-CG1 3.23Å; A395-I399 PolarHBondContact O-N 3.45Å; I396-I399 PolarHBondContact O-N 3.42Å; I399-S402 PolarHBondContact O-N 2.94Å; I399-C403 WeakPolarHBondContact O-CB 3.38Å; I399-C403 PolarHBondContact O-N 3.24Å; I399-L495 HydrophobicContact CG2-CD2 4.37Å; I399-I499 HydrophobicContact CB-CD1 4.27Å; I399-I499 HydrophobicContact CG2-CD1 3.48Å; I399-I499 VanDerWaalsContact CG2-CD1 3.48Å; I399-I499 HydrophobicContact CG2-CG1 4.39Å; I399-V561 HydrophobicContact CD1-CG1 4.26Å; I399-V561 HydrophobicContact CD1-CG2 4.47Å; I399-A564 HydrophobicContact CD1-CB 3.8Å; I399-A564 HydrophobicContact CG2-CB 3.97Å; I399-N565 WeakPolarHBondContact CG1-OD1 3.47Å
400	E	85.9	Confident	82.5	Confident	58 Å²	58	43.8 Å²	43.8	27%	0.271	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-48.2	176.3	-176.3	-168.6	-127.6	0	0	112.3	I396 H398 S402 C403 A404 I499 K503	I396-E400 WeakPolarHBondContact O-CB 3.29Å; I396-E400 PolarHBondContact O-N 2.91Å; H398-E400 PolarHBondContact O-N 2.93Å; E400-S402 VanDerWaalsContact C-N 3.32Å; E400-S402 PolarHBondContact O-N 3.15Å; E400-C403 PolarHBondContact O-N 2.86Å; E400-A404 WeakPolarHBondContact O-CB 3.27Å; E400-A404 PolarHBondContact O-N 2.87Å; E400-I499 HydrophobicContact CB-CG2 4.03Å; E400-I499 HydrophobicContact CG-CG2 4.43Å; E400-K503 IonicContact OE1-NZ 2.96Å; E400-K503 PolarHBondContact OE1-NZ 3.32Å; E400-K503 IonicContact OE2-NZ 2.62Å; E400-K503 PolarHBondContact OE2-NZ 3.4Å
401	K	86.2	Confident	83.3	Confident	151 Å²	151	43.6 Å²	43.6	66%	0.657	24%	0.243	S	C	*	.	H	α-helix	trans	-59.8	-44.1	176.1	-73	176.7	-177.7	177.5	0	111.5	N397 H398 A404 S405	N397-K401 WeakPolarHBondContact O-CG 3.3Å; N397-K401 PolarHBondContact O-N 3.2Å; N397-K401 VanDerWaalsContact O-N 3.14Å; H398-K401 PolarHBondContact O-N 3.32Å; H398-K401 VanDerWaalsContact O-N 3.15Å; K401-A404 PolarHBondContact O-N 2.99Å; K401-S405 WeakPolarHBondContact O-CB 3.33Å; K401-S405 PolarHBondContact O-N 3.39Å
402	S	85.7	Confident	83.8	Confident	20 Å²	20	44 Å²	44	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-41.3	177.8	-79.2	0	0	0	0	112.4	H398 I399 E400 S405 L406	H398-S402 PolarHBondContact CE1-OG 3.08Å; H398-S402 PolarHBondContact NE2-OG 2.88Å; H398-S402 WeakPolarHBondContact O-CB 3.43Å; H398-S402 PolarHBondContact O-N 3.22Å; H398-S402 PolarHBondContact O-OG 3.18Å; I399-S402 PolarHBondContact O-N 2.94Å; E400-S402 VanDerWaalsContact C-N 3.32Å; E400-S402 PolarHBondContact O-N 3.15Å; S402-S405 PolarHBondContact O-N 3.04Å; S402-L406 WeakPolarHBondContact O-CB 3.41Å; S402-L406 PolarHBondContact O-N 2.9Å
403	C	88.4	Confident	84	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-47	174.3	-177.7	0	0	0	0	111.1	I399 E400 S405 L406 Q407 L492 L568	I399-C403 WeakPolarHBondContact O-CB 3.38Å; I399-C403 PolarHBondContact O-N 3.24Å; E400-C403 PolarHBondContact O-N 2.86Å; C403-S405 PolarHBondContact O-N 3.33Å; C403-L406 PolarHBondContact O-N 2.89Å; C403-Q407 WeakPolarHBondContact O-CB 3.49Å; C403-Q407 PolarHBondContact O-N 3.34Å; C403-L492 PolarHBondContact SG-O 3.21Å; C403-L568 HydrophobicContact CB-CD1 4.46Å
404	A	86.8	Confident	84.4	Confident	52 Å²	52	46.7 Å²	46.7	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-41	176.8	0	0	0	0	0	112.6	E400 K401 S408	E400-A404 WeakPolarHBondContact O-CB 3.27Å; E400-A404 PolarHBondContact O-N 2.87Å; K401-A404 PolarHBondContact O-N 2.99Å; A404-S408 WeakPolarHBondContact O-CB 3.45Å; A404-S408 PolarHBondContact O-N 3.04Å
405	S	86.7	Confident	84.8	Confident	77 Å²	77	48.9 Å²	48.9	54%	0.538	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-48.4	176.1	-174.5	0	0	0	0	111.6	K401 S402 C403 Q407 S408 A409	K401-S405 WeakPolarHBondContact O-CB 3.33Å; K401-S405 PolarHBondContact O-N 3.39Å; S402-S405 PolarHBondContact O-N 3.04Å; C403-S405 PolarHBondContact O-N 3.33Å; S405-Q407 PolarHBondContact O-N 3.39Å; S405-S408 PolarHBondContact O-N 3.46Å; S405-A409 VanDerWaalsContact O-CB 3.28Å; S405-A409 WeakPolarHBondContact O-CB 3.41Å; S405-A409 PolarHBondContact O-N 3.13Å
406	L	85.8	Confident	85	Confident	28 Å²	28	53.8 Å²	53.8	15%	0.147	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-44.7	177.6	-179.2	61.5	0	0	0	111.2	S402 C403 S408 A409 V410 L492 L568 A571	S402-L406 WeakPolarHBondContact O-CB 3.41Å; S402-L406 PolarHBondContact O-N 2.9Å; C403-L406 PolarHBondContact O-N 2.89Å; L406-S408 PolarHBondContact O-N 2.79Å; L406-A409 PolarHBondContact O-N 3.16Å; L406-V410 HydrophobicContact CD1-CG2 3.99Å; L406-V410 HydrophobicContact CG-CG2 4.34Å; L406-V410 WeakPolarHBondContact O-CB 3.44Å; L406-V410 VanDerWaalsContact O-CG2 3.3Å; L406-V410 WeakPolarHBondContact O-CG2 3.49Å; L406-V410 PolarHBondContact O-N 2.92Å; L406-L492 HydrophobicContact CB-CD1 4.47Å; L406-L492 HydrophobicContact CD2-CD1 4.01Å; L406-L492 HydrophobicContact CD2-CD2 4.07Å; L406-L492 HydrophobicContact CG-CD1 4.06Å; L406-L568 HydrophobicContact CB-CD1 4.29Å; L406-L568 HydrophobicContact CD2-CD1 3.69Å; L406-L568 HydrophobicContact CD2-CG 4.41Å; L406-A571 HydrophobicContact CD2-CB 4.28Å
407	Q	89.1	Confident	85.1	Confident	51 Å²	51	53.9 Å²	53.9	24%	0.238	28%	0.284	C	S	.	.	H	α-helix	trans	-57.1	-52.1	176.3	-176.6	180	-8.4	0	0	111.1	C403 S405 A409 V410 E411 L489 L492	C403-Q407 WeakPolarHBondContact O-CB 3.49Å; C403-Q407 PolarHBondContact O-N 3.34Å; S405-Q407 PolarHBondContact O-N 3.39Å; Q407-A409 VanDerWaalsContact C-N 3.3Å; Q407-A409 PolarHBondContact O-N 2.71Å; Q407-V410 PolarHBondContact O-N 2.94Å; Q407-E411 WeakPolarHBondContact CG-OE1 3.22Å; Q407-E411 PolarHBondContact NE2-OE1 2.82Å; Q407-E411 WeakPolarHBondContact O-CB 3.36Å; Q407-E411 WeakPolarHBondContact O-CG 3.49Å; Q407-E411 PolarHBondContact O-N 2.98Å; Q407-L489 HydrophobicContact CG-CD2 4.05Å; Q407-L492 HydrophobicContact CB-CD1 4.31Å
408	S	87.8	Confident	85.3	Confident	76 Å²	76	54.9 Å²	54.9	53%	0.531	28%	0.283	S	S	.	.	H	α-helix	trans	-62.7	-36.9	179	-178.1	0	0	0	0	112.5	A404 S405 L406 S412	A404-S408 WeakPolarHBondContact O-CB 3.45Å; A404-S408 PolarHBondContact O-N 3.04Å; S405-S408 PolarHBondContact O-N 3.46Å; L406-S408 PolarHBondContact O-N 2.79Å; S408-S412 WeakPolarHBondContact O-CB 3.35Å; S408-S412 PolarHBondContact O-N 3.21Å
409	A	82.1	Confident	85.6	Confident	46 Å²	46	61.6 Å²	61.6	38%	0.38	31%	0.307	S	S	.	.	H	α-helix	trans	-67.4	-46.6	179	0	0	0	0	0	111.6	S405 L406 Q407 S412 R413	S405-A409 VanDerWaalsContact O-CB 3.28Å; S405-A409 WeakPolarHBondContact O-CB 3.41Å; S405-A409 PolarHBondContact O-N 3.13Å; L406-A409 PolarHBondContact O-N 3.16Å; Q407-A409 VanDerWaalsContact C-N 3.3Å; Q407-A409 PolarHBondContact O-N 2.71Å; A409-S412 PolarHBondContact O-N 2.83Å; A409-R413 VanDerWaalsContact O-CB 3.29Å; A409-R413 WeakPolarHBondContact O-CB 3.44Å; A409-R413 PolarHBondContact O-N 2.94Å
410	V	85.9	Confident	85.5	Confident	11 Å²	11	67 Å²	67	7%	0.067	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-51.6	176.8	168.5	0	0	0	0	110.3	L406 Q407 S412 R413 S414 M484 V488 L489 A575	L406-V410 HydrophobicContact CD1-CG2 3.99Å; L406-V410 HydrophobicContact CG-CG2 4.34Å; L406-V410 WeakPolarHBondContact O-CB 3.44Å; L406-V410 VanDerWaalsContact O-CG2 3.3Å; L406-V410 WeakPolarHBondContact O-CG2 3.49Å; L406-V410 PolarHBondContact O-N 2.92Å; Q407-V410 PolarHBondContact O-N 2.94Å; V410-S412 PolarHBondContact O-N 3.36Å; V410-R413 PolarHBondContact O-N 3.02Å; V410-S414 PolarHBondContact O-N 3.05Å; V410-S414 PolarHBondContact O-OG 3.48Å; V410-S414 VanDerWaalsContact O-OG 3.08Å; V410-M484 HydrophobicContact CG1-CE 4.15Å; V410-M484 HydrophobicContact CG1-CG 3.53Å; V410-M484 HydrophobicContact CG1-SD 3.39Å; V410-M484 WeakPolarHBondContact CG1-SD 3.3Å; V410-V488 HydrophobicContact CG2-CG1 4.44Å; V410-L489 HydrophobicContact CG1-CD2 4.12Å; V410-A575 HydrophobicContact CG2-CB 4Å
411	E	88	Confident	85.3	Confident	65 Å²	65	64.4 Å²	64.4	30%	0.304	32%	0.319	S	S	.	.	H	α-helix	trans	-60.4	-43.5	179.3	-72.2	177.1	-167	0	0	112.3	Q407 K415 L489	Q407-E411 WeakPolarHBondContact CG-OE1 3.22Å; Q407-E411 PolarHBondContact NE2-OE1 2.82Å; Q407-E411 WeakPolarHBondContact O-CB 3.36Å; Q407-E411 WeakPolarHBondContact O-CG 3.49Å; Q407-E411 PolarHBondContact O-N 2.98Å; E411-K415 WeakPolarHBondContact O-CB 3.45Å; E411-K415 VanDerWaalsContact O-CG 3.28Å; E411-K415 WeakPolarHBondContact O-CG 3.27Å; E411-K415 PolarHBondContact O-N 2.98Å; E411-L489 HydrophobicContact CG-CD1 4.32Å; E411-L489 HydrophobicContact CG-CD2 4.15Å
412	S	85.3	Confident	85.2	Confident	48 Å²	48	59.6 Å²	59.6	34%	0.336	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-42.1	177.2	-177.8	0	0	0	0	111.9	S408 A409 V410 R416	S408-S412 WeakPolarHBondContact O-CB 3.35Å; S408-S412 PolarHBondContact O-N 3.21Å; A409-S412 PolarHBondContact O-N 2.83Å; V410-S412 PolarHBondContact O-N 3.36Å; S412-R416 WeakPolarHBondContact O-CB 3.35Å; S412-R416 PolarHBondContact O-N 3.01Å; S412-R416 PolarHBondContact OG-NH2 2.96Å
413	R	82	Confident	85	Confident	112 Å²	112	61.3 Å²	61.3	42%	0.423	32%	0.315	S	S	.	.	H	α-helix	trans	-65.1	-49.1	178.1	-176.4	62.8	170	131.7	-9.7	111.1	A409 V410 K415 R416 T417	A409-R413 VanDerWaalsContact O-CB 3.29Å; A409-R413 WeakPolarHBondContact O-CB 3.44Å; A409-R413 PolarHBondContact O-N 2.94Å; V410-R413 PolarHBondContact O-N 3.02Å; R413-K415 PolarHBondContact O-N 3.45Å; R413-R416 PolarHBondContact O-N 3.46Å; R413-R416 VanDerWaalsContact O-N 3.11Å; R413-T417 PolarHBondContact NH1-OG1 2.96Å; R413-T417 PolarHBondContact O-N 2.86Å; R413-T417 PolarHBondContact O-OG1 2.91Å
414	S	85.7	Confident	84.7	Confident	4 Å²	4	64 Å²	64	3%	0.028	33%	0.328	C	S	.	.	H	α-helix	trans	-59.7	-44	178.3	-58.2	0	0	0	0	111.7	V410 R416 T417 R418 Y480	V410-S414 PolarHBondContact O-N 3.05Å; V410-S414 PolarHBondContact O-OG 3.48Å; V410-S414 VanDerWaalsContact O-OG 3.08Å; S414-R416 VanDerWaalsContact C-N 3.32Å; S414-R416 PolarHBondContact O-N 3.47Å; S414-T417 PolarHBondContact O-N 3.3Å; S414-R418 WeakPolarHBondContact O-CB 3.35Å; S414-R418 PolarHBondContact O-N 3.06Å; S414-Y480 PolarHBondContact OG-OH 3.42Å
415	K	86.5	Confident	84.5	Confident	128 Å²	128	64.1 Å²	64.1	56%	0.557	32%	0.318	S	S	*	.	H	α-helix	trans	-60.9	-38.4	174.2	-74.9	172.8	-177.8	170.9	0	112.8	E411 R413 R419	E411-K415 WeakPolarHBondContact O-CB 3.45Å; E411-K415 VanDerWaalsContact O-CG 3.28Å; E411-K415 WeakPolarHBondContact O-CG 3.27Å; E411-K415 PolarHBondContact O-N 2.98Å; R413-K415 PolarHBondContact O-N 3.45Å; K415-R419 WeakPolarHBondContact O-CG 3.47Å; K415-R419 PolarHBondContact O-N 3.28Å; K415-R419 VanDerWaalsContact O-N 3.1Å; K415-R419 PolarHBondContact O-NE 3.46Å
416	R	81.2	Confident	84.3	Confident	112 Å²	112	65.2 Å²	65.2	42%	0.423	32%	0.318	S	S	.	.	H	α-helix	trans	-71.9	-44.9	179.7	-164.2	178.1	-43.7	168.9	9.8	111.8	S412 R413 S414 R418 R419 F420	S412-R416 WeakPolarHBondContact O-CB 3.35Å; S412-R416 PolarHBondContact O-N 3.01Å; S412-R416 PolarHBondContact OG-NH2 2.96Å; R413-R416 PolarHBondContact O-N 3.46Å; R413-R416 VanDerWaalsContact O-N 3.11Å; S414-R416 VanDerWaalsContact C-N 3.32Å; S414-R416 PolarHBondContact O-N 3.47Å; R416-R418 VanDerWaalsContact C-N 3.31Å; R416-R418 PolarHBondContact O-N 3.43Å; R416-R419 PolarHBondContact O-N 3.26Å; R416-F420 WeakPolarHBondContact O-CB 3.44Å; R416-F420 PolarHBondContact O-N 2.97Å
417	T	83	Confident	84.2	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.031	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-41.6	175	-64.6	0	0	0	0	111.1	R413 S414 F420 I421 Q579 L582 M583	R413-T417 PolarHBondContact NH1-OG1 2.96Å; R413-T417 PolarHBondContact O-N 2.86Å; R413-T417 PolarHBondContact O-OG1 2.91Å; S414-T417 PolarHBondContact O-N 3.3Å; T417-F420 PolarHBondContact O-N 3.33Å; T417-I421 HydrophobicContact CG2-CD1 3.91Å; T417-I421 WeakPolarHBondContact O-CG1 3.48Å; T417-I421 PolarHBondContact O-N 2.68Å; T417-Q579 PolarHBondContact OG1-NE2 2.91Å; T417-Q579 VanDerWaalsContact OG1-NE2 3.07Å; T417-L582 HydrophobicContact CG2-CD2 3.6Å; T417-M583 HydrophobicContact CG2-CE 4.01Å
418	R	86.3	Confident	83.8	Confident	79 Å²	79	68.3 Å²	68.3	30%	0.298	33%	0.331	S	S	.	.	H	α-helix	trans	-56.6	-53.4	173.1	-171.1	164.5	171.7	64.1	-1.1	112.3	S414 R416 F420 I421 L422 M476 D477	S414-R418 WeakPolarHBondContact O-CB 3.35Å; S414-R418 PolarHBondContact O-N 3.06Å; R416-R418 VanDerWaalsContact C-N 3.31Å; R416-R418 PolarHBondContact O-N 3.43Å; R418-F420 VanDerWaalsContact C-N 3.26Å; R418-F420 PolarHBondContact O-N 3.48Å; R418-I421 PolarHBondContact O-N 3.01Å; R418-L422 HydrophobicContact CG-CD1 3.91Å; R418-L422 HydrophobicContact CG-CG 4.36Å; R418-L422 WeakPolarHBondContact O-CG 3.17Å; R418-L422 PolarHBondContact O-N 2.73Å; R418-M476 HydrophobicContact CB-CE 3.5Å; R418-M476 VanDerWaalsContact CB-CE 3.5Å; R418-M476 HydrophobicContact CB-SD 3.97Å; R418-M476 HydrophobicContact CG-CE 3.95Å; R418-M476 HydrophobicContact CG-SD 3.79Å; R418-D477 IonicContact CZ-OD1 2.99Å; R418-D477 VanDerWaalsContact CZ-OD1 3.29Å; R418-D477 IonicContact CZ-OD2 3.49Å; R418-D477 VanDerWaalsContact CZ-OD2 3.3Å; R418-D477 IonicContact NE-OD1 3.92Å; R418-D477 IonicContact NH1-OD1 3.88Å; R418-D477 PolarHBondContact NH1-OD1 3.35Å; R418-D477 IonicContact NH1-OD2 3.23Å; R418-D477 PolarHBondContact NH1-OD2 2.96Å; R418-D477 IonicContact NH2-OD1 2.62Å; R418-D477 IonicContact NH2-OD2 3.66Å; R418-D477 PolarHBondContact NH2-OD2 2.96Å
419	R	84.3	Confident	83.5	Confident	167 Å²	167	66.6 Å²	66.6	63%	0.63	32%	0.319	S	S	*	.	H	α-helix	trans	-59.1	-39.1	-180	-79.3	-173.9	-72.6	-169.5	-0	112.3	K415 R416 A423	K415-R419 WeakPolarHBondContact O-CG 3.47Å; K415-R419 PolarHBondContact O-N 3.28Å; K415-R419 VanDerWaalsContact O-N 3.1Å; K415-R419 PolarHBondContact O-NE 3.46Å; R416-R419 PolarHBondContact O-N 3.26Å; R419-A423 VanDerWaalsContact O-CB 3.3Å; R419-A423 WeakPolarHBondContact O-CB 3.33Å; R419-A423 PolarHBondContact O-N 3.49Å
420	F	83	Confident	83.5	Confident	114 Å²	114	70.5 Å²	70.5	50%	0.5	33%	0.327	S	S	.	.	H	α-helix	trans	-61.8	-48.3	175.8	177.6	-90.6	0	0	0	111.9	R416 T417 R418 A423 H424	R416-F420 WeakPolarHBondContact O-CB 3.44Å; R416-F420 PolarHBondContact O-N 2.97Å; T417-F420 PolarHBondContact O-N 3.33Å; R418-F420 VanDerWaalsContact C-N 3.26Å; R418-F420 PolarHBondContact O-N 3.48Å; F420-A423 PolarHBondContact O-N 3.35Å; F420-H424 AromaticContact CD1-ND1 3.89Å; F420-H424 AromaticContact CD2-CE1 3.75Å; F420-H424 AromaticContact CE1-CE1 3.55Å; F420-H424 AromaticContact CE1-ND1 3.71Å; F420-H424 AromaticContact CE2-CE1 3.22Å; F420-H424 WeakPolarHBondContact CE2-CE1 3.41Å; F420-H424 AromaticContact CE2-ND1 3.95Å; F420-H424 AromaticContact CZ-CE1 3.1Å; F420-H424 WeakPolarHBondContact CZ-CE1 3.14Å; F420-H424 AromaticContact CZ-ND1 3.75Å; F420-H424 AromaticContact CZ-NE2 3.7Å; F420-H424 PolarHBondContact O-N 2.98Å; F420-H424 VanDerWaalsContact O-N 3.15Å; F420-H424 PolarHBondContact O-ND1 2.89Å
421	I	81	Confident	83.2	Confident	4 Å²	4	71.6 Å²	71.6	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-44.7	178.9	-66.1	166.6	0	0	0	110.6	T417 R418 H424 K425 F469 L472 I473 M476 L582	T417-I421 HydrophobicContact CG2-CD1 3.91Å; T417-I421 WeakPolarHBondContact O-CG1 3.48Å; T417-I421 PolarHBondContact O-N 2.68Å; R418-I421 PolarHBondContact O-N 3.01Å; I421-H424 PolarHBondContact O-N 3.37Å; I421-K425 PolarHBondContact O-N 2.66Å; I421-F469 HydrophobicContact CG2-CD1 4.13Å; I421-L472 HydrophobicContact CD1-CD2 4.16Å; I421-L472 HydrophobicContact CD1-CG 4.17Å; I421-L472 HydrophobicContact CG1-CD2 4.12Å; I421-L472 HydrophobicContact CG2-CD2 4.06Å; I421-L472 HydrophobicContact CG2-CG 4.21Å; I421-I473 HydrophobicContact CG2-CD1 4.31Å; I421-I473 HydrophobicContact CG2-CG1 3.55Å; I421-M476 HydrophobicContact CD1-CB 4.42Å; I421-M476 HydrophobicContact CD1-CG 4.2Å; I421-L582 HydrophobicContact CD1-CD2 4.47Å
422	L	85.5	Confident	82.7	Confident	50 Å²	50	71.4 Å²	71.4	26%	0.262	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-44	177.4	-71.1	173.4	0	0	0	112.2	R418 H424 K425 D426 I473	R418-L422 HydrophobicContact CG-CD1 3.91Å; R418-L422 HydrophobicContact CG-CG 4.36Å; R418-L422 WeakPolarHBondContact O-CG 3.17Å; R418-L422 PolarHBondContact O-N 2.73Å; L422-H424 VanDerWaalsContact C-N 3.26Å; L422-H424 PolarHBondContact O-N 3.49Å; L422-K425 WeakPolarHBondContact O-CB 3.46Å; L422-K425 PolarHBondContact O-N 2.89Å; L422-K425 VanDerWaalsContact O-N 3.12Å; L422-D426 WeakPolarHBondContact O-CB 3.38Å; L422-D426 PolarHBondContact O-N 3.35Å; L422-I473 HydrophobicContact CD2-CD1 3.79Å; L422-I473 HydrophobicContact CD2-CG1 4.31Å
423	A	81.4	Confident	82.5	Confident	56 Å²	56	75.2 Å²	75.2	46%	0.463	34%	0.341	S	S	.	.	H	α-helix	trans	-60.8	-36.4	177.7	0	0	0	0	0	112.4	R419 F420 F427	R419-A423 VanDerWaalsContact O-CB 3.3Å; R419-A423 WeakPolarHBondContact O-CB 3.33Å; R419-A423 PolarHBondContact O-N 3.49Å; F420-A423 PolarHBondContact O-N 3.35Å; A423-F427 WeakPolarHBondContact O-CB 3.37Å; A423-F427 PolarHBondContact O-N 3.48Å
424	H	81.1	Confident	82.3	Confident	60 Å²	60	71 Å²	71	28%	0.278	33%	0.327	S	S	.	.	H	α-helix	trans	-68.2	-44.2	173.5	-76.1	73.5	0	0	0	111.6	F420 I421 L422 D426 F427 I428 F469	F420-H424 AromaticContact CD1-ND1 3.89Å; F420-H424 AromaticContact CD2-CE1 3.75Å; F420-H424 AromaticContact CE1-CE1 3.55Å; F420-H424 AromaticContact CE1-ND1 3.71Å; F420-H424 AromaticContact CE2-CE1 3.22Å; F420-H424 WeakPolarHBondContact CE2-CE1 3.41Å; F420-H424 AromaticContact CE2-ND1 3.95Å; F420-H424 AromaticContact CZ-CE1 3.1Å; F420-H424 WeakPolarHBondContact CZ-CE1 3.14Å; F420-H424 AromaticContact CZ-ND1 3.75Å; F420-H424 AromaticContact CZ-NE2 3.7Å; F420-H424 PolarHBondContact O-N 2.98Å; F420-H424 VanDerWaalsContact O-N 3.15Å; F420-H424 PolarHBondContact O-ND1 2.89Å; I421-H424 PolarHBondContact O-N 3.37Å; L422-H424 VanDerWaalsContact C-N 3.26Å; L422-H424 PolarHBondContact O-N 3.49Å; H424-D426 VanDerWaalsContact C-N 3.35Å; H424-D426 PolarHBondContact O-N 2.93Å; H424-F427 WeakPolarHBondContact O-CB 3.31Å; H424-F427 PolarHBondContact O-N 3.2Å; H424-I428 WeakPolarHBondContact O-CG1 3.45Å; H424-I428 PolarHBondContact O-N 3.05Å; H424-F469 HydrophobicContact CB-CD1 4.04Å; H424-F469 HydrophobicContact CB-CE1 3.4Å; H424-F469 HydrophobicContact CB-CE2 4.33Å; H424-F469 HydrophobicContact CB-CZ 3.57Å
425	K	82	Confident	81.9	Confident	53 Å²	53	72.6 Å²	72.6	23%	0.23	33%	0.334	C	S	.	.	H	α-helix	trans	-56.9	-49.5	173.6	175.2	174.7	167.4	174.9	0	111.3	I421 L422 F427 I428 C429 F469 D470 I473	I421-K425 PolarHBondContact O-N 2.66Å; L422-K425 WeakPolarHBondContact O-CB 3.46Å; L422-K425 PolarHBondContact O-N 2.89Å; L422-K425 VanDerWaalsContact O-N 3.12Å; K425-F427 PolarHBondContact O-N 3.02Å; K425-I428 PolarHBondContact O-N 3.19Å; K425-C429 PolarHBondContact O-N 2.88Å; K425-C429 PolarHBondContact O-SG 3.4Å; K425-C429 VanDerWaalsContact O-SG 3.4Å; K425-F469 HydrophobicContact CB-CB 4.14Å; K425-D470 WeakPolarHBondContact CD-OD1 3.44Å; K425-D470 WeakPolarHBondContact CE-OD1 3.38Å; K425-D470 IonicContact NZ-OD1 2.86Å; K425-D470 PolarHBondContact NZ-OD1 3.29Å; K425-I473 HydrophobicContact CB-CD1 4.07Å; K425-I473 HydrophobicContact CD-CD1 3.24Å; K425-I473 HydrophobicContact CG-CD1 4.25Å
426	D	83.5	Confident	81.6	Confident	101 Å²	101	72.4 Å²	72.4	54%	0.54	34%	0.338	S	S	.	.	H	α-helix	trans	-59.1	-39.5	-179.1	-67.2	-20.1	0	0	0	111.2	L422 H424 C429 F430	L422-D426 WeakPolarHBondContact O-CB 3.38Å; L422-D426 PolarHBondContact O-N 3.35Å; H424-D426 VanDerWaalsContact C-N 3.35Å; H424-D426 PolarHBondContact O-N 2.93Å; D426-C429 PolarHBondContact O-N 3.42Å; D426-F430 WeakPolarHBondContact O-CB 3.31Å; D426-F430 PolarHBondContact O-N 2.86Å
427	F	83.2	Confident	81.4	Confident	118 Å²	118	73.6 Å²	73.6	52%	0.518	35%	0.349	S	S	.	.	H	α-helix	trans	-62.6	-45.7	173	177.7	-104.4	0	0	0	112.3	A423 H424 K425 F430 M431	A423-F427 WeakPolarHBondContact O-CB 3.37Å; A423-F427 PolarHBondContact O-N 3.48Å; H424-F427 WeakPolarHBondContact O-CB 3.31Å; H424-F427 PolarHBondContact O-N 3.2Å; K425-F427 PolarHBondContact O-N 3.02Å; F427-F430 WeakPolarHBondContact O-CB 3.24Å; F427-F430 PolarHBondContact O-N 3.49Å; F427-M431 HydrophobicContact CD1-CG 4.37Å; F427-M431 HydrophobicContact CE1-CG 3.97Å; F427-M431 HydrophobicContact CE1-SD 4.48Å; F427-M431 HydrophobicContact CE2-CG 4.31Å; F427-M431 HydrophobicContact CE2-SD 4.32Å; F427-M431 HydrophobicContact CZ-CG 3.94Å; F427-M431 HydrophobicContact CZ-SD 3.94Å; F427-M431 VanDerWaalsContact O-CG 3.29Å; F427-M431 WeakPolarHBondContact O-CG 3.16Å; F427-M431 PolarHBondContact O-N 3.47Å
428	I	80.7	Confident	81.3	Confident	25 Å²	25	79.4 Å²	79.4	13%	0.128	38%	0.375	C	S	.	.	H	α-helix	trans	-64.3	-41.9	176.9	-63.3	-61.5	0	0	0	111.5	H424 K425 F430 M431 K432 I462 E466 F469	H424-I428 WeakPolarHBondContact O-CG1 3.45Å; H424-I428 PolarHBondContact O-N 3.05Å; K425-I428 PolarHBondContact O-N 3.19Å; I428-F430 VanDerWaalsContact C-N 3.31Å; I428-F430 PolarHBondContact O-N 3.39Å; I428-M431 WeakPolarHBondContact O-CB 3.05Å; I428-M431 PolarHBondContact O-N 2.94Å; I428-K432 PolarHBondContact O-N 3.38Å; I428-I462 HydrophobicContact CG2-CG2 4.06Å; I428-I462 WeakPolarHBondContact CG2-O 3.24Å; I428-E466 HydrophobicContact CG2-CB 3.91Å; I428-F469 HydrophobicContact CG1-CD2 4.31Å; I428-F469 HydrophobicContact CG1-CE2 4.45Å
429	C	82.3	Confident	80.8	Confident	41 Å²	41	79.9 Å²	79.9	28%	0.277	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-38.5	174.6	-67.7	0	0	0	0	111.7	K425 D426 K432 K433	K425-C429 PolarHBondContact O-N 2.88Å; K425-C429 PolarHBondContact O-SG 3.4Å; K425-C429 VanDerWaalsContact O-SG 3.4Å; D426-C429 PolarHBondContact O-N 3.42Å; C429-K432 PolarHBondContact O-N 3.42Å; C429-K433 WeakPolarHBondContact O-CB 3.19Å; C429-K433 PolarHBondContact O-N 2.95Å
430	F	81.4	Confident	80.3	Confident	127 Å²	127	74.3 Å²	74.3	56%	0.557	38%	0.375	S	S	*	.	H	α-helix	trans	-62.8	-43.5	172.9	173.6	-97.3	0	0	0	111.9	D426 F427 I428 K433 T434	D426-F430 WeakPolarHBondContact O-CB 3.31Å; D426-F430 PolarHBondContact O-N 2.86Å; F427-F430 WeakPolarHBondContact O-CB 3.24Å; F427-F430 PolarHBondContact O-N 3.49Å; I428-F430 VanDerWaalsContact C-N 3.31Å; I428-F430 PolarHBondContact O-N 3.39Å; F430-K433 PolarHBondContact O-N 3Å; F430-T434 WeakPolarHBondContact O-CB 3.37Å; F430-T434 PolarHBondContact O-N 3.11Å; F430-T434 PolarHBondContact O-OG1 2.93Å
431	M	79.5	Confident	79.7	Confident	35 Å²	35	69.7 Å²	69.7	17%	0.172	36%	0.356	C	S	.	.	H	α-helix	trans	-59.9	-48.5	174.1	-67.9	-71.4	-74.7	0	0	110.7	F427 I428 K433 T434 F435 I441 L457 I462	F427-M431 HydrophobicContact CD1-CG 4.37Å; F427-M431 HydrophobicContact CE1-CG 3.97Å; F427-M431 HydrophobicContact CE1-SD 4.48Å; F427-M431 HydrophobicContact CE2-CG 4.31Å; F427-M431 HydrophobicContact CE2-SD 4.32Å; F427-M431 HydrophobicContact CZ-CG 3.94Å; F427-M431 HydrophobicContact CZ-SD 3.94Å; F427-M431 VanDerWaalsContact O-CG 3.29Å; F427-M431 WeakPolarHBondContact O-CG 3.16Å; F427-M431 PolarHBondContact O-N 3.47Å; I428-M431 WeakPolarHBondContact O-CB 3.05Å; I428-M431 PolarHBondContact O-N 2.94Å; M431-K433 VanDerWaalsContact C-N 3.34Å; M431-K433 PolarHBondContact O-N 2.88Å; M431-T434 PolarHBondContact O-N 3.02Å; M431-T434 VanDerWaalsContact O-N 3.17Å; M431-F435 PolarHBondContact O-N 3Å; M431-I441 HydrophobicContact CB-CD1 4.29Å; M431-I441 HydrophobicContact CE-CD1 4Å; M431-I441 HydrophobicContact CE-CG2 3.73Å; M431-I441 WeakPolarHBondContact O-CD1 3.17Å; M431-I441 HydrophobicContact SD-CD1 4.31Å; M431-L457 HydrophobicContact CE-CD2 4.08Å; M431-I462 HydrophobicContact CB-CD1 4.5Å; M431-I462 HydrophobicContact CB-CG2 4.31Å
432	K	77.3	Confident	79.2	Confident	60 Å²	60	76.1 Å²	76.1	26%	0.261	38%	0.383	S	S	.	.	H	α-helix	trans	-56.8	-46.3	176.1	-177.4	176.4	175.6	-175.9	0	112.4	I428 C429 T434 F435 L436 I459 I462 E466	I428-K432 PolarHBondContact O-N 3.38Å; C429-K432 PolarHBondContact O-N 3.42Å; K432-T434 VanDerWaalsContact C-N 3.34Å; K432-T434 PolarHBondContact O-N 3.29Å; K432-F435 PolarHBondContact O-N 3.49Å; K432-L436 HydrophobicContact CG-CD1 4.26Å; K432-L436 WeakPolarHBondContact O-CG 3.47Å; K432-L436 PolarHBondContact O-N 2.99Å; K432-I459 HydrophobicContact CG-CD1 4.5Å; K432-I462 HydrophobicContact CB-CG2 3.78Å; K432-E466 WeakPolarHBondContact CD-OE2 3.49Å; K432-E466 WeakPolarHBondContact CE-OE2 3.37Å; K432-E466 IonicContact NZ-OE1 2.9Å; K432-E466 PolarHBondContact NZ-OE1 3.39Å; K432-E466 IonicContact NZ-OE2 2.57Å; K432-E466 PolarHBondContact NZ-OE2 2.88Å
433	K	81.1	Confident	78.3	Confident	129 Å²	129	75.7 Å²	75.7	56%	0.561	38%	0.381	S	S	*	.	H	α-helix	trans	-61.4	-42.9	177.5	-174.8	178.6	179	-179.5	0	111.8	C429 F430 M431 L436 Q437	C429-K433 WeakPolarHBondContact O-CB 3.19Å; C429-K433 PolarHBondContact O-N 2.95Å; F430-K433 PolarHBondContact O-N 3Å; M431-K433 VanDerWaalsContact C-N 3.34Å; M431-K433 PolarHBondContact O-N 2.88Å; K433-L436 PolarHBondContact O-N 2.89Å; K433-Q437 WeakPolarHBondContact O-CG 3.46Å; K433-Q437 PolarHBondContact O-N 3.1Å; K433-Q437 VanDerWaalsContact O-N 3.11Å
434	T	77.9	Confident	77.3	Confident	22 Å²	22	78.1 Å²	78.1	14%	0.135	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-43.2	177.7	-54.7	0	0	0	0	110.8	F430 M431 K432 L436 Q437 Q438 I441	F430-T434 WeakPolarHBondContact O-CB 3.37Å; F430-T434 PolarHBondContact O-N 3.11Å; F430-T434 PolarHBondContact O-OG1 2.93Å; M431-T434 PolarHBondContact O-N 3.02Å; M431-T434 VanDerWaalsContact O-N 3.17Å; K432-T434 VanDerWaalsContact C-N 3.34Å; K432-T434 PolarHBondContact O-N 3.29Å; T434-L436 PolarHBondContact O-N 3.05Å; T434-Q437 PolarHBondContact O-N 2.91Å; T434-Q438 HydrophobicContact CG2-CG 4.41Å; T434-Q438 WeakPolarHBondContact O-CB 3.39Å; T434-Q438 PolarHBondContact O-N 2.74Å; T434-I441 HydrophobicContact CG2-CD1 4.41Å; T434-I441 HydrophobicContact CG2-CG1 4.45Å
435	F	78	Confident	76.1	Confident	39 Å²	39	80 Å²	80	17%	0.171	40%	0.4	C	S	.	.	H	α-helix	trans	-61.4	-45.2	175.4	-171.6	-79.4	0	0	0	111.5	M431 K432 Q437 Q438 S439 I441 I459 I462	M431-F435 PolarHBondContact O-N 3Å; K432-F435 PolarHBondContact O-N 3.49Å; F435-Q437 PolarHBondContact O-N 3.07Å; F435-Q438 PolarHBondContact O-N 2.91Å; F435-S439 WeakPolarHBondContact CZ-O 3.31Å; F435-S439 WeakPolarHBondContact O-CA 3.42Å; F435-S439 PolarHBondContact O-N 2.91Å; F435-I441 HydrophobicContact CB-CD1 3.74Å; F435-I441 HydrophobicContact CB-CG1 4Å; F435-I441 HydrophobicContact CD2-CB 4.4Å; F435-I441 HydrophobicContact CD2-CD1 4.4Å; F435-I441 HydrophobicContact CD2-CG1 4.06Å; F435-I459 HydrophobicContact CB-CD1 4.11Å; F435-I459 HydrophobicContact CD1-CB 3.99Å; F435-I459 HydrophobicContact CD1-CD1 3.51Å; F435-I459 HydrophobicContact CD1-CG1 3.92Å; F435-I459 HydrophobicContact CE1-CB 3.61Å; F435-I459 HydrophobicContact CE1-CD1 4.05Å; F435-I459 HydrophobicContact CE1-CG1 3.92Å; F435-I459 HydrophobicContact CE1-CG2 4.24Å; F435-I459 HydrophobicContact CE2-CB 4.16Å; F435-I459 HydrophobicContact CG-CB 4.43Å; F435-I459 HydrophobicContact CG-CD1 3.79Å; F435-I459 HydrophobicContact CZ-CB 3.71Å; F435-I459 HydrophobicContact CZ-CG2 4.27Å; F435-I462 HydrophobicContact CB-CD1 4.24Å; F435-I462 HydrophobicContact CD2-CD1 4.3Å; F435-I462 HydrophobicContact CG-CD1 4.49Å
436	L	78.9	Confident	74.7	Confident	124 Å²	124	81.7 Å²	81.7	65%	0.649	41%	0.412	S	S	*	.	H	α-helix	trans	-62.9	-27.9	178.2	-70.3	171.8	0	0	0	112.9	K432 K433 T434	K432-L436 HydrophobicContact CG-CD1 4.26Å; K432-L436 WeakPolarHBondContact O-CG 3.47Å; K432-L436 PolarHBondContact O-N 2.99Å; K433-L436 PolarHBondContact O-N 2.89Å; T434-L436 PolarHBondContact O-N 3.05Å
437	Q	78.7	Confident	73.3	Confident	137 Å²	137	80.7 Å²	80.7	64%	0.64	41%	0.406	S	S	*	.	H	α-helix	trans	-84.3	-40.4	177.6	-72.1	178.6	-21.3	0	0	113.3	K433 T434 F435	K433-Q437 WeakPolarHBondContact O-CG 3.46Å; K433-Q437 PolarHBondContact O-N 3.1Å; K433-Q437 VanDerWaalsContact O-N 3.11Å; T434-Q437 PolarHBondContact O-N 2.91Å; F435-Q437 PolarHBondContact O-N 3.07Å
438	Q	79.6	Confident	71.7	Confident	127 Å²	127	78.6 Å²	78.6	59%	0.593	40%	0.404	S	S	*	.	H	α-helix	trans	-101.1	-5.9	-173.1	-63.6	-176.1	-7.7	0	0	113.6	T434 F435 T440	T434-Q438 HydrophobicContact CG2-CG 4.41Å; T434-Q438 WeakPolarHBondContact O-CB 3.39Å; T434-Q438 PolarHBondContact O-N 2.74Å; F435-Q438 PolarHBondContact O-N 2.91Å; Q438-T440 PolarHBondContact O-N 3.32Å
439	S	76.1	Confident	70.3	Confident	89 Å²	89	79.1 Å²	79.1	62%	0.622	41%	0.409	S	S	*	.	S	Bend	trans	58.6	-5.8	-172.2	-52.8	0	0	0	0	115.7	F435	F435-S439 WeakPolarHBondContact CZ-O 3.31Å; F435-S439 WeakPolarHBondContact O-CA 3.42Å; F435-S439 PolarHBondContact O-N 2.91Å
440	T	74	Confident	68.5	Low	50 Å²	50	82 Å²	82	31%	0.307	42%	0.421	S	S	.	.			trans	-149	148.6	-180	63.1	0	0	0	0	109.7	Q438	Q438-T440 PolarHBondContact O-N 3.32Å
441	I	71.3	Confident	66.6	Low	17 Å²	17	83.4 Å²	83.4	9%	0.087	43%	0.434	C	S	.	.			trans	-128.4	121.1	166.1	-69.2	-178.9	0	0	0	107	M431 T434 F435 E456 L457 I462	M431-I441 HydrophobicContact CB-CD1 4.29Å; M431-I441 HydrophobicContact CE-CD1 4Å; M431-I441 HydrophobicContact CE-CG2 3.73Å; M431-I441 WeakPolarHBondContact O-CD1 3.17Å; M431-I441 HydrophobicContact SD-CD1 4.31Å; T434-I441 HydrophobicContact CG2-CD1 4.41Å; T434-I441 HydrophobicContact CG2-CG1 4.45Å; F435-I441 HydrophobicContact CB-CD1 3.74Å; F435-I441 HydrophobicContact CB-CG1 4Å; F435-I441 HydrophobicContact CD2-CB 4.4Å; F435-I441 HydrophobicContact CD2-CD1 4.4Å; F435-I441 HydrophobicContact CD2-CG1 4.06Å; I441-E456 CarbonylContact O-C 3.45Å; I441-E456 VanDerWaalsContact O-CA 3.32Å; I441-E456 WeakPolarHBondContact O-CA 3.13Å; I441-L457 HydrophobicContact CB-CB 4.38Å; I441-L457 HydrophobicContact CG2-CB 4.39Å; I441-L457 PolarHBondContact O-N 3.38Å; I441-I462 HydrophobicContact CD1-CD1 4.08Å
442	K	70.3	Confident	64.7	Low	138 Å²	138	82.6 Å²	82.6	60%	0.6	43%	0.432	S	S	*	.	B	Isolated β-bridge	trans	-100.2	132.5	177.4	-66.5	-178.9	-178	-177.1	0	110.1	N455 E456	K442-N455 CarbonylContact C-O 3.55Å; K442-N455 VanDerWaalsContact CA-O 3.32Å; K442-N455 WeakPolarHBondContact CA-O 3.27Å; K442-N455 HydrophobicContact CB-CB 4.47Å; K442-E456 HydrophobicContact CD-CG 4.5Å; K442-E456 WeakPolarHBondContact CE-OE1 3.45Å; K442-E456 HydrophobicContact CG-CG 3.85Å; K442-E456 IonicContact NZ-OE1 3.67Å
443	L	65.5	Low	63.4	Low	42 Å²	42	84.5 Å²	84.5	22%	0.22	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-62.4	138.2	167.3	-69.2	169.4	0	0	0	108.9	I447 T449 N455 L457	L443-I447 HydrophobicContact CB-CD1 4.28Å; L443-I447 HydrophobicContact CD2-CD1 3.89Å; L443-T449 HydrophobicContact CD1-CG2 4.32Å; L443-N455 PolarHBondContact N-O 2.76Å; L443-L457 HydrophobicContact CD1-CD1 4.37Å; L443-L457 HydrophobicContact CD2-CD1 4.18Å; L443-L457 HydrophobicContact CG-CD1 4.33Å
444	H	60.7	Low	62.3	Low	107 Å²	107	79.1 Å²	79.1	50%	0.495	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-57.1	138.8	174.6	-168.5	-86.9	0	0	0	109.5	D446 I447	H444-D446 VanDerWaalsContact CE1-CG 3.42Å; H444-D446 IonicContact CE1-OD1 3.68Å; H444-D446 IonicContact CE1-OD2 2.63Å; H444-D446 PolarHBondContact CE1-OD2 3.44Å; H444-D446 WeakPolarHBondContact ND1-CB 3.38Å; H444-D446 PolarHBondContact ND1-N 3.48Å; H444-D446 IonicContact ND1-OD2 2.65Å; H444-D446 PolarHBondContact ND1-OD2 3.31Å; H444-D446 PolarHBondContact O-N 3.08Å; H444-D446 VanDerWaalsContact O-N 3.12Å; H444-I447 HydrophobicContact CB-CD1 4.09Å; H444-I447 HydrophobicContact CB-CG1 4.18Å; H444-I447 VanDerWaalsContact O-CB 3.29Å; H444-I447 WeakPolarHBondContact O-CB 3.35Å; H444-I447 PolarHBondContact O-N 2.87Å
445	P	56.5	Low	61.5	Low	98 Å²	98	80.5 Å²	80.5	64%	0.636	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.1	-176.9	20.3	-32.7	0	0	0	113.9	I447	P445-I447 PolarHBondContact O-N 3.27Å
446	D	51.5	Low	60.9	Low	89 Å²	89	81.9 Å²	81.9	48%	0.476	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.2	175	-60.7	-11.5	0	0	0	113.9	L320 H444 P448	L320-D446 HydrophobicContact CD1-CB 4.36Å; L320-D446 HydrophobicContact CD2-CB 4.34Å; H444-D446 VanDerWaalsContact CE1-CG 3.42Å; H444-D446 IonicContact CE1-OD1 3.68Å; H444-D446 IonicContact CE1-OD2 2.63Å; H444-D446 PolarHBondContact CE1-OD2 3.44Å; H444-D446 WeakPolarHBondContact ND1-CB 3.38Å; H444-D446 PolarHBondContact ND1-N 3.48Å; H444-D446 IonicContact ND1-OD2 2.65Å; H444-D446 PolarHBondContact ND1-OD2 3.31Å; H444-D446 PolarHBondContact O-N 3.08Å; H444-D446 VanDerWaalsContact O-N 3.12Å; D446-P448 VanDerWaalsContact O-CD 3.3Å; D446-P448 WeakPolarHBondContact O-CD 3.47Å
447	I	53.9	Low	60.4	Low	80 Å²	80	77.8 Å²	77.8	41%	0.41	42%	0.423	S	S	.	.	S	Bend	trans	-79	113.3	172	-59.2	173.5	0	0	0	106.3	L443 H444 P445 T449	L443-I447 HydrophobicContact CB-CD1 4.28Å; L443-I447 HydrophobicContact CD2-CD1 3.89Å; H444-I447 HydrophobicContact CB-CD1 4.09Å; H444-I447 HydrophobicContact CB-CG1 4.18Å; H444-I447 VanDerWaalsContact O-CB 3.29Å; H444-I447 WeakPolarHBondContact O-CB 3.35Å; H444-I447 PolarHBondContact O-N 2.87Å; P445-I447 PolarHBondContact O-N 3.27Å; I447-T449 PolarHBondContact O-N 2.97Å
448	P	51.4	Low	60	Low	74 Å²	74	74 Å²	74	48%	0.481	41%	0.411	S	S	.	.			trans	-68.7	108.6	-169.9	-13.3	26.5	0	0	0	110.2	D446 K621	D446-P448 VanDerWaalsContact O-CD 3.3Å; D446-P448 WeakPolarHBondContact O-CD 3.47Å; P448-K621 VanDerWaalsContact CB-NZ 3.34Å; P448-K621 VanDerWaalsContact CG-NZ 3.31Å
449	T	49.7	Very low	59.8	Low	37 Å²	37	69.9 Å²	69.9	23%	0.227	39%	0.393	C	S	.	.			trans	-94.1	91.6	169.4	53.5	0	0	0	0	107.5	L443 I447 N451 N455	L443-T449 HydrophobicContact CD1-CG2 4.32Å; I447-T449 PolarHBondContact O-N 2.97Å; T449-N451 VanDerWaalsContact C-N 3.33Å; T449-N451 PolarHBondContact O-N 3.1Å; T449-N455 PolarHBondContact OG1-OD1 3.11Å
450	N	44.3	Very low	59.6	Low	100 Å²	100	69 Å²	69	54%	0.535	38%	0.381	S	S	.	.	S	Bend	trans	-73	92.8	176	-75.2	2.1	0	0	0	108.2	E614	N450-E614 VanDerWaalsContact O-OE2 3.09Å
451	N	43.2	Very low	59.6	Low	158 Å²	158	67.6 Å²	67.6	85%	0.845	37%	0.371	S	S	*	.	S	Bend	trans	80.9	40.6	165.5	-55	-19.4	0	0	0	119.3	T449	T449-N451 VanDerWaalsContact C-N 3.33Å; T449-N451 PolarHBondContact O-N 3.1Å
452	C	39.5	Very low	59.9	Low	17 Å²	17	67 Å²	67	12%	0.115	37%	0.368	C	S	.	.			trans	-109.6	140.5	162.6	-163.7	0	0	0	0	111.6	S454 I610	C452-S454 PolarHBondContact O-N 3.21Å; C452-S454 PolarHBondContact SG-O 3.45Å; C452-I610 WeakPolarHBondContact SG-CG1 3.35Å
453	S	49.9	Very low	60.2	Low	101 Å²	101	63.1 Å²	63.1	71%	0.706	35%	0.353	S	S	*	.	S	Bend	trans	-70.1	-16.7	174.2	47.6	0	0	0	0	113
454	S	56.4	Low	60.8	Low	16 Å²	16	63 Å²	63	11%	0.112	35%	0.353	C	S	.	.			trans	-125.2	129	175.8	65.8	0	0	0	0	112.3	C452 E456 C608	C452-S454 PolarHBondContact O-N 3.21Å; C452-S454 PolarHBondContact SG-O 3.45Å; S454-E456 PolarHBondContact O-N 2.84Å; S454-C608 PolarHBondContact OG-SG 2.7Å; S454-C608 VanDerWaalsContact OG-SG 3.34Å
455	N	62.4	Low	61.8	Low	51 Å²	51	59 Å²	59	27%	0.273	33%	0.334	S	S	.	.			trans	-80.9	9.2	169.6	-75.7	-1.8	0	0	0	112.1	K442 L443 T449	K442-N455 CarbonylContact C-O 3.55Å; K442-N455 VanDerWaalsContact CA-O 3.32Å; K442-N455 WeakPolarHBondContact CA-O 3.27Å; K442-N455 HydrophobicContact CB-CB 4.47Å; L443-N455 PolarHBondContact N-O 2.76Å; T449-N455 PolarHBondContact OG1-OD1 3.11Å
456	E	65.5	Low	63	Low	68 Å²	68	55.7 Å²	55.7	32%	0.318	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-83.8	133.1	-171.7	-69.5	178.2	-175.4	0	0	111.3	I441 K442 S454	I441-E456 CarbonylContact O-C 3.45Å; I441-E456 VanDerWaalsContact O-CA 3.32Å; I441-E456 WeakPolarHBondContact O-CA 3.13Å; K442-E456 HydrophobicContact CD-CG 4.5Å; K442-E456 WeakPolarHBondContact CE-OE1 3.45Å; K442-E456 HydrophobicContact CG-CG 3.85Å; K442-E456 IonicContact NZ-OE1 3.67Å; S454-E456 PolarHBondContact O-N 2.84Å
457	L	67.1	Low	64.4	Low	37 Å²	37	55.8 Å²	55.8	19%	0.194	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-84.8	122.3	177	-153.2	83.7	0	0	0	109.4	M431 I441 L443 L461 I462	M431-L457 HydrophobicContact CE-CD2 4.08Å; I441-L457 HydrophobicContact CB-CB 4.38Å; I441-L457 HydrophobicContact CG2-CB 4.39Å; I441-L457 PolarHBondContact O-N 3.38Å; L443-L457 HydrophobicContact CD1-CD1 4.37Å; L443-L457 HydrophobicContact CD2-CD1 4.18Å; L443-L457 HydrophobicContact CG-CD1 4.33Å; L457-L461 HydrophobicContact CD1-CD2 4.47Å; L457-I462 HydrophobicContact CD2-CD1 4Å; L457-I462 HydrophobicContact CD2-CG1 3.72Å
458	P	71.5	Confident	65.7	Low	57 Å²	57	52.3 Å²	52.3	37%	0.37	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-63	136.3	177.4	-22.3	33.2	0	0	0	112	D460 L461 I462	P458-D460 VanDerWaalsContact C-N 3.28Å; P458-D460 PolarHBondContact O-N 3.49Å; P458-L461 HydrophobicContact CB-CB 4.47Å; P458-L461 WeakPolarHBondContact O-CB 3.39Å; P458-L461 PolarHBondContact O-N 3.47Å; P458-I462 PolarHBondContact O-N 3.25Å
459	I	75.8	Confident	67.4	Low	42 Å²	42	50.1 Å²	50.1	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-36.2	177	-175	59.4	0	0	0	112.3	K432 F435 L461 I462 I463	K432-I459 HydrophobicContact CG-CD1 4.5Å; F435-I459 HydrophobicContact CB-CD1 4.11Å; F435-I459 HydrophobicContact CD1-CB 3.99Å; F435-I459 HydrophobicContact CD1-CD1 3.51Å; F435-I459 HydrophobicContact CD1-CG1 3.92Å; F435-I459 HydrophobicContact CE1-CB 3.61Å; F435-I459 HydrophobicContact CE1-CD1 4.05Å; F435-I459 HydrophobicContact CE1-CG1 3.92Å; F435-I459 HydrophobicContact CE1-CG2 4.24Å; F435-I459 HydrophobicContact CE2-CB 4.16Å; F435-I459 HydrophobicContact CG-CB 4.43Å; F435-I459 HydrophobicContact CG-CD1 3.79Å; F435-I459 HydrophobicContact CZ-CB 3.71Å; F435-I459 HydrophobicContact CZ-CG2 4.27Å; I459-L461 PolarHBondContact O-N 3.03Å; I459-I462 HydrophobicContact CD1-CB 4.49Å; I459-I462 HydrophobicContact CD1-CD1 4.37Å; I459-I462 WeakPolarHBondContact O-CB 3.36Å; I459-I462 PolarHBondContact O-N 3.42Å; I459-I463 HydrophobicContact CD1-CD1 4.41Å; I459-I463 HydrophobicContact CD1-CG1 4.39Å; I459-I463 HydrophobicContact CG1-CD1 3.86Å; I459-I463 HydrophobicContact CG1-CG1 4.3Å; I459-I463 WeakPolarHBondContact O-CG1 3.3Å; I459-I463 PolarHBondContact O-N 3.35Å
460	D	72.1	Confident	69	Low	70 Å²	70	50.6 Å²	50.6	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-35.9	179.5	-63.8	-35.3	0	0	0	111.9	P458 I463 N464 I604	P458-D460 VanDerWaalsContact C-N 3.28Å; P458-D460 PolarHBondContact O-N 3.49Å; D460-I463 PolarHBondContact O-N 3.28Å; D460-N464 WeakPolarHBondContact O-CB 3.42Å; D460-N464 PolarHBondContact O-N 2.85Å; D460-N464 PolarHBondContact O-ND2 3.24Å; D460-I604 VanDerWaalsContact OD2-CD1 3.3Å; D460-I604 WeakPolarHBondContact OD2-CD1 3.35Å
461	L	73.9	Confident	71	Confident	21 Å²	21	49 Å²	49	11%	0.11	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-45.7	175	-173	64.7	0	0	0	110.8	L457 P458 I459 I463 N464 Y465 T597 F615	L457-L461 HydrophobicContact CD1-CD2 4.47Å; P458-L461 HydrophobicContact CB-CB 4.47Å; P458-L461 WeakPolarHBondContact O-CB 3.39Å; P458-L461 PolarHBondContact O-N 3.47Å; I459-L461 PolarHBondContact O-N 3.03Å; L461-I463 VanDerWaalsContact C-N 3.31Å; L461-I463 PolarHBondContact O-N 2.98Å; L461-N464 PolarHBondContact O-N 3.49Å; L461-Y465 HydrophobicContact CD1-CD2 3.97Å; L461-Y465 HydrophobicContact CD1-CE2 3.58Å; L461-Y465 HydrophobicContact CD2-CE2 4.4Å; L461-Y465 HydrophobicContact CG-CD2 3.92Å; L461-Y465 HydrophobicContact CG-CE2 3.81Å; L461-Y465 VanDerWaalsContact O-CD2 3.24Å; L461-Y465 WeakPolarHBondContact O-CD2 3.36Å; L461-Y465 PolarHBondContact O-N 3.08Å; L461-T597 HydrophobicContact CD1-CG2 4.49Å; L461-F615 HydrophobicContact CD1-CE2 4.05Å; L461-F615 HydrophobicContact CD1-CZ 4.01Å; L461-F615 HydrophobicContact CD2-CE2 4.38Å
462	I	76	Confident	73.1	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-44.7	177.4	-56.5	174.9	0	0	0	110.1	I428 M431 K432 F435 I441 L457 P458 I459 Y465 E466	I428-I462 HydrophobicContact CG2-CG2 4.06Å; I428-I462 WeakPolarHBondContact CG2-O 3.24Å; M431-I462 HydrophobicContact CB-CD1 4.5Å; M431-I462 HydrophobicContact CB-CG2 4.31Å; K432-I462 HydrophobicContact CB-CG2 3.78Å; F435-I462 HydrophobicContact CB-CD1 4.24Å; F435-I462 HydrophobicContact CD2-CD1 4.3Å; F435-I462 HydrophobicContact CG-CD1 4.49Å; I441-I462 HydrophobicContact CD1-CD1 4.08Å; L457-I462 HydrophobicContact CD2-CD1 4Å; L457-I462 HydrophobicContact CD2-CG1 3.72Å; P458-I462 PolarHBondContact O-N 3.25Å; I459-I462 HydrophobicContact CD1-CB 4.49Å; I459-I462 HydrophobicContact CD1-CD1 4.37Å; I459-I462 WeakPolarHBondContact O-CB 3.36Å; I459-I462 PolarHBondContact O-N 3.42Å; I462-Y465 PolarHBondContact O-N 3.3Å; I462-E466 PolarHBondContact O-N 2.76Å
463	I	78	Confident	75.3	Confident	55 Å²	55	41.8 Å²	41.8	28%	0.282	23%	0.23	S	C	.	.	H	α-helix	trans	-64.2	-44.4	178.4	-67.5	170.2	0	0	0	111.2	I459 D460 L461 Y465 E466 I467	I459-I463 HydrophobicContact CD1-CD1 4.41Å; I459-I463 HydrophobicContact CD1-CG1 4.39Å; I459-I463 HydrophobicContact CG1-CD1 3.86Å; I459-I463 HydrophobicContact CG1-CG1 4.3Å; I459-I463 WeakPolarHBondContact O-CG1 3.3Å; I459-I463 PolarHBondContact O-N 3.35Å; D460-I463 PolarHBondContact O-N 3.28Å; L461-I463 VanDerWaalsContact C-N 3.31Å; L461-I463 PolarHBondContact O-N 2.98Å; I463-Y465 PolarHBondContact O-N 3.13Å; I463-E466 WeakPolarHBondContact O-CB 3.43Å; I463-E466 PolarHBondContact O-N 3.19Å; I463-I467 HydrophobicContact CG2-CD1 3.87Å; I463-I467 WeakPolarHBondContact O-CG1 3.27Å; I463-I467 PolarHBondContact O-N 3.46Å
464	N	78.6	Confident	77	Confident	40 Å²	40	40.9 Å²	40.9	21%	0.214	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-44.6	177.7	-76	-20.4	0	0	0	111.4	D460 L461 E466 I467 A468 C593 T597	D460-N464 WeakPolarHBondContact O-CB 3.42Å; D460-N464 PolarHBondContact O-N 2.85Å; D460-N464 PolarHBondContact O-ND2 3.24Å; L461-N464 PolarHBondContact O-N 3.49Å; N464-E466 PolarHBondContact O-N 3.43Å; N464-I467 PolarHBondContact O-N 2.8Å; N464-A468 PolarHBondContact O-N 2.91Å; N464-C593 HydrophobicContact CB-CB 4.08Å; N464-C593 PolarHBondContact O-SG 3.13Å; N464-T597 PolarHBondContact ND2-OG1 2.87Å
465	Y	81.4	Confident	78.5	Confident	23 Å²	23	42.3 Å²	42.3	9%	0.09	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-41.6	174.4	-86.2	-72.5	0	0	0	112.4	L461 I462 I463 I467 A468 F469 V590 L622	L461-Y465 HydrophobicContact CD1-CD2 3.97Å; L461-Y465 HydrophobicContact CD1-CE2 3.58Å; L461-Y465 HydrophobicContact CD2-CE2 4.4Å; L461-Y465 HydrophobicContact CG-CD2 3.92Å; L461-Y465 HydrophobicContact CG-CE2 3.81Å; L461-Y465 VanDerWaalsContact O-CD2 3.24Å; L461-Y465 WeakPolarHBondContact O-CD2 3.36Å; L461-Y465 PolarHBondContact O-N 3.08Å; I462-Y465 PolarHBondContact O-N 3.3Å; I463-Y465 PolarHBondContact O-N 3.13Å; Y465-I467 PolarHBondContact O-N 3.4Å; Y465-A468 PolarHBondContact O-N 3.07Å; Y465-F469 HydrophobicContact CD1-CE2 4.23Å; Y465-F469 VanDerWaalsContact O-CD2 3.29Å; Y465-F469 WeakPolarHBondContact O-CD2 3.29Å; Y465-F469 PolarHBondContact O-N 2.85Å; Y465-V590 HydrophobicContact CE1-CG1 4.04Å; Y465-V590 HydrophobicContact CE1-CG2 4.21Å; Y465-L622 VanDerWaalsContact OH-CD2 3.3Å; Y465-L622 WeakPolarHBondContact OH-CD2 3.32Å
466	E	80.6	Confident	79.7	Confident	29 Å²	29	40 Å²	40	14%	0.136	21%	0.206	C	C	.	.	H	α-helix	trans	-57.3	-49.1	175.8	-171.4	-178.9	-154	0	0	110.8	I428 K432 I462 I463 N464 A468 F469 D470	I428-E466 HydrophobicContact CG2-CB 3.91Å; K432-E466 WeakPolarHBondContact CD-OE2 3.49Å; K432-E466 WeakPolarHBondContact CE-OE2 3.37Å; K432-E466 IonicContact NZ-OE1 2.9Å; K432-E466 PolarHBondContact NZ-OE1 3.39Å; K432-E466 IonicContact NZ-OE2 2.57Å; K432-E466 PolarHBondContact NZ-OE2 2.88Å; I462-E466 PolarHBondContact O-N 2.76Å; I463-E466 WeakPolarHBondContact O-CB 3.43Å; I463-E466 PolarHBondContact O-N 3.19Å; N464-E466 PolarHBondContact O-N 3.43Å; E466-A468 VanDerWaalsContact C-N 3.34Å; E466-A468 PolarHBondContact O-N 2.67Å; E466-F469 PolarHBondContact O-N 3.3Å; E466-D470 PolarHBondContact O-N 2.8Å
467	I	81.6	Confident	80.7	Confident	91 Å²	91	39.4 Å²	39.4	47%	0.467	21%	0.205	S	C	.	.	H	α-helix	trans	-60.7	-41	177	-66.6	162.8	0	0	0	111.5	I463 N464 Y465 D470 T471	I463-I467 HydrophobicContact CG2-CD1 3.87Å; I463-I467 WeakPolarHBondContact O-CG1 3.27Å; I463-I467 PolarHBondContact O-N 3.46Å; N464-I467 PolarHBondContact O-N 2.8Å; Y465-I467 PolarHBondContact O-N 3.4Å; I467-D470 PolarHBondContact O-N 3.31Å; I467-T471 WeakPolarHBondContact O-CB 3.45Å; I467-T471 PolarHBondContact O-N 3.31Å; I467-T471 PolarHBondContact O-OG1 2.78Å
468	A	81.7	Confident	81.5	Confident	6 Å²	6	40.2 Å²	40.2	5%	0.05	21%	0.209	C	C	.	.	H	α-helix	trans	-64.3	-43.7	176.1	0	0	0	0	0	112.4	N464 Y465 E466 T471 L472 L589 C593	N464-A468 PolarHBondContact O-N 2.91Å; Y465-A468 PolarHBondContact O-N 3.07Å; E466-A468 VanDerWaalsContact C-N 3.34Å; E466-A468 PolarHBondContact O-N 2.67Å; A468-T471 PolarHBondContact O-N 3.05Å; A468-L472 VanDerWaalsContact O-CB 3.31Å; A468-L472 WeakPolarHBondContact O-CB 3.3Å; A468-L472 PolarHBondContact O-N 3.14Å; A468-L589 HydrophobicContact CB-CB 4.03Å; A468-C593 WeakPolarHBondContact CB-SG 3.36Å
469	F	86.3	Confident	82.2	Confident	29 Å²	29	40.4 Å²	40.4	13%	0.127	21%	0.206	C	C	.	.	H	α-helix	trans	-68.6	-36.1	177.4	-85.7	-77.8	0	0	0	112.1	I421 H424 K425 I428 Y465 E466 L472 I473	I421-F469 HydrophobicContact CG2-CD1 4.13Å; H424-F469 HydrophobicContact CB-CD1 4.04Å; H424-F469 HydrophobicContact CB-CE1 3.4Å; H424-F469 HydrophobicContact CB-CE2 4.33Å; H424-F469 HydrophobicContact CB-CZ 3.57Å; K425-F469 HydrophobicContact CB-CB 4.14Å; I428-F469 HydrophobicContact CG1-CD2 4.31Å; I428-F469 HydrophobicContact CG1-CE2 4.45Å; Y465-F469 HydrophobicContact CD1-CE2 4.23Å; Y465-F469 VanDerWaalsContact O-CD2 3.29Å; Y465-F469 WeakPolarHBondContact O-CD2 3.29Å; Y465-F469 PolarHBondContact O-N 2.85Å; E466-F469 PolarHBondContact O-N 3.3Å; F469-L472 HydrophobicContact CD1-CD2 4.35Å; F469-L472 HydrophobicContact CE1-CD2 4.39Å; F469-L472 PolarHBondContact O-N 2.9Å; F469-I473 WeakPolarHBondContact O-CB 3.37Å; F469-I473 WeakPolarHBondContact O-CD1 3.44Å; F469-I473 VanDerWaalsContact O-CG1 3.24Å; F469-I473 WeakPolarHBondContact O-CG1 3.3Å; F469-I473 PolarHBondContact O-N 3.45Å
470	D	84.4	Confident	82.8	Confident	47 Å²	47	38.5 Å²	38.5	25%	0.251	20%	0.197	S	C	.	.	H	α-helix	trans	-60.3	-48.3	170.4	-78.9	-26.4	0	0	0	111.5	K425 E466 I467 L472 I473 H474	K425-D470 WeakPolarHBondContact CD-OD1 3.44Å; K425-D470 WeakPolarHBondContact CE-OD1 3.38Å; K425-D470 IonicContact NZ-OD1 2.86Å; K425-D470 PolarHBondContact NZ-OD1 3.29Å; E466-D470 PolarHBondContact O-N 2.8Å; I467-D470 PolarHBondContact O-N 3.31Å; D470-L472 VanDerWaalsContact C-N 3.28Å; D470-L472 PolarHBondContact O-N 2.9Å; D470-I473 PolarHBondContact O-N 3.01Å; D470-H474 PolarHBondContact O-CD2 2.95Å; D470-H474 PolarHBondContact O-N 2.57Å
471	T	85.5	Confident	83.5	Confident	65 Å²	65	37.9 Å²	37.9	40%	0.399	19%	0.192	S	C	.	.	H	α-helix	trans	-60.8	-39.5	176.6	-55.3	0	0	0	0	111.4	I467 A468 H474 Y475 L589	I467-T471 WeakPolarHBondContact O-CB 3.45Å; I467-T471 PolarHBondContact O-N 3.31Å; I467-T471 PolarHBondContact O-OG1 2.78Å; A468-T471 PolarHBondContact O-N 3.05Å; T471-H474 PolarHBondContact O-N 3.15Å; T471-Y475 WeakPolarHBondContact O-CB 3.35Å; T471-Y475 PolarHBondContact O-N 3.5Å; T471-L589 HydrophobicContact CG2-CD1 4.05Å; T471-L589 HydrophobicContact CG2-CD2 3.8Å
472	L	86	Confident	84.2	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-68	-37.8	177.5	-177	60.2	0	0	0	112	I421 A468 F469 D470 Y475 M476 L582 A586 L589	I421-L472 HydrophobicContact CD1-CD2 4.16Å; I421-L472 HydrophobicContact CD1-CG 4.17Å; I421-L472 HydrophobicContact CG1-CD2 4.12Å; I421-L472 HydrophobicContact CG2-CD2 4.06Å; I421-L472 HydrophobicContact CG2-CG 4.21Å; A468-L472 VanDerWaalsContact O-CB 3.31Å; A468-L472 WeakPolarHBondContact O-CB 3.3Å; A468-L472 PolarHBondContact O-N 3.14Å; F469-L472 HydrophobicContact CD1-CD2 4.35Å; F469-L472 HydrophobicContact CE1-CD2 4.39Å; F469-L472 PolarHBondContact O-N 2.9Å; D470-L472 VanDerWaalsContact C-N 3.28Å; D470-L472 PolarHBondContact O-N 2.9Å; L472-Y475 PolarHBondContact O-N 3.45Å; L472-M476 VanDerWaalsContact O-CB 3.25Å; L472-M476 WeakPolarHBondContact O-CB 3.43Å; L472-M476 PolarHBondContact O-N 3.15Å; L472-L582 HydrophobicContact CD1-CD1 3.79Å; L472-A586 HydrophobicContact CD1-CB 3.86Å; L472-A586 HydrophobicContact CD2-CB 3.61Å; L472-A586 HydrophobicContact CG-CB 4.41Å; L472-L589 HydrophobicContact CB-CD1 3.88Å; L472-L589 HydrophobicContact CD1-CD1 4.36Å
473	I	87.1	Confident	84.8	Confident	16 Å²	16	47.9 Å²	47.9	8%	0.082	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-45.4	174.5	-72.1	162.1	0	0	0	110.3	I421 L422 K425 F469 D470 Y475 M476 D477	I421-I473 HydrophobicContact CG2-CD1 4.31Å; I421-I473 HydrophobicContact CG2-CG1 3.55Å; L422-I473 HydrophobicContact CD2-CD1 3.79Å; L422-I473 HydrophobicContact CD2-CG1 4.31Å; K425-I473 HydrophobicContact CB-CD1 4.07Å; K425-I473 HydrophobicContact CD-CD1 3.24Å; K425-I473 HydrophobicContact CG-CD1 4.25Å; F469-I473 WeakPolarHBondContact O-CB 3.37Å; F469-I473 WeakPolarHBondContact O-CD1 3.44Å; F469-I473 VanDerWaalsContact O-CG1 3.24Å; F469-I473 WeakPolarHBondContact O-CG1 3.3Å; F469-I473 PolarHBondContact O-N 3.45Å; D470-I473 PolarHBondContact O-N 3.01Å; I473-Y475 VanDerWaalsContact C-N 3.34Å; I473-Y475 PolarHBondContact O-N 3.35Å; I473-M476 WeakPolarHBondContact O-CA 3.42Å; I473-M476 WeakPolarHBondContact O-CB 2.89Å; I473-M476 PolarHBondContact O-N 2.89Å; I473-M476 VanDerWaalsContact O-N 3.1Å; I473-D477 WeakPolarHBondContact CG2-OD2 3.48Å; I473-D477 PolarHBondContact O-N 3.48Å
474	H	86.2	Confident	85.3	Confident	83 Å²	83	45.4 Å²	45.4	38%	0.384	22%	0.218	S	C	.	.	H	α-helix	trans	-57.9	-46.4	173.2	-78.4	-66.2	0	0	0	111.5	D470 T471 M476 D477 D478	D470-H474 PolarHBondContact O-CD2 2.95Å; D470-H474 PolarHBondContact O-N 2.57Å; T471-H474 PolarHBondContact O-N 3.15Å; H474-M476 VanDerWaalsContact C-N 3.29Å; H474-M476 PolarHBondContact O-N 3.07Å; H474-D477 PolarHBondContact O-N 3.44Å; H474-D478 IonicContact ND1-OD2 2.65Å; H474-D478 VanDerWaalsContact O-CB 3.26Å; H474-D478 WeakPolarHBondContact O-CB 3.03Å; H474-D478 PolarHBondContact O-N 3.25Å
475	Y	86.5	Confident	85.7	Confident	46 Å²	46	45.7 Å²	45.7	18%	0.18	22%	0.223	C	C	.	.	I	π-helix	trans	-59.5	-42	174.6	-173.6	-82.9	0	0	0	111.8	T471 L472 I473 I479 Y480 L582 Q585	T471-Y475 WeakPolarHBondContact O-CB 3.35Å; T471-Y475 PolarHBondContact O-N 3.5Å; L472-Y475 PolarHBondContact O-N 3.45Å; I473-Y475 VanDerWaalsContact C-N 3.34Å; I473-Y475 PolarHBondContact O-N 3.35Å; Y475-I479 HydrophobicContact CD2-CB 4.29Å; Y475-I479 HydrophobicContact CD2-CD1 3.53Å; Y475-I479 HydrophobicContact CD2-CG1 4.4Å; Y475-I479 HydrophobicContact CE1-CG2 4.45Å; Y475-I479 HydrophobicContact CE2-CB 4.21Å; Y475-I479 HydrophobicContact CE2-CD1 3.68Å; Y475-I479 HydrophobicContact CE2-CG2 4.02Å; Y475-I479 HydrophobicContact CG-CB 4.48Å; Y475-I479 HydrophobicContact CG-CD1 4.34Å; Y475-I479 WeakPolarHBondContact O-CA 3.36Å; Y475-I479 WeakPolarHBondContact O-CB 3.23Å; Y475-I479 PolarHBondContact O-N 3.39Å; Y475-Y480 PolarHBondContact O-N 3.01Å; Y475-L582 HydrophobicContact CD1-CD1 3.59Å; Y475-L582 HydrophobicContact CE1-CB 4.42Å; Y475-L582 HydrophobicContact CE1-CD1 4.03Å; Y475-Q585 HydrophobicContact CD1-CB 4.44Å; Y475-Q585 HydrophobicContact CD1-CG 4.46Å; Y475-Q585 HydrophobicContact CD2-CG 4.15Å; Y475-Q585 HydrophobicContact CE1-CB 4.39Å; Y475-Q585 HydrophobicContact CE1-CG 4.05Å; Y475-Q585 HydrophobicContact CE2-CG 3.72Å
476	M	88	Confident	85.9	Confident	1 Å²	1	47 Å²	47	1%	0.005	24%	0.236	C	C	.	.	I	π-helix	trans	-62.2	-49.1	179.5	-172.7	-94.5	162.6	0	0	111.3	R418 I421 L472 I473 H474 Y480 M481 L582	R418-M476 HydrophobicContact CB-CE 3.5Å; R418-M476 VanDerWaalsContact CB-CE 3.5Å; R418-M476 HydrophobicContact CB-SD 3.97Å; R418-M476 HydrophobicContact CG-CE 3.95Å; R418-M476 HydrophobicContact CG-SD 3.79Å; I421-M476 HydrophobicContact CD1-CB 4.42Å; I421-M476 HydrophobicContact CD1-CG 4.2Å; L472-M476 VanDerWaalsContact O-CB 3.25Å; L472-M476 WeakPolarHBondContact O-CB 3.43Å; L472-M476 PolarHBondContact O-N 3.15Å; I473-M476 WeakPolarHBondContact O-CA 3.42Å; I473-M476 WeakPolarHBondContact O-CB 2.89Å; I473-M476 PolarHBondContact O-N 2.89Å; I473-M476 VanDerWaalsContact O-N 3.1Å; H474-M476 VanDerWaalsContact C-N 3.29Å; H474-M476 PolarHBondContact O-N 3.07Å; M476-Y480 HydrophobicContact CE-CD1 4.25Å; M476-Y480 HydrophobicContact CE-CE1 4.33Å; M476-Y480 HydrophobicContact CG-CD1 4.37Å; M476-Y480 WeakPolarHBondContact O-CB 3.34Å; M476-M481 HydrophobicContact CE-CG 3.37Å; M476-M481 HydrophobicContact CE-SD 3.43Å; M476-M481 WeakPolarHBondContact CE-SD 3.48Å; M476-M481 WeakPolarHBondContact O-CB 3.42Å; M476-M481 VanDerWaalsContact O-CG 3.23Å; M476-M481 WeakPolarHBondContact O-CG 3.48Å; M476-M481 PolarHBondContact O-N 3.44Å; M476-M481 HydrophobicContact SD-CG 3.92Å; M476-L582 HydrophobicContact CB-CD1 4.17Å; M476-L582 HydrophobicContact CG-CD2 4.38Å
477	D	87.1	Confident	86	Confident	57 Å²	57	49.3 Å²	49.3	31%	0.305	25%	0.249	S	C	.	.	I	π-helix	trans	-78.5	-43.6	-175.5	-69.7	-32.2	0	0	0	112.4	R418 I473 H474	R418-D477 IonicContact CZ-OD1 2.99Å; R418-D477 VanDerWaalsContact CZ-OD1 3.29Å; R418-D477 IonicContact CZ-OD2 3.49Å; R418-D477 VanDerWaalsContact CZ-OD2 3.3Å; R418-D477 IonicContact NE-OD1 3.92Å; R418-D477 IonicContact NH1-OD1 3.88Å; R418-D477 PolarHBondContact NH1-OD1 3.35Å; R418-D477 IonicContact NH1-OD2 3.23Å; R418-D477 PolarHBondContact NH1-OD2 2.96Å; R418-D477 IonicContact NH2-OD1 2.62Å; R418-D477 IonicContact NH2-OD2 3.66Å; R418-D477 PolarHBondContact NH2-OD2 2.96Å; I473-D477 WeakPolarHBondContact CG2-OD2 3.48Å; I473-D477 PolarHBondContact O-N 3.48Å; H474-D477 PolarHBondContact O-N 3.44Å
478	D	84.4	Confident	86.2	Confident	53 Å²	53	45 Å²	45	28%	0.283	23%	0.226	S	C	.	.	I	π-helix	trans	-87.2	-29	-173	-74.4	-49.7	0	0	0	114.6	H474 R482	H474-D478 IonicContact ND1-OD2 2.65Å; H474-D478 VanDerWaalsContact O-CB 3.26Å; H474-D478 WeakPolarHBondContact O-CB 3.03Å; H474-D478 PolarHBondContact O-N 3.25Å; D478-R482 WeakPolarHBondContact O-CB 3.49Å; D478-R482 WeakPolarHBondContact O-CD 3.49Å; D478-R482 PolarHBondContact O-NE 3.37Å; D478-R482 PolarHBondContact O-NH1 2.97Å; D478-R482 PolarHBondContact O-NH2 3.02Å; D478-R482 IonicContact OD1-NH2 2.67Å; D478-R482 PolarHBondContact OD1-NH2 3.08Å
479	I	84.9	Confident	86.5	Confident	61 Å²	61	46.2 Å²	46.2	31%	0.313	23%	0.232	S	C	.	.	I	π-helix	trans	-111.3	-59.6	-174.3	-59.4	175	0	0	0	110	Y475 K483	Y475-I479 HydrophobicContact CD2-CB 4.29Å; Y475-I479 HydrophobicContact CD2-CD1 3.53Å; Y475-I479 HydrophobicContact CD2-CG1 4.4Å; Y475-I479 HydrophobicContact CE1-CG2 4.45Å; Y475-I479 HydrophobicContact CE2-CB 4.21Å; Y475-I479 HydrophobicContact CE2-CD1 3.68Å; Y475-I479 HydrophobicContact CE2-CG2 4.02Å; Y475-I479 HydrophobicContact CG-CB 4.48Å; Y475-I479 HydrophobicContact CG-CD1 4.34Å; Y475-I479 WeakPolarHBondContact O-CA 3.36Å; Y475-I479 WeakPolarHBondContact O-CB 3.23Å; Y475-I479 PolarHBondContact O-N 3.39Å; I479-K483 HydrophobicContact CG2-CD 4.24Å; I479-K483 VanDerWaalsContact O-CB 3.31Å; I479-K483 WeakPolarHBondContact O-CB 3.5Å; I479-K483 VanDerWaalsContact O-CG 3.3Å; I479-K483 WeakPolarHBondContact O-CG 3.43Å; I479-K483 PolarHBondContact O-N 3.22Å
480	Y	87.8	Confident	86.5	Confident	3 Å²	3	49.3 Å²	49.3	1%	0.012	25%	0.25	C	S	.	.	I	π-helix	trans	-65.9	-53.9	-175.5	168.1	-86.4	0	0	0	111.5	S414 Y475 M476 R482 K483 M484 L578 Q579 L582	S414-Y480 PolarHBondContact OG-OH 3.42Å; Y475-Y480 PolarHBondContact O-N 3.01Å; M476-Y480 HydrophobicContact CE-CD1 4.25Å; M476-Y480 HydrophobicContact CE-CE1 4.33Å; M476-Y480 HydrophobicContact CG-CD1 4.37Å; M476-Y480 WeakPolarHBondContact O-CB 3.34Å; Y480-R482 VanDerWaalsContact C-N 3.33Å; Y480-R482 PolarHBondContact O-N 2.92Å; Y480-K483 PolarHBondContact O-N 3.44Å; Y480-M484 HydrophobicContact CE1-CE 4.33Å; Y480-M484 HydrophobicContact CE2-CE 3.66Å; Y480-M484 VanDerWaalsContact O-CB 3.25Å; Y480-M484 WeakPolarHBondContact O-CB 3.34Å; Y480-M484 PolarHBondContact O-N 3.49Å; Y480-M484 VanDerWaalsContact OH-CE 3.32Å; Y480-M484 WeakPolarHBondContact OH-CE 3.44Å; Y480-L578 HydrophobicContact CD2-CB 4.01Å; Y480-L578 HydrophobicContact CE2-CB 4.04Å; Y480-Q579 PolarHBondContact OH-OE1 3.35Å; Y480-L582 HydrophobicContact CD1-CD2 4.24Å; Y480-L582 HydrophobicContact CD2-CB 3.95Å; Y480-L582 HydrophobicContact CD2-CD2 3.93Å; Y480-L582 HydrophobicContact CD2-CG 4.48Å; Y480-L582 HydrophobicContact CE1-CD2 4.43Å; Y480-L582 HydrophobicContact CE2-CB 4.45Å; Y480-L582 HydrophobicContact CE2-CD2 4.09Å; Y480-L582 HydrophobicContact CG-CD2 4Å
481	M	88.4	Confident	86.6	Confident	57 Å²	57	53 Å²	53	28%	0.281	26%	0.261	S	S	.	.	H	α-helix	trans	-65.8	-37.5	-178.6	-75	-59.4	-70.7	0	0	111.8	M476 S485	M476-M481 HydrophobicContact CE-CG 3.37Å; M476-M481 HydrophobicContact CE-SD 3.43Å; M476-M481 WeakPolarHBondContact CE-SD 3.48Å; M476-M481 WeakPolarHBondContact O-CB 3.42Å; M476-M481 VanDerWaalsContact O-CG 3.23Å; M476-M481 WeakPolarHBondContact O-CG 3.48Å; M476-M481 PolarHBondContact O-N 3.44Å; M476-M481 HydrophobicContact SD-CG 3.92Å; M481-S485 VanDerWaalsContact O-CB 3.29Å; M481-S485 WeakPolarHBondContact O-CB 3.01Å; M481-S485 PolarHBondContact O-N 3.21Å; M481-S485 PolarHBondContact O-OG 2.99Å
482	R	87.6	Confident	86.7	Confident	146 Å²	146	49.9 Å²	49.9	55%	0.551	24%	0.242	S	C	*	.	H	α-helix	trans	-62	-51.1	175.3	-169.2	179.3	-63.8	149.9	9.3	111.5	D478 Y480 S485 S486	D478-R482 WeakPolarHBondContact O-CB 3.49Å; D478-R482 WeakPolarHBondContact O-CD 3.49Å; D478-R482 PolarHBondContact O-NE 3.37Å; D478-R482 PolarHBondContact O-NH1 2.97Å; D478-R482 PolarHBondContact O-NH2 3.02Å; D478-R482 IonicContact OD1-NH2 2.67Å; D478-R482 PolarHBondContact OD1-NH2 3.08Å; Y480-R482 VanDerWaalsContact C-N 3.33Å; Y480-R482 PolarHBondContact O-N 2.92Å; R482-S485 PolarHBondContact O-N 3.23Å; R482-S486 WeakPolarHBondContact O-CB 3.28Å; R482-S486 PolarHBondContact O-N 2.81Å; R482-S486 PolarHBondContact O-OG 3.26Å
483	K	88.2	Confident	86.7	Confident	89 Å²	89	51.9 Å²	51.9	39%	0.387	26%	0.256	S	S	.	.	H	α-helix	trans	-66	-38.8	178.1	-73.4	-177.3	176.5	-174.5	0	112.4	I479 Y480 S485 N487 L578	I479-K483 HydrophobicContact CG2-CD 4.24Å; I479-K483 VanDerWaalsContact O-CB 3.31Å; I479-K483 WeakPolarHBondContact O-CB 3.5Å; I479-K483 VanDerWaalsContact O-CG 3.3Å; I479-K483 WeakPolarHBondContact O-CG 3.43Å; I479-K483 PolarHBondContact O-N 3.22Å; Y480-K483 PolarHBondContact O-N 3.44Å; K483-S485 VanDerWaalsContact C-N 3.31Å; K483-S485 PolarHBondContact O-N 3.19Å; K483-N487 VanDerWaalsContact O-CB 3.29Å; K483-N487 WeakPolarHBondContact O-CB 3.35Å; K483-N487 PolarHBondContact O-N 3.25Å; K483-L578 HydrophobicContact CB-CD1 3.9Å; K483-L578 HydrophobicContact CB-CD2 3.93Å; K483-L578 HydrophobicContact CD-CD2 3.83Å
484	M	88.6	Confident	86.6	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.02	27%	0.273	C	S	.	.	I	π-helix	trans	-61.4	-44.4	175.5	-166.7	66.4	80.4	0	0	110.4	V410 Y480 V488 L489 A575 L578	V410-M484 HydrophobicContact CG1-CE 4.15Å; V410-M484 HydrophobicContact CG1-CG 3.53Å; V410-M484 HydrophobicContact CG1-SD 3.39Å; V410-M484 WeakPolarHBondContact CG1-SD 3.3Å; Y480-M484 HydrophobicContact CE1-CE 4.33Å; Y480-M484 HydrophobicContact CE2-CE 3.66Å; Y480-M484 VanDerWaalsContact O-CB 3.25Å; Y480-M484 WeakPolarHBondContact O-CB 3.34Å; Y480-M484 PolarHBondContact O-N 3.49Å; Y480-M484 VanDerWaalsContact OH-CE 3.32Å; Y480-M484 WeakPolarHBondContact OH-CE 3.44Å; M484-V488 WeakPolarHBondContact O-CA 3.44Å; M484-V488 VanDerWaalsContact O-CB 3.27Å; M484-V488 WeakPolarHBondContact O-CB 3.45Å; M484-V488 PolarHBondContact O-N 3.47Å; M484-V488 VanDerWaalsContact O-N 3.15Å; M484-V488 HydrophobicContact SD-CB 3.97Å; M484-V488 HydrophobicContact SD-CG1 4.34Å; M484-V488 HydrophobicContact SD-CG2 3.71Å; M484-L489 PolarHBondContact O-N 2.97Å; M484-A575 HydrophobicContact CE-CB 4.14Å; M484-A575 HydrophobicContact SD-CB 3.93Å; M484-L578 HydrophobicContact CB-CD1 4.24Å; M484-L578 HydrophobicContact CE-CB 4.18Å; M484-L578 HydrophobicContact CE-CD1 4.06Å; M484-L578 HydrophobicContact SD-CD1 4.1Å
485	S	88	Confident	86.7	Confident	46 Å²	46	51.8 Å²	51.8	32%	0.322	26%	0.256	S	S	.	.	I	π-helix	trans	-67.2	-49.1	177.9	-55.9	0	0	0	0	112	M481 R482 K483 N490	M481-S485 VanDerWaalsContact O-CB 3.29Å; M481-S485 WeakPolarHBondContact O-CB 3.01Å; M481-S485 PolarHBondContact O-N 3.21Å; M481-S485 PolarHBondContact O-OG 2.99Å; R482-S485 PolarHBondContact O-N 3.23Å; K483-S485 VanDerWaalsContact C-N 3.31Å; K483-S485 PolarHBondContact O-N 3.19Å; S485-N490 WeakPolarHBondContact O-CB 3.37Å; S485-N490 VanDerWaalsContact O-CG 3.26Å; S485-N490 PolarHBondContact O-N 2.89Å; S485-N490 PolarHBondContact O-OD1 3.07Å
486	S	84.6	Confident	86.7	Confident	51 Å²	51	54.7 Å²	54.7	36%	0.357	27%	0.269	S	S	.	.	I	π-helix	trans	-73.1	-38	-173.9	70.2	0	0	0	0	114	R482 N490	R482-S486 WeakPolarHBondContact O-CB 3.28Å; R482-S486 PolarHBondContact O-N 2.81Å; R482-S486 PolarHBondContact O-OG 3.26Å; S486-N490 WeakPolarHBondContact O-CB 3.45Å
487	N	83.1	Confident	86.7	Confident	76 Å²	76	60 Å²	60	41%	0.406	29%	0.292	S	S	.	.	I	π-helix	trans	-106.3	-22.6	-168.6	-58.8	-14	0	0	0	113	K483 R491 Y574	K483-N487 VanDerWaalsContact O-CB 3.29Å; K483-N487 WeakPolarHBondContact O-CB 3.35Å; K483-N487 PolarHBondContact O-N 3.25Å; N487-R491 WeakPolarHBondContact O-CB 3.4Å; N487-Y574 HydrophobicContact CB-CD1 4.08Å; N487-Y574 HydrophobicContact CB-CE1 3.55Å; N487-Y574 PolarHBondContact ND2-OH 2.96Å
488	V	86.4	Confident	86.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.296	C	S	.	.	I	π-helix	trans	-106.5	-64.9	177.3	-172.8	0	0	0	0	109.7	V410 M484 N490 R491 L492 A571 Y574 A575	V410-V488 HydrophobicContact CG2-CG1 4.44Å; M484-V488 WeakPolarHBondContact O-CA 3.44Å; M484-V488 VanDerWaalsContact O-CB 3.27Å; M484-V488 WeakPolarHBondContact O-CB 3.45Å; M484-V488 PolarHBondContact O-N 3.47Å; M484-V488 VanDerWaalsContact O-N 3.15Å; M484-V488 HydrophobicContact SD-CB 3.97Å; M484-V488 HydrophobicContact SD-CG1 4.34Å; M484-V488 HydrophobicContact SD-CG2 3.71Å; V488-N490 PolarHBondContact O-N 2.86Å; V488-R491 PolarHBondContact O-N 3.36Å; V488-L492 HydrophobicContact CG1-CD1 4.03Å; V488-L492 VanDerWaalsContact O-CG 3.31Å; V488-L492 WeakPolarHBondContact O-CG 3.31Å; V488-L492 PolarHBondContact O-N 3.08Å; V488-A571 HydrophobicContact CG1-CB 4.22Å; V488-Y574 HydrophobicContact CG2-CD1 3.64Å; V488-Y574 HydrophobicContact CG2-CE1 4.45Å; V488-A575 HydrophobicContact CG1-CB 4.44Å; V488-A575 HydrophobicContact CG2-CB 4.36Å
489	L	88.4	Confident	86.7	Confident	32 Å²	32	58.4 Å²	58.4	17%	0.168	28%	0.283	C	S	.	.	I	π-helix	trans	-65	-44.1	-171.7	-59.5	178.5	0	0	0	112.8	Q407 V410 E411 M484 R491 L492 S493	Q407-L489 HydrophobicContact CG-CD2 4.05Å; V410-L489 HydrophobicContact CG1-CD2 4.12Å; E411-L489 HydrophobicContact CG-CD1 4.32Å; E411-L489 HydrophobicContact CG-CD2 4.15Å; M484-L489 PolarHBondContact O-N 2.97Å; L489-R491 VanDerWaalsContact C-N 3.33Å; L489-R491 PolarHBondContact O-N 2.89Å; L489-L492 PolarHBondContact O-N 2.9Å; L489-S493 WeakPolarHBondContact O-CB 3.42Å; L489-S493 PolarHBondContact O-N 3.32Å
490	N	86.5	Confident	86.7	Confident	95 Å²	95	60.3 Å²	60.3	51%	0.508	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-41.3	175.2	-75.5	-8.7	0	0	0	111.5	S485 S486 V488 L492 S493 E494	S485-N490 WeakPolarHBondContact O-CB 3.37Å; S485-N490 VanDerWaalsContact O-CG 3.26Å; S485-N490 PolarHBondContact O-N 2.89Å; S485-N490 PolarHBondContact O-OD1 3.07Å; S486-N490 WeakPolarHBondContact O-CB 3.45Å; V488-N490 PolarHBondContact O-N 2.86Å; N490-L492 PolarHBondContact O-N 2.65Å; N490-S493 WeakPolarHBondContact O-CB 3.49Å; N490-S493 PolarHBondContact O-N 2.67Å; N490-E494 WeakPolarHBondContact O-CG 3.22Å; N490-E494 PolarHBondContact O-N 3.48Å
491	R	84.6	Confident	86.6	Confident	124 Å²	124	64.1 Å²	64.1	47%	0.468	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-38.7	179.2	-170.7	61.7	174.6	177.6	-1	112	N487 V488 L489 L495 I567	N487-R491 WeakPolarHBondContact O-CB 3.4Å; V488-R491 PolarHBondContact O-N 3.36Å; L489-R491 VanDerWaalsContact C-N 3.33Å; L489-R491 PolarHBondContact O-N 2.89Å; R491-L495 WeakPolarHBondContact O-CB 3.29Å; R491-L495 PolarHBondContact O-N 3.06Å; R491-I567 HydrophobicContact CG-CG2 3.61Å
492	L	88.5	Confident	86.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.1	-38.1	172.6	-67.2	178.7	0	0	0	112	C403 L406 Q407 V488 L489 N490 L495 K496 L568 A571	C403-L492 PolarHBondContact SG-O 3.21Å; L406-L492 HydrophobicContact CB-CD1 4.47Å; L406-L492 HydrophobicContact CD2-CD1 4.01Å; L406-L492 HydrophobicContact CD2-CD2 4.07Å; L406-L492 HydrophobicContact CG-CD1 4.06Å; Q407-L492 HydrophobicContact CB-CD1 4.31Å; V488-L492 HydrophobicContact CG1-CD1 4.03Å; V488-L492 VanDerWaalsContact O-CG 3.31Å; V488-L492 WeakPolarHBondContact O-CG 3.31Å; V488-L492 PolarHBondContact O-N 3.08Å; L489-L492 PolarHBondContact O-N 2.9Å; N490-L492 PolarHBondContact O-N 2.65Å; L492-L495 PolarHBondContact O-N 3.3Å; L492-K496 WeakPolarHBondContact O-CB 3.3Å; L492-K496 PolarHBondContact O-N 3.18Å; L492-L568 HydrophobicContact CD2-CD1 4.17Å; L492-A571 HydrophobicContact CD2-CB 4.05Å; L492-A571 HydrophobicContact CG-CB 4.44Å
493	S	86.8	Confident	86.2	Confident	49 Å²	49	56.4 Å²	56.4	34%	0.343	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-46.1	174.8	-173.8	0	0	0	0	112.1	L489 N490 L495 K496 K497	L489-S493 WeakPolarHBondContact O-CB 3.42Å; L489-S493 PolarHBondContact O-N 3.32Å; N490-S493 WeakPolarHBondContact O-CB 3.49Å; N490-S493 PolarHBondContact O-N 2.67Å; S493-L495 VanDerWaalsContact C-N 3.34Å; S493-L495 PolarHBondContact O-N 2.93Å; S493-K496 WeakPolarHBondContact O-CB 3.48Å; S493-K496 PolarHBondContact O-N 3.37Å; S493-K497 PolarHBondContact O-N 3.26Å
494	E	84.9	Confident	86	Confident	94 Å²	94	60.5 Å²	60.5	44%	0.439	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-41.5	174.4	-68.9	-50.4	125.7	0	0	111.7	N490 K496 K497 L498	N490-E494 WeakPolarHBondContact O-CG 3.22Å; N490-E494 PolarHBondContact O-N 3.48Å; E494-K496 VanDerWaalsContact C-N 3.3Å; E494-K496 PolarHBondContact O-N 3.11Å; E494-K497 WeakPolarHBondContact O-CB 3.31Å; E494-K497 PolarHBondContact O-N 2.94Å; E494-K497 IonicContact OE1-NZ 2.82Å; E494-K497 PolarHBondContact OE1-NZ 3.05Å; E494-K497 IonicContact OE2-NZ 2.87Å; E494-L498 PolarHBondContact O-N 3.38Å
495	L	87.2	Confident	85.8	Confident	4 Å²	4	63 Å²	63	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-41.7	174	177	59.2	0	0	0	111.6	I399 R491 L492 S493 K497 L498 I499 A564 I567	I399-L495 HydrophobicContact CG2-CD2 4.37Å; R491-L495 WeakPolarHBondContact O-CB 3.29Å; R491-L495 PolarHBondContact O-N 3.06Å; L492-L495 PolarHBondContact O-N 3.3Å; S493-L495 VanDerWaalsContact C-N 3.34Å; S493-L495 PolarHBondContact O-N 2.93Å; L495-K497 PolarHBondContact O-N 3.03Å; L495-L498 PolarHBondContact O-N 3.41Å; L495-I499 HydrophobicContact CD1-CD1 4.05Å; L495-I499 HydrophobicContact CD1-CG1 4.25Å; L495-I499 HydrophobicContact CG-CD1 3.84Å; L495-I499 WeakPolarHBondContact O-CB 3.24Å; L495-I499 WeakPolarHBondContact O-CD1 3.24Å; L495-I499 VanDerWaalsContact O-CG1 3.28Å; L495-I499 WeakPolarHBondContact O-CG1 3.26Å; L495-I499 PolarHBondContact O-N 2.89Å; L495-A564 HydrophobicContact CD1-CB 3.52Å; L495-I567 HydrophobicContact CB-CG2 4.48Å; L495-I567 HydrophobicContact CD1-CD1 4.47Å; L495-I567 HydrophobicContact CD2-CB 4.33Å; L495-I567 HydrophobicContact CD2-CG2 4Å
496	K	87.6	Confident	85.5	Confident	107 Å²	107	60.9 Å²	60.9	47%	0.465	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-40.9	176.1	-173.1	179.4	-178.6	178.6	0	112.1	L492 S493 E494 N500	L492-K496 WeakPolarHBondContact O-CB 3.3Å; L492-K496 PolarHBondContact O-N 3.18Å; S493-K496 WeakPolarHBondContact O-CB 3.48Å; S493-K496 PolarHBondContact O-N 3.37Å; E494-K496 VanDerWaalsContact C-N 3.3Å; E494-K496 PolarHBondContact O-N 3.11Å; K496-N500 WeakPolarHBondContact O-CB 3.5Å; K496-N500 PolarHBondContact O-N 3Å
497	K	86.6	Confident	85.2	Confident	112 Å²	112	62 Å²	62	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-45.9	174.3	-67.8	174	-174.2	170	0	111.2	S493 E494 L495 N500 I501	S493-K497 PolarHBondContact O-N 3.26Å; E494-K497 WeakPolarHBondContact O-CB 3.31Å; E494-K497 PolarHBondContact O-N 2.94Å; E494-K497 IonicContact OE1-NZ 2.82Å; E494-K497 PolarHBondContact OE1-NZ 3.05Å; E494-K497 IonicContact OE2-NZ 2.87Å; L495-K497 PolarHBondContact O-N 3.03Å; K497-N500 PolarHBondContact O-N 3.14Å; K497-I501 WeakPolarHBondContact O-CG1 2.93Å; K497-I501 PolarHBondContact O-N 2.81Å; K497-I501 VanDerWaalsContact O-N 3.08Å
498	L	85	Confident	85	Confident	74 Å²	74	64.2 Å²	64.2	39%	0.387	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-45.6	179.9	-166.1	71	0	0	0	111.7	E494 L495 N500 I501 S502 L560	E494-L498 PolarHBondContact O-N 3.38Å; L495-L498 PolarHBondContact O-N 3.41Å; L498-N500 VanDerWaalsContact C-N 3.31Å; L498-N500 PolarHBondContact O-N 3.27Å; L498-I501 PolarHBondContact O-N 2.75Å; L498-S502 PolarHBondContact O-N 3.31Å; L498-S502 PolarHBondContact O-OG 3.35Å; L498-L560 HydrophobicContact CD1-CD1 4.35Å; L498-L560 HydrophobicContact CD2-CD1 3.17Å; L498-L560 HydrophobicContact CG-CD1 3.42Å; L498-L560 VanDerWaalsContact CG-CD1 3.42Å
499	I	86.7	Confident	84.7	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-57	-44.5	174	-73.2	163.8	0	0	0	111.3	I396 I399 E400 L495 I501 S502 K503	I396-I499 HydrophobicContact CG2-CB 4.36Å; I396-I499 HydrophobicContact CG2-CG2 3.47Å; I396-I499 VanDerWaalsContact CG2-CG2 3.47Å; I399-I499 HydrophobicContact CB-CD1 4.27Å; I399-I499 HydrophobicContact CG2-CD1 3.48Å; I399-I499 VanDerWaalsContact CG2-CD1 3.48Å; I399-I499 HydrophobicContact CG2-CG1 4.39Å; E400-I499 HydrophobicContact CB-CG2 4.03Å; E400-I499 HydrophobicContact CG-CG2 4.43Å; L495-I499 HydrophobicContact CD1-CD1 4.05Å; L495-I499 HydrophobicContact CD1-CG1 4.25Å; L495-I499 HydrophobicContact CG-CD1 3.84Å; L495-I499 WeakPolarHBondContact O-CB 3.24Å; L495-I499 WeakPolarHBondContact O-CD1 3.24Å; L495-I499 VanDerWaalsContact O-CG1 3.28Å; L495-I499 WeakPolarHBondContact O-CG1 3.26Å; L495-I499 PolarHBondContact O-N 2.89Å; I499-I501 VanDerWaalsContact C-N 3.34Å; I499-I501 PolarHBondContact O-N 3.21Å; I499-S502 PolarHBondContact O-N 3.15Å; I499-K503 PolarHBondContact O-N 3.43Å
500	N	85.6	Confident	84	Confident	102 Å²	102	65.4 Å²	65.4	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-37	-179	-165.2	33.1	0	0	0	112.5	K496 K497 L498 S502 K503 R504	K496-N500 WeakPolarHBondContact O-CB 3.5Å; K496-N500 PolarHBondContact O-N 3Å; K497-N500 PolarHBondContact O-N 3.14Å; L498-N500 VanDerWaalsContact C-N 3.31Å; L498-N500 PolarHBondContact O-N 3.27Å; N500-S502 VanDerWaalsContact C-N 3.32Å; N500-S502 PolarHBondContact O-N 3.28Å; N500-K503 PolarHBondContact O-N 3.34Å; N500-R504 PolarHBondContact O-N 3.43Å
501	I	85.1	Confident	83.4	Confident	83 Å²	83	65.2 Å²	65.2	43%	0.426	31%	0.308	S	S	.	.	H	α-helix	trans	-60.3	-45.2	174	-67.2	166.1	0	0	0	110.3	K497 L498 I499 R504 L505	K497-I501 WeakPolarHBondContact O-CG1 2.93Å; K497-I501 PolarHBondContact O-N 2.81Å; K497-I501 VanDerWaalsContact O-N 3.08Å; L498-I501 PolarHBondContact O-N 2.75Å; I499-I501 VanDerWaalsContact C-N 3.34Å; I499-I501 PolarHBondContact O-N 3.21Å; I501-R504 PolarHBondContact O-N 2.9Å; I501-L505 HydrophobicContact CG2-CD1 4.27Å; I501-L505 WeakPolarHBondContact O-CG 3.13Å; I501-L505 PolarHBondContact O-N 2.75Å
502	S	85.6	Confident	83	Confident	6 Å²	6	59.8 Å²	59.8	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-67.3	-37.8	-178.9	-55	0	0	0	0	113	L498 I499 N500 L505 L506 L560	L498-S502 PolarHBondContact O-N 3.31Å; L498-S502 PolarHBondContact O-OG 3.35Å; I499-S502 PolarHBondContact O-N 3.15Å; N500-S502 VanDerWaalsContact C-N 3.32Å; N500-S502 PolarHBondContact O-N 3.28Å; S502-L505 PolarHBondContact O-N 3.49Å; S502-L506 PolarHBondContact O-N 2.84Å; S502-L560 WeakPolarHBondContact OG-CD2 3.14Å
503	K	82.3	Confident	82.3	Confident	34 Å²	34	62.8 Å²	62.8	15%	0.148	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-47.2	170.6	-72.6	-174.9	175.8	-167.5	0	111.8	I396 N397 E400 I499 N500 L505 L506 D507	I396-K503 HydrophobicContact CG2-CG 3.86Å; N397-K503 WeakPolarHBondContact OD1-CE 3.27Å; N397-K503 PolarHBondContact OD1-NZ 2.95Å; E400-K503 IonicContact OE1-NZ 2.96Å; E400-K503 PolarHBondContact OE1-NZ 3.32Å; E400-K503 IonicContact OE2-NZ 2.62Å; E400-K503 PolarHBondContact OE2-NZ 3.4Å; I499-K503 PolarHBondContact O-N 3.43Å; N500-K503 PolarHBondContact O-N 3.34Å; K503-L505 VanDerWaalsContact C-N 3.28Å; K503-L505 PolarHBondContact O-N 3.38Å; K503-L506 WeakPolarHBondContact O-CB 3.02Å; K503-L506 PolarHBondContact O-N 2.66Å; K503-L506 VanDerWaalsContact O-N 3.16Å; K503-D507 PolarHBondContact O-N 2.87Å
504	R	83.4	Confident	81.4	Confident	176 Å²	176	64.9 Å²	64.9	66%	0.664	31%	0.309	S	S	*	.	H	α-helix	trans	-61	-36.3	178.1	-172	175.7	67	154.8	0.5	112.5	N500 I501 K508	N500-R504 PolarHBondContact O-N 3.43Å; I501-R504 PolarHBondContact O-N 2.9Å; R504-K508 WeakPolarHBondContact O-CB 3.1Å; R504-K508 PolarHBondContact O-N 2.84Å
505	L	85.2	Confident	80.6	Confident	56 Å²	56	64 Å²	64	29%	0.293	31%	0.308	S	S	.	.	H	α-helix	trans	-69.1	-41.8	175.4	-69.9	172.3	0	0	0	112.1	I501 S502 K503 K508 Y509 L553	I501-L505 HydrophobicContact CG2-CD1 4.27Å; I501-L505 WeakPolarHBondContact O-CG 3.13Å; I501-L505 PolarHBondContact O-N 2.75Å; S502-L505 PolarHBondContact O-N 3.49Å; K503-L505 VanDerWaalsContact C-N 3.28Å; K503-L505 PolarHBondContact O-N 3.38Å; L505-K508 PolarHBondContact O-N 3.38Å; L505-Y509 PolarHBondContact O-N 2.9Å; L505-L553 HydrophobicContact CB-CD2 3.82Å
506	L	81.3	Confident	79.8	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-42.2	172.9	-80.5	164.2	0	0	0	111.8	F389 R393 I396 S502 K503 K508 Y509 D510 L553 L557	F389-L506 HydrophobicContact CB-CD2 4.27Å; R393-L506 HydrophobicContact CB-CD1 3.93Å; R393-L506 HydrophobicContact CG-CD1 4.23Å; R393-L506 VanDerWaalsContact NH2-C 3.31Å; R393-L506 PolarHBondContact NH2-O 2.89Å; I396-L506 HydrophobicContact CD1-CD1 4.03Å; S502-L506 PolarHBondContact O-N 2.84Å; K503-L506 WeakPolarHBondContact O-CB 3.02Å; K503-L506 PolarHBondContact O-N 2.66Å; K503-L506 VanDerWaalsContact O-N 3.16Å; L506-K508 VanDerWaalsContact C-N 3.33Å; L506-K508 PolarHBondContact O-N 3.37Å; L506-Y509 WeakPolarHBondContact O-CB 3.38Å; L506-Y509 PolarHBondContact O-N 3.41Å; L506-D510 PolarHBondContact O-N 3.37Å; L506-L553 HydrophobicContact CD2-CD1 4.24Å; L506-L557 HydrophobicContact CD1-CD1 4.28Å; L506-L557 HydrophobicContact CD1-CD2 4.46Å; L506-L557 HydrophobicContact CD2-CD1 3.8Å; L506-L557 HydrophobicContact CG-CD1 4.15Å
507	D	78.4	Confident	78.8	Confident	76 Å²	76	63.3 Å²	63.3	41%	0.406	31%	0.312	S	S	.	.	H	α-helix	trans	-67.7	-35.5	176.9	-62.1	-17.8	0	0	0	111.3	R393 K503 Y509 N511	R393-D507 IonicContact CZ-OD1 3.91Å; R393-D507 IonicContact NH2-OD1 3.7Å; R393-D507 PolarHBondContact NH2-OD1 2.88Å; K503-D507 PolarHBondContact O-N 2.87Å; D507-Y509 VanDerWaalsContact C-N 3.32Å; D507-N511 VanDerWaalsContact O-CB 3.32Å; D507-N511 WeakPolarHBondContact O-CB 3.47Å; D507-N511 PolarHBondContact O-N 2.92Å; D507-N511 PolarHBondContact O-ND2 2.9Å
508	K	79.1	Confident	77.8	Confident	122 Å²	122	62.8 Å²	62.8	53%	0.53	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-38.8	172	-170.7	179.6	178	-176.9	0	111.5	R504 L505 L506 T512 L549	R504-K508 WeakPolarHBondContact O-CB 3.1Å; R504-K508 PolarHBondContact O-N 2.84Å; L505-K508 PolarHBondContact O-N 3.38Å; L506-K508 VanDerWaalsContact C-N 3.33Å; L506-K508 PolarHBondContact O-N 3.37Å; K508-T512 WeakPolarHBondContact O-CB 3.48Å; K508-T512 PolarHBondContact O-N 2.95Å; K508-T512 PolarHBondContact O-OG1 2.99Å; K508-L549 HydrophobicContact CD-CD1 4.23Å; K508-L549 HydrophobicContact CD-CD2 4.28Å; K508-L549 HydrophobicContact CG-CD1 3.99Å
509	Y	79.5	Confident	77.1	Confident	5 Å²	5	60.3 Å²	60.3	2%	0.02	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-54.2	174.7	175.4	-91.9	0	0	0	111.1	F389 L505 L506 D507 N511 T512 E513 L546 L549 Q550 L553	F389-Y509 HydrophobicContact CD2-CD1 4.33Å; F389-Y509 AromaticContact CD2-CE1 3.88Å; F389-Y509 HydrophobicContact CD2-CE1 3.88Å; F389-Y509 HydrophobicContact CD2-CE2 4.46Å; F389-Y509 AromaticContact CD2-CZ 3.94Å; F389-Y509 HydrophobicContact CE2-CD2 4.37Å; F389-Y509 HydrophobicContact CE2-CE1 4.14Å; F389-Y509 AromaticContact CE2-CE2 3.9Å; F389-Y509 HydrophobicContact CE2-CE2 3.9Å; F389-Y509 AromaticContact CE2-CZ 3.76Å; L505-Y509 PolarHBondContact O-N 2.9Å; L506-Y509 WeakPolarHBondContact O-CB 3.38Å; L506-Y509 PolarHBondContact O-N 3.41Å; D507-Y509 VanDerWaalsContact C-N 3.32Å; Y509-N511 VanDerWaalsContact C-N 3.33Å; Y509-N511 PolarHBondContact O-N 3.44Å; Y509-T512 PolarHBondContact O-N 3.29Å; Y509-T512 VanDerWaalsContact O-N 3.1Å; Y509-E513 PolarHBondContact O-N 3.32Å; Y509-L546 HydrophobicContact CD2-CD1 3.53Å; Y509-L546 HydrophobicContact CD2-CG 4.4Å; Y509-L546 HydrophobicContact CE2-CD1 3.44Å; Y509-L546 VanDerWaalsContact CE2-CD1 3.44Å; Y509-L546 HydrophobicContact CE2-CG 3.96Å; Y509-L546 HydrophobicContact CG-CD1 4.21Å; Y509-L549 HydrophobicContact CD2-CB 4.2Å; Y509-Q550 HydrophobicContact CE2-CB 3.94Å; Y509-Q550 HydrophobicContact CE2-CG 4.36Å; Y509-L553 HydrophobicContact CD2-CD1 4.26Å; Y509-L553 HydrophobicContact CG-CD1 4.09Å
510	D	74.7	Confident	76.3	Confident	52 Å²	52	63.2 Å²	63.2	28%	0.278	31%	0.314	S	S	.	.	H	α-helix	trans	-58.7	-42.7	178.7	-68.3	-2.7	0	0	0	112.6	R393 L506 T512 E513 L514	R393-D510 IonicContact CZ-OD1 2.59Å; R393-D510 IonicContact CZ-OD2 3.21Å; R393-D510 VanDerWaalsContact NH1-CG 3.32Å; R393-D510 IonicContact NH1-OD1 3.22Å; R393-D510 PolarHBondContact NH1-OD1 3.34Å; R393-D510 IonicContact NH1-OD2 3.29Å; R393-D510 PolarHBondContact NH1-OD2 3.44Å; R393-D510 IonicContact NH2-OD1 3.38Å; R393-D510 IonicContact NH2-OD2 3.86Å; R393-D510 PolarHBondContact NH2-OD2 3.28Å; L506-D510 PolarHBondContact O-N 3.37Å; D510-T512 VanDerWaalsContact C-N 3.31Å; D510-T512 PolarHBondContact O-N 3.16Å; D510-E513 PolarHBondContact O-N 3.28Å; D510-L514 WeakPolarHBondContact O-CB 3.41Å; D510-L514 PolarHBondContact O-N 2.99Å
511	N	73.6	Confident	75.4	Confident	90 Å²	90	60.6 Å²	60.6	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-36.3	178.7	-74.5	-41.1	0	0	0	111.7	D507 Y509 N515	D507-N511 VanDerWaalsContact O-CB 3.32Å; D507-N511 WeakPolarHBondContact O-CB 3.47Å; D507-N511 PolarHBondContact O-N 2.92Å; D507-N511 PolarHBondContact O-ND2 2.9Å; Y509-N511 VanDerWaalsContact C-N 3.33Å; Y509-N511 PolarHBondContact O-N 3.44Å; N511-N515 WeakPolarHBondContact O-CB 3.45Å; N511-N515 PolarHBondContact O-N 3.01Å; N511-N515 PolarHBondContact O-ND2 3.05Å
512	T	76.9	Confident	74.7	Confident	11 Å²	11	58.9 Å²	58.9	7%	0.067	30%	0.302	C	S	.	.	H	α-helix	trans	-68.7	-42	176.5	-52.1	0	0	0	0	110.5	K508 Y509 D510 N515 I516 N542 N545 L546	K508-T512 WeakPolarHBondContact O-CB 3.48Å; K508-T512 PolarHBondContact O-N 2.95Å; K508-T512 PolarHBondContact O-OG1 2.99Å; Y509-T512 PolarHBondContact O-N 3.29Å; Y509-T512 VanDerWaalsContact O-N 3.1Å; D510-T512 VanDerWaalsContact C-N 3.31Å; D510-T512 PolarHBondContact O-N 3.16Å; T512-N515 PolarHBondContact O-N 3.22Å; T512-I516 HydrophobicContact CG2-CD1 4.45Å; T512-I516 WeakPolarHBondContact O-CG1 3.14Å; T512-I516 PolarHBondContact O-N 3.46Å; T512-I516 VanDerWaalsContact O-N 3.13Å; T512-N542 HydrophobicContact CG2-CB 4.21Å; T512-N542 WeakPolarHBondContact CG2-O 3.29Å; T512-N545 HydrophobicContact CG2-CB 4.43Å; T512-L546 HydrophobicContact CG2-CB 4.01Å; T512-L546 HydrophobicContact CG2-CD1 4.18Å
513	E	73.8	Confident	74.2	Confident	63 Å²	63	60.3 Å²	60.3	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-60.6	-47.2	174.4	-171.4	177.6	-166.8	0	0	111.2	Q386 Y509 D510 N515 I516 V517 L546	Q386-E513 PolarHBondContact NE2-OE2 3.03Å; Y509-E513 PolarHBondContact O-N 3.32Å; D510-E513 PolarHBondContact O-N 3.28Å; E513-N515 PolarHBondContact O-N 3.39Å; E513-I516 PolarHBondContact O-N 3.48Å; E513-V517 PolarHBondContact O-N 3.31Å; E513-L546 HydrophobicContact CB-CD1 4.14Å
514	L	66.9	Low	73.7	Confident	92 Å²	92	67.1 Å²	67.1	48%	0.482	34%	0.338	S	S	.	.	H	α-helix	trans	-62.1	-42.5	177.1	-178.7	62.5	0	0	0	112.3	D510 I516 V517 L518	D510-L514 WeakPolarHBondContact O-CB 3.41Å; D510-L514 PolarHBondContact O-N 2.99Å; L514-I516 VanDerWaalsContact C-N 3.3Å; L514-I516 PolarHBondContact O-N 3.05Å; L514-V517 PolarHBondContact O-N 3.25Å; L514-L518 HydrophobicContact CD1-CD1 4.34Å; L514-L518 HydrophobicContact CD1-CG 4.25Å; L514-L518 HydrophobicContact CG-CD1 4.02Å; L514-L518 HydrophobicContact CG-CG 4.36Å; L514-L518 WeakPolarHBondContact O-CG 3.08Å; L514-L518 PolarHBondContact O-N 2.9Å
515	N	68.8	Low	73.4	Confident	77 Å²	77	65.3 Å²	65.3	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-60.1	-40.4	177.5	-76.4	-20.9	0	0	0	111.7	N511 T512 E513 L518 M519	N511-N515 WeakPolarHBondContact O-CB 3.45Å; N511-N515 PolarHBondContact O-N 3.01Å; N511-N515 PolarHBondContact O-ND2 3.05Å; T512-N515 PolarHBondContact O-N 3.22Å; E513-N515 PolarHBondContact O-N 3.39Å; N515-L518 PolarHBondContact O-N 2.94Å; N515-M519 HydrophobicContact CB-CE 4.21Å; N515-M519 WeakPolarHBondContact O-CB 3.5Å; N515-M519 VanDerWaalsContact O-CE 3.25Å; N515-M519 WeakPolarHBondContact O-CE 3.46Å; N515-M519 WeakPolarHBondContact O-CG 3.42Å; N515-M519 PolarHBondContact O-N 2.79Å
516	I	70	Confident	72.8	Confident	15 Å²	15	66.9 Å²	66.9	8%	0.077	35%	0.347	C	S	.	.	H	α-helix	trans	-60.4	-49.4	175.3	-67.5	161.3	0	0	0	110.4	T512 E513 L514 L518 M519 E520 R539 N542 I543 L546	T512-I516 HydrophobicContact CG2-CD1 4.45Å; T512-I516 WeakPolarHBondContact O-CG1 3.14Å; T512-I516 PolarHBondContact O-N 3.46Å; T512-I516 VanDerWaalsContact O-N 3.13Å; E513-I516 PolarHBondContact O-N 3.48Å; L514-I516 VanDerWaalsContact C-N 3.3Å; L514-I516 PolarHBondContact O-N 3.05Å; I516-L518 VanDerWaalsContact C-N 3.35Å; I516-L518 PolarHBondContact O-N 3.41Å; I516-M519 HydrophobicContact CG1-CE 4.44Å; I516-M519 PolarHBondContact O-N 3.24Å; I516-E520 WeakPolarHBondContact O-CG 2.92Å; I516-E520 PolarHBondContact O-N 2.93Å; I516-R539 HydrophobicContact CG2-CG 4.45Å; I516-N542 HydrophobicContact CD1-CB 4.2Å; I516-N542 HydrophobicContact CG1-CB 3.77Å; I516-I543 HydrophobicContact CD1-CG1 3.91Å; I516-I543 HydrophobicContact CG1-CG1 4.33Å; I516-I543 HydrophobicContact CG2-CG1 4.45Å; I516-L546 HydrophobicContact CD1-CB 4.17Å; I516-L546 HydrophobicContact CD1-CD2 3.85Å
517	V	66.6	Low	72.9	Confident	81 Å²	81	76.5 Å²	76.5	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-61.3	-42.2	179.4	175	0	0	0	0	111.8	E513 L514 E520 A521	E513-V517 PolarHBondContact O-N 3.31Å; L514-V517 PolarHBondContact O-N 3.25Å; V517-E520 PolarHBondContact O-N 2.89Å; V517-A521 PolarHBondContact O-N 3.11Å
518	L	64.5	Low	73.3	Confident	100 Å²	100	77.4 Å²	77.4	52%	0.524	39%	0.393	S	S	.	.	H	α-helix	trans	-67.3	-40.5	177.8	-70.4	176	0	0	0	112.2	L514 N515 I516 A521 S522	L514-L518 HydrophobicContact CD1-CD1 4.34Å; L514-L518 HydrophobicContact CD1-CG 4.25Å; L514-L518 HydrophobicContact CG-CD1 4.02Å; L514-L518 HydrophobicContact CG-CG 4.36Å; L514-L518 WeakPolarHBondContact O-CG 3.08Å; L514-L518 PolarHBondContact O-N 2.9Å; N515-L518 PolarHBondContact O-N 2.94Å; I516-L518 VanDerWaalsContact C-N 3.35Å; I516-L518 PolarHBondContact O-N 3.41Å; L518-A521 PolarHBondContact O-N 3.44Å; L518-S522 WeakPolarHBondContact O-CB 3.5Å; L518-S522 PolarHBondContact O-N 3.01Å
519	M	70.5	Confident	73.6	Confident	22 Å²	22	76.9 Å²	76.9	11%	0.108	40%	0.401	C	S	.	.	H	α-helix	trans	-62.5	-44.2	174.2	-77.6	-176.8	-76.8	0	0	111.1	N515 I516 A521 S522 M523 Q538 R539 N542	N515-M519 HydrophobicContact CB-CE 4.21Å; N515-M519 WeakPolarHBondContact O-CB 3.5Å; N515-M519 VanDerWaalsContact O-CE 3.25Å; N515-M519 WeakPolarHBondContact O-CE 3.46Å; N515-M519 WeakPolarHBondContact O-CG 3.42Å; N515-M519 PolarHBondContact O-N 2.79Å; I516-M519 HydrophobicContact CG1-CE 4.44Å; I516-M519 PolarHBondContact O-N 3.24Å; M519-A521 VanDerWaalsContact C-N 3.33Å; M519-A521 PolarHBondContact O-N 3.39Å; M519-S522 PolarHBondContact O-N 3.31Å; M519-M523 WeakPolarHBondContact O-CB 3.24Å; M519-M523 WeakPolarHBondContact O-CG 3.29Å; M519-M523 PolarHBondContact O-N 3.4Å; M519-Q538 HydrophobicContact SD-CB 4.13Å; M519-Q538 HydrophobicContact SD-CG 3.88Å; M519-R539 HydrophobicContact SD-CB 4.37Å; M519-N542 HydrophobicContact CE-CB 4.01Å; M519-N542 WeakPolarHBondContact CE-ND2 3.33Å
520	E	71.3	Confident	73.8	Confident	64 Å²	64	82.3 Å²	82.3	30%	0.299	43%	0.426	S	S	.	.	H	α-helix	trans	-60.5	-40.8	176.3	-74.2	178.5	177.4	0	0	112.7	I516 V517 K524 R539	I516-E520 WeakPolarHBondContact O-CG 2.92Å; I516-E520 PolarHBondContact O-N 2.93Å; V517-E520 PolarHBondContact O-N 2.89Å; E520-K524 WeakPolarHBondContact O-CG 3.18Å; E520-K524 PolarHBondContact O-N 2.76Å; E520-R539 VanDerWaalsContact CG-NE 3.33Å; E520-R539 IonicContact OE1-CZ 2.97Å; E520-R539 IonicContact OE1-NE 2.67Å; E520-R539 PolarHBondContact OE1-NE 3.41Å; E520-R539 IonicContact OE1-NH2 2.76Å; E520-R539 PolarHBondContact OE1-NH2 3.49Å
521	A	67	Low	74.3	Confident	46 Å²	46	81 Å²	81	38%	0.38	42%	0.423	S	S	.	.	H	α-helix	trans	-67.6	-40.2	175.3	0	0	0	0	0	112.2	V517 L518 M519 N525	V517-A521 PolarHBondContact O-N 3.11Å; L518-A521 PolarHBondContact O-N 3.44Å; M519-A521 VanDerWaalsContact C-N 3.33Å; M519-A521 PolarHBondContact O-N 3.39Å; A521-N525 PolarHBondContact O-ND2 3.39Å
522	S	68.9	Low	74.8	Confident	48 Å²	48	78.6 Å²	78.6	34%	0.336	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-47.4	176.9	-175.2	0	0	0	0	111.5	L518 M519 K524 N525 H526	L518-S522 WeakPolarHBondContact O-CB 3.5Å; L518-S522 PolarHBondContact O-N 3.01Å; M519-S522 PolarHBondContact O-N 3.31Å; S522-K524 VanDerWaalsContact C-N 3.3Å; S522-K524 PolarHBondContact O-N 2.94Å; S522-N525 PolarHBondContact O-N 2.69Å; S522-H526 WeakPolarHBondContact O-CB 3.46Å; S522-H526 PolarHBondContact O-N 2.91Å
523	M	74.9	Confident	75.3	Confident	36 Å²	36	81.4 Å²	81.4	18%	0.177	43%	0.428	C	S	.	.	H	α-helix	trans	-58	-39.1	179	-73.8	168	67.2	0	0	112.8	M519 N525 H526 V532 M535 Q536	M519-M523 WeakPolarHBondContact O-CB 3.24Å; M519-M523 WeakPolarHBondContact O-CG 3.29Å; M519-M523 PolarHBondContact O-N 3.4Å; M523-N525 PolarHBondContact O-N 2.72Å; M523-H526 PolarHBondContact O-N 3.08Å; M523-V532 HydrophobicContact CE-CG1 4.39Å; M523-M535 HydrophobicContact CG-CB 3.83Å; M523-M535 HydrophobicContact CG-CE 4.07Å; M523-M535 HydrophobicContact CG-SD 4.27Å; M523-M535 HydrophobicContact SD-CB 4.3Å; M523-Q536 HydrophobicContact CE-CB 4.06Å
524	K	73.1	Confident	75.9	Confident	176 Å²	176	82.7 Å²	82.7	77%	0.765	44%	0.437	S	S	*	.	H	α-helix	trans	-63.6	-26.1	176.7	-74.9	175.6	-177.1	177.9	0	113.5	E520 S522	E520-K524 WeakPolarHBondContact O-CG 3.18Å; E520-K524 PolarHBondContact O-N 2.76Å; S522-K524 VanDerWaalsContact C-N 3.3Å; S522-K524 PolarHBondContact O-N 2.94Å
525	N	75.7	Confident	76.6	Confident	139 Å²	139	79.6 Å²	79.6	74%	0.743	42%	0.42	S	S	*	.	H	α-helix	trans	-104.1	-7.4	-175.5	-67.4	-32.9	0	0	0	113.5	A521 S522 M523	A521-N525 PolarHBondContact O-ND2 3.39Å; S522-N525 PolarHBondContact O-N 2.69Å; M523-N525 PolarHBondContact O-N 2.72Å
526	H	73.6	Confident	77.4	Confident	88 Å²	88	78.8 Å²	78.8	41%	0.407	41%	0.414	S	S	.	.			trans	-87.6	130.7	-171.9	-137	-82.2	0	0	0	112	S522 M523 V532 M535	S522-H526 WeakPolarHBondContact O-CB 3.46Å; S522-H526 PolarHBondContact O-N 2.91Å; M523-H526 PolarHBondContact O-N 3.08Å; H526-V532 HydrophobicContact CB-CG2 3.85Å; H526-M535 HydrophobicContact CB-CE 3.85Å
527	K	83.1	Confident	78.4	Confident	204 Å²	204	82.6 Å²	82.6	89%	0.887	43%	0.434	S	S	*	.			trans	-88	-24.2	-179.3	-63	-178.2	-179.6	180	0	114.2	V529	K527-V529 PolarHBondContact O-N 2.66Å
528	N	87.1	Confident	79.2	Confident	94 Å²	94	84 Å²	84	50%	0.503	44%	0.435	S	S	.	.			trans	-82.6	113.2	-177.5	-178.3	-25	0	0	0	111.1	Q530 A531 V532	N528-Q530 PolarHBondContact O-N 3.13Å; N528-Q530 PolarHBondContact OD1-N 3.49Å; N528-A531 HydrophobicContact CB-CB 4.02Å; N528-A531 PolarHBondContact O-N 3.22Å; N528-A531 PolarHBondContact OD1-N 3.43Å; N528-V532 WeakPolarHBondContact O-CG2 3.28Å; N528-V532 PolarHBondContact O-N 2.91Å; N528-V532 VanDerWaalsContact O-N 3.08Å
529	V	84.8	Confident	80	Confident	112 Å²	112	82 Å²	82	68%	0.679	42%	0.421	S	S	*	.	H	α-helix	trans	-58.9	-44.2	-178.4	-179	0	0	0	0	112.5	K527 A531 V532 V533	K527-V529 PolarHBondContact O-N 2.66Å; V529-A531 VanDerWaalsContact C-N 3.33Å; V529-A531 PolarHBondContact O-N 3.03Å; V529-V532 WeakPolarHBondContact O-CB 3.22Å; V529-V532 PolarHBondContact O-N 3.48Å; V529-V532 VanDerWaalsContact O-N 3.15Å; V529-V533 WeakPolarHBondContact O-CG2 3.48Å; V529-V533 PolarHBondContact O-N 3.18Å
530	Q	85.1	Confident	80.9	Confident	118 Å²	118	84.8 Å²	84.8	55%	0.551	43%	0.433	S	S	*	.	H	α-helix	trans	-65.1	-38.6	-179.3	-172	61.4	47	0	0	111.8	N528 V532 V533 N534	N528-Q530 PolarHBondContact O-N 3.13Å; N528-Q530 PolarHBondContact OD1-N 3.49Å; Q530-V532 VanDerWaalsContact C-N 3.33Å; Q530-V533 PolarHBondContact O-N 3.34Å; Q530-N534 PolarHBondContact NE2-OD1 3.41Å; Q530-N534 PolarHBondContact O-N 2.99Å; Q530-N534 VanDerWaalsContact O-N 3.08Å; Q530-N534 PolarHBondContact O-OD1 3.49Å
531	A	83.7	Confident	81.8	Confident	26 Å²	26	85.1 Å²	85.1	22%	0.215	44%	0.437	C	S	.	.	H	α-helix	trans	-64.9	-38.7	174.7	0	0	0	0	0	111.6	N528 V529 N534 M535	N528-A531 HydrophobicContact CB-CB 4.02Å; N528-A531 PolarHBondContact O-N 3.22Å; N528-A531 PolarHBondContact OD1-N 3.43Å; V529-A531 VanDerWaalsContact C-N 3.33Å; V529-A531 PolarHBondContact O-N 3.03Å; A531-N534 PolarHBondContact O-N 3.35Å; A531-M535 WeakPolarHBondContact O-CB 3.2Å; A531-M535 WeakPolarHBondContact O-CG 3.43Å; A531-M535 PolarHBondContact O-N 2.99Å
532	V	83.8	Confident	82.5	Confident	39 Å²	39	84 Å²	84	24%	0.236	43%	0.425	C	S	.	.	H	α-helix	trans	-64	-43.1	175.9	174.2	0	0	0	0	111.5	M523 H526 N528 V529 Q530 M535 Q536	M523-V532 HydrophobicContact CE-CG1 4.39Å; H526-V532 HydrophobicContact CB-CG2 3.85Å; N528-V532 WeakPolarHBondContact O-CG2 3.28Å; N528-V532 PolarHBondContact O-N 2.91Å; N528-V532 VanDerWaalsContact O-N 3.08Å; V529-V532 WeakPolarHBondContact O-CB 3.22Å; V529-V532 PolarHBondContact O-N 3.48Å; V529-V532 VanDerWaalsContact O-N 3.15Å; Q530-V532 VanDerWaalsContact C-N 3.33Å; V532-M535 HydrophobicContact CG2-CE 4.14Å; V532-M535 PolarHBondContact O-N 2.64Å; V532-Q536 WeakPolarHBondContact O-CB 3.36Å; V532-Q536 PolarHBondContact O-N 3.14Å
533	V	87.6	Confident	83.2	Confident	70 Å²	70	84.8 Å²	84.8	42%	0.424	43%	0.425	S	S	.	.	H	α-helix	trans	-61.6	-45.1	176.3	174.1	0	0	0	0	111.2	V529 Q530 M535 Q536 L537	V529-V533 WeakPolarHBondContact O-CG2 3.48Å; V529-V533 PolarHBondContact O-N 3.18Å; Q530-V533 PolarHBondContact O-N 3.34Å; V533-M535 PolarHBondContact O-N 2.88Å; V533-Q536 WeakPolarHBondContact O-CB 3.27Å; V533-Q536 PolarHBondContact O-N 2.8Å; V533-L537 PolarHBondContact O-N 3.2Å; V533-L537 VanDerWaalsContact O-N 3.11Å
534	N	86.6	Confident	83.9	Confident	90 Å²	90	89.9 Å²	89.9	48%	0.481	44%	0.442	S	S	.	.	H	α-helix	trans	-63.6	-41.6	177.1	-67.6	-3.9	0	0	0	112.1	Q530 A531 Q536 L537 Q538	Q530-N534 PolarHBondContact NE2-OD1 3.41Å; Q530-N534 PolarHBondContact O-N 2.99Å; Q530-N534 VanDerWaalsContact O-N 3.08Å; Q530-N534 PolarHBondContact O-OD1 3.49Å; A531-N534 PolarHBondContact O-N 3.35Å; N534-Q536 VanDerWaalsContact C-N 3.32Å; N534-Q536 PolarHBondContact O-N 3.14Å; N534-L537 PolarHBondContact O-N 3.29Å; N534-Q538 PolarHBondContact O-N 3.31Å; N534-Q538 VanDerWaalsContact O-N 3.12Å
535	M	82.8	Confident	84.7	Confident	27 Å²	27	85.7 Å²	85.7	13%	0.133	43%	0.428	C	S	.	.	H	α-helix	trans	-64.1	-35.7	174.5	-74.8	-173.2	-69.3	0	0	112.2	M523 H526 A531 V532 V533 Q538 R539	M523-M535 HydrophobicContact CG-CB 3.83Å; M523-M535 HydrophobicContact CG-CE 4.07Å; M523-M535 HydrophobicContact CG-SD 4.27Å; M523-M535 HydrophobicContact SD-CB 4.3Å; H526-M535 HydrophobicContact CB-CE 3.85Å; A531-M535 WeakPolarHBondContact O-CB 3.2Å; A531-M535 WeakPolarHBondContact O-CG 3.43Å; A531-M535 PolarHBondContact O-N 2.99Å; V532-M535 HydrophobicContact CG2-CE 4.14Å; V532-M535 PolarHBondContact O-N 2.64Å; V533-M535 PolarHBondContact O-N 2.88Å; M535-Q538 PolarHBondContact O-N 3.29Å; M535-R539 WeakPolarHBondContact O-CB 3.04Å; M535-R539 PolarHBondContact O-N 3.02Å
536	Q	85.8	Confident	85	Confident	59 Å²	59	80.3 Å²	80.3	28%	0.276	40%	0.399	S	S	.	.	H	α-helix	trans	-63.6	-46.2	176.5	179.9	60.9	26.8	0	0	111.5	M523 V532 V533 N534 Q538 R539 E540	M523-Q536 HydrophobicContact CE-CB 4.06Å; V532-Q536 WeakPolarHBondContact O-CB 3.36Å; V532-Q536 PolarHBondContact O-N 3.14Å; V533-Q536 WeakPolarHBondContact O-CB 3.27Å; V533-Q536 PolarHBondContact O-N 2.8Å; N534-Q536 VanDerWaalsContact C-N 3.32Å; N534-Q536 PolarHBondContact O-N 3.14Å; Q536-Q538 VanDerWaalsContact C-N 3.35Å; Q536-Q538 PolarHBondContact O-N 2.97Å; Q536-R539 WeakPolarHBondContact O-CB 3.09Å; Q536-R539 PolarHBondContact O-N 2.6Å; Q536-E540 PolarHBondContact NE2-OE1 3.4Å; Q536-E540 WeakPolarHBondContact O-CG 3.24Å; Q536-E540 PolarHBondContact O-N 3.13Å
537	L	89.1	Confident	85.5	Confident	96 Å²	96	79.2 Å²	79.2	50%	0.503	40%	0.401	S	S	.	.	H	α-helix	trans	-60.1	-45.4	175.4	-69.8	173.1	0	0	0	111.2	V533 N534 R539 E540 D541	V533-L537 PolarHBondContact O-N 3.2Å; V533-L537 VanDerWaalsContact O-N 3.11Å; N534-L537 PolarHBondContact O-N 3.29Å; L537-R539 VanDerWaalsContact C-N 3.3Å; L537-R539 PolarHBondContact O-N 3.49Å; L537-E540 PolarHBondContact O-N 3.31Å; L537-D541 PolarHBondContact O-N 3.16Å
538	Q	83.5	Confident	85.7	Confident	109 Å²	109	74.1 Å²	74.1	51%	0.509	39%	0.388	S	S	.	.	H	α-helix	trans	-63.8	-34.7	176.7	-170.3	178.5	7.2	0	0	112.6	M519 N534 M535 Q536 N542	M519-Q538 HydrophobicContact SD-CB 4.13Å; M519-Q538 HydrophobicContact SD-CG 3.88Å; N534-Q538 PolarHBondContact O-N 3.31Å; N534-Q538 VanDerWaalsContact O-N 3.12Å; M535-Q538 PolarHBondContact O-N 3.29Å; Q536-Q538 VanDerWaalsContact C-N 3.35Å; Q536-Q538 PolarHBondContact O-N 2.97Å; Q538-N542 PolarHBondContact O-N 2.83Å; Q538-N542 PolarHBondContact O-ND2 3.02Å
539	R	83	Confident	85.7	Confident	60 Å²	60	70.9 Å²	70.9	23%	0.226	37%	0.37	C	S	.	.	H	α-helix	trans	-63.8	-45.7	173.7	178	-177.5	172.5	-82.4	-1.1	110.9	I516 M519 E520 M535 Q536 L537 N542 I543	I516-R539 HydrophobicContact CG2-CG 4.45Å; M519-R539 HydrophobicContact SD-CB 4.37Å; E520-R539 VanDerWaalsContact CG-NE 3.33Å; E520-R539 IonicContact OE1-CZ 2.97Å; E520-R539 IonicContact OE1-NE 2.67Å; E520-R539 PolarHBondContact OE1-NE 3.41Å; E520-R539 IonicContact OE1-NH2 2.76Å; E520-R539 PolarHBondContact OE1-NH2 3.49Å; M535-R539 WeakPolarHBondContact O-CB 3.04Å; M535-R539 PolarHBondContact O-N 3.02Å; Q536-R539 WeakPolarHBondContact O-CB 3.09Å; Q536-R539 PolarHBondContact O-N 2.6Å; L537-R539 VanDerWaalsContact C-N 3.3Å; L537-R539 PolarHBondContact O-N 3.49Å; R539-N542 PolarHBondContact O-N 2.72Å; R539-I543 HydrophobicContact CG-CD1 3.96Å; R539-I543 VanDerWaalsContact CZ-CD1 3.5Å; R539-I543 VanDerWaalsContact NH1-CD1 3.33Å; R539-I543 VanDerWaalsContact O-CG1 3.31Å; R539-I543 WeakPolarHBondContact O-CG1 3.33Å; R539-I543 PolarHBondContact O-N 3.11Å
540	E	89	Confident	85.7	Confident	79 Å²	79	67.5 Å²	67.5	37%	0.369	35%	0.347	S	S	.	.	H	α-helix	trans	-62.8	-41.3	178.3	-72.5	172.2	-168.7	0	0	112.1	Q536 L537 N542 I543 R544	Q536-E540 PolarHBondContact NE2-OE1 3.4Å; Q536-E540 WeakPolarHBondContact O-CG 3.24Å; Q536-E540 PolarHBondContact O-N 3.13Å; L537-E540 PolarHBondContact O-N 3.31Å; E540-N542 PolarHBondContact O-N 3.1Å; E540-I543 PolarHBondContact O-N 3.46Å; E540-R544 WeakPolarHBondContact O-CG 3.45Å; E540-R544 PolarHBondContact O-N 2.97Å
541	D	90.3	Very high	85.7	Confident	71 Å²	71	68.8 Å²	68.8	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-45.1	173.2	-70	-5.4	0	0	0	111.8	L537 I543 R544 N545	L537-D541 PolarHBondContact O-N 3.16Å; D541-I543 VanDerWaalsContact C-N 3.34Å; D541-I543 PolarHBondContact O-N 3.25Å; D541-R544 PolarHBondContact O-N 2.78Å; D541-R544 IonicContact OD1-CZ 2.74Å; D541-R544 VanDerWaalsContact OD1-CZ 3.29Å; D541-R544 IonicContact OD1-NH1 2.89Å; D541-R544 PolarHBondContact OD1-NH1 3.22Å; D541-R544 IonicContact OD1-NH2 2.7Å; D541-R544 PolarHBondContact OD1-NH2 3.34Å; D541-N545 VanDerWaalsContact O-CG 3.32Å; D541-N545 PolarHBondContact O-N 3.2Å; D541-N545 PolarHBondContact O-ND2 2.69Å
542	N	81.5	Confident	85.7	Confident	23 Å²	23	68.7 Å²	68.7	12%	0.123	35%	0.352	C	S	.	.	H	α-helix	trans	-66.1	-35	177.3	-78.3	-55.5	0	0	0	112.6	T512 I516 M519 Q538 R539 E540 N545 L546	T512-N542 HydrophobicContact CG2-CB 4.21Å; T512-N542 WeakPolarHBondContact CG2-O 3.29Å; I516-N542 HydrophobicContact CD1-CB 4.2Å; I516-N542 HydrophobicContact CG1-CB 3.77Å; M519-N542 HydrophobicContact CE-CB 4.01Å; M519-N542 WeakPolarHBondContact CE-ND2 3.33Å; Q538-N542 PolarHBondContact O-N 2.83Å; Q538-N542 PolarHBondContact O-ND2 3.02Å; R539-N542 PolarHBondContact O-N 2.72Å; E540-N542 PolarHBondContact O-N 3.1Å; N542-N545 PolarHBondContact O-N 3Å; N542-L546 WeakPolarHBondContact O-CB 3.38Å; N542-L546 PolarHBondContact O-N 2.66Å
543	I	83.7	Confident	85.8	Confident	65 Å²	65	67 Å²	67	33%	0.333	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-43	173.4	-71.8	166.5	0	0	0	110.9	I516 R539 E540 D541 L546 S547	I516-I543 HydrophobicContact CD1-CG1 3.91Å; I516-I543 HydrophobicContact CG1-CG1 4.33Å; I516-I543 HydrophobicContact CG2-CG1 4.45Å; R539-I543 HydrophobicContact CG-CD1 3.96Å; R539-I543 VanDerWaalsContact CZ-CD1 3.5Å; R539-I543 VanDerWaalsContact NH1-CD1 3.33Å; R539-I543 VanDerWaalsContact O-CG1 3.31Å; R539-I543 WeakPolarHBondContact O-CG1 3.33Å; R539-I543 PolarHBondContact O-N 3.11Å; E540-I543 PolarHBondContact O-N 3.46Å; D541-I543 VanDerWaalsContact C-N 3.34Å; D541-I543 PolarHBondContact O-N 3.25Å; I543-L546 PolarHBondContact O-N 3.21Å; I543-S547 PolarHBondContact O-N 3.19Å; I543-S547 PolarHBondContact O-OG 2.93Å
544	R	89.5	Confident	85.6	Confident	143 Å²	143	66.9 Å²	66.9	54%	0.54	34%	0.337	S	S	.	.	H	α-helix	trans	-64.7	-38.3	174.8	-66.1	-164.2	-56.5	-87.8	6.1	112.3	E540 D541 S547 T548	E540-R544 WeakPolarHBondContact O-CG 3.45Å; E540-R544 PolarHBondContact O-N 2.97Å; D541-R544 PolarHBondContact O-N 2.78Å; D541-R544 IonicContact OD1-CZ 2.74Å; D541-R544 VanDerWaalsContact OD1-CZ 3.29Å; D541-R544 IonicContact OD1-NH1 2.89Å; D541-R544 PolarHBondContact OD1-NH1 3.22Å; D541-R544 IonicContact OD1-NH2 2.7Å; D541-R544 PolarHBondContact OD1-NH2 3.34Å; R544-S547 PolarHBondContact O-OG 3.34Å; R544-T548 WeakPolarHBondContact O-CB 3.39Å; R544-T548 PolarHBondContact O-N 3.36Å; R544-T548 VanDerWaalsContact O-N 3.14Å; R544-T548 PolarHBondContact O-OG1 2.87Å
545	N	88.9	Confident	85.4	Confident	88 Å²	88	66.9 Å²	66.9	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-66	-42.3	174.6	-72.8	-28.5	0	0	0	111.9	T512 D541 N542 T548 L549	T512-N545 HydrophobicContact CG2-CB 4.43Å; D541-N545 VanDerWaalsContact O-CG 3.32Å; D541-N545 PolarHBondContact O-N 3.2Å; D541-N545 PolarHBondContact O-ND2 2.69Å; N542-N545 PolarHBondContact O-N 3Å; N545-T548 PolarHBondContact O-N 3.42Å; N545-L549 WeakPolarHBondContact O-CB 3.32Å; N545-L549 WeakPolarHBondContact O-CG 3.36Å; N545-L549 PolarHBondContact O-N 3.03Å
546	L	81.8	Confident	85.5	Confident	26 Å²	26	69.8 Å²	69.8	14%	0.136	35%	0.352	C	S	.	.	H	α-helix	trans	-62.9	-45	178.1	-171.2	72.8	0	0	0	111	Y509 T512 E513 I516 N542 I543 T548 L549 Q550	Y509-L546 HydrophobicContact CD2-CD1 3.53Å; Y509-L546 HydrophobicContact CD2-CG 4.4Å; Y509-L546 HydrophobicContact CE2-CD1 3.44Å; Y509-L546 VanDerWaalsContact CE2-CD1 3.44Å; Y509-L546 HydrophobicContact CE2-CG 3.96Å; Y509-L546 HydrophobicContact CG-CD1 4.21Å; T512-L546 HydrophobicContact CG2-CB 4.01Å; T512-L546 HydrophobicContact CG2-CD1 4.18Å; E513-L546 HydrophobicContact CB-CD1 4.14Å; I516-L546 HydrophobicContact CD1-CB 4.17Å; I516-L546 HydrophobicContact CD1-CD2 3.85Å; N542-L546 WeakPolarHBondContact O-CB 3.38Å; N542-L546 PolarHBondContact O-N 2.66Å; I543-L546 PolarHBondContact O-N 3.21Å; L546-T548 VanDerWaalsContact C-N 3.33Å; L546-T548 PolarHBondContact O-N 2.96Å; L546-L549 PolarHBondContact O-N 3.31Å; L546-Q550 VanDerWaalsContact O-CB 3.23Å; L546-Q550 WeakPolarHBondContact O-CB 3.48Å; L546-Q550 PolarHBondContact O-N 3.34Å
547	S	84.4	Confident	85.4	Confident	65 Å²	65	67 Å²	67	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-38.9	178.4	66.1	0	0	0	0	112.3	I543 R544 Q550 F551	I543-S547 PolarHBondContact O-N 3.19Å; I543-S547 PolarHBondContact O-OG 2.93Å; R544-S547 PolarHBondContact O-OG 3.34Å; S547-Q550 PolarHBondContact O-N 3.48Å; S547-F551 WeakPolarHBondContact O-CB 3.34Å; S547-F551 PolarHBondContact O-N 2.83Å
548	T	88.6	Confident	85.1	Confident	97 Å²	97	64.8 Å²	64.8	60%	0.595	33%	0.33	S	S	*	.	H	α-helix	trans	-64.6	-46.9	175	-55.3	0	0	0	0	111.4	R544 N545 L546 F551 G552	R544-T548 WeakPolarHBondContact O-CB 3.39Å; R544-T548 PolarHBondContact O-N 3.36Å; R544-T548 VanDerWaalsContact O-N 3.14Å; R544-T548 PolarHBondContact O-OG1 2.87Å; N545-T548 PolarHBondContact O-N 3.42Å; L546-T548 VanDerWaalsContact C-N 3.33Å; L546-T548 PolarHBondContact O-N 2.96Å; T548-F551 PolarHBondContact O-N 3.3Å; T548-G552 PolarHBondContact O-N 2.95Å
549	L	86	Confident	85.1	Confident	26 Å²	26	63 Å²	63	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-43.5	175.8	-74.8	171.7	0	0	0	111.5	K508 Y509 N545 L546 G552 L553	K508-L549 HydrophobicContact CD-CD1 4.23Å; K508-L549 HydrophobicContact CD-CD2 4.28Å; K508-L549 HydrophobicContact CG-CD1 3.99Å; Y509-L549 HydrophobicContact CD2-CB 4.2Å; N545-L549 WeakPolarHBondContact O-CB 3.32Å; N545-L549 WeakPolarHBondContact O-CG 3.36Å; N545-L549 PolarHBondContact O-N 3.03Å; L546-L549 PolarHBondContact O-N 3.31Å; L549-G552 PolarHBondContact O-N 3.46Å; L549-L553 VanDerWaalsContact O-CB 3.32Å; L549-L553 WeakPolarHBondContact O-CB 3.18Å; L549-L553 VanDerWaalsContact O-CG 3.27Å; L549-L553 WeakPolarHBondContact O-CG 3.12Å; L549-L553 PolarHBondContact O-N 3.44Å
550	Q	84.3	Confident	85.2	Confident	41 Å²	41	60.9 Å²	60.9	19%	0.192	32%	0.323	C	S	.	.	H	α-helix	trans	-59.1	-50.1	178	-173.8	173.6	-43.3	0	0	111.2	I385 F389 Y509 L546 S547 G552 L553 Q554	I385-Q550 HydrophobicContact CG2-CG 3.81Å; F389-Q550 HydrophobicContact CE2-CG 4Å; F389-Q550 HydrophobicContact CZ-CG 4.04Å; Y509-Q550 HydrophobicContact CE2-CB 3.94Å; Y509-Q550 HydrophobicContact CE2-CG 4.36Å; L546-Q550 VanDerWaalsContact O-CB 3.23Å; L546-Q550 WeakPolarHBondContact O-CB 3.48Å; L546-Q550 PolarHBondContact O-N 3.34Å; S547-Q550 PolarHBondContact O-N 3.48Å; Q550-G552 PolarHBondContact O-N 2.92Å; Q550-L553 PolarHBondContact O-N 2.85Å; Q550-Q554 WeakPolarHBondContact O-CB 3.26Å; Q550-Q554 PolarHBondContact O-N 3.39Å
551	F	85.3	Confident	84.9	Confident	144 Å²	144	57.9 Å²	57.9	63%	0.632	31%	0.31	S	S	*	.	H	α-helix	trans	-60.4	-45.5	178.1	-178.3	-98.5	0	0	0	111.7	S547 T548 N555	S547-F551 WeakPolarHBondContact O-CB 3.34Å; S547-F551 PolarHBondContact O-N 2.83Å; T548-F551 PolarHBondContact O-N 3.3Å; F551-N555 WeakPolarHBondContact CZ-ND2 2.84Å; F551-N555 PolarHBondContact O-N 3.24Å; F551-N555 PolarHBondContact O-ND2 2.68Å
552	G	85	Confident	84.5	Confident	24 Å²	24	62.5 Å²	62.5	25%	0.247	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-50	177.2	0	0	0	0	0	112.9	T548 L549 Q550 Q554 N555 I556	T548-G552 PolarHBondContact O-N 2.95Å; L549-G552 PolarHBondContact O-N 3.46Å; Q550-G552 PolarHBondContact O-N 2.92Å; G552-Q554 PolarHBondContact O-N 3.29Å; G552-N555 PolarHBondContact O-N 3.34Å; G552-I556 WeakPolarHBondContact O-CB 3.1Å; G552-I556 WeakPolarHBondContact O-CD1 3.46Å; G552-I556 VanDerWaalsContact O-CG1 3.22Å; G552-I556 WeakPolarHBondContact O-CG1 3.22Å; G552-I556 PolarHBondContact O-N 2.91Å
553	L	85.7	Confident	84.6	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-41.3	-179.6	-73.5	174.3	0	0	0	112	F389 L505 L506 Y509 L549 Q550 N555 I556 L557	F389-L553 HydrophobicContact CD1-CB 4.42Å; F389-L553 HydrophobicContact CE1-CB 3.62Å; F389-L553 HydrophobicContact CZ-CB 3.68Å; L505-L553 HydrophobicContact CB-CD2 3.82Å; L506-L553 HydrophobicContact CD2-CD1 4.24Å; Y509-L553 HydrophobicContact CD2-CD1 4.26Å; Y509-L553 HydrophobicContact CG-CD1 4.09Å; L549-L553 VanDerWaalsContact O-CB 3.32Å; L549-L553 WeakPolarHBondContact O-CB 3.18Å; L549-L553 VanDerWaalsContact O-CG 3.27Å; L549-L553 WeakPolarHBondContact O-CG 3.12Å; L549-L553 PolarHBondContact O-N 3.44Å; Q550-L553 PolarHBondContact O-N 2.85Å; L553-N555 PolarHBondContact O-N 2.95Å; L553-I556 PolarHBondContact O-N 3.18Å; L553-L557 HydrophobicContact CB-CD1 4.06Å; L553-L557 HydrophobicContact CB-CG 4.26Å; L553-L557 HydrophobicContact CD2-CD1 3.99Å; L553-L557 HydrophobicContact CD2-CD2 4.05Å; L553-L557 HydrophobicContact CD2-CG 3.93Å; L553-L557 WeakPolarHBondContact O-CB 3.08Å; L553-L557 VanDerWaalsContact O-CG 3.31Å; L553-L557 WeakPolarHBondContact O-CG 3.42Å; L553-L557 PolarHBondContact O-N 3.36Å
554	Q	82.7	Confident	84.7	Confident	66 Å²	66	61.2 Å²	61.2	31%	0.308	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-28.4	-178.3	-173.7	172.6	-2.1	0	0	113.2	K388 F389 Q550 G552	K388-Q554 PolarHBondContact NZ-O 3.47Å; F389-Q554 HydrophobicContact CE1-CB 4.19Å; F389-Q554 HydrophobicContact CZ-CB 4.29Å; Q550-Q554 WeakPolarHBondContact O-CB 3.26Å; Q550-Q554 PolarHBondContact O-N 3.39Å; G552-Q554 PolarHBondContact O-N 3.29Å
555	N	82.4	Confident	84.4	Confident	91 Å²	91	56.4 Å²	56.4	49%	0.487	31%	0.31	S	S	.	.	H	α-helix	trans	-91.6	-36.8	178.5	-65.9	-25	0	0	0	112.6	F551 G552 L553 S559	F551-N555 WeakPolarHBondContact CZ-ND2 2.84Å; F551-N555 PolarHBondContact O-N 3.24Å; F551-N555 PolarHBondContact O-ND2 2.68Å; G552-N555 PolarHBondContact O-N 3.34Å; L553-N555 PolarHBondContact O-N 2.95Å; N555-S559 PolarHBondContact O-OG 3.34Å
556	I	85.1	Confident	84	Confident	88 Å²	88	55.9 Å²	55.9	45%	0.451	31%	0.314	S	S	.	.	H	α-helix	trans	-84.8	-40.7	-173.2	-65.5	167.5	0	0	0	112.5	G552 L553 S559 L560	G552-I556 WeakPolarHBondContact O-CB 3.1Å; G552-I556 WeakPolarHBondContact O-CD1 3.46Å; G552-I556 VanDerWaalsContact O-CG1 3.22Å; G552-I556 WeakPolarHBondContact O-CG1 3.22Å; G552-I556 PolarHBondContact O-N 2.91Å; L553-I556 PolarHBondContact O-N 3.18Å; I556-S559 PolarHBondContact O-OG 3.02Å; I556-L560 VanDerWaalsContact O-CB 3.24Å; I556-L560 WeakPolarHBondContact O-CB 3.31Å; I556-L560 PolarHBondContact O-N 3.46Å
557	L	83.5	Confident	84.1	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-44.2	-171.3	-68.4	-177.2	0	0	0	114.5	F389 E392 I396 L506 L553 S559 L560 V561	F389-L557 HydrophobicContact CD1-CD1 3.94Å; F389-L557 HydrophobicContact CE1-CD1 4.33Å; E392-L557 HydrophobicContact CB-CB 4.12Å; E392-L557 HydrophobicContact CB-CD1 4.01Å; E392-L557 VanDerWaalsContact CD-CB 3.5Å; E392-L557 HydrophobicContact CG-CB 4.13Å; E392-L557 WeakPolarHBondContact OE2-CB 3.4Å; E392-L557 WeakPolarHBondContact OE2-CD1 3.21Å; I396-L557 HydrophobicContact CD1-CD2 3.76Å; L506-L557 HydrophobicContact CD1-CD1 4.28Å; L506-L557 HydrophobicContact CD1-CD2 4.46Å; L506-L557 HydrophobicContact CD2-CD1 3.8Å; L506-L557 HydrophobicContact CG-CD1 4.15Å; L553-L557 HydrophobicContact CB-CD1 4.06Å; L553-L557 HydrophobicContact CB-CG 4.26Å; L553-L557 HydrophobicContact CD2-CD1 3.99Å; L553-L557 HydrophobicContact CD2-CD2 4.05Å; L553-L557 HydrophobicContact CD2-CG 3.93Å; L553-L557 WeakPolarHBondContact O-CB 3.08Å; L553-L557 VanDerWaalsContact O-CG 3.31Å; L553-L557 WeakPolarHBondContact O-CG 3.42Å; L553-L557 PolarHBondContact O-N 3.36Å; L557-S559 PolarHBondContact O-N 3.02Å; L557-L560 HydrophobicContact CD2-CD2 4.39Å; L557-L560 WeakPolarHBondContact O-CB 3.32Å; L557-L560 PolarHBondContact O-N 2.89Å; L557-V561 WeakPolarHBondContact O-CB 3.39Å; L557-V561 VanDerWaalsContact O-CG2 3.32Å; L557-V561 WeakPolarHBondContact O-CG2 3.49Å; L557-V561 PolarHBondContact O-N 3.15Å
558	P	82.4	Confident	84	Confident	48 Å²	48	53.4 Å²	53.4	31%	0.312	30%	0.295	S	S	.	.	H	α-helix	trans	-63.3	-43.1	179.1	-11.7	17.7	0	0	0	112.9	E392 V561 K562	E392-P558 VanDerWaalsContact OE1-CD 3.29Å; E392-P558 WeakPolarHBondContact OE1-CD 3.48Å; E392-P558 WeakPolarHBondContact OE1-CG 3.24Å; P558-V561 PolarHBondContact O-N 2.93Å; P558-K562 WeakPolarHBondContact O-CB 3.42Å; P558-K562 PolarHBondContact O-N 3.43Å
559	S	83.1	Confident	83.6	Confident	73 Å²	73	53.3 Å²	53.3	51%	0.51	29%	0.29	S	S	.	.	H	α-helix	trans	-67.7	-40.3	-179	59.5	0	0	0	0	111	N555 I556 L557 K562 S563	N555-S559 PolarHBondContact O-OG 3.34Å; I556-S559 PolarHBondContact O-OG 3.02Å; L557-S559 PolarHBondContact O-N 3.02Å; S559-K562 PolarHBondContact O-N 3Å; S559-S563 VanDerWaalsContact O-CB 3.29Å; S559-S563 WeakPolarHBondContact O-CB 3.35Å; S559-S563 PolarHBondContact O-N 3.23Å
560	L	85	Confident	83.3	Confident	15 Å²	15	54.8 Å²	54.8	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-58	-52.7	171.7	174.6	75.5	0	0	0	111.9	I396 L498 S502 I556 L557 K562 S563 A564	I396-L560 HydrophobicContact CD1-CD2 4.24Å; L498-L560 HydrophobicContact CD1-CD1 4.35Å; L498-L560 HydrophobicContact CD2-CD1 3.17Å; L498-L560 HydrophobicContact CG-CD1 3.42Å; L498-L560 VanDerWaalsContact CG-CD1 3.42Å; S502-L560 WeakPolarHBondContact OG-CD2 3.14Å; I556-L560 VanDerWaalsContact O-CB 3.24Å; I556-L560 WeakPolarHBondContact O-CB 3.31Å; I556-L560 PolarHBondContact O-N 3.46Å; L557-L560 HydrophobicContact CD2-CD2 4.39Å; L557-L560 WeakPolarHBondContact O-CB 3.32Å; L557-L560 PolarHBondContact O-N 2.89Å; L560-K562 VanDerWaalsContact C-N 3.32Å; L560-K562 PolarHBondContact O-N 3.26Å; L560-S563 PolarHBondContact O-N 3.3Å; L560-A564 WeakPolarHBondContact O-CB 3.27Å; L560-A564 PolarHBondContact O-N 3.42Å
561	V	83	Confident	83.3	Confident	16 Å²	16	53 Å²	53	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-44.6	-178.3	161.3	0	0	0	0	110.9	Y356 A395 I396 I399 L557 P558 N565	Y356-V561 HydrophobicContact CE1-CG1 3.52Å; Y356-V561 WeakPolarHBondContact OH-CG1 3.27Å; A395-V561 HydrophobicContact CB-CG1 4.29Å; A395-V561 HydrophobicContact CB-CG2 4.09Å; I396-V561 HydrophobicContact CG1-CG2 4.01Å; I399-V561 HydrophobicContact CD1-CG1 4.26Å; I399-V561 HydrophobicContact CD1-CG2 4.47Å; L557-V561 WeakPolarHBondContact O-CB 3.39Å; L557-V561 VanDerWaalsContact O-CG2 3.32Å; L557-V561 WeakPolarHBondContact O-CG2 3.49Å; L557-V561 PolarHBondContact O-N 3.15Å; P558-V561 PolarHBondContact O-N 2.93Å; V561-N565 PolarHBondContact O-N 3.13Å; V561-N565 PolarHBondContact O-ND2 3.19Å
562	K	83.2	Confident	83.2	Confident	168 Å²	168	47.9 Å²	47.9	73%	0.73	28%	0.277	S	S	*	.	H	α-helix	trans	-61.8	-47.6	176	-173.6	-179.9	179	-176.9	0	111.8	P558 S559 L560 N565 S566	P558-K562 WeakPolarHBondContact O-CB 3.42Å; P558-K562 PolarHBondContact O-N 3.43Å; S559-K562 PolarHBondContact O-N 3Å; L560-K562 VanDerWaalsContact C-N 3.32Å; L560-K562 PolarHBondContact O-N 3.26Å; K562-N565 PolarHBondContact O-N 2.88Å; K562-S566 PolarHBondContact O-N 2.99Å; K562-S566 VanDerWaalsContact O-N 3.11Å
563	S	82.6	Confident	82.9	Confident	59 Å²	59	52.2 Å²	52.2	41%	0.413	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-44.5	179	-178	0	0	0	0	111.9	S559 L560 N565 S566 I567	S559-S563 VanDerWaalsContact O-CB 3.29Å; S559-S563 WeakPolarHBondContact O-CB 3.35Å; S559-S563 PolarHBondContact O-N 3.23Å; L560-S563 PolarHBondContact O-N 3.3Å; S563-N565 PolarHBondContact O-N 3.41Å; S563-S566 WeakPolarHBondContact O-CB 3.47Å; S563-S566 PolarHBondContact O-N 3.48Å; S563-I567 VanDerWaalsContact O-CG1 3.3Å; S563-I567 WeakPolarHBondContact O-CG1 3.46Å; S563-I567 PolarHBondContact O-N 2.62Å
564	A	85.6	Confident	82.8	Confident	2 Å²	2	54.8 Å²	54.8	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-44	178.2	0	0	0	0	0	112.9	I399 L495 L560 I567 L568	I399-A564 HydrophobicContact CD1-CB 3.8Å; I399-A564 HydrophobicContact CG2-CB 3.97Å; L495-A564 HydrophobicContact CD1-CB 3.52Å; L560-A564 WeakPolarHBondContact O-CB 3.27Å; L560-A564 PolarHBondContact O-N 3.42Å; A564-I567 PolarHBondContact O-N 3.14Å; A564-L568 PolarHBondContact O-N 3.1Å
565	N	82.7	Confident	82.7	Confident	41 Å²	41	52.2 Å²	52.2	22%	0.219	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-42.4	173.9	-81	-32.2	0	0	0	112	I399 V561 K562 S563 I567 L568 I569	I399-N565 WeakPolarHBondContact CG1-OD1 3.47Å; V561-N565 PolarHBondContact O-N 3.13Å; V561-N565 PolarHBondContact O-ND2 3.19Å; K562-N565 PolarHBondContact O-N 2.88Å; S563-N565 PolarHBondContact O-N 3.41Å; N565-I567 VanDerWaalsContact C-N 3.35Å; N565-I567 PolarHBondContact O-N 3.39Å; N565-L568 PolarHBondContact O-N 2.97Å; N565-I569 WeakPolarHBondContact O-CG1 3.32Å; N565-I569 PolarHBondContact O-N 3.37Å
566	S	82.3	Confident	82.6	Confident	77 Å²	77	54.2 Å²	54.2	54%	0.538	30%	0.295	S	S	.	.	H	α-helix	trans	-61.5	-42.2	175.8	-177	0	0	0	0	112.2	K562 S563 L568 I569 S570	K562-S566 PolarHBondContact O-N 2.99Å; K562-S566 VanDerWaalsContact O-N 3.11Å; S563-S566 WeakPolarHBondContact O-CB 3.47Å; S563-S566 PolarHBondContact O-N 3.48Å; S566-L568 PolarHBondContact O-N 3.02Å; S566-I569 PolarHBondContact O-N 3.02Å; S566-S570 WeakPolarHBondContact O-CB 3.33Å; S566-S570 PolarHBondContact O-N 3.28Å; S566-S570 PolarHBondContact O-OG 3.42Å
567	I	82.9	Confident	82.3	Confident	14 Å²	14	52.2 Å²	52.2	7%	0.072	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-43.4	175.2	-68.7	165.2	0	0	0	110.9	R491 L495 S563 A564 N565 S570 A571	R491-I567 HydrophobicContact CG-CG2 3.61Å; L495-I567 HydrophobicContact CB-CG2 4.48Å; L495-I567 HydrophobicContact CD1-CD1 4.47Å; L495-I567 HydrophobicContact CD2-CB 4.33Å; L495-I567 HydrophobicContact CD2-CG2 4Å; S563-I567 VanDerWaalsContact O-CG1 3.3Å; S563-I567 WeakPolarHBondContact O-CG1 3.46Å; S563-I567 PolarHBondContact O-N 2.62Å; A564-I567 PolarHBondContact O-N 3.14Å; N565-I567 VanDerWaalsContact C-N 3.35Å; N565-I567 PolarHBondContact O-N 3.39Å; I567-S570 WeakPolarHBondContact CA-OG 3.22Å; I567-S570 PolarHBondContact O-OG 2.9Å; I567-A571 WeakPolarHBondContact O-CB 3.38Å; I567-A571 PolarHBondContact O-N 3.37Å
568	L	82.7	Confident	82.1	Confident	25 Å²	25	52.5 Å²	52.5	13%	0.131	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-44.6	179.8	-173.2	75.1	0	0	0	111.8	C403 L406 L492 A564 N565 S566 S572	C403-L568 HydrophobicContact CB-CD1 4.46Å; L406-L568 HydrophobicContact CB-CD1 4.29Å; L406-L568 HydrophobicContact CD2-CD1 3.69Å; L406-L568 HydrophobicContact CD2-CG 4.41Å; L492-L568 HydrophobicContact CD2-CD1 4.17Å; A564-L568 PolarHBondContact O-N 3.1Å; N565-L568 PolarHBondContact O-N 2.97Å; S566-L568 PolarHBondContact O-N 3.02Å; L568-S572 WeakPolarHBondContact O-CB 3.29Å; L568-S572 PolarHBondContact O-N 2.96Å
569	I	80.2	Confident	82	Confident	96 Å²	96	51.2 Å²	51.2	49%	0.492	28%	0.276	S	S	.	.	H	α-helix	trans	-64	-48.7	178.5	-67.3	167	0	0	0	110.5	N565 S566 S572 Q573	N565-I569 WeakPolarHBondContact O-CG1 3.32Å; N565-I569 PolarHBondContact O-N 3.37Å; S566-I569 PolarHBondContact O-N 3.02Å; I569-S572 WeakPolarHBondContact O-CB 3.41Å; I569-S572 PolarHBondContact O-N 2.73Å; I569-Q573 WeakPolarHBondContact O-CG 3.45Å; I569-Q573 PolarHBondContact O-N 3.46Å
570	S	80.5	Confident	81.7	Confident	57 Å²	57	50.5 Å²	50.5	40%	0.399	27%	0.271	S	S	.	.	H	α-helix	trans	-64.2	-40.7	179.2	54.5	0	0	0	0	112.5	S566 I567 S572 Q573 Y574	S566-S570 WeakPolarHBondContact O-CB 3.33Å; S566-S570 PolarHBondContact O-N 3.28Å; S566-S570 PolarHBondContact O-OG 3.42Å; I567-S570 WeakPolarHBondContact CA-OG 3.22Å; I567-S570 PolarHBondContact O-OG 2.9Å; S570-S572 PolarHBondContact O-N 3.04Å; S570-Q573 PolarHBondContact O-N 3.12Å; S570-Y574 WeakPolarHBondContact O-CB 3.48Å; S570-Y574 PolarHBondContact O-N 3.27Å
571	A	83.9	Confident	81.5	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-42.9	174.9	0	0	0	0	0	111.8	L406 V488 L492 I567 A575	L406-A571 HydrophobicContact CD2-CB 4.28Å; V488-A571 HydrophobicContact CG1-CB 4.22Å; L492-A571 HydrophobicContact CD2-CB 4.05Å; L492-A571 HydrophobicContact CG-CB 4.44Å; I567-A571 WeakPolarHBondContact O-CB 3.38Å; I567-A571 PolarHBondContact O-N 3.37Å; A571-A575 WeakPolarHBondContact O-CB 3.4Å; A571-A575 PolarHBondContact O-N 3.24Å
572	S	82.2	Confident	81.4	Confident	36 Å²	36	52.5 Å²	52.5	25%	0.252	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-51.1	175.2	-178.8	0	0	0	0	111.4	L568 I569 S570 Y574 A575 F576	L568-S572 WeakPolarHBondContact O-CB 3.29Å; L568-S572 PolarHBondContact O-N 2.96Å; I569-S572 WeakPolarHBondContact O-CB 3.41Å; I569-S572 PolarHBondContact O-N 2.73Å; S570-S572 PolarHBondContact O-N 3.04Å; S572-Y574 PolarHBondContact O-N 3.41Å; S572-A575 WeakPolarHBondContact O-CB 3.14Å; S572-A575 PolarHBondContact O-N 3.45Å; S572-F576 WeakPolarHBondContact O-CD2 3.43Å; S572-F576 PolarHBondContact O-N 3.44Å; S572-F576 VanDerWaalsContact O-N 3.15Å
573	Q	79.9	Confident	81.2	Confident	114 Å²	114	47 Å²	47	53%	0.533	26%	0.259	S	S	.	.	H	α-helix	trans	-59	-45.7	178.2	-72.1	172.4	-13.3	0	0	112.1	I569 S570 A575 F576 I577	I569-Q573 WeakPolarHBondContact O-CG 3.45Å; I569-Q573 PolarHBondContact O-N 3.46Å; S570-Q573 PolarHBondContact O-N 3.12Å; Q573-A575 VanDerWaalsContact C-N 3.33Å; Q573-A575 PolarHBondContact O-N 2.79Å; Q573-F576 PolarHBondContact O-N 3.37Å; Q573-I577 WeakPolarHBondContact O-CG1 3.45Å; Q573-I577 PolarHBondContact O-N 2.8Å
574	Y	83.7	Confident	80.9	Confident	60 Å²	60	47.6 Å²	47.6	24%	0.235	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-39.1	179.2	-168.2	-100.9	0	0	0	112.2	N487 V488 S570 S572 F576 I577 L578	N487-Y574 HydrophobicContact CB-CD1 4.08Å; N487-Y574 HydrophobicContact CB-CE1 3.55Å; N487-Y574 PolarHBondContact ND2-OH 2.96Å; V488-Y574 HydrophobicContact CG2-CD1 3.64Å; V488-Y574 HydrophobicContact CG2-CE1 4.45Å; S570-Y574 WeakPolarHBondContact O-CB 3.48Å; S570-Y574 PolarHBondContact O-N 3.27Å; S572-Y574 PolarHBondContact O-N 3.41Å; Y574-F576 VanDerWaalsContact C-N 3.34Å; Y574-F576 PolarHBondContact O-N 3.35Å; Y574-I577 PolarHBondContact O-N 3.13Å; Y574-L578 HydrophobicContact CD1-CD1 3.77Å; Y574-L578 HydrophobicContact CD1-CG 4Å; Y574-L578 HydrophobicContact CE1-CD1 3.46Å; Y574-L578 VanDerWaalsContact CE1-CD1 3.46Å; Y574-L578 HydrophobicContact CE1-CD2 4.07Å; Y574-L578 HydrophobicContact CE1-CG 3.71Å; Y574-L578 WeakPolarHBondContact O-CG 3.35Å; Y574-L578 PolarHBondContact O-N 3.43Å
575	A	80.1	Confident	80.5	Confident	11 Å²	11	50.9 Å²	50.9	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-41.3	175	0	0	0	0	0	112.1	V410 M484 V488 A571 S572 Q573 Q579	V410-A575 HydrophobicContact CG2-CB 4Å; M484-A575 HydrophobicContact CE-CB 4.14Å; M484-A575 HydrophobicContact SD-CB 3.93Å; V488-A575 HydrophobicContact CG1-CB 4.44Å; V488-A575 HydrophobicContact CG2-CB 4.36Å; A571-A575 WeakPolarHBondContact O-CB 3.4Å; A571-A575 PolarHBondContact O-N 3.24Å; S572-A575 WeakPolarHBondContact O-CB 3.14Å; S572-A575 PolarHBondContact O-N 3.45Å; Q573-A575 VanDerWaalsContact C-N 3.33Å; Q573-A575 PolarHBondContact O-N 2.79Å; A575-Q579 PolarHBondContact O-N 3.5Å; A575-Q579 VanDerWaalsContact O-N 3.1Å
576	F	79.5	Confident	80.3	Confident	134 Å²	134	49.9 Å²	49.9	59%	0.588	27%	0.268	S	S	*	.	H	α-helix	trans	-64.3	-43.4	174.6	-79.5	-70.2	0	0	0	112.5	S572 Q573 Y574 Q579 S580	S572-F576 WeakPolarHBondContact O-CD2 3.43Å; S572-F576 PolarHBondContact O-N 3.44Å; S572-F576 VanDerWaalsContact O-N 3.15Å; Q573-F576 PolarHBondContact O-N 3.37Å; Y574-F576 VanDerWaalsContact C-N 3.34Å; Y574-F576 PolarHBondContact O-N 3.35Å; F576-Q579 WeakPolarHBondContact O-CB 3.47Å; F576-Q579 PolarHBondContact O-N 2.91Å; F576-S580 PolarHBondContact O-N 2.97Å
577	I	78.6	Confident	79.9	Confident	45 Å²	45	47.8 Å²	47.8	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-46.2	178.2	-67.6	166.2	0	0	0	110.7	Q573 Y574 Q579 S580 N581	Q573-I577 WeakPolarHBondContact O-CG1 3.45Å; Q573-I577 PolarHBondContact O-N 2.8Å; Y574-I577 PolarHBondContact O-N 3.13Å; I577-Q579 VanDerWaalsContact C-N 3.28Å; I577-Q579 PolarHBondContact O-N 3.39Å; I577-S580 WeakPolarHBondContact O-CB 3.36Å; I577-S580 PolarHBondContact O-N 3.1Å; I577-S580 VanDerWaalsContact O-N 3.17Å; I577-N581 VanDerWaalsContact O-CG 3.28Å; I577-N581 PolarHBondContact O-N 3.18Å
578	L	79.5	Confident	79.7	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-41.7	176.3	-75.9	-178.2	0	0	0	112.1	Y480 K483 M484 Y574 N581 L582	Y480-L578 HydrophobicContact CD2-CB 4.01Å; Y480-L578 HydrophobicContact CE2-CB 4.04Å; K483-L578 HydrophobicContact CB-CD1 3.9Å; K483-L578 HydrophobicContact CB-CD2 3.93Å; K483-L578 HydrophobicContact CD-CD2 3.83Å; M484-L578 HydrophobicContact CB-CD1 4.24Å; M484-L578 HydrophobicContact CE-CB 4.18Å; M484-L578 HydrophobicContact CE-CD1 4.06Å; M484-L578 HydrophobicContact SD-CD1 4.1Å; Y574-L578 HydrophobicContact CD1-CD1 3.77Å; Y574-L578 HydrophobicContact CD1-CG 4Å; Y574-L578 HydrophobicContact CE1-CD1 3.46Å; Y574-L578 VanDerWaalsContact CE1-CD1 3.46Å; Y574-L578 HydrophobicContact CE1-CD2 4.07Å; Y574-L578 HydrophobicContact CE1-CG 3.71Å; Y574-L578 WeakPolarHBondContact O-CG 3.35Å; Y574-L578 PolarHBondContact O-N 3.43Å; L578-N581 PolarHBondContact O-N 3.23Å; L578-L582 PolarHBondContact O-N 3.37Å
579	Q	81.3	Confident	79.4	Confident	20 Å²	20	50.7 Å²	50.7	9%	0.093	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-43.3	176.7	-169.7	69.7	27.4	0	0	111.5	T417 Y480 A575 F576 I577 L582 M583	T417-Q579 PolarHBondContact OG1-NE2 2.91Å; T417-Q579 VanDerWaalsContact OG1-NE2 3.07Å; Y480-Q579 PolarHBondContact OH-OE1 3.35Å; A575-Q579 PolarHBondContact O-N 3.5Å; A575-Q579 VanDerWaalsContact O-N 3.1Å; F576-Q579 WeakPolarHBondContact O-CB 3.47Å; F576-Q579 PolarHBondContact O-N 2.91Å; I577-Q579 VanDerWaalsContact C-N 3.28Å; I577-Q579 PolarHBondContact O-N 3.39Å; Q579-L582 PolarHBondContact O-N 2.89Å; Q579-M583 WeakPolarHBondContact O-CG 3.44Å; Q579-M583 PolarHBondContact O-N 3.02Å; Q579-M583 VanDerWaalsContact O-N 3.08Å
580	S	76.3	Confident	79	Confident	59 Å²	59	47.5 Å²	47.5	41%	0.413	25%	0.25	S	C	.	.	H	α-helix	trans	-58.8	-48.1	175.9	-170.2	0	0	0	0	111	F576 I577 L582 M583 Q584	F576-S580 PolarHBondContact O-N 2.97Å; I577-S580 WeakPolarHBondContact O-CB 3.36Å; I577-S580 PolarHBondContact O-N 3.1Å; I577-S580 VanDerWaalsContact O-N 3.17Å; S580-L582 VanDerWaalsContact C-N 3.34Å; S580-L582 PolarHBondContact O-N 3.42Å; S580-M583 PolarHBondContact O-N 2.92Å; S580-M583 VanDerWaalsContact O-N 3.1Å; S580-Q584 PolarHBondContact O-N 3.41Å
581	N	79.8	Confident	78.5	Confident	72 Å²	72	47 Å²	47	39%	0.385	24%	0.241	S	C	.	.	H	α-helix	trans	-60.8	-41.1	178.7	-69.3	-13	0	0	0	112.3	I577 L578 M583 Q584 Q585	I577-N581 VanDerWaalsContact O-CG 3.28Å; I577-N581 PolarHBondContact O-N 3.18Å; L578-N581 PolarHBondContact O-N 3.23Å; N581-M583 VanDerWaalsContact C-N 3.34Å; N581-M583 PolarHBondContact O-N 2.72Å; N581-Q584 PolarHBondContact O-N 2.9Å; N581-Q585 VanDerWaalsContact O-CG 3.31Å; N581-Q585 WeakPolarHBondContact O-CG 3.38Å; N581-Q585 PolarHBondContact O-N 3.29Å
582	L	81.3	Confident	78	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-43.1	174.7	176.9	65.7	0	0	0	111.7	T417 I421 L472 Y475 M476 Y480 L578 Q579 S580 Q585 A586	T417-L582 HydrophobicContact CG2-CD2 3.6Å; I421-L582 HydrophobicContact CD1-CD2 4.47Å; L472-L582 HydrophobicContact CD1-CD1 3.79Å; Y475-L582 HydrophobicContact CD1-CD1 3.59Å; Y475-L582 HydrophobicContact CE1-CB 4.42Å; Y475-L582 HydrophobicContact CE1-CD1 4.03Å; M476-L582 HydrophobicContact CB-CD1 4.17Å; M476-L582 HydrophobicContact CG-CD2 4.38Å; Y480-L582 HydrophobicContact CD1-CD2 4.24Å; Y480-L582 HydrophobicContact CD2-CB 3.95Å; Y480-L582 HydrophobicContact CD2-CD2 3.93Å; Y480-L582 HydrophobicContact CD2-CG 4.48Å; Y480-L582 HydrophobicContact CE1-CD2 4.43Å; Y480-L582 HydrophobicContact CE2-CB 4.45Å; Y480-L582 HydrophobicContact CE2-CD2 4.09Å; Y480-L582 HydrophobicContact CG-CD2 4Å; L578-L582 PolarHBondContact O-N 3.37Å; Q579-L582 PolarHBondContact O-N 2.89Å; S580-L582 VanDerWaalsContact C-N 3.34Å; S580-L582 PolarHBondContact O-N 3.42Å; L582-Q585 PolarHBondContact O-N 3.44Å; L582-A586 PolarHBondContact O-N 3.28Å
583	M	80.3	Confident	77.3	Confident	52 Å²	52	51.5 Å²	51.5	26%	0.256	26%	0.257	S	S	.	.	H	α-helix	trans	-69.8	-33.3	178.5	-63.3	-63.1	90.8	0	0	112.5	T417 Q579 S580 N581 E587	T417-M583 HydrophobicContact CG2-CE 4.01Å; Q579-M583 WeakPolarHBondContact O-CG 3.44Å; Q579-M583 PolarHBondContact O-N 3.02Å; Q579-M583 VanDerWaalsContact O-N 3.08Å; S580-M583 PolarHBondContact O-N 2.92Å; S580-M583 VanDerWaalsContact O-N 3.1Å; N581-M583 VanDerWaalsContact C-N 3.34Å; N581-M583 PolarHBondContact O-N 2.72Å; M583-E587 WeakPolarHBondContact O-CB 3.24Å; M583-E587 PolarHBondContact O-N 3.29Å; M583-E587 VanDerWaalsContact O-N 3.1Å
584	Q	75.1	Confident	76.5	Confident	73 Å²	73	46.4 Å²	46.4	34%	0.341	23%	0.233	S	C	.	.	H	α-helix	trans	-67.5	-41.2	172.7	-171.4	63.3	46.8	0	0	111.2	S580 N581 A586 E587 N588	S580-Q584 PolarHBondContact O-N 3.41Å; N581-Q584 PolarHBondContact O-N 2.9Å; Q584-A586 VanDerWaalsContact C-N 3.35Å; Q584-E587 PolarHBondContact O-N 3.47Å; Q584-N588 PolarHBondContact NE2-OD1 3.49Å; Q584-N588 WeakPolarHBondContact O-CB 3.34Å; Q584-N588 PolarHBondContact O-N 2.94Å; Q584-N588 PolarHBondContact O-OD1 3.3Å
585	Q	78	Confident	75.6	Confident	70 Å²	70	46.9 Å²	46.9	33%	0.327	24%	0.24	S	C	.	.	H	α-helix	trans	-64.2	-40.5	175.8	-72.8	-63.5	-15.8	0	0	112	Y475 N581 L582 E587 N588 L589	Y475-Q585 HydrophobicContact CD1-CB 4.44Å; Y475-Q585 HydrophobicContact CD1-CG 4.46Å; Y475-Q585 HydrophobicContact CD2-CG 4.15Å; Y475-Q585 HydrophobicContact CE1-CB 4.39Å; Y475-Q585 HydrophobicContact CE1-CG 4.05Å; Y475-Q585 HydrophobicContact CE2-CG 3.72Å; N581-Q585 VanDerWaalsContact O-CG 3.31Å; N581-Q585 WeakPolarHBondContact O-CG 3.38Å; N581-Q585 PolarHBondContact O-N 3.29Å; L582-Q585 PolarHBondContact O-N 3.44Å; Q585-E587 VanDerWaalsContact C-N 3.31Å; Q585-E587 PolarHBondContact O-N 3.39Å; Q585-N588 PolarHBondContact O-N 3.02Å; Q585-L589 WeakPolarHBondContact O-CB 3.16Å; Q585-L589 VanDerWaalsContact O-CG 3.25Å; Q585-L589 WeakPolarHBondContact O-CG 3.44Å; Q585-L589 PolarHBondContact O-N 3.41Å
586	A	77.6	Confident	74.7	Confident	21 Å²	21	49.5 Å²	49.5	17%	0.174	25%	0.252	C	S	.	.	H	α-helix	trans	-57.7	-46.3	172.8	0	0	0	0	0	111.5	L472 L582 Q584 L589 V590	L472-A586 HydrophobicContact CD1-CB 3.86Å; L472-A586 HydrophobicContact CD2-CB 3.61Å; L472-A586 HydrophobicContact CG-CB 4.41Å; L582-A586 PolarHBondContact O-N 3.28Å; Q584-A586 VanDerWaalsContact C-N 3.35Å; A586-L589 PolarHBondContact O-N 3.13Å; A586-V590 VanDerWaalsContact O-CG2 3.32Å; A586-V590 WeakPolarHBondContact O-CG2 3.12Å; A586-V590 PolarHBondContact O-N 2.68Å
587	E	74.5	Confident	73.6	Confident	32 Å²	32	44.5 Å²	44.5	15%	0.15	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-45	178.5	-176.2	172.7	147.5	0	0	112.5	M583 Q584 Q585 L589 V590 H591 Y627 K630	M583-E587 WeakPolarHBondContact O-CB 3.24Å; M583-E587 PolarHBondContact O-N 3.29Å; M583-E587 VanDerWaalsContact O-N 3.1Å; Q584-E587 PolarHBondContact O-N 3.47Å; Q585-E587 VanDerWaalsContact C-N 3.31Å; Q585-E587 PolarHBondContact O-N 3.39Å; E587-L589 VanDerWaalsContact C-N 3.35Å; E587-L589 PolarHBondContact O-N 3.23Å; E587-V590 PolarHBondContact O-N 3.05Å; E587-H591 WeakPolarHBondContact O-CB 3.35Å; E587-H591 PolarHBondContact O-CD2 2.96Å; E587-H591 PolarHBondContact O-N 3.19Å; E587-Y627 PolarHBondContact OE1-OH 3Å; E587-K630 IonicContact OE2-NZ 3.81Å; E587-K630 PolarHBondContact OE2-NZ 3.47Å
588	N	78.7	Confident	72.4	Confident	71 Å²	71	44.8 Å²	44.8	38%	0.38	23%	0.233	S	C	.	.	H	α-helix	trans	-63.3	-39.7	177.4	-68.4	-6.1	0	0	0	112.1	Q584 Q585 H591 K592	Q584-N588 PolarHBondContact NE2-OD1 3.49Å; Q584-N588 WeakPolarHBondContact O-CB 3.34Å; Q584-N588 PolarHBondContact O-N 2.94Å; Q584-N588 PolarHBondContact O-OD1 3.3Å; Q585-N588 PolarHBondContact O-N 3.02Å; N588-H591 PolarHBondContact O-N 3.37Å; N588-K592 WeakPolarHBondContact O-CB 3.38Å; N588-K592 PolarHBondContact O-N 3.45Å
589	L	76.8	Confident	71	Confident	30 Å²	30	52.3 Å²	52.3	16%	0.157	27%	0.266	C	S	.	.	H	α-helix	trans	-66.9	-42.2	177.9	-74.2	169.3	0	0	0	111.6	A468 T471 L472 Q585 A586 E587 K592 C593	A468-L589 HydrophobicContact CB-CB 4.03Å; T471-L589 HydrophobicContact CG2-CD1 4.05Å; T471-L589 HydrophobicContact CG2-CD2 3.8Å; L472-L589 HydrophobicContact CB-CD1 3.88Å; L472-L589 HydrophobicContact CD1-CD1 4.36Å; Q585-L589 WeakPolarHBondContact O-CB 3.16Å; Q585-L589 VanDerWaalsContact O-CG 3.25Å; Q585-L589 WeakPolarHBondContact O-CG 3.44Å; Q585-L589 PolarHBondContact O-N 3.41Å; A586-L589 PolarHBondContact O-N 3.13Å; E587-L589 VanDerWaalsContact C-N 3.35Å; E587-L589 PolarHBondContact O-N 3.23Å; L589-K592 PolarHBondContact O-N 3.43Å; L589-C593 PolarHBondContact O-N 3.48Å; L589-C593 PolarHBondContact O-SG 3.33Å
590	V	72.2	Confident	69.3	Low	28 Å²	28	53.5 Å²	53.5	17%	0.17	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-49.6	173.4	170.3	0	0	0	0	110	Y465 A586 E587 K592 C593 I594	Y465-V590 HydrophobicContact CE1-CG1 4.04Å; Y465-V590 HydrophobicContact CE1-CG2 4.21Å; A586-V590 VanDerWaalsContact O-CG2 3.32Å; A586-V590 WeakPolarHBondContact O-CG2 3.12Å; A586-V590 PolarHBondContact O-N 2.68Å; E587-V590 PolarHBondContact O-N 3.05Å; V590-K592 VanDerWaalsContact C-N 3.28Å; V590-K592 PolarHBondContact O-N 3.24Å; V590-C593 WeakPolarHBondContact O-CB 3.44Å; V590-C593 PolarHBondContact O-N 3.47Å; V590-C593 VanDerWaalsContact O-N 3.07Å; V590-I594 HydrophobicContact CG1-CD1 3.71Å; V590-I594 VanDerWaalsContact O-CD1 3.28Å; V590-I594 WeakPolarHBondContact O-CD1 3.39Å; V590-I594 WeakPolarHBondContact O-CG1 3.36Å; V590-I594 PolarHBondContact O-N 3.48Å
591	H	69.8	Low	67.6	Low	48 Å²	48	57.7 Å²	57.7	22%	0.222	29%	0.294	C	S	.	.	H	α-helix	trans	-57.6	-38.2	176	-90.5	-58.2	0	0	0	113.7	E587 N588 I594 N595 K623	E587-H591 WeakPolarHBondContact O-CB 3.35Å; E587-H591 PolarHBondContact O-CD2 2.96Å; E587-H591 PolarHBondContact O-N 3.19Å; N588-H591 PolarHBondContact O-N 3.37Å; H591-I594 WeakPolarHBondContact O-CB 3.39Å; H591-I594 PolarHBondContact O-N 3.43Å; H591-N595 VanDerWaalsContact O-CG 3.24Å; H591-N595 PolarHBondContact O-N 3.38Å; H591-N595 PolarHBondContact O-OD1 2.77Å; H591-K623 PolarHBondContact CE1-NZ 3Å; H591-K623 VanDerWaalsContact CE1-NZ 3.25Å; H591-K623 WeakPolarHBondContact NE2-CE 3.39Å; H591-K623 PolarHBondContact NE2-NZ 2.92Å; H591-K623 VanDerWaalsContact NE2-NZ 3.14Å
592	K	73.8	Confident	65.6	Low	122 Å²	122	60.1 Å²	60.1	53%	0.53	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-43.2	175	-172.4	-176.6	174.3	-168.8	0	111.5	N588 L589 V590 I594 N595 D596	N588-K592 WeakPolarHBondContact O-CB 3.38Å; N588-K592 PolarHBondContact O-N 3.45Å; L589-K592 PolarHBondContact O-N 3.43Å; V590-K592 VanDerWaalsContact C-N 3.28Å; V590-K592 PolarHBondContact O-N 3.24Å; K592-I594 VanDerWaalsContact C-N 3.27Å; K592-I594 PolarHBondContact O-N 3.12Å; K592-N595 PolarHBondContact O-N 2.95Å; K592-D596 VanDerWaalsContact CE-OD2 3.28Å; K592-D596 WeakPolarHBondContact CE-OD2 3.35Å; K592-D596 WeakPolarHBondContact O-CB 3.33Å; K592-D596 VanDerWaalsContact O-CG 3.26Å; K592-D596 PolarHBondContact O-N 3.41Å
593	C	67.5	Low	63.6	Low	11 Å²	11	65.5 Å²	65.5	7%	0.074	34%	0.343	C	S	.	.	H	α-helix	trans	-59.6	-41.1	177	-66.1	0	0	0	0	112.3	N464 A468 L589 V590 T597	N464-C593 HydrophobicContact CB-CB 4.08Å; N464-C593 PolarHBondContact O-SG 3.13Å; A468-C593 WeakPolarHBondContact CB-SG 3.36Å; L589-C593 PolarHBondContact O-N 3.48Å; L589-C593 PolarHBondContact O-SG 3.33Å; V590-C593 WeakPolarHBondContact O-CB 3.44Å; V590-C593 PolarHBondContact O-N 3.47Å; V590-C593 VanDerWaalsContact O-N 3.07Å; C593-T597 PolarHBondContact O-N 3.49Å; C593-T597 VanDerWaalsContact O-N 3.15Å; C593-T597 PolarHBondContact O-OG1 3.05Å
594	I	61.8	Low	61.4	Low	7 Å²	7	68.2 Å²	68.2	4%	0.036	36%	0.358	C	S	.	.	H	α-helix	trans	-58.7	-58.3	174.9	-69.3	153.5	0	0	0	109.3	V590 H591 K592 D596 T597 E598 F615 V619	V590-I594 HydrophobicContact CG1-CD1 3.71Å; V590-I594 VanDerWaalsContact O-CD1 3.28Å; V590-I594 WeakPolarHBondContact O-CD1 3.39Å; V590-I594 WeakPolarHBondContact O-CG1 3.36Å; V590-I594 PolarHBondContact O-N 3.48Å; H591-I594 WeakPolarHBondContact O-CB 3.39Å; H591-I594 PolarHBondContact O-N 3.43Å; K592-I594 VanDerWaalsContact C-N 3.27Å; K592-I594 PolarHBondContact O-N 3.12Å; I594-D596 VanDerWaalsContact C-N 3.33Å; I594-D596 PolarHBondContact O-N 3.43Å; I594-T597 WeakPolarHBondContact O-CB 3.25Å; I594-T597 PolarHBondContact O-N 2.85Å; I594-T597 VanDerWaalsContact O-N 3.08Å; I594-E598 PolarHBondContact O-N 3.2Å; I594-E598 VanDerWaalsContact O-N 3.08Å; I594-F615 HydrophobicContact CB-CE1 4.12Å; I594-F615 HydrophobicContact CG2-CD1 4.38Å; I594-F615 HydrophobicContact CG2-CE1 3.64Å; I594-F615 HydrophobicContact CG2-CZ 4.46Å; I594-F615 VanDerWaalsContact O-CE1 3.26Å; I594-F615 WeakPolarHBondContact O-CE1 3.34Å; I594-V619 HydrophobicContact CB-CG1 4.17Å; I594-V619 HydrophobicContact CB-CG2 4.39Å; I594-V619 HydrophobicContact CD1-CB 4.28Å; I594-V619 HydrophobicContact CD1-CG1 3.12Å; I594-V619 HydrophobicContact CD1-CG2 4.26Å; I594-V619 HydrophobicContact CG1-CB 4.22Å; I594-V619 HydrophobicContact CG1-CG1 3.5Å; I594-V619 VanDerWaalsContact CG1-CG1 3.5Å; I594-V619 HydrophobicContact CG1-CG2 3.71Å; I594-V619 HydrophobicContact CG2-CB 4.22Å; I594-V619 HydrophobicContact CG2-CG1 3.65Å; I594-V619 HydrophobicContact CG2-CG2 4Å
595	N	65.6	Low	59.2	Low	70 Å²	70	72.8 Å²	72.8	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-66.1	-33.3	-175.2	-65	-3.6	0	0	0	113.1	H591 K592 T597 E598 K599	H591-N595 VanDerWaalsContact O-CG 3.24Å; H591-N595 PolarHBondContact O-N 3.38Å; H591-N595 PolarHBondContact O-OD1 2.77Å; K592-N595 PolarHBondContact O-N 2.95Å; N595-T597 VanDerWaalsContact C-N 3.29Å; N595-E598 PolarHBondContact O-N 3.01Å; N595-K599 WeakPolarHBondContact O-CB 3.39Å; N595-K599 WeakPolarHBondContact O-CG 3.22Å; N595-K599 PolarHBondContact O-N 3.26Å
596	D	60.5	Low	57.1	Low	66 Å²	66	76.2 Å²	76.2	35%	0.353	41%	0.407	S	S	.	.	H	α-helix	trans	-67.2	-33.9	176.2	-73.5	-12.7	0	0	0	110.6	K592 I594 K599 S600	K592-D596 VanDerWaalsContact CE-OD2 3.28Å; K592-D596 WeakPolarHBondContact CE-OD2 3.35Å; K592-D596 WeakPolarHBondContact O-CB 3.33Å; K592-D596 VanDerWaalsContact O-CG 3.26Å; K592-D596 PolarHBondContact O-N 3.41Å; I594-D596 VanDerWaalsContact C-N 3.33Å; I594-D596 PolarHBondContact O-N 3.43Å; D596-K599 PolarHBondContact O-N 3.47Å; D596-S600 WeakPolarHBondContact O-CB 3.41Å; D596-S600 PolarHBondContact O-N 3.21Å; D596-S600 PolarHBondContact O-OG 3.02Å; D596-S600 VanDerWaalsContact O-OG 3.04Å
597	T	57.2	Low	55.4	Low	29 Å²	29	78 Å²	78	18%	0.178	43%	0.428	C	S	.	.	H	α-helix	trans	-68.5	-35.1	172.6	-49.4	0	0	0	0	111.7	L461 N464 C593 I594 N595 S600 F615	L461-T597 HydrophobicContact CD1-CG2 4.49Å; N464-T597 PolarHBondContact ND2-OG1 2.87Å; C593-T597 PolarHBondContact O-N 3.49Å; C593-T597 VanDerWaalsContact O-N 3.15Å; C593-T597 PolarHBondContact O-OG1 3.05Å; I594-T597 WeakPolarHBondContact O-CB 3.25Å; I594-T597 PolarHBondContact O-N 2.85Å; I594-T597 VanDerWaalsContact O-N 3.08Å; N595-T597 VanDerWaalsContact C-N 3.29Å; T597-S600 WeakPolarHBondContact CA-OG 3.42Å; T597-S600 PolarHBondContact O-OG 3.5Å; T597-F615 HydrophobicContact CG2-CE1 4.44Å; T597-F615 HydrophobicContact CG2-CE2 3.94Å; T597-F615 HydrophobicContact CG2-CZ 3.83Å
598	E	52.6	Low	53.6	Low	52 Å²	52	79.9 Å²	79.9	24%	0.243	44%	0.444	C	S	.	.	H	α-helix	trans	-71.3	-39.1	174.3	-68.7	173.9	-172.4	0	0	112.9	I594 N595 F615 I616	I594-E598 PolarHBondContact O-N 3.2Å; I594-E598 VanDerWaalsContact O-N 3.08Å; N595-E598 PolarHBondContact O-N 3.01Å; E598-F615 HydrophobicContact CG-CD1 3.54Å; E598-F615 HydrophobicContact CG-CE1 3.88Å; E598-I616 WeakPolarHBondContact OE1-CG1 3.44Å
599	K	51.1	Low	51.6	Low	166 Å²	166	83 Å²	83	72%	0.722	46%	0.461	S	S	*	.	H	α-helix	trans	-78.1	-27.2	-179.3	-75	-178.7	-178.8	-178.9	0	113	N595 D596 N601	N595-K599 WeakPolarHBondContact O-CB 3.39Å; N595-K599 WeakPolarHBondContact O-CG 3.22Å; N595-K599 PolarHBondContact O-N 3.26Å; D596-K599 PolarHBondContact O-N 3.47Å; K599-N601 PolarHBondContact O-N 2.93Å
600	S	45.4	Very low	50.1	Low	45 Å²	45	84.1 Å²	84.1	32%	0.315	47%	0.466	S	S	.	.			trans	-68	75.7	164.2	58.4	0	0	0	0	109.3	D596 T597 I602	D596-S600 WeakPolarHBondContact O-CB 3.41Å; D596-S600 PolarHBondContact O-N 3.21Å; D596-S600 PolarHBondContact O-OG 3.02Å; D596-S600 VanDerWaalsContact O-OG 3.04Å; T597-S600 WeakPolarHBondContact CA-OG 3.42Å; T597-S600 PolarHBondContact O-OG 3.5Å; S600-I602 PolarHBondContact O-N 3.27Å
601	N	41.1	Very low	48.6	Very low	146 Å²	146	85.8 Å²	85.8	78%	0.781	48%	0.479	S	S	*	.			trans	-63.3	29.9	156.4	-86.5	-23.1	0	0	0	111.2	K599 S603	K599-N601 PolarHBondContact O-N 2.93Å; N601-S603 PolarHBondContact O-N 3.48Å; N601-S603 VanDerWaalsContact O-N 3.07Å
602	I	37.2	Very low	47.1	Very low	124 Å²	124	87 Å²	87	64%	0.636	49%	0.491	S	S	*	.			trans	-84.9	94.4	-168.4	-60.8	172.7	0	0	0	106.8	S600 I604	S600-I602 PolarHBondContact O-N 3.27Å; I602-I604 WeakPolarHBondContact O-CG1 3.47Å; I602-I604 PolarHBondContact O-N 2.82Å; I602-I604 VanDerWaalsContact O-N 3.1Å
603	S	39.2	Very low	45.7	Very low	112 Å²	112	84.1 Å²	84.1	78%	0.783	49%	0.49	S	S	*	.			trans	22.6	81.3	136.3	175.2	0	0	0	0	115.5	N601	N601-S603 PolarHBondContact O-N 3.48Å; N601-S603 VanDerWaalsContact O-N 3.07Å
604	I	34.3	Very low	45	Very low	110 Å²	110	84.6 Å²	84.6	56%	0.564	49%	0.491	S	S	*	.			trans	-135.5	95.8	163.2	-58.7	173.9	0	0	0	108.4	D460 I602	D460-I604 VanDerWaalsContact OD2-CD1 3.3Å; D460-I604 WeakPolarHBondContact OD2-CD1 3.35Å; I602-I604 WeakPolarHBondContact O-CG1 3.47Å; I602-I604 PolarHBondContact O-N 2.82Å; I602-I604 VanDerWaalsContact O-N 3.1Å
605	Q	29	Very low	44.3	Very low	169 Å²	169	85.4 Å²	85.4	79%	0.79	49%	0.494	S	S	*	.			trans	45.3	138.5	159.5	-65.4	-165.8	-15.9	0	0	120.2	G607	Q605-G607 PolarHBondContact O-N 3.34Å
606	P	33.2	Very low	43.4	Very low	142 Å²	142	85.6 Å²	85.6	92%	0.922	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	102.1	174.3	27.2	-32.1	0	0	0	109.2
607	G	42.9	Very low	43.1	Very low	59 Å²	59	86.8 Å²	86.8	61%	0.608	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	169.6	-29	-178.2	0	0	0	0	0	115.6	Q605	Q605-G607 PolarHBondContact O-N 3.34Å
608	C	35.9	Very low	42.7	Very low	71 Å²	71	88 Å²	88	48%	0.48	50%	0.501	S	S	.	.			trans	-117.3	97.4	-179.3	-97.2	0	0	0	0	112.4	S454	S454-C608 PolarHBondContact OG-SG 2.7Å; S454-C608 VanDerWaalsContact OG-SG 3.34Å
609	N	37.2	Very low	42.4	Very low	137 Å²	137	86 Å²	86	73%	0.733	49%	0.493	S	S	*	.			trans	-94.8	87.2	172.7	-71.5	-22.1	0	0	0	110.1
610	I	43.9	Very low	42.4	Very low	52 Å²	52	81.9 Å²	81.9	27%	0.267	48%	0.478	S	S	.	.			trans	-107.4	119.7	160	-65.5	169.4	0	0	0	106.8	C452 E614 F615	C452-I610 WeakPolarHBondContact SG-CG1 3.35Å; I610-E614 HydrophobicContact CG2-CB 4.28Å; I610-E614 HydrophobicContact CG2-CG 4.22Å; I610-F615 HydrophobicContact CG2-CB 4.09Å
611	S	40.6	Very low	42.6	Very low	63 Å²	63	83.8 Å²	83.8	44%	0.441	48%	0.481	S	S	.	.			trans	-75.7	152	174.1	78.3	0	0	0	0	110.3	A613 E614 F615	S611-A613 PolarHBondContact O-N 3.33Å; S611-A613 VanDerWaalsContact O-N 3.17Å; S611-E614 PolarHBondContact O-N 3.28Å; S611-E614 PolarHBondContact OG-N 3.33Å; S611-F615 PolarHBondContact O-N 3.45Å; S611-F615 VanDerWaalsContact O-N 3.08Å
612	P	40.1	Very low	42.7	Very low	74 Å²	74	80.3 Å²	80.3	48%	0.481	46%	0.462	S	S	.	.	H	α-helix	trans	-52.7	-37.2	175.3	-27.6	34.6	0	0	0	113.1	F615 I616	P612-F615 PolarHBondContact O-N 3.39Å; P612-I616 WeakPolarHBondContact O-CG1 3.08Å; P612-I616 PolarHBondContact O-N 2.99Å
613	A	44.3	Very low	42.8	Very low	61 Å²	61	77.3 Å²	77.3	50%	0.504	45%	0.445	S	S	.	.	H	α-helix	trans	-64.5	-39.5	177.1	0	0	0	0	0	113	S611 I616 I617	S611-A613 PolarHBondContact O-N 3.33Å; S611-A613 VanDerWaalsContact O-N 3.17Å; A613-I616 PolarHBondContact O-N 2.82Å; A613-I617 WeakPolarHBondContact O-CG1 3.35Å; A613-I617 PolarHBondContact O-N 3.02Å
614	E	51.8	Low	43.2	Very low	22 Å²	22	75.3 Å²	75.3	10%	0.103	43%	0.43	C	S	.	.	H	α-helix	trans	-70.8	-34.4	178	174.7	54.5	-156.8	0	0	111.7	N450 I610 S611 I617 R618	N450-E614 VanDerWaalsContact O-OE2 3.09Å; I610-E614 HydrophobicContact CG2-CB 4.28Å; I610-E614 HydrophobicContact CG2-CG 4.22Å; S611-E614 PolarHBondContact O-N 3.28Å; S611-E614 PolarHBondContact OG-N 3.33Å; E614-I617 PolarHBondContact O-N 2.93Å; E614-R618 WeakPolarHBondContact O-CG 3.19Å; E614-R618 PolarHBondContact O-N 2.94Å; E614-R618 VanDerWaalsContact O-N 3.16Å; E614-R618 IonicContact OE1-CZ 3.16Å; E614-R618 IonicContact OE1-NE 3.77Å; E614-R618 PolarHBondContact OE1-NE 3.36Å; E614-R618 IonicContact OE1-NH2 3.88Å
615	F	46.9	Very low	43.4	Very low	24 Å²	24	75.1 Å²	75.1	11%	0.105	43%	0.43	C	S	.	.	H	α-helix	trans	-64.8	-44.8	172.9	-178	-101.5	0	0	0	112.1	L461 I594 T597 E598 I610 S611 P612 I617 R618 V619	L461-F615 HydrophobicContact CD1-CE2 4.05Å; L461-F615 HydrophobicContact CD1-CZ 4.01Å; L461-F615 HydrophobicContact CD2-CE2 4.38Å; I594-F615 HydrophobicContact CB-CE1 4.12Å; I594-F615 HydrophobicContact CG2-CD1 4.38Å; I594-F615 HydrophobicContact CG2-CE1 3.64Å; I594-F615 HydrophobicContact CG2-CZ 4.46Å; I594-F615 VanDerWaalsContact O-CE1 3.26Å; I594-F615 WeakPolarHBondContact O-CE1 3.34Å; T597-F615 HydrophobicContact CG2-CE1 4.44Å; T597-F615 HydrophobicContact CG2-CE2 3.94Å; T597-F615 HydrophobicContact CG2-CZ 3.83Å; E598-F615 HydrophobicContact CG-CD1 3.54Å; E598-F615 HydrophobicContact CG-CE1 3.88Å; I610-F615 HydrophobicContact CG2-CB 4.09Å; S611-F615 PolarHBondContact O-N 3.45Å; S611-F615 VanDerWaalsContact O-N 3.08Å; P612-F615 PolarHBondContact O-N 3.39Å; F615-I617 VanDerWaalsContact C-N 3.27Å; F615-I617 PolarHBondContact O-N 3.14Å; F615-R618 PolarHBondContact O-N 2.96Å; F615-V619 HydrophobicContact CD1-CG2 4.08Å; F615-V619 HydrophobicContact CD2-CG2 4.41Å; F615-V619 HydrophobicContact CE1-CG2 3.72Å; F615-V619 HydrophobicContact CE2-CG2 4.06Å; F615-V619 HydrophobicContact CG-CG2 4.43Å; F615-V619 HydrophobicContact CZ-CG2 3.71Å; F615-V619 WeakPolarHBondContact O-CB 3.42Å; F615-V619 VanDerWaalsContact O-CG2 3.31Å; F615-V619 WeakPolarHBondContact O-CG2 3.29Å; F615-V619 PolarHBondContact O-N 3.44Å
616	I	46.5	Very low	43.7	Very low	73 Å²	73	70.4 Å²	70.4	37%	0.374	41%	0.41	S	S	.	.	H	α-helix	trans	-54.9	-43.7	174.6	-68.8	167.2	0	0	0	110.8	E598 P612 A613 V619 D620	E598-I616 WeakPolarHBondContact OE1-CG1 3.44Å; P612-I616 WeakPolarHBondContact O-CG1 3.08Å; P612-I616 PolarHBondContact O-N 2.99Å; A613-I616 PolarHBondContact O-N 2.82Å; I616-V619 PolarHBondContact O-N 3.31Å; I616-D620 WeakPolarHBondContact O-CB 3.14Å; I616-D620 PolarHBondContact O-N 3.47Å
617	I	53.9	Low	43.8	Very low	92 Å²	92	67.7 Å²	67.7	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-62.7	-46.4	179.1	-67.5	166.5	0	0	0	111.6	A613 E614 F615 V619 D620 K621	A613-I617 WeakPolarHBondContact O-CG1 3.35Å; A613-I617 PolarHBondContact O-N 3.02Å; E614-I617 PolarHBondContact O-N 2.93Å; F615-I617 VanDerWaalsContact C-N 3.27Å; F615-I617 PolarHBondContact O-N 3.14Å; I617-V619 VanDerWaalsContact C-N 3.26Å; I617-V619 PolarHBondContact O-N 3.45Å; I617-D620 PolarHBondContact O-N 3.47Å; I617-K621 WeakPolarHBondContact O-CB 3.23Å; I617-K621 PolarHBondContact O-N 2.59Å
618	R	49.7	Very low	43.3	Very low	54 Å²	54	69.6 Å²	69.6	20%	0.204	38%	0.375	C	S	.	.	H	α-helix	trans	-62.5	-38.9	178.7	-71.2	175.6	179.1	-146.7	-10.7	111.7	E614 F615 K621 L622	E614-R618 WeakPolarHBondContact O-CG 3.19Å; E614-R618 PolarHBondContact O-N 2.94Å; E614-R618 VanDerWaalsContact O-N 3.16Å; E614-R618 IonicContact OE1-CZ 3.16Å; E614-R618 IonicContact OE1-NE 3.77Å; E614-R618 PolarHBondContact OE1-NE 3.36Å; E614-R618 IonicContact OE1-NH2 3.88Å; F615-R618 PolarHBondContact O-N 2.96Å; R618-K621 WeakPolarHBondContact O-CB 3.22Å; R618-K621 PolarHBondContact O-N 3.38Å; R618-L622 PolarHBondContact O-N 3.45Å
619	V	45.8	Very low	43.3	Very low	11 Å²	11	71.1 Å²	71.1	7%	0.067	38%	0.382	C	S	.	.	H	α-helix	trans	-70.7	-44	177.2	161.7	0	0	0	0	111.6	I594 F615 I616 I617 K621 L622 K623	I594-V619 HydrophobicContact CB-CG1 4.17Å; I594-V619 HydrophobicContact CB-CG2 4.39Å; I594-V619 HydrophobicContact CD1-CB 4.28Å; I594-V619 HydrophobicContact CD1-CG1 3.12Å; I594-V619 HydrophobicContact CD1-CG2 4.26Å; I594-V619 HydrophobicContact CG1-CB 4.22Å; I594-V619 HydrophobicContact CG1-CG1 3.5Å; I594-V619 VanDerWaalsContact CG1-CG1 3.5Å; I594-V619 HydrophobicContact CG1-CG2 3.71Å; I594-V619 HydrophobicContact CG2-CB 4.22Å; I594-V619 HydrophobicContact CG2-CG1 3.65Å; I594-V619 HydrophobicContact CG2-CG2 4Å; F615-V619 HydrophobicContact CD1-CG2 4.08Å; F615-V619 HydrophobicContact CD2-CG2 4.41Å; F615-V619 HydrophobicContact CE1-CG2 3.72Å; F615-V619 HydrophobicContact CE2-CG2 4.06Å; F615-V619 HydrophobicContact CG-CG2 4.43Å; F615-V619 HydrophobicContact CZ-CG2 3.71Å; F615-V619 WeakPolarHBondContact O-CB 3.42Å; F615-V619 VanDerWaalsContact O-CG2 3.31Å; F615-V619 WeakPolarHBondContact O-CG2 3.29Å; F615-V619 PolarHBondContact O-N 3.44Å; I616-V619 PolarHBondContact O-N 3.31Å; I617-V619 VanDerWaalsContact C-N 3.26Å; I617-V619 PolarHBondContact O-N 3.45Å; V619-K621 PolarHBondContact O-N 2.91Å; V619-L622 CarbonylContact O-C 3.54Å; V619-L622 PolarHBondContact O-N 3.23Å; V619-L622 VanDerWaalsContact O-N 3.1Å; V619-K623 WeakPolarHBondContact O-CB 3.2Å; V619-K623 PolarHBondContact O-N 2.99Å
620	D	51.6	Low	43	Very low	78 Å²	78	68.5 Å²	68.5	42%	0.417	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-28	174.9	-89.8	-19.6	0	0	0	111.1	I616 I617 K623 S624	I616-D620 WeakPolarHBondContact O-CB 3.14Å; I616-D620 PolarHBondContact O-N 3.47Å; I617-D620 PolarHBondContact O-N 3.47Å; D620-K623 WeakPolarHBondContact O-CB 3.44Å; D620-S624 VanDerWaalsContact O-CB 3.31Å; D620-S624 WeakPolarHBondContact O-CB 3.36Å; D620-S624 PolarHBondContact O-N 3.09Å; D620-S624 PolarHBondContact O-OG 3.39Å
621	K	50.1	Low	42.2	Very low	85 Å²	85	73.2 Å²	73.2	37%	0.37	38%	0.378	S	S	.	.	H	α-helix	trans	-75.4	-41.9	171.6	-159.7	171.5	-175	174.7	0	112.6	P448 I617 R618 V619 K623 S624 L625	P448-K621 VanDerWaalsContact CB-NZ 3.34Å; P448-K621 VanDerWaalsContact CG-NZ 3.31Å; I617-K621 WeakPolarHBondContact O-CB 3.23Å; I617-K621 PolarHBondContact O-N 2.59Å; R618-K621 WeakPolarHBondContact O-CB 3.22Å; R618-K621 PolarHBondContact O-N 3.38Å; V619-K621 PolarHBondContact O-N 2.91Å; K621-K623 VanDerWaalsContact C-N 3.28Å; K621-K623 PolarHBondContact O-N 2.82Å; K621-S624 CarbonylContact O-C 3.55Å; K621-S624 WeakPolarHBondContact O-CA 3.5Å; K621-S624 WeakPolarHBondContact O-CB 3.45Å; K621-S624 PolarHBondContact O-N 3.01Å; K621-S624 VanDerWaalsContact O-N 3.16Å; K621-L625 VanDerWaalsContact O-CG 3.31Å; K621-L625 WeakPolarHBondContact O-CG 3.43Å; K621-L625 PolarHBondContact O-N 3.23Å
622	L	42.9	Very low	41.5	Very low	73 Å²	73	76.2 Å²	76.2	38%	0.382	40%	0.398	S	S	.	.	H	α-helix	trans	-62.5	-39.8	170.9	-158.8	93.7	0	0	0	110.8	Y465 R618 V619 L625 L626	Y465-L622 VanDerWaalsContact OH-CD2 3.3Å; Y465-L622 WeakPolarHBondContact OH-CD2 3.32Å; R618-L622 PolarHBondContact O-N 3.45Å; V619-L622 CarbonylContact O-C 3.54Å; V619-L622 PolarHBondContact O-N 3.23Å; V619-L622 VanDerWaalsContact O-N 3.1Å; L622-L625 PolarHBondContact O-N 3.34Å; L622-L626 HydrophobicContact CD2-CD1 4.15Å; L622-L626 HydrophobicContact CG-CD1 4.41Å; L622-L626 WeakPolarHBondContact O-CB 3.48Å; L622-L626 VanDerWaalsContact O-CG 3.25Å; L622-L626 WeakPolarHBondContact O-CG 3.32Å; L622-L626 PolarHBondContact O-N 3.48Å
623	K	38.9	Very low	40.7	Very low	62 Å²	62	84 Å²	84	27%	0.27	42%	0.418	S	S	.	.	H	α-helix	trans	-59.7	-47.8	171.4	-166.5	178.9	-173.5	-175.9	0	108.6	H591 V619 D620 K621 L625 L626 Y627	H591-K623 PolarHBondContact CE1-NZ 3Å; H591-K623 VanDerWaalsContact CE1-NZ 3.25Å; H591-K623 WeakPolarHBondContact NE2-CE 3.39Å; H591-K623 PolarHBondContact NE2-NZ 2.92Å; H591-K623 VanDerWaalsContact NE2-NZ 3.14Å; V619-K623 WeakPolarHBondContact O-CB 3.2Å; V619-K623 PolarHBondContact O-N 2.99Å; D620-K623 WeakPolarHBondContact O-CB 3.44Å; K621-K623 VanDerWaalsContact C-N 3.28Å; K621-K623 PolarHBondContact O-N 2.82Å; K623-L625 VanDerWaalsContact C-N 3.34Å; K623-L625 PolarHBondContact O-N 3.39Å; K623-L626 CarbonylContact O-C 3.56Å; K623-L626 PolarHBondContact O-N 3.46Å; K623-Y627 HydrophobicContact CB-CD2 4.5Å; K623-Y627 HydrophobicContact CD-CE2 4.09Å; K623-Y627 HydrophobicContact CG-CD2 3.5Å; K623-Y627 HydrophobicContact CG-CE2 3.46Å; K623-Y627 VanDerWaalsContact CG-CE2 3.46Å; K623-Y627 WeakPolarHBondContact O-CA 3.43Å; K623-Y627 WeakPolarHBondContact O-CB 3.39Å; K623-Y627 WeakPolarHBondContact O-CD2 3.33Å; K623-Y627 PolarHBondContact O-N 2.95Å
624	S	48.3	Very low	39.9	Very low	69 Å²	69	85.4 Å²	85.4	48%	0.483	42%	0.42	S	S	.	.	H	α-helix	trans	-59.4	-41.9	174.7	-61.3	0	0	0	0	112.3	D620 K621 Y627 E628	D620-S624 VanDerWaalsContact O-CB 3.31Å; D620-S624 WeakPolarHBondContact O-CB 3.36Å; D620-S624 PolarHBondContact O-N 3.09Å; D620-S624 PolarHBondContact O-OG 3.39Å; K621-S624 CarbonylContact O-C 3.55Å; K621-S624 WeakPolarHBondContact O-CA 3.5Å; K621-S624 WeakPolarHBondContact O-CB 3.45Å; K621-S624 PolarHBondContact O-N 3.01Å; K621-S624 VanDerWaalsContact O-N 3.16Å; S624-Y627 CarbonylContact O-C 3.56Å; S624-Y627 PolarHBondContact O-N 3.37Å; S624-E628 WeakPolarHBondContact O-CG 3.48Å; S624-E628 PolarHBondContact O-N 3.35Å
625	L	37.5	Very low	38.5	Very low	106 Å²	106	92.1 Å²	92.1	56%	0.555	45%	0.451	S	S	*	.	H	α-helix	trans	-67.1	-38	176.2	-69.8	168.4	0	0	0	112.4	K621 L622 K623	K621-L625 VanDerWaalsContact O-CG 3.31Å; K621-L625 WeakPolarHBondContact O-CG 3.43Å; K621-L625 PolarHBondContact O-N 3.23Å; L622-L625 PolarHBondContact O-N 3.34Å; K623-L625 VanDerWaalsContact C-N 3.34Å; K623-L625 PolarHBondContact O-N 3.39Å
626	L	34.8	Very low	37.5	Very low	70 Å²	70	94.4 Å²	94.4	37%	0.366	46%	0.459	S	S	.	.	H	α-helix	trans	-72.6	-34.1	173	-69.4	170.2	0	0	0	111.3	L622 K623 T629	L622-L626 HydrophobicContact CD2-CD1 4.15Å; L622-L626 HydrophobicContact CG-CD1 4.41Å; L622-L626 WeakPolarHBondContact O-CB 3.48Å; L622-L626 VanDerWaalsContact O-CG 3.25Å; L622-L626 WeakPolarHBondContact O-CG 3.32Å; L622-L626 PolarHBondContact O-N 3.48Å; K623-L626 CarbonylContact O-C 3.56Å; K623-L626 PolarHBondContact O-N 3.46Å; L626-T629 PolarHBondContact O-N 3.24Å; L626-T629 PolarHBondContact O-OG1 3.49Å
627	Y	35.4	Very low	36.4	Very low	85 Å²	85	98.1 Å²	98.1	33%	0.333	49%	0.486	S	S	.	.	H	α-helix	trans	-77	-22	177	-94.2	-98.8	0	0	0	112.9	E587 K623 S624 T629 K630	E587-Y627 PolarHBondContact OE1-OH 3Å; K623-Y627 HydrophobicContact CB-CD2 4.5Å; K623-Y627 HydrophobicContact CD-CE2 4.09Å; K623-Y627 HydrophobicContact CG-CD2 3.5Å; K623-Y627 HydrophobicContact CG-CE2 3.46Å; K623-Y627 VanDerWaalsContact CG-CE2 3.46Å; K623-Y627 WeakPolarHBondContact O-CA 3.43Å; K623-Y627 WeakPolarHBondContact O-CB 3.39Å; K623-Y627 WeakPolarHBondContact O-CD2 3.33Å; K623-Y627 PolarHBondContact O-N 2.95Å; S624-Y627 CarbonylContact O-C 3.56Å; S624-Y627 PolarHBondContact O-N 3.37Å; Y627-T629 PolarHBondContact O-N 3.27Å; Y627-T629 VanDerWaalsContact O-N 3.09Å; Y627-K630 CarbonylContact O-C 3.3Å; Y627-K630 PolarHBondContact O-N 3Å
628	E	34.2	Very low	35.1	Very low	100 Å²	100	98.5 Å²	98.5	47%	0.467	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.9	168.7	-84.3	-170.9	160	0	0	111.3	R241 S624	R241-E628 IonicContact CZ-OE1 3.3Å; R241-E628 IonicContact NH2-OE1 3.29Å; R241-E628 PolarHBondContact NH2-OE1 2.98Å; R241-E628 IonicContact NH2-OE2 2.75Å; R241-E628 PolarHBondContact NH2-OE2 3.35Å; S624-E628 WeakPolarHBondContact O-CG 3.48Å; S624-E628 PolarHBondContact O-N 3.35Å
629	T	35.1	Very low	33.8	Very low	102 Å²	102	104.7 Å²	104.7	63%	0.626	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	4.5	169.4	61.1	0	0	0	0	115.5	L626 Y627	L626-T629 PolarHBondContact O-N 3.24Å; L626-T629 PolarHBondContact O-OG1 3.49Å; Y627-T629 PolarHBondContact O-N 3.27Å; Y627-T629 VanDerWaalsContact O-N 3.09Å
630	K	31.3	Very low	33	Very low	83 Å²	83	108.1 Å²	108.1	36%	0.361	53%	0.534	S	S	.	.			trans	-120.9	90.8	175.8	-75.9	-170.6	-177.8	179.6	0	111.8	E587 Y627	E587-K630 IonicContact OE2-NZ 3.81Å; E587-K630 PolarHBondContact OE2-NZ 3.47Å; Y627-K630 CarbonylContact O-C 3.3Å; Y627-K630 PolarHBondContact O-N 3Å
631	R	26.4	Very low	31.7	Very low	150 Å²	150	109.9 Å²	109.9	57%	0.566	55%	0.549	S	S	*	.			trans	-107.5	67.8	150.7	-143.9	-179.9	-173.6	178.5	0.4	110.2	E246	E246-R631 IonicContact OE1-CZ 3.9Å; E246-R631 VanDerWaalsContact OE1-CZ 3.26Å; E246-R631 IonicContact OE1-NH1 2.88Å; E246-R631 PolarHBondContact OE1-NH1 2.75Å; E246-R631 IonicContact OE1-NH2 3.71Å; E246-R631 IonicContact OE2-CZ 2.86Å; E246-R631 IonicContact OE2-NH1 2.69Å; E246-R631 PolarHBondContact OE2-NH1 3.25Å; E246-R631 IonicContact OE2-NH2 3.78Å; E246-R631 PolarHBondContact OE2-NH2 3.33Å
632	C	25.8	Very low	30.5	Very low	127 Å²	127	113.7 Å²	113.7	86%	0.858	57%	0.574	S	S	*	*			trans	-132.8	86.8	159.1	-68.3	0	0	0	0	107.3
633	R	24.1	Very low	29.6	Very low	237 Å²	237	112.7 Å²	112.7	89%	0.894	58%	0.581	S	S	*	*			trans	-84.8	107.7	179.7	-165.3	-179.1	-167.2	163.3	3.5	108.4
634	T	26.5	Very low	28.9	Very low	90 Å²	90	117.8 Å²	117.8	55%	0.552	61%	0.611	S	S	*	*			trans	-153.7	99.2	144.8	49.4	0	0	0	0	107.8	R636	T634-R636 PolarHBondContact O-N 3.45Å
635	H	23.2	Very low	27.6	Very low	163 Å²	163	121.2 Å²	121.2	76%	0.755	62%	0.623	S	S	*	*			trans	-66.8	91.3	158.1	-77.5	-77.8	0	0	0	106.8
636	R	24.6	Very low	27	Very low	73 Å²	73	127.1 Å²	127.1	28%	0.275	64%	0.639	S	S	.	*			trans	-137	108.5	168.9	-78.4	-174.7	179.9	178.2	5.2	107.1	T634 Y638 M701	T634-R636 PolarHBondContact O-N 3.45Å; R636-Y638 HydrophobicContact CB-CD2 4.07Å; R636-Y638 HydrophobicContact CB-CE1 4.19Å; R636-Y638 HydrophobicContact CB-CE2 3.48Å; R636-Y638 VanDerWaalsContact CB-CE2 3.48Å; R636-Y638 VanDerWaalsContact CD-OH 3.27Å; R636-Y638 WeakPolarHBondContact CD-OH 3.38Å; R636-Y638 VanDerWaalsContact O-CD2 3.22Å; R636-Y638 WeakPolarHBondContact O-CD2 3.42Å; R636-Y638 WeakPolarHBondContact O-CE2 3.48Å; R636-Y638 PolarHBondContact O-N 3.37Å; R636-M701 PolarHBondContact NH1-SD 3.2Å
637	T	24.2	Very low	26.4	Very low	151 Å²	151	132.4 Å²	132.4	93%	0.926	66%	0.661	S	S	*	*			trans	-71.5	110	162.7	-5.5	0	0	0	0	106.2
638	Y	27.1	Very low	25.7	Very low	100 Å²	100	137 Å²	137	39%	0.392	69%	0.686	S	S	.	*			trans	-92.9	107.5	175.2	-64.2	-85.5	0	0	0	108.2	R636 M701	R636-Y638 HydrophobicContact CB-CD2 4.07Å; R636-Y638 HydrophobicContact CB-CE1 4.19Å; R636-Y638 HydrophobicContact CB-CE2 3.48Å; R636-Y638 VanDerWaalsContact CB-CE2 3.48Å; R636-Y638 VanDerWaalsContact CD-OH 3.27Å; R636-Y638 WeakPolarHBondContact CD-OH 3.38Å; R636-Y638 VanDerWaalsContact O-CD2 3.22Å; R636-Y638 WeakPolarHBondContact O-CD2 3.42Å; R636-Y638 WeakPolarHBondContact O-CE2 3.48Å; R636-Y638 PolarHBondContact O-N 3.37Å; Y638-M701 HydrophobicContact CE1-CE 3.99Å; Y638-M701 HydrophobicContact CE1-SD 4.15Å
639	E	21.3	Very low	25.1	Very low	183 Å²	183	140.2 Å²	140.2	86%	0.855	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-71.7	126	157.9	-71.7	-164	159.7	0	0	108.4
640	V	29.4	Very low	24.5	Very low	84 Å²	84	140.1 Å²	140.1	51%	0.509	70%	0.704	S	S	.	*	P	Polyproline II helix	trans	-91.3	122.7	174.5	179.7	0	0	0	0	106.3	N642	V640-N642 PolarHBondContact O-N 3.45Å
641	P	24.8	Very low	24.2	Very low	114 Å²	114	141.6 Å²	141.6	74%	0.74	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-52.9	116.5	168.7	-25	33.9	0	0	0	109.4	G643	P641-G643 PolarHBondContact O-N 3.17Å; P641-G643 VanDerWaalsContact O-N 3.11Å
642	N	24.4	Very low	24	Very low	166 Å²	166	144.4 Å²	144.4	89%	0.888	73%	0.731	S	S	*	*	S	Bend	trans	-62.3	113.7	171.7	-87.2	-19.4	0	0	0	107.9	V640	V640-N642 PolarHBondContact O-N 3.45Å
643	G	24.7	Very low	23.9	Very low	52 Å²	52	143.8 Å²	143.8	54%	0.536	73%	0.728	S	S	.	*			trans	76	106.7	171.8	0	0	0	0	0	113.6	P641 N645	P641-G643 PolarHBondContact O-N 3.17Å; P641-G643 VanDerWaalsContact O-N 3.11Å; G643-N645 PolarHBondContact O-N 3.18Å
644	L	23.1	Very low	24	Very low	169 Å²	169	137.9 Å²	137.9	89%	0.885	71%	0.714	S	S	*	*			trans	-62.2	94.6	134.8	-100.6	88.7	0	0	0	105	W646	L644-W646 PolarHBondContact O-N 3.38Å; L644-W646 VanDerWaalsContact O-N 3.1Å
645	N	21.9	Very low	24	Very low	140 Å²	140	141.6 Å²	141.6	75%	0.749	72%	0.723	S	S	*	*			trans	-55.5	116.1	160.1	-74.7	-22.8	0	0	0	105.3	G643 E647	G643-N645 PolarHBondContact O-N 3.18Å; N645-E647 PolarHBondContact O-N 3.41Å
646	W	23.8	Very low	24	Very low	231 Å²	231	140.8 Å²	140.8	88%	0.875	72%	0.724	S	S	*	*			trans	-58.8	105.4	153.7	-70.2	82.3	0	0	0	104	L644 E648	L644-W646 PolarHBondContact O-N 3.38Å; L644-W646 VanDerWaalsContact O-N 3.1Å; W646-E648 PolarHBondContact O-N 2.97Å
647	E	22.6	Very low	24.1	Very low	181 Å²	181	145.4 Å²	145.4	85%	0.846	75%	0.754	S	S	*	*			trans	-59.1	101.7	150.6	-74.3	-167.2	164.6	0	0	103.7	N645 E649	N645-E647 PolarHBondContact O-N 3.41Å; E647-E649 PolarHBondContact O-N 3.42Å
648	E	21.5	Very low	24	Very low	180 Å²	180	145.7 Å²	145.7	84%	0.841	75%	0.749	S	S	*	*			trans	-56	89.8	158.9	-81.1	179.1	155.9	0	0	104.8	W646 S650	W646-E648 PolarHBondContact O-N 2.97Å; E648-S650 PolarHBondContact O-N 3.46Å
649	E	21.7	Very low	24.1	Very low	168 Å²	168	146.7 Å²	146.7	79%	0.785	77%	0.768	S	S	*	*			trans	-64.4	85.4	162.5	-148.9	172.3	-154.6	0	0	104.2	E647 T651	E647-E649 PolarHBondContact O-N 3.42Å; E649-T651 PolarHBondContact O-N 3.08Å; E649-T651 PolarHBondContact O-OG1 3.09Å
650	S	22.3	Very low	24.2	Very low	100 Å²	100	146.1 Å²	146.1	70%	0.699	77%	0.77	S	S	*	*			trans	-61.3	72.8	169.6	166.8	0	0	0	0	106.9	E648 R652	E648-S650 PolarHBondContact O-N 3.46Å; S650-R652 PolarHBondContact O-N 2.94Å
651	T	24.8	Very low	23.8	Very low	114 Å²	114	149.2 Å²	149.2	70%	0.699	78%	0.779	S	S	*	*			trans	-71.1	89.6	163.2	38.5	0	0	0	0	105.4	E649 S653	E649-T651 PolarHBondContact O-N 3.08Å; E649-T651 PolarHBondContact O-OG1 3.09Å; T651-S653 PolarHBondContact O-N 3.15Å
652	R	23	Very low	23.5	Very low	210 Å²	210	151.1 Å²	151.1	79%	0.792	78%	0.778	S	S	*	*			trans	-41.6	110.4	164.6	-85.5	-178.8	172	175.6	-3.3	108	S650 D654	S650-R652 PolarHBondContact O-N 2.94Å; R652-D654 PolarHBondContact O-N 2.8Å
653	S	22.8	Very low	23.4	Very low	113 Å²	113	148.6 Å²	148.6	79%	0.79	77%	0.773	S	S	*	*			trans	-69.7	77.1	164.5	57.1	0	0	0	0	108.5	T651	T651-S653 PolarHBondContact O-N 3.15Å
654	D	27.2	Very low	23.9	Very low	114 Å²	114	151.6 Å²	151.6	61%	0.61	78%	0.783	S	S	*	*			trans	-99.2	92	165.1	-86.4	-40.6	0	0	0	109.7	R652	R652-D654 PolarHBondContact O-N 2.8Å
655	K	26	Very low	24	Very low	168 Å²	168	150.4 Å²	150.4	73%	0.73	78%	0.782	S	S	*	*			trans	52.3	112.6	132.5	-63	175.6	-176.8	172.8	0	117.9
656	N	23.8	Very low	23.7	Very low	146 Å²	146	151.5 Å²	151.5	78%	0.781	79%	0.785	S	S	*	*				38.4	99.8	125.9	-63.5	-8.9	0	0	0	116.4
657	N	25.6	Very low	23.6	Very low	169 Å²	169	145.6 Å²	145.6	90%	0.904	78%	0.779	S	S	*	*			trans	-136.7	101.6	140.1	-86.7	-37.6	0	0	0	109.2
658	L	21.7	Very low	23.5	Very low	158 Å²	158	143 Å²	143	83%	0.827	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-64.4	163.2	158.8	-111.3	94.9	0	0	0	109.9
659	P	29.7	Very low	23.3	Very low	120 Å²	120	139.4 Å²	139.4	78%	0.779	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-87.4	136.3	-151.8	34.1	-32.7	0	0	0	112.8
660	L	23.9	Very low	23.3	Very low	172 Å²	172	135.9 Å²	135.9	90%	0.901	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-102	127.5	165.9	-92	154	0	0	0	110.4
661	Q	20.2	Very low	23.5	Very low	149 Å²	149	139.2 Å²	139.2	70%	0.696	77%	0.768	S	S	*	*			trans	-37.8	145.1	168.4	-92.6	173.4	-59.9	0	0	117
662	E	19.8	Very low	23.2	Very low	154 Å²	154	141.9 Å²	141.9	72%	0.72	78%	0.777	S	S	*	*			trans	68.3	120.4	131	-67.2	171.7	-156.5	0	0	121.9
663	S	21.1	Very low	23.2	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	78%	0.778	S	S	*	*			trans	107	145.2	134	-78.3	0	0	0	0	119.6
664	P	36.3	Very low	23	Very low	115 Å²	115	138 Å²	138	75%	0.747	78%	0.777	S	S	*	*			trans	-106.9	139.4	-152.7	36.4	-24.4	0	0	0	112.4
665	V	23.6	Very low	22.9	Very low	143 Å²	143	137.5 Å²	137.5	87%	0.867	78%	0.782	S	S	*	*			trans	-135	110.8	164.7	-178.3	0	0	0	0	109.4
666	M	16.6	Very low	22.8	Very low	163 Å²	163	136.4 Å²	136.4	80%	0.803	79%	0.785	S	S	*	*			trans	-57.3	138.6	158.1	-84.5	-89.9	-72.1	0	0	111.2
667	S	22.4	Very low	22.9	Very low	108 Å²	108	137 Å²	137	76%	0.755	79%	0.786	S	S	*	*			trans	160.1	107.4	137	-71.5	0	0	0	0	109.5
668	V	19.3	Very low	22.7	Very low	126 Å²	126	138.9 Å²	138.9	76%	0.764	78%	0.782	S	S	*	*				78.5	105.1	91.3	176.2	0	0	0	0	114.3
669	S	18.8	Very low	22.8	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	78%	0.78	S	S	*	*			trans	61.1	143.5	133.2	-61.4	0	0	0	0	124.6
670	S	21.4	Very low	22.4	Very low	95 Å²	95	139.8 Å²	139.8	66%	0.664	78%	0.781	S	S	*	*			trans	69	135.1	171.7	73.2	0	0	0	0	111.7
671	H	25	Very low	22.4	Very low	169 Å²	169	136.7 Å²	136.7	78%	0.782	77%	0.771	S	S	*	*				-155.5	131.6	52.6	-6.9	-80.2	0	0	0	109.3
672	L	19.5	Very low	22.6	Very low	170 Å²	170	135.9 Å²	135.9	89%	0.89	78%	0.78	S	S	*	*			trans	-62.7	132.1	158.8	-89.5	78.2	0	0	0	108.8
673	S	23	Very low	22.8	Very low	115 Å²	115	136.2 Å²	136.2	80%	0.804	79%	0.786	S	S	*	*			trans	-130.8	107.1	152.8	43.2	0	0	0	0	108.7
674	T	19	Very low	22.8	Very low	128 Å²	128	137.6 Å²	137.6	79%	0.785	79%	0.79	S	S	*	*			trans	-69	124.7	165.7	39.3	0	0	0	0	109.9
675	S	25.2	Very low	22.3	Very low	102 Å²	102	139.2 Å²	139.2	71%	0.713	79%	0.791	S	S	*	*			trans	-143.4	94	157.3	59.8	0	0	0	0	109.9
676	D	22.4	Very low	22.3	Very low	145 Å²	145	137.9 Å²	137.9	78%	0.775	79%	0.785	S	S	*	*			trans	36.8	88.4	136.1	-54.9	-28.7	0	0	0	118.4
677	I	26.3	Very low	22.7	Very low	160 Å²	160	137.1 Å²	137.1	82%	0.821	79%	0.789	S	S	*	*			trans	-93.2	99.1	154.4	-61.2	176.3	0	0	0	107	T679	I677-T679 PolarHBondContact O-N 3.47Å
678	Y	22.8	Very low	22.7	Very low	208 Å²	208	135.1 Å²	135.1	82%	0.816	79%	0.786	S	S	*	*			trans	-57.9	101.2	168.7	-103.6	-95.1	0	0	0	110.2	Q680	Y678-Q680 PolarHBondContact O-N 3.21Å
679	T	21.8	Very low	23	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	78%	0.782	S	S	*	*			trans	-76.9	100.8	160	41.3	0	0	0	0	108.8	I677	I677-T679 PolarHBondContact O-N 3.47Å
680	Q	22	Very low	23.3	Very low	169 Å²	169	135.4 Å²	135.4	79%	0.79	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-71.1	133	163.9	-92.7	-92.8	-13.8	0	0	109.2	Y678	Y678-Q680 PolarHBondContact O-N 3.21Å
681	P	24.3	Very low	23.4	Very low	107 Å²	107	137 Å²	137	70%	0.695	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-81.6	126.5	-169.9	4	14.5	0	0	0	110.5	L683	P681-L683 PolarHBondContact O-N 3.38Å; P681-L683 VanDerWaalsContact O-N 3.15Å
682	C	23.8	Very low	23.4	Very low	131 Å²	131	133.8 Å²	133.8	89%	0.885	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-59.1	119	166.6	-98.6	0	0	0	0	109.6	T684	C682-T684 PolarHBondContact O-N 3.28Å
683	L	24.6	Very low	23.6	Very low	162 Å²	162	132.6 Å²	132.6	85%	0.848	78%	0.778	S	S	*	*			trans	-39.8	115.6	172.9	-71.2	155	0	0	0	112.5	P681 I685	P681-L683 PolarHBondContact O-N 3.38Å; P681-L683 VanDerWaalsContact O-N 3.15Å; L683-I685 PolarHBondContact O-N 2.66Å
684	T	21.2	Very low	23.9	Very low	141 Å²	141	131 Å²	131	87%	0.865	77%	0.767	S	S	*	*			trans	-64.4	108.7	168	-37.9	0	0	0	0	109.1	C682	C682-T684 PolarHBondContact O-N 3.28Å
685	I	26	Very low	24.4	Very low	150 Å²	150	133.8 Å²	133.8	77%	0.769	78%	0.776	S	S	*	*			trans	-91	137.7	168	-62.3	178	0	0	0	108.2	L683	L683-I685 PolarHBondContact O-N 2.66Å
686	P	23.7	Very low	24.5	Very low	114 Å²	114	131 Å²	131	74%	0.74	76%	0.756	S	S	*	*			trans	-71.2	142.5	-159.7	-16	31.2	0	0	0	114.1	G688	P686-G688 VanDerWaalsContact C-N 3.35Å; P686-G688 PolarHBondContact O-N 2.88Å
687	T	24.1	Very low	25.1	Very low	147 Å²	147	129.3 Å²	129.3	90%	0.902	75%	0.754	S	S	*	*			trans	-57.2	86.7	166.7	34.1	0	0	0	0	111.6
688	G	23.2	Very low	25.5	Very low	67 Å²	67	129.5 Å²	129.5	69%	0.691	75%	0.745	S	S	*	*			trans	-105.4	106.4	167	0	0	0	0	0	110.9	P686	P686-G688 VanDerWaalsContact C-N 3.35Å; P686-G688 PolarHBondContact O-N 2.88Å
689	S	24.9	Very low	25.7	Very low	97 Å²	97	125.8 Å²	125.8	68%	0.678	75%	0.746	S	S	*	*			trans	54.5	80.2	161.8	-160.6	0	0	0	0	117.5	I691	S689-I691 VanDerWaalsContact C-N 3.32Å; S689-I691 PolarHBondContact O-N 2.95Å
690	V	24.5	Very low	25.8	Very low	138 Å²	138	128.9 Å²	128.9	84%	0.836	75%	0.752	S	S	*	*			trans	-70.6	88.9	159.6	179.8	0	0	0	0	108	S692	V690-S692 PolarHBondContact O-N 3Å
691	I	24.9	Very low	26	Very low	130 Å²	130	125 Å²	125	67%	0.667	74%	0.735	S	S	*	*			trans	-87.4	96.7	161.2	-59.1	178.1	0	0	0	107	S689 N693	S689-I691 VanDerWaalsContact C-N 3.32Å; S689-I691 PolarHBondContact O-N 2.95Å; I691-N693 VanDerWaalsContact C-N 3.29Å; I691-N693 HydrophobicContact CG2-CB 4.43Å; I691-N693 PolarHBondContact O-N 3.48Å
692	S	24	Very low	25.9	Very low	101 Å²	101	129.5 Å²	129.5	71%	0.706	74%	0.744	S	S	*	*			trans	-62.8	81.8	170.8	56.7	0	0	0	0	110.7	V690	V690-S692 PolarHBondContact O-N 3Å
693	N	24.8	Very low	25.9	Very low	144 Å²	144	126.5 Å²	126.5	77%	0.77	72%	0.718	S	S	*	*			trans	-145.2	72.8	169.2	-88.9	-26.6	0	0	0	110.7	I691	I691-N693 VanDerWaalsContact C-N 3.29Å; I691-N693 HydrophobicContact CG2-CB 4.43Å; I691-N693 PolarHBondContact O-N 3.48Å
694	S	28	Very low	25.8	Very low	82 Å²	82	125.6 Å²	125.6	57%	0.573	71%	0.713	S	S	*	*			trans	-156.3	103.4	151.5	108.7	0	0	0	0	109.8	S696	S694-S696 PolarHBondContact O-N 3.07Å
695	L	29.2	Very low	25.9	Very low	187 Å²	187	127.8 Å²	127.8	98%	0.979	71%	0.706	S	S	*	*			trans	-67.6	79.6	160.1	-77.5	101.5	0	0	0	108.2
696	S	27.9	Very low	25.7	Very low	42 Å²	42	128.6 Å²	128.6	29%	0.294	71%	0.707	S	S	.	*			trans	-98.1	129.2	167.2	166.4	0	0	0	0	108.3	S694 Y698	S694-S696 PolarHBondContact O-N 3.07Å; S696-Y698 PolarHBondContact O-N 3.3Å
697	P	35.9	Very low	25.7	Very low	110 Å²	110	131 Å²	131	71%	0.714	71%	0.708	S	S	*	*	S	Bend	trans	-74.4	11.4	-179.3	18.8	-15.4	0	0	0	114.8
698	Y	33.1	Very low	25.7	Very low	164 Å²	164	128.9 Å²	128.9	64%	0.643	70%	0.699	S	S	*	*			trans	-130	95.5	179.2	-60.1	-75.2	0	0	0	110.7	S696 E700	S696-Y698 PolarHBondContact O-N 3.3Å; Y698-E700 VanDerWaalsContact C-N 3.32Å; Y698-E700 PolarHBondContact O-N 3.02Å
699	P	27.6	Very low	25.7	Very low	130 Å²	130	132.2 Å²	132.2	84%	0.844	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-14.6	-174.5	24.4	-31.1	0	0	0	115.1
700	E	25.2	Very low	25.7	Very low	194 Å²	194	134.8 Å²	134.8	91%	0.907	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	6.3	-179.3	-69.2	-175.7	168.7	0	0	114.5	Y698 K702	Y698-E700 VanDerWaalsContact C-N 3.32Å; Y698-E700 PolarHBondContact O-N 3.02Å; E700-K702 PolarHBondContact O-N 3.31Å
701	M	24.3	Very low	25.6	Very low	87 Å²	87	136.8 Å²	136.8	43%	0.429	71%	0.707	S	S	.	*			trans	-91.8	99.1	-178.6	-143.9	177	-123	0	0	110.4	R636 Y638 I703	R636-M701 PolarHBondContact NH1-SD 3.2Å; Y638-M701 HydrophobicContact CE1-CE 3.99Å; Y638-M701 HydrophobicContact CE1-SD 4.15Å; M701-I703 PolarHBondContact O-N 3.29Å
702	K	22.8	Very low	25.6	Very low	202 Å²	202	139.7 Å²	139.7	88%	0.878	72%	0.718	S	S	*	*			trans	-65	120.1	168.3	-83.1	-175.1	177.5	179.9	0	109.6	E700	E700-K702 PolarHBondContact O-N 3.31Å
703	I	23.9	Very low	25.6	Very low	68 Å²	68	143.8 Å²	143.8	35%	0.349	73%	0.726	S	S	.	*			trans	-90.1	115.9	174.6	-57.1	170	0	0	0	106.6	M701 Y705	M701-I703 PolarHBondContact O-N 3.29Å; I703-Y705 HydrophobicContact CG2-CD2 4.38Å; I703-Y705 HydrophobicContact CG2-CE1 4.23Å; I703-Y705 HydrophobicContact CG2-CE2 4.07Å
704	I	23	Very low	25.5	Very low	142 Å²	142	145.7 Å²	145.7	73%	0.728	73%	0.73	S	S	*	*			trans	-93.7	116.7	167.8	-58.2	176.3	0	0	0	106.7
705	Y	22.3	Very low	25.2	Very low	188 Å²	188	151.4 Å²	151.4	74%	0.737	75%	0.745	S	S	*	*			trans	-79	118.5	171.4	-64	-86.5	0	0	0	108	I703	I703-Y705 HydrophobicContact CG2-CD2 4.38Å; I703-Y705 HydrophobicContact CG2-CE1 4.23Å; I703-Y705 HydrophobicContact CG2-CE2 4.07Å
706	H	22.5	Very low	24.9	Very low	167 Å²	167	150.9 Å²	150.9	77%	0.773	74%	0.742	S	S	*	*			trans	-92.7	96.9	159.7	-93.9	-75.5	0	0	0	107.3	S708	H706-S708 PolarHBondContact O-N 3.03Å
707	E	22.9	Very low	24.5	Very low	165 Å²	165	154.7 Å²	154.7	77%	0.771	77%	0.767	S	S	*	*			trans	-70.2	103.1	152.7	-82.7	177.9	160.1	0	0	106.2	D709	E707-D709 PolarHBondContact O-N 3.4Å
708	S	24.6	Very low	23.7	Very low	101 Å²	101	160.4 Å²	160.4	71%	0.706	78%	0.775	S	S	*	*			trans	-73.2	76.5	168	43.9	0	0	0	0	108.5	H706 N710	H706-S708 PolarHBondContact O-N 3.03Å; S708-N710 VanDerWaalsContact C-N 3.31Å; S708-N710 PolarHBondContact O-N 3.44Å
709	D	23.6	Very low	23.2	Very low	137 Å²	137	160.8 Å²	160.8	73%	0.733	79%	0.786	S	S	*	*			trans	-70.3	95.2	161.2	-87	-17	0	0	0	107.9	E707 Q711	E707-D709 PolarHBondContact O-N 3.4Å; D709-Q711 PolarHBondContact O-N 3.4Å
710	N	24.7	Very low	23	Very low	152 Å²	152	159.5 Å²	159.5	81%	0.813	78%	0.78	S	S	*	*	S	Bend	trans	-64.6	71.9	163.2	-83	-24.3	0	0	0	109.2	S708	S708-N710 VanDerWaalsContact C-N 3.31Å; S708-N710 PolarHBondContact O-N 3.44Å
711	Q	23.5	Very low	22.8	Very low	180 Å²	180	156 Å²	156	84%	0.841	78%	0.777	S	S	*	*			trans	-169	51.2	167.1	-111	168.6	63.4	0	0	112.6	D709	D709-Q711 PolarHBondContact O-N 3.4Å
712	Q	23.4	Very low	22.8	Very low	190 Å²	190	155.3 Å²	155.3	89%	0.888	79%	0.792	S	S	*	*			trans	-153.3	38.2	162.3	-115.1	165.8	57.3	0	0	113.9	Q714	Q712-Q714 PolarHBondContact O-N 2.94Å
713	E	23.6	Very low	22.8	Very low	188 Å²	188	152.6 Å²	152.6	88%	0.879	79%	0.787	S	S	*	*			trans	-85.2	87.4	149.2	-83.3	-172.1	159.2	0	0	108
714	Q	22.9	Very low	22.7	Very low	183 Å²	183	157.7 Å²	157.7	86%	0.855	81%	0.809	S	S	*	*	S	Bend	trans	157.3	87.6	152.7	-88.7	167.5	48.4	0	0	109.8	Q712	Q712-Q714 PolarHBondContact O-N 2.94Å
715	K	21.8	Very low	22.8	Very low	202 Å²	202	157 Å²	157	88%	0.878	81%	0.806	S	S	*	*			trans	161.1	93.2	141.6	-91	166.8	-176	-179.7	0	109.2
716	L	24	Very low	22.7	Very low	177 Å²	177	157.9 Å²	157.9	93%	0.927	81%	0.814	S	S	*	*			trans	-172.2	73.5	138.9	-100.3	143.9	0	0	0	108.8
717	C	18.9	Very low	22.7	Very low	121 Å²	121	158.2 Å²	158.2	82%	0.818	81%	0.809	S	S	*	*			trans	-79.7	124.7	143.9	-70.8	0	0	0	0	107
718	R	18.7	Very low	22.7	Very low	231 Å²	231	157.2 Å²	157.2	87%	0.872	81%	0.807	S	S	*	*			trans	165.1	156.4	132.2	-91.2	169.6	-174.7	-179.7	2.6	112.4
719	I	23.7	Very low	22.6	Very low	171 Å²	171	159.9 Å²	159.9	88%	0.877	81%	0.814	S	S	*	*			trans	90.5	126.1	174.4	-50.6	165	0	0	0	112.2
720	S	23	Very low	22.8	Very low	103 Å²	103	158.5 Å²	158.5	72%	0.72	81%	0.81	S	S	*	*			cis	-166.1	152.7	-9	168.5	0	0	0	0	106.9
721	S	21.2	Very low	23.1	Very low	121 Å²	121	158.6 Å²	158.6	85%	0.846	80%	0.804	S	S	*	*			trans	-41.2	142.5	172.2	-49.1	0	0	0	0	116
722	G	23.6	Very low	23.5	Very low	73 Å²	73	158.9 Å²	158.9	75%	0.753	81%	0.805	S	S	*	*			trans	175.5	79.9	171.5	0	0	0	0	0	113.2
723	D	23	Very low	24.1	Very low	144 Å²	144	152.8 Å²	152.8	77%	0.77	78%	0.776	S	S	*	*			trans	37.3	121.3	150.1	-61.1	-19.3	0	0	0	123.6
724	H	22.5	Very low	24.5	Very low	176 Å²	176	145.1 Å²	145.1	82%	0.815	74%	0.743	S	S	*	*			trans	57.9	69.6	137.6	-64.4	-59.8	0	0	0	121.3
725	I	23.9	Very low	25	Very low	126 Å²	126	140.2 Å²	140.2	65%	0.646	73%	0.729	S	S	*	*			trans	-141.2	121.1	133.9	-58.5	-177.3	0	0	0	108	Y727	I725-Y727 HydrophobicContact CB-CD2 3.96Å; I725-Y727 HydrophobicContact CB-CE2 3.72Å; I725-Y727 HydrophobicContact CD1-CE2 4.36Å; I725-Y727 HydrophobicContact CG2-CD2 3.79Å; I725-Y727 HydrophobicContact CG2-CE2 3.49Å; I725-Y727 VanDerWaalsContact CG2-CE2 3.49Å; I725-Y727 PolarHBondContact O-N 3.34Å
726	K	20.6	Very low	25.5	Very low	208 Å²	208	133.2 Å²	133.2	90%	0.904	70%	0.703	S	S	*	*			trans	-65.9	80.2	175.7	-81.3	-178	176.6	175.9	0	110.5	I728	K726-I728 PolarHBondContact O-N 2.79Å
727	Y	21.6	Very low	25.9	Very low	174 Å²	174	129.5 Å²	129.5	68%	0.682	69%	0.692	S	S	*	*			trans	-78.1	102.5	163.4	-76	-79.2	0	0	0	108.5	I725 N729	I725-Y727 HydrophobicContact CB-CD2 3.96Å; I725-Y727 HydrophobicContact CB-CE2 3.72Å; I725-Y727 HydrophobicContact CD1-CE2 4.36Å; I725-Y727 HydrophobicContact CG2-CD2 3.79Å; I725-Y727 HydrophobicContact CG2-CE2 3.49Å; I725-Y727 VanDerWaalsContact CG2-CE2 3.49Å; I725-Y727 PolarHBondContact O-N 3.34Å; Y727-N729 PolarHBondContact O-N 3.46Å
728	I	23.6	Very low	26.4	Very low	143 Å²	143	132.1 Å²	132.1	73%	0.733	69%	0.69	S	S	*	*			trans	-63.1	108.6	161.3	-61.8	175.1	0	0	0	105.9	K726 T730	K726-I728 PolarHBondContact O-N 2.79Å; I728-T730 HydrophobicContact CG2-CG2 4.07Å; I728-T730 PolarHBondContact O-N 3.3Å
729	N	22.7	Very low	26.8	Very low	158 Å²	158	126.4 Å²	126.4	85%	0.845	68%	0.676	S	S	*	*			trans	-66.6	80.6	177.4	-142.6	8.4	0	0	0	108.2	Y727 K731	Y727-N729 PolarHBondContact O-N 3.46Å; N729-K731 PolarHBondContact O-N 2.99Å; N729-K731 VanDerWaalsContact O-N 3.17Å
730	T	27.5	Very low	27	Very low	107 Å²	107	122.8 Å²	122.8	66%	0.656	67%	0.666	S	S	*	*			trans	-76.5	104.3	176.7	34.1	0	0	0	0	107.9	I728 E732	I728-T730 HydrophobicContact CG2-CG2 4.07Å; I728-T730 PolarHBondContact O-N 3.3Å; T730-E732 PolarHBondContact O-N 3.29Å
731	K	30.8	Very low	27.4	Very low	155 Å²	155	121.1 Å²	121.1	67%	0.674	65%	0.651	S	S	*	*			trans	-38.3	130.8	173.2	-68.7	178.2	175.9	-179.9	0	111	N729 Q733	N729-K731 PolarHBondContact O-N 2.99Å; N729-K731 VanDerWaalsContact O-N 3.17Å; K731-Q733 PolarHBondContact O-N 3.45Å
732	E	32.6	Very low	27.9	Very low	186 Å²	186	123 Å²	123	87%	0.869	65%	0.652	S	S	*	*			trans	-33.7	123.5	-175.5	-65.1	175.8	147.3	0	0	114.4	T730	T730-E732 PolarHBondContact O-N 3.29Å
733	Q	35.4	Very low	28.5	Very low	61 Å²	61	125.1 Å²	125.1	29%	0.285	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-73	128.1	173.3	-175.8	179.1	-0	0	0	110.1	K731 S759 W787	K731-Q733 PolarHBondContact O-N 3.45Å; Q733-S759 VanDerWaalsContact CD-OG 3.23Å; Q733-S759 PolarHBondContact NE2-OG 3.08Å; Q733-S759 PolarHBondContact OE1-OG 3.02Å; Q733-W787 HydrophobicContact CB-CH2 4.26Å; Q733-W787 HydrophobicContact CB-CZ2 4.27Å; Q733-W787 HydrophobicContact CG-CH2 3.85Å; Q733-W787 HydrophobicContact CG-CZ2 4.28Å; Q733-W787 HydrophobicContact CG-CZ3 4.22Å
734	P	33.4	Very low	29.1	Very low	27 Å²	27	125.6 Å²	125.6	18%	0.175	65%	0.648	C	S	.	*	P	Polyproline II helix	trans	-70.8	136.4	175.1	-2.6	13.5	0	0	0	111.7	F800	P734-F800 HydrophobicContact CB-CD2 4.21Å; P734-F800 HydrophobicContact CB-CE2 4.24Å; P734-F800 HydrophobicContact CG-CD2 4.26Å; P734-F800 HydrophobicContact CG-CE2 4.46Å; P734-F800 HydrophobicContact CG-CG 4.5Å
735	S	32.4	Very low	29.8	Very low	81 Å²	81	124.2 Å²	124.2	57%	0.566	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-68.7	129	177.7	-5.3	0	0	0	0	111.3
736	T	33.3	Very low	30.9	Very low	55 Å²	55	125.2 Å²	125.2	34%	0.337	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-90.3	128.3	177.4	53.7	0	0	0	0	110.4	K799 F800	T736-K799 HydrophobicContact CG2-CB 4.34Å; T736-K799 HydrophobicContact CG2-CG 4.49Å; T736-F800 HydrophobicContact CG2-CD2 3.99Å
737	S	31	Very low	32.8	Very low	98 Å²	98	120.9 Å²	120.9	69%	0.685	63%	0.633	S	S	*	*			trans	-131.3	138	161.9	33.2	0	0	0	0	107.7	L739	S737-L739 PolarHBondContact O-N 3.15Å
738	K	30.1	Very low	35.3	Very low	177 Å²	177	120.9 Å²	120.9	77%	0.77	64%	0.636	S	S	*	*			trans	-57	116.9	-160.6	-64.9	173.8	175	-176.2	0	112.1
739	L	27.9	Very low	38.1	Very low	110 Å²	110	116.1 Å²	116.1	58%	0.576	62%	0.615	S	S	*	*			trans	-89.6	131.6	162.4	-115.3	98.3	0	0	0	108.2	S737 V741 I798	S737-L739 PolarHBondContact O-N 3.15Å; L739-V741 HydrophobicContact CB-CG2 4.42Å; L739-V741 HydrophobicContact CD2-CG2 4.22Å; L739-I798 HydrophobicContact CB-CD1 4.21Å; L739-I798 WeakPolarHBondContact O-CD1 3.25Å
740	S	26.6	Very low	41	Very low	96 Å²	96	111.3 Å²	111.3	67%	0.671	59%	0.591	S	S	*	*			trans	-86.4	114.6	160.5	49.8	0	0	0	0	107.7
741	V	32.5	Very low	43.9	Very low	68 Å²	68	108.3 Å²	108.3	41%	0.412	57%	0.569	S	S	.	*			trans	-102.4	131.5	176.2	176.4	0	0	0	0	107.9	L739 I798	L739-V741 HydrophobicContact CB-CG2 4.42Å; L739-V741 HydrophobicContact CD2-CG2 4.22Å; V741-I798 HydrophobicContact CB-CD1 4.31Å; V741-I798 HydrophobicContact CG2-CD1 3.6Å
742	N	31.2	Very low	46.7	Very low	160 Å²	160	106 Å²	106	86%	0.856	56%	0.557	S	S	*	*			trans	-50.1	135.5	178.1	-70.4	-33	0	0	0	112.1	D744	N742-D744 PolarHBondContact O-N 2.84Å
743	D	35.4	Very low	49.3	Very low	118 Å²	118	97.1 Å²	97.1	63%	0.631	52%	0.515	S	S	*	.	S	Bend	trans	-82.1	1.4	-160.6	-89.8	-36.4	0	0	0	117.3	K791	D743-K791 IonicContact OD1-NZ 3.4Å
744	D	36.8	Very low	51.4	Low	154 Å²	154	95.6 Å²	95.6	82%	0.824	51%	0.51	S	S	*	.	S	Bend	trans	-106.6	22.7	-159.6	-70	-34.8	0	0	0	118.7	N742	N742-D744 PolarHBondContact O-N 2.84Å
745	L	37.7	Very low	53.5	Low	146 Å²	146	99 Å²	99	76%	0.764	52%	0.523	S	S	*	.	S	Bend	trans	-148.7	-1.3	172.6	-143.9	67.1	0	0	0	120.2
746	F	45.1	Very low	55.4	Low	147 Å²	147	100.1 Å²	100.1	65%	0.645	52%	0.523	S	S	*	.			trans	-143.3	66.8	-178.7	-61.9	-78.9	0	0	0	112.8	T774	F746-T774 HydrophobicContact CB-CG2 4.08Å
747	D	60.5	Low	57.2	Low	117 Å²	117	99.1 Å²	99.1	63%	0.626	51%	0.514	S	S	*	.			trans	-97.6	1.1	-179.8	-129.7	23	0	0	0	114.4	H793	D747-H793 IonicContact OD1-CE1 3.84Å
748	K	74.3	Confident	58.7	Low	174 Å²	174	98.1 Å²	98.1	76%	0.757	51%	0.507	S	S	*	.	S	Bend	trans	-94.1	128.6	168	-71.1	-175.3	-179.6	179	0	110.1	T774	K748-T774 PolarHBondContact O-OG1 2.69Å
749	P	83.2	Confident	60	Low	44 Å²	44	90.4 Å²	90.4	29%	0.286	48%	0.476	S	S	.	.			trans	-61	140.1	173.4	26.7	-32.7	0	0	0	109.7	L772 I809	P749-L772 HydrophobicContact CB-CB 3.72Å; P749-L772 HydrophobicContact CB-CD1 4.36Å; P749-L772 HydrophobicContact CB-CG 4.48Å; P749-L772 HydrophobicContact CG-CB 4.19Å; P749-L772 HydrophobicContact CG-CD1 3.91Å; P749-I809 HydrophobicContact CB-CD1 3.76Å; P749-I809 HydrophobicContact CG-CD1 4.12Å; P749-I809 WeakPolarHBondContact O-CD1 3.24Å
750	T	83	Confident	61	Low	57 Å²	57	93.5 Å²	93.5	35%	0.35	48%	0.484	S	S	.	.			trans	-109	-24.5	-178.6	52.8	0	0	0	0	112.9	V773 T774 I809	T750-V773 PolarHBondContact N-O 2.89Å; T750-T774 HydrophobicContact CG2-CG2 4.36Å; T750-I809 PolarHBondContact O-N 2.67Å
751	H	89.1	Confident	61.8	Low	43 Å²	43	93.4 Å²	93.4	20%	0.199	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	157.7	-175.1	-62.1	71.5	0	0	0	111.2	V773 I775 L806 E807	H751-V773 HydrophobicContact CB-CG2 3.95Å; H751-V773 PolarHBondContact N-O 3.02Å; H751-V773 PolarHBondContact O-N 2.91Å; H751-V773 VanDerWaalsContact O-O 3.12Å; H751-I775 WeakPolarHBondContact CE1-CD1 3.47Å; H751-I775 WeakPolarHBondContact NE2-CD1 3.46Å; H751-L806 HydrophobicContact CB-CB 4.4Å; H751-E807 CarbonylContact C-O 3.15Å; H751-E807 WeakPolarHBondContact CA-O 3.33Å; H751-E807 WeakPolarHBondContact CB-O 3.39Å
752	R	88.7	Confident	62.1	Low	107 Å²	107	100.8 Å²	100.8	40%	0.404	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.2	173.4	-176.5	-176	-64.4	-92	10.3	110.1	G770 Q771 L772 E807 I809	R752-G770 PolarHBondContact NH1-O 3.22Å; R752-Q771 WeakPolarHBondContact CA-O 3.49Å; R752-L772 HydrophobicContact CB-CD2 4.23Å; R752-L772 HydrophobicContact CG-CD2 4.34Å; R752-E807 PolarHBondContact N-O 2.94Å; R752-E807 PolarHBondContact O-N 3.49Å; R752-I809 HydrophobicContact CB-CG1 4.32Å
753	I	87.1	Confident	62.5	Low	0 Å²	0	98.3 Å²	98.3	0%	0	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.3	174	-62.8	-178	0	0	0	110.4	H755 G770 Q771 V773 F792 V801 Y805 L806	I753-H755 WeakPolarHBondContact CG2-O 3.39Å; I753-G770 PolarHBondContact O-N 2.97Å; I753-Q771 HydrophobicContact CD1-CB 4.24Å; I753-Q771 PolarHBondContact N-O 3.25Å; I753-V773 HydrophobicContact CD1-CG1 3.96Å; I753-V773 HydrophobicContact CG1-CG1 4.06Å; I753-F792 HydrophobicContact CD1-CD1 4.33Å; I753-F792 HydrophobicContact CD1-CE1 3.32Å; I753-F792 HydrophobicContact CD1-CZ 3.56Å; I753-V801 HydrophobicContact CD1-CG2 4.28Å; I753-Y805 CarbonylContact C-O 3.58Å; I753-Y805 WeakPolarHBondContact CA-O 3.18Å; I753-L806 HydrophobicContact CG1-CD2 4.29Å
754	T	79.4	Confident	62.6	Low	28 Å²	28	95 Å²	95	17%	0.172	48%	0.482	C	S	.	.			trans	-90.8	-20.8	-176.3	55.3	0	0	0	0	114.7	K769 Y805 E807	T754-K769 WeakPolarHBondContact O-CD 3.44Å; T754-K769 WeakPolarHBondContact O-CE 3.31Å; T754-K769 VanDerWaalsContact O-CG 3.28Å; T754-K769 WeakPolarHBondContact O-CG 3.44Å; T754-Y805 PolarHBondContact N-O 3.09Å; T754-Y805 WeakPolarHBondContact OG1-CA 3.13Å; T754-Y805 PolarHBondContact OG1-O 3Å; T754-E807 HydrophobicContact CG2-CB 3.46Å; T754-E807 VanDerWaalsContact CG2-CB 3.46Å; T754-E807 HydrophobicContact CG2-CG 4.44Å; T754-E807 WeakPolarHBondContact CG2-OE2 3.33Å
755	H	77.8	Confident	63	Low	99 Å²	99	92.4 Å²	92.4	46%	0.458	47%	0.472	S	S	.	.	S	Bend	trans	-136.1	143.4	-176.1	-63.7	-74.8	0	0	0	112	I753 Y805	I753-H755 WeakPolarHBondContact CG2-O 3.39Å; H755-Y805 HydrophobicContact CB-CD1 4.08Å; H755-Y805 HydrophobicContact CB-CD2 4.4Å; H755-Y805 HydrophobicContact CB-CE1 4.15Å; H755-Y805 HydrophobicContact CB-CE2 4.47Å; H755-Y805 HydrophobicContact CB-CG 4.22Å; H755-Y805 AromaticContact CD2-CD2 3.84Å
756	D	72.6	Confident	63.5	Low	105 Å²	105	91.2 Å²	91.2	56%	0.561	46%	0.464	S	S	*	.			trans	-68.2	136.9	170.1	-61	-55.7	0	0	0	110.6	S767 A768 K769	D756-S767 WeakPolarHBondContact CA-O 3.37Å; D756-A768 VanDerWaalsContact OD1-CA 3.24Å; D756-A768 WeakPolarHBondContact OD1-CA 3.44Å; D756-K769 WeakPolarHBondContact OD1-CB 3.43Å; D756-K769 PolarHBondContact OD1-N 3.41Å
757	F	72.1	Confident	64.3	Low	33 Å²	33	84.4 Å²	84.4	15%	0.145	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-151	153.3	172.6	81.6	-81.2	0	0	0	113.7	S767 V801 Y805	F757-S767 PolarHBondContact N-O 3.08Å; F757-S767 PolarHBondContact O-N 3.47Å; F757-V801 HydrophobicContact CE1-CB 4.34Å; F757-V801 HydrophobicContact CE1-CG1 3.8Å; F757-V801 HydrophobicContact CE1-CG2 4.04Å; F757-V801 HydrophobicContact CZ-CB 4.2Å; F757-V801 HydrophobicContact CZ-CG1 4.14Å; F757-V801 HydrophobicContact CZ-CG2 3.86Å; F757-Y805 HydrophobicContact CB-CD1 4.33Å; F757-Y805 HydrophobicContact CB-CE1 3.9Å; F757-Y805 AromaticContact CD1-CD1 3.96Å; F757-Y805 HydrophobicContact CD1-CD1 3.96Å; F757-Y805 HydrophobicContact CD1-CE1 4.38Å; F757-Y805 HydrophobicContact CG-CD1 4.28Å; F757-Y805 HydrophobicContact CG-CE1 4.25Å
758	S	62.2	Low	64.5	Low	78 Å²	78	80.9 Å²	80.9	55%	0.545	42%	0.423	S	S	.	.			trans	-134.4	141.8	-179.9	179.7	0	0	0	0	110.9
759	S	55.8	Low	64.6	Low	15 Å²	15	79.2 Å²	79.2	11%	0.105	42%	0.415	C	S	.	.			trans	-75.1	147.1	174.9	-175.3	0	0	0	0	111.8	Q733 N761	Q733-S759 VanDerWaalsContact CD-OG 3.23Å; Q733-S759 PolarHBondContact NE2-OG 3.08Å; Q733-S759 PolarHBondContact OE1-OG 3.02Å; S759-N761 PolarHBondContact O-N 3.05Å; S759-N761 PolarHBondContact OG-N 3.08Å
760	K	50.5	Low	64.4	Low	175 Å²	175	78.4 Å²	78.4	76%	0.761	41%	0.414	S	S	*	.	S	Bend	trans	-70.3	-16.1	170.8	-80.9	-174	176.9	179	0	113.8	K762	K760-K762 PolarHBondContact O-N 3.46Å
761	N	42.7	Very low	64.4	Low	94 Å²	94	79 Å²	79	50%	0.503	41%	0.413	S	S	.	.	S	Bend	trans	-74.3	112.3	172.3	-78.8	-23	0	0	0	108.2	S759 S763 V764	S759-N761 PolarHBondContact O-N 3.05Å; S759-N761 PolarHBondContact OG-N 3.08Å; N761-S763 PolarHBondContact O-N 3.33Å; N761-V764 PolarHBondContact O-N 3.42Å
762	K	39.8	Very low	64.3	Low	222 Å²	222	79.5 Å²	79.5	97%	0.965	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	22	-173.1	-73.5	-177.6	173.4	179.2	0	116.4	K760	K760-K762 PolarHBondContact O-N 3.46Å
763	S	38.2	Very low	64.3	Low	108 Å²	108	74.4 Å²	74.4	76%	0.755	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.2	13.9	178.9	56.1	0	0	0	0	114.7	N761	N761-S763 PolarHBondContact O-N 3.33Å
764	V	37	Very low	64.4	Low	48 Å²	48	74.8 Å²	74.8	29%	0.291	40%	0.4	S	S	.	.	S	Bend	trans	-123.5	118.9	-177.7	-172.6	0	0	0	0	112.7	N761	N761-V764 PolarHBondContact O-N 3.42Å
765	V	45.4	Very low	64.6	Low	101 Å²	101	75.5 Å²	75.5	61%	0.612	40%	0.403	S	S	*	.			trans	-45	137.4	-178.2	179	0	0	0	0	114.7
766	I	48.2	Very low	64.8	Low	120 Å²	120	73.5 Å²	73.5	62%	0.615	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-59.6	125.7	172.7	-58.5	164.7	0	0	0	109.5
767	S	63.3	Low	65.1	Low	5 Å²	5	74.9 Å²	74.9	4%	0.035	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-92.8	127	171.5	-57.5	0	0	0	0	108.9	D756 F757	D756-S767 WeakPolarHBondContact CA-O 3.37Å; F757-S767 PolarHBondContact N-O 3.08Å; F757-S767 PolarHBondContact O-N 3.47Å
768	A	64	Low	65.2	Low	43 Å²	43	76.8 Å²	76.8	36%	0.355	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-93.4	140.3	-172.8	0	0	0	0	0	112.2	D756 G770 Q771	D756-A768 VanDerWaalsContact OD1-CA 3.24Å; D756-A768 WeakPolarHBondContact OD1-CA 3.44Å; A768-G770 PolarHBondContact O-N 3.11Å; A768-Q771 WeakPolarHBondContact O-CB 3.41Å; A768-Q771 WeakPolarHBondContact O-CG 3.37Å; A768-Q771 PolarHBondContact O-N 2.87Å
769	K	75.5	Confident	65.6	Low	139 Å²	139	78.5 Å²	78.5	60%	0.604	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	129.8	171.5	176.5	173.5	-177.8	178.4	0	109.5	T754 D756	T754-K769 WeakPolarHBondContact O-CD 3.44Å; T754-K769 WeakPolarHBondContact O-CE 3.31Å; T754-K769 VanDerWaalsContact O-CG 3.28Å; T754-K769 WeakPolarHBondContact O-CG 3.44Å; D756-K769 WeakPolarHBondContact OD1-CB 3.43Å; D756-K769 PolarHBondContact OD1-N 3.41Å
770	G	79.2	Confident	66.2	Low	26 Å²	26	78 Å²	78	27%	0.268	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	-8.4	-179	0	0	0	0	0	115.1	R752 I753 A768	R752-G770 PolarHBondContact NH1-O 3.22Å; I753-G770 PolarHBondContact O-N 2.97Å; A768-G770 PolarHBondContact O-N 3.11Å
771	Q	84	Confident	66.5	Low	70 Å²	70	78.8 Å²	78.8	33%	0.327	40%	0.4	S	S	.	.			trans	-63.4	138.7	176.6	-80.5	-177.9	-36.2	0	0	112.3	R752 I753 A768 F792	R752-Q771 WeakPolarHBondContact CA-O 3.49Å; I753-Q771 HydrophobicContact CD1-CB 4.24Å; I753-Q771 PolarHBondContact N-O 3.25Å; A768-Q771 WeakPolarHBondContact O-CB 3.41Å; A768-Q771 WeakPolarHBondContact O-CG 3.37Å; A768-Q771 PolarHBondContact O-N 2.87Å; Q771-F792 HydrophobicContact CB-CD1 4.39Å; Q771-F792 HydrophobicContact CB-CE1 4.49Å
772	L	87.7	Confident	67.2	Low	53 Å²	53	81.7 Å²	81.7	28%	0.277	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.1	179.9	-62.1	-178.3	0	0	0	110.3	P749 R752 H793 I809	P749-L772 HydrophobicContact CB-CB 3.72Å; P749-L772 HydrophobicContact CB-CD1 4.36Å; P749-L772 HydrophobicContact CB-CG 4.48Å; P749-L772 HydrophobicContact CG-CB 4.19Å; P749-L772 HydrophobicContact CG-CD1 3.91Å; R752-L772 HydrophobicContact CB-CD2 4.23Å; R752-L772 HydrophobicContact CG-CD2 4.34Å; L772-H793 HydrophobicContact CB-CB 4.31Å; L772-H793 PolarHBondContact O-N 3.38Å; L772-I809 HydrophobicContact CD2-CD1 3.69Å; L772-I809 HydrophobicContact CD2-CG1 4.23Å
773	V	88.4	Confident	68.1	Low	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160.1	-176.4	-53.9	0	0	0	0	111.8	T750 H751 I753 V790 K791 F792 L806	T750-V773 PolarHBondContact N-O 2.89Å; H751-V773 HydrophobicContact CB-CG2 3.95Å; H751-V773 PolarHBondContact N-O 3.02Å; H751-V773 PolarHBondContact O-N 2.91Å; H751-V773 VanDerWaalsContact O-O 3.12Å; I753-V773 HydrophobicContact CD1-CG1 3.96Å; I753-V773 HydrophobicContact CG1-CG1 4.06Å; V773-V790 HydrophobicContact CB-CB 4Å; V773-V790 HydrophobicContact CB-CG2 3.95Å; V773-V790 HydrophobicContact CG1-CG2 4.02Å; V773-V790 HydrophobicContact CG2-CB 4.09Å; V773-V790 HydrophobicContact CG2-CG1 4.29Å; V773-V790 HydrophobicContact CG2-CG2 4.19Å; V773-K791 CarbonylContact C-O 3.6Å; V773-K791 WeakPolarHBondContact CA-O 3.37Å; V773-K791 WeakPolarHBondContact CB-O 3.1Å; V773-F792 HydrophobicContact CG1-CD1 3.78Å; V773-F792 HydrophobicContact CG1-CD2 4.18Å; V773-F792 HydrophobicContact CG1-CE1 3.98Å; V773-F792 HydrophobicContact CG1-CE2 4.31Å; V773-F792 HydrophobicContact CG1-CG 3.91Å; V773-F792 HydrophobicContact CG1-CZ 4.24Å; V773-L806 HydrophobicContact CG2-CD2 3.71Å
774	T	87.6	Confident	69.6	Low	8 Å²	8	70.8 Å²	70.8	5%	0.049	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.9	170	-53.7	0	0	0	0	109.1	F746 K748 T750 I776 V790 K791 H793	F746-T774 HydrophobicContact CB-CG2 4.08Å; K748-T774 PolarHBondContact O-OG1 2.69Å; T750-T774 HydrophobicContact CG2-CG2 4.36Å; T774-I776 PolarHBondContact O-N 3.16Å; T774-V790 CarbonylContact O-C 3.57Å; T774-V790 VanDerWaalsContact O-CA 3.22Å; T774-V790 WeakPolarHBondContact O-CA 3.3Å; T774-K791 PolarHBondContact N-O 3.35Å; T774-K791 PolarHBondContact O-N 3.06Å; T774-H793 PolarHBondContact OG1-CD2 2.9Å; T774-H793 PolarHBondContact OG1-NE2 3.33Å
775	I	84.5	Confident	71.5	Confident	43 Å²	43	73.1 Å²	73.1	22%	0.221	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	120.8	175.4	-59.8	-179.1	0	0	0	109.2	H751 V790 L806	H751-I775 WeakPolarHBondContact CE1-CD1 3.47Å; H751-I775 WeakPolarHBondContact NE2-CD1 3.46Å; I775-V790 HydrophobicContact CG1-CG1 4.09Å; I775-L806 HydrophobicContact CD1-CD1 3.83Å; I775-L806 HydrophobicContact CG1-CD1 3.98Å
776	I	82	Confident	73	Confident	58 Å²	58	72.7 Å²	72.7	30%	0.297	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-40.4	173.3	-49.9	-179.7	0	0	0	109.6	T774 L789 K791 I798	T774-I776 PolarHBondContact O-N 3.16Å; I776-L789 HydrophobicContact CB-CD2 4.42Å; I776-L789 HydrophobicContact CB-CG 4.43Å; I776-L789 WeakPolarHBondContact CB-O 3.43Å; I776-L789 HydrophobicContact CD1-CG 4.48Å; I776-L789 HydrophobicContact CG2-CD2 4.46Å; I776-L789 PolarHBondContact N-O 3.35Å; I776-K791 HydrophobicContact CD1-CB 3.96Å; I776-K791 HydrophobicContact CG1-CB 4.18Å; I776-I798 HydrophobicContact CD1-CB 4.3Å; I776-I798 HydrophobicContact CD1-CD1 3.61Å; I776-I798 HydrophobicContact CD1-CG1 3.8Å; I776-I798 HydrophobicContact CD1-CG2 3.59Å
777	R	78.5	Confident	74.6	Confident	134 Å²	134	68.6 Å²	68.6	51%	0.506	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	136	175.7	-62.8	-174.9	-179.4	-179	-1.5	110.8	Y779 S788 L789	R777-Y779 PolarHBondContact O-N 2.99Å; R777-S788 CarbonylContact O-C 3.43Å; R777-S788 VanDerWaalsContact O-CA 3.3Å; R777-S788 WeakPolarHBondContact O-CA 3.35Å; R777-L789 HydrophobicContact CB-CB 4.14Å; R777-L789 PolarHBondContact N-O 2.98Å; R777-L789 VanDerWaalsContact N-O 3.14Å; R777-L789 PolarHBondContact O-N 3.48Å
778	S	75.8	Confident	75.4	Confident	72 Å²	72	68.4 Å²	68.4	50%	0.503	36%	0.355	S	S	.	.	S	Bend	trans	-83.6	12.9	179.2	-35	0	0	0	0	114.1
779	Y	70.5	Confident	76.4	Confident	114 Å²	114	67.4 Å²	67.4	45%	0.447	34%	0.344	S	S	.	.	S	Bend	trans	-145.4	149.5	-177.4	57.4	-94.4	0	0	0	112.6	R777 N784 W787	R777-Y779 PolarHBondContact O-N 2.99Å; Y779-N784 WeakPolarHBondContact CA-O 3.47Å; Y779-W787 CarbonylContact C-O 3.52Å; Y779-W787 VanDerWaalsContact CA-O 3.26Å; Y779-W787 WeakPolarHBondContact CA-O 3.36Å
780	G	68.1	Low	76.8	Confident	5 Å²	5	60.8 Å²	60.8	5%	0.052	32%	0.315	C	S	.	.			trans	-78.2	-179	177.4	0	0	0	0	0	114.9	N782 G783 N784 W787	G780-N782 PolarHBondContact O-N 3.5Å; G780-G783 PolarHBondContact O-N 2.78Å; G780-N784 PolarHBondContact N-O 3.44Å; G780-W787 PolarHBondContact N-O 3.02Å; G780-W787 VanDerWaalsContact N-O 3.13Å
781	R	55.7	Low	77	Confident	192 Å²	192	61.3 Å²	61.3	73%	0.725	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-24.8	-175.7	-150.8	177.4	-156.6	173.2	6	114.8
782	N	58.8	Low	77	Confident	154 Å²	154	58.5 Å²	58.5	82%	0.824	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	22.1	-177.6	-57.3	0.5	0	0	0	112.7	G780 N784	G780-N782 PolarHBondContact O-N 3.5Å; N782-N784 PolarHBondContact O-N 3.39Å
783	G	57.3	Low	76.5	Confident	50 Å²	50	57.5 Å²	57.5	52%	0.515	29%	0.291	S	S	.	.	S	Bend	trans	74.7	9.2	-174.9	0	0	0	0	0	114.5	G780 T785	G780-G783 PolarHBondContact O-N 2.78Å; G783-T785 PolarHBondContact O-N 2.77Å
784	N	70	Confident	75.4	Confident	51 Å²	51	62.6 Å²	62.6	27%	0.273	32%	0.324	S	S	.	.			trans	-68.5	114.7	178.3	-177.9	-1.6	0	0	0	110.8	Y779 G780 N782 N786	Y779-N784 WeakPolarHBondContact CA-O 3.47Å; G780-N784 PolarHBondContact N-O 3.44Å; N782-N784 PolarHBondContact O-N 3.39Å; N784-N786 VanDerWaalsContact C-N 3.25Å; N784-N786 PolarHBondContact O-N 3.29Å; N784-N786 VanDerWaalsContact OD1-CB 3.25Å; N784-N786 WeakPolarHBondContact OD1-CB 3.4Å; N784-N786 PolarHBondContact OD1-N 2.77Å
785	T	76.3	Confident	74.6	Confident	97 Å²	97	70.5 Å²	70.5	60%	0.595	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.1	-179	51.9	0	0	0	0	114.1	G783 W787 T803	G783-T785 PolarHBondContact O-N 2.77Å; T785-W787 PolarHBondContact O-N 3.08Å; T785-T803 WeakPolarHBondContact O-CB 3.2Å; T785-T803 PolarHBondContact O-OG1 2.86Å
786	N	78	Confident	74	Confident	92 Å²	92	69.7 Å²	69.7	49%	0.492	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.9	176.6	-63.9	-14.9	0	0	0	113.1	N784 P802 T803	N784-N786 VanDerWaalsContact C-N 3.25Å; N784-N786 PolarHBondContact O-N 3.29Å; N784-N786 VanDerWaalsContact OD1-CB 3.25Å; N784-N786 WeakPolarHBondContact OD1-CB 3.4Å; N784-N786 PolarHBondContact OD1-N 2.77Å; N786-P802 CarbonylContact O-C 3.5Å; N786-P802 WeakPolarHBondContact O-CA 3.17Å; N786-T803 PolarHBondContact O-N 3.34Å; N786-T803 PolarHBondContact O-OG1 2.92Å
787	W	80.5	Confident	73.8	Confident	35 Å²	35	71.4 Å²	71.4	13%	0.133	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.1	179.8	-66.8	92.5	0	0	0	110.3	Q733 Y779 G780 T785 F800 P802 T803	Q733-W787 HydrophobicContact CB-CH2 4.26Å; Q733-W787 HydrophobicContact CB-CZ2 4.27Å; Q733-W787 HydrophobicContact CG-CH2 3.85Å; Q733-W787 HydrophobicContact CG-CZ2 4.28Å; Q733-W787 HydrophobicContact CG-CZ3 4.22Å; Y779-W787 CarbonylContact C-O 3.52Å; Y779-W787 VanDerWaalsContact CA-O 3.26Å; Y779-W787 WeakPolarHBondContact CA-O 3.36Å; G780-W787 PolarHBondContact N-O 3.02Å; G780-W787 VanDerWaalsContact N-O 3.13Å; T785-W787 PolarHBondContact O-N 3.08Å; W787-F800 HydrophobicContact CB-CD1 4.2Å; W787-F800 HydrophobicContact CE3-CB 4.01Å; W787-P802 HydrophobicContact CE3-CG 4.18Å; W787-P802 HydrophobicContact CH2-CG 4.04Å; W787-P802 HydrophobicContact CZ3-CG 3.76Å; W787-T803 VanDerWaalsContact C-OG1 3.29Å; W787-T803 PolarHBondContact N-OG1 3.48Å
788	S	82	Confident	73.8	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.8	173.8	-69.2	0	0	0	0	109.9	R777 F800 V801 T803	R777-S788 CarbonylContact O-C 3.43Å; R777-S788 VanDerWaalsContact O-CA 3.3Å; R777-S788 WeakPolarHBondContact O-CA 3.35Å; S788-F800 CarbonylContact O-C 3.55Å; S788-F800 WeakPolarHBondContact O-CA 3.41Å; S788-V801 PolarHBondContact N-O 3.16Å; S788-V801 PolarHBondContact O-N 3.32Å; S788-T803 PolarHBondContact N-OG1 3.01Å; S788-T803 WeakPolarHBondContact OG-CG2 3.24Å; S788-T803 PolarHBondContact OG-OG1 2.72Å
789	L	84.2	Confident	74	Confident	22 Å²	22	64.2 Å²	64.2	12%	0.115	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.9	170.7	-171.6	67.4	0	0	0	108.3	I776 R777 I798 F800	I776-L789 HydrophobicContact CB-CD2 4.42Å; I776-L789 HydrophobicContact CB-CG 4.43Å; I776-L789 WeakPolarHBondContact CB-O 3.43Å; I776-L789 HydrophobicContact CD1-CG 4.48Å; I776-L789 HydrophobicContact CG2-CD2 4.46Å; I776-L789 PolarHBondContact N-O 3.35Å; R777-L789 HydrophobicContact CB-CB 4.14Å; R777-L789 PolarHBondContact N-O 2.98Å; R777-L789 VanDerWaalsContact N-O 3.14Å; R777-L789 PolarHBondContact O-N 3.48Å; L789-I798 HydrophobicContact CD1-CG2 3.59Å; L789-I798 HydrophobicContact CD2-CG2 4.08Å; L789-I798 HydrophobicContact CG-CG2 3.72Å; L789-F800 HydrophobicContact CB-CD1 4.04Å; L789-F800 HydrophobicContact CB-CE1 3.66Å; L789-F800 HydrophobicContact CB-CZ 4.19Å; L789-F800 HydrophobicContact CD1-CD1 4.09Å; L789-F800 HydrophobicContact CD1-CD2 3.96Å; L789-F800 HydrophobicContact CD1-CE1 3.93Å; L789-F800 HydrophobicContact CD1-CE2 3.81Å; L789-F800 HydrophobicContact CD1-CG 4.1Å; L789-F800 HydrophobicContact CD1-CZ 3.8Å; L789-F800 HydrophobicContact CG-CE1 4.35Å; L789-F800 HydrophobicContact CG-CZ 4.44Å
790	V	84.5	Confident	74.6	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146.8	-175.7	-49.6	0	0	0	0	111.9	V773 T774 I775 F792 I798 K799 V801 L806	V773-V790 HydrophobicContact CB-CB 4Å; V773-V790 HydrophobicContact CB-CG2 3.95Å; V773-V790 HydrophobicContact CG1-CG2 4.02Å; V773-V790 HydrophobicContact CG2-CB 4.09Å; V773-V790 HydrophobicContact CG2-CG1 4.29Å; V773-V790 HydrophobicContact CG2-CG2 4.19Å; T774-V790 CarbonylContact O-C 3.57Å; T774-V790 VanDerWaalsContact O-CA 3.22Å; T774-V790 WeakPolarHBondContact O-CA 3.3Å; I775-V790 HydrophobicContact CG1-CG1 4.09Å; V790-F792 HydrophobicContact CG2-CD2 3.94Å; V790-F792 HydrophobicContact CG2-CE2 3.49Å; V790-F792 VanDerWaalsContact CG2-CE2 3.49Å; V790-F792 HydrophobicContact CG2-CZ 4.25Å; V790-I798 WeakPolarHBondContact O-CA 3.19Å; V790-K799 PolarHBondContact N-O 3.23Å; V790-K799 PolarHBondContact O-N 3.18Å; V790-V801 HydrophobicContact CG2-CB 4.17Å; V790-V801 HydrophobicContact CG2-CG2 3.45Å; V790-V801 VanDerWaalsContact CG2-CG2 3.45Å; V790-L806 HydrophobicContact CG1-CD1 3.77Å; V790-L806 HydrophobicContact CG1-CD2 4.32Å
791	K	83.4	Confident	75.2	Confident	38 Å²	38	59.8 Å²	59.8	17%	0.165	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.9	168.3	-172.7	-179.2	179.9	-175.5	0	108.3	D743 V773 T774 I776 E797 I798	D743-K791 IonicContact OD1-NZ 3.4Å; V773-K791 CarbonylContact C-O 3.6Å; V773-K791 WeakPolarHBondContact CA-O 3.37Å; V773-K791 WeakPolarHBondContact CB-O 3.1Å; T774-K791 PolarHBondContact N-O 3.35Å; T774-K791 PolarHBondContact O-N 3.06Å; I776-K791 HydrophobicContact CD1-CB 3.96Å; I776-K791 HydrophobicContact CG1-CB 4.18Å; K791-E797 CarbonylContact C-O 3.54Å; K791-E797 WeakPolarHBondContact CA-O 3.34Å; K791-I798 HydrophobicContact CB-CG1 4.44Å; K791-I798 HydrophobicContact CG-CG1 4.42Å
792	F	83.2	Confident	76.5	Confident	11 Å²	11	51.3 Å²	51.3	5%	0.048	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137.8	177.1	-76.6	-110.1	0	0	0	110.8	I753 Q771 V773 V790 G796 E797 K799 V801	I753-F792 HydrophobicContact CD1-CD1 4.33Å; I753-F792 HydrophobicContact CD1-CE1 3.32Å; I753-F792 HydrophobicContact CD1-CZ 3.56Å; Q771-F792 HydrophobicContact CB-CD1 4.39Å; Q771-F792 HydrophobicContact CB-CE1 4.49Å; V773-F792 HydrophobicContact CG1-CD1 3.78Å; V773-F792 HydrophobicContact CG1-CD2 4.18Å; V773-F792 HydrophobicContact CG1-CE1 3.98Å; V773-F792 HydrophobicContact CG1-CE2 4.31Å; V773-F792 HydrophobicContact CG1-CG 3.91Å; V773-F792 HydrophobicContact CG1-CZ 4.24Å; V790-F792 HydrophobicContact CG2-CD2 3.94Å; V790-F792 HydrophobicContact CG2-CE2 3.49Å; V790-F792 VanDerWaalsContact CG2-CE2 3.49Å; V790-F792 HydrophobicContact CG2-CZ 4.25Å; F792-G796 VanDerWaalsContact O-CA 3.26Å; F792-G796 WeakPolarHBondContact O-CA 2.93Å; F792-G796 PolarHBondContact O-N 3.47Å; F792-E797 HydrophobicContact CB-CB 4.42Å; F792-E797 WeakPolarHBondContact CD2-O 3.45Å; F792-E797 PolarHBondContact N-O 3.14Å; F792-K799 HydrophobicContact CD2-CB 4.46Å; F792-K799 HydrophobicContact CE2-CB 3.86Å; F792-K799 HydrophobicContact CE2-CD 4.33Å; F792-V801 HydrophobicContact CE2-CG2 3.87Å; F792-V801 HydrophobicContact CZ-CG2 3.67Å
793	H	76.7	Confident	77.7	Confident	32 Å²	32	46.1 Å²	46.1	15%	0.148	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	145	175.1	-77.5	-77.9	0	0	0	111.3	D747 L772 T774	D747-H793 IonicContact OD1-CE1 3.84Å; L772-H793 HydrophobicContact CB-CB 4.31Å; L772-H793 PolarHBondContact O-N 3.38Å; T774-H793 PolarHBondContact OG1-CD2 2.9Å; T774-H793 PolarHBondContact OG1-NE2 3.33Å
794	P	65.9	Low	78.9	Confident	106 Å²	106	49.4 Å²	49.4	69%	0.688	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.9	-7.2	-1	34	-35.5	0	0	0	114.2	G796	P794-G796 VanDerWaalsContact C-N 3.31Å; P794-G796 PolarHBondContact O-N 2.83Å
795	F	70	Confident	79.8	Confident	174 Å²	174	50.2 Å²	50.2	76%	0.763	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.6	-165.3	-59.2	-73.1	0	0	0	115.9	E797	F795-E797 PolarHBondContact O-N 2.8Å
796	G	72.7	Confident	80.3	Confident	27 Å²	27	46.8 Å²	46.8	28%	0.278	24%	0.24	S	C	.	.			trans	70.8	8.7	176.2	0	0	0	0	0	115.6	F792 P794 I798	F792-G796 VanDerWaalsContact O-CA 3.26Å; F792-G796 WeakPolarHBondContact O-CA 2.93Å; F792-G796 PolarHBondContact O-N 3.47Å; P794-G796 VanDerWaalsContact C-N 3.31Å; P794-G796 PolarHBondContact O-N 2.83Å; G796-I798 PolarHBondContact O-N 2.77Å
797	E	77.1	Confident	80.7	Confident	94 Å²	94	48 Å²	48	44%	0.439	24%	0.243	S	C	.	.			trans	-65	132.2	179.7	-69.6	-163.6	148.3	0	0	111.5	K791 F792 F795 K799	K791-E797 CarbonylContact C-O 3.54Å; K791-E797 WeakPolarHBondContact CA-O 3.34Å; F792-E797 HydrophobicContact CB-CB 4.42Å; F792-E797 WeakPolarHBondContact CD2-O 3.45Å; F792-E797 PolarHBondContact N-O 3.14Å; F795-E797 PolarHBondContact O-N 2.8Å; E797-K799 VanDerWaalsContact OE2-CE 3.3Å; E797-K799 WeakPolarHBondContact OE2-CE 3.21Å; E797-K799 IonicContact OE2-NZ 3.2Å; E797-K799 PolarHBondContact OE2-NZ 3.08Å
798	I	79.3	Confident	81	Confident	27 Å²	27	49.5 Å²	49.5	14%	0.138	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119	178.8	-56.3	-179	0	0	0	110.2	L739 V741 I776 L789 V790 K791 G796	L739-I798 HydrophobicContact CB-CD1 4.21Å; L739-I798 WeakPolarHBondContact O-CD1 3.25Å; V741-I798 HydrophobicContact CB-CD1 4.31Å; V741-I798 HydrophobicContact CG2-CD1 3.6Å; I776-I798 HydrophobicContact CD1-CB 4.3Å; I776-I798 HydrophobicContact CD1-CD1 3.61Å; I776-I798 HydrophobicContact CD1-CG1 3.8Å; I776-I798 HydrophobicContact CD1-CG2 3.59Å; L789-I798 HydrophobicContact CD1-CG2 3.59Å; L789-I798 HydrophobicContact CD2-CG2 4.08Å; L789-I798 HydrophobicContact CG-CG2 3.72Å; V790-I798 WeakPolarHBondContact O-CA 3.19Å; K791-I798 HydrophobicContact CB-CG1 4.44Å; K791-I798 HydrophobicContact CG-CG1 4.42Å; G796-I798 PolarHBondContact O-N 2.77Å
799	K	80.1	Confident	81.1	Confident	27 Å²	27	56 Å²	56	12%	0.117	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	159.8	-179.1	-67.5	171.1	175.7	161	0	111.8	T736 V790 F792 E797	T736-K799 HydrophobicContact CG2-CB 4.34Å; T736-K799 HydrophobicContact CG2-CG 4.49Å; V790-K799 PolarHBondContact N-O 3.23Å; V790-K799 PolarHBondContact O-N 3.18Å; F792-K799 HydrophobicContact CD2-CB 4.46Å; F792-K799 HydrophobicContact CE2-CB 3.86Å; F792-K799 HydrophobicContact CE2-CD 4.33Å; E797-K799 VanDerWaalsContact OE2-CE 3.3Å; E797-K799 WeakPolarHBondContact OE2-CE 3.21Å; E797-K799 IonicContact OE2-NZ 3.2Å; E797-K799 PolarHBondContact OE2-NZ 3.08Å
800	F	82.2	Confident	80.9	Confident	27 Å²	27	57.7 Å²	57.7	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	130.3	169.5	-77.5	-74.7	0	0	0	110.5	P734 T736 W787 S788 L789	P734-F800 HydrophobicContact CB-CD2 4.21Å; P734-F800 HydrophobicContact CB-CE2 4.24Å; P734-F800 HydrophobicContact CG-CD2 4.26Å; P734-F800 HydrophobicContact CG-CE2 4.46Å; P734-F800 HydrophobicContact CG-CG 4.5Å; T736-F800 HydrophobicContact CG2-CD2 3.99Å; W787-F800 HydrophobicContact CB-CD1 4.2Å; W787-F800 HydrophobicContact CE3-CB 4.01Å; S788-F800 CarbonylContact O-C 3.55Å; S788-F800 WeakPolarHBondContact O-CA 3.41Å; L789-F800 HydrophobicContact CB-CD1 4.04Å; L789-F800 HydrophobicContact CB-CE1 3.66Å; L789-F800 HydrophobicContact CB-CZ 4.19Å; L789-F800 HydrophobicContact CD1-CD1 4.09Å; L789-F800 HydrophobicContact CD1-CD2 3.96Å; L789-F800 HydrophobicContact CD1-CE1 3.93Å; L789-F800 HydrophobicContact CD1-CE2 3.81Å; L789-F800 HydrophobicContact CD1-CG 4.1Å; L789-F800 HydrophobicContact CD1-CZ 3.8Å; L789-F800 HydrophobicContact CG-CE1 4.35Å; L789-F800 HydrophobicContact CG-CZ 4.44Å
801	V	81.3	Confident	80.7	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.9	174.4	177.9	0	0	0	0	108	I753 F757 S788 V790 F792 T803 L806	I753-V801 HydrophobicContact CD1-CG2 4.28Å; F757-V801 HydrophobicContact CE1-CB 4.34Å; F757-V801 HydrophobicContact CE1-CG1 3.8Å; F757-V801 HydrophobicContact CE1-CG2 4.04Å; F757-V801 HydrophobicContact CZ-CB 4.2Å; F757-V801 HydrophobicContact CZ-CG1 4.14Å; F757-V801 HydrophobicContact CZ-CG2 3.86Å; S788-V801 PolarHBondContact N-O 3.16Å; S788-V801 PolarHBondContact O-N 3.32Å; V790-V801 HydrophobicContact CG2-CB 4.17Å; V790-V801 HydrophobicContact CG2-CG2 3.45Å; V790-V801 VanDerWaalsContact CG2-CG2 3.45Å; F792-V801 HydrophobicContact CE2-CG2 3.87Å; F792-V801 HydrophobicContact CZ-CG2 3.67Å; V801-T803 PolarHBondContact O-N 3.35Å; V801-L806 HydrophobicContact CB-CD2 4.3Å; V801-L806 HydrophobicContact CG1-CD2 3.79Å; V801-L806 HydrophobicContact CG1-CG 4.19Å
802	P	83.2	Confident	80.6	Confident	14 Å²	14	62 Å²	62	9%	0.091	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	129.3	171.1	-24.5	35.4	0	0	0	110.3	N786 W787 N804 Y805	N786-P802 CarbonylContact O-C 3.5Å; N786-P802 WeakPolarHBondContact O-CA 3.17Å; W787-P802 HydrophobicContact CE3-CG 4.18Å; W787-P802 HydrophobicContact CH2-CG 4.04Å; W787-P802 HydrophobicContact CZ3-CG 3.76Å; P802-N804 WeakPolarHBondContact CB-OD1 3.08Å; P802-N804 PolarHBondContact O-N 3.15Å; P802-Y805 HydrophobicContact CB-CD1 4.07Å; P802-Y805 HydrophobicContact CB-CD2 4.26Å; P802-Y805 HydrophobicContact CB-CE1 4.42Å; P802-Y805 HydrophobicContact CB-CG 3.97Å; P802-Y805 HydrophobicContact CG-CD1 3.82Å; P802-Y805 HydrophobicContact CG-CE1 3.99Å; P802-Y805 HydrophobicContact CG-CG 4.24Å; P802-Y805 WeakPolarHBondContact O-CB 3.46Å; P802-Y805 PolarHBondContact O-N 3.27Å
803	T	83.1	Confident	80.4	Confident	45 Å²	45	65 Å²	65	28%	0.276	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-60.2	-33.1	-174.8	-54.3	0	0	0	0	111.8	T785 N786 W787 S788 V801 Y805 L806	T785-T803 WeakPolarHBondContact O-CB 3.2Å; T785-T803 PolarHBondContact O-OG1 2.86Å; N786-T803 PolarHBondContact O-N 3.34Å; N786-T803 PolarHBondContact O-OG1 2.92Å; W787-T803 VanDerWaalsContact C-OG1 3.29Å; W787-T803 PolarHBondContact N-OG1 3.48Å; S788-T803 PolarHBondContact N-OG1 3.01Å; S788-T803 WeakPolarHBondContact OG-CG2 3.24Å; S788-T803 PolarHBondContact OG-OG1 2.72Å; V801-T803 PolarHBondContact O-N 3.35Å; T803-Y805 PolarHBondContact O-N 3.09Å; T803-L806 PolarHBondContact O-N 2.76Å
804	N	83.7	Confident	80.7	Confident	119 Å²	119	67.1 Å²	67.1	64%	0.636	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-71.6	-7.2	176.2	65.4	-35.8	0	0	0	114.5	P802	P802-N804 WeakPolarHBondContact CB-OD1 3.08Å; P802-N804 PolarHBondContact O-N 3.15Å
805	Y	88.8	Confident	81.6	Confident	68 Å²	68	64.5 Å²	64.5	27%	0.267	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-96.3	4.7	175	-68.1	-172.9	0	0	0	112.1	I753 T754 H755 F757 P802 T803	I753-Y805 CarbonylContact C-O 3.58Å; I753-Y805 WeakPolarHBondContact CA-O 3.18Å; T754-Y805 PolarHBondContact N-O 3.09Å; T754-Y805 WeakPolarHBondContact OG1-CA 3.13Å; T754-Y805 PolarHBondContact OG1-O 3Å; H755-Y805 HydrophobicContact CB-CD1 4.08Å; H755-Y805 HydrophobicContact CB-CD2 4.4Å; H755-Y805 HydrophobicContact CB-CE1 4.15Å; H755-Y805 HydrophobicContact CB-CE2 4.47Å; H755-Y805 HydrophobicContact CB-CG 4.22Å; H755-Y805 AromaticContact CD2-CD2 3.84Å; F757-Y805 HydrophobicContact CB-CD1 4.33Å; F757-Y805 HydrophobicContact CB-CE1 3.9Å; F757-Y805 AromaticContact CD1-CD1 3.96Å; F757-Y805 HydrophobicContact CD1-CD1 3.96Å; F757-Y805 HydrophobicContact CD1-CE1 4.38Å; F757-Y805 HydrophobicContact CG-CD1 4.28Å; F757-Y805 HydrophobicContact CG-CE1 4.25Å; P802-Y805 HydrophobicContact CB-CD1 4.07Å; P802-Y805 HydrophobicContact CB-CD2 4.26Å; P802-Y805 HydrophobicContact CB-CE1 4.42Å; P802-Y805 HydrophobicContact CB-CG 3.97Å; P802-Y805 HydrophobicContact CG-CD1 3.82Å; P802-Y805 HydrophobicContact CG-CE1 3.99Å; P802-Y805 HydrophobicContact CG-CG 4.24Å; P802-Y805 WeakPolarHBondContact O-CB 3.46Å; P802-Y805 PolarHBondContact O-N 3.27Å; T803-Y805 PolarHBondContact O-N 3.09Å
806	L	87.3	Confident	82.5	Confident	24 Å²	24	56.6 Å²	56.6	13%	0.126	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.7	179.4	-58.6	176.3	0	0	0	109.3	H751 I753 V773 I775 V790 V801 T803	H751-L806 HydrophobicContact CB-CB 4.4Å; I753-L806 HydrophobicContact CG1-CD2 4.29Å; V773-L806 HydrophobicContact CG2-CD2 3.71Å; I775-L806 HydrophobicContact CD1-CD1 3.83Å; I775-L806 HydrophobicContact CG1-CD1 3.98Å; V790-L806 HydrophobicContact CG1-CD1 3.77Å; V790-L806 HydrophobicContact CG1-CD2 4.32Å; V801-L806 HydrophobicContact CB-CD2 4.3Å; V801-L806 HydrophobicContact CG1-CD2 3.79Å; V801-L806 HydrophobicContact CG1-CG 4.19Å; T803-L806 PolarHBondContact O-N 2.76Å
807	E	86.3	Confident	83.2	Confident	117 Å²	117	58.9 Å²	58.9	55%	0.547	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133	170.4	-179.3	175.2	-152.9	0	0	108.1	H751 R752 T754	H751-E807 CarbonylContact C-O 3.15Å; H751-E807 WeakPolarHBondContact CA-O 3.33Å; H751-E807 WeakPolarHBondContact CB-O 3.39Å; R752-E807 PolarHBondContact N-O 2.94Å; R752-E807 PolarHBondContact O-N 3.49Å; T754-E807 HydrophobicContact CG2-CB 3.46Å; T754-E807 VanDerWaalsContact CG2-CB 3.46Å; T754-E807 HydrophobicContact CG2-CG 4.44Å; T754-E807 WeakPolarHBondContact CG2-OE2 3.33Å
808	A	86.7	Confident	83.7	Confident	68 Å²	68	56 Å²	56	56%	0.562	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	141.1	175.1	0	0	0	0	0	109.9
809	I	82.8	Confident	84.1	Confident	136 Å²	136	58.6 Å²	58.6	70%	0.697	31%	0.313	S	S	*	.			trans	-73.1	0	179.5	-64.4	163.5	0	0	0	111.2	P749 T750 R752 L772	P749-I809 HydrophobicContact CB-CD1 3.76Å; P749-I809 HydrophobicContact CG-CD1 4.12Å; P749-I809 WeakPolarHBondContact O-CD1 3.24Å; T750-I809 PolarHBondContact O-N 2.67Å; R752-I809 HydrophobicContact CB-CG1 4.32Å; L772-I809 HydrophobicContact CD2-CD1 3.69Å; L772-I809 HydrophobicContact CD2-CG1 4.23Å

Retrieved 809 of 809 residues in 1335 ms (Link to these results)

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