A0A087YMX3_POEFO Loading...

Pleckstrin homology like domain family B member 2

AlphaFold DB , UniProt , Accession A0A087YMX3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,029 aa.

						>A0A087YMX3_POEFO|A0A087YMX3
MNSMLPQRSAVATLGYASDCLKIEHSSGSSVGGTLLRGSRSKAELQELMETLQRRKSALEASLRAAECSRKYLSVPSSVAGQPSRPLSILSNTERPPSASRNFSYINSNSVPPSPRQGDRQFSTNGLFRHSYSRHQSQDSLLLSNAPDGNSLLSSYGEPVPRSPRVKSGAASMPSSPRMSRRLSSQSKAVGESRQRKYSTGSLNNLGMHSRSLPRLHNAADPPVLSLPSRHSVGSHRVVVSAGQRRSLSSLEQPPDVTVPASMPSTSRRSSLASLSSLGIEIDGTGLDLGLGERRLSFGKSGLSPGQRVGSISSLNGKEELRDYHQHQRDERLREQKVQKLECQRLETILSLCTELGQVVREPTGSAVSDLQKINKELEKLQVSDDESVFSDSPSSTAPDTCFGAKARDLQLPEEQQAIQRQQGNYRSHSPAISLNSSAPSPSTHHRAKALESMQLKQEVSHLEEERIQVLNNIEELEQKIKDLDNQMEESLREMEVECALLDGEQESEMTQLQREKELLDELKEKMQSIERTSKPEKSQESEEQTKTSEDSEFQKLEREIKQEEENESQSQELLRDIAEYQRLSITRKERIMTLKKQSSQITLQAQQEKENFQREKNNLLVMLQKERDKLLSLEGKYVELSEGQTLTNNPVAIKEHLNLLKERRRSSKESSSHPIESIPHKRGQQLLGSYGRSLGRTLPPKAHLPLSQSSSCGSVIPQGFSFSPREVNARRLPKAGNSHAHMNDDRQRQSDFCSRMVSEPNVFLDSFSYPDNSQASDTVSVDSSDSLETSFSACSPDNISSASTSNMAKIEEMERLLREAQAEKLRLLEHREREMEMRRQALEEERRRREELEKRLQEETSRRQKLVEREVKLREKQRSQSRLLTRYLPVRKDDFDLHGHIEAAGHNPDACFHLAITDKTCRGFLVKMGGKIKTWKKRWFVFDQNRRTLTYYADKHENKMKGVIYFQAIEEVYYDHLKNAHKSPNPSLTFSVKTHDRVYYMVAPSPEAMRIWMDVIVTGAEGHMHFMV
					

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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	36	Very low	31	Very low	242 Å²	242	148.6 Å²	148.6	100%	1.192	81%	0.811	S	S	*	*				0	154.7	0	-77.2	170.4	163.2	0	0	108.8
2	N	32.7	Very low	30.6	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	81%	0.806	S	S	*	*			trans	-18.7	127.2	173.2	-53.8	2.2	0	0	0	115.4
3	S	32.1	Very low	30.3	Very low	97 Å²	97	143 Å²	143	68%	0.678	81%	0.807	S	S	*	*			cis	94.6	149.4	39.5	78.2	0	0	0	0	115.1
4	M	31.4	Very low	30.1	Very low	183 Å²	183	143.6 Å²	143.6	90%	0.901	81%	0.806	S	S	*	*			trans	77.3	121.8	164.9	-59	-160.3	169.1	0	0	121
5	L	35.5	Very low	29.8	Very low	156 Å²	156	139.3 Å²	139.3	82%	0.817	81%	0.807	S	S	*	*			trans	-65.5	154.7	148.8	-66.5	160.1	0	0	0	109.7
6	P	40.3	Very low	29.6	Very low	120 Å²	120	144.3 Å²	144.3	78%	0.779	81%	0.81	S	S	*	*				-134	158.5	89.9	38.6	-28	0	0	0	111.8
7	Q	27.1	Very low	29.3	Very low	133 Å²	133	140.5 Å²	140.5	62%	0.621	80%	0.802	S	S	*	*			cis	82.1	122.6	27.1	-143.9	-153.2	71.5	0	0	115.4
8	R	28.4	Very low	29.8	Very low	223 Å²	223	138.4 Å²	138.4	84%	0.842	80%	0.797	S	S	*	*			trans	67.5	164.7	170.1	-69.7	166.6	-176.9	-175.4	0.7	114.5
9	S	25.9	Very low	29.8	Very low	118 Å²	118	139.2 Å²	139.2	83%	0.825	80%	0.798	S	S	*	*			cis	-116.8	-133.3	8.8	62.8	0	0	0	0	113.9
10	A	25.8	Very low	29.8	Very low	80 Å²	80	137.4 Å²	137.4	66%	0.661	79%	0.793	S	S	*	*			trans	-165.7	-164.3	-173.7	0	0	0	0	0	109.1
11	V	25.5	Very low	29.8	Very low	132 Å²	132	137.7 Å²	137.7	80%	0.8	79%	0.791	S	S	*	*			trans	74.4	106.2	176.5	-170.9	0	0	0	0	112.1
12	A	26.3	Very low	29.6	Very low	91 Å²	91	133.5 Å²	133.5	75%	0.752	77%	0.766	S	S	*	*			cis	74.5	131.4	43.6	0	0	0	0	0	114.8
13	T	26.4	Very low	29.5	Very low	133 Å²	133	132.3 Å²	132.3	82%	0.816	76%	0.759	S	S	*	*			trans	-179.7	157.3	145.7	-78.7	0	0	0	0	110.6
14	L	27.7	Very low	29.3	Very low	151 Å²	151	133.7 Å²	133.7	79%	0.791	76%	0.755	S	S	*	*			trans	-58	163.1	-168.3	-68.8	68.2	0	0	0	116.7
15	G	25.3	Very low	29.5	Very low	80 Å²	80	132.4 Å²	132.4	83%	0.825	75%	0.746	S	S	*	*			trans	-166.8	82.3	166.3	0	0	0	0	0	115.4
16	Y	26.6	Very low	29.4	Very low	218 Å²	218	130 Å²	130	86%	0.855	74%	0.743	S	S	*	*			trans	-50.9	157.7	162	-87.4	-94.3	0	0	0	112.9
17	A	25.8	Very low	29.1	Very low	81 Å²	81	129.8 Å²	129.8	67%	0.669	74%	0.744	S	S	*	*			cis	-155.2	169.8	-0.3	0	0	0	0	0	111.1
18	S	38.4	Very low	29.2	Very low	103 Å²	103	126.7 Å²	126.7	72%	0.72	75%	0.747	S	S	*	*			trans	-69.7	145.4	143.3	-60.5	0	0	0	0	109
19	D	29.2	Very low	29.3	Very low	153 Å²	153	121.9 Å²	121.9	82%	0.818	75%	0.748	S	S	*	*				-179.8	166.4	117	-102.4	-5	0	0	0	115.4
20	C	29.9	Very low	29.6	Very low	103 Å²	103	121.5 Å²	121.5	70%	0.696	75%	0.745	S	S	*	*			trans	98.7	160.3	130.8	-115.5	0	0	0	0	121.8
21	L	30.1	Very low	30.1	Very low	144 Å²	144	124.3 Å²	124.3	75%	0.754	75%	0.754	S	S	*	*			trans	90.8	127.8	159.9	-46.6	-164.5	0	0	0	118.3
22	K	30.7	Very low	30.3	Very low	153 Å²	153	121.7 Å²	121.7	67%	0.665	75%	0.754	S	S	*	*			cis	-173.3	175.1	-20	-132.7	-172.6	171.4	-146.2	0	111
23	I	30.8	Very low	30.8	Very low	126 Å²	126	120.9 Å²	120.9	65%	0.646	75%	0.754	S	S	*	*			trans	77.8	132.5	142	-81.2	170.2	0	0	0	119.2
24	E	28.8	Very low	31.3	Very low	127 Å²	127	121.5 Å²	121.5	59%	0.593	76%	0.758	S	S	*	*			cis	-160.8	175.7	-15	-127.2	170.7	-139.6	0	0	115.5
25	H	34.9	Very low	31.9	Very low	156 Å²	156	121.9 Å²	121.9	72%	0.722	76%	0.76	S	S	*	*			trans	-8.6	153.1	164.6	-57.7	-32.3	0	0	0	121.6
26	S	32.9	Very low	32.6	Very low	106 Å²	106	126 Å²	126	74%	0.741	76%	0.762	S	S	*	*			cis	-167.2	-162.7	-13	57.5	0	0	0	0	107.3
27	S	34.6	Very low	33.1	Very low	115 Å²	115	127.7 Å²	127.7	80%	0.804	77%	0.767	S	S	*	*			cis	-170.1	169.1	-1.7	21.7	0	0	0	0	106
28	G	29.5	Very low	33.8	Very low	67 Å²	67	127.1 Å²	127.1	69%	0.691	77%	0.768	S	S	*	*			cis	167.2	163.3	1	0	0	0	0	0	109.9
29	S	30.8	Very low	34.1	Very low	122 Å²	122	128.3 Å²	128.3	85%	0.853	78%	0.777	S	S	*	*			trans	63.3	148.1	-172	-72.9	0	0	0	0	116.7
30	S	31.4	Very low	35.6	Very low	110 Å²	110	130 Å²	130	77%	0.769	77%	0.772	S	S	*	*			cis	-177.7	150.5	-21.5	-95.8	0	0	0	0	108.7
31	V	35.4	Very low	37.6	Very low	140 Å²	140	127.7 Å²	127.7	85%	0.848	76%	0.756	S	S	*	*			cis	-162.6	153.2	-21.5	85.8	0	0	0	0	109.4
32	G	31.4	Very low	39.6	Very low	77 Å²	77	128.9 Å²	128.9	79%	0.794	76%	0.755	S	S	*	*			trans	79.7	144.3	174.9	0	0	0	0	0	115.6
33	G	36.1	Very low	41.2	Very low	74 Å²	74	125 Å²	125	76%	0.763	75%	0.752	S	S	*	*			cis	133.9	124.4	3.9	0	0	0	0	0	108.8
34	T	37.9	Very low	43.3	Very low	145 Å²	145	123.3 Å²	123.3	89%	0.89	74%	0.741	S	S	*	*			cis	-166	-179.7	39.2	-58	0	0	0	0	108.9
35	L	40.3	Very low	45.6	Very low	160 Å²	160	122 Å²	122	84%	0.838	74%	0.738	S	S	*	*				-148.1	147.4	-87.8	-145.3	165.3	0	0	0	108.8
36	L	38.7	Very low	47.5	Very low	165 Å²	165	120.3 Å²	120.3	86%	0.864	73%	0.73	S	S	*	*			trans	-82.8	154.7	178.7	-78	166	0	0	0	113.5	G38	L36-G38 PolarHBondContact O-N 3.35Å
37	R	37.8	Very low	49.8	Very low	255 Å²	255	121.2 Å²	121.2	96%	0.962	72%	0.723	S	S	*	*			trans	-68.7	113.7	-173.6	-161	-175.8	-156.3	-169.4	9	112.3
38	G	39.8	Very low	52.3	Low	68 Å²	68	119.5 Å²	119.5	70%	0.701	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-77.2	164.2	-177.2	0	0	0	0	0	115.6	L36	L36-G38 PolarHBondContact O-N 3.35Å
39	S	46	Very low	54.7	Low	128 Å²	128	122.2 Å²	122.2	90%	0.895	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-72.3	134.8	168.9	-55	0	0	0	0	110.8
40	R	59.3	Low	57.1	Low	190 Å²	190	121.3 Å²	121.3	72%	0.717	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-60.9	139.8	175.8	-75.6	-176.9	170.9	-179.1	-4.3	111.5	E44	R40-E44 WeakPolarHBondContact CA-OE2 3.24Å
41	S	71.6	Confident	59.8	Low	53 Å²	53	118.1 Å²	118.1	37%	0.371	66%	0.659	S	S	.	*	P	Polyproline II helix	trans	-70	158.4	177.4	70.3	0	0	0	0	112.1	A43 E44 L45	S41-A43 PolarHBondContact O-N 2.94Å; S41-E44 WeakPolarHBondContact CB-OE2 3.09Å; S41-E44 PolarHBondContact N-OE2 3.33Å; S41-E44 PolarHBondContact O-N 2.79Å; S41-E44 WeakPolarHBondContact OG-CG 3.45Å; S41-E44 PolarHBondContact OG-N 2.76Å; S41-E44 PolarHBondContact OG-OE2 2.79Å; S41-L45 PolarHBondContact O-N 3.44Å
42	K	72.3	Confident	62	Low	169 Å²	169	116.2 Å²	116.2	74%	0.735	64%	0.643	S	S	*	*	H	α-helix	trans	-60.3	-31.5	172.9	-174.5	-176	172.5	-169	0	111.9	Q46	K42-Q46 WeakPolarHBondContact O-CB 3.41Å; K42-Q46 PolarHBondContact O-N 2.73Å
43	A	64.6	Low	64.2	Low	71 Å²	71	118.4 Å²	118.4	59%	0.587	63%	0.633	S	S	*	*	H	α-helix	trans	-66.3	-52.7	178	0	0	0	0	0	111.4	S41 L45 Q46 E47	S41-A43 PolarHBondContact O-N 2.94Å; A43-L45 VanDerWaalsContact C-N 3.26Å; A43-L45 PolarHBondContact O-N 3.29Å; A43-Q46 PolarHBondContact O-N 3.05Å; A43-E47 WeakPolarHBondContact O-CB 3.5Å; A43-E47 PolarHBondContact O-N 3Å
44	E	74.7	Confident	66.4	Low	91 Å²	91	121.7 Å²	121.7	43%	0.425	62%	0.622	S	S	.	*	H	α-helix	trans	-56.9	-39	176	-70.1	164.4	106.7	0	0	112.1	R40 S41 L48	R40-E44 WeakPolarHBondContact CA-OE2 3.24Å; S41-E44 WeakPolarHBondContact CB-OE2 3.09Å; S41-E44 PolarHBondContact N-OE2 3.33Å; S41-E44 PolarHBondContact O-N 2.79Å; S41-E44 WeakPolarHBondContact OG-CG 3.45Å; S41-E44 PolarHBondContact OG-N 2.76Å; S41-E44 PolarHBondContact OG-OE2 2.79Å; E44-L48 WeakPolarHBondContact O-CB 3.4Å; E44-L48 PolarHBondContact O-N 3.29Å
45	L	77.8	Confident	68.5	Low	99 Å²	99	123.4 Å²	123.4	52%	0.518	61%	0.612	S	S	.	*	H	α-helix	trans	-67.5	-38	177.2	-177	61.5	0	0	0	112	S41 A43 M49	S41-L45 PolarHBondContact O-N 3.44Å; A43-L45 VanDerWaalsContact C-N 3.26Å; A43-L45 PolarHBondContact O-N 3.29Å; L45-M49 WeakPolarHBondContact O-CG 3.19Å; L45-M49 PolarHBondContact O-N 3.09Å
46	Q	74.9	Confident	70.6	Confident	121 Å²	121	121.9 Å²	121.9	57%	0.565	60%	0.599	S	S	*	*	H	α-helix	trans	-74.2	-37.6	179.2	-169.9	164.4	-30.5	0	0	111.8	K42 A43 M49 E50	K42-Q46 WeakPolarHBondContact O-CB 3.41Å; K42-Q46 PolarHBondContact O-N 2.73Å; A43-Q46 PolarHBondContact O-N 3.05Å; Q46-M49 PolarHBondContact O-N 3.02Å; Q46-E50 PolarHBondContact O-N 2.88Å
47	E	81.9	Confident	72.6	Confident	126 Å²	126	117.3 Å²	117.3	59%	0.589	58%	0.581	S	S	*	*	H	α-helix	trans	-64.8	-40.6	171.1	-178.1	177.8	-161.5	0	0	112.1	A43 E50 T51	A43-E47 WeakPolarHBondContact O-CB 3.5Å; A43-E47 PolarHBondContact O-N 3Å; E47-E50 PolarHBondContact O-N 3.46Å; E47-T51 VanDerWaalsContact O-CB 3.29Å; E47-T51 WeakPolarHBondContact O-CB 3.18Å; E47-T51 PolarHBondContact O-N 2.88Å; E47-T51 PolarHBondContact O-OG1 3.21Å
48	L	85.7	Confident	74.6	Confident	78 Å²	78	107.9 Å²	107.9	41%	0.408	56%	0.557	S	S	.	*	H	α-helix	trans	-61.4	-45.4	172.5	-174.4	75.7	0	0	0	111.1	E44 T51 L52	E44-L48 WeakPolarHBondContact O-CB 3.4Å; E44-L48 PolarHBondContact O-N 3.29Å; L48-T51 PolarHBondContact O-N 3.42Å; L48-L52 HydrophobicContact CG-CD1 4.21Å; L48-L52 WeakPolarHBondContact O-CB 3.47Å; L48-L52 VanDerWaalsContact O-CG 3.28Å; L48-L52 WeakPolarHBondContact O-CG 3.39Å; L48-L52 PolarHBondContact O-N 3.47Å
49	M	80.8	Confident	76.6	Confident	124 Å²	124	110 Å²	110	61%	0.611	55%	0.552	S	S	*	*	H	α-helix	trans	-61.3	-43.9	175.4	-79.7	-177.9	62.5	0	0	112.1	L45 Q46 L52 Q53	L45-M49 WeakPolarHBondContact O-CG 3.19Å; L45-M49 PolarHBondContact O-N 3.09Å; Q46-M49 PolarHBondContact O-N 3.02Å; M49-L52 PolarHBondContact O-N 3.31Å; M49-Q53 WeakPolarHBondContact O-CB 3.23Å; M49-Q53 PolarHBondContact O-N 3.08Å
50	E	80.6	Confident	78.2	Confident	103 Å²	103	107.8 Å²	107.8	48%	0.481	53%	0.527	S	S	.	.	H	α-helix	trans	-66.9	-40.5	178.4	-155.2	-165.7	127.2	0	0	111.4	Q46 E47 L52 Q53 R54	Q46-E50 PolarHBondContact O-N 2.88Å; E47-E50 PolarHBondContact O-N 3.46Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 2.84Å; E50-Q53 WeakPolarHBondContact O-CB 3.3Å; E50-Q53 PolarHBondContact O-N 2.98Å; E50-R54 VanDerWaalsContact CD-NH2 3.31Å; E50-R54 WeakPolarHBondContact O-CG 2.97Å; E50-R54 PolarHBondContact O-N 2.82Å; E50-R54 IonicContact OE1-CZ 2.85Å; E50-R54 VanDerWaalsContact OE1-CZ 3.23Å; E50-R54 IonicContact OE1-NE 2.69Å; E50-R54 PolarHBondContact OE1-NE 3.27Å; E50-R54 IonicContact OE1-NH2 3.42Å; E50-R54 PolarHBondContact OE1-NH2 3.03Å; E50-R54 IonicContact OE2-NH2 2.7Å
51	T	88.3	Confident	78.9	Confident	44 Å²	44	101.4 Å²	101.4	27%	0.27	52%	0.515	S	S	.	.	H	α-helix	trans	-62.4	-40.3	175.2	-60.2	0	0	0	0	111.9	E47 L48 R55	E47-T51 VanDerWaalsContact O-CB 3.29Å; E47-T51 WeakPolarHBondContact O-CB 3.18Å; E47-T51 PolarHBondContact O-N 2.88Å; E47-T51 PolarHBondContact O-OG1 3.21Å; L48-T51 PolarHBondContact O-N 3.42Å; T51-R55 WeakPolarHBondContact O-CB 3.35Å; T51-R55 WeakPolarHBondContact O-CG 3.41Å; T51-R55 PolarHBondContact O-N 2.84Å
52	L	81.6	Confident	79.1	Confident	100 Å²	100	102.6 Å²	102.6	52%	0.524	52%	0.524	S	S	.	.	H	α-helix	trans	-66.6	-40.1	173	-73.5	168.8	0	0	0	111.9	L48 M49 E50 R55 K56	L48-L52 HydrophobicContact CG-CD1 4.21Å; L48-L52 WeakPolarHBondContact O-CB 3.47Å; L48-L52 VanDerWaalsContact O-CG 3.28Å; L48-L52 WeakPolarHBondContact O-CG 3.39Å; L48-L52 PolarHBondContact O-N 3.47Å; M49-L52 PolarHBondContact O-N 3.31Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 2.84Å; L52-R55 PolarHBondContact O-N 3.12Å; L52-K56 WeakPolarHBondContact O-CB 3.38Å; L52-K56 PolarHBondContact O-N 2.79Å
53	Q	78.1	Confident	79	Confident	123 Å²	123	99.3 Å²	99.3	58%	0.575	51%	0.514	S	S	*	.	H	α-helix	trans	-64.3	-44.6	176.2	-165.4	78.3	-18.3	0	0	111.3	M49 E50 K56 S57	M49-Q53 WeakPolarHBondContact O-CB 3.23Å; M49-Q53 PolarHBondContact O-N 3.08Å; E50-Q53 WeakPolarHBondContact O-CB 3.3Å; E50-Q53 PolarHBondContact O-N 2.98Å; Q53-K56 PolarHBondContact O-N 2.87Å; Q53-S57 PolarHBondContact O-N 3.05Å; Q53-S57 PolarHBondContact O-OG 3.31Å
54	R	81.9	Confident	79.5	Confident	143 Å²	143	103.3 Å²	103.3	54%	0.54	51%	0.513	S	S	.	.	H	α-helix	trans	-60.8	-45.3	173.9	-68.2	-174	-138	139.7	-2	111.3	E50 K56 S57 A58	E50-R54 VanDerWaalsContact CD-NH2 3.31Å; E50-R54 WeakPolarHBondContact O-CG 2.97Å; E50-R54 PolarHBondContact O-N 2.82Å; E50-R54 IonicContact OE1-CZ 2.85Å; E50-R54 VanDerWaalsContact OE1-CZ 3.23Å; E50-R54 IonicContact OE1-NE 2.69Å; E50-R54 PolarHBondContact OE1-NE 3.27Å; E50-R54 IonicContact OE1-NH2 3.42Å; E50-R54 PolarHBondContact OE1-NH2 3.03Å; E50-R54 IonicContact OE2-NH2 2.7Å; R54-K56 PolarHBondContact O-N 3.47Å; R54-S57 PolarHBondContact O-N 3.17Å; R54-A58 WeakPolarHBondContact O-CB 3.41Å; R54-A58 PolarHBondContact O-N 2.97Å
55	R	82.4	Confident	79.2	Confident	181 Å²	181	102 Å²	102	68%	0.683	52%	0.518	S	S	*	.	H	α-helix	trans	-62.2	-40.4	175.7	-79.8	-178.6	172.9	169.1	-0.6	112.8	T51 L52 A58 L59	T51-R55 WeakPolarHBondContact O-CB 3.35Å; T51-R55 WeakPolarHBondContact O-CG 3.41Å; T51-R55 PolarHBondContact O-N 2.84Å; L52-R55 PolarHBondContact O-N 3.12Å; R55-A58 PolarHBondContact O-N 3Å; R55-L59 WeakPolarHBondContact O-CB 3.47Å; R55-L59 PolarHBondContact O-N 2.81Å
56	K	83.8	Confident	78.5	Confident	128 Å²	128	100 Å²	100	56%	0.557	52%	0.516	S	S	*	.	H	α-helix	trans	-60.1	-51.6	173.9	-176.7	-171.8	171.8	-171.7	0	111	L52 Q53 R54 A58 L59 E60	L52-K56 WeakPolarHBondContact O-CB 3.38Å; L52-K56 PolarHBondContact O-N 2.79Å; Q53-K56 PolarHBondContact O-N 2.87Å; R54-K56 PolarHBondContact O-N 3.47Å; K56-A58 VanDerWaalsContact C-N 3.32Å; K56-A58 PolarHBondContact O-N 3.08Å; K56-L59 PolarHBondContact O-N 3.19Å; K56-E60 WeakPolarHBondContact O-CB 3.26Å; K56-E60 PolarHBondContact O-N 3.48Å
57	S	80.6	Confident	77.9	Confident	69 Å²	69	99.9 Å²	99.9	48%	0.483	52%	0.515	S	S	.	.	H	α-helix	trans	-63.7	-35.8	-179.7	-62.4	0	0	0	0	112.9	Q53 R54 A61	Q53-S57 PolarHBondContact O-N 3.05Å; Q53-S57 PolarHBondContact O-OG 3.31Å; R54-S57 PolarHBondContact O-N 3.17Å; S57-A61 WeakPolarHBondContact O-CB 3.29Å; S57-A61 PolarHBondContact O-N 2.82Å
58	A	79.3	Confident	76.4	Confident	56 Å²	56	97.1 Å²	97.1	46%	0.463	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-46.5	173.8	0	0	0	0	0	111.8	R54 R55 K56 E60 A61 S62	R54-A58 WeakPolarHBondContact O-CB 3.41Å; R54-A58 PolarHBondContact O-N 2.97Å; R55-A58 PolarHBondContact O-N 3Å; K56-A58 VanDerWaalsContact C-N 3.32Å; K56-A58 PolarHBondContact O-N 3.08Å; A58-E60 VanDerWaalsContact C-N 3.34Å; A58-E60 PolarHBondContact O-N 3.21Å; A58-A61 WeakPolarHBondContact O-CB 3.25Å; A58-A61 PolarHBondContact O-N 3.08Å; A58-S62 PolarHBondContact O-N 3.13Å; A58-S62 PolarHBondContact O-OG 2.99Å
59	L	81.8	Confident	74.4	Confident	114 Å²	114	97.3 Å²	97.3	60%	0.597	52%	0.517	S	S	*	.	H	α-helix	trans	-65.7	-36.3	178.1	-173	143.1	0	0	0	112.2	R55 K56 S62 L63	R55-L59 WeakPolarHBondContact O-CB 3.47Å; R55-L59 PolarHBondContact O-N 2.81Å; K56-L59 PolarHBondContact O-N 3.19Å; L59-S62 PolarHBondContact O-N 3.24Å; L59-L63 HydrophobicContact CD2-CD1 3.96Å; L59-L63 PolarHBondContact O-N 3.22Å
60	E	81.4	Confident	72.8	Confident	80 Å²	80	101.6 Å²	101.6	37%	0.374	53%	0.526	S	S	.	.	H	α-helix	trans	-66.2	-37.3	172.9	-159.4	-173.5	123.8	0	0	111.9	K56 A58 L63 R64	K56-E60 WeakPolarHBondContact O-CB 3.26Å; K56-E60 PolarHBondContact O-N 3.48Å; A58-E60 VanDerWaalsContact C-N 3.34Å; A58-E60 PolarHBondContact O-N 3.21Å; E60-L63 PolarHBondContact O-N 3.23Å; E60-R64 WeakPolarHBondContact O-CG 3.34Å; E60-R64 PolarHBondContact O-N 3.34Å; E60-R64 VanDerWaalsContact O-N 3.13Å; E60-R64 IonicContact OE1-CZ 2.72Å; E60-R64 IonicContact OE1-NE 2.69Å; E60-R64 IonicContact OE1-NH2 3.47Å; E60-R64 PolarHBondContact OE1-NH2 3.21Å
61	A	73.8	Confident	70.9	Confident	56 Å²	56	104.7 Å²	104.7	46%	0.463	54%	0.538	S	S	.	.	H	α-helix	trans	-68	-41.3	173.3	0	0	0	0	0	112.3	S57 A58 L63 R64 A65	S57-A61 WeakPolarHBondContact O-CB 3.29Å; S57-A61 PolarHBondContact O-N 2.82Å; A58-A61 WeakPolarHBondContact O-CB 3.25Å; A58-A61 PolarHBondContact O-N 3.08Å; A61-L63 VanDerWaalsContact C-N 3.33Å; A61-L63 PolarHBondContact O-N 3.25Å; A61-R64 PolarHBondContact O-N 3.44Å; A61-A65 WeakPolarHBondContact O-CB 3.38Å; A61-A65 PolarHBondContact O-N 3.48Å
62	S	74.3	Confident	68.6	Low	79 Å²	79	111.9 Å²	111.9	55%	0.552	56%	0.562	S	S	*	*	H	α-helix	trans	-61.7	-38.5	173.4	-62.1	0	0	0	0	112.4	A58 L59 A65 A66	A58-S62 PolarHBondContact O-N 3.13Å; A58-S62 PolarHBondContact O-OG 2.99Å; L59-S62 PolarHBondContact O-N 3.24Å; S62-A65 PolarHBondContact O-N 3.31Å; S62-A66 PolarHBondContact O-N 2.79Å
63	L	71.3	Confident	66.7	Low	100 Å²	100	114.6 Å²	114.6	52%	0.524	58%	0.576	S	S	.	*	H	α-helix	trans	-61.1	-49.6	173.1	-94.2	160.7	0	0	0	111.8	L59 E60 A61 A65 A66 E67	L59-L63 HydrophobicContact CD2-CD1 3.96Å; L59-L63 PolarHBondContact O-N 3.22Å; E60-L63 PolarHBondContact O-N 3.23Å; A61-L63 VanDerWaalsContact C-N 3.33Å; A61-L63 PolarHBondContact O-N 3.25Å; L63-A65 VanDerWaalsContact C-N 3.27Å; L63-A65 PolarHBondContact O-N 2.8Å; L63-A66 PolarHBondContact O-N 2.93Å; L63-A66 VanDerWaalsContact O-N 3.15Å; L63-E67 WeakPolarHBondContact O-CG 3.28Å; L63-E67 PolarHBondContact O-N 3.32Å
64	R	75	Confident	64.7	Low	154 Å²	154	113.3 Å²	113.3	58%	0.581	58%	0.581	S	S	*	*	H	α-helix	trans	-63	-32.3	176.5	-64.3	-173.6	-143.9	172.7	3.8	112.8	E60 A61 C68	E60-R64 WeakPolarHBondContact O-CG 3.34Å; E60-R64 PolarHBondContact O-N 3.34Å; E60-R64 VanDerWaalsContact O-N 3.13Å; E60-R64 IonicContact OE1-CZ 2.72Å; E60-R64 IonicContact OE1-NE 2.69Å; E60-R64 IonicContact OE1-NH2 3.47Å; E60-R64 PolarHBondContact OE1-NH2 3.21Å; A61-R64 PolarHBondContact O-N 3.44Å; R64-C68 PolarHBondContact O-N 2.84Å
65	A	67.6	Low	62.3	Low	63 Å²	63	113 Å²	113	52%	0.521	59%	0.594	S	S	.	*	H	α-helix	trans	-66.8	-41.9	173.5	0	0	0	0	0	112	A61 S62 L63 C68 S69	A61-A65 WeakPolarHBondContact O-CB 3.38Å; A61-A65 PolarHBondContact O-N 3.48Å; S62-A65 PolarHBondContact O-N 3.31Å; L63-A65 VanDerWaalsContact C-N 3.27Å; L63-A65 PolarHBondContact O-N 2.8Å; A65-C68 WeakPolarHBondContact O-CB 3.47Å; A65-C68 PolarHBondContact O-N 2.9Å; A65-S69 PolarHBondContact O-N 3.44Å
66	A	64.1	Low	60.3	Low	57 Å²	57	109.7 Å²	109.7	47%	0.471	60%	0.596	S	S	.	*	H	α-helix	trans	-65.5	-38.8	174.7	0	0	0	0	0	112.5	S62 L63 C68 S69 R70	S62-A66 PolarHBondContact O-N 2.79Å; L63-A66 PolarHBondContact O-N 2.93Å; L63-A66 VanDerWaalsContact O-N 3.15Å; A66-C68 VanDerWaalsContact C-N 3.29Å; A66-C68 PolarHBondContact O-N 3.06Å; A66-S69 PolarHBondContact O-N 3.04Å; A66-R70 PolarHBondContact O-N 3.06Å; A66-R70 VanDerWaalsContact O-N 3.12Å
67	E	60.8	Low	57.7	Low	119 Å²	119	109.6 Å²	109.6	56%	0.556	61%	0.612	S	S	*	*	H	α-helix	trans	-62.7	-34.5	171.8	-71.9	179.5	161.4	0	0	112.8	L63	L63-E67 WeakPolarHBondContact O-CG 3.28Å; L63-E67 PolarHBondContact O-N 3.32Å
68	C	50.5	Low	55.4	Low	69 Å²	69	111.2 Å²	111.2	47%	0.466	62%	0.623	S	S	.	*	H	α-helix	trans	-69.2	-42.8	174.3	-159.4	0	0	0	0	111.2	R64 A65 A66 R70 K71	R64-C68 PolarHBondContact O-N 2.84Å; A65-C68 WeakPolarHBondContact O-CB 3.47Å; A65-C68 PolarHBondContact O-N 2.9Å; A66-C68 VanDerWaalsContact C-N 3.29Å; A66-C68 PolarHBondContact O-N 3.06Å; C68-R70 VanDerWaalsContact C-N 3.32Å; C68-R70 PolarHBondContact O-N 2.84Å; C68-K71 PolarHBondContact O-N 2.81Å
69	S	45.3	Very low	53.2	Low	81 Å²	81	115 Å²	115	57%	0.566	64%	0.64	S	S	*	*	H	α-helix	trans	-58.2	-40.9	176.4	-174.7	0	0	0	0	112.5	A65 A66 K71 Y72	A65-S69 PolarHBondContact O-N 3.44Å; A66-S69 PolarHBondContact O-N 3.04Å; S69-K71 PolarHBondContact O-N 2.87Å; S69-K71 VanDerWaalsContact O-N 3.09Å; S69-Y72 PolarHBondContact O-N 2.82Å
70	R	46.8	Very low	50.8	Low	214 Å²	214	114.6 Å²	114.6	81%	0.808	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-21.7	174	-85.3	-170.1	176.5	-176.6	0.4	114.6	A66 C68	A66-R70 PolarHBondContact O-N 3.06Å; A66-R70 VanDerWaalsContact O-N 3.12Å; C68-R70 VanDerWaalsContact C-N 3.32Å; C68-R70 PolarHBondContact O-N 2.84Å
71	K	41.5	Very low	48.3	Very low	168 Å²	168	114.7 Å²	114.7	73%	0.73	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-8	-177.5	-67	178.1	-178.6	177.1	0	114.2	C68 S69	C68-K71 PolarHBondContact O-N 2.81Å; S69-K71 PolarHBondContact O-N 2.87Å; S69-K71 VanDerWaalsContact O-N 3.09Å
72	Y	39.4	Very low	46.2	Very low	195 Å²	195	120.7 Å²	120.7	77%	0.765	69%	0.694	S	S	*	*	S	Bend	trans	-96.2	-4.8	178.4	-81.3	-84.3	0	0	0	114.6	S69	S69-Y72 PolarHBondContact O-N 2.82Å
73	L	40.4	Very low	45	Very low	157 Å²	157	121.8 Å²	121.8	82%	0.822	70%	0.7	S	S	*	*	S	Bend	trans	-101.2	32.8	175.2	-69.3	174.6	0	0	0	112.9
74	S	36.4	Very low	42.9	Very low	96 Å²	96	122.8 Å²	122.8	67%	0.671	72%	0.715	S	S	*	*			trans	-149.1	74.1	178.1	-67.3	0	0	0	0	111.6
75	V	32	Very low	40.8	Very low	136 Å²	136	126.8 Å²	126.8	82%	0.824	73%	0.73	S	S	*	*			trans	-82.8	124.9	166	179	0	0	0	0	108.4
76	P	39.5	Very low	39.4	Very low	112 Å²	112	129.3 Å²	129.3	73%	0.727	74%	0.741	S	S	*	*			trans	-82.2	165.1	-178.9	34.3	-36.2	0	0	0	112.5
77	S	29.2	Very low	37.7	Very low	127 Å²	127	134 Å²	134	89%	0.888	76%	0.757	S	S	*	*			trans	-119.5	141.8	165.1	-171.8	0	0	0	0	110.7
78	S	33.8	Very low	36.4	Very low	102 Å²	102	133.3 Å²	133.3	71%	0.713	77%	0.765	S	S	*	*			trans	-161.8	148.4	-167.1	63.4	0	0	0	0	108.5
79	V	32.8	Very low	35.3	Very low	136 Å²	136	137.4 Å²	137.4	82%	0.824	78%	0.781	S	S	*	*			cis	-165.1	167.7	5.2	105.9	0	0	0	0	110.2
80	A	31.4	Very low	34.5	Very low	105 Å²	105	140.9 Å²	140.9	87%	0.868	79%	0.793	S	S	*	*			trans	68.9	149.6	163.6	0	0	0	0	0	120.5
81	G	27.6	Very low	33.7	Very low	82 Å²	82	134.6 Å²	134.6	85%	0.845	78%	0.781	S	S	*	*			trans	156.5	76.9	174.2	0	0	0	0	0	115.4
82	Q	29.5	Very low	33	Very low	182 Å²	182	133.3 Å²	133.3	85%	0.85	78%	0.782	S	S	*	*			trans	-107.5	163.9	164.7	-78.6	-79.7	-1.4	0	0	109
83	P	50.3	Low	32.5	Very low	103 Å²	103	129.8 Å²	129.8	67%	0.669	78%	0.781	S	S	*	*			cis	-127.3	-177.7	-17.2	39.7	-24.8	0	0	0	112.6
84	S	27.2	Very low	32.1	Very low	120 Å²	120	131.3 Å²	131.3	84%	0.839	78%	0.784	S	S	*	*			trans	159.2	153.7	133.1	54.9	0	0	0	0	115.8
85	R	31.1	Very low	31.9	Very low	238 Å²	238	137.8 Å²	137.8	90%	0.898	79%	0.794	S	S	*	*			trans	-99	156.5	156.6	-87.8	178.6	170.7	-177.1	-2.6	106.9
86	P	38.5	Very low	32.8	Very low	116 Å²	116	136.4 Å²	136.4	75%	0.753	79%	0.788	S	S	*	*				-156.3	174.6	53.6	43	-21.3	0	0	0	119.9
87	L	27.3	Very low	33.4	Very low	155 Å²	155	136.6 Å²	136.6	81%	0.812	79%	0.789	S	S	*	*			trans	23.2	109.3	144	-59.4	174.1	0	0	0	122
88	S	34.4	Very low	33.4	Very low	105 Å²	105	136 Å²	136	73%	0.734	79%	0.785	S	S	*	*				21.3	127.3	123.5	61.7	0	0	0	0	122.4
89	I	27.2	Very low	33.3	Very low	156 Å²	156	135.2 Å²	135.2	80%	0.8	79%	0.785	S	S	*	*			trans	-147.2	123	146.7	-97.8	154.8	0	0	0	105
90	L	27.7	Very low	33.4	Very low	154 Å²	154	133.7 Å²	133.7	81%	0.806	78%	0.78	S	S	*	*				67.9	135.4	71.9	-74.4	173.7	0	0	0	112.4
91	S	29.6	Very low	33.5	Very low	81 Å²	81	139.7 Å²	139.7	57%	0.566	78%	0.78	S	S	*	*			cis	-166.5	-178.8	16.4	50.2	0	0	0	0	112.8
92	N	27	Very low	33.6	Very low	141 Å²	141	141 Å²	141	75%	0.754	77%	0.768	S	S	*	*			trans	73.8	145.9	153.4	-61.4	-16.2	0	0	0	118.3
93	T	30.2	Very low	33.7	Very low	121 Å²	121	140.5 Å²	140.5	74%	0.742	76%	0.763	S	S	*	*			cis	-160.9	161.4	-14.8	21.5	0	0	0	0	106.4
94	E	31	Very low	32.7	Very low	189 Å²	189	139.4 Å²	139.4	88%	0.883	76%	0.758	S	S	*	*			cis	-145.3	-156.7	40.5	-75.1	-171.5	92	0	0	113.8
95	R	33.6	Very low	32.8	Very low	233 Å²	233	143.1 Å²	143.1	88%	0.879	76%	0.755	S	S	*	*			trans	-145.5	-175.5	-165.6	-104.9	-172.4	175.4	-176.7	0.3	108.7
96	P	49.7	Very low	32.7	Very low	107 Å²	107	137.8 Å²	137.8	70%	0.695	74%	0.743	S	S	*	*			cis	-129.3	-144.1	-48	43.1	-25	0	0	0	108
97	P	52.9	Low	32.2	Very low	115 Å²	115	138.9 Å²	138.9	75%	0.747	74%	0.742	S	S	*	*			cis	-123.7	-165.8	-28.1	40.8	-23.9	0	0	0	113.4
98	S	28.8	Very low	32.4	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	73%	0.731	S	S	*	*			trans	-46.8	168.4	170.3	-33.9	0	0	0	0	116.2
99	A	31.8	Very low	32.2	Very low	86 Å²	86	137 Å²	137	71%	0.711	73%	0.731	S	S	*	*			cis	-165.5	172.6	22.8	0	0	0	0	0	115.7
100	S	34.6	Very low	32.4	Very low	103 Å²	103	134.2 Å²	134.2	72%	0.72	73%	0.725	S	S	*	*			trans	76.3	112.9	143.8	-56.5	0	0	0	0	121.7
101	R	33.2	Very low	32.7	Very low	232 Å²	232	133.8 Å²	133.8	88%	0.875	73%	0.729	S	S	*	*				162.7	147.6	103.8	-84.2	-170.3	-178.5	-176.4	1.1	111.6
102	N	29.4	Very low	34.2	Very low	110 Å²	110	135.3 Å²	135.3	59%	0.588	74%	0.737	S	S	*	*			cis	-167.9	142.4	-22	-111	11	0	0	0	110.2
103	F	32.2	Very low	34.9	Very low	171 Å²	171	134.5 Å²	134.5	75%	0.75	74%	0.74	S	S	*	*			trans	41.8	153.8	139	-69.2	-112.8	0	0	0	122
104	S	29.6	Very low	35	Very low	79 Å²	79	134 Å²	134	55%	0.552	74%	0.741	S	S	*	*			cis	-171.8	169	-19.1	-90	0	0	0	0	107.2
105	Y	28.5	Very low	35.9	Very low	198 Å²	198	130 Å²	130	78%	0.776	73%	0.732	S	S	*	*				171.2	155.8	73.7	-82.3	-85.1	0	0	0	107.7
106	I	30.9	Very low	35.7	Very low	126 Å²	126	128.9 Å²	128.9	65%	0.646	73%	0.727	S	S	*	*			cis	-169.3	146.2	-21.5	-160.8	164	0	0	0	110.6
107	N	27.3	Very low	34.7	Very low	140 Å²	140	132 Å²	132	75%	0.749	73%	0.733	S	S	*	*			trans	49.3	158.4	150.6	-72.6	17.6	0	0	0	123.5
108	S	30.9	Very low	33.7	Very low	81 Å²	81	129.6 Å²	129.6	57%	0.566	73%	0.728	S	S	*	*			cis	-169.3	155	-12	-105.4	0	0	0	0	115.6
109	N	29.7	Very low	33.8	Very low	139 Å²	139	130.5 Å²	130.5	74%	0.743	72%	0.724	S	S	*	*			trans	56.9	103.2	133.9	-58.1	27.8	0	0	0	125
110	S	31.9	Very low	33.9	Very low	97 Å²	97	136.2 Å²	136.2	68%	0.678	73%	0.727	S	S	*	*				52.4	112.3	114.8	70.9	0	0	0	0	125.5
111	V	35.2	Very low	33.6	Very low	146 Å²	146	138.4 Å²	138.4	89%	0.885	73%	0.726	S	S	*	*			trans	61.9	163.3	143.6	-86.6	0	0	0	0	121.5
112	P	59.3	Low	33.4	Very low	113 Å²	113	135.7 Å²	135.7	73%	0.734	72%	0.721	S	S	*	*			trans	-112.8	176.5	-147.2	47.5	-40.5	0	0	0	115.4
113	P	42.8	Very low	33.3	Very low	124 Å²	124	134.7 Å²	134.7	81%	0.805	72%	0.722	S	S	*	*				-149.5	-166.3	84.9	40	-19.8	0	0	0	115.3
114	S	32.5	Very low	33	Very low	109 Å²	109	132.5 Å²	132.5	76%	0.762	72%	0.724	S	S	*	*			trans	-82.7	177.8	165.4	-61.4	0	0	0	0	111.4
115	P	48.5	Very low	32.9	Very low	107 Å²	107	135.6 Å²	135.6	70%	0.695	73%	0.734	S	S	*	*			cis	-146.2	-178.4	11	45.3	-26.3	0	0	0	118.8
116	R	30.1	Very low	33.1	Very low	209 Å²	209	128.9 Å²	128.9	79%	0.789	73%	0.725	S	S	*	*			trans	70.6	135.4	146.2	-83.5	171.4	179.6	-105.9	-0.8	123.5
117	Q	29.6	Very low	33	Very low	173 Å²	173	129.2 Å²	129.2	81%	0.808	73%	0.727	S	S	*	*			trans	65.4	144.5	149.2	-68.4	172.1	-56	0	0	118.6
118	G	30.2	Very low	33.2	Very low	64 Å²	64	130.4 Å²	130.4	66%	0.66	73%	0.726	S	S	*	*			cis	170.1	-175.5	-5.6	0	0	0	0	0	112.8
119	D	31.6	Very low	33.1	Very low	133 Å²	133	135.7 Å²	135.7	71%	0.711	73%	0.734	S	S	*	*			trans	66.8	147.3	169.3	-75.3	-43.5	0	0	0	118
120	R	33.3	Very low	33	Very low	207 Å²	207	135.4 Å²	135.4	78%	0.781	73%	0.728	S	S	*	*			cis	-151.4	174.6	-7.4	-136.5	161.5	-101.4	-177.7	5.7	105.9
121	Q	29.1	Very low	32.8	Very low	148 Å²	148	134.3 Å²	134.3	69%	0.692	72%	0.72	S	S	*	*			cis	-134.5	-156.2	17.8	-60.4	178.9	-114.9	0	0	109.3
122	F	28.3	Very low	32.4	Very low	176 Å²	176	137.3 Å²	137.3	77%	0.772	72%	0.717	S	S	*	*			cis	-150	-99.7	5.3	-148	-20.6	0	0	0	114.8
123	S	27.1	Very low	31	Very low	88 Å²	88	136.9 Å²	136.9	62%	0.615	72%	0.716	S	S	*	*			trans	-144.6	145.6	-159.9	-64.5	0	0	0	0	111
124	T	27.6	Very low	30.3	Very low	126 Å²	126	140.6 Å²	140.6	77%	0.773	71%	0.714	S	S	*	*			cis	-158.6	175.5	-3.4	11.6	0	0	0	0	107.4
125	N	27.6	Very low	30.2	Very low	143 Å²	143	141.7 Å²	141.7	77%	0.765	71%	0.707	S	S	*	*			cis	-133.5	-147.8	8.7	-143	-7.4	0	0	0	109
126	G	31.2	Very low	29.2	Very low	58 Å²	58	144.2 Å²	144.2	60%	0.598	71%	0.71	S	S	*	*			cis	104.1	128.6	5.1	0	0	0	0	0	113.4
127	L	30.1	Very low	29.1	Very low	132 Å²	132	138.5 Å²	138.5	69%	0.691	70%	0.702	S	S	*	*			cis	-146.4	144.4	0.9	-77.6	175.3	0	0	0	113.4
128	F	31.6	Very low	29	Very low	166 Å²	166	138.7 Å²	138.7	73%	0.728	70%	0.703	S	S	*	*			trans	62.4	145.8	146.8	-62.2	-27.7	0	0	0	121.5
129	R	28.5	Very low	28.8	Very low	191 Å²	191	142 Å²	142	72%	0.721	71%	0.705	S	S	*	*			cis	-163.9	151.5	-14.3	-125.2	174.9	174.8	-150.9	0.1	113.8
130	H	27.9	Very low	28.7	Very low	133 Å²	133	140 Å²	140	62%	0.616	70%	0.702	S	S	*	*			trans	59.3	104.9	150.4	-70.5	-48.4	0	0	0	124.9
131	S	25.9	Very low	28.5	Very low	75 Å²	75	136.8 Å²	136.8	52%	0.524	70%	0.699	S	S	.	*				36.3	142.3	110.1	56.4	0	0	0	0	121.4
132	Y	27.2	Very low	28.6	Very low	209 Å²	209	136.5 Å²	136.5	82%	0.82	70%	0.702	S	S	*	*				-157.1	142.5	51.4	-88.4	-88.6	0	0	0	117.3
133	S	29.5	Very low	28.7	Very low	103 Å²	103	134.7 Å²	134.7	72%	0.72	70%	0.699	S	S	*	*			trans	48.6	131.5	133.2	-124.8	0	0	0	0	125.4
134	R	28.8	Very low	28.9	Very low	202 Å²	202	134.3 Å²	134.3	76%	0.762	70%	0.697	S	S	*	*				116.3	124.3	115.2	-169.7	169.2	-90.5	-118.5	-0.4	120.9
135	H	30.1	Very low	29	Very low	133 Å²	133	135.7 Å²	135.7	62%	0.616	70%	0.7	S	S	*	*			trans	55.6	122.1	151.1	-72.1	-45.9	0	0	0	125.1
136	Q	28	Very low	29.5	Very low	160 Å²	160	133 Å²	133	75%	0.748	70%	0.697	S	S	*	*				77	128	108.9	-153.3	177.8	-5.4	0	0	122.6
137	S	27.4	Very low	30.8	Very low	89 Å²	89	136 Å²	136	62%	0.622	71%	0.706	S	S	*	*			trans	35.3	125.7	152.8	71.1	0	0	0	0	124.2
138	Q	28	Very low	30.9	Very low	176 Å²	176	136.7 Å²	136.7	82%	0.822	71%	0.71	S	S	*	*			trans	72.2	159.7	132.1	-84.1	-178.9	-30.4	0	0	122
139	D	26.9	Very low	31	Very low	134 Å²	134	131.9 Å²	131.9	72%	0.717	71%	0.708	S	S	*	*			trans	73.6	106.5	156.9	-70	8.3	0	0	0	122.6
140	S	28.7	Very low	31.3	Very low	90 Å²	90	128.9 Å²	128.9	63%	0.629	71%	0.706	S	S	*	*				86.5	114.8	112.7	-65.7	0	0	0	0	122.1
141	L	30.1	Very low	31.6	Very low	140 Å²	140	126.9 Å²	126.9	73%	0.733	71%	0.707	S	S	*	*				69.5	120	125.8	-59.8	176.1	0	0	0	121
142	L	31.1	Very low	32.2	Very low	143 Å²	143	130.4 Å²	130.4	75%	0.749	72%	0.72	S	S	*	*				58.8	155.2	125.7	-46.7	-176.8	0	0	0	119.3
143	L	28.8	Very low	32.3	Very low	137 Å²	137	128 Å²	128	72%	0.717	72%	0.72	S	S	*	*			cis	-155.6	161.1	-3.2	-148.8	67.6	0	0	0	110.9
144	S	33	Very low	32.1	Very low	80 Å²	80	128.6 Å²	128.6	56%	0.559	72%	0.724	S	S	*	*			trans	32.9	156	140.8	68.4	0	0	0	0	124.5
145	N	28.5	Very low	31.9	Very low	156 Å²	156	123.8 Å²	123.8	83%	0.834	72%	0.721	S	S	*	*				-161.3	150.1	102	-95.2	-3.8	0	0	0	114.7
146	A	37.8	Very low	31.6	Very low	86 Å²	86	128.7 Å²	128.7	71%	0.711	74%	0.736	S	S	*	*			trans	-103.8	-168.4	165.4	0	0	0	0	0	109.6
147	P	58.4	Low	31.4	Very low	122 Å²	122	124.4 Å²	124.4	79%	0.792	74%	0.735	S	S	*	*				-142.4	-178.3	102.2	43.5	-31.6	0	0	0	111.9
148	D	32.6	Very low	31.5	Very low	145 Å²	145	128.3 Å²	128.3	78%	0.775	74%	0.743	S	S	*	*			cis	-134.4	-147.2	-2.7	-153.4	27.4	0	0	0	108
149	G	34.3	Very low	32.5	Very low	66 Å²	66	125.2 Å²	125.2	68%	0.68	74%	0.738	S	S	*	*			cis	151.1	158.6	0.6	0	0	0	0	0	112.3
150	N	33.4	Very low	33.2	Very low	127 Å²	127	124 Å²	124	68%	0.679	74%	0.735	S	S	*	*			cis	-157.1	138.8	-24.3	-174.7	-2.4	0	0	0	108.7
151	S	36.1	Very low	34.7	Very low	92 Å²	92	124.6 Å²	124.6	64%	0.643	74%	0.737	S	S	*	*			trans	64.4	156.2	162.9	-69.5	0	0	0	0	119.9
152	L	37	Very low	35	Very low	149 Å²	149	129.3 Å²	129.3	78%	0.78	75%	0.745	S	S	*	*			cis	-167.5	159	-38.5	-116.3	172.4	0	0	0	109.6
153	L	29.9	Very low	35.1	Very low	159 Å²	159	127.8 Å²	127.8	83%	0.832	75%	0.746	S	S	*	*			trans	74.1	128.2	160.3	-70	159.4	0	0	0	122.8
154	S	26	Very low	36.3	Very low	115 Å²	115	126.3 Å²	126.3	80%	0.804	75%	0.745	S	S	*	*			trans	103.7	147.4	140.4	-146.4	0	0	0	0	121.6
155	S	23.4	Very low	36.3	Very low	100 Å²	100	133.4 Å²	133.4	70%	0.699	76%	0.76	S	S	*	*			trans	58.3	140.1	-179.5	-72	0	0	0	0	118
156	Y	23.9	Very low	36.5	Very low	237 Å²	237	131.9 Å²	131.9	93%	0.929	76%	0.756	S	S	*	*			cis	69.9	151.9	37	-69.1	-96.8	0	0	0	114.4
157	G	23.1	Very low	36.3	Very low	70 Å²	70	136.9 Å²	136.9	72%	0.722	76%	0.761	S	S	*	*			trans	-122.7	-143.5	-169.1	0	0	0	0	0	114.7
158	E	30.6	Very low	35.2	Very low	171 Å²	171	136.6 Å²	136.6	80%	0.799	76%	0.763	S	S	*	*			trans	68.7	163.3	-173.9	-83.1	-151.9	140	0	0	116.4	V160	E158-V160 HydrophobicContact CG-CG2 4.43Å; E158-V160 WeakPolarHBondContact OE1-CG2 3.16Å
159	P	48.5	Very low	35.1	Very low	111 Å²	111	133.4 Å²	133.4	72%	0.721	76%	0.764	S	S	*	*			cis	-124.7	136.7	2.9	13.5	11.6	0	0	0	117.2
160	V	42.6	Very low	35.1	Very low	107 Å²	107	135.3 Å²	135.3	65%	0.648	77%	0.773	S	S	*	*				57.7	150	117.1	179.6	0	0	0	0	120.1	E158	E158-V160 HydrophobicContact CG-CG2 4.43Å; E158-V160 WeakPolarHBondContact OE1-CG2 3.16Å
161	P	59.2	Low	34.9	Very low	103 Å²	103	133.7 Å²	133.7	67%	0.669	78%	0.777	S	S	*	*			cis	-117	172.6	-8.6	33.4	-14.6	0	0	0	112.9
162	R	35.7	Very low	34.6	Very low	239 Å²	239	135.2 Å²	135.2	90%	0.902	79%	0.788	S	S	*	*			cis	-154.7	161	46.6	-77.3	179.9	171.5	163.2	0.4	113.9
163	S	34.5	Very low	34.5	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	79%	0.792	S	S	*	*			trans	-85.8	-179.4	174	-133.1	0	0	0	0	111.7
164	P	53.7	Low	35.1	Very low	106 Å²	106	134 Å²	134	69%	0.688	79%	0.785	S	S	*	*			cis	-144.4	162.3	10.3	40.3	-19.9	0	0	0	120.6
165	R	32.7	Very low	35.1	Very low	230 Å²	230	133.9 Å²	133.9	87%	0.868	79%	0.785	S	S	*	*			trans	63	122.8	145.3	-74.8	178.6	171.5	175.9	-3.1	120.5
166	V	33.8	Very low	35.6	Very low	124 Å²	124	134.6 Å²	134.6	75%	0.752	79%	0.789	S	S	*	*				92.8	130.4	54.4	157.8	0	0	0	0	111.7
167	K	32.9	Very low	36.7	Very low	190 Å²	190	128.7 Å²	128.7	83%	0.826	78%	0.78	S	S	*	*			cis	-154.7	176.8	20.5	-139.2	164.6	-165.8	-179.1	0	114.1
168	S	35.8	Very low	37	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	79%	0.787	S	S	*	*			trans	-31.4	172	170.2	-44.9	0	0	0	0	119.8
169	G	29.8	Very low	36.9	Very low	78 Å²	78	136.3 Å²	136.3	80%	0.804	79%	0.79	S	S	*	*			cis	167.3	-179.6	4.6	0	0	0	0	0	111.2
170	A	35.2	Very low	36	Very low	106 Å²	106	135.9 Å²	135.9	88%	0.876	79%	0.789	S	S	*	*			trans	-118.1	149.3	-169.4	0	0	0	0	0	115.1
171	A	29.2	Very low	35.4	Very low	93 Å²	93	140.3 Å²	140.3	77%	0.769	79%	0.794	S	S	*	*			trans	178.9	148.9	145.4	0	0	0	0	0	114
172	S	28.5	Very low	34.1	Very low	124 Å²	124	144.4 Å²	144.4	87%	0.867	80%	0.796	S	S	*	*			trans	71	147.5	148.6	-60.5	0	0	0	0	124
173	M	36.1	Very low	33.7	Very low	175 Å²	175	139.9 Å²	139.9	86%	0.862	79%	0.789	S	S	*	*			trans	-64.8	164.9	164.7	-79.8	-70.8	151.1	0	0	112.1
174	P	40.9	Very low	33.3	Very low	107 Å²	107	139.2 Å²	139.2	70%	0.695	78%	0.784	S	S	*	*			cis	-154.8	-171.3	43.5	45.4	-23.7	0	0	0	119.2
175	S	26.7	Very low	32.2	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	79%	0.787	S	S	*	*			trans	70.9	124.3	148.7	-60.6	0	0	0	0	122.6
176	S	34.5	Very low	32	Very low	114 Å²	114	136.5 Å²	136.5	80%	0.797	78%	0.784	S	S	*	*			trans	-57.8	165.7	149.5	-60.7	0	0	0	0	111.8
177	P	45.8	Very low	31.7	Very low	114 Å²	114	134.3 Å²	134.3	74%	0.74	78%	0.775	S	S	*	*			cis	-150.7	-160.3	29.3	42.4	-19.3	0	0	0	117.1
178	R	30.2	Very low	31.5	Very low	228 Å²	228	134.6 Å²	134.6	86%	0.86	78%	0.776	S	S	*	*			trans	80.4	104.9	158.5	-77.7	178.7	169.1	-176	-2.7	121
179	M	28.9	Very low	31.4	Very low	173 Å²	173	133.5 Å²	133.5	85%	0.852	77%	0.774	S	S	*	*				45.8	144.2	110.3	-72.8	-68.7	110.8	0	0	123
180	S	28.8	Very low	31.4	Very low	102 Å²	102	137 Å²	137	71%	0.713	78%	0.779	S	S	*	*			trans	92.5	95.6	153	-84.2	0	0	0	0	121.9
181	R	30.7	Very low	31	Very low	200 Å²	200	135.4 Å²	135.4	76%	0.755	77%	0.773	S	S	*	*				64.6	113.3	98	-176.2	-175.9	-84.3	-141.7	-0.6	119.3
182	R	32.1	Very low	31.2	Very low	189 Å²	189	140 Å²	140	71%	0.713	78%	0.779	S	S	*	*			trans	90.7	124	141.1	-79.9	172.7	-168.6	-133.3	-0.4	122.2
183	L	27.2	Very low	31.3	Very low	144 Å²	144	138 Å²	138	75%	0.754	77%	0.765	S	S	*	*			trans	72.6	156	133.2	-61	170.7	0	0	0	117.4
184	S	25.5	Very low	30.9	Very low	96 Å²	96	141 Å²	141	67%	0.671	77%	0.766	S	S	*	*			cis	-159.1	173.7	5.1	-139.1	0	0	0	0	114.2
185	S	30.7	Very low	30.3	Very low	106 Å²	106	144.2 Å²	144.2	74%	0.741	77%	0.772	S	S	*	*			trans	72.8	151.1	159.3	85	0	0	0	0	117
186	Q	29.3	Very low	30.3	Very low	173 Å²	173	149.5 Å²	149.5	81%	0.808	78%	0.775	S	S	*	*			cis	-144.9	172.9	8.8	-93.1	-152.3	65.7	0	0	109.8
187	S	27.8	Very low	30.1	Very low	79 Å²	79	151.5 Å²	151.5	55%	0.552	77%	0.769	S	S	*	*			cis	-172.4	-171.4	-27.4	65.7	0	0	0	0	109.3
188	K	28.8	Very low	29.3	Very low	195 Å²	195	155 Å²	155	85%	0.848	77%	0.769	S	S	*	*			trans	70.3	110.4	-179.3	-56.8	-177.6	178.6	-179.2	0	115.2
189	A	32.1	Very low	29.1	Very low	95 Å²	95	148.7 Å²	148.7	79%	0.785	76%	0.759	S	S	*	*				84.6	134.8	50	0	0	0	0	0	113.3
190	V	30.1	Very low	29.1	Very low	151 Å²	151	147.2 Å²	147.2	92%	0.915	76%	0.761	S	S	*	*			cis	-159.3	156.7	0.8	116.9	0	0	0	0	110.2
191	G	27.9	Very low	28.9	Very low	72 Å²	72	145.8 Å²	145.8	74%	0.742	76%	0.762	S	S	*	*			trans	155.8	142.7	166.5	0	0	0	0	0	116.6
192	E	32.1	Very low	28.7	Very low	191 Å²	191	141.4 Å²	141.4	89%	0.893	76%	0.762	S	S	*	*			trans	-109.1	-177.5	-179.2	-50	-172.3	103.9	0	0	112.3
193	S	30.8	Very low	28.6	Very low	82 Å²	82	141 Å²	141	57%	0.573	77%	0.773	S	S	*	*			cis	-165.5	164.6	14.1	-149.5	0	0	0	0	115
194	R	28.6	Very low	28.8	Very low	237 Å²	237	140.5 Å²	140.5	89%	0.894	77%	0.771	S	S	*	*			trans	79.5	171.4	151.5	-78.1	166.2	-171.6	-116.9	-3	122.7
195	Q	27.2	Very low	28.8	Very low	175 Å²	175	143 Å²	143	82%	0.818	78%	0.777	S	S	*	*			trans	-133	158.4	-152.7	-39.2	154.6	-54.8	0	0	112.7
196	R	28.3	Very low	28.9	Very low	224 Å²	224	146.4 Å²	146.4	85%	0.845	79%	0.786	S	S	*	*				174.4	122.4	117.9	-98.3	-177.8	179.7	-155.6	2.4	116.5
197	K	28.8	Very low	28.8	Very low	155 Å²	155	141.3 Å²	141.3	67%	0.674	78%	0.779	S	S	*	*			trans	26.6	146.1	132.8	-48.2	-170.5	176.3	-171.4	0	124.7
198	Y	28.8	Very low	28.8	Very low	189 Å²	189	145.1 Å²	145.1	74%	0.741	79%	0.79	S	S	*	*			trans	96.9	107	143.2	-63.6	-50.8	0	0	0	122.4
199	S	27.1	Very low	28.7	Very low	94 Å²	94	144 Å²	144	66%	0.657	79%	0.788	S	S	*	*				65.8	114.6	115.8	-56.5	0	0	0	0	124.3
200	T	27.8	Very low	28.6	Very low	143 Å²	143	144.4 Å²	144.4	88%	0.877	79%	0.785	S	S	*	*				54.5	121.6	126.6	64.7	0	0	0	0	122.4
201	G	26.5	Very low	28.8	Very low	72 Å²	72	148.5 Å²	148.5	74%	0.742	78%	0.784	S	S	*	*			trans	169.4	96.1	159.6	0	0	0	0	0	109
202	S	26.2	Very low	28.7	Very low	108 Å²	108	150.1 Å²	150.1	76%	0.755	78%	0.784	S	S	*	*				73.1	101.2	63	-165.6	0	0	0	0	113.7
203	L	30	Very low	29.2	Very low	179 Å²	179	149.2 Å²	149.2	94%	0.937	78%	0.784	S	S	*	*			trans	-148.1	150.9	154.7	-93.2	-178.7	0	0	0	109
204	N	29.6	Very low	29.3	Very low	134 Å²	134	150.6 Å²	150.6	72%	0.717	79%	0.791	S	S	*	*			trans	-118.3	172.1	-159.5	-71.2	-22.1	0	0	0	114.6
205	N	26.8	Very low	29.9	Very low	150 Å²	150	150.4 Å²	150.4	80%	0.802	79%	0.79	S	S	*	*			trans	72.2	116.6	157.8	-71.6	12.2	0	0	0	120.3
206	L	32.5	Very low	29.7	Very low	177 Å²	177	150.2 Å²	150.2	93%	0.927	79%	0.794	S	S	*	*				-168.6	129.1	107.7	-102.1	168.5	0	0	0	111.7
207	G	27.9	Very low	29.5	Very low	65 Å²	65	147.3 Å²	147.3	67%	0.67	79%	0.79	S	S	*	*			trans	71.1	130.6	174.6	0	0	0	0	0	115.4
208	M	26.8	Very low	29.4	Very low	159 Å²	159	147.4 Å²	147.4	78%	0.783	80%	0.798	S	S	*	*			cis	52.2	112.2	21.5	-54.3	-168.6	77.3	0	0	112.6
209	H	27.9	Very low	29.4	Very low	172 Å²	172	143.1 Å²	143.1	80%	0.796	80%	0.801	S	S	*	*			cis	-150.8	161.6	49.4	-82.8	-86.8	0	0	0	115.1
210	S	29.8	Very low	29.6	Very low	103 Å²	103	143 Å²	143	72%	0.72	81%	0.807	S	S	*	*			trans	-63.2	161.5	174.7	-32.6	0	0	0	0	114.3
211	R	33	Very low	29.6	Very low	237 Å²	237	143.5 Å²	143.5	89%	0.894	80%	0.804	S	S	*	*			trans	-153.8	91.6	149.3	-106.3	143.4	-159.3	-76	-1.9	112.6
212	S	26.7	Very low	30.8	Very low	106 Å²	106	145.5 Å²	145.5	74%	0.741	80%	0.804	S	S	*	*			trans	-61.8	172.6	150	38.5	0	0	0	0	111.1
213	L	42.6	Very low	32.3	Very low	173 Å²	173	145.6 Å²	145.6	91%	0.906	80%	0.802	S	S	*	*			trans	-57.3	148.3	-175.9	-58.9	172.1	0	0	0	113.4
214	P	31.6	Very low	32.1	Very low	110 Å²	110	143.1 Å²	143.1	71%	0.714	79%	0.794	S	S	*	*			trans	-122.2	140.5	140.1	34	-26.3	0	0	0	112.8
215	R	41.2	Very low	32.1	Very low	233 Å²	233	144 Å²	144	88%	0.879	80%	0.798	S	S	*	*			trans	-54.5	159.2	163	-63.3	167.7	162.4	124.1	-8.1	110.9
216	L	24.3	Very low	32	Very low	171 Å²	171	142.6 Å²	142.6	90%	0.895	80%	0.799	S	S	*	*			trans	-145	144.5	132.6	-86.3	-169	0	0	0	110.9
217	H	24.5	Very low	31.6	Very low	163 Å²	163	142 Å²	142	76%	0.755	80%	0.797	S	S	*	*			trans	-99.6	175.1	156.5	60.4	-89.6	0	0	0	108.5
218	N	26.3	Very low	32.2	Very low	157 Å²	157	144.1 Å²	144.1	84%	0.84	80%	0.798	S	S	*	*			trans	-65.9	151.1	-176.5	-70.7	-13.3	0	0	0	113.6
219	A	27.8	Very low	32.2	Very low	99 Å²	99	141.5 Å²	141.5	82%	0.818	80%	0.796	S	S	*	*			trans	-115.3	164.8	154	0	0	0	0	0	109.1
220	A	31.3	Very low	32.2	Very low	93 Å²	93	142.7 Å²	142.7	77%	0.769	79%	0.793	S	S	*	*			trans	-146.4	104.1	170.8	0	0	0	0	0	110.3
221	D	28.3	Very low	32.1	Very low	153 Å²	153	145.1 Å²	145.1	82%	0.818	79%	0.793	S	S	*	*				41	155.8	115.6	-79.3	34.3	0	0	0	121.8
222	P	51.1	Low	31.8	Very low	114 Å²	114	139.1 Å²	139.1	74%	0.74	79%	0.787	S	S	*	*			cis	-133.7	-134.2	-6.2	28.6	-1.4	0	0	0	113.3
223	P	59.3	Low	31.9	Very low	110 Å²	110	140.6 Å²	140.6	71%	0.714	79%	0.791	S	S	*	*				-130	-171.8	-98.2	43	-26.3	0	0	0	115.3
224	V	26	Very low	31.2	Very low	127 Å²	127	136 Å²	136	77%	0.77	79%	0.785	S	S	*	*				-177.8	122.3	122.8	147.3	0	0	0	0	114.1
225	L	28.7	Very low	31.1	Very low	152 Å²	152	135.4 Å²	135.4	80%	0.796	78%	0.784	S	S	*	*			trans	23.5	129.7	148.3	-46.8	175.5	0	0	0	123
226	S	24.6	Very low	30.5	Very low	120 Å²	120	131.7 Å²	131.7	84%	0.839	78%	0.777	S	S	*	*				154.7	162	96.8	57.5	0	0	0	0	116.2
227	L	24.5	Very low	30.7	Very low	166 Å²	166	134.2 Å²	134.2	87%	0.869	77%	0.774	S	S	*	*			trans	-105.7	-173.1	179.9	-76.2	165.1	0	0	0	109.2
228	P	40.2	Very low	31	Very low	108 Å²	108	132 Å²	132	70%	0.701	77%	0.772	S	S	*	*			cis	-150	-179	14.1	45.6	-25.2	0	0	0	119.6
229	S	25.8	Very low	31.1	Very low	105 Å²	105	130.6 Å²	130.6	73%	0.734	77%	0.769	S	S	*	*			trans	70.6	158.5	142.2	-74.6	0	0	0	0	122.6
230	R	28.4	Very low	31.3	Very low	197 Å²	197	131.7 Å²	131.7	74%	0.743	77%	0.765	S	S	*	*			cis	-178.4	173.5	-25.9	-165.2	168.6	-167.7	-133.4	6	109.3
231	H	28.3	Very low	31.2	Very low	153 Å²	153	132.2 Å²	132.2	71%	0.708	76%	0.763	S	S	*	*			trans	74.6	139.4	170	-34.2	-81.1	0	0	0	115.9
232	S	26.3	Very low	31.4	Very low	112 Å²	112	130.1 Å²	130.1	78%	0.783	77%	0.767	S	S	*	*			cis	92.8	127.6	19	-156.6	0	0	0	0	113.6
233	V	29.1	Very low	30.4	Very low	136 Å²	136	128.5 Å²	128.5	82%	0.824	77%	0.771	S	S	*	*			cis	-143.1	177.1	9.1	-65.8	0	0	0	0	111.4
234	G	26.9	Very low	29.1	Very low	76 Å²	76	131.7 Å²	131.7	78%	0.784	78%	0.776	S	S	*	*			cis	126.6	75	-20.9	0	0	0	0	0	120.3
235	S	29.5	Very low	29.5	Very low	98 Å²	98	135.9 Å²	135.9	69%	0.685	78%	0.778	S	S	*	*			trans	-165.8	161.1	165.3	-159.1	0	0	0	0	117.5
236	H	29.1	Very low	29.5	Very low	156 Å²	156	140.1 Å²	140.1	72%	0.722	78%	0.784	S	S	*	*			trans	67.8	126.1	166.2	-64.1	-46.4	0	0	0	119.7
237	R	29.9	Very low	29.7	Very low	223 Å²	223	139.2 Å²	139.2	84%	0.842	78%	0.777	S	S	*	*				83	136.9	59.7	-88.1	-164	-179.6	-172.4	-1.3	112.2
238	V	28.8	Very low	29.9	Very low	118 Å²	118	138.9 Å²	138.9	72%	0.715	78%	0.776	S	S	*	*			cis	-166.4	142.4	5.7	84	0	0	0	0	114.3
239	V	29.8	Very low	29.4	Very low	126 Å²	126	139.2 Å²	139.2	76%	0.764	78%	0.781	S	S	*	*			trans	74.3	124.8	135.2	143.1	0	0	0	0	126.3
240	V	30.5	Very low	29.6	Very low	123 Å²	123	138.7 Å²	138.7	75%	0.745	78%	0.777	S	S	*	*			trans	89.4	112	136.1	163.7	0	0	0	0	125.9
241	S	30.3	Very low	29.7	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	78%	0.78	S	S	*	*				56.6	126.6	129.5	-50.8	0	0	0	0	128.4
242	A	33	Very low	29.7	Very low	110 Å²	110	136.4 Å²	136.4	91%	0.909	78%	0.779	S	S	*	*				68.5	148.7	128.3	0	0	0	0	0	122.8
243	G	29.1	Very low	30.1	Very low	80 Å²	80	139.8 Å²	139.8	83%	0.825	78%	0.783	S	S	*	*			trans	175.4	-11.7	173.1	0	0	0	0	0	125.5
244	Q	33.2	Very low	31.2	Very low	176 Å²	176	138.7 Å²	138.7	82%	0.822	78%	0.778	S	S	*	*			trans	39.3	127.9	163.1	-105.8	-177.2	-1.4	0	0	124.6
245	R	32.6	Very low	33	Very low	215 Å²	215	140.1 Å²	140.1	81%	0.811	77%	0.774	S	S	*	*			trans	99.3	151.6	145.6	-64.8	179.9	-179.1	-102.9	5.6	122.8
246	R	30.4	Very low	32.9	Very low	241 Å²	241	142.3 Å²	142.3	91%	0.909	78%	0.778	S	S	*	*			trans	82.9	147.6	169.5	-56.5	179.6	-176.5	157.3	0.4	116.9
247	S	28	Very low	33	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	78%	0.778	S	S	*	*			cis	-173.5	132.3	-27.3	49.2	0	0	0	0	114.5
248	L	28.7	Very low	33	Very low	160 Å²	160	136.3 Å²	136.3	84%	0.838	78%	0.777	S	S	*	*			trans	51.7	129.4	146.3	-57.1	176.7	0	0	0	125.2
249	S	29.1	Very low	33.1	Very low	115 Å²	115	136.8 Å²	136.8	80%	0.804	78%	0.78	S	S	*	*			trans	60.7	159.1	137.4	66.9	0	0	0	0	121.1
250	S	31.6	Very low	33.9	Very low	94 Å²	94	136.3 Å²	136.3	66%	0.657	78%	0.779	S	S	*	*			cis	-161.1	-169.2	-3.7	-135.8	0	0	0	0	110.6	E252	S250-E252 WeakPolarHBondContact CB-OE1 2.96Å; S250-E252 PolarHBondContact OG-OE1 2.81Å
251	L	29.4	Very low	33.7	Very low	155 Å²	155	134.7 Å²	134.7	81%	0.812	78%	0.779	S	S	*	*			trans	103.6	134.5	145.5	-137.7	73.7	0	0	0	118.8
252	E	29.1	Very low	33.5	Very low	147 Å²	147	135.9 Å²	135.9	69%	0.687	79%	0.787	S	S	*	*				-168.1	-164.3	-56	-110.3	59.4	103.1	0	0	108.3	S250	S250-E252 WeakPolarHBondContact CB-OE1 2.96Å; S250-E252 PolarHBondContact OG-OE1 2.81Å
253	Q	34.2	Very low	33.2	Very low	182 Å²	182	139.1 Å²	139.1	85%	0.85	79%	0.785	S	S	*	*			trans	-116.4	170.9	-178.7	-158.1	178.4	16	0	0	112.7
254	P	52.6	Low	34.3	Very low	113 Å²	113	140.2 Å²	140.2	73%	0.734	78%	0.778	S	S	*	*				-156.6	-173.4	125.4	39.5	-19.8	0	0	0	115.5
255	P	64.5	Low	34	Very low	107 Å²	107	137.3 Å²	137.3	70%	0.695	78%	0.777	S	S	*	*				-138.4	-165.2	-55	43.2	-26.4	0	0	0	115.2
256	D	27.7	Very low	33.7	Very low	144 Å²	144	133 Å²	133	77%	0.77	78%	0.775	S	S	*	*			trans	89.7	138	158	-70.8	3.5	0	0	0	121.6
257	V	31	Very low	33.8	Very low	120 Å²	120	127.1 Å²	127.1	73%	0.727	77%	0.771	S	S	*	*			cis	-164.4	151	-26.1	108.7	0	0	0	0	112.1
258	T	29.8	Very low	33.7	Very low	132 Å²	132	134.7 Å²	134.7	81%	0.81	78%	0.784	S	S	*	*			trans	82.7	167.6	172.8	-13.5	0	0	0	0	120.3
259	V	30	Very low	33.8	Very low	128 Å²	128	135.1 Å²	135.1	78%	0.776	78%	0.775	S	S	*	*			trans	-150.3	159.5	-158.7	152.5	0	0	0	0	106.9
260	P	46.6	Very low	33.8	Very low	116 Å²	116	135 Å²	135	75%	0.753	77%	0.773	S	S	*	*			cis	-133.8	178.6	15.6	33.3	-11.4	0	0	0	117.8
261	A	26.6	Very low	33.7	Very low	89 Å²	89	135.1 Å²	135.1	74%	0.736	78%	0.775	S	S	*	*				131.1	136.6	123.4	0	0	0	0	0	118.6
262	S	27.3	Very low	33.6	Very low	128 Å²	128	135.9 Å²	135.9	90%	0.895	78%	0.778	S	S	*	*			trans	75.5	139.2	156.6	-61.7	0	0	0	0	121.7
263	M	24.9	Very low	33.5	Very low	178 Å²	178	133.1 Å²	133.1	88%	0.877	78%	0.781	S	S	*	*			trans	-111.1	-179.3	-179.8	-79.8	-93.5	-75.9	0	0	109.7
264	P	53.4	Low	33.1	Very low	103 Å²	103	129.9 Å²	129.9	67%	0.669	78%	0.779	S	S	*	*			cis	-135.1	176.5	-40.8	36.8	-21.2	0	0	0	112.9
265	S	25.7	Very low	31.9	Very low	115 Å²	115	132.4 Å²	132.4	80%	0.804	79%	0.785	S	S	*	*			trans	-168.2	131.3	146.1	18.8	0	0	0	0	116.9
266	T	26.6	Very low	30.1	Very low	124 Å²	124	132.2 Å²	132.2	76%	0.761	79%	0.786	S	S	*	*			trans	19.6	120	147.2	57.9	0	0	0	0	123
267	S	32.4	Very low	30.1	Very low	119 Å²	119	130.3 Å²	130.3	83%	0.832	78%	0.784	S	S	*	*				37.7	126.6	127.3	-52.3	0	0	0	0	121.9
268	R	27.2	Very low	30	Very low	259 Å²	259	133.2 Å²	133.2	98%	0.977	80%	0.795	S	S	*	*			trans	-130.2	152.2	152.9	-75.9	-166.8	178.8	-126.7	-0.9	112.9
269	R	30.7	Very low	29.8	Very low	170 Å²	170	129.8 Å²	129.8	64%	0.642	79%	0.786	S	S	*	*			trans	-116.4	133.4	-177	-178.6	-164.5	-163.6	-158.3	12.5	109.3	N619	R269-N619 PolarHBondContact NH2-OD1 3.04Å
270	S	27.8	Very low	29.8	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	78%	0.784	S	S	*	*			trans	-149.5	135	154.6	57.6	0	0	0	0	107.7
271	S	30.2	Very low	28.7	Very low	98 Å²	98	131.9 Å²	131.9	69%	0.685	78%	0.78	S	S	*	*			cis	82.4	70.2	10.9	-158.8	0	0	0	0	116.7
272	L	27.9	Very low	28.8	Very low	170 Å²	170	134 Å²	134	89%	0.89	78%	0.778	S	S	*	*			trans	-144.8	153.4	155.3	-69.2	179.6	0	0	0	107.4
273	A	26	Very low	28.8	Very low	90 Å²	90	135.3 Å²	135.3	74%	0.744	78%	0.775	S	S	*	*			cis	-161.6	174.4	-21.7	0	0	0	0	0	109.4
274	S	26.9	Very low	28.9	Very low	114 Å²	114	129 Å²	129	80%	0.797	76%	0.756	S	S	*	*			trans	-80.5	-151.7	-179.3	-42.4	0	0	0	0	113.5
275	L	27.7	Very low	27.7	Very low	165 Å²	165	131.2 Å²	131.2	86%	0.864	77%	0.767	S	S	*	*			trans	95.1	132.9	172.1	-53.5	-177.5	0	0	0	114.3
276	S	26.8	Very low	27.6	Very low	103 Å²	103	129 Å²	129	72%	0.72	76%	0.762	S	S	*	*			cis	-142.5	158.9	-3	-75.2	0	0	0	0	108.5
277	S	26.4	Very low	27.7	Very low	105 Å²	105	131.4 Å²	131.4	73%	0.734	77%	0.77	S	S	*	*			cis	77.2	103.8	34.4	-161.7	0	0	0	0	116.1
278	L	29	Very low	27.3	Very low	180 Å²	180	131.8 Å²	131.8	94%	0.942	76%	0.762	S	S	*	*			trans	-156.5	141	156.3	-70.8	-178.7	0	0	0	107.2
279	G	25.6	Very low	27.4	Very low	61 Å²	61	126.8 Å²	126.8	63%	0.629	75%	0.754	S	S	*	*			cis	150.1	99.8	-14.9	0	0	0	0	0	114.4
280	I	29.5	Very low	27	Very low	143 Å²	143	121.8 Å²	121.8	73%	0.733	76%	0.755	S	S	*	*			trans	55.8	173.1	163.8	11.4	-178.3	0	0	0	115.4	I282	I280-I282 HydrophobicContact CG2-CD1 3.84Å; I280-I282 HydrophobicContact CG2-CG1 4.38Å
281	E	23.8	Very low	27	Very low	145 Å²	145	125.6 Å²	125.6	68%	0.678	77%	0.766	S	S	*	*			cis	-124	167.8	0.6	-59.7	-71.4	-178.7	0	0	108.1
282	I	28.9	Very low	26.8	Very low	134 Å²	134	124.2 Å²	124.2	69%	0.687	77%	0.767	S	S	*	*			cis	79.3	121.4	24.1	-54.4	179.7	0	0	0	113	I280	I280-I282 HydrophobicContact CG2-CD1 3.84Å; I280-I282 HydrophobicContact CG2-CG1 4.38Å
283	D	27.3	Very low	26.8	Very low	155 Å²	155	122.8 Å²	122.8	83%	0.829	76%	0.756	S	S	*	*			cis	-148.1	-168	-13.2	-150.2	34.4	0	0	0	107.7
284	G	26.9	Very low	27	Very low	46 Å²	46	127.1 Å²	127.1	47%	0.474	75%	0.753	S	S	.	*			cis	173.5	-168.9	9.4	0	0	0	0	0	116.2
285	T	28.1	Very low	27.3	Very low	148 Å²	148	131.5 Å²	131.5	91%	0.908	75%	0.752	S	S	*	*			trans	71.7	131.9	179.7	72.1	0	0	0	0	117.4
286	G	24.1	Very low	27.5	Very low	68 Å²	68	129.4 Å²	129.4	70%	0.701	74%	0.741	S	S	*	*			cis	166.3	161.7	-12.9	0	0	0	0	0	115
287	L	28.8	Very low	27.5	Very low	175 Å²	175	130.1 Å²	130.1	92%	0.916	75%	0.746	S	S	*	*			trans	71.3	152.3	168.2	-50	179.9	0	0	0	117.7
288	D	23.6	Very low	27.6	Very low	128 Å²	128	133.5 Å²	133.5	68%	0.684	75%	0.748	S	S	*	*			cis	-167.8	167.5	-31	-172.4	20.9	0	0	0	108.2
289	L	28.5	Very low	27.6	Very low	154 Å²	154	128.3 Å²	128.3	81%	0.806	74%	0.738	S	S	*	*			trans	68.9	151.4	170.1	-47	177	0	0	0	116.8
290	G	23.6	Very low	28.1	Very low	64 Å²	64	133.6 Å²	133.6	66%	0.66	74%	0.744	S	S	*	*			cis	144.1	105.2	-9.6	0	0	0	0	0	114.1
291	L	27.8	Very low	28	Very low	192 Å²	192	132.9 Å²	132.9	100%	1.005	75%	0.752	S	S	*	*			trans	65.2	159.2	168.1	-53.1	169.2	0	0	0	117.3
292	G	25.6	Very low	28.2	Very low	69 Å²	69	129.1 Å²	129.1	71%	0.711	75%	0.752	S	S	*	*			trans	127.3	65.3	148.4	0	0	0	0	0	121.4
293	E	27.3	Very low	28.9	Very low	140 Å²	140	131 Å²	131	65%	0.654	76%	0.763	S	S	*	*			trans	60.7	123.8	133.1	-57.8	-148.3	133.8	0	0	125.9
294	R	31.1	Very low	28.9	Very low	181 Å²	181	129.3 Å²	129.3	68%	0.683	76%	0.763	S	S	*	*				50.1	116.3	122.6	-49.8	-174.1	-63.5	-165.6	-2.6	121.3
295	R	33.8	Very low	29.8	Very low	205 Å²	205	133.1 Å²	133.1	77%	0.774	78%	0.779	S	S	*	*				169.3	138.4	99.4	-87	-151	172.7	-118.8	-2.3	110.8
296	L	30.1	Very low	30	Very low	122 Å²	122	129.1 Å²	129.1	64%	0.639	77%	0.767	S	S	*	*			cis	89	96.6	46.1	-75	-178.4	0	0	0	116.2
297	S	28.5	Very low	30.2	Very low	118 Å²	118	131.7 Å²	131.7	83%	0.825	76%	0.761	S	S	*	*			trans	-170.6	133.2	140.6	49.5	0	0	0	0	108.2
298	F	27.9	Very low	30.7	Very low	175 Å²	175	132.5 Å²	132.5	77%	0.768	75%	0.752	S	S	*	*			cis	88.8	124.6	7.2	-110	-61.2	0	0	0	119.1	K300	F298-K300 HydrophobicContact CD1-CB 4.24Å; F298-K300 HydrophobicContact CD1-CD 4.37Å; F298-K300 HydrophobicContact CE1-CB 4.4Å; F298-K300 HydrophobicContact CE1-CD 3.77Å
299	G	28.4	Very low	31.2	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	75%	0.75	S	S	*	*			trans	137.8	103.6	170.4	0	0	0	0	0	111.3
300	K	36.5	Very low	31.3	Very low	172 Å²	172	127.2 Å²	127.2	75%	0.748	74%	0.744	S	S	*	*			cis	76	103.8	9.9	-168.2	170.1	-177.9	172.8	0	118.1	F298	F298-K300 HydrophobicContact CD1-CB 4.24Å; F298-K300 HydrophobicContact CD1-CD 4.37Å; F298-K300 HydrophobicContact CE1-CB 4.4Å; F298-K300 HydrophobicContact CE1-CD 3.77Å
301	S	26.6	Very low	31.5	Very low	128 Å²	128	130 Å²	130	90%	0.895	75%	0.753	S	S	*	*			trans	-158.2	149.9	149.2	-75.7	0	0	0	0	106.3
302	G	29.2	Very low	31.7	Very low	66 Å²	66	129.6 Å²	129.6	68%	0.68	75%	0.75	S	S	*	*			cis	149.6	79.5	2.1	0	0	0	0	0	109.1
303	L	43.4	Very low	32.3	Very low	174 Å²	174	131.3 Å²	131.3	91%	0.911	75%	0.751	S	S	*	*				62.8	125.9	101.9	-71.2	180	0	0	0	116.8
304	S	26.9	Very low	32.9	Very low	119 Å²	119	130.4 Å²	130.4	83%	0.832	76%	0.76	S	S	*	*			trans	-151.4	150.3	149.5	-155.9	0	0	0	0	109.9
305	P	47	Very low	33.1	Very low	126 Å²	126	129.3 Å²	129.3	82%	0.818	77%	0.767	S	S	*	*			trans	-118.1	164	-163.8	40.9	-30.3	0	0	0	116
306	G	30.5	Very low	33.8	Very low	64 Å²	64	123.3 Å²	123.3	66%	0.66	75%	0.75	S	S	*	*			trans	-159.3	97.9	177.3	0	0	0	0	0	117.3
307	Q	28.9	Very low	34.3	Very low	122 Å²	122	119.8 Å²	119.8	57%	0.57	74%	0.743	S	S	*	*			trans	51.4	129.6	154.5	-69.7	177.8	-17.6	0	0	121.7	R832	Q307-R832 VanDerWaalsContact CB-NH1 3.33Å; Q307-R832 PolarHBondContact O-NH1 3.16Å; Q307-R832 PolarHBondContact O-NH2 2.9Å; Q307-R832 VanDerWaalsContact O-NH2 3.15Å
308	R	39.3	Very low	34.7	Very low	191 Å²	191	121.6 Å²	121.6	72%	0.721	74%	0.736	S	S	*	*			trans	-104.6	118.3	174.4	-169.9	-167.8	-54.9	173.8	8	111.7	E677	R308-E677 IonicContact CZ-OE1 2.85Å; R308-E677 IonicContact CZ-OE2 3.87Å; R308-E677 VanDerWaalsContact CZ-OE2 3.23Å; R308-E677 IonicContact NH1-OE2 2.72Å; R308-E677 PolarHBondContact NH1-OE2 2.8Å; R308-E677 IonicContact NH2-OE1 2.9Å; R308-E677 PolarHBondContact NH2-OE1 3.09Å; R308-E677 IonicContact NH2-OE2 2.69Å; R308-E677 PolarHBondContact NH2-OE2 2.85Å
309	V	34	Very low	35.5	Very low	107 Å²	107	117 Å²	117	65%	0.648	72%	0.717	S	S	*	*			trans	-163.4	144	161.4	-93.2	0	0	0	0	105.5
310	G	30.9	Very low	36.5	Very low	65 Å²	65	120 Å²	120	67%	0.67	71%	0.712	S	S	*	*			cis	173.8	156.6	-2.9	0	0	0	0	0	108.2
311	S	27.3	Very low	37.3	Very low	123 Å²	123	116.7 Å²	116.7	86%	0.86	70%	0.702	S	S	*	*			trans	63.7	104.7	-178.2	-54.1	0	0	0	0	116.2
312	I	32.8	Very low	38.4	Very low	183 Å²	183	116.1 Å²	116.1	94%	0.938	68%	0.68	S	S	*	*			trans	-117.5	78.6	156.8	-39	175.2	0	0	0	107.7
313	S	37.2	Very low	39.6	Very low	105 Å²	105	117.5 Å²	117.5	73%	0.734	67%	0.672	S	S	*	*			trans	-128.7	136.4	169.9	-67	0	0	0	0	107.4
314	S	40.9	Very low	40.4	Very low	120 Å²	120	116 Å²	116	84%	0.839	66%	0.655	S	S	*	*			trans	68.5	92.6	-174.8	-52.7	0	0	0	0	115.7
315	L	35.5	Very low	42.4	Very low	158 Å²	158	114.6 Å²	114.6	83%	0.827	64%	0.635	S	S	*	*			trans	-158.1	106.8	131.5	-108	171.8	0	0	0	111.5	G317	L315-G317 PolarHBondContact O-N 2.86Å
316	N	48.3	Very low	43	Very low	79 Å²	79	112.4 Å²	112.4	42%	0.422	61%	0.614	S	S	.	*			trans	9.7	70.2	158.5	-156.6	20.3	0	0	0	120.8	K318 E319	N316-K318 PolarHBondContact O-N 2.88Å; N316-E319 HydrophobicContact CB-CB 4.28Å; N316-E319 PolarHBondContact ND2-OE2 3.16Å; N316-E319 WeakPolarHBondContact O-CB 2.98Å; N316-E319 PolarHBondContact O-N 2.98Å
317	G	41.2	Very low	44.7	Very low	48 Å²	48	114.6 Å²	114.6	50%	0.495	61%	0.607	S	S	.	*	H	α-helix	trans	-59.8	-7.5	171.8	0	0	0	0	0	116.1	L315 E319	L315-G317 PolarHBondContact O-N 2.86Å; G317-E319 VanDerWaalsContact C-N 3.27Å
318	K	37.2	Very low	46.6	Very low	157 Å²	157	111.8 Å²	111.8	68%	0.683	59%	0.594	S	S	*	*	H	α-helix	trans	-73.9	-17.3	168	-167.9	-175.8	176.1	-174.6	0	112.3	N316 R322	N316-K318 PolarHBondContact O-N 2.88Å; K318-R322 WeakPolarHBondContact O-CG 3.29Å; K318-R322 PolarHBondContact O-NH1 2.76Å
319	E	43.6	Very low	47.7	Very low	77 Å²	77	108 Å²	108	36%	0.36	58%	0.579	S	S	.	*	H	α-helix	trans	-77.8	-58.8	175	-151.4	110.5	-111.3	0	0	109.8	N316 G317 L321 R322 D323	N316-E319 HydrophobicContact CB-CB 4.28Å; N316-E319 PolarHBondContact ND2-OE2 3.16Å; N316-E319 WeakPolarHBondContact O-CB 2.98Å; N316-E319 PolarHBondContact O-N 2.98Å; G317-E319 VanDerWaalsContact C-N 3.27Å; E319-L321 PolarHBondContact O-N 3.46Å; E319-L321 VanDerWaalsContact O-N 3.1Å; E319-R322 WeakPolarHBondContact O-CA 3.34Å; E319-R322 WeakPolarHBondContact O-CB 3.27Å; E319-R322 PolarHBondContact O-N 3.14Å; E319-R322 IonicContact OE1-CZ 3.42Å; E319-R322 IonicContact OE1-NH1 2.79Å; E319-R322 IonicContact OE1-NH2 3.98Å; E319-R322 PolarHBondContact OE1-NH2 3.49Å; E319-D323 PolarHBondContact O-N 3.44Å
320	E	49.9	Very low	49.6	Very low	137 Å²	137	105.7 Å²	105.7	64%	0.64	56%	0.563	S	S	*	*	H	α-helix	trans	-54	-36	-178.5	-57.6	178.5	135.2	0	0	112.5	D323 Y324	E320-D323 PolarHBondContact O-N 3.41Å; E320-Y324 VanDerWaalsContact O-CB 3.27Å; E320-Y324 WeakPolarHBondContact O-CB 3.44Å; E320-Y324 PolarHBondContact O-N 2.96Å
321	L	51.9	Low	51.5	Low	102 Å²	102	106.1 Å²	106.1	53%	0.534	55%	0.548	S	S	.	.	H	α-helix	trans	-70.6	-36	175.9	-171.5	64.3	0	0	0	113.1	E319 H325	E319-L321 PolarHBondContact O-N 3.46Å; E319-L321 VanDerWaalsContact O-N 3.1Å; L321-H325 PolarHBondContact O-CD2 2.91Å; L321-H325 PolarHBondContact O-N 3.4Å; L321-H325 VanDerWaalsContact O-N 3.09Å
322	R	51.6	Low	53.3	Low	115 Å²	115	102.9 Å²	102.9	43%	0.434	52%	0.517	S	S	.	.	H	α-helix	trans	-68.8	-41.8	173.4	-65.6	-174.6	-36.5	-96.2	9.3	110.4	K318 E319 Y324 H325 Q326	K318-R322 WeakPolarHBondContact O-CG 3.29Å; K318-R322 PolarHBondContact O-NH1 2.76Å; E319-R322 WeakPolarHBondContact O-CA 3.34Å; E319-R322 WeakPolarHBondContact O-CB 3.27Å; E319-R322 PolarHBondContact O-N 3.14Å; E319-R322 IonicContact OE1-CZ 3.42Å; E319-R322 IonicContact OE1-NH1 2.79Å; E319-R322 IonicContact OE1-NH2 3.98Å; E319-R322 PolarHBondContact OE1-NH2 3.49Å; R322-Y324 VanDerWaalsContact C-N 3.33Å; R322-H325 PolarHBondContact O-N 2.86Å; R322-Q326 WeakPolarHBondContact O-CB 3.5Å; R322-Q326 PolarHBondContact O-N 2.89Å
323	D	54.4	Low	55.2	Low	95 Å²	95	99.4 Å²	99.4	51%	0.508	50%	0.5	S	S	.	.	H	α-helix	trans	-67.6	-35.4	179.4	-63.2	-15.5	0	0	0	111.1	E319 E320 Q326 H327	E319-D323 PolarHBondContact O-N 3.44Å; E320-D323 PolarHBondContact O-N 3.41Å; D323-Q326 PolarHBondContact O-N 2.66Å; D323-H327 WeakPolarHBondContact O-CB 3.5Å; D323-H327 PolarHBondContact O-N 3.25Å
324	Y	59.7	Low	57.3	Low	144 Å²	144	99 Å²	99	57%	0.565	48%	0.482	S	S	*	.	H	α-helix	trans	-62.1	-49.1	170.2	-179.6	-99.4	0	0	0	112.2	E320 R322 Q326 H327 Q328	E320-Y324 VanDerWaalsContact O-CB 3.27Å; E320-Y324 WeakPolarHBondContact O-CB 3.44Å; E320-Y324 PolarHBondContact O-N 2.96Å; R322-Y324 VanDerWaalsContact C-N 3.33Å; Y324-Q326 VanDerWaalsContact C-N 3.32Å; Y324-Q326 PolarHBondContact O-N 3.45Å; Y324-H327 PolarHBondContact O-N 3.06Å; Y324-Q328 WeakPolarHBondContact O-CB 3.38Å; Y324-Q328 PolarHBondContact O-N 3.41Å
325	H	68.5	Low	59	Low	89 Å²	89	98 Å²	98	41%	0.412	46%	0.464	S	S	.	.	H	α-helix	trans	-64.4	-35.9	176.4	-71.5	-54	0	0	0	112.5	L321 R322 R329	L321-H325 PolarHBondContact O-CD2 2.91Å; L321-H325 PolarHBondContact O-N 3.4Å; L321-H325 VanDerWaalsContact O-N 3.09Å; R322-H325 PolarHBondContact O-N 2.86Å; H325-R329 WeakPolarHBondContact O-CG 3.43Å; H325-R329 PolarHBondContact O-N 3.48Å; H325-R329 VanDerWaalsContact O-N 3.11Å
326	Q	58.7	Low	60.6	Low	80 Å²	80	95.3 Å²	95.3	37%	0.374	45%	0.447	S	S	.	.	H	α-helix	trans	-67.1	-48.2	174.9	-175.8	52.8	37.9	0	0	110.9	R322 D323 Y324 Q328 R329 D330	R322-Q326 WeakPolarHBondContact O-CB 3.5Å; R322-Q326 PolarHBondContact O-N 2.89Å; D323-Q326 PolarHBondContact O-N 2.66Å; Y324-Q326 VanDerWaalsContact C-N 3.32Å; Y324-Q326 PolarHBondContact O-N 3.45Å; Q326-Q328 VanDerWaalsContact C-N 3.26Å; Q326-Q328 PolarHBondContact O-N 3.31Å; Q326-R329 WeakPolarHBondContact O-CB 3.35Å; Q326-R329 PolarHBondContact O-N 2.91Å; Q326-D330 PolarHBondContact NE2-OD1 3.49Å; Q326-D330 PolarHBondContact NE2-OD2 2.94Å; Q326-D330 PolarHBondContact O-N 2.98Å
327	H	67	Low	61.9	Low	110 Å²	110	98 Å²	98	51%	0.509	46%	0.455	S	S	.	.	H	α-helix	trans	-57.4	-37.4	175.7	-172.8	78.8	0	0	0	112.3	D323 Y324 D330 E331	D323-H327 WeakPolarHBondContact O-CB 3.5Å; D323-H327 PolarHBondContact O-N 3.25Å; Y324-H327 PolarHBondContact O-N 3.06Å; H327-D330 PolarHBondContact O-N 2.92Å; H327-E331 WeakPolarHBondContact O-CB 3.49Å; H327-E331 PolarHBondContact O-N 3.24Å
328	Q	68.3	Low	63.8	Low	63 Å²	63	100.2 Å²	100.2	29%	0.294	46%	0.459	S	S	.	.	H	α-helix	trans	-76.8	-21.5	177	-155.2	-145.1	43.3	0	0	114	Y324 Q326 R332	Y324-Q328 WeakPolarHBondContact O-CB 3.38Å; Y324-Q328 PolarHBondContact O-N 3.41Å; Q326-Q328 VanDerWaalsContact C-N 3.26Å; Q326-Q328 PolarHBondContact O-N 3.31Å; Q328-R332 PolarHBondContact O-N 3.33Å; Q328-R332 PolarHBondContact O-NE 2.96Å
329	R	63.4	Low	65.7	Low	111 Å²	111	98.6 Å²	98.6	42%	0.419	45%	0.454	S	S	.	.	H	α-helix	trans	-73.5	-46.6	165.5	-71.5	171.8	-176.8	141.1	-1.8	110.3	H325 Q326 E331 R332 L333	H325-R329 WeakPolarHBondContact O-CG 3.43Å; H325-R329 PolarHBondContact O-N 3.48Å; H325-R329 VanDerWaalsContact O-N 3.11Å; Q326-R329 WeakPolarHBondContact O-CB 3.35Å; Q326-R329 PolarHBondContact O-N 2.91Å; R329-E331 VanDerWaalsContact C-N 3.31Å; R329-E331 PolarHBondContact O-N 2.97Å; R329-R332 PolarHBondContact O-N 2.94Å; R329-L333 WeakPolarHBondContact O-CB 3.26Å; R329-L333 PolarHBondContact O-N 3.26Å
330	D	72.5	Confident	67.5	Low	58 Å²	58	101.5 Å²	101.5	31%	0.31	47%	0.465	S	S	.	.	H	α-helix	trans	-67	-33.5	-179.3	-64.1	-32.8	0	0	0	111.7	Q326 H327 L333 R334	Q326-D330 PolarHBondContact NE2-OD1 3.49Å; Q326-D330 PolarHBondContact NE2-OD2 2.94Å; Q326-D330 PolarHBondContact O-N 2.98Å; H327-D330 PolarHBondContact O-N 2.92Å; D330-L333 PolarHBondContact O-N 2.92Å; D330-R334 WeakPolarHBondContact O-CB 3.44Å; D330-R334 WeakPolarHBondContact O-CG 3.36Å; D330-R334 PolarHBondContact O-N 3.33Å; D330-R334 PolarHBondContact O-NH1 3Å
331	E	72.6	Confident	69.2	Low	74 Å²	74	99.5 Å²	99.5	35%	0.346	46%	0.458	S	S	.	.	H	α-helix	trans	-66.6	-46.8	171.8	-161.8	66.4	-93	0	0	111.2	H327 R329 L333 R334 E335	H327-E331 WeakPolarHBondContact O-CB 3.49Å; H327-E331 PolarHBondContact O-N 3.24Å; R329-E331 VanDerWaalsContact C-N 3.31Å; R329-E331 PolarHBondContact O-N 2.97Å; E331-L333 PolarHBondContact O-N 3.18Å; E331-R334 CarbonylContact O-C 3.46Å; E331-R334 WeakPolarHBondContact O-CA 2.93Å; E331-R334 WeakPolarHBondContact O-CB 3.44Å; E331-R334 PolarHBondContact O-N 2.87Å; E331-R334 IonicContact OE1-CZ 2.65Å; E331-R334 IonicContact OE1-NE 3.22Å; E331-R334 PolarHBondContact OE1-NE 2.8Å; E331-R334 IonicContact OE1-NH2 2.77Å; E331-R334 PolarHBondContact OE1-NH2 2.84Å; E331-R334 IonicContact OE2-CZ 3.65Å; E331-R334 IonicContact OE2-NE 2.77Å; E331-R334 PolarHBondContact OE2-NE 2.91Å; E331-R334 IonicContact OE2-NH2 3.93Å; E331-R334 PolarHBondContact OE2-NH2 3.32Å; E331-E335 WeakPolarHBondContact O-CG 3.45Å; E331-E335 PolarHBondContact O-N 3.49Å
332	R	64.5	Low	70.6	Confident	56 Å²	56	97.9 Å²	97.9	21%	0.211	45%	0.448	C	S	.	.	H	α-helix	trans	-64.5	-28.8	175	-76.1	-176.5	-75	-179	-1.7	112.9	Q328 R329 Q336 L501	Q328-R332 PolarHBondContact O-N 3.33Å; Q328-R332 PolarHBondContact O-NE 2.96Å; R329-R332 PolarHBondContact O-N 2.94Å; R332-Q336 WeakPolarHBondContact O-CB 3.45Å; R332-Q336 WeakPolarHBondContact O-CG 3.47Å; R332-Q336 PolarHBondContact O-N 3.2Å; R332-L501 VanDerWaalsContact NH1-CG 3.34Å
333	L	71.4	Confident	71.9	Confident	110 Å²	110	96.3 Å²	96.3	58%	0.576	45%	0.454	S	S	*	.	H	α-helix	trans	-72.4	-36.9	171	-171.6	62.2	0	0	0	111.9	R329 D330 E331 K337	R329-L333 WeakPolarHBondContact O-CB 3.26Å; R329-L333 PolarHBondContact O-N 3.26Å; D330-L333 PolarHBondContact O-N 2.92Å; E331-L333 PolarHBondContact O-N 3.18Å; L333-K337 VanDerWaalsContact O-CB 3.25Å; L333-K337 WeakPolarHBondContact O-CB 3.49Å; L333-K337 PolarHBondContact O-N 2.95Å
334	R	81.3	Confident	73.1	Confident	97 Å²	97	97.1 Å²	97.1	37%	0.366	46%	0.455	S	S	.	.	H	α-helix	trans	-62.6	-47.6	168.9	-75.4	-175.6	-65.3	-88.8	10.2	110.9	D330 E331 K337 V338	D330-R334 WeakPolarHBondContact O-CB 3.44Å; D330-R334 WeakPolarHBondContact O-CG 3.36Å; D330-R334 PolarHBondContact O-N 3.33Å; D330-R334 PolarHBondContact O-NH1 3Å; E331-R334 CarbonylContact O-C 3.46Å; E331-R334 WeakPolarHBondContact O-CA 2.93Å; E331-R334 WeakPolarHBondContact O-CB 3.44Å; E331-R334 PolarHBondContact O-N 2.87Å; E331-R334 IonicContact OE1-CZ 2.65Å; E331-R334 IonicContact OE1-NE 3.22Å; E331-R334 PolarHBondContact OE1-NE 2.8Å; E331-R334 IonicContact OE1-NH2 2.77Å; E331-R334 PolarHBondContact OE1-NH2 2.84Å; E331-R334 IonicContact OE2-CZ 3.65Å; E331-R334 IonicContact OE2-NE 2.77Å; E331-R334 PolarHBondContact OE2-NE 2.91Å; E331-R334 IonicContact OE2-NH2 3.93Å; E331-R334 PolarHBondContact OE2-NH2 3.32Å; R334-K337 CarbonylContact O-C 3.58Å; R334-K337 WeakPolarHBondContact O-CB 3.18Å; R334-K337 PolarHBondContact O-N 3.02Å; R334-K337 VanDerWaalsContact O-N 3.15Å; R334-V338 WeakPolarHBondContact O-CB 3.26Å; R334-V338 VanDerWaalsContact O-CG2 3.32Å; R334-V338 WeakPolarHBondContact O-CG2 3.32Å; R334-V338 PolarHBondContact O-N 3Å
335	E	78.6	Confident	74.6	Confident	99 Å²	99	96.6 Å²	96.6	46%	0.463	45%	0.451	S	S	.	.	H	α-helix	trans	-60.9	-47.1	176.7	-71.5	179.7	149.2	0	0	111.9	E331 K337 V338 Q339	E331-E335 WeakPolarHBondContact O-CG 3.45Å; E331-E335 PolarHBondContact O-N 3.49Å; E335-K337 VanDerWaalsContact C-N 3.28Å; E335-K337 PolarHBondContact O-N 3.1Å; E335-V338 CarbonylContact O-C 3.36Å; E335-V338 PolarHBondContact O-N 3.46Å; E335-Q339 WeakPolarHBondContact O-CB 3.05Å; E335-Q339 VanDerWaalsContact O-CG 3.3Å; E335-Q339 WeakPolarHBondContact O-CG 3.5Å; E335-Q339 PolarHBondContact O-N 2.89Å
336	Q	67.3	Low	75.5	Confident	100 Å²	100	96.2 Å²	96.2	47%	0.467	45%	0.452	S	S	.	.	H	α-helix	trans	-61.9	-35.6	173.8	-77.7	-169.6	21.6	0	0	112.4	R332 K340	R332-Q336 WeakPolarHBondContact O-CB 3.45Å; R332-Q336 WeakPolarHBondContact O-CG 3.47Å; R332-Q336 PolarHBondContact O-N 3.2Å; Q336-K340 VanDerWaalsContact O-CB 3.32Å; Q336-K340 WeakPolarHBondContact O-CB 3.13Å; Q336-K340 VanDerWaalsContact O-CG 3.24Å; Q336-K340 WeakPolarHBondContact O-CG 3.23Å; Q336-K340 PolarHBondContact O-N 2.99Å
337	K	76.3	Confident	76.6	Confident	136 Å²	136	98.8 Å²	98.8	59%	0.591	46%	0.464	S	S	*	.	H	α-helix	trans	-69.3	-40.3	175.2	-173.1	179.3	178.9	-175.1	0	111.3	L333 R334 E335 K340 L341	L333-K337 VanDerWaalsContact O-CB 3.25Å; L333-K337 WeakPolarHBondContact O-CB 3.49Å; L333-K337 PolarHBondContact O-N 2.95Å; R334-K337 CarbonylContact O-C 3.58Å; R334-K337 WeakPolarHBondContact O-CB 3.18Å; R334-K337 PolarHBondContact O-N 3.02Å; R334-K337 VanDerWaalsContact O-N 3.15Å; E335-K337 VanDerWaalsContact C-N 3.28Å; E335-K337 PolarHBondContact O-N 3.1Å; K337-K340 PolarHBondContact O-N 2.97Å; K337-L341 HydrophobicContact CG-CD1 4.21Å; K337-L341 WeakPolarHBondContact O-CB 3.45Å; K337-L341 VanDerWaalsContact O-CG 3.23Å; K337-L341 WeakPolarHBondContact O-CG 3.41Å; K337-L341 PolarHBondContact O-N 2.98Å
338	V	81.8	Confident	77.4	Confident	94 Å²	94	96.9 Å²	96.9	57%	0.57	46%	0.46	S	S	*	.	H	α-helix	trans	-66.2	-43.4	174	168.4	0	0	0	0	110.9	R334 E335 L341 E342	R334-V338 WeakPolarHBondContact O-CB 3.26Å; R334-V338 VanDerWaalsContact O-CG2 3.32Å; R334-V338 WeakPolarHBondContact O-CG2 3.32Å; R334-V338 PolarHBondContact O-N 3Å; E335-V338 CarbonylContact O-C 3.36Å; E335-V338 PolarHBondContact O-N 3.46Å; V338-L341 CarbonylContact O-C 3.58Å; V338-L341 PolarHBondContact O-N 3.12Å; V338-E342 VanDerWaalsContact O-CB 3.26Å; V338-E342 WeakPolarHBondContact O-CB 3.1Å; V338-E342 PolarHBondContact O-N 2.93Å
339	Q	75.8	Confident	78.1	Confident	124 Å²	124	97.2 Å²	97.2	58%	0.579	46%	0.463	S	S	*	.	H	α-helix	trans	-64.2	-39.9	174.6	-73.3	176.4	8.7	0	0	111.7	E335 E342 C343	E335-Q339 WeakPolarHBondContact O-CB 3.05Å; E335-Q339 VanDerWaalsContact O-CG 3.3Å; E335-Q339 WeakPolarHBondContact O-CG 3.5Å; E335-Q339 PolarHBondContact O-N 2.89Å; Q339-E342 PolarHBondContact O-N 3.05Å; Q339-C343 VanDerWaalsContact O-CB 3.3Å; Q339-C343 WeakPolarHBondContact O-CB 3.49Å; Q339-C343 PolarHBondContact O-N 3.28Å; Q339-C343 PolarHBondContact O-SG 3.22Å
340	K	82.3	Confident	78.6	Confident	138 Å²	138	97.4 Å²	97.4	60%	0.6	47%	0.472	S	S	*	.	H	α-helix	trans	-65.6	-42.4	172.7	-77.2	167.3	-179.7	165.9	0	112	Q336 K337 Q344	Q336-K340 VanDerWaalsContact O-CB 3.32Å; Q336-K340 WeakPolarHBondContact O-CB 3.13Å; Q336-K340 VanDerWaalsContact O-CG 3.24Å; Q336-K340 WeakPolarHBondContact O-CG 3.23Å; Q336-K340 PolarHBondContact O-N 2.99Å; K337-K340 PolarHBondContact O-N 2.97Å; K340-Q344 VanDerWaalsContact O-CB 3.25Å; K340-Q344 WeakPolarHBondContact O-CB 3.4Å; K340-Q344 PolarHBondContact O-N 2.95Å
341	L	85.9	Confident	78.8	Confident	94 Å²	94	97.7 Å²	97.7	49%	0.492	48%	0.478	S	S	.	.	H	α-helix	trans	-66.6	-35.3	175	-73.7	167	0	0	0	112.2	K337 V338 Q344 R345	K337-L341 HydrophobicContact CG-CD1 4.21Å; K337-L341 WeakPolarHBondContact O-CB 3.45Å; K337-L341 VanDerWaalsContact O-CG 3.23Å; K337-L341 WeakPolarHBondContact O-CG 3.41Å; K337-L341 PolarHBondContact O-N 2.98Å; V338-L341 CarbonylContact O-C 3.58Å; V338-L341 PolarHBondContact O-N 3.12Å; L341-Q344 PolarHBondContact O-N 3.4Å; L341-R345 VanDerWaalsContact O-CB 3.26Å; L341-R345 WeakPolarHBondContact O-CB 3.13Å; L341-R345 PolarHBondContact O-N 3.35Å
342	E	81.6	Confident	78.9	Confident	69 Å²	69	98.3 Å²	98.3	32%	0.322	48%	0.484	S	S	.	.	H	α-helix	trans	-75.7	-39.1	176.8	-175.3	59.6	-165.9	0	0	111.3	V338 Q339 Q344 R345 L346	V338-E342 VanDerWaalsContact O-CB 3.26Å; V338-E342 WeakPolarHBondContact O-CB 3.1Å; V338-E342 PolarHBondContact O-N 2.93Å; Q339-E342 PolarHBondContact O-N 3.05Å; E342-Q344 VanDerWaalsContact C-N 3.32Å; E342-Q344 PolarHBondContact O-N 3.37Å; E342-R345 PolarHBondContact O-N 3.39Å; E342-R345 IonicContact OE1-CZ 2.7Å; E342-R345 IonicContact OE1-NE 3.67Å; E342-R345 PolarHBondContact OE1-NE 3.2Å; E342-R345 IonicContact OE1-NH2 3.47Å; E342-R345 PolarHBondContact OE1-NH2 3.1Å; E342-R345 IonicContact OE2-CZ 2.61Å; E342-R345 IonicContact OE2-NE 2.71Å; E342-R345 PolarHBondContact OE2-NE 3.39Å; E342-R345 IonicContact OE2-NH2 3.13Å; E342-R345 PolarHBondContact OE2-NH2 3.25Å; E342-L346 HydrophobicContact CG-CD1 4.1Å; E342-L346 HydrophobicContact CG-CG 4.44Å; E342-L346 WeakPolarHBondContact O-CB 3.32Å; E342-L346 WeakPolarHBondContact O-CG 3.36Å; E342-L346 PolarHBondContact O-N 2.93Å
343	C	78.4	Confident	79	Confident	82 Å²	82	99.3 Å²	99.3	55%	0.554	50%	0.499	S	S	*	.	H	α-helix	trans	-59.5	-44.6	168.5	-69.7	0	0	0	0	110.7	Q339 R345 L346 E347	Q339-C343 VanDerWaalsContact O-CB 3.3Å; Q339-C343 WeakPolarHBondContact O-CB 3.49Å; Q339-C343 PolarHBondContact O-N 3.28Å; Q339-C343 PolarHBondContact O-SG 3.22Å; C343-R345 VanDerWaalsContact C-N 3.35Å; C343-R345 PolarHBondContact O-N 2.94Å; C343-L346 PolarHBondContact O-N 3.23Å; C343-E347 WeakPolarHBondContact O-CB 3.44Å; C343-E347 PolarHBondContact O-N 2.96Å
344	Q	79.3	Confident	79.1	Confident	112 Å²	112	97.8 Å²	97.8	52%	0.523	49%	0.494	S	S	.	.	H	α-helix	trans	-66.1	-34.6	175.3	-173.3	175.2	40.9	0	0	112.3	K340 L341 E342 T348	K340-Q344 VanDerWaalsContact O-CB 3.25Å; K340-Q344 WeakPolarHBondContact O-CB 3.4Å; K340-Q344 PolarHBondContact O-N 2.95Å; L341-Q344 PolarHBondContact O-N 3.4Å; E342-Q344 VanDerWaalsContact C-N 3.32Å; E342-Q344 PolarHBondContact O-N 3.37Å; Q344-T348 VanDerWaalsContact O-CB 3.25Å; Q344-T348 WeakPolarHBondContact O-CB 3.46Å; Q344-T348 PolarHBondContact O-N 3.46Å; Q344-T348 PolarHBondContact O-OG1 3.12Å
345	R	91.8	Very high	78.1	Confident	132 Å²	132	96.4 Å²	96.4	50%	0.498	49%	0.492	S	S	.	.	H	α-helix	trans	-68.6	-43.5	174.4	-167.8	-179.3	75.6	103.4	1.9	111	L341 E342 C343 T348 I349	L341-R345 VanDerWaalsContact O-CB 3.26Å; L341-R345 WeakPolarHBondContact O-CB 3.13Å; L341-R345 PolarHBondContact O-N 3.35Å; E342-R345 PolarHBondContact O-N 3.39Å; E342-R345 IonicContact OE1-CZ 2.7Å; E342-R345 IonicContact OE1-NE 3.67Å; E342-R345 PolarHBondContact OE1-NE 3.2Å; E342-R345 IonicContact OE1-NH2 3.47Å; E342-R345 PolarHBondContact OE1-NH2 3.1Å; E342-R345 IonicContact OE2-CZ 2.61Å; E342-R345 IonicContact OE2-NE 2.71Å; E342-R345 PolarHBondContact OE2-NE 3.39Å; E342-R345 IonicContact OE2-NH2 3.13Å; E342-R345 PolarHBondContact OE2-NH2 3.25Å; C343-R345 VanDerWaalsContact C-N 3.35Å; C343-R345 PolarHBondContact O-N 2.94Å; R345-T348 PolarHBondContact O-N 3.02Å; R345-I349 HydrophobicContact CG-CD1 4.03Å; R345-I349 WeakPolarHBondContact O-CB 3.48Å; R345-I349 WeakPolarHBondContact O-CD1 3.4Å; R345-I349 WeakPolarHBondContact O-CG1 3.31Å; R345-I349 PolarHBondContact O-N 2.95Å
346	L	86.8	Confident	77	Confident	82 Å²	82	97.3 Å²	97.3	43%	0.429	50%	0.499	S	S	.	.	H	α-helix	trans	-67.5	-40.6	176	-69.9	168.9	0	0	0	111.3	E342 C343 I349 L350	E342-L346 HydrophobicContact CG-CD1 4.1Å; E342-L346 HydrophobicContact CG-CG 4.44Å; E342-L346 WeakPolarHBondContact O-CB 3.32Å; E342-L346 WeakPolarHBondContact O-CG 3.36Å; E342-L346 PolarHBondContact O-N 2.93Å; C343-L346 PolarHBondContact O-N 3.23Å; L346-I349 PolarHBondContact O-N 2.68Å; L346-L350 VanDerWaalsContact O-CB 3.3Å; L346-L350 WeakPolarHBondContact O-CB 3.26Å; L346-L350 WeakPolarHBondContact O-CG 3.31Å; L346-L350 PolarHBondContact O-N 3.42Å
347	E	81.6	Confident	76.3	Confident	133 Å²	133	94.4 Å²	94.4	62%	0.621	50%	0.496	S	S	*	.	H	α-helix	trans	-61.3	-43.2	170.8	-178.8	179.7	-152.1	0	0	111.1	C343 L350 S351	C343-E347 WeakPolarHBondContact O-CB 3.44Å; C343-E347 PolarHBondContact O-N 2.96Å; E347-L350 PolarHBondContact O-N 3.46Å; E347-S351 WeakPolarHBondContact O-CB 3.31Å; E347-S351 PolarHBondContact O-N 3.11Å
348	T	84.3	Confident	74.9	Confident	71 Å²	71	93.9 Å²	93.9	44%	0.436	50%	0.495	S	S	.	.	H	α-helix	trans	-65.1	-41.5	175	-58.2	0	0	0	0	111.5	Q344 R345 S351 L352	Q344-T348 VanDerWaalsContact O-CB 3.25Å; Q344-T348 WeakPolarHBondContact O-CB 3.46Å; Q344-T348 PolarHBondContact O-N 3.46Å; Q344-T348 PolarHBondContact O-OG1 3.12Å; R345-T348 PolarHBondContact O-N 3.02Å; T348-S351 PolarHBondContact O-N 2.74Å; T348-L352 HydrophobicContact CG2-CD1 4Å; T348-L352 HydrophobicContact CG2-CG 4.45Å; T348-L352 WeakPolarHBondContact O-CB 3.49Å; T348-L352 VanDerWaalsContact O-CG 3.25Å; T348-L352 WeakPolarHBondContact O-CG 3.46Å; T348-L352 PolarHBondContact O-N 2.83Å
349	I	83.7	Confident	73.2	Confident	69 Å²	69	95 Å²	95	35%	0.354	50%	0.502	S	S	.	.	H	α-helix	trans	-64.6	-45.7	175.3	-72.4	162.6	0	0	0	110.3	R345 L346 S351 L352 C353	R345-I349 HydrophobicContact CG-CD1 4.03Å; R345-I349 WeakPolarHBondContact O-CB 3.48Å; R345-I349 WeakPolarHBondContact O-CD1 3.4Å; R345-I349 WeakPolarHBondContact O-CG1 3.31Å; R345-I349 PolarHBondContact O-N 2.95Å; L346-I349 PolarHBondContact O-N 2.68Å; I349-S351 VanDerWaalsContact C-N 3.34Å; I349-S351 PolarHBondContact O-N 2.02Å; I349-L352 PolarHBondContact O-N 3.26Å; I349-C353 VanDerWaalsContact O-CB 3.32Å; I349-C353 WeakPolarHBondContact O-CB 3.31Å; I349-C353 PolarHBondContact O-N 3.08Å; I349-C353 PolarHBondContact O-SG 3.4Å
350	L	73.3	Confident	71.6	Confident	116 Å²	116	94.7 Å²	94.7	61%	0.607	51%	0.508	S	S	*	.	H	α-helix	trans	-64.4	-38.5	177.1	-74	166.9	0	0	0	111.8	L346 E347 T354	L346-L350 VanDerWaalsContact O-CB 3.3Å; L346-L350 WeakPolarHBondContact O-CB 3.26Å; L346-L350 WeakPolarHBondContact O-CG 3.31Å; L346-L350 PolarHBondContact O-N 3.42Å; E347-L350 PolarHBondContact O-N 3.46Å; L350-T354 WeakPolarHBondContact O-CB 3.49Å; L350-T354 PolarHBondContact O-N 3.31Å; L350-T354 PolarHBondContact O-OG1 3.08Å
351	S	76.2	Confident	70	Confident	63 Å²	63	98.3 Å²	98.3	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-49.4	172.4	-170.9	0	0	0	0	111	E347 T348 I349 C353 T354 E355	E347-S351 WeakPolarHBondContact O-CB 3.31Å; E347-S351 PolarHBondContact O-N 3.11Å; T348-S351 PolarHBondContact O-N 2.74Å; I349-S351 VanDerWaalsContact C-N 3.34Å; I349-S351 PolarHBondContact O-N 2.02Å; S351-C353 PolarHBondContact O-N 3.25Å; S351-T354 CarbonylContact O-C 3.49Å; S351-T354 WeakPolarHBondContact O-CA 3.4Å; S351-T354 WeakPolarHBondContact O-CB 3.4Å; S351-T354 PolarHBondContact O-N 3.2Å; S351-E355 PolarHBondContact O-N 3.43Å
352	L	74.9	Confident	67.5	Low	88 Å²	88	101.2 Å²	101.2	46%	0.461	53%	0.529	S	S	.	.	H	α-helix	trans	-64.7	-35.8	176.8	-72	169.6	0	0	0	112.8	T348 I349 T354 E355 L356	T348-L352 HydrophobicContact CG2-CD1 4Å; T348-L352 HydrophobicContact CG2-CG 4.45Å; T348-L352 WeakPolarHBondContact O-CB 3.49Å; T348-L352 VanDerWaalsContact O-CG 3.25Å; T348-L352 WeakPolarHBondContact O-CG 3.46Å; T348-L352 PolarHBondContact O-N 2.83Å; I349-L352 PolarHBondContact O-N 3.26Å; L352-T354 VanDerWaalsContact C-N 3.29Å; L352-E355 PolarHBondContact O-N 2.8Å; L352-L356 VanDerWaalsContact O-CB 3.29Å; L352-L356 WeakPolarHBondContact O-CB 3.25Å; L352-L356 VanDerWaalsContact O-CG 3.25Å; L352-L356 WeakPolarHBondContact O-CG 3.1Å; L352-L356 PolarHBondContact O-N 2.65Å
353	C	67	Low	65.7	Low	77 Å²	77	102.9 Å²	102.9	52%	0.52	55%	0.546	S	S	.	.	H	α-helix	trans	-69.5	-28.1	172.3	-73.4	0	0	0	0	112.1	I349 S351 G357	I349-C353 VanDerWaalsContact O-CB 3.32Å; I349-C353 WeakPolarHBondContact O-CB 3.31Å; I349-C353 PolarHBondContact O-N 3.08Å; I349-C353 PolarHBondContact O-SG 3.4Å; S351-C353 PolarHBondContact O-N 3.25Å; C353-G357 PolarHBondContact O-N 2.95Å
354	T	72.3	Confident	63.9	Low	78 Å²	78	103.9 Å²	103.9	48%	0.479	55%	0.55	S	S	.	*	H	α-helix	trans	-77.7	-41	173.7	-56.2	0	0	0	0	110.9	L350 S351 L352 G357 Q358	L350-T354 WeakPolarHBondContact O-CB 3.49Å; L350-T354 PolarHBondContact O-N 3.31Å; L350-T354 PolarHBondContact O-OG1 3.08Å; S351-T354 CarbonylContact O-C 3.49Å; S351-T354 WeakPolarHBondContact O-CA 3.4Å; S351-T354 WeakPolarHBondContact O-CB 3.4Å; S351-T354 PolarHBondContact O-N 3.2Å; L352-T354 VanDerWaalsContact C-N 3.29Å; T354-G357 CarbonylContact O-C 3.59Å; T354-G357 PolarHBondContact O-N 3.32Å; T354-Q358 WeakPolarHBondContact O-CB 3.41Å; T354-Q358 VanDerWaalsContact O-CG 3.29Å; T354-Q358 WeakPolarHBondContact O-CG 3.31Å; T354-Q358 PolarHBondContact O-N 2.91Å
355	E	60.6	Low	62.3	Low	68 Å²	68	100.6 Å²	100.6	32%	0.318	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-45.2	171.7	-73.7	-172.3	146.8	0	0	111	S351 L352 G357 Q358 V359 R875	S351-E355 PolarHBondContact O-N 3.43Å; L352-E355 PolarHBondContact O-N 2.8Å; E355-G357 VanDerWaalsContact C-N 3.33Å; E355-G357 PolarHBondContact O-N 3.27Å; E355-Q358 PolarHBondContact O-N 3.24Å; E355-Q358 VanDerWaalsContact O-N 3.14Å; E355-V359 WeakPolarHBondContact O-CG2 3.21Å; E355-V359 PolarHBondContact O-N 2.91Å; E355-R875 IonicContact OE1-CZ 3.35Å; E355-R875 IonicContact OE1-NE 3.31Å; E355-R875 IonicContact OE1-NH2 2.66Å; E355-R875 PolarHBondContact OE1-NH2 2.89Å; E355-R875 IonicContact OE2-NH2 3.96Å; E355-R875 PolarHBondContact OE2-NH2 2.92Å
356	L	56.6	Low	60.3	Low	118 Å²	118	98.5 Å²	98.5	62%	0.618	55%	0.552	S	S	*	*	H	α-helix	trans	-62.2	-39.9	172.4	-73.8	167.2	0	0	0	111.7	L352 Q358 V359 V360	L352-L356 VanDerWaalsContact O-CB 3.29Å; L352-L356 WeakPolarHBondContact O-CB 3.25Å; L352-L356 VanDerWaalsContact O-CG 3.25Å; L352-L356 WeakPolarHBondContact O-CG 3.1Å; L352-L356 PolarHBondContact O-N 2.65Å; L356-Q358 VanDerWaalsContact C-N 3.27Å; L356-Q358 PolarHBondContact O-N 3.33Å; L356-V359 PolarHBondContact O-N 2.98Å; L356-V360 WeakPolarHBondContact O-CB 3.1Å; L356-V360 VanDerWaalsContact O-CG2 3.31Å; L356-V360 WeakPolarHBondContact O-CG2 3.29Å; L356-V360 PolarHBondContact O-N 2.82Å
357	G	52.8	Low	58.4	Low	38 Å²	38	97.5 Å²	97.5	39%	0.392	56%	0.555	S	S	.	*	H	α-helix	trans	-63.6	-29.9	173.5	0	0	0	0	0	113.7	C353 T354 E355 R361	C353-G357 PolarHBondContact O-N 2.95Å; T354-G357 CarbonylContact O-C 3.59Å; T354-G357 PolarHBondContact O-N 3.32Å; E355-G357 VanDerWaalsContact C-N 3.33Å; E355-G357 PolarHBondContact O-N 3.27Å; G357-R361 VanDerWaalsContact O-CB 3.31Å; G357-R361 WeakPolarHBondContact O-CB 3.45Å; G357-R361 VanDerWaalsContact O-CG 3.3Å; G357-R361 WeakPolarHBondContact O-CG 3.35Å
358	Q	46.2	Very low	57	Low	126 Å²	126	94.3 Å²	94.3	59%	0.589	55%	0.545	S	S	*	.	H	α-helix	trans	-82.1	-38.2	175.4	-76.1	175	-11.5	0	0	112.5	T354 E355 L356 V360 R361 E362	T354-Q358 WeakPolarHBondContact O-CB 3.41Å; T354-Q358 VanDerWaalsContact O-CG 3.29Å; T354-Q358 WeakPolarHBondContact O-CG 3.31Å; T354-Q358 PolarHBondContact O-N 2.91Å; E355-Q358 PolarHBondContact O-N 3.24Å; E355-Q358 VanDerWaalsContact O-N 3.14Å; L356-Q358 VanDerWaalsContact C-N 3.27Å; L356-Q358 PolarHBondContact O-N 3.33Å; Q358-V360 PolarHBondContact O-N 2.89Å; Q358-R361 CarbonylContact O-C 3.54Å; Q358-R361 WeakPolarHBondContact O-CA 3.39Å; Q358-R361 PolarHBondContact O-N 3.38Å; Q358-E362 PolarHBondContact O-N 2.91Å
359	V	45.2	Very low	55.6	Low	117 Å²	117	94.1 Å²	94.1	71%	0.709	55%	0.546	S	S	*	.	H	α-helix	trans	-64.4	-24.5	172.5	171.2	0	0	0	0	111.6	E355 L356 R361	E355-V359 WeakPolarHBondContact O-CG2 3.21Å; E355-V359 PolarHBondContact O-N 2.91Å; L356-V359 PolarHBondContact O-N 2.98Å; V359-R361 VanDerWaalsContact C-N 3.34Å
360	V	43.6	Very low	54.1	Low	118 Å²	118	94.5 Å²	94.5	72%	0.715	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	2.1	170.6	174.7	0	0	0	0	112.7	L356 Q358	L356-V360 WeakPolarHBondContact O-CB 3.1Å; L356-V360 VanDerWaalsContact O-CG2 3.31Å; L356-V360 WeakPolarHBondContact O-CG2 3.29Å; L356-V360 PolarHBondContact O-N 2.82Å; Q358-V360 PolarHBondContact O-N 2.89Å
361	R	47.6	Very low	53.4	Low	213 Å²	213	94.8 Å²	94.8	80%	0.804	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	4.1	-173.3	-86.6	-77.4	-179.6	141.1	-3.3	116.5	G357 Q358 V359	G357-R361 VanDerWaalsContact O-CB 3.31Å; G357-R361 WeakPolarHBondContact O-CB 3.45Å; G357-R361 VanDerWaalsContact O-CG 3.3Å; G357-R361 WeakPolarHBondContact O-CG 3.35Å; Q358-R361 CarbonylContact O-C 3.54Å; Q358-R361 WeakPolarHBondContact O-CA 3.39Å; Q358-R361 PolarHBondContact O-N 3.38Å; V359-R361 VanDerWaalsContact C-N 3.34Å
362	E	34.8	Very low	52.5	Low	155 Å²	155	97.8 Å²	97.8	72%	0.724	56%	0.557	S	S	*	*	S	Bend	trans	-92	156.9	155.3	-93.4	-70.8	103.4	0	0	109.8	Q358	Q358-E362 PolarHBondContact O-N 2.91Å
363	P	42.8	Very low	51.9	Low	104 Å²	104	100.3 Å²	100.3	68%	0.675	56%	0.564	S	S	*	*			trans	-75.4	134.4	-147.7	26.3	-35	0	0	0	115	G365	P363-G365 PolarHBondContact O-N 2.91Å
364	T	40.4	Very low	51.6	Low	104 Å²	104	101 Å²	101	64%	0.638	56%	0.562	S	S	*	*			trans	-71.6	36.2	170.6	44.3	0	0	0	0	113.7	S366 V368	T364-S366 VanDerWaalsContact C-N 3.34Å; T364-S366 PolarHBondContact O-N 3.43Å; T364-V368 WeakPolarHBondContact O-CG2 3.31Å; T364-V368 PolarHBondContact O-N 3Å
365	G	45.5	Very low	50.8	Low	42 Å²	42	102 Å²	102	43%	0.433	56%	0.564	S	S	.	*	H	α-helix	trans	-62.8	-31.8	-174.4	0	0	0	0	0	114.7	P363 S369	P363-G365 PolarHBondContact O-N 2.91Å; G365-S369 WeakPolarHBondContact O-CB 3.41Å; G365-S369 PolarHBondContact O-N 2.93Å; G365-S369 PolarHBondContact O-OG 2.85Å
366	S	49.1	Very low	51	Low	89 Å²	89	105.6 Å²	105.6	62%	0.622	58%	0.579	S	S	*	*	H	α-helix	trans	-74	-61.8	177.9	-161.2	0	0	0	0	111.7	T364 V368 S369 D370	T364-S366 VanDerWaalsContact C-N 3.34Å; T364-S366 PolarHBondContact O-N 3.43Å; S366-V368 VanDerWaalsContact C-N 3.28Å; S366-V368 PolarHBondContact O-N 3.21Å; S366-S369 WeakPolarHBondContact O-CA 3.39Å; S366-S369 WeakPolarHBondContact O-CB 3.46Å; S366-S369 PolarHBondContact O-N 3.34Å; S366-D370 PolarHBondContact O-N 3.28Å; S366-D370 PolarHBondContact OG-OD2 3.37Å
367	A	48.5	Very low	51	Low	60 Å²	60	105.8 Å²	105.8	50%	0.496	58%	0.577	S	S	.	*	H	α-helix	trans	-62.1	-32.3	-172	0	0	0	0	0	113.7	L371	A367-L371 WeakPolarHBondContact O-CB 3.48Å; A367-L371 WeakPolarHBondContact O-CG 3.45Å; A367-L371 PolarHBondContact O-N 3.46Å; A367-L371 VanDerWaalsContact O-N 3.08Å
368	V	51.5	Low	51.1	Low	67 Å²	67	109.1 Å²	109.1	41%	0.406	59%	0.585	S	S	.	*	H	α-helix	trans	-71.8	-37.7	173.8	177.9	0	0	0	0	111.2	T364 S366 Q372	T364-V368 WeakPolarHBondContact O-CG2 3.31Å; T364-V368 PolarHBondContact O-N 3Å; S366-V368 VanDerWaalsContact C-N 3.28Å; S366-V368 PolarHBondContact O-N 3.21Å; V368-Q372 HydrophobicContact CG1-CG 4.46Å; V368-Q372 WeakPolarHBondContact O-CB 3.05Å; V368-Q372 VanDerWaalsContact O-CG 3.31Å; V368-Q372 WeakPolarHBondContact O-CG 3.05Å; V368-Q372 PolarHBondContact O-N 3.16Å
369	S	55.6	Low	51.4	Low	67 Å²	67	109.8 Å²	109.8	47%	0.469	59%	0.588	S	S	.	*	H	α-helix	trans	-64.1	-43.6	174.8	-62.5	0	0	0	0	111.5	G365 S366 Q372 K373	G365-S369 WeakPolarHBondContact O-CB 3.41Å; G365-S369 PolarHBondContact O-N 2.93Å; G365-S369 PolarHBondContact O-OG 2.85Å; S366-S369 WeakPolarHBondContact O-CA 3.39Å; S366-S369 WeakPolarHBondContact O-CB 3.46Å; S366-S369 PolarHBondContact O-N 3.34Å; S369-Q372 PolarHBondContact O-N 3.01Å; S369-K373 VanDerWaalsContact O-CB 3.26Å; S369-K373 WeakPolarHBondContact O-CB 3.44Å; S369-K373 PolarHBondContact O-N 2.88Å
370	D	52.2	Low	51.7	Low	77 Å²	77	112.8 Å²	112.8	41%	0.412	59%	0.592	S	S	.	*	H	α-helix	trans	-66	-41.8	178.9	-65.7	-46.3	0	0	0	111.7	S366 K373 I374	S366-D370 PolarHBondContact O-N 3.28Å; S366-D370 PolarHBondContact OG-OD2 3.37Å; D370-K373 WeakPolarHBondContact O-CB 3.3Å; D370-K373 PolarHBondContact O-N 3.49Å; D370-I374 VanDerWaalsContact O-CG1 3.31Å; D370-I374 WeakPolarHBondContact O-CG1 3.29Å; D370-I374 PolarHBondContact O-N 2.86Å
371	L	58.4	Low	51.6	Low	121 Å²	121	113.8 Å²	113.8	63%	0.634	59%	0.592	S	S	*	*	H	α-helix	trans	-63.7	-40.3	173.1	-77.7	169	0	0	0	112.8	A367 K373 I374 N375	A367-L371 WeakPolarHBondContact O-CB 3.48Å; A367-L371 WeakPolarHBondContact O-CG 3.45Å; A367-L371 PolarHBondContact O-N 3.46Å; A367-L371 VanDerWaalsContact O-N 3.08Å; L371-K373 VanDerWaalsContact C-N 3.3Å; L371-K373 PolarHBondContact O-N 2.61Å; L371-I374 PolarHBondContact O-N 2.74Å; L371-N375 PolarHBondContact O-N 2.82Å
372	Q	56.5	Low	51.7	Low	127 Å²	127	112 Å²	112	59%	0.593	59%	0.593	S	S	*	*	H	α-helix	trans	-68.8	-29.2	175	-74.8	179.8	-10.6	0	0	112.8	V368 S369 K376	V368-Q372 HydrophobicContact CG1-CG 4.46Å; V368-Q372 WeakPolarHBondContact O-CB 3.05Å; V368-Q372 VanDerWaalsContact O-CG 3.31Å; V368-Q372 WeakPolarHBondContact O-CG 3.05Å; V368-Q372 PolarHBondContact O-N 3.16Å; S369-Q372 PolarHBondContact O-N 3.01Å; Q372-K376 WeakPolarHBondContact O-CB 3.46Å; Q372-K376 PolarHBondContact O-N 2.76Å
373	K	63	Low	51.7	Low	140 Å²	140	110.6 Å²	110.6	61%	0.609	60%	0.595	S	S	*	*	H	α-helix	trans	-71.9	-44.2	175.3	-164.1	177.2	-177.3	-173.9	0	111.2	S369 D370 L371 K376 E377	S369-K373 VanDerWaalsContact O-CB 3.26Å; S369-K373 WeakPolarHBondContact O-CB 3.44Å; S369-K373 PolarHBondContact O-N 2.88Å; D370-K373 WeakPolarHBondContact O-CB 3.3Å; D370-K373 PolarHBondContact O-N 3.49Å; L371-K373 VanDerWaalsContact C-N 3.3Å; L371-K373 PolarHBondContact O-N 2.61Å; K373-K376 PolarHBondContact O-N 2.8Å; K373-E377 PolarHBondContact O-N 3.14Å
374	I	60.7	Low	51.1	Low	91 Å²	91	109.6 Å²	109.6	47%	0.467	59%	0.591	S	S	.	*	H	α-helix	trans	-60.3	-45.1	172.3	-69.9	163.7	0	0	0	110.8	D370 L371 K376 E377 L378	D370-I374 VanDerWaalsContact O-CG1 3.31Å; D370-I374 WeakPolarHBondContact O-CG1 3.29Å; D370-I374 PolarHBondContact O-N 2.86Å; L371-I374 PolarHBondContact O-N 2.74Å; I374-K376 VanDerWaalsContact C-N 3.32Å; I374-K376 PolarHBondContact O-N 3.35Å; I374-E377 PolarHBondContact O-N 3.08Å; I374-E377 VanDerWaalsContact O-N 3.13Å; I374-L378 HydrophobicContact CG2-CD1 4.06Å; I374-L378 PolarHBondContact O-N 2.96Å
375	N	55.8	Low	50.8	Low	99 Å²	99	111.1 Å²	111.1	53%	0.529	60%	0.595	S	S	.	*	H	α-helix	trans	-63.5	-37.7	177.5	-127.3	-4.4	0	0	0	111.9	L371 E377 L378 E379	L371-N375 PolarHBondContact O-N 2.82Å; N375-E377 VanDerWaalsContact C-N 3.33Å; N375-E377 PolarHBondContact O-N 2.6Å; N375-L378 WeakPolarHBondContact O-CB 3.48Å; N375-L378 PolarHBondContact O-N 3.43Å; N375-E379 WeakPolarHBondContact O-CG 3.34Å; N375-E379 PolarHBondContact O-N 3.36Å
376	K	63.3	Low	50.1	Low	145 Å²	145	116.5 Å²	116.5	63%	0.63	61%	0.614	S	S	*	*	H	α-helix	trans	-72.2	-18.8	173.6	-86	-174.1	171	179.2	0	115.1	Q372 K373 I374 K380	Q372-K376 WeakPolarHBondContact O-CB 3.46Å; Q372-K376 PolarHBondContact O-N 2.76Å; K373-K376 PolarHBondContact O-N 2.8Å; I374-K376 VanDerWaalsContact C-N 3.32Å; I374-K376 PolarHBondContact O-N 3.35Å; K376-K380 WeakPolarHBondContact O-CB 3.47Å; K376-K380 WeakPolarHBondContact O-CG 3.35Å; K376-K380 PolarHBondContact O-N 2.77Å
377	E	56.9	Low	49.3	Very low	122 Å²	122	119.7 Å²	119.7	57%	0.57	62%	0.619	S	S	*	*	H	α-helix	trans	-80.4	-39.5	167.5	-75.2	-173.3	139.1	0	0	111	K373 I374 N375 K380 L381	K373-E377 PolarHBondContact O-N 3.14Å; I374-E377 PolarHBondContact O-N 3.08Å; I374-E377 VanDerWaalsContact O-N 3.13Å; N375-E377 VanDerWaalsContact C-N 3.33Å; N375-E377 PolarHBondContact O-N 2.6Å; E377-K380 WeakPolarHBondContact O-CB 3.36Å; E377-K380 PolarHBondContact O-N 3.26Å; E377-K380 VanDerWaalsContact O-N 3.08Å; E377-L381 WeakPolarHBondContact O-CG 3.14Å; E377-L381 PolarHBondContact O-N 2.85Å
378	L	54.7	Low	48.6	Very low	107 Å²	107	120.7 Å²	120.7	56%	0.56	62%	0.622	S	S	*	*	H	α-helix	trans	-59.4	-47.6	171.9	-87.8	151.4	0	0	0	112.5	I374 N375 K380 L381	I374-L378 HydrophobicContact CG2-CD1 4.06Å; I374-L378 PolarHBondContact O-N 2.96Å; N375-L378 WeakPolarHBondContact O-CB 3.48Å; N375-L378 PolarHBondContact O-N 3.43Å; L378-K380 PolarHBondContact O-N 3.49Å; L378-L381 PolarHBondContact O-N 3.35Å
379	E	52.6	Low	47.7	Very low	141 Å²	141	122.9 Å²	122.9	66%	0.659	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-20.2	174	-71.8	179.4	155.3	0	0	113.2	N375	N375-E379 WeakPolarHBondContact O-CG 3.34Å; N375-E379 PolarHBondContact O-N 3.36Å
380	K	51.3	Low	46.5	Very low	179 Å²	179	127.9 Å²	127.9	78%	0.778	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-9.3	177.3	-97	-169.9	167.7	-167	0	114.8	K376 E377 L378	K376-K380 WeakPolarHBondContact O-CB 3.47Å; K376-K380 WeakPolarHBondContact O-CG 3.35Å; K376-K380 PolarHBondContact O-N 2.77Å; E377-K380 WeakPolarHBondContact O-CB 3.36Å; E377-K380 PolarHBondContact O-N 3.26Å; E377-K380 VanDerWaalsContact O-N 3.08Å; L378-K380 PolarHBondContact O-N 3.49Å
381	L	43.3	Very low	45.5	Very low	140 Å²	140	128.5 Å²	128.5	73%	0.733	66%	0.659	S	S	*	*			trans	-104.3	12	-175.9	-72.1	169.4	0	0	0	113.6	E377 L378 V383	E377-L381 WeakPolarHBondContact O-CG 3.14Å; E377-L381 PolarHBondContact O-N 2.85Å; L378-L381 PolarHBondContact O-N 3.35Å; L381-V383 PolarHBondContact O-N 3.14Å
382	Q	48.5	Very low	44	Very low	174 Å²	174	129.8 Å²	129.8	81%	0.813	67%	0.667	S	S	*	*			trans	-93.4	64.4	175.5	-67.4	-164.1	-35	0	0	112.9
383	V	34.5	Very low	42.6	Very low	127 Å²	127	129 Å²	129	77%	0.77	68%	0.675	S	S	*	*			trans	-151.3	124.6	170.4	-173.9	0	0	0	0	106.2	L381	L381-V383 PolarHBondContact O-N 3.14Å
384	S	30.6	Very low	41.8	Very low	83 Å²	83	127.7 Å²	127.7	58%	0.58	68%	0.681	S	S	*	*			cis	-161.1	178.4	-2.3	49.5	0	0	0	0	111.2
385	D	33.9	Very low	40.2	Very low	136 Å²	136	128.3 Å²	128.3	73%	0.727	69%	0.693	S	S	*	*			trans	72.2	131.1	153.4	-45.6	-41.9	0	0	0	122.2
386	D	32.3	Very low	39	Very low	155 Å²	155	128.6 Å²	128.6	83%	0.829	70%	0.703	S	S	*	*			trans	50.7	154.5	153.5	-68.8	-44.7	0	0	0	121.8
387	E	31	Very low	37.2	Very low	156 Å²	156	127.9 Å²	127.9	73%	0.729	71%	0.711	S	S	*	*			cis	-145.9	-179.2	18.9	-142.2	-83.6	98.9	0	0	111.9
388	S	35.2	Very low	35.8	Very low	80 Å²	80	125.9 Å²	125.9	56%	0.559	72%	0.716	S	S	*	*			trans	-60	168.1	175.1	-153.9	0	0	0	0	113.9
389	V	32.2	Very low	35.4	Very low	113 Å²	113	126.2 Å²	126.2	69%	0.685	72%	0.724	S	S	*	*				-169.3	126	76.7	155	0	0	0	0	111.7
390	F	29.4	Very low	34.2	Very low	173 Å²	173	125.6 Å²	125.6	76%	0.759	73%	0.725	S	S	*	*			trans	46.2	111.9	150.5	-77.1	-102.5	0	0	0	120.6
391	S	32.2	Very low	33	Very low	90 Å²	90	123.1 Å²	123.1	63%	0.629	73%	0.725	S	S	*	*				98.3	146.4	99.3	-91.4	0	0	0	0	114.2
392	D	25.6	Very low	32.2	Very low	148 Å²	148	121.1 Å²	121.1	79%	0.791	72%	0.722	S	S	*	*			cis	-139.2	175.9	5.4	-91.2	-36.8	0	0	0	112.7
393	S	27.5	Very low	31.1	Very low	110 Å²	110	122.8 Å²	122.8	77%	0.769	73%	0.727	S	S	*	*			trans	-115	-174.2	174.7	-65.2	0	0	0	0	110.2
394	P	47	Very low	30.7	Very low	112 Å²	112	119.8 Å²	119.8	73%	0.727	72%	0.722	S	S	*	*			cis	-143.5	-173.7	6.7	43.3	-23.2	0	0	0	117.9
395	S	27.2	Very low	30.5	Very low	105 Å²	105	121.1 Å²	121.1	73%	0.734	74%	0.738	S	S	*	*			trans	68.4	126.4	157.8	48	0	0	0	0	119.2
396	S	29.3	Very low	30.2	Very low	105 Å²	105	124.2 Å²	124.2	73%	0.734	75%	0.745	S	S	*	*				84	140.8	51.1	-162	0	0	0	0	111.8
397	T	27	Very low	29.9	Very low	129 Å²	129	121.1 Å²	121.1	79%	0.791	74%	0.741	S	S	*	*			cis	-156.8	168.2	30.5	-35.5	0	0	0	0	112.3
398	A	26.7	Very low	29.7	Very low	81 Å²	81	124.4 Å²	124.4	67%	0.669	75%	0.746	S	S	*	*			trans	-97.2	-152.7	161.7	0	0	0	0	0	109.9
399	P	46.3	Very low	29.2	Very low	113 Å²	113	127 Å²	127	73%	0.734	75%	0.754	S	S	*	*			cis	-120.4	-135.2	-24	27	-0.5	0	0	0	109.2
400	D	27.2	Very low	29	Very low	128 Å²	128	128.8 Å²	128.8	68%	0.684	76%	0.759	S	S	*	*			cis	-165.8	172.8	-4.1	-144.1	-40.4	0	0	0	111.8
401	T	27	Very low	28.8	Very low	127 Å²	127	128 Å²	128	78%	0.779	76%	0.757	S	S	*	*			trans	63.7	174.3	156.7	58.2	0	0	0	0	120.8
402	C	25.1	Very low	28.4	Very low	98 Å²	98	130.9 Å²	130.9	66%	0.662	77%	0.765	S	S	*	*				-173.2	164.2	-52.8	-162.7	0	0	0	0	109.6
403	F	26.1	Very low	29.1	Very low	209 Å²	209	128.3 Å²	128.3	92%	0.917	76%	0.757	S	S	*	*			trans	62	160.2	178	-65.7	-91.7	0	0	0	116.2
404	G	25.2	Very low	28.9	Very low	65 Å²	65	131.5 Å²	131.5	67%	0.67	76%	0.759	S	S	*	*			cis	169.6	171.8	-11.4	0	0	0	0	0	114.2
405	A	28	Very low	27.9	Very low	111 Å²	111	133.7 Å²	133.7	92%	0.917	76%	0.76	S	S	*	*			trans	65.3	148	161.4	0	0	0	0	0	121.8
406	K	26.1	Very low	28	Very low	201 Å²	201	135.1 Å²	135.1	87%	0.874	76%	0.755	S	S	*	*			trans	-91.4	170.7	-173.4	-53.7	164.9	178	173.4	0	112.6
407	A	26.2	Very low	28	Very low	89 Å²	89	138.7 Å²	138.7	74%	0.736	76%	0.76	S	S	*	*			trans	87.8	105.6	137.6	0	0	0	0	0	120.6
408	R	28.2	Very low	28	Very low	225 Å²	225	137.5 Å²	137.5	85%	0.849	76%	0.763	S	S	*	*				63.1	128.6	114.1	-85.7	-168.2	-167.3	160.7	2.7	122.6
409	D	24.3	Very low	28.1	Very low	134 Å²	134	141.8 Å²	141.8	72%	0.717	77%	0.773	S	S	*	*			trans	102.7	136.9	132.2	-61.9	-15.6	0	0	0	120.7
410	L	27.7	Very low	27.5	Very low	152 Å²	152	145.5 Å²	145.5	80%	0.796	78%	0.781	S	S	*	*			trans	84	90.2	161.6	-60.1	168.3	0	0	0	122.2
411	Q	25.1	Very low	27.6	Very low	155 Å²	155	150.8 Å²	150.8	72%	0.724	79%	0.791	S	S	*	*				102.2	113.5	100.1	-161.2	165.7	20.7	0	0	122
412	L	22.7	Very low	27.9	Very low	151 Å²	151	153.7 Å²	153.7	79%	0.791	80%	0.796	S	S	*	*			trans	68.6	160.2	153.1	-74.2	174.2	0	0	0	120.1
413	P	40.9	Very low	28.2	Very low	95 Å²	95	158.6 Å²	158.6	62%	0.617	81%	0.809	S	S	*	*			cis	-130.7	-178.6	-11	37.7	-19.7	0	0	0	116.4
414	E	23.8	Very low	28.4	Very low	176 Å²	176	152 Å²	152	82%	0.822	80%	0.8	S	S	*	*			trans	87.5	147.7	141.8	-90.8	167.9	144.7	0	0	126
415	E	25.8	Very low	28.7	Very low	158 Å²	158	156.9 Å²	156.9	74%	0.738	81%	0.811	S	S	*	*			trans	59.3	115.7	161.4	-70.1	-136.4	80.6	0	0	125.6
416	Q	29.2	Very low	29	Very low	136 Å²	136	162.2 Å²	162.2	64%	0.636	81%	0.809	S	S	*	*				53.5	103.6	123.1	-96.4	60.3	-3.3	0	0	122.5
417	Q	29.9	Very low	29.2	Very low	179 Å²	179	161.6 Å²	161.6	84%	0.836	80%	0.801	S	S	*	*				51.3	113	122.4	-64.7	-177.6	-5.1	0	0	120.3
418	A	27	Very low	29.5	Very low	104 Å²	104	163.1 Å²	163.1	86%	0.86	81%	0.806	S	S	*	*			trans	-80.6	156.6	168.3	0	0	0	0	0	113.6
419	I	27.5	Very low	29.7	Very low	172 Å²	172	158.3 Å²	158.3	88%	0.882	79%	0.793	S	S	*	*			trans	-110.2	144.7	168.9	-70.9	179.1	0	0	0	110.6
420	Q	33.3	Very low	30.2	Very low	190 Å²	190	157 Å²	157	89%	0.888	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-80.2	155.1	-167.5	-165.4	165.9	0.2	0	0	113.8
421	R	30.7	Very low	31.4	Very low	240 Å²	240	155.3 Å²	155.3	91%	0.906	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-78	152.8	-175	-61.7	-178.4	78.1	172.8	4.8	113.2
422	Q	32.1	Very low	31.8	Very low	187 Å²	187	152.2 Å²	152.2	87%	0.874	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-65.5	145.2	175.8	-57.7	163.2	-1	0	0	112.8
423	Q	33.2	Very low	32.4	Very low	201 Å²	201	153.2 Å²	153.2	94%	0.939	80%	0.798	S	S	*	*			trans	-135.4	149.9	131.5	-73.9	-164.9	4.5	0	0	108.4
424	G	30	Very low	32.3	Very low	71 Å²	71	153.5 Å²	153.5	73%	0.732	80%	0.802	S	S	*	*			trans	-148.7	144.6	176.8	0	0	0	0	0	110.8
425	N	30.7	Very low	32.9	Very low	168 Å²	168	153.4 Å²	153.4	90%	0.898	81%	0.806	S	S	*	*			trans	-133.1	139.7	171.4	-106.7	-9.2	0	0	0	109.2
426	Y	33.6	Very low	33.7	Very low	222 Å²	222	153.6 Å²	153.6	87%	0.871	81%	0.812	S	S	*	*			trans	-77.5	121.4	-177.1	-70.2	-89.2	0	0	0	110
427	R	31.5	Very low	33.9	Very low	189 Å²	189	152.9 Å²	152.9	71%	0.713	82%	0.822	S	S	*	*				80.6	107.9	83.5	-167.6	-164.7	-154.6	-139.6	8.1	113.8	H429	R427-H429 VanDerWaalsContact CZ-NE2 3.33Å; R427-H429 PolarHBondContact NE-NE2 2.75Å
428	S	32.7	Very low	34.7	Very low	120 Å²	120	150.4 Å²	150.4	84%	0.839	83%	0.825	S	S	*	*			trans	-159.7	87.7	150.2	-83	0	0	0	0	112.2
429	H	32.7	Very low	35.2	Very low	124 Å²	124	149.9 Å²	149.9	57%	0.574	82%	0.82	S	S	*	*			trans	19.6	111.2	149	-57.8	-77.6	0	0	0	121.8	R427	R427-H429 VanDerWaalsContact CZ-NE2 3.33Å; R427-H429 PolarHBondContact NE-NE2 2.75Å
430	S	33.6	Very low	36.4	Very low	108 Å²	108	147.6 Å²	147.6	76%	0.755	82%	0.817	S	S	*	*				58.3	155.2	108.4	-58.5	0	0	0	0	122.6
431	P	53	Low	37.2	Very low	116 Å²	116	144.3 Å²	144.3	75%	0.753	82%	0.815	S	S	*	*			cis	-139.7	160.8	-19.7	35.9	-16.3	0	0	0	117.6
432	A	33.6	Very low	38	Very low	89 Å²	89	138 Å²	138	74%	0.736	81%	0.805	S	S	*	*			trans	40.9	125.1	139.4	0	0	0	0	0	123.6
433	I	35.6	Very low	39.2	Very low	173 Å²	173	132.2 Å²	132.2	89%	0.887	79%	0.785	S	S	*	*				-132.6	141.2	127.7	-58.3	-178.2	0	0	0	107.6
434	S	38	Very low	40.3	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	78%	0.775	S	S	*	*			trans	-102.7	140.3	175.2	-57.5	0	0	0	0	111.6
435	L	37	Very low	41.5	Very low	174 Å²	174	131.9 Å²	131.9	91%	0.911	77%	0.773	S	S	*	*			trans	-144.1	141.3	150.1	-81.7	-174.1	0	0	0	110.4
436	N	42	Very low	42.6	Very low	161 Å²	161	129.7 Å²	129.7	86%	0.861	76%	0.757	S	S	*	*			trans	-86	146.1	176.7	-61.2	-23.3	0	0	0	110.6
437	S	34.3	Very low	43.7	Very low	121 Å²	121	127.9 Å²	127.9	85%	0.846	75%	0.748	S	S	*	*			trans	-148.1	128.4	152.8	53.5	0	0	0	0	110.7
438	S	46.2	Very low	45	Very low	128 Å²	128	121.6 Å²	121.6	90%	0.895	74%	0.737	S	S	*	*			trans	-86.1	139.2	179.2	-53.7	0	0	0	0	110.6
439	A	38.6	Very low	46.4	Very low	92 Å²	92	122.7 Å²	122.7	76%	0.76	73%	0.726	S	S	*	*			trans	-131.5	141.2	170.6	0	0	0	0	0	110.4
440	P	51.4	Low	47.9	Very low	125 Å²	125	119.3 Å²	119.3	81%	0.812	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-79.4	155.1	-172.2	32.2	-36.1	0	0	0	113.3
441	S	50.3	Low	49.6	Very low	120 Å²	120	119.3 Å²	119.3	84%	0.839	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-66.6	132.9	175.8	-48.7	0	0	0	0	111.9
442	P	48.2	Very low	50.4	Low	107 Å²	107	119.2 Å²	119.2	70%	0.695	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-73.9	146	177	30.4	-34.7	0	0	0	111.8	H446	P442-H446 HydrophobicContact CB-CB 4.3Å
443	S	57.6	Low	52.2	Low	67 Å²	67	116.4 Å²	116.4	47%	0.469	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-71.5	162.6	-178.4	70.4	0	0	0	0	113.3	H445 H446	S443-H445 PolarHBondContact O-N 2.87Å; S443-H446 PolarHBondContact O-N 3.43Å
444	T	56.6	Low	54.1	Low	117 Å²	117	114.5 Å²	114.5	72%	0.718	66%	0.664	S	S	*	*	H	α-helix	trans	-54.5	-28.6	-176.8	1.8	0	0	0	0	114.1	H446 R447 A448	T444-H446 VanDerWaalsContact C-N 3.31Å; T444-H446 PolarHBondContact O-N 2.89Å; T444-R447 PolarHBondContact O-N 3.22Å; T444-A448 PolarHBondContact O-N 2.93Å
445	H	53.7	Low	55.9	Low	148 Å²	148	116.3 Å²	116.3	69%	0.685	66%	0.661	S	S	*	*	H	α-helix	trans	-63.4	-31.2	175.9	-85	-68.8	0	0	0	113.8	S443 A448 K449	S443-H445 PolarHBondContact O-N 2.87Å; H445-A448 PolarHBondContact O-N 3.48Å; H445-K449 PolarHBondContact O-N 2.85Å
446	H	55.5	Low	58	Low	122 Å²	122	111.3 Å²	111.3	57%	0.565	64%	0.635	S	S	*	*	H	α-helix	trans	-71	-32.4	177.4	-70	-85.5	0	0	0	112	P442 S443 T444 A450	P442-H446 HydrophobicContact CB-CB 4.3Å; S443-H446 PolarHBondContact O-N 3.43Å; T444-H446 VanDerWaalsContact C-N 3.31Å; T444-H446 PolarHBondContact O-N 2.89Å; H446-A450 VanDerWaalsContact O-CB 3.32Å; H446-A450 WeakPolarHBondContact O-CB 3.38Å; H446-A450 PolarHBondContact O-N 2.85Å
447	R	56.3	Low	59.8	Low	184 Å²	184	110.4 Å²	110.4	69%	0.694	62%	0.624	S	S	*	*	H	α-helix	trans	-67.4	-39.4	175.2	-179.7	171.9	-77.9	137.7	-3.9	111.8	T444 A450 L451	T444-R447 PolarHBondContact O-N 3.22Å; R447-A450 PolarHBondContact O-N 3.02Å; R447-L451 HydrophobicContact CG-CD1 4.36Å; R447-L451 WeakPolarHBondContact O-CG 3.45Å; R447-L451 PolarHBondContact O-N 2.81Å; R447-L451 VanDerWaalsContact O-N 3.15Å
448	A	59.1	Low	62.2	Low	57 Å²	57	111.6 Å²	111.6	47%	0.471	62%	0.616	S	S	.	*	H	α-helix	trans	-61.1	-52.2	175.3	0	0	0	0	0	111.6	T444 H445 A450 L451 E452	T444-A448 PolarHBondContact O-N 2.93Å; H445-A448 PolarHBondContact O-N 3.48Å; A448-A450 VanDerWaalsContact C-N 3.28Å; A448-A450 PolarHBondContact O-N 2.68Å; A448-L451 PolarHBondContact O-N 2.74Å; A448-L451 VanDerWaalsContact O-N 3.15Å; A448-E452 WeakPolarHBondContact O-CB 3.45Å; A448-E452 PolarHBondContact O-N 2.94Å
449	K	61.1	Low	64	Low	143 Å²	143	110.2 Å²	110.2	62%	0.622	60%	0.595	S	S	*	*	H	α-helix	trans	-64.2	-28.8	178.5	-68.3	-167.1	171.9	-165.9	0	113.8	H445 S453	H445-K449 PolarHBondContact O-N 2.85Å; K449-S453 VanDerWaalsContact O-CB 3.27Å; K449-S453 WeakPolarHBondContact O-CB 3.35Å; K449-S453 PolarHBondContact O-N 2.73Å
450	A	64.3	Low	66.1	Low	53 Å²	53	107.2 Å²	107.2	44%	0.438	57%	0.568	S	S	.	*	H	α-helix	trans	-68.4	-41.7	173.7	0	0	0	0	0	112.1	H446 R447 A448 S453 M454	H446-A450 VanDerWaalsContact O-CB 3.32Å; H446-A450 WeakPolarHBondContact O-CB 3.38Å; H446-A450 PolarHBondContact O-N 2.85Å; R447-A450 PolarHBondContact O-N 3.02Å; A448-A450 VanDerWaalsContact C-N 3.28Å; A448-A450 PolarHBondContact O-N 2.68Å; A450-S453 PolarHBondContact O-N 3.39Å; A450-M454 WeakPolarHBondContact O-CG 3.41Å; A450-M454 PolarHBondContact O-N 2.84Å
451	L	69.3	Low	67.6	Low	107 Å²	107	103.6 Å²	103.6	56%	0.56	55%	0.545	S	S	*	.	H	α-helix	trans	-66.7	-45.3	175.6	-68.5	168.1	0	0	0	111.4	R447 A448 S453 M454 Q455	R447-L451 HydrophobicContact CG-CD1 4.36Å; R447-L451 WeakPolarHBondContact O-CG 3.45Å; R447-L451 PolarHBondContact O-N 2.81Å; R447-L451 VanDerWaalsContact O-N 3.15Å; A448-L451 PolarHBondContact O-N 2.74Å; A448-L451 VanDerWaalsContact O-N 3.15Å; L451-S453 VanDerWaalsContact C-N 3.34Å; L451-S453 PolarHBondContact O-N 3Å; L451-M454 PolarHBondContact O-N 3.27Å; L451-M454 VanDerWaalsContact O-N 3.1Å; L451-Q455 WeakPolarHBondContact O-CB 3.41Å; L451-Q455 PolarHBondContact O-N 3.34Å
452	E	69.6	Low	69.3	Low	115 Å²	115	103 Å²	103	54%	0.537	53%	0.529	S	S	.	.	H	α-helix	trans	-56	-45.4	173.2	-175.2	176.5	-144.7	0	0	111.6	A448 M454 Q455 L456	A448-E452 WeakPolarHBondContact O-CB 3.45Å; A448-E452 PolarHBondContact O-N 2.94Å; E452-M454 VanDerWaalsContact C-N 3.35Å; E452-M454 PolarHBondContact O-N 3.23Å; E452-Q455 PolarHBondContact O-N 3.12Å; E452-L456 WeakPolarHBondContact O-CG 3.47Å; E452-L456 PolarHBondContact O-N 2.68Å
453	S	71.4	Confident	71.2	Confident	30 Å²	30	98.3 Å²	98.3	21%	0.21	50%	0.498	C	S	.	.	H	α-helix	trans	-68.4	-27.9	175.5	-177.4	0	0	0	0	114.1	K449 A450 L451 K457	K449-S453 VanDerWaalsContact O-CB 3.27Å; K449-S453 WeakPolarHBondContact O-CB 3.35Å; K449-S453 PolarHBondContact O-N 2.73Å; A450-S453 PolarHBondContact O-N 3.39Å; L451-S453 VanDerWaalsContact C-N 3.34Å; L451-S453 PolarHBondContact O-N 3Å; S453-K457 WeakPolarHBondContact O-CD 2.98Å; S453-K457 VanDerWaalsContact O-CG 3.27Å; S453-K457 WeakPolarHBondContact O-CG 3.48Å; S453-K457 PolarHBondContact O-N 3.41Å
454	M	74.9	Confident	72.6	Confident	133 Å²	133	99.5 Å²	99.5	66%	0.655	50%	0.496	S	S	*	.	H	α-helix	trans	-73.5	-40.1	171.5	-75.1	-178.2	67.2	0	0	111.5	A450 L451 E452 K457 Q458	A450-M454 WeakPolarHBondContact O-CG 3.41Å; A450-M454 PolarHBondContact O-N 2.84Å; L451-M454 PolarHBondContact O-N 3.27Å; L451-M454 VanDerWaalsContact O-N 3.1Å; E452-M454 VanDerWaalsContact C-N 3.35Å; E452-M454 PolarHBondContact O-N 3.23Å; M454-K457 PolarHBondContact O-N 3.07Å; M454-Q458 PolarHBondContact O-N 3.24Å
455	Q	77.5	Confident	74.2	Confident	138 Å²	138	99.4 Å²	99.4	65%	0.645	49%	0.487	S	S	*	.	H	α-helix	trans	-65.7	-44.7	178.8	-170.4	167.5	-7.4	0	0	111.6	L451 E452 K457 Q458 E459	L451-Q455 WeakPolarHBondContact O-CB 3.41Å; L451-Q455 PolarHBondContact O-N 3.34Å; E452-Q455 PolarHBondContact O-N 3.12Å; Q455-K457 VanDerWaalsContact C-N 3.32Å; Q455-K457 PolarHBondContact O-N 3.24Å; Q455-Q458 WeakPolarHBondContact O-CB 3.48Å; Q455-Q458 PolarHBondContact O-N 3.27Å; Q455-Q458 VanDerWaalsContact O-N 3.16Å; Q455-E459 PolarHBondContact O-N 3.2Å
456	L	80.6	Confident	76	Confident	69 Å²	69	95.1 Å²	95.1	36%	0.361	47%	0.468	S	S	.	.	H	α-helix	trans	-59.3	-39.5	172.8	-73	168.5	0	0	0	112.5	E452 Q458 E459 V460 L641	E452-L456 WeakPolarHBondContact O-CG 3.47Å; E452-L456 PolarHBondContact O-N 2.68Å; L456-Q458 VanDerWaalsContact C-N 3.35Å; L456-E459 PolarHBondContact O-N 3.42Å; L456-V460 WeakPolarHBondContact O-CG2 3.39Å; L456-V460 PolarHBondContact O-N 2.88Å; L456-L641 HydrophobicContact CD2-CD2 3.8Å
457	K	79.8	Confident	77.7	Confident	143 Å²	143	92.1 Å²	92.1	62%	0.622	45%	0.451	S	S	*	.	H	α-helix	trans	-65.6	-36.8	175.6	-77.3	172.8	-179.2	179.6	0	112.8	S453 M454 Q455 S461	S453-K457 WeakPolarHBondContact O-CD 2.98Å; S453-K457 VanDerWaalsContact O-CG 3.27Å; S453-K457 WeakPolarHBondContact O-CG 3.48Å; S453-K457 PolarHBondContact O-N 3.41Å; M454-K457 PolarHBondContact O-N 3.07Å; Q455-K457 VanDerWaalsContact C-N 3.32Å; Q455-K457 PolarHBondContact O-N 3.24Å; K457-S461 PolarHBondContact O-N 3.34Å
458	Q	83.7	Confident	79.5	Confident	146 Å²	146	88 Å²	88	68%	0.682	44%	0.442	S	S	*	.	H	α-helix	trans	-68	-39.5	175.3	-172	174.9	1.9	0	0	111.5	M454 Q455 L456 S461 H462	M454-Q458 PolarHBondContact O-N 3.24Å; Q455-Q458 WeakPolarHBondContact O-CB 3.48Å; Q455-Q458 PolarHBondContact O-N 3.27Å; Q455-Q458 VanDerWaalsContact O-N 3.16Å; L456-Q458 VanDerWaalsContact C-N 3.35Å; Q458-S461 PolarHBondContact O-N 3.03Å; Q458-H462 WeakPolarHBondContact O-CB 3.34Å; Q458-H462 PolarHBondContact O-N 3.36Å
459	E	84.5	Confident	81.2	Confident	98 Å²	98	90.2 Å²	90.2	46%	0.458	44%	0.443	S	S	.	.	H	α-helix	trans	-67.9	-38.6	176.4	-168.4	167.4	-168	0	0	112.4	Q455 L456 H462 L463 L641	Q455-E459 PolarHBondContact O-N 3.2Å; L456-E459 PolarHBondContact O-N 3.42Å; E459-H462 PolarHBondContact O-N 2.83Å; E459-L463 WeakPolarHBondContact O-CG 3.38Å; E459-L463 PolarHBondContact O-N 3.22Å; E459-L641 HydrophobicContact CG-CD1 3.93Å
460	V	83.1	Confident	82.7	Confident	30 Å²	30	83.4 Å²	83.4	18%	0.182	41%	0.413	C	S	.	.	H	α-helix	trans	-63.8	-46.1	172.2	170.7	0	0	0	0	111.5	L456 H462 L463 E464 Y638 L641	L456-V460 WeakPolarHBondContact O-CG2 3.39Å; L456-V460 PolarHBondContact O-N 2.88Å; V460-H462 VanDerWaalsContact C-N 3.33Å; V460-H462 PolarHBondContact O-N 2.83Å; V460-L463 PolarHBondContact O-N 3.21Å; V460-L463 VanDerWaalsContact O-N 3.13Å; V460-E464 WeakPolarHBondContact O-CG 3.33Å; V460-E464 PolarHBondContact O-N 3.38Å; V460-Y638 HydrophobicContact CG1-CD2 4.26Å; V460-Y638 HydrophobicContact CG1-CE2 3.73Å; V460-L641 HydrophobicContact CG2-CB 4.34Å
461	S	81.9	Confident	84.1	Confident	49 Å²	49	83.5 Å²	83.5	34%	0.343	41%	0.406	S	S	.	.	H	α-helix	trans	-56	-47	174.8	-168.5	0	0	0	0	111.5	K457 Q458 L463 E464 E465	K457-S461 PolarHBondContact O-N 3.34Å; Q458-S461 PolarHBondContact O-N 3.03Å; S461-L463 VanDerWaalsContact C-N 3.31Å; S461-L463 PolarHBondContact O-N 3.42Å; S461-E464 WeakPolarHBondContact O-CB 3.34Å; S461-E464 PolarHBondContact O-N 3.37Å; S461-E464 VanDerWaalsContact O-N 3.12Å; S461-E465 WeakPolarHBondContact O-CG 3.4Å; S461-E465 PolarHBondContact O-N 2.83Å; S461-E465 PolarHBondContact OG-OE1 3.28Å
462	H	86.6	Confident	85.4	Confident	106 Å²	106	82.4 Å²	82.4	49%	0.491	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-37.8	177.6	179.6	-82.1	0	0	0	112.5	Q458 E459 V460 E465 E466	Q458-H462 WeakPolarHBondContact O-CB 3.34Å; Q458-H462 PolarHBondContact O-N 3.36Å; E459-H462 PolarHBondContact O-N 2.83Å; V460-H462 VanDerWaalsContact C-N 3.33Å; V460-H462 PolarHBondContact O-N 2.83Å; H462-E465 PolarHBondContact O-N 3.09Å; H462-E466 IonicContact CE1-OE2 3.24Å; H462-E466 PolarHBondContact O-N 2.91Å
463	L	89.1	Confident	86.6	Confident	10 Å²	10	79 Å²	79	5%	0.052	39%	0.387	C	S	.	.	H	α-helix	trans	-70.6	-33.9	174.5	-72.7	173.3	0	0	0	112.9	E459 V460 S461 R467 L634 K637 L641	E459-L463 WeakPolarHBondContact O-CG 3.38Å; E459-L463 PolarHBondContact O-N 3.22Å; V460-L463 PolarHBondContact O-N 3.21Å; V460-L463 VanDerWaalsContact O-N 3.13Å; S461-L463 VanDerWaalsContact C-N 3.31Å; S461-L463 PolarHBondContact O-N 3.42Å; L463-R467 WeakPolarHBondContact O-CB 3.42Å; L463-R467 PolarHBondContact O-N 3.26Å; L463-L634 HydrophobicContact CD2-CD2 3.63Å; L463-K637 HydrophobicContact CD1-CB 4.05Å; L463-K637 HydrophobicContact CD2-CB 4.43Å; L463-K637 HydrophobicContact CD2-CD 4.25Å; L463-L641 HydrophobicContact CD1-CD1 3.45Å; L463-L641 VanDerWaalsContact CD1-CD1 3.45Å
464	E	86.4	Confident	87.8	Confident	92 Å²	92	78.2 Å²	78.2	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-42.5	172	-69.5	-174.2	147.3	0	0	111.4	V460 S461 R467 I468 Y638	V460-E464 WeakPolarHBondContact O-CG 3.33Å; V460-E464 PolarHBondContact O-N 3.38Å; S461-E464 WeakPolarHBondContact O-CB 3.34Å; S461-E464 PolarHBondContact O-N 3.37Å; S461-E464 VanDerWaalsContact O-N 3.12Å; E464-R467 PolarHBondContact O-N 3.4Å; E464-I468 VanDerWaalsContact O-CG1 3.31Å; E464-I468 WeakPolarHBondContact O-CG1 3.44Å; E464-I468 PolarHBondContact O-N 3.29Å; E464-Y638 HydrophobicContact CG-CD2 4.27Å; E464-Y638 HydrophobicContact CG-CE2 3.85Å
465	E	89.9	Confident	88.8	Confident	114 Å²	114	76.3 Å²	76.3	53%	0.533	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-48.8	174.8	-70	161.8	-131.6	0	0	111.8	S461 H462 R467 I468 Q469	S461-E465 WeakPolarHBondContact O-CG 3.4Å; S461-E465 PolarHBondContact O-N 2.83Å; S461-E465 PolarHBondContact OG-OE1 3.28Å; H462-E465 PolarHBondContact O-N 3.09Å; E465-R467 VanDerWaalsContact C-N 3.28Å; E465-R467 PolarHBondContact O-N 3.3Å; E465-I468 PolarHBondContact O-N 3.4Å; E465-Q469 PolarHBondContact O-N 3.14Å
466	E	92.3	Very high	89.7	Confident	59 Å²	59	74.8 Å²	74.8	28%	0.276	36%	0.362	S	S	.	.	H	α-helix	trans	-58.6	-39.9	172.6	-82.6	-143.4	94.4	0	0	111.9	H462 Q469 V470 K630 L634	H462-E466 IonicContact CE1-OE2 3.24Å; H462-E466 PolarHBondContact O-N 2.91Å; E466-Q469 PolarHBondContact O-N 2.67Å; E466-V470 VanDerWaalsContact O-CG2 3.3Å; E466-V470 WeakPolarHBondContact O-CG2 3.19Å; E466-V470 PolarHBondContact O-N 2.83Å; E466-K630 IonicContact OE1-NZ 2.93Å; E466-K630 PolarHBondContact OE1-NZ 2.92Å; E466-L634 HydrophobicContact CB-CD1 3.92Å; E466-L634 HydrophobicContact CB-CD2 4.15Å
467	R	91.2	Very high	90.5	Very high	58 Å²	58	72.4 Å²	72.4	22%	0.219	35%	0.349	C	S	.	.	H	α-helix	trans	-66.1	-41.1	179.6	178.7	168	-178.4	-80.4	-1.8	111.8	L463 E464 E465 V470 L471 L631 L634 E635	L463-R467 WeakPolarHBondContact O-CB 3.42Å; L463-R467 PolarHBondContact O-N 3.26Å; E464-R467 PolarHBondContact O-N 3.4Å; E465-R467 VanDerWaalsContact C-N 3.28Å; E465-R467 PolarHBondContact O-N 3.3Å; R467-V470 PolarHBondContact O-N 2.68Å; R467-L471 HydrophobicContact CG-CD1 4.3Å; R467-L471 WeakPolarHBondContact O-CG 3.3Å; R467-L471 PolarHBondContact O-N 2.87Å; R467-L631 HydrophobicContact CG-CD1 3.68Å; R467-L634 HydrophobicContact CB-CD1 4.47Å; R467-E635 IonicContact CZ-OE1 3.53Å; R467-E635 VanDerWaalsContact CZ-OE1 3.24Å; R467-E635 IonicContact NE-OE1 2.78Å; R467-E635 PolarHBondContact NE-OE1 2.87Å; R467-E635 IonicContact NH2-OE1 3.42Å; R467-E635 PolarHBondContact NH2-OE1 2.97Å
468	I	92.9	Very high	91.2	Very high	97 Å²	97	68.4 Å²	68.4	50%	0.497	33%	0.333	S	S	.	.	H	α-helix	trans	-62.9	-45.7	174	-69.9	163.3	0	0	0	110.2	E464 E465 V470 L471 N472	E464-I468 VanDerWaalsContact O-CG1 3.31Å; E464-I468 WeakPolarHBondContact O-CG1 3.44Å; E464-I468 PolarHBondContact O-N 3.29Å; E465-I468 PolarHBondContact O-N 3.4Å; I468-V470 VanDerWaalsContact C-N 3.33Å; I468-V470 PolarHBondContact O-N 2.85Å; I468-L471 PolarHBondContact O-N 3.07Å; I468-N472 VanDerWaalsContact O-CG 3.3Å; I468-N472 PolarHBondContact O-N 3.42Å; I468-N472 PolarHBondContact O-ND2 2.81Å
469	Q	95.3	Very high	91.8	Very high	104 Å²	104	65 Å²	65	49%	0.486	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-40.2	177.8	-175.3	57.5	55.2	0	0	112.3	E465 E466 N472 N473	E465-Q469 PolarHBondContact O-N 3.14Å; E466-Q469 PolarHBondContact O-N 2.67Å; Q469-N472 PolarHBondContact O-N 3.45Å; Q469-N473 PolarHBondContact NE2-OD1 2.87Å; Q469-N473 PolarHBondContact O-N 3.17Å; Q469-N473 PolarHBondContact O-OD1 2.97Å; Q469-N473 VanDerWaalsContact O-OD1 3.1Å
470	V	93.5	Very high	92.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.6	-37	176.8	172.8	0	0	0	0	112	E466 R467 I468 N472 N473 I474 E627 K630 L631 L634	E466-V470 VanDerWaalsContact O-CG2 3.3Å; E466-V470 WeakPolarHBondContact O-CG2 3.19Å; E466-V470 PolarHBondContact O-N 2.83Å; R467-V470 PolarHBondContact O-N 2.68Å; I468-V470 VanDerWaalsContact C-N 3.33Å; I468-V470 PolarHBondContact O-N 2.85Å; V470-N472 VanDerWaalsContact C-N 3.34Å; V470-N473 PolarHBondContact O-N 3.26Å; V470-I474 HydrophobicContact CG1-CD1 3.97Å; V470-I474 WeakPolarHBondContact O-CB 3.22Å; V470-I474 VanDerWaalsContact O-CG1 3.27Å; V470-I474 WeakPolarHBondContact O-CG1 3.49Å; V470-I474 PolarHBondContact O-N 3.24Å; V470-E627 HydrophobicContact CG1-CB 4.32Å; V470-E627 WeakPolarHBondContact CG1-O 3.37Å; V470-K630 HydrophobicContact CG2-CD 3.57Å; V470-K630 HydrophobicContact CG2-CG 4.12Å; V470-L631 HydrophobicContact CG1-CB 3.83Å; V470-L634 HydrophobicContact CB-CD1 4.45Å; V470-L634 HydrophobicContact CG2-CD1 3.91Å
471	L	93.8	Very high	92.8	Very high	56 Å²	56	63.7 Å²	63.7	29%	0.293	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-38.6	173.1	-73.4	166.8	0	0	0	112.1	R467 I468 I474 E475 L631	R467-L471 HydrophobicContact CG-CD1 4.3Å; R467-L471 WeakPolarHBondContact O-CG 3.3Å; R467-L471 PolarHBondContact O-N 2.87Å; I468-L471 PolarHBondContact O-N 3.07Å; L471-I474 PolarHBondContact O-N 3.2Å; L471-E475 PolarHBondContact O-N 3.08Å; L471-L631 HydrophobicContact CD2-CD1 4.31Å; L471-L631 HydrophobicContact CD2-CD2 3.72Å; L471-L631 HydrophobicContact CG-CD1 4.22Å; L471-L631 HydrophobicContact CG-CD2 4.48Å
472	N	95.4	Very high	93.5	Very high	84 Å²	84	66.3 Å²	66.3	45%	0.449	31%	0.313	S	S	.	.	H	α-helix	trans	-65	-44.4	173.6	-65.1	-19.6	0	0	0	111.5	I468 Q469 V470 I474 E475 E476	I468-N472 VanDerWaalsContact O-CG 3.3Å; I468-N472 PolarHBondContact O-N 3.42Å; I468-N472 PolarHBondContact O-ND2 2.81Å; Q469-N472 PolarHBondContact O-N 3.45Å; V470-N472 VanDerWaalsContact C-N 3.34Å; N472-I474 VanDerWaalsContact C-N 3.28Å; N472-I474 PolarHBondContact O-N 3.04Å; N472-E475 PolarHBondContact O-N 2.79Å; N472-E476 PolarHBondContact O-N 3.04Å
473	N	95.8	Very high	93.7	Very high	44 Å²	44	64 Å²	64	24%	0.235	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-41.4	174.6	-64.3	-7.3	0	0	0	111.6	Q469 V470 E476 L477 E627	Q469-N473 PolarHBondContact NE2-OD1 2.87Å; Q469-N473 PolarHBondContact O-N 3.17Å; Q469-N473 PolarHBondContact O-OD1 2.97Å; Q469-N473 VanDerWaalsContact O-OD1 3.1Å; V470-N473 PolarHBondContact O-N 3.26Å; N473-E476 PolarHBondContact O-N 3.15Å; N473-L477 WeakPolarHBondContact O-CB 3.47Å; N473-L477 VanDerWaalsContact O-CG 3.28Å; N473-L477 WeakPolarHBondContact O-CG 3.3Å; N473-L477 PolarHBondContact O-N 2.88Å; N473-E627 HydrophobicContact CB-CG 4.22Å; N473-E627 PolarHBondContact ND2-OE2 2.95Å
474	I	96.4	Very high	93.8	Very high	13 Å²	13	64.2 Å²	64.2	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-45.2	177.7	-75.6	166.5	0	0	0	111	V470 L471 N472 L477 E478 L624 E627 R628 L631	V470-I474 HydrophobicContact CG1-CD1 3.97Å; V470-I474 WeakPolarHBondContact O-CB 3.22Å; V470-I474 VanDerWaalsContact O-CG1 3.27Å; V470-I474 WeakPolarHBondContact O-CG1 3.49Å; V470-I474 PolarHBondContact O-N 3.24Å; L471-I474 PolarHBondContact O-N 3.2Å; N472-I474 VanDerWaalsContact C-N 3.28Å; N472-I474 PolarHBondContact O-N 3.04Å; I474-L477 PolarHBondContact O-N 3.13Å; I474-E478 WeakPolarHBondContact O-CB 3.31Å; I474-E478 WeakPolarHBondContact O-CG 3.31Å; I474-E478 PolarHBondContact O-N 3.4Å; I474-L624 HydrophobicContact CB-CD1 4.25Å; I474-L624 HydrophobicContact CG1-CD1 4.25Å; I474-L624 HydrophobicContact CG2-CD1 3.88Å; I474-E627 HydrophobicContact CD1-CB 4.42Å; I474-E627 HydrophobicContact CG1-CB 3.82Å; I474-R628 HydrophobicContact CD1-CG 3.91Å; I474-R628 HydrophobicContact CG1-CG 4.26Å; I474-L631 HydrophobicContact CD1-CB 4.28Å; I474-L631 HydrophobicContact CD1-CD2 3.94Å
475	E	95.5	Very high	94	Very high	93 Å²	93	62.1 Å²	62.1	44%	0.435	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-42.9	176.3	176.2	153.1	-134.2	0	0	112.4	L471 N472 L477 E478 Q479 R665	L471-E475 PolarHBondContact O-N 3.08Å; N472-E475 PolarHBondContact O-N 2.79Å; E475-L477 VanDerWaalsContact C-N 3.33Å; E475-L477 PolarHBondContact O-N 2.98Å; E475-E478 PolarHBondContact O-N 2.84Å; E475-Q479 WeakPolarHBondContact O-CB 3.07Å; E475-Q479 PolarHBondContact O-N 3.28Å; E475-R665 IonicContact OE1-CZ 2.81Å; E475-R665 VanDerWaalsContact OE1-CZ 3.32Å; E475-R665 IonicContact OE1-NE 3.84Å; E475-R665 PolarHBondContact OE1-NE 3.5Å; E475-R665 IonicContact OE1-NH2 3.58Å; E475-R665 PolarHBondContact OE1-NH2 2.98Å; E475-R665 IonicContact OE2-NH2 3.03Å; E475-R665 PolarHBondContact OE2-NH2 3.21Å
476	E	95.4	Very high	94.1	Very high	106 Å²	106	59.9 Å²	59.9	50%	0.495	29%	0.289	S	S	.	.	H	α-helix	trans	-62.5	-40.4	177.5	-157.6	-153.8	-172.1	0	0	111.7	N472 N473 K480	N472-E476 PolarHBondContact O-N 3.04Å; N473-E476 PolarHBondContact O-N 3.15Å; E476-K480 VanDerWaalsContact CD-CE 3.46Å; E476-K480 HydrophobicContact CG-CD 4.41Å; E476-K480 WeakPolarHBondContact O-CB 3.38Å; E476-K480 VanDerWaalsContact O-CG 3.24Å; E476-K480 WeakPolarHBondContact O-CG 3.29Å; E476-K480 PolarHBondContact O-N 2.77Å; E476-K480 WeakPolarHBondContact OE1-CE 3.06Å; E476-K480 IonicContact OE1-NZ 3.54Å; E476-K480 PolarHBondContact OE1-NZ 2.93Å; E476-K480 IonicContact OE2-NZ 3.56Å; E476-K480 PolarHBondContact OE2-NZ 2.9Å
477	L	96.9	Very high	93.9	Very high	18 Å²	18	61.3 Å²	61.3	9%	0.094	30%	0.296	C	S	.	.	H	α-helix	trans	-70.6	-39.6	176.2	-72.3	167.7	0	0	0	112.6	N473 I474 E475 K480 I481 L620 M623 L624 E627	N473-L477 WeakPolarHBondContact O-CB 3.47Å; N473-L477 VanDerWaalsContact O-CG 3.28Å; N473-L477 WeakPolarHBondContact O-CG 3.3Å; N473-L477 PolarHBondContact O-N 2.88Å; I474-L477 PolarHBondContact O-N 3.13Å; E475-L477 VanDerWaalsContact C-N 3.33Å; E475-L477 PolarHBondContact O-N 2.98Å; L477-K480 PolarHBondContact O-N 3.14Å; L477-I481 WeakPolarHBondContact O-CD1 3.42Å; L477-I481 VanDerWaalsContact O-CG1 3.27Å; L477-I481 WeakPolarHBondContact O-CG1 3.3Å; L477-I481 PolarHBondContact O-N 3.04Å; L477-L620 HydrophobicContact CD2-CD2 4.23Å; L477-M623 HydrophobicContact CD1-CB 4.15Å; L477-M623 HydrophobicContact CD2-CB 4.28Å; L477-M623 HydrophobicContact CD2-CE 4.22Å; L477-L624 HydrophobicContact CB-CB 4.22Å; L477-L624 HydrophobicContact CB-CD1 4.2Å; L477-L624 HydrophobicContact CD1-CB 4.46Å; L477-E627 HydrophobicContact CD1-CG 4.09Å
478	E	94.7	Very high	93.7	Very high	60 Å²	60	60.2 Å²	60.2	28%	0.28	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-41.9	173.8	-77.6	177.6	175.8	0	0	111.6	I474 E475 K482 L624 R628 R665	I474-E478 WeakPolarHBondContact O-CB 3.31Å; I474-E478 WeakPolarHBondContact O-CG 3.31Å; I474-E478 PolarHBondContact O-N 3.4Å; E475-E478 PolarHBondContact O-N 2.84Å; E478-K482 PolarHBondContact O-N 2.83Å; E478-L624 HydrophobicContact CG-CD1 3.86Å; E478-L624 HydrophobicContact CG-CD2 3.77Å; E478-R628 IonicContact OE1-CZ 3.48Å; E478-R628 IonicContact OE1-NE 3.23Å; E478-R628 IonicContact OE1-NH2 2.74Å; E478-R628 PolarHBondContact OE1-NH2 3.08Å; E478-R665 IonicContact OE2-NH1 2.74Å; E478-R665 PolarHBondContact OE2-NH1 3.19Å
479	Q	96.4	Very high	93.5	Very high	74 Å²	74	60.2 Å²	60.2	35%	0.346	29%	0.291	S	S	.	.	H	α-helix	trans	-69.3	-43.8	177.2	-179.2	52.5	39.1	0	0	111.7	E475 I481 K482 D483	E475-Q479 WeakPolarHBondContact O-CB 3.07Å; E475-Q479 PolarHBondContact O-N 3.28Å; Q479-I481 VanDerWaalsContact C-N 3.32Å; Q479-I481 PolarHBondContact O-N 3.33Å; Q479-K482 WeakPolarHBondContact O-CB 3.29Å; Q479-K482 PolarHBondContact O-N 3.38Å; Q479-K482 VanDerWaalsContact O-N 3.16Å; Q479-D483 PolarHBondContact NE2-OD1 2.86Å; Q479-D483 PolarHBondContact NE2-OD2 2.9Å; Q479-D483 PolarHBondContact O-N 3.45Å
480	K	94.4	Very high	92.8	Very high	85 Å²	85	61 Å²	61	37%	0.37	30%	0.295	S	S	.	.	H	α-helix	trans	-59.8	-37.7	174.2	-74.9	168.1	-179.1	168.5	0	113.2	E476 L477 D483 L484 L620	E476-K480 VanDerWaalsContact CD-CE 3.46Å; E476-K480 HydrophobicContact CG-CD 4.41Å; E476-K480 WeakPolarHBondContact O-CB 3.38Å; E476-K480 VanDerWaalsContact O-CG 3.24Å; E476-K480 WeakPolarHBondContact O-CG 3.29Å; E476-K480 PolarHBondContact O-N 2.77Å; E476-K480 WeakPolarHBondContact OE1-CE 3.06Å; E476-K480 IonicContact OE1-NZ 3.54Å; E476-K480 PolarHBondContact OE1-NZ 2.93Å; E476-K480 IonicContact OE2-NZ 3.56Å; E476-K480 PolarHBondContact OE2-NZ 2.9Å; L477-K480 PolarHBondContact O-N 3.14Å; K480-D483 PolarHBondContact O-N 3.28Å; K480-L484 WeakPolarHBondContact O-CG 3.44Å; K480-L484 PolarHBondContact O-N 2.71Å; K480-L620 HydrophobicContact CB-CD1 3.67Å
481	I	95.6	Very high	92.2	Very high	16 Å²	16	61.8 Å²	61.8	8%	0.082	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-44.5	174.9	-73.1	161.7	0	0	0	111	L477 Q479 D483 L484 D485 K617 L620 L621 L624	L477-I481 WeakPolarHBondContact O-CD1 3.42Å; L477-I481 VanDerWaalsContact O-CG1 3.27Å; L477-I481 WeakPolarHBondContact O-CG1 3.3Å; L477-I481 PolarHBondContact O-N 3.04Å; Q479-I481 VanDerWaalsContact C-N 3.32Å; Q479-I481 PolarHBondContact O-N 3.33Å; I481-D483 VanDerWaalsContact C-N 3.32Å; I481-D483 PolarHBondContact O-N 2.88Å; I481-L484 PolarHBondContact O-N 3.24Å; I481-D485 PolarHBondContact O-N 3.02Å; I481-K617 HydrophobicContact CG2-CD 4.41Å; I481-K617 HydrophobicContact CG2-CG 4.28Å; I481-L620 HydrophobicContact CD1-CB 3.93Å; I481-L620 HydrophobicContact CG1-CB 3.49Å; I481-L620 VanDerWaalsContact CG1-CB 3.49Å; I481-L620 HydrophobicContact CG1-CD1 3.81Å; I481-L620 HydrophobicContact CG1-CG 4.31Å; I481-L621 HydrophobicContact CD1-CD2 3.87Å; I481-L621 HydrophobicContact CD1-CG 4Å; I481-L624 HydrophobicContact CD1-CB 4.35Å; I481-L624 HydrophobicContact CD1-CD2 3.66Å
482	K	95	Very high	91.9	Very high	104 Å²	104	61.9 Å²	61.9	45%	0.452	30%	0.301	S	S	.	.	H	α-helix	trans	-62.9	-38	176.2	167.8	-175.6	151	-150.1	0	111.9	E478 Q479 D485 N486	E478-K482 PolarHBondContact O-N 2.83Å; Q479-K482 WeakPolarHBondContact O-CB 3.29Å; Q479-K482 PolarHBondContact O-N 3.38Å; Q479-K482 VanDerWaalsContact O-N 3.16Å; K482-D485 PolarHBondContact O-N 2.88Å; K482-N486 PolarHBondContact O-N 3.5Å; K482-N486 PolarHBondContact O-ND2 2.78Å; K482-N486 PolarHBondContact O-OD1 2.69Å
483	D	90.9	Very high	91.4	Very high	57 Å²	57	64.6 Å²	64.6	31%	0.305	31%	0.305	S	S	.	.	H	α-helix	trans	-73	-34.2	178.8	-65	-28.5	0	0	0	112.5	Q479 K480 I481 N486 Q487	Q479-D483 PolarHBondContact NE2-OD1 2.86Å; Q479-D483 PolarHBondContact NE2-OD2 2.9Å; Q479-D483 PolarHBondContact O-N 3.45Å; K480-D483 PolarHBondContact O-N 3.28Å; I481-D483 VanDerWaalsContact C-N 3.32Å; I481-D483 PolarHBondContact O-N 2.88Å; D483-N486 PolarHBondContact O-N 3.27Å; D483-Q487 VanDerWaalsContact O-CG 3.3Å; D483-Q487 WeakPolarHBondContact O-CG 3.44Å; D483-Q487 PolarHBondContact O-N 2.71Å
484	L	92.9	Very high	90.8	Very high	15 Å²	15	68.8 Å²	68.8	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-65.8	-36.1	168.4	-72.5	179.8	0	0	0	112.7	K480 I481 Q487 M488 F613 E616 K617 L620	K480-L484 WeakPolarHBondContact O-CG 3.44Å; K480-L484 PolarHBondContact O-N 2.71Å; I481-L484 PolarHBondContact O-N 3.24Å; L484-Q487 PolarHBondContact O-N 3.03Å; L484-M488 VanDerWaalsContact O-CB 3.31Å; L484-M488 WeakPolarHBondContact O-CB 3.4Å; L484-M488 PolarHBondContact O-N 3.31Å; L484-F613 HydrophobicContact CD2-CD1 4.15Å; L484-E616 HydrophobicContact CD1-CB 3.97Å; L484-E616 HydrophobicContact CD1-CG 3.8Å; L484-K617 HydrophobicContact CD1-CB 4.42Å; L484-L620 HydrophobicContact CD1-CD1 3.56Å; L484-L620 HydrophobicContact CD1-CG 4.21Å; L484-L620 HydrophobicContact CG-CD1 4.43Å
485	D	89	Confident	90.5	Very high	48 Å²	48	69.7 Å²	69.7	26%	0.257	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-42	173.6	-83.9	-32.5	0	0	0	111.6	I481 K482 M488 E489 K617	I481-D485 PolarHBondContact O-N 3.02Å; K482-D485 PolarHBondContact O-N 2.88Å; D485-M488 PolarHBondContact O-N 2.86Å; D485-M488 WeakPolarHBondContact OD1-CE 3.18Å; D485-E489 PolarHBondContact O-N 3.43Å; D485-K617 VanDerWaalsContact OD1-CD 3.31Å; D485-K617 WeakPolarHBondContact OD1-CD 3.4Å; D485-K617 WeakPolarHBondContact OD1-CE 3.29Å; D485-K617 IonicContact OD1-NZ 2.66Å; D485-K617 PolarHBondContact OD1-NZ 3.45Å; D485-K617 IonicContact OD2-NZ 3.69Å; D485-K617 PolarHBondContact OD2-NZ 3.03Å
486	N	91.9	Very high	90.1	Very high	66 Å²	66	70.4 Å²	70.4	35%	0.353	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-49.8	173.3	-61.8	-25.8	0	0	0	110.9	K482 D483 M488 E489 E490	K482-N486 PolarHBondContact O-N 3.5Å; K482-N486 PolarHBondContact O-ND2 2.78Å; K482-N486 PolarHBondContact O-OD1 2.69Å; D483-N486 PolarHBondContact O-N 3.27Å; N486-M488 VanDerWaalsContact C-N 3.31Å; N486-M488 PolarHBondContact O-N 2.86Å; N486-E489 PolarHBondContact O-N 2.84Å; N486-E489 VanDerWaalsContact O-N 3.08Å; N486-E490 WeakPolarHBondContact O-CB 3.25Å; N486-E490 WeakPolarHBondContact O-CG 3.38Å; N486-E490 PolarHBondContact O-N 2.85Å
487	Q	88.5	Confident	89.7	Confident	90 Å²	90	68 Å²	68	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-37.8	179.3	-74	171.7	15.9	0	0	112.8	D483 L484 E490 S491 F613	D483-Q487 VanDerWaalsContact O-CG 3.3Å; D483-Q487 WeakPolarHBondContact O-CG 3.44Å; D483-Q487 PolarHBondContact O-N 2.71Å; L484-Q487 PolarHBondContact O-N 3.03Å; Q487-E490 PolarHBondContact O-N 2.73Å; Q487-S491 VanDerWaalsContact O-CB 3.24Å; Q487-S491 WeakPolarHBondContact O-CB 3.46Å; Q487-S491 PolarHBondContact O-N 3.34Å; Q487-F613 HydrophobicContact CB-CE1 4.29Å; Q487-F613 HydrophobicContact CB-CZ 4.4Å
488	M	88.4	Confident	89	Confident	34 Å²	34	71.3 Å²	71.3	17%	0.167	34%	0.338	C	S	.	.	H	α-helix	trans	-68.5	-33.2	175.6	-178.7	175.4	56.2	0	0	112.4	L484 D485 N486 L492 K610 F613	L484-M488 VanDerWaalsContact O-CB 3.31Å; L484-M488 WeakPolarHBondContact O-CB 3.4Å; L484-M488 PolarHBondContact O-N 3.31Å; D485-M488 PolarHBondContact O-N 2.86Å; D485-M488 WeakPolarHBondContact OD1-CE 3.18Å; N486-M488 VanDerWaalsContact C-N 3.31Å; N486-M488 PolarHBondContact O-N 2.86Å; M488-L492 WeakPolarHBondContact O-CB 3.23Å; M488-L492 PolarHBondContact O-N 3.43Å; M488-K610 HydrophobicContact CG-CG 4.21Å; M488-K610 HydrophobicContact SD-CG 4.06Å; M488-F613 HydrophobicContact CB-CB 4.15Å; M488-F613 HydrophobicContact CB-CD2 4.12Å; M488-F613 HydrophobicContact CB-CG 4.34Å; M488-F613 HydrophobicContact CG-CB 4.42Å; M488-F613 HydrophobicContact CG-CD2 4.45Å; M488-F613 HydrophobicContact SD-CB 4.42Å
489	E	88.4	Confident	88.6	Confident	97 Å²	97	69.2 Å²	69.2	45%	0.453	33%	0.33	S	S	.	.	H	α-helix	trans	-75.9	-38.5	173.8	-164.7	-179.8	172.3	0	0	112	D485 N486 L492 R493	D485-E489 PolarHBondContact O-N 3.43Å; N486-E489 PolarHBondContact O-N 2.84Å; N486-E489 VanDerWaalsContact O-N 3.08Å; E489-L492 PolarHBondContact O-N 3.1Å; E489-R493 VanDerWaalsContact O-CG 3.26Å; E489-R493 WeakPolarHBondContact O-CG 3.5Å; E489-R493 PolarHBondContact O-N 3.12Å; E489-R493 IonicContact OE1-CZ 3.58Å; E489-R493 IonicContact OE1-NE 3.87Å; E489-R493 PolarHBondContact OE1-NE 2.65Å; E489-R493 IonicContact OE1-NH2 2.7Å; E489-R493 PolarHBondContact OE1-NH2 2.95Å; E489-R493 IonicContact OE2-NH2 2.71Å
490	E	79.8	Confident	88.2	Confident	122 Å²	122	68.4 Å²	68.4	57%	0.57	34%	0.336	S	S	*	.	H	α-helix	trans	-63.7	-48.2	175.5	-73.3	170.4	176.2	0	0	111.6	N486 Q487 L492 R493 E494	N486-E490 WeakPolarHBondContact O-CB 3.25Å; N486-E490 WeakPolarHBondContact O-CG 3.38Å; N486-E490 PolarHBondContact O-N 2.85Å; Q487-E490 PolarHBondContact O-N 2.73Å; E490-L492 VanDerWaalsContact C-N 3.3Å; E490-L492 PolarHBondContact O-N 3.12Å; E490-R493 PolarHBondContact O-N 3.18Å; E490-E494 WeakPolarHBondContact O-CB 3.4Å; E490-E494 PolarHBondContact O-N 3.32Å
491	S	82	Confident	87.8	Confident	15 Å²	15	67.8 Å²	67.8	11%	0.105	34%	0.336	C	S	.	.	H	α-helix	trans	-58	-39.1	173.8	170.6	0	0	0	0	112.5	Q487 M495	Q487-S491 VanDerWaalsContact O-CB 3.24Å; Q487-S491 WeakPolarHBondContact O-CB 3.46Å; Q487-S491 PolarHBondContact O-N 3.34Å; S491-M495 WeakPolarHBondContact O-CB 3.46Å; S491-M495 PolarHBondContact O-N 2.9Å; S491-M495 VanDerWaalsContact O-N 3.08Å
492	L	86.1	Confident	87.4	Confident	58 Å²	58	68.1 Å²	68.1	30%	0.304	34%	0.338	S	S	.	.	H	α-helix	trans	-65.8	-46	175.3	-177.7	67	0	0	0	111.8	M488 E489 E490 E494 M495 E496	M488-L492 WeakPolarHBondContact O-CB 3.23Å; M488-L492 PolarHBondContact O-N 3.43Å; E489-L492 PolarHBondContact O-N 3.1Å; E490-L492 VanDerWaalsContact C-N 3.3Å; E490-L492 PolarHBondContact O-N 3.12Å; L492-E494 VanDerWaalsContact C-N 3.35Å; L492-M495 HydrophobicContact CD1-CE 3.88Å; L492-M495 PolarHBondContact O-N 3.43Å; L492-E496 WeakPolarHBondContact O-CG 3.47Å; L492-E496 PolarHBondContact O-N 3.49Å
493	R	85.5	Confident	86.8	Confident	141 Å²	141	66.8 Å²	66.8	53%	0.532	34%	0.336	S	S	.	.	H	α-helix	trans	-65.2	-37.1	178.3	-69.8	167.6	180	-162.4	5	112	E489 E490 E496 V497	E489-R493 VanDerWaalsContact O-CG 3.26Å; E489-R493 WeakPolarHBondContact O-CG 3.5Å; E489-R493 PolarHBondContact O-N 3.12Å; E489-R493 IonicContact OE1-CZ 3.58Å; E489-R493 IonicContact OE1-NE 3.87Å; E489-R493 PolarHBondContact OE1-NE 2.65Å; E489-R493 IonicContact OE1-NH2 2.7Å; E489-R493 PolarHBondContact OE1-NH2 2.95Å; E489-R493 IonicContact OE2-NH2 2.71Å; E490-R493 PolarHBondContact O-N 3.18Å; R493-E496 PolarHBondContact O-N 2.93Å; R493-V497 WeakPolarHBondContact O-CB 3.43Å; R493-V497 VanDerWaalsContact O-CG2 3.26Å; R493-V497 WeakPolarHBondContact O-CG2 3.37Å; R493-V497 PolarHBondContact O-N 3.2Å
494	E	82.2	Confident	86.8	Confident	132 Å²	132	65 Å²	65	62%	0.617	33%	0.331	S	S	*	.	H	α-helix	trans	-61.9	-50.4	174.8	-173.9	167.9	-147.3	0	0	110.7	E490 L492 E496 V497 E498	E490-E494 WeakPolarHBondContact O-CB 3.4Å; E490-E494 PolarHBondContact O-N 3.32Å; L492-E494 VanDerWaalsContact C-N 3.35Å; E494-E496 PolarHBondContact O-N 3.43Å; E494-V497 PolarHBondContact O-N 3.41Å; E494-V497 VanDerWaalsContact O-N 3.17Å; E494-E498 PolarHBondContact O-N 3.29Å
495	M	91.4	Very high	86.7	Confident	32 Å²	32	67.5 Å²	67.5	16%	0.158	34%	0.342	C	S	.	.	H	α-helix	trans	-56.8	-45.2	173.9	-178.9	-141.8	65.8	0	0	112.5	S491 L492 V497 E498 C499 I602 T603 A606	S491-M495 WeakPolarHBondContact O-CB 3.46Å; S491-M495 PolarHBondContact O-N 2.9Å; S491-M495 VanDerWaalsContact O-N 3.08Å; L492-M495 HydrophobicContact CD1-CE 3.88Å; L492-M495 PolarHBondContact O-N 3.43Å; M495-V497 VanDerWaalsContact C-N 3.32Å; M495-V497 PolarHBondContact O-N 2.89Å; M495-E498 PolarHBondContact O-N 2.77Å; M495-C499 WeakPolarHBondContact O-CB 3.38Å; M495-C499 PolarHBondContact O-N 3.03Å; M495-C499 PolarHBondContact O-SG 3.23Å; M495-I602 HydrophobicContact CB-CG2 4.41Å; M495-I602 HydrophobicContact CG-CG2 3.86Å; M495-T603 HydrophobicContact SD-CG2 4.44Å; M495-A606 HydrophobicContact CB-CB 3.66Å; M495-A606 HydrophobicContact CG-CB 3.51Å; M495-A606 HydrophobicContact SD-CB 3.55Å; M495-A606 VanDerWaalsContact SD-CB 3.55Å
496	E	85.9	Confident	86.8	Confident	108 Å²	108	66.6 Å²	66.6	51%	0.505	34%	0.336	S	S	.	.	H	α-helix	trans	-61.2	-40	177.3	-74.9	175.5	-179.7	0	0	112	L492 R493 E494 A500	L492-E496 WeakPolarHBondContact O-CG 3.47Å; L492-E496 PolarHBondContact O-N 3.49Å; R493-E496 PolarHBondContact O-N 2.93Å; E494-E496 PolarHBondContact O-N 3.43Å; E496-A500 VanDerWaalsContact O-CB 3.24Å; E496-A500 WeakPolarHBondContact O-CB 3.48Å; E496-A500 PolarHBondContact O-N 3.39Å
497	V	87.1	Confident	86.8	Confident	55 Å²	55	69.6 Å²	69.6	33%	0.333	35%	0.348	S	S	.	.	H	α-helix	trans	-72.7	-33.2	179	168.2	0	0	0	0	112.7	R493 E494 M495 L501	R493-V497 WeakPolarHBondContact O-CB 3.43Å; R493-V497 VanDerWaalsContact O-CG2 3.26Å; R493-V497 WeakPolarHBondContact O-CG2 3.37Å; R493-V497 PolarHBondContact O-N 3.2Å; E494-V497 PolarHBondContact O-N 3.41Å; E494-V497 VanDerWaalsContact O-N 3.17Å; M495-V497 VanDerWaalsContact C-N 3.32Å; M495-V497 PolarHBondContact O-N 2.89Å; V497-L501 PolarHBondContact O-N 2.96Å
498	E	82.5	Confident	86.9	Confident	88 Å²	88	68 Å²	68	41%	0.411	35%	0.347	S	S	.	.	H	α-helix	trans	-71.6	-45.9	172.2	-71.4	-154.6	141.6	0	0	112.1	E494 M495 A500 L501 L502 I602	E494-E498 PolarHBondContact O-N 3.29Å; M495-E498 PolarHBondContact O-N 2.77Å; E498-A500 PolarHBondContact O-N 2.96Å; E498-L501 WeakPolarHBondContact O-CB 3.46Å; E498-L501 PolarHBondContact O-N 3.4Å; E498-L501 VanDerWaalsContact O-N 3.15Å; E498-L502 WeakPolarHBondContact O-CG 3.31Å; E498-L502 PolarHBondContact O-N 2.91Å; E498-I602 HydrophobicContact CB-CD1 4.34Å; E498-I602 HydrophobicContact CB-CG2 4.25Å; E498-I602 WeakPolarHBondContact OE2-CD1 3.37Å
499	C	86	Confident	87.1	Confident	16 Å²	16	67.6 Å²	67.6	11%	0.108	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-43.4	176.3	-72.7	0	0	0	0	111.3	M495 L501 L502 D503	M495-C499 WeakPolarHBondContact O-CB 3.38Å; M495-C499 PolarHBondContact O-N 3.03Å; M495-C499 PolarHBondContact O-SG 3.23Å; C499-L501 VanDerWaalsContact C-N 3.26Å; C499-L501 PolarHBondContact O-N 3.41Å; C499-L502 PolarHBondContact O-N 2.98Å; C499-D503 WeakPolarHBondContact O-CB 3.29Å; C499-D503 PolarHBondContact O-N 2.93Å
500	A	87.8	Confident	87.3	Confident	57 Å²	57	67.2 Å²	67.2	47%	0.471	34%	0.344	S	S	.	.	H	α-helix	trans	-65.4	-23.5	176.2	0	0	0	0	0	114.3	E496 E498	E496-A500 VanDerWaalsContact O-CB 3.24Å; E496-A500 WeakPolarHBondContact O-CB 3.48Å; E496-A500 PolarHBondContact O-N 3.39Å; E498-A500 PolarHBondContact O-N 2.96Å
501	L	87.8	Confident	88	Confident	73 Å²	73	64.1 Å²	64.1	38%	0.382	33%	0.334	S	S	.	.	H	α-helix	trans	-73.4	-52.1	167.5	-87.5	-175.3	0	0	0	111.5	R332 V497 E498 C499 D503 G504 E505	R332-L501 VanDerWaalsContact NH1-CG 3.34Å; V497-L501 PolarHBondContact O-N 2.96Å; E498-L501 WeakPolarHBondContact O-CB 3.46Å; E498-L501 PolarHBondContact O-N 3.4Å; E498-L501 VanDerWaalsContact O-N 3.15Å; C499-L501 VanDerWaalsContact C-N 3.26Å; C499-L501 PolarHBondContact O-N 3.41Å; L501-D503 VanDerWaalsContact C-N 3.33Å; L501-D503 PolarHBondContact O-N 3.29Å; L501-G504 PolarHBondContact O-N 3.29Å; L501-G504 VanDerWaalsContact O-N 3.11Å; L501-E505 PolarHBondContact O-N 2.78Å
502	L	86.4	Confident	88.6	Confident	23 Å²	23	67.5 Å²	67.5	12%	0.12	35%	0.348	C	S	.	.	H	α-helix	trans	-65.1	-37	-174.8	-69.6	173.5	0	0	0	112.1	E498 C499 G504 E505 Q506 L595 Q598 I602	E498-L502 WeakPolarHBondContact O-CG 3.31Å; E498-L502 PolarHBondContact O-N 2.91Å; C499-L502 PolarHBondContact O-N 2.98Å; L502-G504 VanDerWaalsContact C-N 3.34Å; L502-E505 PolarHBondContact O-N 3.2Å; L502-Q506 WeakPolarHBondContact O-CB 3.3Å; L502-Q506 PolarHBondContact O-N 2.9Å; L502-L595 HydrophobicContact CD2-CD2 3.74Å; L502-Q598 HydrophobicContact CD1-CB 3.9Å; L502-I602 HydrophobicContact CD1-CD1 3.46Å; L502-I602 VanDerWaalsContact CD1-CD1 3.46Å
503	D	83.4	Confident	89.1	Confident	75 Å²	75	66.1 Å²	66.1	40%	0.401	34%	0.34	S	S	.	.	H	α-helix	trans	-65.7	-37.1	173.5	-73	-14.9	0	0	0	111.4	C499 L501 Q506 E507	C499-D503 WeakPolarHBondContact O-CB 3.29Å; C499-D503 PolarHBondContact O-N 2.93Å; L501-D503 VanDerWaalsContact C-N 3.33Å; L501-D503 PolarHBondContact O-N 3.29Å; D503-Q506 PolarHBondContact O-N 3.48Å; D503-E507 WeakPolarHBondContact O-CB 3.4Å; D503-E507 PolarHBondContact O-N 2.85Å
504	G	89.5	Confident	89.6	Confident	19 Å²	19	63.6 Å²	63.6	20%	0.196	34%	0.335	C	S	.	.	H	α-helix	trans	-69.6	-39.1	174.5	0	0	0	0	0	113.6	L501 L502 S508	L501-G504 PolarHBondContact O-N 3.29Å; L501-G504 VanDerWaalsContact O-N 3.11Å; L502-G504 VanDerWaalsContact C-N 3.34Å; G504-S508 PolarHBondContact O-N 2.8Å; G504-S508 PolarHBondContact O-OG 3.4Å
505	E	90.3	Very high	90.2	Very high	68 Å²	68	63.5 Å²	63.5	32%	0.318	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-47.7	171.2	-162.5	-167.3	140.6	0	0	109.6	L501 L502 E507 S508 E509 R591 L595	L501-E505 PolarHBondContact O-N 2.78Å; L502-E505 PolarHBondContact O-N 3.2Å; E505-E507 VanDerWaalsContact C-N 3.33Å; E505-E507 PolarHBondContact O-N 3.45Å; E505-S508 PolarHBondContact O-N 3.3Å; E505-S508 VanDerWaalsContact O-N 3.14Å; E505-S508 PolarHBondContact O-OG 2.78Å; E505-E509 WeakPolarHBondContact O-CB 3.06Å; E505-E509 WeakPolarHBondContact O-CG 3.44Å; E505-E509 PolarHBondContact O-N 2.76Å; E505-R591 VanDerWaalsContact CD-NH2 3.29Å; E505-R591 IonicContact OE1-CZ 2.68Å; E505-R591 IonicContact OE1-NE 2.85Å; E505-R591 PolarHBondContact OE1-NE 2.81Å; E505-R591 IonicContact OE1-NH2 3.75Å; E505-R591 PolarHBondContact OE1-NH2 3.37Å; E505-R591 IonicContact OE2-NH2 2.79Å; E505-R591 PolarHBondContact OE2-NH2 3.14Å; E505-R591 VanDerWaalsContact OE2-NH2 3.08Å; E505-L595 HydrophobicContact CB-CD1 4.02Å; E505-L595 HydrophobicContact CB-CD2 4.39Å; E505-L595 HydrophobicContact CG-CD1 3.91Å; E505-L595 HydrophobicContact CG-CD2 4.44Å
506	Q	92.4	Very high	90.2	Very high	30 Å²	30	62.4 Å²	62.4	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-38.8	179	-178.4	-146.6	-114	0	0	112.6	L502 D503 M510 I592 L595 K596	L502-Q506 WeakPolarHBondContact O-CB 3.3Å; L502-Q506 PolarHBondContact O-N 2.9Å; D503-Q506 PolarHBondContact O-N 3.48Å; Q506-M510 VanDerWaalsContact O-CB 3.3Å; Q506-M510 WeakPolarHBondContact O-CB 3.42Å; Q506-M510 PolarHBondContact O-N 3.43Å; Q506-I592 HydrophobicContact CG-CG2 4.08Å; Q506-L595 HydrophobicContact CB-CB 4.26Å; Q506-L595 HydrophobicContact CB-CD1 4.14Å; Q506-K596 HydrophobicContact CG-CG 4.49Å
507	E	91.4	Very high	90.6	Very high	128 Å²	128	62.2 Å²	62.2	60%	0.598	32%	0.321	S	S	*	.	H	α-helix	trans	-66.6	-46.2	173.7	-176.5	171.2	-146.5	0	0	111	D503 E505 E509 M510 T511	D503-E507 WeakPolarHBondContact O-CB 3.4Å; D503-E507 PolarHBondContact O-N 2.85Å; E505-E507 VanDerWaalsContact C-N 3.33Å; E505-E507 PolarHBondContact O-N 3.45Å; E507-E509 PolarHBondContact O-N 3.34Å; E507-M510 WeakPolarHBondContact O-CB 3.49Å; E507-M510 PolarHBondContact O-N 2.99Å; E507-T511 WeakPolarHBondContact O-CG2 3.32Å; E507-T511 PolarHBondContact O-N 2.9Å
508	S	91.7	Very high	91.1	Very high	58 Å²	58	64.5 Å²	64.5	41%	0.406	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-44.2	178.5	69.9	0	0	0	0	112	G504 E505 M510 T511 Q512	G504-S508 PolarHBondContact O-N 2.8Å; G504-S508 PolarHBondContact O-OG 3.4Å; E505-S508 PolarHBondContact O-N 3.3Å; E505-S508 VanDerWaalsContact O-N 3.14Å; E505-S508 PolarHBondContact O-OG 2.78Å; S508-M510 VanDerWaalsContact C-N 3.33Å; S508-M510 PolarHBondContact O-N 3.06Å; S508-T511 PolarHBondContact O-N 2.64Å; S508-T511 PolarHBondContact O-OG1 3.17Å; S508-Q512 PolarHBondContact O-N 3.27Å
509	E	91.9	Very high	91.7	Very high	24 Å²	24	63.5 Å²	63.5	11%	0.112	33%	0.325	C	S	.	.	H	α-helix	trans	-57.7	-41.2	170.4	-72.8	-68	110.8	0	0	112.2	E505 E507 Q512 L513 R588 R591 I592 L595	E505-E509 WeakPolarHBondContact O-CB 3.06Å; E505-E509 WeakPolarHBondContact O-CG 3.44Å; E505-E509 PolarHBondContact O-N 2.76Å; E507-E509 PolarHBondContact O-N 3.34Å; E509-Q512 PolarHBondContact O-N 3.35Å; E509-L513 WeakPolarHBondContact O-CB 3.26Å; E509-L513 PolarHBondContact O-N 3.36Å; E509-R588 VanDerWaalsContact CD-NE 3.29Å; E509-R588 WeakPolarHBondContact O-CD 3.13Å; E509-R588 IonicContact OE1-CZ 3.23Å; E509-R588 IonicContact OE1-NE 2.71Å; E509-R588 PolarHBondContact OE1-NE 3.07Å; E509-R588 IonicContact OE1-NH2 2.98Å; E509-R588 PolarHBondContact OE1-NH2 2.85Å; E509-R588 WeakPolarHBondContact OE2-CG 3.31Å; E509-R588 IonicContact OE2-CZ 3.51Å; E509-R588 IonicContact OE2-NE 3.22Å; E509-R588 PolarHBondContact OE2-NE 3Å; E509-R588 IonicContact OE2-NH2 2.73Å; E509-R591 HydrophobicContact CG-CG 4.04Å; E509-R591 WeakPolarHBondContact OE2-CG 3.26Å; E509-I592 HydrophobicContact CB-CD1 4.12Å; E509-I592 HydrophobicContact CB-CG1 3.64Å; E509-L595 HydrophobicContact CG-CD1 4.2Å
510	M	92.8	Very high	92.1	Very high	90 Å²	90	63.4 Å²	63.4	44%	0.443	32%	0.323	S	S	.	.	H	α-helix	trans	-67.2	-40	177.3	-166	-174.3	-45.9	0	0	112.1	Q506 E507 S508 Q512 L513 Q514 I592	Q506-M510 VanDerWaalsContact O-CB 3.3Å; Q506-M510 WeakPolarHBondContact O-CB 3.42Å; Q506-M510 PolarHBondContact O-N 3.43Å; E507-M510 WeakPolarHBondContact O-CB 3.49Å; E507-M510 PolarHBondContact O-N 2.99Å; S508-M510 VanDerWaalsContact C-N 3.33Å; S508-M510 PolarHBondContact O-N 3.06Å; M510-Q512 VanDerWaalsContact C-N 3.33Å; M510-Q512 PolarHBondContact O-N 3.42Å; M510-L513 PolarHBondContact O-N 3.15Å; M510-Q514 PolarHBondContact O-N 3.29Å; M510-I592 HydrophobicContact CB-CD1 4.3Å
511	T	94.9	Very high	92.4	Very high	57 Å²	57	64.2 Å²	64.2	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-65.8	-36.9	174.2	71.2	0	0	0	0	111.7	E507 S508 Q514 R515	E507-T511 WeakPolarHBondContact O-CG2 3.32Å; E507-T511 PolarHBondContact O-N 2.9Å; S508-T511 PolarHBondContact O-N 2.64Å; S508-T511 PolarHBondContact O-OG1 3.17Å; T511-Q514 PolarHBondContact O-N 3.36Å; T511-R515 WeakPolarHBondContact O-CG 3.43Å; T511-R515 PolarHBondContact O-N 3.33Å; T511-R515 PolarHBondContact O-NH1 2.99Å; T511-R515 PolarHBondContact OG1-NH1 2.94Å; T511-R515 PolarHBondContact OG1-NH2 3.29Å
512	Q	94.1	Very high	92.8	Very high	86 Å²	86	64.8 Å²	64.8	40%	0.402	32%	0.321	S	S	.	.	H	α-helix	trans	-71.4	-37.3	177.5	-165.1	167.7	-4.3	0	0	111.6	S508 E509 M510 Q514 R515 E516 R588	S508-Q512 PolarHBondContact O-N 3.27Å; E509-Q512 PolarHBondContact O-N 3.35Å; M510-Q512 VanDerWaalsContact C-N 3.33Å; M510-Q512 PolarHBondContact O-N 3.42Å; Q512-Q514 VanDerWaalsContact C-N 3.26Å; Q512-Q514 PolarHBondContact O-N 3.37Å; Q512-R515 PolarHBondContact O-N 3.45Å; Q512-E516 WeakPolarHBondContact O-CB 3.43Å; Q512-E516 VanDerWaalsContact O-CG 3.29Å; Q512-E516 WeakPolarHBondContact O-CG 3.32Å; Q512-E516 PolarHBondContact O-N 3.25Å; Q512-R588 VanDerWaalsContact CD-CZ 3.43Å; Q512-R588 VanDerWaalsContact NE2-NH1 3.13Å
513	L	95.8	Very high	93.1	Very high	28 Å²	28	64.4 Å²	64.4	15%	0.147	32%	0.319	C	S	.	.	H	α-helix	trans	-58.9	-38.2	171.5	-174.4	61.7	0	0	0	112.5	E509 M510 K517 S585 R588 K589 I592	E509-L513 WeakPolarHBondContact O-CB 3.26Å; E509-L513 PolarHBondContact O-N 3.36Å; M510-L513 PolarHBondContact O-N 3.15Å; L513-K517 WeakPolarHBondContact O-CB 3.45Å; L513-K517 PolarHBondContact O-N 2.96Å; L513-S585 WeakPolarHBondContact CD1-O 3.29Å; L513-S585 WeakPolarHBondContact CD1-OG 3.47Å; L513-R588 HydrophobicContact CB-CG 3.99Å; L513-R588 HydrophobicContact CD1-CB 4.31Å; L513-R588 HydrophobicContact CD1-CG 4.16Å; L513-K589 HydrophobicContact CD1-CG 4Å; L513-K589 HydrophobicContact CD2-CG 3.62Å; L513-K589 HydrophobicContact CG-CG 4.5Å; L513-I592 HydrophobicContact CB-CD1 4.39Å; L513-I592 HydrophobicContact CD2-CD1 3.82Å
514	Q	95.8	Very high	93.6	Very high	89 Å²	89	63.9 Å²	63.9	42%	0.416	31%	0.313	S	S	.	.	H	α-helix	trans	-70.3	-43.8	178.2	-179.3	58	27.5	0	0	111.3	M510 T511 Q512 K517 E518	M510-Q514 PolarHBondContact O-N 3.29Å; T511-Q514 PolarHBondContact O-N 3.36Å; Q512-Q514 VanDerWaalsContact C-N 3.26Å; Q512-Q514 PolarHBondContact O-N 3.37Å; Q514-K517 WeakPolarHBondContact O-CB 3.44Å; Q514-K517 PolarHBondContact O-N 2.97Å; Q514-E518 WeakPolarHBondContact CG-OE1 3.41Å; Q514-E518 PolarHBondContact NE2-OE1 2.95Å; Q514-E518 WeakPolarHBondContact O-CG 3.38Å; Q514-E518 PolarHBondContact O-N 2.86Å
515	R	94.8	Very high	93.8	Very high	130 Å²	130	69.4 Å²	69.4	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-62	-43.6	173	-65.7	-178.3	-150.4	91.4	7.6	112.4	T511 Q512 K517 E518 L519	T511-R515 WeakPolarHBondContact O-CG 3.43Å; T511-R515 PolarHBondContact O-N 3.33Å; T511-R515 PolarHBondContact O-NH1 2.99Å; T511-R515 PolarHBondContact OG1-NH1 2.94Å; T511-R515 PolarHBondContact OG1-NH2 3.29Å; Q512-R515 PolarHBondContact O-N 3.45Å; R515-K517 VanDerWaalsContact C-N 3.25Å; R515-K517 PolarHBondContact O-N 3.49Å; R515-E518 PolarHBondContact O-N 2.89Å; R515-L519 WeakPolarHBondContact O-CG 3.43Å; R515-L519 PolarHBondContact O-N 2.93Å
516	E	92.9	Very high	94	Very high	9 Å²	9	70.4 Å²	70.4	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-59.1	-37.9	174.9	-76.1	166.8	-168.1	0	0	112	Q512 L520 Y581 R588	Q512-E516 WeakPolarHBondContact O-CB 3.43Å; Q512-E516 VanDerWaalsContact O-CG 3.29Å; Q512-E516 WeakPolarHBondContact O-CG 3.32Å; Q512-E516 PolarHBondContact O-N 3.25Å; E516-L520 WeakPolarHBondContact O-CB 3.4Å; E516-L520 PolarHBondContact O-N 2.93Å; E516-Y581 HydrophobicContact CB-CD1 4.27Å; E516-Y581 HydrophobicContact CG-CD1 4.19Å; E516-R588 IonicContact OE1-CZ 3.87Å; E516-R588 IonicContact OE1-NE 3.6Å; E516-R588 IonicContact OE1-NH1 2.67Å; E516-R588 PolarHBondContact OE1-NH1 3.11Å
517	K	94.4	Very high	94	Very high	104 Å²	104	70.6 Å²	70.6	45%	0.452	34%	0.338	S	S	.	.	H	α-helix	trans	-68.7	-42.7	176.1	-174.4	-164.5	168	-155	0	111.6	L513 Q514 R515 L520 D521	L513-K517 WeakPolarHBondContact O-CB 3.45Å; L513-K517 PolarHBondContact O-N 2.96Å; Q514-K517 WeakPolarHBondContact O-CB 3.44Å; Q514-K517 PolarHBondContact O-N 2.97Å; R515-K517 VanDerWaalsContact C-N 3.25Å; R515-K517 PolarHBondContact O-N 3.49Å; K517-L520 PolarHBondContact O-N 2.64Å; K517-D521 PolarHBondContact O-N 3.18Å
518	E	95.8	Very high	93.9	Very high	102 Å²	102	68.5 Å²	68.5	48%	0.477	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-47.7	176.8	-72.6	159	-178.5	0	0	111.2	Q514 R515 L520 D521 E522	Q514-E518 WeakPolarHBondContact CG-OE1 3.41Å; Q514-E518 PolarHBondContact NE2-OE1 2.95Å; Q514-E518 WeakPolarHBondContact O-CG 3.38Å; Q514-E518 PolarHBondContact O-N 2.86Å; R515-E518 PolarHBondContact O-N 2.89Å; E518-L520 PolarHBondContact O-N 2.94Å; E518-D521 PolarHBondContact O-N 3.06Å; E518-D521 VanDerWaalsContact O-N 3.15Å; E518-E522 PolarHBondContact O-N 3.15Å
519	L	95.4	Very high	93.9	Very high	68 Å²	68	68.3 Å²	68.3	36%	0.356	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-41.9	173.3	-69.2	169	0	0	0	112.2	R515 D521 E522 L523 Y581	R515-L519 WeakPolarHBondContact O-CG 3.43Å; R515-L519 PolarHBondContact O-N 2.93Å; L519-D521 VanDerWaalsContact C-N 3.26Å; L519-D521 PolarHBondContact O-N 2.86Å; L519-E522 PolarHBondContact O-N 3.43Å; L519-L523 WeakPolarHBondContact O-CB 3.49Å; L519-L523 VanDerWaalsContact O-CG 3.26Å; L519-L523 WeakPolarHBondContact O-CG 3.39Å; L519-L523 PolarHBondContact O-N 3.22Å; L519-Y581 HydrophobicContact CB-CE1 4.33Å; L519-Y581 HydrophobicContact CD1-CE1 3.91Å
520	L	94.4	Very high	93.6	Very high	14 Å²	14	68 Å²	68	7%	0.073	33%	0.326	C	S	.	.	H	α-helix	trans	-65.1	-28.2	176.6	176.4	61.9	0	0	0	112.7	E516 K517 E518 K524 I578 Q582	E516-L520 WeakPolarHBondContact O-CB 3.4Å; E516-L520 PolarHBondContact O-N 2.93Å; K517-L520 PolarHBondContact O-N 2.64Å; E518-L520 PolarHBondContact O-N 2.94Å; L520-K524 WeakPolarHBondContact O-CD 3.43Å; L520-K524 WeakPolarHBondContact O-CE 3.33Å; L520-K524 VanDerWaalsContact O-CG 3.25Å; L520-K524 WeakPolarHBondContact O-CG 3.49Å; L520-I578 HydrophobicContact CD1-CB 4.23Å; L520-I578 HydrophobicContact CD1-CG1 4.29Å; L520-I578 HydrophobicContact CD1-CG2 3.94Å; L520-I578 WeakPolarHBondContact CD1-O 3.45Å; L520-Q582 HydrophobicContact CD1-CG 4.02Å; L520-Q582 HydrophobicContact CD2-CG 3.86Å
521	D	94.6	Very high	93.3	Very high	73 Å²	73	68.1 Å²	68.1	39%	0.39	33%	0.325	S	S	.	.	H	α-helix	trans	-81.2	-37.6	174.1	-71	-26.1	0	0	0	111.2	K517 E518 L519 K524 E525	K517-D521 PolarHBondContact O-N 3.18Å; E518-D521 PolarHBondContact O-N 3.06Å; E518-D521 VanDerWaalsContact O-N 3.15Å; L519-D521 VanDerWaalsContact C-N 3.26Å; L519-D521 PolarHBondContact O-N 2.86Å; D521-K524 PolarHBondContact O-N 3.02Å; D521-K524 IonicContact OD1-NZ 3.66Å; D521-K524 PolarHBondContact OD1-NZ 3.37Å; D521-E525 PolarHBondContact O-N 3.32Å; D521-E525 VanDerWaalsContact O-N 3.14Å
522	E	96.1	Very high	92.8	Very high	86 Å²	86	72.1 Å²	72.1	40%	0.402	33%	0.334	S	S	.	.	H	α-helix	trans	-61.4	-43.7	171.7	-168.7	-165.7	158	0	0	112.5	E518 L519 K524 E525 K526	E518-E522 PolarHBondContact O-N 3.15Å; L519-E522 PolarHBondContact O-N 3.43Å; E522-K524 VanDerWaalsContact C-N 3.31Å; E522-K524 PolarHBondContact O-N 3.49Å; E522-E525 PolarHBondContact O-N 2.8Å; E522-E525 VanDerWaalsContact O-N 3.13Å; E522-K526 PolarHBondContact O-N 2.84Å; E522-K526 WeakPolarHBondContact OE1-CE 3.21Å; E522-K526 IonicContact OE1-NZ 2.68Å; E522-K526 PolarHBondContact OE1-NZ 3.21Å
523	L	93.8	Very high	91.9	Very high	15 Å²	15	73 Å²	73	8%	0.079	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-36.3	177.1	-72.1	166.8	0	0	0	112.2	L519 K526 M527 L574 D577 I578 Y581	L519-L523 WeakPolarHBondContact O-CB 3.49Å; L519-L523 VanDerWaalsContact O-CG 3.26Å; L519-L523 WeakPolarHBondContact O-CG 3.39Å; L519-L523 PolarHBondContact O-N 3.22Å; L523-K526 PolarHBondContact O-N 3.33Å; L523-M527 WeakPolarHBondContact O-CB 3.25Å; L523-M527 PolarHBondContact O-N 3.48Å; L523-L574 HydrophobicContact CD2-CD2 3.5Å; L523-D577 HydrophobicContact CD1-CB 3.93Å; L523-D577 HydrophobicContact CD2-CB 4.4Å; L523-I578 HydrophobicContact CB-CD1 4.12Å; L523-I578 HydrophobicContact CB-CG1 3.66Å; L523-I578 HydrophobicContact CD1-CG1 4.4Å; L523-Y581 HydrophobicContact CD1-CD2 3.48Å; L523-Y581 VanDerWaalsContact CD1-CD2 3.48Å; L523-Y581 HydrophobicContact CD1-CE2 3.69Å; L523-Y581 HydrophobicContact CD1-CG 4.5Å
524	K	92.8	Very high	90.5	Very high	64 Å²	64	74.3 Å²	74.3	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-66.8	-37	173.5	-68.2	163.2	-158.1	155.3	0	111.7	L520 D521 E522 M527 Q528 I578	L520-K524 WeakPolarHBondContact O-CD 3.43Å; L520-K524 WeakPolarHBondContact O-CE 3.33Å; L520-K524 VanDerWaalsContact O-CG 3.25Å; L520-K524 WeakPolarHBondContact O-CG 3.49Å; D521-K524 PolarHBondContact O-N 3.02Å; D521-K524 IonicContact OD1-NZ 3.66Å; D521-K524 PolarHBondContact OD1-NZ 3.37Å; E522-K524 VanDerWaalsContact C-N 3.31Å; E522-K524 PolarHBondContact O-N 3.49Å; K524-M527 PolarHBondContact O-N 2.77Å; K524-Q528 VanDerWaalsContact O-CG 3.3Å; K524-Q528 WeakPolarHBondContact O-CG 3.34Å; K524-Q528 PolarHBondContact O-N 3.38Å; K524-I578 HydrophobicContact CG-CD1 4.22Å
525	E	94.8	Very high	88.6	Confident	134 Å²	134	76.1 Å²	76.1	63%	0.626	36%	0.363	S	S	*	.	H	α-helix	trans	-67	-42.7	176.4	-173.5	167.9	-168.2	0	0	111.3	D521 E522 Q528 S529	D521-E525 PolarHBondContact O-N 3.32Å; D521-E525 VanDerWaalsContact O-N 3.14Å; E522-E525 PolarHBondContact O-N 2.8Å; E522-E525 VanDerWaalsContact O-N 3.13Å; E525-Q528 PolarHBondContact O-N 3.31Å; E525-S529 PolarHBondContact O-N 3.33Å
526	K	93.9	Very high	86.6	Confident	90 Å²	90	75.8 Å²	75.8	39%	0.391	38%	0.378	S	S	.	.	H	α-helix	trans	-58.5	-49.3	171.7	-70.5	174.5	-174.8	167.5	0	111.7	E522 L523 Q528 S529 I530 L574	E522-K526 PolarHBondContact O-N 2.84Å; E522-K526 WeakPolarHBondContact OE1-CE 3.21Å; E522-K526 IonicContact OE1-NZ 2.68Å; E522-K526 PolarHBondContact OE1-NZ 3.21Å; L523-K526 PolarHBondContact O-N 3.33Å; K526-Q528 VanDerWaalsContact C-N 3.32Å; K526-Q528 PolarHBondContact O-N 2.83Å; K526-S529 WeakPolarHBondContact O-CA 3.42Å; K526-S529 WeakPolarHBondContact O-CB 3.44Å; K526-S529 PolarHBondContact O-N 2.78Å; K526-S529 PolarHBondContact O-OG 2.67Å; K526-I530 PolarHBondContact O-N 2.77Å; K526-L574 HydrophobicContact CB-CD1 3.94Å; K526-L574 HydrophobicContact CB-CD2 4.33Å
527	M	91.8	Very high	84.3	Confident	33 Å²	33	83.6 Å²	83.6	16%	0.163	41%	0.414	C	S	.	.	H	α-helix	trans	-57	-44.7	176.6	-174.8	176.4	67.1	0	0	111.7	L523 K524 S529 I530 E531 L574 L575 I578	L523-M527 WeakPolarHBondContact O-CB 3.25Å; L523-M527 PolarHBondContact O-N 3.48Å; K524-M527 PolarHBondContact O-N 2.77Å; M527-S529 VanDerWaalsContact C-N 3.29Å; M527-S529 PolarHBondContact O-N 2.83Å; M527-I530 PolarHBondContact O-N 3.26Å; M527-E531 PolarHBondContact O-N 2.88Å; M527-L574 HydrophobicContact CB-CD1 4.18Å; M527-L575 HydrophobicContact SD-CD2 3.53Å; M527-L575 VanDerWaalsContact SD-CD2 3.53Å; M527-L575 HydrophobicContact SD-CG 3.93Å; M527-I578 HydrophobicContact CB-CD1 4.32Å; M527-I578 HydrophobicContact CE-CD1 3.83Å; M527-I578 HydrophobicContact SD-CD1 3.7Å
528	Q	90.5	Very high	81.8	Confident	85 Å²	85	88.8 Å²	88.8	40%	0.397	44%	0.437	S	S	.	.	H	α-helix	trans	-66	-25.8	173.8	-71.4	175.9	32.9	0	0	113.9	K524 E525 K526 R532	K524-Q528 VanDerWaalsContact O-CG 3.3Å; K524-Q528 WeakPolarHBondContact O-CG 3.34Å; K524-Q528 PolarHBondContact O-N 3.38Å; E525-Q528 PolarHBondContact O-N 3.31Å; K526-Q528 VanDerWaalsContact C-N 3.32Å; K526-Q528 PolarHBondContact O-N 2.83Å; Q528-R532 VanDerWaalsContact C-NH1 3.31Å; Q528-R532 WeakPolarHBondContact O-CD 3.29Å; Q528-R532 WeakPolarHBondContact O-CG 3.25Å; Q528-R532 PolarHBondContact O-N 3.08Å; Q528-R532 PolarHBondContact O-NH1 2.77Å
529	S	90.6	Very high	79	Confident	53 Å²	53	88.2 Å²	88.2	37%	0.371	44%	0.444	S	S	.	.	H	α-helix	trans	-71.3	-43.5	173.9	72.4	0	0	0	0	111.5	E525 K526 M527 E531 R532 T533	E525-S529 PolarHBondContact O-N 3.33Å; K526-S529 WeakPolarHBondContact O-CA 3.42Å; K526-S529 WeakPolarHBondContact O-CB 3.44Å; K526-S529 PolarHBondContact O-N 2.78Å; K526-S529 PolarHBondContact O-OG 2.67Å; M527-S529 VanDerWaalsContact C-N 3.29Å; M527-S529 PolarHBondContact O-N 2.83Å; S529-E531 PolarHBondContact O-N 3.22Å; S529-R532 WeakPolarHBondContact O-CA 3.4Å; S529-R532 WeakPolarHBondContact O-CB 3.48Å; S529-R532 PolarHBondContact O-N 3.18Å; S529-T533 PolarHBondContact O-N 2.79Å; S529-T533 PolarHBondContact O-OG1 2.78Å
530	I	86.5	Confident	76.6	Confident	18 Å²	18	94.3 Å²	94.3	9%	0.092	47%	0.471	C	S	.	.	H	α-helix	trans	-62.4	-43.7	173.8	-59.6	-179.3	0	0	0	110.5	K526 M527 R532 T533 S534 N567 Q570 L574	K526-I530 PolarHBondContact O-N 2.77Å; M527-I530 PolarHBondContact O-N 3.26Å; I530-R532 PolarHBondContact O-N 3.18Å; I530-R532 VanDerWaalsContact O-N 3.11Å; I530-T533 WeakPolarHBondContact CA-OG1 3.25Å; I530-T533 PolarHBondContact O-N 3.16Å; I530-T533 PolarHBondContact O-OG1 3.08Å; I530-S534 WeakPolarHBondContact O-CB 3.4Å; I530-S534 PolarHBondContact O-N 3.41Å; I530-S534 PolarHBondContact O-OG 3.2Å; I530-N567 HydrophobicContact CG2-CB 4.04Å; I530-Q570 HydrophobicContact CD1-CB 3.85Å; I530-L574 HydrophobicContact CD1-CD1 3.74Å
531	E	85.1	Confident	73.9	Confident	93 Å²	93	102.9 Å²	102.9	44%	0.435	51%	0.511	S	S	.	.	H	α-helix	trans	-60.9	-17.5	172.2	-74.8	-173.1	179	0	0	114.2	M527 S529 K535	M527-E531 PolarHBondContact O-N 2.88Å; S529-E531 PolarHBondContact O-N 3.22Å; E531-K535 WeakPolarHBondContact O-CG 3.36Å; E531-K535 PolarHBondContact O-NZ 2.87Å
532	R	84.4	Confident	71	Confident	141 Å²	141	105.1 Å²	105.1	53%	0.532	53%	0.532	S	S	.	.	H	α-helix	trans	-88.8	-42.7	174.2	-72	165.2	-166.4	118.8	2.5	110.9	Q528 S529 I530 S534 K535	Q528-R532 VanDerWaalsContact C-NH1 3.31Å; Q528-R532 WeakPolarHBondContact O-CD 3.29Å; Q528-R532 WeakPolarHBondContact O-CG 3.25Å; Q528-R532 PolarHBondContact O-N 3.08Å; Q528-R532 PolarHBondContact O-NH1 2.77Å; S529-R532 WeakPolarHBondContact O-CA 3.4Å; S529-R532 WeakPolarHBondContact O-CB 3.48Å; S529-R532 PolarHBondContact O-N 3.18Å; I530-R532 PolarHBondContact O-N 3.18Å; I530-R532 VanDerWaalsContact O-N 3.11Å; R532-S534 VanDerWaalsContact C-N 3.32Å; R532-K535 PolarHBondContact O-N 3.49Å
533	T	76.8	Confident	68.7	Low	103 Å²	103	110.1 Å²	110.1	63%	0.632	56%	0.555	S	S	*	*	H	α-helix	trans	-73.2	-22	178.7	52.8	0	0	0	0	113.4	S529 I530 K535	S529-T533 PolarHBondContact O-N 2.79Å; S529-T533 PolarHBondContact O-OG1 2.78Å; I530-T533 WeakPolarHBondContact CA-OG1 3.25Å; I530-T533 PolarHBondContact O-N 3.16Å; I530-T533 PolarHBondContact O-OG1 3.08Å; T533-K535 VanDerWaalsContact C-N 3.3Å
534	S	64.4	Low	65.9	Low	56 Å²	56	117.5 Å²	117.5	39%	0.392	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.4	5.1	175	80.5	0	0	0	0	114.3	I530 R532	I530-S534 WeakPolarHBondContact O-CB 3.4Å; I530-S534 PolarHBondContact O-N 3.41Å; I530-S534 PolarHBondContact O-OG 3.2Å; R532-S534 VanDerWaalsContact C-N 3.32Å
535	K	56.4	Low	63.5	Low	128 Å²	128	122.2 Å²	122.2	56%	0.557	61%	0.612	S	S	*	*	S	Bend	trans	-97.8	120.6	176.5	-75	-179.4	176.7	81.5	0	109.3	E531 R532 T533 E537	E531-K535 WeakPolarHBondContact O-CG 3.36Å; E531-K535 PolarHBondContact O-NZ 2.87Å; R532-K535 PolarHBondContact O-N 3.49Å; T533-K535 VanDerWaalsContact C-N 3.3Å; K535-E537 PolarHBondContact O-N 3.3Å
536	P	54.2	Low	61	Low	122 Å²	122	120.3 Å²	120.3	79%	0.792	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-65.4	125.2	177.7	26.2	-33.6	0	0	0	110.3	K538	P536-K538 PolarHBondContact O-N 2.92Å
537	E	44.2	Very low	58.9	Low	173 Å²	173	124.3 Å²	124.3	81%	0.808	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-64.6	130.2	170.2	-67.3	-164.3	129.3	0	0	109.6	K535 S539	K535-E537 PolarHBondContact O-N 3.3Å; E537-S539 PolarHBondContact O-N 3.46Å
538	K	41.1	Very low	57	Low	213 Å²	213	128.5 Å²	128.5	93%	0.926	66%	0.655	S	S	*	*			trans	-78.4	64.2	172.9	-77.3	-167.6	171.9	-171.4	0	110.9	P536 Q540	P536-K538 PolarHBondContact O-N 2.92Å; K538-Q540 PolarHBondContact O-N 3.4Å
539	S	37.4	Very low	55.3	Low	91 Å²	91	126.5 Å²	126.5	64%	0.636	65%	0.651	S	S	*	*			trans	-78.2	114.4	172.9	-62.3	0	0	0	0	109.4	E537	E537-S539 PolarHBondContact O-N 3.46Å
540	Q	45.1	Very low	54	Low	196 Å²	196	129.8 Å²	129.8	92%	0.916	66%	0.66	S	S	*	*			trans	-71.9	122.4	165.4	-67.9	173.3	-114.6	0	0	108.5	K538	K538-Q540 PolarHBondContact O-N 3.4Å
541	E	37.2	Very low	53.3	Low	194 Å²	194	135.1 Å²	135.1	91%	0.907	69%	0.689	S	S	*	*			trans	-146.9	150	157.7	-139.3	155.9	-148.6	0	0	109.9
542	S	34.8	Very low	52.6	Low	119 Å²	119	134.3 Å²	134.3	83%	0.832	69%	0.693	S	S	*	*			trans	-86.8	161.1	-162.5	-61.9	0	0	0	0	113.9
543	E	46.7	Very low	52.3	Low	191 Å²	191	132.4 Å²	132.4	89%	0.893	69%	0.691	S	S	*	*			trans	-61.1	135.3	168.7	-54.1	168.2	113.1	0	0	111.6
544	E	36.2	Very low	52.4	Low	170 Å²	170	133.8 Å²	133.8	79%	0.794	69%	0.688	S	S	*	*			trans	-165.5	119.1	137.5	-113.6	173.8	176.7	0	0	113.5
545	Q	41.7	Very low	53.2	Low	163 Å²	163	136.1 Å²	136.1	76%	0.762	69%	0.693	S	S	*	*			trans	36.2	137	144.1	-55.9	-176	37.3	0	0	121.5
546	T	42	Very low	54.5	Low	95 Å²	95	135.7 Å²	135.7	58%	0.583	69%	0.691	S	S	*	*			cis	-167.1	143.2	-5.9	16.6	0	0	0	0	110.6	T548	T546-T548 VanDerWaalsContact C-N 3.27Å; T546-T548 PolarHBondContact O-N 2.89Å
547	K	50.4	Low	55.9	Low	173 Å²	173	134.3 Å²	134.3	75%	0.752	68%	0.676	S	S	*	*	S	Bend	trans	52.5	6.6	148.8	-78	-166	169.4	-172	0	122.3
548	T	51.3	Low	57.8	Low	121 Å²	121	130.1 Å²	130.1	74%	0.742	66%	0.657	S	S	*	*	S	Bend	trans	-116.5	-0.6	149.7	51.9	0	0	0	0	112.2	T546 S552	T546-T548 VanDerWaalsContact C-N 3.27Å; T546-T548 PolarHBondContact O-N 2.89Å; T548-S552 PolarHBondContact O-OG 3.3Å
549	S	54.7	Low	59.9	Low	44 Å²	44	126.3 Å²	126.3	31%	0.308	64%	0.636	S	S	.	*	H	α-helix	trans	-77.2	-38.7	177.9	70.6	0	0	0	0	112.3	D551 S552 E553	S549-D551 VanDerWaalsContact C-N 3.32Å; S549-D551 PolarHBondContact O-N 3.13Å; S549-D551 VanDerWaalsContact O-N 3.14Å; S549-S552 CarbonylContact O-C 3.58Å; S549-S552 WeakPolarHBondContact O-CA 3.45Å; S549-S552 WeakPolarHBondContact O-CB 3.44Å; S549-S552 PolarHBondContact O-N 3.37Å; S549-E553 WeakPolarHBondContact CB-OE1 3.41Å; S549-E553 WeakPolarHBondContact O-CB 3.37Å; S549-E553 WeakPolarHBondContact O-CG 3.35Å; S549-E553 PolarHBondContact O-N 2.95Å; S549-E553 PolarHBondContact OG-OE1 3.14Å
550	E	63.8	Low	62.1	Low	121 Å²	121	126.7 Å²	126.7	57%	0.565	63%	0.628	S	S	*	*	H	α-helix	trans	-47.8	-46.8	-175.9	-65.2	171.5	-152.1	0	0	113.6	E553 F554	E550-E553 PolarHBondContact O-N 2.9Å; E550-F554 WeakPolarHBondContact O-CB 3.48Å; E550-F554 PolarHBondContact O-N 2.62Å
551	D	72.1	Confident	64.1	Low	130 Å²	130	122.2 Å²	122.2	70%	0.695	61%	0.61	S	S	*	*	H	α-helix	trans	-73.5	-30.8	179.5	-155.7	48.1	0	0	0	112.3	S549 Q555	S549-D551 VanDerWaalsContact C-N 3.32Å; S549-D551 PolarHBondContact O-N 3.13Å; S549-D551 VanDerWaalsContact O-N 3.14Å; D551-Q555 WeakPolarHBondContact O-CB 3.33Å; D551-Q555 PolarHBondContact O-N 3.34Å
552	S	69.4	Low	66.5	Low	77 Å²	77	118.4 Å²	118.4	54%	0.538	59%	0.59	S	S	.	*	H	α-helix	trans	-75.2	-34.7	174.6	-58.4	0	0	0	0	112.4	T548 S549 K556	T548-S552 PolarHBondContact O-OG 3.3Å; S549-S552 CarbonylContact O-C 3.58Å; S549-S552 WeakPolarHBondContact O-CA 3.45Å; S549-S552 WeakPolarHBondContact O-CB 3.44Å; S549-S552 PolarHBondContact O-N 3.37Å; S552-K556 WeakPolarHBondContact O-CB 3.27Å; S552-K556 PolarHBondContact O-N 3.42Å
553	E	78.9	Confident	68.9	Low	101 Å²	101	117.4 Å²	117.4	47%	0.472	57%	0.572	S	S	.	*	H	α-helix	trans	-69.8	-45.2	172.9	-72.2	168.5	-127.1	0	0	110.2	S549 E550 Q555 K556 L557	S549-E553 WeakPolarHBondContact CB-OE1 3.41Å; S549-E553 WeakPolarHBondContact O-CB 3.37Å; S549-E553 WeakPolarHBondContact O-CG 3.35Å; S549-E553 PolarHBondContact O-N 2.95Å; S549-E553 PolarHBondContact OG-OE1 3.14Å; E550-E553 PolarHBondContact O-N 2.9Å; E553-Q555 VanDerWaalsContact C-N 3.35Å; E553-Q555 PolarHBondContact O-N 2.72Å; E553-K556 WeakPolarHBondContact O-CA 3.38Å; E553-K556 WeakPolarHBondContact O-CB 3.32Å; E553-K556 PolarHBondContact O-N 3.48Å; E553-K556 VanDerWaalsContact O-N 3.09Å; E553-L557 WeakPolarHBondContact O-CG 3.25Å; E553-L557 PolarHBondContact O-N 3.49Å
554	F	79.5	Confident	70.8	Confident	131 Å²	131	114.1 Å²	114.1	58%	0.575	56%	0.557	S	S	*	*	H	α-helix	trans	-59.9	-45.7	173.8	-164.8	-87.4	0	0	0	111	E550 K556 L557 E558	E550-F554 WeakPolarHBondContact O-CB 3.48Å; E550-F554 PolarHBondContact O-N 2.62Å; F554-K556 VanDerWaalsContact C-N 3.28Å; F554-K556 PolarHBondContact O-N 3.09Å; F554-L557 PolarHBondContact O-N 2.79Å; F554-E558 HydrophobicContact CE1-CG 4.47Å; F554-E558 WeakPolarHBondContact O-CB 3.37Å; F554-E558 PolarHBondContact O-N 3.43Å
555	Q	80.4	Confident	73.3	Confident	106 Å²	106	112.6 Å²	112.6	50%	0.495	55%	0.55	S	S	.	.	H	α-helix	trans	-68.8	-24	175.6	-156.8	-165	95.2	0	0	113.3	D551 E553 R559	D551-Q555 WeakPolarHBondContact O-CB 3.33Å; D551-Q555 PolarHBondContact O-N 3.34Å; E553-Q555 VanDerWaalsContact C-N 3.35Å; E553-Q555 PolarHBondContact O-N 2.72Å; Q555-R559 WeakPolarHBondContact O-CG 3.47Å; Q555-R559 PolarHBondContact O-N 2.75Å; Q555-R559 PolarHBondContact O-NE 2.7Å; Q555-R559 PolarHBondContact O-NH2 2.69Å
556	K	83.8	Confident	75.5	Confident	119 Å²	119	109.5 Å²	109.5	52%	0.517	54%	0.535	S	S	.	.	H	α-helix	trans	-69.4	-52	168.9	-175.1	-162.5	168.2	-158.1	0	110.4	S552 E553 F554 E558 R559 E560	S552-K556 WeakPolarHBondContact O-CB 3.27Å; S552-K556 PolarHBondContact O-N 3.42Å; E553-K556 WeakPolarHBondContact O-CA 3.38Å; E553-K556 WeakPolarHBondContact O-CB 3.32Å; E553-K556 PolarHBondContact O-N 3.48Å; E553-K556 VanDerWaalsContact O-N 3.09Å; F554-K556 VanDerWaalsContact C-N 3.28Å; F554-K556 PolarHBondContact O-N 3.09Å; K556-E558 VanDerWaalsContact C-N 3.28Å; K556-E558 PolarHBondContact O-N 2.86Å; K556-R559 WeakPolarHBondContact O-CA 3.39Å; K556-R559 WeakPolarHBondContact O-CB 3.3Å; K556-R559 PolarHBondContact O-N 3.3Å; K556-E560 WeakPolarHBondContact CE-OE2 3.43Å; K556-E560 IonicContact NZ-OE2 2.67Å; K556-E560 WeakPolarHBondContact O-CB 3.2Å; K556-E560 PolarHBondContact O-N 2.87Å
557	L	83.5	Confident	77.7	Confident	92 Å²	92	106.3 Å²	106.3	48%	0.482	52%	0.515	S	S	.	.	H	α-helix	trans	-58.8	-39.2	177.8	-70.4	167	0	0	0	111.6	E553 F554 R559 E560 I561	E553-L557 WeakPolarHBondContact O-CG 3.25Å; E553-L557 PolarHBondContact O-N 3.49Å; F554-L557 PolarHBondContact O-N 2.79Å; L557-R559 VanDerWaalsContact C-N 3.3Å; L557-R559 PolarHBondContact O-N 2.85Å; L557-E560 PolarHBondContact O-N 3.31Å; L557-I561 WeakPolarHBondContact O-CB 3.32Å; L557-I561 VanDerWaalsContact O-CG1 3.25Å; L557-I561 WeakPolarHBondContact O-CG1 3.39Å; L557-I561 PolarHBondContact O-N 2.84Å
558	E	83.9	Confident	79.5	Confident	85 Å²	85	103.6 Å²	103.6	40%	0.397	51%	0.505	S	S	.	.	H	α-helix	trans	-61.8	-36.6	174.8	-123.8	-158.1	-141.9	0	0	112.7	F554 K556 K562	F554-E558 HydrophobicContact CE1-CG 4.47Å; F554-E558 WeakPolarHBondContact O-CB 3.37Å; F554-E558 PolarHBondContact O-N 3.43Å; K556-E558 VanDerWaalsContact C-N 3.28Å; K556-E558 PolarHBondContact O-N 2.86Å; E558-K562 WeakPolarHBondContact O-CB 3.43Å; E558-K562 VanDerWaalsContact O-CD 3.23Å; E558-K562 WeakPolarHBondContact O-CD 3.27Å; E558-K562 WeakPolarHBondContact O-CG 3.45Å; E558-K562 PolarHBondContact O-N 2.71Å; E558-K562 IonicContact OE2-NZ 3.67Å; E558-K562 PolarHBondContact OE2-NZ 2.93Å
559	R	84.8	Confident	81.4	Confident	133 Å²	133	100.7 Å²	100.7	50%	0.502	49%	0.489	S	S	.	.	H	α-helix	trans	-74.9	-35.8	174.9	-74.2	-177.9	-105.6	101.3	-2	111.9	Q555 K556 L557 Q563	Q555-R559 WeakPolarHBondContact O-CG 3.47Å; Q555-R559 PolarHBondContact O-N 2.75Å; Q555-R559 PolarHBondContact O-NE 2.7Å; Q555-R559 PolarHBondContact O-NH2 2.69Å; K556-R559 WeakPolarHBondContact O-CA 3.39Å; K556-R559 WeakPolarHBondContact O-CB 3.3Å; K556-R559 PolarHBondContact O-N 3.3Å; L557-R559 VanDerWaalsContact C-N 3.3Å; L557-R559 PolarHBondContact O-N 2.85Å; R559-Q563 WeakPolarHBondContact O-CB 3.47Å; R559-Q563 PolarHBondContact O-N 2.71Å
560	E	85.1	Confident	83.2	Confident	100 Å²	100	101.9 Å²	101.9	47%	0.467	49%	0.49	S	S	.	.	H	α-helix	trans	-67.4	-46.2	178.1	-160.1	160	172.8	0	0	111.1	K556 L557 Q563 E564	K556-E560 WeakPolarHBondContact CE-OE2 3.43Å; K556-E560 IonicContact NZ-OE2 2.67Å; K556-E560 WeakPolarHBondContact O-CB 3.2Å; K556-E560 PolarHBondContact O-N 2.87Å; L557-E560 PolarHBondContact O-N 3.31Å; E560-Q563 PolarHBondContact O-N 3.36Å; E560-E564 PolarHBondContact O-N 3.11Å
561	I	85.4	Confident	84.5	Confident	102 Å²	102	97.4 Å²	97.4	52%	0.523	47%	0.472	S	S	.	.	H	α-helix	trans	-61.9	-44	174.2	-68.4	164.1	0	0	0	111.4	L557 Q563 E564 E565	L557-I561 WeakPolarHBondContact O-CB 3.32Å; L557-I561 VanDerWaalsContact O-CG1 3.25Å; L557-I561 WeakPolarHBondContact O-CG1 3.39Å; L557-I561 PolarHBondContact O-N 2.84Å; I561-Q563 VanDerWaalsContact C-N 3.3Å; I561-Q563 PolarHBondContact O-N 3.47Å; I561-E564 PolarHBondContact O-N 2.86Å; I561-E565 WeakPolarHBondContact O-CB 3.36Å; I561-E565 PolarHBondContact O-N 2.91Å
562	K	88.1	Confident	85.5	Confident	114 Å²	114	95.9 Å²	95.9	50%	0.496	46%	0.461	S	S	.	.	H	α-helix	trans	-63.6	-36.4	176.7	-74.2	165.4	-172.3	167.2	0	112.1	E558 E566	E558-K562 WeakPolarHBondContact O-CB 3.43Å; E558-K562 VanDerWaalsContact O-CD 3.23Å; E558-K562 WeakPolarHBondContact O-CD 3.27Å; E558-K562 WeakPolarHBondContact O-CG 3.45Å; E558-K562 PolarHBondContact O-N 2.71Å; E558-K562 IonicContact OE2-NZ 3.67Å; E558-K562 PolarHBondContact OE2-NZ 2.93Å; K562-E566 WeakPolarHBondContact O-CB 3.18Å; K562-E566 PolarHBondContact O-N 3.31Å
563	Q	85.9	Confident	86.7	Confident	97 Å²	97	97.4 Å²	97.4	45%	0.453	46%	0.459	S	S	.	.	H	α-helix	trans	-70.9	-35.8	174.3	-170.4	64.8	78.4	0	0	112	R559 E560 I561 N567	R559-Q563 WeakPolarHBondContact O-CB 3.47Å; R559-Q563 PolarHBondContact O-N 2.71Å; E560-Q563 PolarHBondContact O-N 3.36Å; I561-Q563 VanDerWaalsContact C-N 3.3Å; I561-Q563 PolarHBondContact O-N 3.47Å; Q563-N567 PolarHBondContact NE2-OD1 3.02Å; Q563-N567 VanDerWaalsContact O-CB 3.27Å; Q563-N567 WeakPolarHBondContact O-CB 3.42Å; Q563-N567 PolarHBondContact O-N 3.03Å; Q563-N567 PolarHBondContact O-ND2 3.46Å; Q563-N567 PolarHBondContact O-OD1 2.9Å
564	E	85.6	Confident	87.4	Confident	122 Å²	122	93.7 Å²	93.7	57%	0.57	44%	0.442	S	S	*	.	H	α-helix	trans	-67.7	-43.5	175	-171	169.8	-151.5	0	0	111.8	E560 I561 N567 E568	E560-E564 PolarHBondContact O-N 3.11Å; I561-E564 PolarHBondContact O-N 2.86Å; E564-N567 PolarHBondContact O-N 3.44Å; E564-E568 PolarHBondContact O-N 3Å
565	E	88.3	Confident	88.1	Confident	139 Å²	139	91.8 Å²	91.8	65%	0.65	44%	0.438	S	S	*	.	H	α-helix	trans	-60.7	-43.2	173.3	-174.2	177.5	-167.1	0	0	111.6	I561 E568 S569	I561-E565 WeakPolarHBondContact O-CB 3.36Å; I561-E565 PolarHBondContact O-N 2.91Å; E565-E568 PolarHBondContact O-N 3.17Å; E565-S569 WeakPolarHBondContact O-CB 3.43Å; E565-S569 PolarHBondContact O-N 2.78Å
566	E	88.6	Confident	88.8	Confident	98 Å²	98	93.7 Å²	93.7	46%	0.458	44%	0.44	S	S	.	.	H	α-helix	trans	-63.8	-47.3	174.2	-163.4	-172.7	159.7	0	0	111.3	K562 E568 S569 Q570	K562-E566 WeakPolarHBondContact O-CB 3.18Å; K562-E566 PolarHBondContact O-N 3.31Å; E566-E568 VanDerWaalsContact C-N 3.32Å; E566-E568 PolarHBondContact O-N 2.76Å; E566-S569 PolarHBondContact O-N 2.79Å; E566-S569 VanDerWaalsContact O-N 3.13Å; E566-S569 PolarHBondContact O-OG 3.31Å; E566-Q570 WeakPolarHBondContact O-CG 3.47Å; E566-Q570 PolarHBondContact O-N 2.99Å; E566-Q570 PolarHBondContact OE1-NE2 2.66Å
567	N	87.8	Confident	89.3	Confident	28 Å²	28	91.1 Å²	91.1	15%	0.15	43%	0.432	C	S	.	.	H	α-helix	trans	-59.7	-39.3	177.6	-71.3	-15.7	0	0	0	112.2	I530 Q563 E564 S571	I530-N567 HydrophobicContact CG2-CB 4.04Å; Q563-N567 PolarHBondContact NE2-OD1 3.02Å; Q563-N567 VanDerWaalsContact O-CB 3.27Å; Q563-N567 WeakPolarHBondContact O-CB 3.42Å; Q563-N567 PolarHBondContact O-N 3.03Å; Q563-N567 PolarHBondContact O-ND2 3.46Å; Q563-N567 PolarHBondContact O-OD1 2.9Å; E564-N567 PolarHBondContact O-N 3.44Å; N567-S571 WeakPolarHBondContact O-CB 3.21Å; N567-S571 PolarHBondContact O-N 2.87Å
568	E	89	Confident	89.9	Confident	116 Å²	116	87.3 Å²	87.3	54%	0.542	41%	0.412	S	S	.	.	H	α-helix	trans	-65.8	-44.8	174.5	-160	-165.6	152	0	0	110.5	E564 E565 E566 Q570 S571 Q572	E564-E568 PolarHBondContact O-N 3Å; E565-E568 PolarHBondContact O-N 3.17Å; E566-E568 VanDerWaalsContact C-N 3.32Å; E566-E568 PolarHBondContact O-N 2.76Å; E568-Q570 VanDerWaalsContact C-N 3.34Å; E568-Q570 PolarHBondContact O-N 2.75Å; E568-S571 WeakPolarHBondContact O-CB 3.25Å; E568-S571 PolarHBondContact O-N 2.61Å; E568-S571 VanDerWaalsContact O-N 3.14Å; E568-Q572 WeakPolarHBondContact O-CG 3.4Å; E568-Q572 PolarHBondContact O-N 3.08Å; E568-Q572 PolarHBondContact OE1-NE2 2.69Å
569	S	91.1	Very high	90.4	Very high	59 Å²	59	85 Å²	85	41%	0.413	41%	0.408	S	S	.	.	H	α-helix	trans	-60.3	-42.1	178.4	79.4	0	0	0	0	112.6	E565 E566 Q572 E573	E565-S569 WeakPolarHBondContact O-CB 3.43Å; E565-S569 PolarHBondContact O-N 2.78Å; E566-S569 PolarHBondContact O-N 2.79Å; E566-S569 VanDerWaalsContact O-N 3.13Å; E566-S569 PolarHBondContact O-OG 3.31Å; S569-Q572 PolarHBondContact O-N 3.04Å; S569-E573 PolarHBondContact O-N 3.32Å
570	Q	92.1	Very high	90.8	Very high	70 Å²	70	83.3 Å²	83.3	33%	0.327	41%	0.406	S	S	.	.	H	α-helix	trans	-65.4	-40.7	174.4	-68.1	-180	18.8	0	0	111.4	I530 E566 E568 E573 L574	I530-Q570 HydrophobicContact CD1-CB 3.85Å; E566-Q570 WeakPolarHBondContact O-CG 3.47Å; E566-Q570 PolarHBondContact O-N 2.99Å; E566-Q570 PolarHBondContact OE1-NE2 2.66Å; E568-Q570 VanDerWaalsContact C-N 3.34Å; E568-Q570 PolarHBondContact O-N 2.75Å; Q570-E573 PolarHBondContact O-N 2.93Å; Q570-L574 WeakPolarHBondContact O-CG 3.42Å; Q570-L574 PolarHBondContact O-N 2.96Å
571	S	91.4	Very high	91.2	Very high	27 Å²	27	81.7 Å²	81.7	19%	0.189	40%	0.396	C	S	.	.	H	α-helix	trans	-62.9	-43.2	174.8	-171.4	0	0	0	0	112.1	N567 E568 E573 L574 L575	N567-S571 WeakPolarHBondContact O-CB 3.21Å; N567-S571 PolarHBondContact O-N 2.87Å; E568-S571 WeakPolarHBondContact O-CB 3.25Å; E568-S571 PolarHBondContact O-N 2.61Å; E568-S571 VanDerWaalsContact O-N 3.14Å; S571-E573 VanDerWaalsContact C-N 3.3Å; S571-E573 PolarHBondContact O-N 3.46Å; S571-L574 PolarHBondContact O-N 3.23Å; S571-L575 WeakPolarHBondContact O-CB 3.48Å; S571-L575 WeakPolarHBondContact O-CG 3.43Å; S571-L575 PolarHBondContact O-N 2.95Å
572	Q	92.3	Very high	91.6	Very high	98 Å²	98	81.4 Å²	81.4	46%	0.458	39%	0.392	S	S	.	.	H	α-helix	trans	-65.7	-29	174.3	-68.4	-175.1	23.2	0	0	112.8	E568 S569 R576	E568-Q572 WeakPolarHBondContact O-CG 3.4Å; E568-Q572 PolarHBondContact O-N 3.08Å; E568-Q572 PolarHBondContact OE1-NE2 2.69Å; S569-Q572 PolarHBondContact O-N 3.04Å; Q572-R576 WeakPolarHBondContact O-CG 3.15Å; Q572-R576 PolarHBondContact O-N 2.92Å; Q572-R576 PolarHBondContact O-NE 3.28Å
573	E	94.3	Very high	91.9	Very high	109 Å²	109	82.1 Å²	82.1	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-71.3	-52	170.7	-168.9	158.7	-135.1	0	0	112	S569 Q570 S571 L575 R576 D577	S569-E573 PolarHBondContact O-N 3.32Å; Q570-E573 PolarHBondContact O-N 2.93Å; S571-E573 VanDerWaalsContact C-N 3.3Å; S571-E573 PolarHBondContact O-N 3.46Å; E573-L575 PolarHBondContact O-N 3.22Å; E573-R576 VanDerWaalsContact CA-NH2 3.35Å; E573-R576 WeakPolarHBondContact O-CA 3.43Å; E573-R576 WeakPolarHBondContact O-CB 3.29Å; E573-R576 PolarHBondContact O-N 3.15Å; E573-D577 PolarHBondContact O-N 2.92Å
574	L	94.8	Very high	92.3	Very high	22 Å²	22	80.8 Å²	80.8	12%	0.115	39%	0.387	C	S	.	.	H	α-helix	trans	-55.7	-38.2	176.2	-68.6	175.7	0	0	0	112.4	L523 K526 M527 I530 Q570 S571 R576 D577 I578	L523-L574 HydrophobicContact CD2-CD2 3.5Å; K526-L574 HydrophobicContact CB-CD1 3.94Å; K526-L574 HydrophobicContact CB-CD2 4.33Å; M527-L574 HydrophobicContact CB-CD1 4.18Å; I530-L574 HydrophobicContact CD1-CD1 3.74Å; Q570-L574 WeakPolarHBondContact O-CG 3.42Å; Q570-L574 PolarHBondContact O-N 2.96Å; S571-L574 PolarHBondContact O-N 3.23Å; L574-R576 PolarHBondContact O-N 2.69Å; L574-D577 PolarHBondContact O-N 3.44Å; L574-I578 VanDerWaalsContact O-CB 3.25Å; L574-I578 WeakPolarHBondContact O-CB 3.44Å; L574-I578 WeakPolarHBondContact O-CD1 3.32Å; L574-I578 WeakPolarHBondContact O-CG1 3.21Å; L574-I578 PolarHBondContact O-N 2.9Å
575	L	94.3	Very high	92.6	Very high	92 Å²	92	75.4 Å²	75.4	48%	0.482	36%	0.363	S	S	.	.	H	α-helix	trans	-64.5	-35.4	175.1	-78.6	168	0	0	0	113.2	M527 S571 E573 A579	M527-L575 HydrophobicContact SD-CD2 3.53Å; M527-L575 VanDerWaalsContact SD-CD2 3.53Å; M527-L575 HydrophobicContact SD-CG 3.93Å; S571-L575 WeakPolarHBondContact O-CB 3.48Å; S571-L575 WeakPolarHBondContact O-CG 3.43Å; S571-L575 PolarHBondContact O-N 2.95Å; E573-L575 PolarHBondContact O-N 3.22Å; L575-A579 WeakPolarHBondContact O-CB 3.47Å; L575-A579 PolarHBondContact O-N 3.37Å; L575-A579 VanDerWaalsContact O-N 3.12Å
576	R	94.7	Very high	92.9	Very high	146 Å²	146	73.4 Å²	73.4	55%	0.551	36%	0.356	S	S	*	.	H	α-helix	trans	-69.5	-44.4	175.5	-75.3	174.3	-75	163.8	1.9	111	Q572 E573 L574 A579 E580	Q572-R576 WeakPolarHBondContact O-CG 3.15Å; Q572-R576 PolarHBondContact O-N 2.92Å; Q572-R576 PolarHBondContact O-NE 3.28Å; E573-R576 VanDerWaalsContact CA-NH2 3.35Å; E573-R576 WeakPolarHBondContact O-CA 3.43Å; E573-R576 WeakPolarHBondContact O-CB 3.29Å; E573-R576 PolarHBondContact O-N 3.15Å; L574-R576 PolarHBondContact O-N 2.69Å; R576-A579 PolarHBondContact O-N 3.36Å; R576-E580 PolarHBondContact O-N 2.84Å
577	D	94.9	Very high	93.1	Very high	65 Å²	65	73 Å²	73	35%	0.348	36%	0.36	S	S	.	.	H	α-helix	trans	-63.6	-47.1	176.5	-76.2	7.7	0	0	0	111.8	L523 E573 L574 A579 E580 Y581	L523-D577 HydrophobicContact CD1-CB 3.93Å; L523-D577 HydrophobicContact CD2-CB 4.4Å; E573-D577 PolarHBondContact O-N 2.92Å; L574-D577 PolarHBondContact O-N 3.44Å; D577-A579 PolarHBondContact O-N 2.76Å; D577-E580 WeakPolarHBondContact O-CA 3.47Å; D577-E580 WeakPolarHBondContact O-CB 3.2Å; D577-E580 PolarHBondContact O-N 3.25Å; D577-Y581 VanDerWaalsContact O-CD2 3.29Å; D577-Y581 WeakPolarHBondContact O-CD2 3.4Å; D577-Y581 PolarHBondContact O-N 3.45Å
578	I	95.1	Very high	93.3	Very high	12 Å²	12	73.7 Å²	73.7	6%	0.062	36%	0.36	C	S	.	.	H	α-helix	trans	-56.1	-41	175.2	-76	168.4	0	0	0	110.7	L520 L523 K524 M527 L574 Q582	L520-I578 HydrophobicContact CD1-CB 4.23Å; L520-I578 HydrophobicContact CD1-CG1 4.29Å; L520-I578 HydrophobicContact CD1-CG2 3.94Å; L520-I578 WeakPolarHBondContact CD1-O 3.45Å; L523-I578 HydrophobicContact CB-CD1 4.12Å; L523-I578 HydrophobicContact CB-CG1 3.66Å; L523-I578 HydrophobicContact CD1-CG1 4.4Å; K524-I578 HydrophobicContact CG-CD1 4.22Å; M527-I578 HydrophobicContact CB-CD1 4.32Å; M527-I578 HydrophobicContact CE-CD1 3.83Å; M527-I578 HydrophobicContact SD-CD1 3.7Å; L574-I578 VanDerWaalsContact O-CB 3.25Å; L574-I578 WeakPolarHBondContact O-CB 3.44Å; L574-I578 WeakPolarHBondContact O-CD1 3.32Å; L574-I578 WeakPolarHBondContact O-CG1 3.21Å; L574-I578 PolarHBondContact O-N 2.9Å; I578-Q582 WeakPolarHBondContact O-CB 3.47Å; I578-Q582 WeakPolarHBondContact O-CG 3.2Å; I578-Q582 PolarHBondContact O-N 2.97Å; I578-Q582 VanDerWaalsContact O-N 3.15Å; I578-Q582 PolarHBondContact O-NE2 3.15Å
579	A	94.4	Very high	93.6	Very high	36 Å²	36	72.7 Å²	72.7	30%	0.298	35%	0.354	S	S	.	.	H	α-helix	trans	-69.6	-32.1	174.9	0	0	0	0	0	112.6	L575 R576 D577 R583	L575-A579 WeakPolarHBondContact O-CB 3.47Å; L575-A579 PolarHBondContact O-N 3.37Å; L575-A579 VanDerWaalsContact O-N 3.12Å; R576-A579 PolarHBondContact O-N 3.36Å; D577-A579 PolarHBondContact O-N 2.76Å; A579-R583 WeakPolarHBondContact O-CG 3.43Å; A579-R583 PolarHBondContact O-N 3.45Å; A579-R583 VanDerWaalsContact O-N 3.17Å; A579-R583 PolarHBondContact O-NH1 2.95Å; A579-R583 VanDerWaalsContact O-NH1 3.1Å
580	E	94.3	Very high	93.8	Very high	98 Å²	98	74.9 Å²	74.9	46%	0.458	36%	0.358	S	S	.	.	H	α-helix	trans	-69.3	-53.4	174.9	-175.3	133.3	149.3	0	0	112.6	R576 D577 Q582 R583 L584	R576-E580 PolarHBondContact O-N 2.84Å; D577-E580 WeakPolarHBondContact O-CA 3.47Å; D577-E580 WeakPolarHBondContact O-CB 3.2Å; D577-E580 PolarHBondContact O-N 3.25Å; E580-Q582 PolarHBondContact O-N 2.89Å; E580-R583 VanDerWaalsContact CA-CZ 3.49Å; E580-R583 WeakPolarHBondContact O-CA 3.25Å; E580-R583 WeakPolarHBondContact O-CB 3.25Å; E580-R583 PolarHBondContact O-N 3.28Å; E580-R583 IonicContact OE2-CZ 2.6Å; E580-R583 IonicContact OE2-NH2 3.57Å; E580-R583 PolarHBondContact OE2-NH2 3.13Å; E580-L584 HydrophobicContact CG-CD1 3.96Å; E580-L584 HydrophobicContact CG-CG 4.28Å; E580-L584 WeakPolarHBondContact O-CG 3.41Å; E580-L584 PolarHBondContact O-N 3.21Å
581	Y	93.5	Very high	93.8	Very high	66 Å²	66	76.2 Å²	76.2	26%	0.259	36%	0.36	S	S	.	.	H	α-helix	trans	-59.9	-30.4	177	-75.5	-75.5	0	0	0	111.9	E516 L519 L523 D577 L584 S585	E516-Y581 HydrophobicContact CB-CD1 4.27Å; E516-Y581 HydrophobicContact CG-CD1 4.19Å; L519-Y581 HydrophobicContact CB-CE1 4.33Å; L519-Y581 HydrophobicContact CD1-CE1 3.91Å; L523-Y581 HydrophobicContact CD1-CD2 3.48Å; L523-Y581 VanDerWaalsContact CD1-CD2 3.48Å; L523-Y581 HydrophobicContact CD1-CE2 3.69Å; L523-Y581 HydrophobicContact CD1-CG 4.5Å; D577-Y581 VanDerWaalsContact O-CD2 3.29Å; D577-Y581 WeakPolarHBondContact O-CD2 3.4Å; D577-Y581 PolarHBondContact O-N 3.45Å; Y581-L584 HydrophobicContact CD1-CD1 4.41Å; Y581-S585 WeakPolarHBondContact O-CB 3.48Å; Y581-S585 PolarHBondContact O-N 3.16Å
582	Q	92.6	Very high	93.9	Very high	95 Å²	95	75.6 Å²	75.6	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-65	-44.3	169.4	-76.4	174.4	39.5	0	0	113.2	L520 I578 E580 I586	L520-Q582 HydrophobicContact CD1-CG 4.02Å; L520-Q582 HydrophobicContact CD2-CG 3.86Å; I578-Q582 WeakPolarHBondContact O-CB 3.47Å; I578-Q582 WeakPolarHBondContact O-CG 3.2Å; I578-Q582 PolarHBondContact O-N 2.97Å; I578-Q582 VanDerWaalsContact O-N 3.15Å; I578-Q582 PolarHBondContact O-NE2 3.15Å; E580-Q582 PolarHBondContact O-N 2.89Å; Q582-I586 WeakPolarHBondContact O-CG1 3.3Å; Q582-I586 PolarHBondContact O-N 3.34Å
583	R	94.3	Very high	94	Very high	130 Å²	130	76.8 Å²	76.8	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-50.8	175.1	-70.2	-178.2	-56.6	-93	10.7	111.1	A579 E580 S585 I586 T587	A579-R583 WeakPolarHBondContact O-CG 3.43Å; A579-R583 PolarHBondContact O-N 3.45Å; A579-R583 VanDerWaalsContact O-N 3.17Å; A579-R583 PolarHBondContact O-NH1 2.95Å; A579-R583 VanDerWaalsContact O-NH1 3.1Å; E580-R583 VanDerWaalsContact CA-CZ 3.49Å; E580-R583 WeakPolarHBondContact O-CA 3.25Å; E580-R583 WeakPolarHBondContact O-CB 3.25Å; E580-R583 PolarHBondContact O-N 3.28Å; E580-R583 IonicContact OE2-CZ 2.6Å; E580-R583 IonicContact OE2-NH2 3.57Å; E580-R583 PolarHBondContact OE2-NH2 3.13Å; R583-S585 VanDerWaalsContact C-N 3.33Å; R583-S585 PolarHBondContact O-N 3.13Å; R583-I586 PolarHBondContact O-N 3.49Å; R583-I586 VanDerWaalsContact O-N 3.08Å; R583-T587 PolarHBondContact O-N 3.03Å; R583-T587 VanDerWaalsContact O-N 3.08Å; R583-T587 PolarHBondContact O-OG1 2.86Å
584	L	94.2	Very high	94	Very high	69 Å²	69	74.7 Å²	74.7	36%	0.361	36%	0.356	S	S	.	.	H	α-helix	trans	-56.2	-47.5	177.8	-67.4	172.6	0	0	0	111.2	E580 Y581 I586 T587 R588	E580-L584 HydrophobicContact CG-CD1 3.96Å; E580-L584 HydrophobicContact CG-CG 4.28Å; E580-L584 WeakPolarHBondContact O-CG 3.41Å; E580-L584 PolarHBondContact O-N 3.21Å; Y581-L584 HydrophobicContact CD1-CD1 4.41Å; L584-I586 PolarHBondContact O-N 3.13Å; L584-T587 PolarHBondContact O-N 3.29Å; L584-R588 VanDerWaalsContact O-CB 3.26Å; L584-R588 WeakPolarHBondContact O-CB 3.31Å; L584-R588 PolarHBondContact O-N 2.96Å
585	S	93.4	Very high	93.8	Very high	8 Å²	8	73.7 Å²	73.7	6%	0.056	35%	0.351	C	S	.	.	H	α-helix	trans	-63.5	-22.1	179	-164.9	0	0	0	0	113.4	L513 Y581 R583 K589	L513-S585 WeakPolarHBondContact CD1-O 3.29Å; L513-S585 WeakPolarHBondContact CD1-OG 3.47Å; Y581-S585 WeakPolarHBondContact O-CB 3.48Å; Y581-S585 PolarHBondContact O-N 3.16Å; R583-S585 VanDerWaalsContact C-N 3.33Å; R583-S585 PolarHBondContact O-N 3.13Å; S585-K589 WeakPolarHBondContact O-CD 3.3Å; S585-K589 WeakPolarHBondContact O-CG 3.25Å; S585-K589 PolarHBondContact O-NZ 3.11Å; S585-K589 PolarHBondContact OG-NZ 2.87Å
586	I	94.5	Very high	93.7	Very high	98 Å²	98	74 Å²	74	50%	0.503	35%	0.348	S	S	.	.	H	α-helix	trans	-79.2	-55.8	171.2	-68	164.5	0	0	0	109.7	Q582 R583 L584 R588 K589 E590	Q582-I586 WeakPolarHBondContact O-CG1 3.3Å; Q582-I586 PolarHBondContact O-N 3.34Å; R583-I586 PolarHBondContact O-N 3.49Å; R583-I586 VanDerWaalsContact O-N 3.08Å; L584-I586 PolarHBondContact O-N 3.13Å; I586-R588 PolarHBondContact O-N 2.99Å; I586-R588 VanDerWaalsContact O-N 3.17Å; I586-K589 WeakPolarHBondContact O-CB 3.34Å; I586-K589 PolarHBondContact O-N 3.43Å; I586-E590 PolarHBondContact O-N 3.05Å
587	T	92.1	Very high	93.7	Very high	90 Å²	90	74.1 Å²	74.1	55%	0.552	35%	0.353	S	S	*	.	H	α-helix	trans	-52.8	-40.1	179.4	-51.7	0	0	0	0	112.4	R583 L584 E590 R591	R583-T587 PolarHBondContact O-N 3.03Å; R583-T587 VanDerWaalsContact O-N 3.08Å; R583-T587 PolarHBondContact O-OG1 2.86Å; L584-T587 PolarHBondContact O-N 3.29Å; T587-E590 WeakPolarHBondContact O-CB 3.26Å; T587-E590 PolarHBondContact O-N 3.36Å; T587-R591 PolarHBondContact O-N 2.72Å
588	R	93	Very high	93.6	Very high	41 Å²	41	75 Å²	75	16%	0.155	36%	0.355	C	S	.	.	H	α-helix	trans	-72.5	-34.8	178.5	178.3	147	-86.3	148.4	-15.1	113.5	E509 Q512 L513 E516 L584 I586 E590 R591 I592	E509-R588 VanDerWaalsContact CD-NE 3.29Å; E509-R588 WeakPolarHBondContact O-CD 3.13Å; E509-R588 IonicContact OE1-CZ 3.23Å; E509-R588 IonicContact OE1-NE 2.71Å; E509-R588 PolarHBondContact OE1-NE 3.07Å; E509-R588 IonicContact OE1-NH2 2.98Å; E509-R588 PolarHBondContact OE1-NH2 2.85Å; E509-R588 WeakPolarHBondContact OE2-CG 3.31Å; E509-R588 IonicContact OE2-CZ 3.51Å; E509-R588 IonicContact OE2-NE 3.22Å; E509-R588 PolarHBondContact OE2-NE 3Å; E509-R588 IonicContact OE2-NH2 2.73Å; Q512-R588 VanDerWaalsContact CD-CZ 3.43Å; Q512-R588 VanDerWaalsContact NE2-NH1 3.13Å; L513-R588 HydrophobicContact CB-CG 3.99Å; L513-R588 HydrophobicContact CD1-CB 4.31Å; L513-R588 HydrophobicContact CD1-CG 4.16Å; E516-R588 IonicContact OE1-CZ 3.87Å; E516-R588 IonicContact OE1-NE 3.6Å; E516-R588 IonicContact OE1-NH1 2.67Å; E516-R588 PolarHBondContact OE1-NH1 3.11Å; L584-R588 VanDerWaalsContact O-CB 3.26Å; L584-R588 WeakPolarHBondContact O-CB 3.31Å; L584-R588 PolarHBondContact O-N 2.96Å; I586-R588 PolarHBondContact O-N 2.99Å; I586-R588 VanDerWaalsContact O-N 3.17Å; R588-E590 VanDerWaalsContact C-N 3.31Å; R588-R591 PolarHBondContact O-N 2.89Å; R588-I592 HydrophobicContact CG-CD1 4.4Å; R588-I592 VanDerWaalsContact O-CG1 3.31Å; R588-I592 WeakPolarHBondContact O-CG1 3.38Å; R588-I592 PolarHBondContact O-N 3.25Å
589	K	93.9	Very high	93.4	Very high	95 Å²	95	75.3 Å²	75.3	41%	0.413	36%	0.358	S	S	.	.	H	α-helix	trans	-63.6	-39.3	168.7	-74.3	175.5	-163.3	91.5	0	111.2	L513 S585 I586 I592 M593	L513-K589 HydrophobicContact CD1-CG 4Å; L513-K589 HydrophobicContact CD2-CG 3.62Å; L513-K589 HydrophobicContact CG-CG 4.5Å; S585-K589 WeakPolarHBondContact O-CD 3.3Å; S585-K589 WeakPolarHBondContact O-CG 3.25Å; S585-K589 PolarHBondContact O-NZ 3.11Å; S585-K589 PolarHBondContact OG-NZ 2.87Å; I586-K589 WeakPolarHBondContact O-CB 3.34Å; I586-K589 PolarHBondContact O-N 3.43Å; K589-I592 PolarHBondContact O-N 2.94Å; K589-M593 WeakPolarHBondContact O-CG 3.08Å; K589-M593 PolarHBondContact O-N 3.34Å
590	E	94.9	Very high	93.3	Very high	105 Å²	105	77.2 Å²	77.2	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-64.3	-43.8	174.6	-67.3	178	177.9	0	0	111.6	I586 T587 R588 I592 M593 T594	I586-E590 PolarHBondContact O-N 3.05Å; T587-E590 WeakPolarHBondContact O-CB 3.26Å; T587-E590 PolarHBondContact O-N 3.36Å; R588-E590 VanDerWaalsContact C-N 3.31Å; E590-I592 PolarHBondContact O-N 3.35Å; E590-M593 HydrophobicContact CG-CE 4.14Å; E590-M593 PolarHBondContact O-N 3.41Å; E590-M593 VanDerWaalsContact O-N 3.11Å; E590-T594 PolarHBondContact O-N 3.5Å
591	R	92.9	Very high	93.3	Very high	98 Å²	98	78.1 Å²	78.1	37%	0.37	37%	0.374	S	S	.	.	H	α-helix	trans	-55.7	-50.7	173.4	-175.6	59.1	-179	166.5	-1	111.6	E505 E509 T587 R588 M593 T594 L595	E505-R591 VanDerWaalsContact CD-NH2 3.29Å; E505-R591 IonicContact OE1-CZ 2.68Å; E505-R591 IonicContact OE1-NE 2.85Å; E505-R591 PolarHBondContact OE1-NE 2.81Å; E505-R591 IonicContact OE1-NH2 3.75Å; E505-R591 PolarHBondContact OE1-NH2 3.37Å; E505-R591 IonicContact OE2-NH2 2.79Å; E505-R591 PolarHBondContact OE2-NH2 3.14Å; E505-R591 VanDerWaalsContact OE2-NH2 3.08Å; E509-R591 HydrophobicContact CG-CG 4.04Å; E509-R591 WeakPolarHBondContact OE2-CG 3.26Å; T587-R591 PolarHBondContact O-N 2.72Å; R588-R591 PolarHBondContact O-N 2.89Å; R591-M593 VanDerWaalsContact C-N 3.28Å; R591-M593 PolarHBondContact O-N 3.44Å; R591-T594 PolarHBondContact O-N 2.98Å; R591-T594 PolarHBondContact O-OG1 2.86Å; R591-L595 HydrophobicContact CG-CD1 4.15Å; R591-L595 WeakPolarHBondContact O-CG 3.1Å; R591-L595 PolarHBondContact O-N 3Å
592	I	93.8	Very high	93	Very high	15 Å²	15	76.5 Å²	76.5	8%	0.077	37%	0.37	C	S	.	.	H	α-helix	trans	-56.3	-40	176.2	-68.5	164.5	0	0	0	111.8	Q506 E509 M510 L513 R588 K589 E590 K596	Q506-I592 HydrophobicContact CG-CG2 4.08Å; E509-I592 HydrophobicContact CB-CD1 4.12Å; E509-I592 HydrophobicContact CB-CG1 3.64Å; M510-I592 HydrophobicContact CB-CD1 4.3Å; L513-I592 HydrophobicContact CB-CD1 4.39Å; L513-I592 HydrophobicContact CD2-CD1 3.82Å; R588-I592 HydrophobicContact CG-CD1 4.4Å; R588-I592 VanDerWaalsContact O-CG1 3.31Å; R588-I592 WeakPolarHBondContact O-CG1 3.38Å; R588-I592 PolarHBondContact O-N 3.25Å; K589-I592 PolarHBondContact O-N 2.94Å; E590-I592 PolarHBondContact O-N 3.35Å; I592-K596 HydrophobicContact CG2-CD 4.4Å; I592-K596 WeakPolarHBondContact O-CG 3.47Å; I592-K596 PolarHBondContact O-N 3.22Å; I592-K596 VanDerWaalsContact O-N 3.13Å
593	M	94.6	Very high	93	Very high	123 Å²	123	75 Å²	75	61%	0.606	37%	0.367	S	S	*	.	H	α-helix	trans	-68.3	-36.9	175.3	-70.8	-170.4	-63	0	0	112.9	K589 E590 R591 K597	K589-M593 WeakPolarHBondContact O-CG 3.08Å; K589-M593 PolarHBondContact O-N 3.34Å; E590-M593 HydrophobicContact CG-CE 4.14Å; E590-M593 PolarHBondContact O-N 3.41Å; E590-M593 VanDerWaalsContact O-N 3.11Å; R591-M593 VanDerWaalsContact C-N 3.28Å; R591-M593 PolarHBondContact O-N 3.44Å; M593-K597 PolarHBondContact O-N 3.07Å; M593-K597 VanDerWaalsContact O-N 3.11Å
594	T	93.5	Very high	93	Very high	64 Å²	64	74.6 Å²	74.6	39%	0.393	37%	0.374	S	S	.	.	H	α-helix	trans	-65.4	-43.9	175.3	59.6	0	0	0	0	112.2	E590 R591 K596 K597 Q598	E590-T594 PolarHBondContact O-N 3.5Å; R591-T594 PolarHBondContact O-N 2.98Å; R591-T594 PolarHBondContact O-OG1 2.86Å; T594-K596 PolarHBondContact O-N 3.38Å; T594-K597 WeakPolarHBondContact O-CB 3.3Å; T594-K597 PolarHBondContact O-N 2.74Å; T594-K597 VanDerWaalsContact O-N 3.16Å; T594-Q598 WeakPolarHBondContact O-CG 3.32Å; T594-Q598 PolarHBondContact O-N 2.88Å
595	L	90.7	Very high	92.8	Very high	1 Å²	1	76 Å²	76	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-61.4	-45.4	177.5	-66	169.9	0	0	0	111.7	L502 E505 Q506 E509 R591 K597 Q598 S599	L502-L595 HydrophobicContact CD2-CD2 3.74Å; E505-L595 HydrophobicContact CB-CD1 4.02Å; E505-L595 HydrophobicContact CB-CD2 4.39Å; E505-L595 HydrophobicContact CG-CD1 3.91Å; E505-L595 HydrophobicContact CG-CD2 4.44Å; Q506-L595 HydrophobicContact CB-CB 4.26Å; Q506-L595 HydrophobicContact CB-CD1 4.14Å; E509-L595 HydrophobicContact CG-CD1 4.2Å; R591-L595 HydrophobicContact CG-CD1 4.15Å; R591-L595 WeakPolarHBondContact O-CG 3.1Å; R591-L595 PolarHBondContact O-N 3Å; L595-K597 VanDerWaalsContact C-N 3.29Å; L595-K597 PolarHBondContact O-N 3.22Å; L595-Q598 PolarHBondContact O-N 3.28Å; L595-Q598 VanDerWaalsContact O-N 3.13Å; L595-S599 PolarHBondContact O-N 2.88Å
596	K	93	Very high	92.6	Very high	98 Å²	98	76.1 Å²	76.1	43%	0.426	38%	0.38	S	S	.	.	H	α-helix	trans	-56	-42.2	173.2	-78.5	-179.8	177.2	-173.7	0	112.9	Q506 I592 T594 S600	Q506-K596 HydrophobicContact CG-CG 4.49Å; I592-K596 HydrophobicContact CG2-CD 4.4Å; I592-K596 WeakPolarHBondContact O-CG 3.47Å; I592-K596 PolarHBondContact O-N 3.22Å; I592-K596 VanDerWaalsContact O-N 3.13Å; T594-K596 PolarHBondContact O-N 3.38Å; K596-S600 WeakPolarHBondContact O-CB 3.26Å; K596-S600 PolarHBondContact O-N 2.82Å; K596-S600 PolarHBondContact O-OG 3.48Å
597	K	94.6	Very high	92.5	Very high	149 Å²	149	75.6 Å²	75.6	65%	0.648	38%	0.375	S	S	*	.	H	α-helix	trans	-66.6	-39.5	177.6	-173.4	-176.5	175.2	-172.4	0	111.7	M593 T594 L595 Q601	M593-K597 PolarHBondContact O-N 3.07Å; M593-K597 VanDerWaalsContact O-N 3.11Å; T594-K597 WeakPolarHBondContact O-CB 3.3Å; T594-K597 PolarHBondContact O-N 2.74Å; T594-K597 VanDerWaalsContact O-N 3.16Å; L595-K597 VanDerWaalsContact C-N 3.29Å; L595-K597 PolarHBondContact O-N 3.22Å; K597-Q601 WeakPolarHBondContact O-CB 3.23Å; K597-Q601 PolarHBondContact O-N 2.83Å
598	Q	92.8	Very high	92.5	Very high	83 Å²	83	77.1 Å²	77.1	39%	0.388	38%	0.376	S	S	.	.	H	α-helix	trans	-66	-50.4	177.3	-69.8	175.5	-88.8	0	0	111.6	L502 T594 L595 S600 Q601 I602	L502-Q598 HydrophobicContact CD1-CB 3.9Å; T594-Q598 WeakPolarHBondContact O-CG 3.32Å; T594-Q598 PolarHBondContact O-N 2.88Å; L595-Q598 PolarHBondContact O-N 3.28Å; L595-Q598 VanDerWaalsContact O-N 3.13Å; Q598-S600 VanDerWaalsContact C-N 3.3Å; Q598-S600 PolarHBondContact O-N 3.2Å; Q598-Q601 WeakPolarHBondContact O-CB 3.23Å; Q598-Q601 PolarHBondContact O-N 2.81Å; Q598-I602 WeakPolarHBondContact O-CG1 3.24Å; Q598-I602 PolarHBondContact O-N 2.79Å
599	S	89.4	Confident	92.3	Very high	19 Å²	19	78.2 Å²	78.2	13%	0.133	38%	0.383	C	S	.	.	H	α-helix	trans	-55.5	-44	175.6	168.3	0	0	0	0	111.9	L595 Q601 I602 T603	L595-S599 PolarHBondContact O-N 2.88Å; S599-Q601 VanDerWaalsContact C-N 3.34Å; S599-Q601 PolarHBondContact O-N 3.02Å; S599-I602 PolarHBondContact O-N 3.5Å; S599-T603 WeakPolarHBondContact O-CB 3.21Å; S599-T603 PolarHBondContact O-N 3.41Å; S599-T603 PolarHBondContact O-OG1 2.84Å
600	S	93	Very high	92.2	Very high	77 Å²	77	77.7 Å²	77.7	54%	0.538	38%	0.381	S	S	.	.	H	α-helix	trans	-62.6	-36.5	174.5	-56.5	0	0	0	0	113.5	K596 Q598 L604	K596-S600 WeakPolarHBondContact O-CB 3.26Å; K596-S600 PolarHBondContact O-N 2.82Å; K596-S600 PolarHBondContact O-OG 3.48Å; Q598-S600 VanDerWaalsContact C-N 3.3Å; Q598-S600 PolarHBondContact O-N 3.2Å; S600-L604 WeakPolarHBondContact O-CB 3.36Å; S600-L604 PolarHBondContact O-N 3Å
601	Q	95.1	Very high	92.2	Very high	116 Å²	116	77.5 Å²	77.5	54%	0.542	38%	0.38	S	S	.	.	H	α-helix	trans	-73.8	-43.3	-179.5	-179.3	177.8	-31.6	0	0	111.9	K597 Q598 S599 L604 Q605	K597-Q601 WeakPolarHBondContact O-CB 3.23Å; K597-Q601 PolarHBondContact O-N 2.83Å; Q598-Q601 WeakPolarHBondContact O-CB 3.23Å; Q598-Q601 PolarHBondContact O-N 2.81Å; S599-Q601 VanDerWaalsContact C-N 3.34Å; S599-Q601 PolarHBondContact O-N 3.02Å; Q601-L604 PolarHBondContact O-N 3.22Å; Q601-Q605 PolarHBondContact O-N 2.73Å
602	I	87.4	Confident	92.2	Very high	33 Å²	33	75.9 Å²	75.9	17%	0.169	38%	0.378	C	S	.	.	H	α-helix	trans	-61.7	-47.6	176.9	-71	155	0	0	0	110.2	M495 E498 L502 Q598 S599 L604 Q605 A606	M495-I602 HydrophobicContact CB-CG2 4.41Å; M495-I602 HydrophobicContact CG-CG2 3.86Å; E498-I602 HydrophobicContact CB-CD1 4.34Å; E498-I602 HydrophobicContact CB-CG2 4.25Å; E498-I602 WeakPolarHBondContact OE2-CD1 3.37Å; L502-I602 HydrophobicContact CD1-CD1 3.46Å; L502-I602 VanDerWaalsContact CD1-CD1 3.46Å; Q598-I602 WeakPolarHBondContact O-CG1 3.24Å; Q598-I602 PolarHBondContact O-N 2.79Å; S599-I602 PolarHBondContact O-N 3.5Å; I602-L604 VanDerWaalsContact C-N 3.29Å; I602-L604 PolarHBondContact O-N 2.93Å; I602-Q605 PolarHBondContact O-N 2.95Å; I602-Q605 VanDerWaalsContact O-N 3.17Å; I602-A606 PolarHBondContact O-N 3.4Å
603	T	91	Very high	92.3	Very high	63 Å²	63	77.2 Å²	77.2	39%	0.387	38%	0.384	S	S	.	.	H	α-helix	trans	-56.7	-41.6	175.5	-55	0	0	0	0	112.2	M495 S599 Q607	M495-T603 HydrophobicContact SD-CG2 4.44Å; S599-T603 WeakPolarHBondContact O-CB 3.21Å; S599-T603 PolarHBondContact O-N 3.41Å; S599-T603 PolarHBondContact O-OG1 2.84Å; T603-Q607 WeakPolarHBondContact O-CB 3.34Å; T603-Q607 PolarHBondContact O-N 3Å; T603-Q607 VanDerWaalsContact O-N 3.17Å
604	L	95	Very high	92.3	Very high	122 Å²	122	75 Å²	75	64%	0.639	37%	0.372	S	S	*	.	H	α-helix	trans	-69.4	-39.4	178	-178.8	62.3	0	0	0	112.6	S600 Q601 I602 Q608	S600-L604 WeakPolarHBondContact O-CB 3.36Å; S600-L604 PolarHBondContact O-N 3Å; Q601-L604 PolarHBondContact O-N 3.22Å; I602-L604 VanDerWaalsContact C-N 3.29Å; I602-L604 PolarHBondContact O-N 2.93Å; L604-Q608 PolarHBondContact O-N 3.05Å; L604-Q608 VanDerWaalsContact O-N 3.13Å
605	Q	90	Very high	92.4	Very high	99 Å²	99	78.1 Å²	78.1	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-64.9	-50.3	177.6	179.1	177.6	-29.5	0	0	111.2	Q601 I602 Q607 Q608 E609	Q601-Q605 PolarHBondContact O-N 2.73Å; I602-Q605 PolarHBondContact O-N 2.95Å; I602-Q605 VanDerWaalsContact O-N 3.17Å; Q605-Q607 VanDerWaalsContact C-N 3.29Å; Q605-Q607 PolarHBondContact O-N 3.01Å; Q605-Q608 WeakPolarHBondContact O-CA 3.45Å; Q605-Q608 WeakPolarHBondContact O-CB 3.46Å; Q605-Q608 PolarHBondContact O-N 2.82Å; Q605-E609 HydrophobicContact CG-CG 4.48Å; Q605-E609 VanDerWaalsContact CG-OE1 3.27Å; Q605-E609 WeakPolarHBondContact CG-OE1 2.89Å; Q605-E609 PolarHBondContact NE2-OE1 3.28Å; Q605-E609 PolarHBondContact O-N 2.94Å
606	A	88.7	Confident	92.7	Very high	10 Å²	10	83.1 Å²	83.1	8%	0.083	40%	0.4	C	S	.	.	H	α-helix	trans	-61.5	-36.6	179.3	0	0	0	0	0	112.4	M495 I602 E609 K610	M495-A606 HydrophobicContact CB-CB 3.66Å; M495-A606 HydrophobicContact CG-CB 3.51Å; M495-A606 HydrophobicContact SD-CB 3.55Å; M495-A606 VanDerWaalsContact SD-CB 3.55Å; I602-A606 PolarHBondContact O-N 3.4Å; A606-E609 PolarHBondContact O-N 2.85Å; A606-K610 VanDerWaalsContact O-CB 3.23Å; A606-K610 WeakPolarHBondContact O-CB 3.41Å; A606-K610 PolarHBondContact O-N 3.44Å
607	Q	92.8	Very high	92.7	Very high	86 Å²	86	80.4 Å²	80.4	40%	0.402	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-40.3	171.8	176.9	57.8	32.6	0	0	112.1	T603 Q605 E611	T603-Q607 WeakPolarHBondContact O-CB 3.34Å; T603-Q607 PolarHBondContact O-N 3Å; T603-Q607 VanDerWaalsContact O-N 3.17Å; Q605-Q607 VanDerWaalsContact C-N 3.29Å; Q605-Q607 PolarHBondContact O-N 3.01Å; Q607-E611 PolarHBondContact NE2-OE1 3.36Å; Q607-E611 WeakPolarHBondContact O-CG 3.49Å; Q607-E611 PolarHBondContact O-N 3.33Å; Q607-E611 VanDerWaalsContact O-N 3.08Å
608	Q	92.8	Very high	92.9	Very high	122 Å²	122	77.1 Å²	77.1	57%	0.57	38%	0.378	S	S	*	.	H	α-helix	trans	-67.8	-38.5	175.6	-173.4	179.3	-0.3	0	0	112.3	L604 Q605 E611 N612	L604-Q608 PolarHBondContact O-N 3.05Å; L604-Q608 VanDerWaalsContact O-N 3.13Å; Q605-Q608 WeakPolarHBondContact O-CA 3.45Å; Q605-Q608 WeakPolarHBondContact O-CB 3.46Å; Q605-Q608 PolarHBondContact O-N 2.82Å; Q608-E611 PolarHBondContact O-N 3.07Å; Q608-N612 PolarHBondContact O-N 3.45Å; Q608-N612 VanDerWaalsContact O-N 3.1Å; Q608-N612 PolarHBondContact O-ND2 3.11Å; Q608-N612 VanDerWaalsContact O-ND2 3.16Å
609	E	88.7	Confident	93.1	Very high	65 Å²	65	76.1 Å²	76.1	30%	0.304	38%	0.375	S	S	.	.	H	α-helix	trans	-66.4	-45.7	176.5	-72.5	172.5	-171	0	0	111.3	Q605 A606 E611 N612 F613	Q605-E609 HydrophobicContact CG-CG 4.48Å; Q605-E609 VanDerWaalsContact CG-OE1 3.27Å; Q605-E609 WeakPolarHBondContact CG-OE1 2.89Å; Q605-E609 PolarHBondContact NE2-OE1 3.28Å; Q605-E609 PolarHBondContact O-N 2.94Å; A606-E609 PolarHBondContact O-N 2.85Å; E609-E611 VanDerWaalsContact C-N 3.31Å; E609-E611 PolarHBondContact O-N 3.44Å; E609-N612 CarbonylContact O-C 3.58Å; E609-N612 WeakPolarHBondContact O-CA 3.2Å; E609-N612 WeakPolarHBondContact O-CB 3.05Å; E609-N612 PolarHBondContact O-N 3.46Å; E609-F613 HydrophobicContact CB-CE2 4.1Å; E609-F613 WeakPolarHBondContact O-CD2 3.31Å; E609-F613 PolarHBondContact O-N 3.21Å
610	K	90.9	Very high	93.5	Very high	84 Å²	84	76 Å²	76	37%	0.365	37%	0.372	S	S	.	.	H	α-helix	trans	-54.1	-43.2	171.1	-176.7	175.6	-175	170.6	0	112.9	M488 A606 N612 F613 Q614	M488-K610 HydrophobicContact CG-CG 4.21Å; M488-K610 HydrophobicContact SD-CG 4.06Å; A606-K610 VanDerWaalsContact O-CB 3.23Å; A606-K610 WeakPolarHBondContact O-CB 3.41Å; A606-K610 PolarHBondContact O-N 3.44Å; K610-N612 VanDerWaalsContact C-N 3.29Å; K610-N612 PolarHBondContact O-N 2.98Å; K610-F613 PolarHBondContact O-N 3.36Å; K610-Q614 VanDerWaalsContact O-CB 3.28Å; K610-Q614 WeakPolarHBondContact O-CB 3.19Å; K610-Q614 PolarHBondContact O-N 2.87Å
611	E	94.6	Very high	93.7	Very high	100 Å²	100	75.9 Å²	75.9	47%	0.467	37%	0.366	S	S	.	.	H	α-helix	trans	-66.8	-27.9	174.2	-76.7	177.5	-150.1	0	0	113.4	Q607 Q608 E609 R615	Q607-E611 PolarHBondContact NE2-OE1 3.36Å; Q607-E611 WeakPolarHBondContact O-CG 3.49Å; Q607-E611 PolarHBondContact O-N 3.33Å; Q607-E611 VanDerWaalsContact O-N 3.08Å; Q608-E611 PolarHBondContact O-N 3.07Å; E609-E611 VanDerWaalsContact C-N 3.31Å; E609-E611 PolarHBondContact O-N 3.44Å; E611-R615 WeakPolarHBondContact O-CB 3.44Å; E611-R615 PolarHBondContact O-N 2.81Å; E611-R615 PolarHBondContact O-NH2 3.03Å
612	N	93.8	Very high	93.8	Very high	64 Å²	64	74.1 Å²	74.1	34%	0.342	36%	0.363	S	S	.	.	H	α-helix	trans	-74.6	-50	173.2	-63.7	-32.4	0	0	0	111.3	Q608 E609 K610 Q614 R615 E616	Q608-N612 PolarHBondContact O-N 3.45Å; Q608-N612 VanDerWaalsContact O-N 3.1Å; Q608-N612 PolarHBondContact O-ND2 3.11Å; Q608-N612 VanDerWaalsContact O-ND2 3.16Å; E609-N612 CarbonylContact O-C 3.58Å; E609-N612 WeakPolarHBondContact O-CA 3.2Å; E609-N612 WeakPolarHBondContact O-CB 3.05Å; E609-N612 PolarHBondContact O-N 3.46Å; K610-N612 VanDerWaalsContact C-N 3.29Å; K610-N612 PolarHBondContact O-N 2.98Å; N612-Q614 VanDerWaalsContact C-N 3.34Å; N612-Q614 PolarHBondContact O-N 3.15Å; N612-R615 WeakPolarHBondContact O-CB 3.47Å; N612-R615 PolarHBondContact O-N 3.26Å; N612-R615 PolarHBondContact OD1-NH1 3.26Å; N612-R615 PolarHBondContact OD1-NH2 3.02Å; N612-E616 PolarHBondContact O-N 2.88Å
613	F	95.1	Very high	94.3	Very high	44 Å²	44	76.9 Å²	76.9	19%	0.193	38%	0.376	C	S	.	.	H	α-helix	trans	-57.2	-45.3	176.2	-64.8	-53.9	0	0	0	111.6	L484 Q487 M488 E609 K610 R615 E616 K617	L484-F613 HydrophobicContact CD2-CD1 4.15Å; Q487-F613 HydrophobicContact CB-CE1 4.29Å; Q487-F613 HydrophobicContact CB-CZ 4.4Å; M488-F613 HydrophobicContact CB-CB 4.15Å; M488-F613 HydrophobicContact CB-CD2 4.12Å; M488-F613 HydrophobicContact CB-CG 4.34Å; M488-F613 HydrophobicContact CG-CB 4.42Å; M488-F613 HydrophobicContact CG-CD2 4.45Å; M488-F613 HydrophobicContact SD-CB 4.42Å; E609-F613 HydrophobicContact CB-CE2 4.1Å; E609-F613 WeakPolarHBondContact O-CD2 3.31Å; E609-F613 PolarHBondContact O-N 3.21Å; K610-F613 PolarHBondContact O-N 3.36Å; F613-R615 VanDerWaalsContact C-N 3.29Å; F613-R615 PolarHBondContact O-N 2.74Å; F613-E616 PolarHBondContact O-N 2.99Å; F613-K617 WeakPolarHBondContact O-CB 3.46Å; F613-K617 PolarHBondContact O-N 3.41Å
614	Q	95.3	Very high	94.6	Very high	76 Å²	76	74.1 Å²	74.1	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-36.2	176.1	-175.2	62.4	78.3	0	0	112.4	K610 N612 N618	K610-Q614 VanDerWaalsContact O-CB 3.28Å; K610-Q614 WeakPolarHBondContact O-CB 3.19Å; K610-Q614 PolarHBondContact O-N 2.87Å; N612-Q614 VanDerWaalsContact C-N 3.34Å; N612-Q614 PolarHBondContact O-N 3.15Å; Q614-N618 PolarHBondContact NE2-OD1 3.48Å; Q614-N618 WeakPolarHBondContact O-CB 3.44Å; Q614-N618 PolarHBondContact O-N 3.11Å; Q614-N618 PolarHBondContact O-ND2 2.7Å; Q614-N618 PolarHBondContact O-OD1 3.42Å
615	R	96.6	Very high	94.7	Very high	129 Å²	129	72.5 Å²	72.5	49%	0.487	35%	0.348	S	S	.	.	H	α-helix	trans	-70.9	-36.3	176.4	-164.1	-174.5	-47.7	109.8	9.3	112	E611 N612 F613 N619	E611-R615 WeakPolarHBondContact O-CB 3.44Å; E611-R615 PolarHBondContact O-N 2.81Å; E611-R615 PolarHBondContact O-NH2 3.03Å; N612-R615 WeakPolarHBondContact O-CB 3.47Å; N612-R615 PolarHBondContact O-N 3.26Å; N612-R615 PolarHBondContact OD1-NH1 3.26Å; N612-R615 PolarHBondContact OD1-NH2 3.02Å; F613-R615 VanDerWaalsContact C-N 3.29Å; F613-R615 PolarHBondContact O-N 2.74Å; R615-N619 PolarHBondContact O-N 2.74Å; R615-N619 PolarHBondContact O-ND2 2.74Å
616	E	96	Very high	95.1	Very high	106 Å²	106	74.2 Å²	74.2	50%	0.495	35%	0.354	S	S	.	.	H	α-helix	trans	-71.9	-47.6	176.2	-166.4	169.7	166.9	0	0	111.4	L484 N612 F613 N618 N619 L620	L484-E616 HydrophobicContact CD1-CB 3.97Å; L484-E616 HydrophobicContact CD1-CG 3.8Å; N612-E616 PolarHBondContact O-N 2.88Å; F613-E616 PolarHBondContact O-N 2.99Å; E616-N618 VanDerWaalsContact C-N 3.25Å; E616-N618 PolarHBondContact O-N 2.88Å; E616-N619 CarbonylContact O-C 3.55Å; E616-N619 WeakPolarHBondContact O-CA 3.37Å; E616-N619 WeakPolarHBondContact O-CB 3.44Å; E616-N619 PolarHBondContact O-N 2.79Å; E616-L620 PolarHBondContact O-N 2.81Å
617	K	94.2	Very high	95.4	Very high	41 Å²	41	75 Å²	75	18%	0.178	36%	0.356	C	S	.	.	H	α-helix	trans	-51	-43.7	170.5	173.4	168.6	172.4	172.4	0	112.2	I481 L484 D485 F613 N619 L620 L621	I481-K617 HydrophobicContact CG2-CD 4.41Å; I481-K617 HydrophobicContact CG2-CG 4.28Å; L484-K617 HydrophobicContact CD1-CB 4.42Å; D485-K617 VanDerWaalsContact OD1-CD 3.31Å; D485-K617 WeakPolarHBondContact OD1-CD 3.4Å; D485-K617 WeakPolarHBondContact OD1-CE 3.29Å; D485-K617 IonicContact OD1-NZ 2.66Å; D485-K617 PolarHBondContact OD1-NZ 3.45Å; D485-K617 IonicContact OD2-NZ 3.69Å; D485-K617 PolarHBondContact OD2-NZ 3.03Å; F613-K617 WeakPolarHBondContact O-CB 3.46Å; F613-K617 PolarHBondContact O-N 3.41Å; K617-N619 VanDerWaalsContact C-N 3.33Å; K617-N619 PolarHBondContact O-N 3.44Å; K617-L620 PolarHBondContact O-N 3.03Å; K617-L621 HydrophobicContact CG-CD1 4.02Å; K617-L621 WeakPolarHBondContact O-CB 3.3Å; K617-L621 WeakPolarHBondContact O-CG 3.37Å; K617-L621 PolarHBondContact O-N 3.23Å
618	N	97.2	Very high	95.6	Very high	81 Å²	81	75.2 Å²	75.2	43%	0.433	35%	0.353	S	S	.	.	H	α-helix	trans	-65	-32.8	176.1	-71.1	-4.9	0	0	0	112.9	Q614 E616 V622	Q614-N618 PolarHBondContact NE2-OD1 3.48Å; Q614-N618 WeakPolarHBondContact O-CB 3.44Å; Q614-N618 PolarHBondContact O-N 3.11Å; Q614-N618 PolarHBondContact O-ND2 2.7Å; Q614-N618 PolarHBondContact O-OD1 3.42Å; E616-N618 VanDerWaalsContact C-N 3.25Å; E616-N618 PolarHBondContact O-N 2.88Å; N618-V622 WeakPolarHBondContact O-CG2 3.43Å; N618-V622 PolarHBondContact O-N 2.89Å
619	N	98.1	Very high	95.8	Very high	61 Å²	61	73.4 Å²	73.4	33%	0.326	35%	0.347	S	S	.	.	H	α-helix	trans	-72.8	-41.6	172.5	-76.9	-66.9	0	0	0	112	R269 R615 E616 K617 L621 V622 M623	R269-N619 PolarHBondContact NH2-OD1 3.04Å; R615-N619 PolarHBondContact O-N 2.74Å; R615-N619 PolarHBondContact O-ND2 2.74Å; E616-N619 CarbonylContact O-C 3.55Å; E616-N619 WeakPolarHBondContact O-CA 3.37Å; E616-N619 WeakPolarHBondContact O-CB 3.44Å; E616-N619 PolarHBondContact O-N 2.79Å; K617-N619 VanDerWaalsContact C-N 3.33Å; K617-N619 PolarHBondContact O-N 3.44Å; N619-L621 VanDerWaalsContact C-N 3.34Å; N619-L621 PolarHBondContact O-N 3.42Å; N619-V622 PolarHBondContact O-N 3Å; N619-M623 PolarHBondContact O-N 2.89Å; N619-M623 VanDerWaalsContact O-N 3.07Å
620	L	97.3	Very high	96.1	Very high	16 Å²	16	73.7 Å²	73.7	8%	0.084	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-42.5	174.8	-63.1	-166.8	0	0	0	111.6	L477 K480 I481 L484 E616 K617 V622 M623 L624	L477-L620 HydrophobicContact CD2-CD2 4.23Å; K480-L620 HydrophobicContact CB-CD1 3.67Å; I481-L620 HydrophobicContact CD1-CB 3.93Å; I481-L620 HydrophobicContact CG1-CB 3.49Å; I481-L620 VanDerWaalsContact CG1-CB 3.49Å; I481-L620 HydrophobicContact CG1-CD1 3.81Å; I481-L620 HydrophobicContact CG1-CG 4.31Å; L484-L620 HydrophobicContact CD1-CD1 3.56Å; L484-L620 HydrophobicContact CD1-CG 4.21Å; L484-L620 HydrophobicContact CG-CD1 4.43Å; E616-L620 PolarHBondContact O-N 2.81Å; K617-L620 PolarHBondContact O-N 3.03Å; L620-V622 VanDerWaalsContact C-N 3.3Å; L620-V622 PolarHBondContact O-N 3.32Å; L620-M623 HydrophobicContact CD2-CE 3.5Å; L620-M623 VanDerWaalsContact CD2-CE 3.5Å; L620-M623 PolarHBondContact O-N 3.18Å; L620-M623 VanDerWaalsContact O-N 3.13Å; L620-L624 WeakPolarHBondContact O-CB 3.36Å; L620-L624 PolarHBondContact O-N 2.74Å
621	L	96.9	Very high	96.3	Very high	75 Å²	75	70.6 Å²	70.6	39%	0.393	34%	0.335	S	S	.	.	H	α-helix	trans	-59.3	-38	175.8	-77.8	166	0	0	0	112.6	I481 K617 N619 Q625	I481-L621 HydrophobicContact CD1-CD2 3.87Å; I481-L621 HydrophobicContact CD1-CG 4Å; K617-L621 HydrophobicContact CG-CD1 4.02Å; K617-L621 WeakPolarHBondContact O-CB 3.3Å; K617-L621 WeakPolarHBondContact O-CG 3.37Å; K617-L621 PolarHBondContact O-N 3.23Å; N619-L621 VanDerWaalsContact C-N 3.34Å; N619-L621 PolarHBondContact O-N 3.42Å; L621-Q625 PolarHBondContact O-N 3.16Å
622	V	97.8	Very high	96.2	Very high	79 Å²	79	71.1 Å²	71.1	48%	0.479	34%	0.34	S	S	.	.	H	α-helix	trans	-69.2	-37.3	175.1	170.6	0	0	0	0	111.8	N618 N619 L620 K626	N618-V622 WeakPolarHBondContact O-CG2 3.43Å; N618-V622 PolarHBondContact O-N 2.89Å; N619-V622 PolarHBondContact O-N 3Å; L620-V622 VanDerWaalsContact C-N 3.3Å; L620-V622 PolarHBondContact O-N 3.32Å; V622-K626 PolarHBondContact O-N 2.97Å
623	M	97.9	Very high	96.2	Very high	91 Å²	91	71.3 Å²	71.3	45%	0.448	35%	0.347	S	S	.	.	H	α-helix	trans	-70.3	-40.3	174.5	-66.2	-169.6	-63.7	0	0	112	L477 N619 L620 Q625 K626 E627	L477-M623 HydrophobicContact CD1-CB 4.15Å; L477-M623 HydrophobicContact CD2-CB 4.28Å; L477-M623 HydrophobicContact CD2-CE 4.22Å; N619-M623 PolarHBondContact O-N 2.89Å; N619-M623 VanDerWaalsContact O-N 3.07Å; L620-M623 HydrophobicContact CD2-CE 3.5Å; L620-M623 VanDerWaalsContact CD2-CE 3.5Å; L620-M623 PolarHBondContact O-N 3.18Å; L620-M623 VanDerWaalsContact O-N 3.13Å; M623-Q625 VanDerWaalsContact C-N 3.32Å; M623-Q625 PolarHBondContact O-N 3.32Å; M623-K626 WeakPolarHBondContact O-CB 3.44Å; M623-K626 PolarHBondContact O-N 2.87Å; M623-K626 VanDerWaalsContact O-N 3.16Å; M623-E627 PolarHBondContact O-N 3.2Å
624	L	97.6	Very high	96	Very high	6 Å²	6	69.5 Å²	69.5	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-60.7	-41.4	174.6	175.5	59.1	0	0	0	111.4	I474 L477 E478 I481 L620 R628	I474-L624 HydrophobicContact CB-CD1 4.25Å; I474-L624 HydrophobicContact CG1-CD1 4.25Å; I474-L624 HydrophobicContact CG2-CD1 3.88Å; L477-L624 HydrophobicContact CB-CB 4.22Å; L477-L624 HydrophobicContact CB-CD1 4.2Å; L477-L624 HydrophobicContact CD1-CB 4.46Å; E478-L624 HydrophobicContact CG-CD1 3.86Å; E478-L624 HydrophobicContact CG-CD2 3.77Å; I481-L624 HydrophobicContact CD1-CB 4.35Å; I481-L624 HydrophobicContact CD1-CD2 3.66Å; L620-L624 WeakPolarHBondContact O-CB 3.36Å; L620-L624 PolarHBondContact O-N 2.74Å; L624-R628 VanDerWaalsContact O-CG 3.26Å; L624-R628 WeakPolarHBondContact O-CG 3.26Å; L624-R628 PolarHBondContact O-N 3.17Å
625	Q	96.7	Very high	95.6	Very high	87 Å²	87	68.3 Å²	68.3	41%	0.407	33%	0.333	S	S	.	.	H	α-helix	trans	-64.4	-44.1	173.4	-171	57.7	42.4	0	0	111.4	L621 M623 E627 R628 D629	L621-Q625 PolarHBondContact O-N 3.16Å; M623-Q625 VanDerWaalsContact C-N 3.32Å; M623-Q625 PolarHBondContact O-N 3.32Å; Q625-E627 VanDerWaalsContact C-N 3.35Å; Q625-E627 PolarHBondContact O-N 3.36Å; Q625-R628 CarbonylContact O-C 3.3Å; Q625-R628 WeakPolarHBondContact O-CB 3.46Å; Q625-R628 PolarHBondContact O-N 3.31Å; Q625-R628 VanDerWaalsContact O-N 3.13Å; Q625-D629 PolarHBondContact NE2-OD1 2.95Å; Q625-D629 PolarHBondContact O-N 3.01Å
626	K	97.6	Very high	95.2	Very high	136 Å²	136	64.1 Å²	64.1	59%	0.591	33%	0.33	S	S	*	.	H	α-helix	trans	-59.1	-41.9	177.5	-171	-157.3	170.3	-144	0	112.7	V622 M623 D629 K630	V622-K626 PolarHBondContact O-N 2.97Å; M623-K626 WeakPolarHBondContact O-CB 3.44Å; M623-K626 PolarHBondContact O-N 2.87Å; M623-K626 VanDerWaalsContact O-N 3.16Å; K626-D629 PolarHBondContact O-N 3.13Å; K626-K630 PolarHBondContact O-N 2.89Å
627	E	96.8	Very high	94.9	Very high	26 Å²	26	63.7 Å²	63.7	12%	0.121	33%	0.327	C	S	.	.	H	α-helix	trans	-71.1	-33.2	176.9	-64.8	-59.9	108.5	0	0	111.7	V470 N473 I474 L477 M623 Q625 K630 L631	V470-E627 HydrophobicContact CG1-CB 4.32Å; V470-E627 WeakPolarHBondContact CG1-O 3.37Å; N473-E627 HydrophobicContact CB-CG 4.22Å; N473-E627 PolarHBondContact ND2-OE2 2.95Å; I474-E627 HydrophobicContact CD1-CB 4.42Å; I474-E627 HydrophobicContact CG1-CB 3.82Å; L477-E627 HydrophobicContact CD1-CG 4.09Å; M623-E627 PolarHBondContact O-N 3.2Å; Q625-E627 VanDerWaalsContact C-N 3.35Å; Q625-E627 PolarHBondContact O-N 3.36Å; E627-K630 PolarHBondContact O-N 3.34Å; E627-L631 WeakPolarHBondContact O-CB 3.44Å; E627-L631 PolarHBondContact O-N 3.17Å
628	R	95.6	Very high	94.3	Very high	91 Å²	91	65 Å²	65	34%	0.343	33%	0.331	S	S	.	.	H	α-helix	trans	-64.9	-38.8	169.5	-71.7	167.3	175.5	178.5	-1.4	112.4	I474 E478 L624 Q625 L631 L632	I474-R628 HydrophobicContact CD1-CG 3.91Å; I474-R628 HydrophobicContact CG1-CG 4.26Å; E478-R628 IonicContact OE1-CZ 3.48Å; E478-R628 IonicContact OE1-NE 3.23Å; E478-R628 IonicContact OE1-NH2 2.74Å; E478-R628 PolarHBondContact OE1-NH2 3.08Å; L624-R628 VanDerWaalsContact O-CG 3.26Å; L624-R628 WeakPolarHBondContact O-CG 3.26Å; L624-R628 PolarHBondContact O-N 3.17Å; Q625-R628 CarbonylContact O-C 3.3Å; Q625-R628 WeakPolarHBondContact O-CB 3.46Å; Q625-R628 PolarHBondContact O-N 3.31Å; Q625-R628 VanDerWaalsContact O-N 3.13Å; R628-L631 WeakPolarHBondContact O-CB 3.29Å; R628-L631 PolarHBondContact O-N 3.41Å; R628-L632 WeakPolarHBondContact O-CG 3.29Å; R628-L632 PolarHBondContact O-N 3.44Å
629	D	96.8	Very high	93.7	Very high	83 Å²	83	64.4 Å²	64.4	44%	0.444	33%	0.33	S	S	.	.	H	α-helix	trans	-67.4	-38.2	174.4	-59.4	-24.6	0	0	0	110.9	Q625 K626 L632 S633	Q625-D629 PolarHBondContact NE2-OD1 2.95Å; Q625-D629 PolarHBondContact O-N 3.01Å; K626-D629 PolarHBondContact O-N 3.13Å; D629-L632 PolarHBondContact O-N 2.93Å; D629-S633 PolarHBondContact O-N 3.38Å; D629-S633 VanDerWaalsContact O-N 3.07Å
630	K	96	Very high	93	Very high	72 Å²	72	68.8 Å²	68.8	31%	0.313	35%	0.348	S	S	.	.	H	α-helix	trans	-61.9	-44.1	171.3	-173.3	-177.3	173.9	-157.2	0	111.1	E466 V470 K626 E627 L632 S633 L634	E466-K630 IonicContact OE1-NZ 2.93Å; E466-K630 PolarHBondContact OE1-NZ 2.92Å; V470-K630 HydrophobicContact CG2-CD 3.57Å; V470-K630 HydrophobicContact CG2-CG 4.12Å; K626-K630 PolarHBondContact O-N 2.89Å; E627-K630 PolarHBondContact O-N 3.34Å; K630-L632 PolarHBondContact O-N 3.44Å; K630-S633 WeakPolarHBondContact O-CB 3.42Å; K630-S633 PolarHBondContact O-N 3.44Å; K630-S633 VanDerWaalsContact O-N 3.16Å; K630-L634 HydrophobicContact CG-CD1 4.35Å; K630-L634 HydrophobicContact CG-CG 4.49Å; K630-L634 WeakPolarHBondContact O-CG 3.44Å; K630-L634 PolarHBondContact O-N 3.29Å
631	L	94.1	Very high	92	Very high	19 Å²	19	70.3 Å²	70.3	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-57.6	-47.8	177.1	179.9	62	0	0	0	111.4	R467 V470 L471 I474 E627 R628 S633 L634 E635	R467-L631 HydrophobicContact CG-CD1 3.68Å; V470-L631 HydrophobicContact CG1-CB 3.83Å; L471-L631 HydrophobicContact CD2-CD1 4.31Å; L471-L631 HydrophobicContact CD2-CD2 3.72Å; L471-L631 HydrophobicContact CG-CD1 4.22Å; L471-L631 HydrophobicContact CG-CD2 4.48Å; I474-L631 HydrophobicContact CD1-CB 4.28Å; I474-L631 HydrophobicContact CD1-CD2 3.94Å; E627-L631 WeakPolarHBondContact O-CB 3.44Å; E627-L631 PolarHBondContact O-N 3.17Å; R628-L631 WeakPolarHBondContact O-CB 3.29Å; R628-L631 PolarHBondContact O-N 3.41Å; L631-S633 VanDerWaalsContact C-N 3.29Å; L631-S633 PolarHBondContact O-N 3.18Å; L631-L634 PolarHBondContact O-N 2.93Å; L631-E635 HydrophobicContact CD1-CG 4.38Å; L631-E635 WeakPolarHBondContact O-CG 3.4Å; L631-E635 PolarHBondContact O-N 3.39Å
632	L	93.1	Very high	90.5	Very high	111 Å²	111	69 Å²	69	58%	0.581	35%	0.354	S	S	*	.	H	α-helix	trans	-61.2	-36.7	176.5	-69.1	169.9	0	0	0	112.3	R628 D629 K630 G636	R628-L632 WeakPolarHBondContact O-CG 3.29Å; R628-L632 PolarHBondContact O-N 3.44Å; D629-L632 PolarHBondContact O-N 2.93Å; K630-L632 PolarHBondContact O-N 3.44Å; L632-G636 PolarHBondContact O-N 3.01Å
633	S	94.3	Very high	88.4	Confident	68 Å²	68	72.8 Å²	72.8	48%	0.476	37%	0.366	S	S	.	.	H	α-helix	trans	-68.6	-36.9	174.6	-178.2	0	0	0	0	113.1	D629 K630 L631 K637	D629-S633 PolarHBondContact O-N 3.38Å; D629-S633 VanDerWaalsContact O-N 3.07Å; K630-S633 WeakPolarHBondContact O-CB 3.42Å; K630-S633 PolarHBondContact O-N 3.44Å; K630-S633 VanDerWaalsContact O-N 3.16Å; L631-S633 VanDerWaalsContact C-N 3.29Å; L631-S633 PolarHBondContact O-N 3.18Å; S633-K637 WeakPolarHBondContact O-CG 3.38Å; S633-K637 PolarHBondContact O-N 3.44Å; S633-K637 VanDerWaalsContact O-N 3.12Å
634	L	91.1	Very high	86.4	Confident	6 Å²	6	71.6 Å²	71.6	3%	0.031	38%	0.377	C	S	.	.	H	α-helix	trans	-68.9	-41.6	174.6	-69.1	173	0	0	0	111.5	L463 E466 R467 V470 K630 L631 G636 K637 Y638	L463-L634 HydrophobicContact CD2-CD2 3.63Å; E466-L634 HydrophobicContact CB-CD1 3.92Å; E466-L634 HydrophobicContact CB-CD2 4.15Å; R467-L634 HydrophobicContact CB-CD1 4.47Å; V470-L634 HydrophobicContact CB-CD1 4.45Å; V470-L634 HydrophobicContact CG2-CD1 3.91Å; K630-L634 HydrophobicContact CG-CD1 4.35Å; K630-L634 HydrophobicContact CG-CG 4.49Å; K630-L634 WeakPolarHBondContact O-CG 3.44Å; K630-L634 PolarHBondContact O-N 3.29Å; L631-L634 PolarHBondContact O-N 2.93Å; L634-G636 VanDerWaalsContact C-N 3.31Å; L634-G636 PolarHBondContact O-N 3.26Å; L634-K637 PolarHBondContact O-N 3.43Å; L634-Y638 WeakPolarHBondContact O-CB 3.37Å; L634-Y638 PolarHBondContact O-N 3.47Å
635	E	86.9	Confident	83.8	Confident	51 Å²	51	77.7 Å²	77.7	24%	0.238	41%	0.405	C	S	.	.	H	α-helix	trans	-63.1	-37	175.1	-70.9	-179.1	161.2	0	0	111.7	R467 L631 V639	R467-E635 IonicContact CZ-OE1 3.53Å; R467-E635 VanDerWaalsContact CZ-OE1 3.24Å; R467-E635 IonicContact NE-OE1 2.78Å; R467-E635 PolarHBondContact NE-OE1 2.87Å; R467-E635 IonicContact NH2-OE1 3.42Å; R467-E635 PolarHBondContact NH2-OE1 2.97Å; L631-E635 HydrophobicContact CD1-CG 4.38Å; L631-E635 WeakPolarHBondContact O-CG 3.4Å; L631-E635 PolarHBondContact O-N 3.39Å; E635-V639 WeakPolarHBondContact O-CG2 3.44Å; E635-V639 PolarHBondContact O-N 3.17Å; E635-V639 VanDerWaalsContact O-N 3.14Å
636	G	88	Confident	81.2	Confident	40 Å²	40	80.4 Å²	80.4	41%	0.412	43%	0.428	S	S	.	.	H	α-helix	trans	-61.5	-50.3	171.3	0	0	0	0	0	113.5	L632 L634 Y638 V639 E640	L632-G636 PolarHBondContact O-N 3.01Å; L634-G636 VanDerWaalsContact C-N 3.31Å; L634-G636 PolarHBondContact O-N 3.26Å; G636-Y638 VanDerWaalsContact C-N 3.34Å; G636-Y638 PolarHBondContact O-N 2.95Å; G636-V639 PolarHBondContact O-N 3.37Å; G636-E640 PolarHBondContact O-N 2.79Å
637	K	88.7	Confident	78.2	Confident	98 Å²	98	81.4 Å²	81.4	43%	0.426	44%	0.439	S	S	.	.	H	α-helix	trans	-62.2	-39.6	177.4	-71.3	178.2	178.4	-170.8	0	113	L463 S633 L634 V639 E640 L641	L463-K637 HydrophobicContact CD1-CB 4.05Å; L463-K637 HydrophobicContact CD2-CB 4.43Å; L463-K637 HydrophobicContact CD2-CD 4.25Å; S633-K637 WeakPolarHBondContact O-CG 3.38Å; S633-K637 PolarHBondContact O-N 3.44Å; S633-K637 VanDerWaalsContact O-N 3.12Å; L634-K637 PolarHBondContact O-N 3.43Å; K637-V639 VanDerWaalsContact C-N 3.3Å; K637-V639 PolarHBondContact O-N 2.83Å; K637-E640 PolarHBondContact O-N 2.72Å; K637-L641 PolarHBondContact O-N 3.49Å
638	Y	82.9	Confident	75.4	Confident	67 Å²	67	86 Å²	86	26%	0.263	47%	0.469	S	S	.	.	H	α-helix	trans	-61.2	-40.6	177	177.6	-79.1	0	0	0	110.9	V460 E464 L634 G636 S642	V460-Y638 HydrophobicContact CG1-CD2 4.26Å; V460-Y638 HydrophobicContact CG1-CE2 3.73Å; E464-Y638 HydrophobicContact CG-CD2 4.27Å; E464-Y638 HydrophobicContact CG-CE2 3.85Å; L634-Y638 WeakPolarHBondContact O-CB 3.37Å; L634-Y638 PolarHBondContact O-N 3.47Å; G636-Y638 VanDerWaalsContact C-N 3.34Å; G636-Y638 PolarHBondContact O-N 2.95Å; Y638-S642 WeakPolarHBondContact CE1-OG 3.44Å; Y638-S642 VanDerWaalsContact O-CB 3.23Å; Y638-S642 WeakPolarHBondContact O-CB 3.46Å; Y638-S642 PolarHBondContact O-N 2.87Å; Y638-S642 PolarHBondContact O-OG 3.48Å
639	V	83.2	Confident	72.5	Confident	70 Å²	70	88.7 Å²	88.7	42%	0.424	49%	0.491	S	S	.	.	H	α-helix	trans	-65.3	-49.1	173.5	170.2	0	0	0	0	110.9	E635 G636 K637 L641 S642 E643	E635-V639 WeakPolarHBondContact O-CG2 3.44Å; E635-V639 PolarHBondContact O-N 3.17Å; E635-V639 VanDerWaalsContact O-N 3.14Å; G636-V639 PolarHBondContact O-N 3.37Å; K637-V639 VanDerWaalsContact C-N 3.3Å; K637-V639 PolarHBondContact O-N 2.83Å; V639-L641 VanDerWaalsContact C-N 3.31Å; V639-L641 PolarHBondContact O-N 3.07Å; V639-S642 PolarHBondContact O-N 2.86Å; V639-E643 HydrophobicContact CG1-CG 4.16Å; V639-E643 WeakPolarHBondContact O-CG 3.38Å; V639-E643 PolarHBondContact O-N 2.69Å
640	E	83.4	Confident	69.5	Low	152 Å²	152	89.1 Å²	89.1	71%	0.71	49%	0.493	S	S	*	.	H	α-helix	trans	-55.8	-41.4	180	-172.8	173.2	-162.3	0	0	112.8	G636 K637	G636-E640 PolarHBondContact O-N 2.79Å; K637-E640 PolarHBondContact O-N 2.72Å
641	L	76.1	Confident	66.9	Low	48 Å²	48	91.1 Å²	91.1	25%	0.251	51%	0.513	S	S	.	.	H	α-helix	trans	-77.6	-26	175.5	-71.3	163.1	0	0	0	113.5	L456 E459 V460 L463 K637 V639	L456-L641 HydrophobicContact CD2-CD2 3.8Å; E459-L641 HydrophobicContact CG-CD1 3.93Å; V460-L641 HydrophobicContact CG2-CB 4.34Å; L463-L641 HydrophobicContact CD1-CD1 3.45Å; L463-L641 VanDerWaalsContact CD1-CD1 3.45Å; K637-L641 PolarHBondContact O-N 3.49Å; V639-L641 VanDerWaalsContact C-N 3.31Å; V639-L641 PolarHBondContact O-N 3.07Å
642	S	65.5	Low	64.5	Low	49 Å²	49	93.4 Å²	93.4	34%	0.343	53%	0.528	S	S	.	.	H	α-helix	trans	-77.2	-31.3	176.7	-64.6	0	0	0	0	113.1	Y638 V639 G644 Q645	Y638-S642 WeakPolarHBondContact CE1-OG 3.44Å; Y638-S642 VanDerWaalsContact O-CB 3.23Å; Y638-S642 WeakPolarHBondContact O-CB 3.46Å; Y638-S642 PolarHBondContact O-N 2.87Å; Y638-S642 PolarHBondContact O-OG 3.48Å; V639-S642 PolarHBondContact O-N 2.86Å; S642-G644 PolarHBondContact O-N 3.26Å; S642-G644 VanDerWaalsContact O-N 3.08Å; S642-Q645 PolarHBondContact O-N 2.94Å
643	E	55	Low	62	Low	158 Å²	158	90.7 Å²	90.7	74%	0.738	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.6	-177.7	-74.5	-175	170	0	0	113.9	V639 Q645	V639-E643 HydrophobicContact CG1-CG 4.16Å; V639-E643 WeakPolarHBondContact O-CG 3.38Å; V639-E643 PolarHBondContact O-N 2.69Å; E643-Q645 VanDerWaalsContact C-N 3.34Å; E643-Q645 PolarHBondContact O-N 3.34Å
644	G	55.9	Low	59.6	Low	66 Å²	66	92.1 Å²	92.1	68%	0.68	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-14	171.2	0	0	0	0	0	116	S642	S642-G644 PolarHBondContact O-N 3.26Å; S642-G644 VanDerWaalsContact O-N 3.08Å
645	Q	43.1	Very low	57.4	Low	133 Å²	133	99 Å²	99	62%	0.621	55%	0.552	S	S	*	*	S	Bend	trans	-136.2	116.7	177.1	-69.2	-168.3	3.5	0	0	113.5	S642 E643 L647	S642-Q645 PolarHBondContact O-N 2.94Å; E643-Q645 VanDerWaalsContact C-N 3.34Å; E643-Q645 PolarHBondContact O-N 3.34Å; Q645-L647 PolarHBondContact O-N 3.1Å
646	T	41.6	Very low	55.2	Low	145 Å²	145	101.8 Å²	101.8	89%	0.89	57%	0.565	S	S	*	*			trans	-71.7	90.7	175.1	54.1	0	0	0	0	111.8
647	L	33.5	Very low	53.1	Low	157 Å²	157	106 Å²	106	82%	0.822	57%	0.574	S	S	*	*			trans	-123.7	128.2	158.3	-80.3	176.5	0	0	0	110.9	Q645 N649	Q645-L647 PolarHBondContact O-N 3.1Å; L647-N649 PolarHBondContact O-N 3.43Å
648	T	38.1	Very low	51	Low	121 Å²	121	103.3 Å²	103.3	74%	0.742	56%	0.564	S	S	*	*			trans	-65.9	115.8	179.6	51.8	0	0	0	0	110.7
649	N	35.2	Very low	49.3	Very low	149 Å²	149	104.1 Å²	104.1	80%	0.797	57%	0.573	S	S	*	*				174.8	126.2	100.6	-87.1	-44.2	0	0	0	115.1	L647	L647-N649 PolarHBondContact O-N 3.43Å
650	N	33.1	Very low	47.5	Very low	92 Å²	92	105.9 Å²	105.9	49%	0.492	58%	0.58	S	S	.	*			trans	69.9	90.5	141.1	-159.5	9.7	0	0	0	120.1	V652 A653	N650-V652 PolarHBondContact O-N 3.26Å; N650-V652 VanDerWaalsContact O-N 3.1Å; N650-V652 WeakPolarHBondContact OD1-CB 3.36Å; N650-V652 WeakPolarHBondContact OD1-CG2 3.45Å; N650-V652 PolarHBondContact OD1-N 3.41Å; N650-V652 VanDerWaalsContact OD1-N 3.09Å; N650-A653 PolarHBondContact O-N 2.93Å
651	P	42.9	Very low	45.6	Very low	113 Å²	113	103.4 Å²	103.4	73%	0.734	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-4	171.7	30.1	-36.3	0	0	0	114.7
652	V	42.2	Very low	44.2	Very low	68 Å²	68	107 Å²	107	41%	0.412	58%	0.584	S	S	.	*	H	α-helix	trans	-67	-38.5	174.4	179.8	0	0	0	0	111.2	N650 I654 K655 E656	N650-V652 PolarHBondContact O-N 3.26Å; N650-V652 VanDerWaalsContact O-N 3.1Å; N650-V652 WeakPolarHBondContact OD1-CB 3.36Å; N650-V652 WeakPolarHBondContact OD1-CG2 3.45Å; N650-V652 PolarHBondContact OD1-N 3.41Å; N650-V652 VanDerWaalsContact OD1-N 3.09Å; V652-I654 PolarHBondContact O-N 2.79Å; V652-K655 CarbonylContact O-C 3.53Å; V652-K655 WeakPolarHBondContact O-CA 3.38Å; V652-K655 WeakPolarHBondContact O-CB 3.25Å; V652-K655 PolarHBondContact O-N 3.08Å; V652-E656 VanDerWaalsContact CG1-CD 3.49Å; V652-E656 HydrophobicContact CG1-CG 3.81Å; V652-E656 WeakPolarHBondContact O-CG 3.41Å; V652-E656 PolarHBondContact O-N 2.68Å
653	A	40.7	Very low	43	Very low	54 Å²	54	110.2 Å²	110.2	45%	0.446	59%	0.594	S	S	.	*	H	α-helix	trans	-61.4	-41.4	-173.7	0	0	0	0	0	113.4	N650 K655 E656 H657	N650-A653 PolarHBondContact O-N 2.93Å; A653-K655 VanDerWaalsContact C-N 3.34Å; A653-E656 PolarHBondContact O-N 2.92Å; A653-H657 WeakPolarHBondContact O-CB 3.32Å; A653-H657 PolarHBondContact O-N 3.4Å
654	I	45.7	Very low	42.2	Very low	98 Å²	98	112.5 Å²	112.5	50%	0.503	60%	0.596	S	S	.	*	H	α-helix	trans	-66.1	-40.7	176.4	-60.2	176.2	0	0	0	110.2	V652 H657 L658	V652-I654 PolarHBondContact O-N 2.79Å; I654-H657 PolarHBondContact O-N 3.49Å; I654-L658 WeakPolarHBondContact O-CB 3.5Å; I654-L658 PolarHBondContact O-N 2.87Å
655	K	44.3	Very low	41.8	Very low	149 Å²	149	115 Å²	115	65%	0.648	58%	0.584	S	S	*	*	H	α-helix	trans	-68.5	-37	179.3	-163.1	170.7	-174	172.8	0	112.3	V652 A653 N659	V652-K655 CarbonylContact O-C 3.53Å; V652-K655 WeakPolarHBondContact O-CA 3.38Å; V652-K655 WeakPolarHBondContact O-CB 3.25Å; V652-K655 PolarHBondContact O-N 3.08Å; A653-K655 VanDerWaalsContact C-N 3.34Å; K655-N659 WeakPolarHBondContact O-CB 3.41Å; K655-N659 VanDerWaalsContact O-CG 3.27Å; K655-N659 PolarHBondContact O-N 3.34Å
656	E	40.7	Very low	41.5	Very low	111 Å²	111	118.3 Å²	118.3	52%	0.519	59%	0.591	S	S	.	*	H	α-helix	trans	-67.3	-43.2	172.1	-75.5	178.6	156.2	0	0	111.7	V652 A653 L658 N659 L660	V652-E656 VanDerWaalsContact CG1-CD 3.49Å; V652-E656 HydrophobicContact CG1-CG 3.81Å; V652-E656 WeakPolarHBondContact O-CG 3.41Å; V652-E656 PolarHBondContact O-N 2.68Å; A653-E656 PolarHBondContact O-N 2.92Å; E656-L658 VanDerWaalsContact C-N 3.32Å; E656-L658 PolarHBondContact O-N 2.94Å; E656-N659 PolarHBondContact O-N 2.88Å; E656-L660 WeakPolarHBondContact O-CB 3.48Å; E656-L660 WeakPolarHBondContact O-CG 3.32Å; E656-L660 PolarHBondContact O-N 2.96Å
657	H	43.4	Very low	41.1	Very low	129 Å²	129	115.6 Å²	115.6	60%	0.597	58%	0.578	S	S	*	*	H	α-helix	trans	-64.2	-37.2	176.7	-154.2	-80.2	0	0	0	112.2	A653 I654 L661	A653-H657 WeakPolarHBondContact O-CB 3.32Å; A653-H657 PolarHBondContact O-N 3.4Å; I654-H657 PolarHBondContact O-N 3.49Å; H657-L661 PolarHBondContact O-N 3.43Å; H657-L661 VanDerWaalsContact O-N 3.14Å
658	L	44.8	Very low	41.1	Very low	41 Å²	41	112.8 Å²	112.8	22%	0.215	57%	0.572	C	S	.	*	H	α-helix	trans	-70.5	-32	174.1	-124.5	165.3	0	0	0	112.7	I654 E656 K662	I654-L658 WeakPolarHBondContact O-CB 3.5Å; I654-L658 PolarHBondContact O-N 2.87Å; E656-L658 VanDerWaalsContact C-N 3.32Å; E656-L658 PolarHBondContact O-N 2.94Å; L658-K662 WeakPolarHBondContact O-CD 3.37Å; L658-K662 WeakPolarHBondContact O-CG 3.45Å; L658-K662 PolarHBondContact O-N 2.92Å
659	N	46.5	Very low	41.1	Very low	83 Å²	83	116.2 Å²	116.2	44%	0.444	58%	0.576	S	S	.	*	H	α-helix	trans	-73.8	-44.8	173	-78	-13.3	0	0	0	111.6	K655 E656 L661 K662 E663	K655-N659 WeakPolarHBondContact O-CB 3.41Å; K655-N659 VanDerWaalsContact O-CG 3.27Å; K655-N659 PolarHBondContact O-N 3.34Å; E656-N659 PolarHBondContact O-N 2.88Å; N659-L661 VanDerWaalsContact C-N 3.26Å; N659-L661 PolarHBondContact O-N 3.35Å; N659-K662 CarbonylContact O-C 3.57Å; N659-K662 WeakPolarHBondContact O-CA 3.44Å; N659-K662 WeakPolarHBondContact O-CB 3.25Å; N659-K662 PolarHBondContact O-N 3.49Å; N659-E663 VanDerWaalsContact O-CB 3.31Å; N659-E663 WeakPolarHBondContact O-CB 3.27Å; N659-E663 PolarHBondContact O-N 3.37Å
660	L	45.4	Very low	41	Very low	108 Å²	108	117.7 Å²	117.7	57%	0.565	58%	0.578	S	S	*	*	H	α-helix	trans	-57.8	-37.1	175.8	-79.8	164.2	0	0	0	112.1	E656 E663 R664	E656-L660 WeakPolarHBondContact O-CB 3.48Å; E656-L660 WeakPolarHBondContact O-CG 3.32Å; E656-L660 PolarHBondContact O-N 2.96Å; L660-E663 PolarHBondContact O-N 3.37Å; L660-R664 WeakPolarHBondContact O-CB 3.36Å; L660-R664 PolarHBondContact O-N 3.45Å
661	L	44.4	Very low	40.7	Very low	100 Å²	100	118.6 Å²	118.6	52%	0.524	59%	0.592	S	S	.	*	H	α-helix	trans	-65.2	-41.1	172	-82.8	162	0	0	0	112.7	H657 N659 R665	H657-L661 PolarHBondContact O-N 3.43Å; H657-L661 VanDerWaalsContact O-N 3.14Å; N659-L661 VanDerWaalsContact C-N 3.26Å; N659-L661 PolarHBondContact O-N 3.35Å; L661-R665 PolarHBondContact O-N 2.94Å
662	K	46.7	Very low	39.9	Very low	122 Å²	122	119 Å²	119	53%	0.53	60%	0.598	S	S	.	*	H	α-helix	trans	-68.6	-37	175.5	-70.3	167.4	-177.5	171	0	112.3	L658 N659 R665 R666	L658-K662 WeakPolarHBondContact O-CD 3.37Å; L658-K662 WeakPolarHBondContact O-CG 3.45Å; L658-K662 PolarHBondContact O-N 2.92Å; N659-K662 CarbonylContact O-C 3.57Å; N659-K662 WeakPolarHBondContact O-CA 3.44Å; N659-K662 WeakPolarHBondContact O-CB 3.25Å; N659-K662 PolarHBondContact O-N 3.49Å; K662-R665 PolarHBondContact O-N 3.08Å; K662-R666 PolarHBondContact O-N 3.28Å
663	E	39.7	Very low	39.1	Very low	118 Å²	118	121.3 Å²	121.3	55%	0.551	62%	0.617	S	S	*	*	H	α-helix	trans	-74.3	-35.1	-179.4	-162	150.9	-117.5	0	0	111.8	N659 L660 R665 R666 S667	N659-E663 VanDerWaalsContact O-CB 3.31Å; N659-E663 WeakPolarHBondContact O-CB 3.27Å; N659-E663 PolarHBondContact O-N 3.37Å; L660-E663 PolarHBondContact O-N 3.37Å; E663-R665 VanDerWaalsContact C-N 3.33Å; E663-R665 PolarHBondContact O-N 2.82Å; E663-R666 PolarHBondContact O-N 3.01Å; E663-S667 PolarHBondContact O-N 3.22Å; E663-S667 PolarHBondContact O-OG 3.04Å
664	R	38.9	Very low	38.5	Very low	206 Å²	206	127.6 Å²	127.6	78%	0.777	64%	0.636	S	S	*	*	H	α-helix	trans	-69	-25.3	169.7	-163.3	167	-170.5	154.2	2.5	113.6	L660 S667	L660-R664 WeakPolarHBondContact O-CB 3.36Å; L660-R664 PolarHBondContact O-N 3.45Å; R664-S667 WeakPolarHBondContact CA-OG 3.48Å; R664-S667 PolarHBondContact O-OG 2.93Å
665	R	46.8	Very low	37.9	Very low	117 Å²	117	128.9 Å²	128.9	44%	0.442	65%	0.651	S	S	.	*	H	α-helix	trans	-78.4	-32.7	167.3	-77.1	-164.1	-177	148.1	19	113.2	E475 E478 L661 K662 E663	E475-R665 IonicContact OE1-CZ 2.81Å; E475-R665 VanDerWaalsContact OE1-CZ 3.32Å; E475-R665 IonicContact OE1-NE 3.84Å; E475-R665 PolarHBondContact OE1-NE 3.5Å; E475-R665 IonicContact OE1-NH2 3.58Å; E475-R665 PolarHBondContact OE1-NH2 2.98Å; E475-R665 IonicContact OE2-NH2 3.03Å; E475-R665 PolarHBondContact OE2-NH2 3.21Å; E478-R665 IonicContact OE2-NH1 2.74Å; E478-R665 PolarHBondContact OE2-NH1 3.19Å; L661-R665 PolarHBondContact O-N 2.94Å; K662-R665 PolarHBondContact O-N 3.08Å; E663-R665 VanDerWaalsContact C-N 3.33Å; E663-R665 PolarHBondContact O-N 2.82Å
666	R	37.4	Very low	37.1	Very low	204 Å²	204	129 Å²	129	77%	0.77	66%	0.657	S	S	*	*	H	α-helix	trans	-66.8	-46.7	174.6	-77.6	-179.2	171.1	178	-4.4	112.6	K662 E663 S668 K669	K662-R666 PolarHBondContact O-N 3.28Å; E663-R666 PolarHBondContact O-N 3.01Å; R666-S668 PolarHBondContact O-N 3.09Å; R666-K669 PolarHBondContact O-N 3.02Å
667	S	33.4	Very low	36.3	Very low	87 Å²	87	129.3 Å²	129.3	61%	0.608	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-3.4	-179.5	45.1	0	0	0	0	115.3	E663 R664	E663-S667 PolarHBondContact O-N 3.22Å; E663-S667 PolarHBondContact O-OG 3.04Å; R664-S667 WeakPolarHBondContact CA-OG 3.48Å; R664-S667 PolarHBondContact O-OG 2.93Å
668	S	33.6	Very low	35.3	Very low	99 Å²	99	128.4 Å²	128.4	69%	0.692	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	3.4	174.4	-168	0	0	0	0	114.5	R666	R666-S668 PolarHBondContact O-N 3.09Å
669	K	37.3	Very low	34.8	Very low	192 Å²	192	132.7 Å²	132.7	84%	0.835	69%	0.689	S	S	*	*	S	Bend	trans	-133.3	42.3	178.6	-153.8	-179.6	179.6	179.4	0	113.8	R666	R666-K669 PolarHBondContact O-N 3.02Å
670	E	32.7	Very low	34.3	Very low	180 Å²	180	134.9 Å²	134.9	84%	0.841	71%	0.707	S	S	*	*			trans	-143.5	61.7	177.1	-158.5	149	-129.5	0	0	111.5
671	S	26.9	Very low	33.6	Very low	112 Å²	112	136 Å²	136	78%	0.783	71%	0.71	S	S	*	*			trans	-155.5	53.4	-176.8	53.8	0	0	0	0	114.4
672	S	25.5	Very low	33.1	Very low	121 Å²	121	138.9 Å²	138.9	85%	0.846	72%	0.718	S	S	*	*			trans	-144.7	39.1	176.5	71.6	0	0	0	0	116.6
673	S	26.2	Very low	32.3	Very low	117 Å²	117	140.6 Å²	140.6	82%	0.818	72%	0.721	S	S	*	*	S	Bend	trans	-159.9	143.3	155.4	49.7	0	0	0	0	112.5
674	H	27.2	Very low	31.8	Very low	185 Å²	185	138.5 Å²	138.5	86%	0.856	73%	0.731	S	S	*	*			trans	-77.1	171.2	-170.3	-59.8	-60.2	0	0	0	113.4
675	P	34.3	Very low	31.5	Very low	126 Å²	126	135.5 Å²	135.5	82%	0.818	73%	0.726	S	S	*	*			cis	-140.9	-153.9	25	43.1	-20.8	0	0	0	117.8
676	I	26.8	Very low	30.7	Very low	150 Å²	150	137 Å²	137	77%	0.769	74%	0.738	S	S	*	*			trans	-95.1	150.8	-161.1	-58	157.4	0	0	0	109
677	E	23.2	Very low	30.4	Very low	119 Å²	119	133.6 Å²	133.6	56%	0.556	73%	0.734	S	S	*	*				-176.6	156.4	71.6	-159.5	143.3	-157.2	0	0	116.7	R308	R308-E677 IonicContact CZ-OE1 2.85Å; R308-E677 IonicContact CZ-OE2 3.87Å; R308-E677 VanDerWaalsContact CZ-OE2 3.23Å; R308-E677 IonicContact NH1-OE2 2.72Å; R308-E677 PolarHBondContact NH1-OE2 2.8Å; R308-E677 IonicContact NH2-OE1 2.9Å; R308-E677 PolarHBondContact NH2-OE1 3.09Å; R308-E677 IonicContact NH2-OE2 2.69Å; R308-E677 PolarHBondContact NH2-OE2 2.85Å
678	S	23.7	Very low	30.2	Very low	109 Å²	109	137.6 Å²	137.6	76%	0.762	75%	0.747	S	S	*	*			trans	62.1	122	154	53.3	0	0	0	0	123.9
679	I	34.7	Very low	29.9	Very low	132 Å²	132	135.6 Å²	135.6	68%	0.677	74%	0.742	S	S	*	*			trans	-69.4	168.9	167.4	-12.6	177.5	0	0	0	113
680	P	34.5	Very low	29.5	Very low	128 Å²	128	131.1 Å²	131.1	83%	0.831	74%	0.735	S	S	*	*				-125.7	167.2	107.4	-1.5	22.3	0	0	0	118.4
681	H	31.5	Very low	29.2	Very low	133 Å²	133	132.7 Å²	132.7	62%	0.616	74%	0.735	S	S	*	*			trans	-97.3	-176.9	179	-91.2	-23.4	0	0	0	111
682	K	33.6	Very low	29.3	Very low	160 Å²	160	131.1 Å²	131.1	70%	0.696	74%	0.736	S	S	*	*			cis	-167.1	-177.2	-4.4	-120.9	164	179.9	150.3	0	111.3
683	R	30.1	Very low	29.5	Very low	158 Å²	158	136.5 Å²	136.5	60%	0.596	74%	0.738	S	S	*	*			trans	95.1	141.7	165.2	-60.5	-174.8	177	120.2	4	114.4	N744 D745	R683-N744 PolarHBondContact NH1-ND2 3.29Å; R683-N744 PolarHBondContact NH2-ND2 2.96Å; R683-N744 PolarHBondContact NH2-OD1 2.86Å; R683-D745 IonicContact CZ-OD1 3.65Å; R683-D745 VanDerWaalsContact NH1-CG 3.27Å; R683-D745 IonicContact NH1-OD1 3.82Å; R683-D745 PolarHBondContact NH1-OD1 2.83Å; R683-D745 IonicContact NH1-OD2 2.68Å; R683-D745 PolarHBondContact NH1-OD2 3.48Å
684	G	28.5	Very low	29.6	Very low	73 Å²	73	135.9 Å²	135.9	75%	0.753	73%	0.734	S	S	*	*			cis	-165.2	-161.4	-3.8	0	0	0	0	0	110
685	Q	32.4	Very low	29.7	Very low	144 Å²	144	135.2 Å²	135.2	67%	0.673	74%	0.735	S	S	*	*			cis	-169.3	167.6	-5.4	-144.2	-174.9	67.5	0	0	108.5
686	Q	31.3	Very low	29.3	Very low	149 Å²	149	132.5 Å²	132.5	70%	0.696	73%	0.73	S	S	*	*			trans	68.5	157.9	158.6	-64.3	-172.8	27.6	0	0	117.7
687	L	30.8	Very low	29.4	Very low	131 Å²	131	136.9 Å²	136.9	69%	0.686	74%	0.737	S	S	*	*			cis	-156.4	154.4	-10.2	-121.6	176.1	0	0	0	112
688	L	29.7	Very low	29.7	Very low	171 Å²	171	136.8 Å²	136.8	90%	0.895	75%	0.745	S	S	*	*			trans	58.8	173	152	-130.4	63.2	0	0	0	119.7
689	G	26.9	Very low	29.8	Very low	57 Å²	57	139.4 Å²	139.4	59%	0.588	75%	0.75	S	S	*	*			trans	165.3	-93.5	180	0	0	0	0	0	114.5
690	S	28.9	Very low	30.5	Very low	98 Å²	98	138.2 Å²	138.2	69%	0.685	75%	0.751	S	S	*	*			trans	77.7	171.2	170.7	-165.3	0	0	0	0	118.4
691	Y	26.8	Very low	31.1	Very low	214 Å²	214	137.3 Å²	137.3	84%	0.839	74%	0.744	S	S	*	*			trans	79.7	142.5	169.5	-37.4	-67.5	0	0	0	118.1
692	G	28.3	Very low	30.8	Very low	78 Å²	78	140.4 Å²	140.4	80%	0.804	76%	0.756	S	S	*	*			trans	-113.6	-142.3	-174.2	0	0	0	0	0	113.3
693	R	30.5	Very low	30.5	Very low	235 Å²	235	137 Å²	137	89%	0.887	76%	0.757	S	S	*	*			cis	-174	152	13.8	178	-174.5	164.2	-169.9	-4.2	109.6
694	S	28.4	Very low	30.3	Very low	104 Å²	104	138.1 Å²	138.1	73%	0.727	77%	0.769	S	S	*	*			trans	73.6	162.5	162.5	93.1	0	0	0	0	117.7
695	L	29.1	Very low	30.6	Very low	170 Å²	170	141.2 Å²	141.2	89%	0.89	77%	0.768	S	S	*	*			cis	-167.2	134.1	-22.8	-114.6	173.9	0	0	0	111.9
696	G	25.9	Very low	31	Very low	69 Å²	69	140.3 Å²	140.3	71%	0.711	77%	0.774	S	S	*	*				90.7	157.7	128.3	0	0	0	0	0	123.5
697	R	28.4	Very low	30.8	Very low	243 Å²	243	140.8 Å²	140.8	92%	0.917	78%	0.781	S	S	*	*			trans	79.8	168.6	161.4	-74.9	-174.3	175.6	-93.1	-0.2	120.1
698	T	28.6	Very low	30.6	Very low	116 Å²	116	138.9 Å²	138.9	71%	0.712	78%	0.779	S	S	*	*			trans	-163.8	143.1	-138.1	49.1	0	0	0	0	112.1
699	L	26.8	Very low	30.5	Very low	165 Å²	165	139.3 Å²	139.3	86%	0.864	78%	0.776	S	S	*	*			trans	151.3	156.3	135.4	-80.4	169.1	0	0	0	113.5
700	P	49.8	Very low	30.5	Very low	107 Å²	107	142 Å²	142	70%	0.695	79%	0.785	S	S	*	*			trans	-99.6	-159.8	179.7	45	-38.7	0	0	0	111
701	P	47	Very low	30.4	Very low	108 Å²	108	142.8 Å²	142.8	70%	0.701	79%	0.791	S	S	*	*			cis	-142	-163.2	2.7	41.7	-19.3	0	0	0	116.8
702	K	25.6	Very low	30.5	Very low	199 Å²	199	138.3 Å²	138.3	87%	0.865	79%	0.791	S	S	*	*			trans	75.6	131.1	175.1	-58.9	178.3	178.9	-178.6	0	115.2
703	A	25.6	Very low	30.5	Very low	87 Å²	87	141.1 Å²	141.1	72%	0.719	80%	0.797	S	S	*	*			cis	104.9	121.7	11.4	0	0	0	0	0	115.4
704	H	27.6	Very low	30.4	Very low	182 Å²	182	133.2 Å²	133.2	84%	0.843	79%	0.789	S	S	*	*			trans	-173.3	112.5	140.4	-100.8	-71.9	0	0	0	112.2
705	L	34.7	Very low	30.5	Very low	138 Å²	138	133.8 Å²	133.8	72%	0.723	79%	0.793	S	S	*	*			trans	31.3	142.2	138.9	-78.4	162.3	0	0	0	122.2
706	P	40.6	Very low	30.6	Very low	125 Å²	125	131.9 Å²	131.9	81%	0.812	79%	0.788	S	S	*	*				-132.4	178.7	79.4	40.6	-30.5	0	0	0	117.2
707	L	27.4	Very low	30.8	Very low	160 Å²	160	136 Å²	136	84%	0.838	79%	0.792	S	S	*	*			trans	-59.9	163.2	-179	-55.5	156.3	0	0	0	112.4
708	S	25.5	Very low	31.3	Very low	91 Å²	91	128.7 Å²	128.7	64%	0.636	78%	0.776	S	S	*	*			cis	-168.3	-179.2	37.9	57.1	0	0	0	0	112.5
709	Q	27.9	Very low	31.4	Very low	179 Å²	179	132.7 Å²	132.7	84%	0.836	79%	0.787	S	S	*	*			trans	72.3	136.3	168.5	-60.8	175.9	61	0	0	116.7
710	S	27.4	Very low	31.4	Very low	113 Å²	113	127.8 Å²	127.8	79%	0.79	78%	0.776	S	S	*	*			cis	-152.9	157.3	-11	-86.1	0	0	0	0	110
711	S	26.8	Very low	30.2	Very low	116 Å²	116	133.4 Å²	133.4	81%	0.811	79%	0.79	S	S	*	*			trans	-104	129.6	-167	56.8	0	0	0	0	116.1
712	S	27.9	Very low	29.3	Very low	120 Å²	120	132.8 Å²	132.8	84%	0.839	79%	0.788	S	S	*	*			trans	23.2	127.1	146.3	-165.4	0	0	0	0	121.4
713	C	28.9	Very low	29.3	Very low	136 Å²	136	133 Å²	133	92%	0.919	79%	0.79	S	S	*	*			trans	-149.2	124.2	141.5	158.4	0	0	0	0	109.4
714	G	29.5	Very low	29.3	Very low	70 Å²	70	133.7 Å²	133.7	72%	0.722	79%	0.789	S	S	*	*			trans	-159.2	131.9	175	0	0	0	0	0	110.1
715	S	29.7	Very low	30.3	Very low	116 Å²	116	130.2 Å²	130.2	81%	0.811	78%	0.783	S	S	*	*			trans	-94	132.3	-164.2	-175.9	0	0	0	0	114
716	V	30.6	Very low	30	Very low	130 Å²	130	133.9 Å²	133.9	79%	0.788	79%	0.787	S	S	*	*			trans	-144.5	138.4	162.2	-176.4	0	0	0	0	109.3
717	I	30.7	Very low	29.4	Very low	156 Å²	156	135.7 Å²	135.7	80%	0.8	78%	0.784	S	S	*	*			trans	-122.7	147.8	169.9	-76.2	-67.3	0	0	0	107.5
718	P	38.8	Very low	29.4	Very low	89 Å²	89	134 Å²	134	58%	0.578	78%	0.781	S	S	*	*				-117.8	167.9	-128.5	42.3	-37.4	0	0	0	117.6
719	Q	29.7	Very low	29.5	Very low	199 Å²	199	136.8 Å²	136.8	93%	0.93	79%	0.789	S	S	*	*			trans	62.3	151.8	158.8	-67.7	167.5	10.6	0	0	117.5
720	G	27.3	Very low	29.5	Very low	63 Å²	63	131.8 Å²	131.8	65%	0.649	78%	0.778	S	S	*	*			cis	-158	162.9	-8.5	0	0	0	0	0	107.5
721	F	26.2	Very low	29.8	Very low	225 Å²	225	137.7 Å²	137.7	99%	0.987	78%	0.783	S	S	*	*				-153	173	54.6	-91.2	-92.7	0	0	0	112.4
722	S	27.1	Very low	29.9	Very low	94 Å²	94	144.2 Å²	144.2	66%	0.657	79%	0.79	S	S	*	*			trans	-90.2	152	179.4	-178.5	0	0	0	0	113.3
723	F	25	Very low	29.9	Very low	204 Å²	204	146 Å²	146	90%	0.895	79%	0.789	S	S	*	*				-176.9	160.2	119.5	-94.5	-62	0	0	0	113
724	S	25.8	Very low	30.8	Very low	101 Å²	101	145.7 Å²	145.7	71%	0.706	79%	0.785	S	S	*	*			trans	-156.6	-176	174.8	72.1	0	0	0	0	107.8
725	P	49	Very low	30.8	Very low	109 Å²	109	152 Å²	152	71%	0.708	79%	0.792	S	S	*	*			cis	-137.2	-153.7	2.2	36.1	-12.2	0	0	0	113.9
726	R	28.5	Very low	30.9	Very low	216 Å²	216	151.3 Å²	151.3	82%	0.815	79%	0.794	S	S	*	*			trans	84.5	153.2	166.7	-67.8	-164.1	159.4	156.3	3.1	118.9
727	E	27.2	Very low	30.7	Very low	162 Å²	162	148.4 Å²	148.4	76%	0.757	79%	0.79	S	S	*	*			cis	-179.9	174.1	-35.8	-115.7	-178.2	133.2	0	0	108.7
728	V	28.5	Very low	30.8	Very low	125 Å²	125	148.7 Å²	148.7	76%	0.758	79%	0.793	S	S	*	*			trans	122.7	104.9	156.3	178.8	0	0	0	0	117.5
729	N	28.1	Very low	30.4	Very low	150 Å²	150	148.9 Å²	148.9	80%	0.802	80%	0.797	S	S	*	*			trans	29.3	154.1	131.4	-62.7	-62.5	0	0	0	123.7
730	A	27.8	Very low	30.4	Very low	74 Å²	74	147.9 Å²	147.9	61%	0.612	79%	0.792	S	S	*	*			cis	-176.6	153.2	-15.5	0	0	0	0	0	114.5
731	R	33.2	Very low	30.5	Very low	236 Å²	236	148.9 Å²	148.9	89%	0.891	79%	0.794	S	S	*	*			trans	38.5	140.2	145.2	-58.6	175.2	-165.8	-121.2	4.1	123.4
732	R	28.5	Very low	30.8	Very low	254 Å²	254	145.5 Å²	145.5	96%	0.958	78%	0.781	S	S	*	*				-173.1	171.8	115.6	-99.6	167.3	-152.6	-119	6.4	114
733	L	27.8	Very low	30.9	Very low	158 Å²	158	147.9 Å²	147.9	83%	0.827	78%	0.783	S	S	*	*			trans	-144.4	162.1	-170.2	-142.8	84.4	0	0	0	112
734	P	46.9	Very low	31.2	Very low	128 Å²	128	142.6 Å²	142.6	83%	0.831	76%	0.764	S	S	*	*			trans	-147.7	-157.4	132.5	39.1	-21	0	0	0	115.3
735	K	30.5	Very low	31.5	Very low	202 Å²	202	143.1 Å²	143.1	88%	0.878	76%	0.759	S	S	*	*			trans	-163.5	159.1	-170.2	-176.3	-174.6	170.9	-171.5	0	115
736	A	30.8	Very low	30.7	Very low	103 Å²	103	144.7 Å²	144.7	85%	0.851	76%	0.762	S	S	*	*			trans	85.8	156.9	160.2	0	0	0	0	0	119.2
737	G	27.7	Very low	30.8	Very low	68 Å²	68	144.4 Å²	144.4	70%	0.701	76%	0.761	S	S	*	*			cis	171.9	176.9	-7.4	0	0	0	0	0	115.8
738	N	31.9	Very low	31	Very low	163 Å²	163	144.3 Å²	144.3	87%	0.872	76%	0.76	S	S	*	*			trans	70.5	165.2	164.1	-75.4	24	0	0	0	121.7
739	S	31.7	Very low	31.1	Very low	93 Å²	93	147.2 Å²	147.2	65%	0.65	76%	0.757	S	S	*	*			cis	-177.2	144.5	-38.9	60.8	0	0	0	0	116.7
740	H	29.9	Very low	31.1	Very low	178 Å²	178	147.2 Å²	147.2	82%	0.824	75%	0.752	S	S	*	*			trans	93.6	154	140.4	-124.7	-87.7	0	0	0	125.6
741	A	29	Very low	31	Very low	83 Å²	83	147.2 Å²	147.2	69%	0.686	75%	0.748	S	S	*	*			trans	76.2	142.3	172.5	0	0	0	0	0	118.6
742	H	31.4	Very low	30.7	Very low	155 Å²	155	142.5 Å²	142.5	72%	0.718	74%	0.741	S	S	*	*			cis	-158.4	-162.4	-16.1	-122.9	-87.7	0	0	0	107.5
743	M	29.8	Very low	30.6	Very low	144 Å²	144	140.4 Å²	140.4	71%	0.709	74%	0.739	S	S	*	*			cis	-149	-117.8	4.3	-139.4	-36.2	179.5	0	0	114
744	N	30.1	Very low	30.4	Very low	93 Å²	93	137.9 Å²	137.9	50%	0.497	73%	0.733	S	S	.	*			trans	-150.2	171.2	-167.6	-86.5	35.5	0	0	0	108.6	R683	R683-N744 PolarHBondContact NH1-ND2 3.29Å; R683-N744 PolarHBondContact NH2-ND2 2.96Å; R683-N744 PolarHBondContact NH2-OD1 2.86Å
745	D	33.4	Very low	29.5	Very low	112 Å²	112	135.9 Å²	135.9	60%	0.599	72%	0.722	S	S	*	*			cis	-152.1	-140.1	-23.4	-74.9	-27.5	0	0	0	105	R683	R683-D745 IonicContact CZ-OD1 3.65Å; R683-D745 VanDerWaalsContact NH1-CG 3.27Å; R683-D745 IonicContact NH1-OD1 3.82Å; R683-D745 PolarHBondContact NH1-OD1 2.83Å; R683-D745 IonicContact NH1-OD2 2.68Å; R683-D745 PolarHBondContact NH1-OD2 3.48Å
746	D	31.5	Very low	29.4	Very low	142 Å²	142	136.5 Å²	136.5	76%	0.759	72%	0.719	S	S	*	*			cis	-165.1	173.2	-9.3	-173.1	26.3	0	0	0	111.3
747	R	31.6	Very low	29.2	Very low	210 Å²	210	139 Å²	139	79%	0.792	72%	0.715	S	S	*	*			trans	70.3	71.8	146.7	-105.6	178	162.4	-165.8	-6.8	127.4
748	Q	30.6	Very low	29.2	Very low	159 Å²	159	141.6 Å²	141.6	74%	0.743	72%	0.717	S	S	*	*				32.4	125.4	112.1	-158.2	-165.6	37.1	0	0	124.1
749	R	31.4	Very low	29	Very low	187 Å²	187	139.3 Å²	139.3	71%	0.706	71%	0.714	S	S	*	*				162.2	138.6	118.1	-92.1	-173.2	178.3	-112.8	-0.3	117.8
750	Q	27.4	Very low	28.9	Very low	149 Å²	149	142.5 Å²	142.5	70%	0.696	72%	0.718	S	S	*	*			trans	51.9	168.1	143.7	-68.2	179.7	-100	0	0	122.5
751	S	25.7	Very low	29.3	Very low	75 Å²	75	139.2 Å²	139.2	52%	0.524	71%	0.713	S	S	.	*			cis	-165.1	164.1	-49.7	63.5	0	0	0	0	110.2
752	D	26.8	Very low	29.3	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	71%	0.713	S	S	*	*			trans	52.2	121.7	157.6	-40.3	-51.8	0	0	0	121.4
753	F	26.5	Very low	29.2	Very low	210 Å²	210	140.1 Å²	140.1	92%	0.921	72%	0.716	S	S	*	*				-162.9	175.3	108.1	-124.8	-102.1	0	0	0	112.4
754	C	24.7	Very low	29.1	Very low	104 Å²	104	142.1 Å²	142.1	70%	0.703	72%	0.721	S	S	*	*			trans	-136.9	168.4	-159.9	-172	0	0	0	0	113.3
755	S	26.5	Very low	29.1	Very low	87 Å²	87	145.1 Å²	145.1	61%	0.608	74%	0.736	S	S	*	*			trans	74.7	155.1	164.4	-69.3	0	0	0	0	116.9
756	R	29.2	Very low	28.7	Very low	214 Å²	214	146 Å²	146	81%	0.808	74%	0.741	S	S	*	*			cis	-158.7	145.3	-5.2	-119.2	165.6	-147.3	-164.8	1.5	113
757	M	26.8	Very low	28.3	Very low	157 Å²	157	142.6 Å²	142.6	77%	0.773	73%	0.728	S	S	*	*			trans	32.7	121.6	138.4	-65.8	176.1	66.1	0	0	124.3
758	V	26.8	Very low	28.1	Very low	122 Å²	122	141.5 Å²	141.5	74%	0.739	73%	0.73	S	S	*	*				62.6	140	120.4	-165.3	0	0	0	0	121.9
759	S	28.6	Very low	27.8	Very low	114 Å²	114	139.3 Å²	139.3	80%	0.797	73%	0.731	S	S	*	*			trans	89.8	127.5	153.9	31.9	0	0	0	0	122.8
760	E	28.5	Very low	27.7	Very low	160 Å²	160	140.7 Å²	140.7	75%	0.748	74%	0.738	S	S	*	*			trans	-54.8	169.3	154.6	-117.1	-175.1	-128.5	0	0	113.3
761	P	38.7	Very low	28.3	Very low	109 Å²	109	139.2 Å²	139.2	71%	0.708	74%	0.742	S	S	*	*				-151.8	168.3	55.3	41.2	-19.8	0	0	0	120.3
762	N	29.6	Very low	28.3	Very low	131 Å²	131	142 Å²	142	70%	0.701	75%	0.751	S	S	*	*			trans	9.1	144.9	148.8	-62.8	-71.9	0	0	0	122.4
763	V	29.8	Very low	28.3	Very low	127 Å²	127	142.3 Å²	142.3	77%	0.77	75%	0.752	S	S	*	*				177.2	145.6	103.5	151.7	0	0	0	0	111.5
764	F	28	Very low	28.5	Very low	185 Å²	185	136.4 Å²	136.4	81%	0.811	74%	0.737	S	S	*	*			trans	7.9	153.5	158.9	-77.2	-107.9	0	0	0	121.3
765	L	28.2	Very low	29	Very low	157 Å²	157	139.9 Å²	139.9	82%	0.822	74%	0.743	S	S	*	*			cis	-151.9	-177.8	40.2	-156.7	120	0	0	0	114.1
766	D	25.1	Very low	29.1	Very low	131 Å²	131	139.8 Å²	139.8	70%	0.701	75%	0.747	S	S	*	*			trans	-91.8	176.7	-168.6	174.2	54	0	0	0	115
767	S	24.9	Very low	29.1	Very low	70 Å²	70	134.8 Å²	134.8	49%	0.49	75%	0.745	S	S	.	*			trans	125.2	115.9	135	-93.4	0	0	0	0	120.8
768	F	26.3	Very low	29.6	Very low	187 Å²	187	135 Å²	135	82%	0.82	75%	0.749	S	S	*	*			trans	87.3	136.9	142.3	-65.5	-57	0	0	0	126
769	S	24.9	Very low	30	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	76%	0.755	S	S	*	*			trans	74	107	146	44.9	0	0	0	0	123
770	Y	28	Very low	30.6	Very low	216 Å²	216	137.3 Å²	137.3	85%	0.847	76%	0.759	S	S	*	*			trans	-58.3	155	137.9	-89.7	-92.8	0	0	0	110.8
771	P	41.1	Very low	30.9	Very low	119 Å²	119	135.4 Å²	135.4	77%	0.773	76%	0.763	S	S	*	*				-113.1	152.1	58.3	1.6	21.8	0	0	0	113.2
772	D	24.6	Very low	30.8	Very low	133 Å²	133	136.5 Å²	136.5	71%	0.711	77%	0.768	S	S	*	*				67	100.2	58.1	-170.6	31	0	0	0	114.7
773	N	28.6	Very low	30.9	Very low	143 Å²	143	137.2 Å²	137.2	77%	0.765	77%	0.772	S	S	*	*			trans	-154.8	150.9	132.5	-156.8	-7.9	0	0	0	110.9
774	S	29.3	Very low	31.2	Very low	87 Å²	87	136.5 Å²	136.5	61%	0.608	77%	0.773	S	S	*	*			trans	-101.4	130.4	178.7	59.6	0	0	0	0	112.9
775	Q	35	Very low	31.9	Very low	177 Å²	177	132.6 Å²	132.6	83%	0.827	77%	0.768	S	S	*	*			trans	-166.2	126.1	141.3	-102	141.8	80.6	0	0	107.1
776	A	28.7	Very low	32.3	Very low	84 Å²	84	132.8 Å²	132.8	69%	0.694	77%	0.77	S	S	*	*			cis	88.3	122.5	41.1	0	0	0	0	0	113.3
777	S	30.1	Very low	33	Very low	109 Å²	109	131.3 Å²	131.3	76%	0.762	77%	0.77	S	S	*	*			trans	64.7	114	168.1	-53.7	0	0	0	0	116.5
778	D	36.3	Very low	33.6	Very low	161 Å²	161	135 Å²	135	86%	0.861	78%	0.783	S	S	*	*				60.2	90	81.6	-85.3	-24.8	0	0	0	113.6
779	T	35.4	Very low	34	Very low	138 Å²	138	133.2 Å²	133.2	85%	0.847	78%	0.778	S	S	*	*			trans	-132.2	134.9	141	48.2	0	0	0	0	109.6
780	V	41.3	Very low	34.7	Very low	148 Å²	148	134.7 Å²	134.7	90%	0.897	78%	0.782	S	S	*	*			trans	-68.5	141.9	166.4	-70.6	0	0	0	0	109.5
781	S	34.5	Very low	35.2	Very low	119 Å²	119	127.6 Å²	127.6	83%	0.832	76%	0.764	S	S	*	*			trans	-140.1	129.5	164.1	-161.6	0	0	0	0	109.7
782	V	37.4	Very low	34.7	Very low	133 Å²	133	131.9 Å²	131.9	81%	0.806	77%	0.771	S	S	*	*			trans	-92.9	147.5	177.2	-84.7	0	0	0	0	110.7
783	D	31.7	Very low	35.2	Very low	145 Å²	145	131.6 Å²	131.6	78%	0.775	78%	0.779	S	S	*	*			trans	25.9	107.6	140.2	-169.2	30.7	0	0	0	118.6
784	S	35.5	Very low	35.5	Very low	113 Å²	113	128.6 Å²	128.6	79%	0.79	77%	0.774	S	S	*	*				-168.7	145.2	120.7	-79.6	0	0	0	0	111.5
785	S	44	Very low	35.8	Very low	102 Å²	102	130.6 Å²	130.6	71%	0.713	79%	0.787	S	S	*	*			trans	-72.7	141.8	161	-58.4	0	0	0	0	110.6
786	D	36.4	Very low	35.9	Very low	162 Å²	162	127.8 Å²	127.8	87%	0.866	79%	0.787	S	S	*	*				172.7	165	112.9	-92.2	-9.4	0	0	0	111.4
787	S	38.7	Very low	37.3	Very low	100 Å²	100	128.6 Å²	128.6	70%	0.699	79%	0.785	S	S	*	*			trans	144.6	103.5	133.6	-164.9	0	0	0	0	113.8
788	L	38.1	Very low	37.7	Very low	147 Å²	147	130.2 Å²	130.2	77%	0.77	79%	0.785	S	S	*	*			trans	60.1	122.1	133.9	-58.7	179.2	0	0	0	122
789	E	34.3	Very low	38	Very low	150 Å²	150	129.7 Å²	129.7	70%	0.701	78%	0.782	S	S	*	*				67.5	110.5	119.3	-160.8	169.9	-159.8	0	0	119.4
790	T	39.2	Very low	38.3	Very low	142 Å²	142	129.1 Å²	129.1	87%	0.871	77%	0.772	S	S	*	*			trans	-128.9	110.9	153.4	-61.1	0	0	0	0	108.4
791	S	40	Very low	38.7	Very low	67 Å²	67	128.2 Å²	128.2	47%	0.469	77%	0.773	S	S	.	*			trans	-82.4	-171.4	179.7	-79.2	0	0	0	0	112.2
792	F	29.3	Very low	39.5	Very low	210 Å²	210	127.7 Å²	127.7	92%	0.921	77%	0.769	S	S	*	*			trans	76.2	142.2	-174.5	-40	-68.9	0	0	0	114
793	S	36.4	Very low	40.1	Very low	126 Å²	126	123.8 Å²	123.8	88%	0.881	75%	0.751	S	S	*	*			cis	-128.7	167.7	7.9	-165.3	0	0	0	0	112.5
794	A	34.4	Very low	41.4	Very low	80 Å²	80	121.8 Å²	121.8	66%	0.661	75%	0.748	S	S	*	*			trans	-87.2	152.5	-165.6	0	0	0	0	0	115
795	C	36.2	Very low	42.6	Very low	130 Å²	130	122.3 Å²	122.3	88%	0.878	75%	0.747	S	S	*	*			trans	-128	127	139	-79.9	0	0	0	0	107.8
796	S	36.1	Very low	43.4	Very low	118 Å²	118	120.4 Å²	120.4	83%	0.825	73%	0.734	S	S	*	*			trans	-76.6	164.9	-177.4	-96.4	0	0	0	0	112.4
797	P	58.6	Low	44.8	Very low	101 Å²	101	116.7 Å²	116.7	66%	0.656	71%	0.714	S	S	*	*				-118.1	-140.6	-128.6	42.4	-32.2	0	0	0	114.1
798	D	38.4	Very low	46.5	Very low	143 Å²	143	117 Å²	117	77%	0.765	71%	0.705	S	S	*	*			trans	80	88.9	167.7	-53.9	-34.9	0	0	0	118.5
799	N	42.2	Very low	48.4	Very low	150 Å²	150	112.7 Å²	112.7	80%	0.802	69%	0.691	S	S	*	*				-161	140.9	120.3	-118.7	-25.5	0	0	0	116.3
800	I	41.7	Very low	50.6	Low	125 Å²	125	111.5 Å²	111.5	64%	0.641	68%	0.684	S	S	*	*			trans	61.6	92	152.4	-55.1	155.5	0	0	0	118.2	S802	I800-S802 WeakPolarHBondContact CG2-OG 3.43Å; I800-S802 PolarHBondContact O-N 3.1Å
801	S	50.2	Low	52.6	Low	130 Å²	130	108.6 Å²	108.6	91%	0.909	66%	0.662	S	S	*	*			trans	-75.8	100	148.6	-71.8	0	0	0	0	110.3
802	S	51.6	Low	54.7	Low	107 Å²	107	111 Å²	111	75%	0.748	67%	0.666	S	S	*	*			trans	-151.4	31.3	175.1	-66.4	0	0	0	0	115.3	I800	I800-S802 WeakPolarHBondContact CG2-OG 3.43Å; I800-S802 PolarHBondContact O-N 3.1Å
803	A	49.4	Very low	57.4	Low	51 Å²	51	105.4 Å²	105.4	42%	0.421	64%	0.643	S	S	.	*			trans	-132	17.7	-177.9	0	0	0	0	0	114.9	T805 S806 N807	A803-T805 VanDerWaalsContact C-N 3.31Å; A803-T805 PolarHBondContact O-N 2.64Å; A803-T805 VanDerWaalsContact O-N 3.09Å; A803-S806 PolarHBondContact O-N 2.67Å; A803-N807 PolarHBondContact O-N 2.79Å
804	S	60	Low	59.4	Low	104 Å²	104	105.6 Å²	105.6	73%	0.727	63%	0.631	S	S	*	*	H	α-helix	trans	-65.1	-20.5	-158	-147.1	0	0	0	0	116.6
805	T	59.3	Low	61.8	Low	124 Å²	124	106.3 Å²	106.3	76%	0.761	62%	0.621	S	S	*	*	H	α-helix	trans	-92.7	-44.6	179.5	52.2	0	0	0	0	113.1	A803 N807 M808 A809	A803-T805 VanDerWaalsContact C-N 3.31Å; A803-T805 PolarHBondContact O-N 2.64Å; A803-T805 VanDerWaalsContact O-N 3.09Å; T805-N807 PolarHBondContact O-N 3.47Å; T805-M808 PolarHBondContact O-N 3.06Å; T805-A809 PolarHBondContact O-N 3.41Å
806	S	61.6	Low	64.5	Low	62 Å²	62	106.1 Å²	106.1	43%	0.434	60%	0.602	S	S	.	*	H	α-helix	trans	-64.3	-31.1	177.1	-178	0	0	0	0	112.2	A803 K810	A803-S806 PolarHBondContact O-N 2.67Å; S806-K810 WeakPolarHBondContact O-CG 3.47Å; S806-K810 PolarHBondContact O-N 3.42Å
807	N	65.9	Low	67.1	Low	83 Å²	83	105 Å²	105	44%	0.444	59%	0.586	S	S	.	*	H	α-helix	trans	-72	-38.6	176.2	-69.6	-6.1	0	0	0	111.9	A803 T805 K810 I811	A803-N807 PolarHBondContact O-N 2.79Å; T805-N807 PolarHBondContact O-N 3.47Å; N807-K810 PolarHBondContact O-N 3.17Å; N807-I811 WeakPolarHBondContact O-CD1 3.34Å; N807-I811 VanDerWaalsContact O-CG1 3.28Å; N807-I811 WeakPolarHBondContact O-CG1 3.48Å; N807-I811 PolarHBondContact O-N 2.89Å
808	M	73.9	Confident	68.6	Low	106 Å²	106	105 Å²	105	52%	0.522	58%	0.58	S	S	.	*	H	α-helix	trans	-61.5	-51.1	179	-162.8	67.8	73.4	0	0	111.8	T805 K810 I811 E812	T805-M808 PolarHBondContact O-N 3.06Å; M808-K810 VanDerWaalsContact C-N 3.25Å; M808-K810 PolarHBondContact O-N 2.98Å; M808-I811 WeakPolarHBondContact O-CB 3.14Å; M808-I811 PolarHBondContact O-N 3.17Å; M808-E812 PolarHBondContact O-N 2.67Å
809	A	78.6	Confident	71	Confident	58 Å²	58	105.3 Å²	105.3	48%	0.479	57%	0.57	S	S	.	*	H	α-helix	trans	-61.2	-32.8	178.6	0	0	0	0	0	113	T805 E813	T805-A809 PolarHBondContact O-N 3.41Å; A809-E813 WeakPolarHBondContact O-CB 3.3Å; A809-E813 PolarHBondContact O-N 2.84Å
810	K	79	Confident	73.3	Confident	124 Å²	124	103.7 Å²	103.7	54%	0.539	56%	0.558	S	S	.	*	H	α-helix	trans	-71.9	-33.6	173.7	-77	172.4	177.5	164.7	0	113	S806 N807 M808 M814	S806-K810 WeakPolarHBondContact O-CG 3.47Å; S806-K810 PolarHBondContact O-N 3.42Å; N807-K810 PolarHBondContact O-N 3.17Å; M808-K810 VanDerWaalsContact C-N 3.25Å; M808-K810 PolarHBondContact O-N 2.98Å; K810-M814 VanDerWaalsContact O-CB 3.24Å; K810-M814 WeakPolarHBondContact O-CB 3.47Å; K810-M814 PolarHBondContact O-N 2.86Å
811	I	81.3	Confident	75.5	Confident	82 Å²	82	100.1 Å²	100.1	42%	0.421	55%	0.547	S	S	.	.	H	α-helix	trans	-68.6	-48.2	174.1	-69.5	161.9	0	0	0	109.4	N807 M808 E813 M814 E815	N807-I811 WeakPolarHBondContact O-CD1 3.34Å; N807-I811 VanDerWaalsContact O-CG1 3.28Å; N807-I811 WeakPolarHBondContact O-CG1 3.48Å; N807-I811 PolarHBondContact O-N 2.89Å; M808-I811 WeakPolarHBondContact O-CB 3.14Å; M808-I811 PolarHBondContact O-N 3.17Å; I811-E813 VanDerWaalsContact C-N 3.33Å; I811-E813 PolarHBondContact O-N 2.7Å; I811-M814 CarbonylContact O-C 3.58Å; I811-M814 WeakPolarHBondContact O-CB 3.42Å; I811-M814 PolarHBondContact O-N 2.89Å; I811-M814 VanDerWaalsContact O-N 3.1Å; I811-E815 HydrophobicContact CG2-CG 4.47Å; I811-E815 WeakPolarHBondContact O-CG 3.45Å; I811-E815 PolarHBondContact O-N 3.43Å
812	E	85.4	Confident	76.8	Confident	117 Å²	117	98.9 Å²	98.9	55%	0.547	53%	0.527	S	S	.	.	H	α-helix	trans	-58.6	-41.3	175.8	-69.8	175.4	-171.6	0	0	112.5	M808 E815 R816	M808-E812 PolarHBondContact O-N 2.67Å; E812-E815 PolarHBondContact O-N 3.21Å; E812-R816 WeakPolarHBondContact O-CB 3.41Å; E812-R816 PolarHBondContact O-N 3.34Å
813	E	84.6	Confident	78.7	Confident	93 Å²	93	95.7 Å²	95.7	44%	0.435	51%	0.507	S	S	.	.	H	α-helix	trans	-66.4	-40.6	173.8	178	151.3	-112.7	0	0	112.4	A809 I811 R816 L817	A809-E813 WeakPolarHBondContact O-CB 3.3Å; A809-E813 PolarHBondContact O-N 2.84Å; I811-E813 VanDerWaalsContact C-N 3.33Å; I811-E813 PolarHBondContact O-N 2.7Å; E813-R816 WeakPolarHBondContact O-CB 3.33Å; E813-R816 PolarHBondContact O-N 3.06Å; E813-R816 IonicContact OE1-CZ 2.64Å; E813-R816 IonicContact OE1-NH1 3.41Å; E813-R816 PolarHBondContact OE1-NH1 3.27Å; E813-R816 IonicContact OE1-NH2 2.67Å; E813-R816 PolarHBondContact OE1-NH2 2.96Å; E813-L817 HydrophobicContact CG-CD1 4.05Å; E813-L817 WeakPolarHBondContact O-CB 3.41Å; E813-L817 VanDerWaalsContact O-CG 3.31Å; E813-L817 WeakPolarHBondContact O-CG 3.42Å; E813-L817 PolarHBondContact O-N 3.35Å
814	M	79.8	Confident	80.4	Confident	129 Å²	129	99 Å²	99	64%	0.635	51%	0.514	S	S	*	.	H	α-helix	trans	-64.8	-38.5	175.3	-166.8	-176	-51.3	0	0	111.9	K810 I811 L817 L818	K810-M814 VanDerWaalsContact O-CB 3.24Å; K810-M814 WeakPolarHBondContact O-CB 3.47Å; K810-M814 PolarHBondContact O-N 2.86Å; I811-M814 CarbonylContact O-C 3.58Å; I811-M814 WeakPolarHBondContact O-CB 3.42Å; I811-M814 PolarHBondContact O-N 2.89Å; I811-M814 VanDerWaalsContact O-N 3.1Å; M814-L817 PolarHBondContact O-N 3.41Å; M814-L818 VanDerWaalsContact O-CB 3.28Å; M814-L818 WeakPolarHBondContact O-CB 3.33Å; M814-L818 PolarHBondContact O-N 3.26Å
815	E	85.3	Confident	81.5	Confident	96 Å²	96	100.7 Å²	100.7	45%	0.449	51%	0.508	S	S	.	.	H	α-helix	trans	-69.5	-32.1	173.1	-72.1	-178.1	-172.3	0	0	113	I811 E812 R819	I811-E815 HydrophobicContact CG2-CG 4.47Å; I811-E815 WeakPolarHBondContact O-CG 3.45Å; I811-E815 PolarHBondContact O-N 3.43Å; E812-E815 PolarHBondContact O-N 3.21Å; E815-R819 WeakPolarHBondContact O-CB 3.34Å; E815-R819 WeakPolarHBondContact O-CG 3.44Å; E815-R819 PolarHBondContact O-N 2.87Å; E815-R819 VanDerWaalsContact O-N 3.12Å; E815-R819 PolarHBondContact O-NE 3.24Å; E815-R819 IonicContact OE2-NH2 3.65Å; E815-R819 PolarHBondContact OE2-NH2 3.04Å
816	R	91.3	Very high	83	Confident	126 Å²	126	100.5 Å²	100.5	48%	0.475	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-51	171.4	-170.1	-174.1	74.9	-130.2	-6.5	109.7	E812 E813 L818 R819 E820	E812-R816 WeakPolarHBondContact O-CB 3.41Å; E812-R816 PolarHBondContact O-N 3.34Å; E813-R816 WeakPolarHBondContact O-CB 3.33Å; E813-R816 PolarHBondContact O-N 3.06Å; E813-R816 IonicContact OE1-CZ 2.64Å; E813-R816 IonicContact OE1-NH1 3.41Å; E813-R816 PolarHBondContact OE1-NH1 3.27Å; E813-R816 IonicContact OE1-NH2 2.67Å; E813-R816 PolarHBondContact OE1-NH2 2.96Å; R816-L818 VanDerWaalsContact C-N 3.32Å; R816-L818 PolarHBondContact O-N 2.91Å; R816-R819 PolarHBondContact O-N 3.3Å; R816-E820 WeakPolarHBondContact O-CB 3.35Å; R816-E820 PolarHBondContact O-N 2.84Å
817	L	92	Very high	84.5	Confident	94 Å²	94	106.1 Å²	106.1	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-61.8	-37.2	178.1	-70.8	168.6	0	0	0	112.4	E813 M814 E820 A821	E813-L817 HydrophobicContact CG-CD1 4.05Å; E813-L817 WeakPolarHBondContact O-CB 3.41Å; E813-L817 VanDerWaalsContact O-CG 3.31Å; E813-L817 WeakPolarHBondContact O-CG 3.42Å; E813-L817 PolarHBondContact O-N 3.35Å; M814-L817 PolarHBondContact O-N 3.41Å; L817-E820 PolarHBondContact O-N 3.19Å; L817-A821 VanDerWaalsContact O-CB 3.26Å; L817-A821 WeakPolarHBondContact O-CB 3.49Å; L817-A821 PolarHBondContact O-N 3.46Å
818	L	88.8	Confident	85.7	Confident	102 Å²	102	106 Å²	106	53%	0.534	51%	0.512	S	S	.	.	H	α-helix	trans	-65.9	-44.8	175.8	-177.5	62.4	0	0	0	111.7	M814 R816 Q822	M814-L818 VanDerWaalsContact O-CB 3.28Å; M814-L818 WeakPolarHBondContact O-CB 3.33Å; M814-L818 PolarHBondContact O-N 3.26Å; R816-L818 VanDerWaalsContact C-N 3.32Å; R816-L818 PolarHBondContact O-N 2.91Å; L818-Q822 WeakPolarHBondContact O-CB 3.33Å; L818-Q822 WeakPolarHBondContact O-CG 3.42Å; L818-Q822 PolarHBondContact O-N 2.99Å
819	R	89.8	Confident	86.3	Confident	148 Å²	148	104.8 Å²	104.8	56%	0.558	51%	0.508	S	S	*	.	H	α-helix	trans	-64.7	-39.1	175.2	-77.4	176.2	-80.2	-165	-10.7	112	E815 R816 Q822 A823	E815-R819 WeakPolarHBondContact O-CB 3.34Å; E815-R819 WeakPolarHBondContact O-CG 3.44Å; E815-R819 PolarHBondContact O-N 2.87Å; E815-R819 VanDerWaalsContact O-N 3.12Å; E815-R819 PolarHBondContact O-NE 3.24Å; E815-R819 IonicContact OE2-NH2 3.65Å; E815-R819 PolarHBondContact OE2-NH2 3.04Å; R816-R819 PolarHBondContact O-N 3.3Å; R819-Q822 PolarHBondContact O-N 3.42Å; R819-A823 WeakPolarHBondContact O-CB 3.26Å; R819-A823 PolarHBondContact O-N 3.13Å
820	E	89.4	Confident	86.8	Confident	116 Å²	116	106.5 Å²	106.5	54%	0.542	51%	0.506	S	S	.	.	H	α-helix	trans	-65.6	-46.6	176.8	-171.1	161.1	-156.7	0	0	111.6	R816 L817 Q822 A823 E824	R816-E820 WeakPolarHBondContact O-CB 3.35Å; R816-E820 PolarHBondContact O-N 2.84Å; L817-E820 PolarHBondContact O-N 3.19Å; E820-Q822 VanDerWaalsContact C-N 3.34Å; E820-Q822 PolarHBondContact O-N 3.31Å; E820-A823 PolarHBondContact O-N 2.9Å; E820-E824 PolarHBondContact O-N 3.47Å
821	A	87.9	Confident	87.3	Confident	51 Å²	51	106 Å²	106	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-64.7	-33.7	174.5	0	0	0	0	0	113.1	L817 K825	L817-A821 VanDerWaalsContact O-CB 3.26Å; L817-A821 WeakPolarHBondContact O-CB 3.49Å; L817-A821 PolarHBondContact O-N 3.46Å; A821-K825 VanDerWaalsContact O-CB 3.27Å; A821-K825 WeakPolarHBondContact O-CB 3.41Å; A821-K825 PolarHBondContact O-N 2.94Å
822	Q	77.1	Confident	87.4	Confident	104 Å²	104	104.8 Å²	104.8	49%	0.486	50%	0.495	S	S	.	.	H	α-helix	trans	-66.9	-42.3	172.1	-75.9	170.7	-2.6	0	0	111.8	L818 R819 E820 K825 L826	L818-Q822 WeakPolarHBondContact O-CB 3.33Å; L818-Q822 WeakPolarHBondContact O-CG 3.42Å; L818-Q822 PolarHBondContact O-N 2.99Å; R819-Q822 PolarHBondContact O-N 3.42Å; E820-Q822 VanDerWaalsContact C-N 3.34Å; E820-Q822 PolarHBondContact O-N 3.31Å; Q822-K825 PolarHBondContact O-N 3.19Å; Q822-L826 WeakPolarHBondContact O-CG 3.42Å; Q822-L826 PolarHBondContact O-N 3.46Å
823	A	92.1	Very high	87.5	Confident	40 Å²	40	105.2 Å²	105.2	33%	0.331	50%	0.497	S	S	.	.	H	α-helix	trans	-66.8	-38	175.2	0	0	0	0	0	112.5	R819 E820 L826 R827	R819-A823 WeakPolarHBondContact O-CB 3.26Å; R819-A823 PolarHBondContact O-N 3.13Å; E820-A823 PolarHBondContact O-N 2.9Å; A823-L826 PolarHBondContact O-N 2.81Å; A823-R827 WeakPolarHBondContact O-CG 3.47Å; A823-R827 PolarHBondContact O-N 3.02Å; A823-R827 VanDerWaalsContact O-N 3.08Å
824	E	86.6	Confident	87.8	Confident	120 Å²	120	107.1 Å²	107.1	56%	0.561	50%	0.501	S	S	*	.	H	α-helix	trans	-65.7	-45.1	173.3	-173	176.2	-150.6	0	0	111.6	E820 L826 R827 L828	E820-E824 PolarHBondContact O-N 3.47Å; E824-L826 VanDerWaalsContact C-N 3.28Å; E824-L826 PolarHBondContact O-N 2.67Å; E824-R827 PolarHBondContact O-N 3.36Å; E824-R827 VanDerWaalsContact O-N 3.16Å; E824-L828 HydrophobicContact CG-CD1 4.08Å; E824-L828 HydrophobicContact CG-CG 4.41Å; E824-L828 WeakPolarHBondContact O-CG 3.48Å; E824-L828 PolarHBondContact O-N 3.41Å
825	K	82.3	Confident	87.9	Confident	140 Å²	140	104.4 Å²	104.4	61%	0.609	49%	0.486	S	S	*	.	H	α-helix	trans	-54.6	-43.8	173.9	179.5	-175.2	175.4	-173.2	0	111.8	A821 Q822 L828 L829	A821-K825 VanDerWaalsContact O-CB 3.27Å; A821-K825 WeakPolarHBondContact O-CB 3.41Å; A821-K825 PolarHBondContact O-N 2.94Å; Q822-K825 PolarHBondContact O-N 3.19Å; K825-L828 PolarHBondContact O-N 3.49Å; K825-L829 HydrophobicContact CG-CD1 4.25Å; K825-L829 WeakPolarHBondContact O-CG 3.42Å; K825-L829 PolarHBondContact O-N 3Å
826	L	90.8	Very high	87.4	Confident	120 Å²	120	104.4 Å²	104.4	63%	0.628	49%	0.487	S	S	*	.	H	α-helix	trans	-64.4	-45.7	176.8	-73.5	169.5	0	0	0	111.9	Q822 A823 E824 L828 L829 E830	Q822-L826 WeakPolarHBondContact O-CG 3.42Å; Q822-L826 PolarHBondContact O-N 3.46Å; A823-L826 PolarHBondContact O-N 2.81Å; E824-L826 VanDerWaalsContact C-N 3.28Å; E824-L826 PolarHBondContact O-N 2.67Å; L826-L828 VanDerWaalsContact C-N 3.33Å; L826-L828 PolarHBondContact O-N 3.01Å; L826-L829 PolarHBondContact O-N 3.38Å; L826-E830 WeakPolarHBondContact O-CB 3.36Å; L826-E830 PolarHBondContact O-N 3.33Å
827	R	93.8	Very high	87.2	Confident	180 Å²	180	101.6 Å²	101.6	68%	0.679	48%	0.48	S	S	*	.	H	α-helix	trans	-60.6	-39.1	175.6	-72.6	171.6	176.7	157.9	0.2	112.8	A823 E824 H831	A823-R827 WeakPolarHBondContact O-CG 3.47Å; A823-R827 PolarHBondContact O-N 3.02Å; A823-R827 VanDerWaalsContact O-N 3.08Å; E824-R827 PolarHBondContact O-N 3.36Å; E824-R827 VanDerWaalsContact O-N 3.16Å; R827-H831 WeakPolarHBondContact O-CB 3.45Å; R827-H831 PolarHBondContact O-N 3.15Å
828	L	89.3	Confident	86.9	Confident	79 Å²	79	103.3 Å²	103.3	41%	0.414	49%	0.487	S	S	.	.	H	α-helix	trans	-69	-37.6	177.2	-71.5	172.3	0	0	0	112.4	E824 K825 L826 R832	E824-L828 HydrophobicContact CG-CD1 4.08Å; E824-L828 HydrophobicContact CG-CG 4.41Å; E824-L828 WeakPolarHBondContact O-CG 3.48Å; E824-L828 PolarHBondContact O-N 3.41Å; K825-L828 PolarHBondContact O-N 3.49Å; L826-L828 VanDerWaalsContact C-N 3.33Å; L826-L828 PolarHBondContact O-N 3.01Å; L828-R832 VanDerWaalsContact O-CB 3.31Å; L828-R832 WeakPolarHBondContact O-CB 3.41Å; L828-R832 PolarHBondContact O-N 2.99Å
829	L	86.7	Confident	86.3	Confident	81 Å²	81	105.2 Å²	105.2	42%	0.424	49%	0.487	S	S	.	.	H	α-helix	trans	-65.6	-46	172.9	-72.8	169.4	0	0	0	111.5	K825 L826 H831 R832 E833	K825-L829 HydrophobicContact CG-CD1 4.25Å; K825-L829 WeakPolarHBondContact O-CG 3.42Å; K825-L829 PolarHBondContact O-N 3Å; L826-L829 PolarHBondContact O-N 3.38Å; L829-H831 VanDerWaalsContact C-N 3.31Å; L829-H831 PolarHBondContact O-N 2.98Å; L829-R832 WeakPolarHBondContact O-CB 3.24Å; L829-R832 PolarHBondContact O-N 2.94Å; L829-E833 WeakPolarHBondContact O-CB 3.47Å; L829-E833 PolarHBondContact O-N 3.4Å
830	E	90	Very high	85.6	Confident	94 Å²	94	103.4 Å²	103.4	44%	0.439	48%	0.48	S	S	.	.	H	α-helix	trans	-66.3	-30.3	178.6	-159.6	-149.9	-162	0	0	112.4	L826 R834	L826-E830 WeakPolarHBondContact O-CB 3.36Å; L826-E830 PolarHBondContact O-N 3.33Å; E830-R834 VanDerWaalsContact CD-CZ 3.41Å; E830-R834 VanDerWaalsContact CG-NH1 3.34Å; E830-R834 WeakPolarHBondContact O-CG 3.34Å; E830-R834 PolarHBondContact O-N 3.4Å; E830-R834 PolarHBondContact O-NH1 3.49Å; E830-R834 IonicContact OE1-CZ 3.02Å; E830-R834 IonicContact OE1-NH1 3.26Å; E830-R834 IonicContact OE1-NH2 3.5Å; E830-R834 PolarHBondContact OE1-NH2 3.05Å; E830-R834 IonicContact OE2-CZ 2.81Å; E830-R834 IonicContact OE2-NH1 3.81Å; E830-R834 PolarHBondContact OE2-NH1 2.97Å; E830-R834 IonicContact OE2-NH2 3.46Å; E830-R834 PolarHBondContact OE2-NH2 2.66Å
831	H	89.9	Confident	85.5	Confident	115 Å²	115	102.5 Å²	102.5	53%	0.532	48%	0.476	S	S	.	.	H	α-helix	trans	-69.5	-48.7	168.5	-178.1	-74.7	0	0	0	111.6	R827 L829 E833 R834 E835	R827-H831 WeakPolarHBondContact O-CB 3.45Å; R827-H831 PolarHBondContact O-N 3.15Å; L829-H831 VanDerWaalsContact C-N 3.31Å; L829-H831 PolarHBondContact O-N 2.98Å; H831-E833 VanDerWaalsContact C-N 3.27Å; H831-E833 PolarHBondContact O-N 3.34Å; H831-R834 PolarHBondContact O-N 3.34Å; H831-E835 IonicContact CE1-OE2 2.8Å; H831-E835 PolarHBondContact CE1-OE2 3.12Å; H831-E835 IonicContact ND1-OE2 3.23Å; H831-E835 WeakPolarHBondContact O-CB 3.17Å; H831-E835 PolarHBondContact O-N 3.31Å
832	R	82.8	Confident	85.4	Confident	56 Å²	56	102.9 Å²	102.9	21%	0.211	48%	0.479	C	S	.	.	H	α-helix	trans	-57.5	-40.9	178.2	-176.8	-166.9	-178	90.7	0.1	111.5	Q307 L828 L829 E835 M836	Q307-R832 VanDerWaalsContact CB-NH1 3.33Å; Q307-R832 PolarHBondContact O-NH1 3.16Å; Q307-R832 PolarHBondContact O-NH2 2.9Å; Q307-R832 VanDerWaalsContact O-NH2 3.15Å; L828-R832 VanDerWaalsContact O-CB 3.31Å; L828-R832 WeakPolarHBondContact O-CB 3.41Å; L828-R832 PolarHBondContact O-N 2.99Å; L829-R832 WeakPolarHBondContact O-CB 3.24Å; L829-R832 PolarHBondContact O-N 2.94Å; R832-E835 PolarHBondContact O-N 2.74Å; R832-M836 HydrophobicContact CG-CE 4.17Å; R832-M836 HydrophobicContact CG-SD 4.35Å; R832-M836 VanDerWaalsContact O-CG 3.32Å; R832-M836 WeakPolarHBondContact O-CG 3.3Å; R832-M836 PolarHBondContact O-N 3.36Å
833	E	88.3	Confident	85.4	Confident	125 Å²	125	103.9 Å²	103.9	58%	0.584	49%	0.487	S	S	*	.	H	α-helix	trans	-60.5	-52.6	176.2	-175.8	172.8	-160.6	0	0	111.5	L829 H831 E835 M836 E837	L829-E833 WeakPolarHBondContact O-CB 3.47Å; L829-E833 PolarHBondContact O-N 3.4Å; H831-E833 VanDerWaalsContact C-N 3.27Å; H831-E833 PolarHBondContact O-N 3.34Å; E833-E835 VanDerWaalsContact C-N 3.25Å; E833-E835 PolarHBondContact O-N 3.31Å; E833-M836 PolarHBondContact O-N 3.29Å; E833-M836 VanDerWaalsContact O-N 3.14Å; E833-E837 WeakPolarHBondContact O-CB 3.31Å; E833-E837 PolarHBondContact O-N 2.78Å
834	R	91.2	Very high	84.9	Confident	134 Å²	134	106.6 Å²	106.6	51%	0.506	49%	0.493	S	S	.	.	H	α-helix	trans	-57.5	-37.7	174.4	-69.2	179.2	-173.8	105.8	-3.8	112.7	E830 H831 E837 M838	E830-R834 VanDerWaalsContact CD-CZ 3.41Å; E830-R834 VanDerWaalsContact CG-NH1 3.34Å; E830-R834 WeakPolarHBondContact O-CG 3.34Å; E830-R834 PolarHBondContact O-N 3.4Å; E830-R834 PolarHBondContact O-NH1 3.49Å; E830-R834 IonicContact OE1-CZ 3.02Å; E830-R834 IonicContact OE1-NH1 3.26Å; E830-R834 IonicContact OE1-NH2 3.5Å; E830-R834 PolarHBondContact OE1-NH2 3.05Å; E830-R834 IonicContact OE2-CZ 2.81Å; E830-R834 IonicContact OE2-NH1 3.81Å; E830-R834 PolarHBondContact OE2-NH1 2.97Å; E830-R834 IonicContact OE2-NH2 3.46Å; E830-R834 PolarHBondContact OE2-NH2 2.66Å; H831-R834 PolarHBondContact O-N 3.34Å; R834-E837 PolarHBondContact O-N 2.82Å; R834-M838 WeakPolarHBondContact O-CG 3.39Å; R834-M838 PolarHBondContact O-N 2.91Å
835	E	81	Confident	84.9	Confident	72 Å²	72	105.3 Å²	105.3	34%	0.336	49%	0.487	S	S	.	.	H	α-helix	trans	-70.6	-34.2	178.6	-157.3	-166.3	126.2	0	0	112.7	H831 R832 E833 R839	H831-E835 IonicContact CE1-OE2 2.8Å; H831-E835 PolarHBondContact CE1-OE2 3.12Å; H831-E835 IonicContact ND1-OE2 3.23Å; H831-E835 WeakPolarHBondContact O-CB 3.17Å; H831-E835 PolarHBondContact O-N 3.31Å; R832-E835 PolarHBondContact O-N 2.74Å; E833-E835 VanDerWaalsContact C-N 3.25Å; E833-E835 PolarHBondContact O-N 3.31Å; E835-R839 WeakPolarHBondContact O-CG 3.44Å; E835-R839 PolarHBondContact O-N 2.75Å; E835-R839 IonicContact OE1-CZ 3.42Å; E835-R839 IonicContact OE1-NH1 2.69Å; E835-R839 PolarHBondContact OE1-NH1 3.36Å; E835-R839 IonicContact OE1-NH2 3.38Å; E835-R839 PolarHBondContact OE1-NH2 3.17Å
836	M	74.3	Confident	84.4	Confident	96 Å²	96	101.9 Å²	101.9	47%	0.473	47%	0.473	S	S	.	.	H	α-helix	trans	-73.2	-39.7	171.7	-69.4	-175.9	-53.2	0	0	111.5	R832 E833 R839 R840	R832-M836 HydrophobicContact CG-CE 4.17Å; R832-M836 HydrophobicContact CG-SD 4.35Å; R832-M836 VanDerWaalsContact O-CG 3.32Å; R832-M836 WeakPolarHBondContact O-CG 3.3Å; R832-M836 PolarHBondContact O-N 3.36Å; E833-M836 PolarHBondContact O-N 3.29Å; E833-M836 VanDerWaalsContact O-N 3.14Å; M836-R839 WeakPolarHBondContact O-CB 3.32Å; M836-R839 PolarHBondContact O-N 3.15Å; M836-R839 VanDerWaalsContact O-N 3.17Å; M836-R840 PolarHBondContact O-N 3.35Å
837	E	87.9	Confident	83.7	Confident	66 Å²	66	103.6 Å²	103.6	31%	0.308	47%	0.471	S	S	.	.	H	α-helix	trans	-65.5	-43.6	178.5	176.3	55.9	-165.5	0	0	111.8	E833 R834 R839 R840 Q841	E833-E837 WeakPolarHBondContact O-CB 3.31Å; E833-E837 PolarHBondContact O-N 2.78Å; R834-E837 PolarHBondContact O-N 2.82Å; E837-R839 VanDerWaalsContact C-N 3.28Å; E837-R839 PolarHBondContact O-N 2.88Å; E837-R840 VanDerWaalsContact CD-NH2 3.33Å; E837-R840 WeakPolarHBondContact O-CB 3.43Å; E837-R840 PolarHBondContact O-N 3.46Å; E837-R840 VanDerWaalsContact O-N 3.15Å; E837-R840 IonicContact OE1-CZ 3.08Å; E837-R840 IonicContact OE1-NE 3.31Å; E837-R840 IonicContact OE1-NH2 2.78Å; E837-R840 PolarHBondContact OE1-NH2 2.75Å; E837-R840 IonicContact OE2-CZ 3.12Å; E837-R840 IonicContact OE2-NE 4Å; E837-R840 PolarHBondContact OE2-NE 2.83Å; E837-R840 IonicContact OE2-NH2 2.69Å; E837-R840 PolarHBondContact OE2-NH2 2.94Å; E837-R840 VanDerWaalsContact OE2-NH2 3.17Å; E837-Q841 WeakPolarHBondContact O-CG 3.33Å; E837-Q841 PolarHBondContact O-N 3.03Å; E837-Q841 PolarHBondContact OE1-NE2 2.8Å
838	M	84.9	Confident	83.4	Confident	131 Å²	131	101.1 Å²	101.1	65%	0.645	46%	0.462	S	S	*	.	H	α-helix	trans	-63.5	-32.4	171.9	-72.1	-155.7	-56.8	0	0	112.7	R834 A842	R834-M838 WeakPolarHBondContact O-CG 3.39Å; R834-M838 PolarHBondContact O-N 2.91Å; M838-A842 VanDerWaalsContact O-CB 3.3Å; M838-A842 WeakPolarHBondContact O-CB 3.28Å; M838-A842 PolarHBondContact O-N 3.35Å
839	R	75.8	Confident	83.1	Confident	141 Å²	141	103 Å²	103	53%	0.532	46%	0.464	S	S	.	.	H	α-helix	trans	-67.4	-40.6	171.7	-76.4	-177.8	-177.4	103.7	3.2	111.9	E835 M836 E837 A842 L843	E835-R839 WeakPolarHBondContact O-CG 3.44Å; E835-R839 PolarHBondContact O-N 2.75Å; E835-R839 IonicContact OE1-CZ 3.42Å; E835-R839 IonicContact OE1-NH1 2.69Å; E835-R839 PolarHBondContact OE1-NH1 3.36Å; E835-R839 IonicContact OE1-NH2 3.38Å; E835-R839 PolarHBondContact OE1-NH2 3.17Å; M836-R839 WeakPolarHBondContact O-CB 3.32Å; M836-R839 PolarHBondContact O-N 3.15Å; M836-R839 VanDerWaalsContact O-N 3.17Å; E837-R839 VanDerWaalsContact C-N 3.28Å; E837-R839 PolarHBondContact O-N 2.88Å; R839-A842 PolarHBondContact O-N 2.89Å; R839-L843 WeakPolarHBondContact O-CG 3.19Å; R839-L843 PolarHBondContact O-N 2.97Å
840	R	76.4	Confident	82.1	Confident	110 Å²	110	106.6 Å²	106.6	42%	0.415	47%	0.471	S	S	.	.	H	α-helix	trans	-61.3	-50.4	175.6	-170.2	-174.9	68.7	79.5	3.5	110.8	M836 E837 A842 L843 E844	M836-R840 PolarHBondContact O-N 3.35Å; E837-R840 VanDerWaalsContact CD-NH2 3.33Å; E837-R840 WeakPolarHBondContact O-CB 3.43Å; E837-R840 PolarHBondContact O-N 3.46Å; E837-R840 VanDerWaalsContact O-N 3.15Å; E837-R840 IonicContact OE1-CZ 3.08Å; E837-R840 IonicContact OE1-NE 3.31Å; E837-R840 IonicContact OE1-NH2 2.78Å; E837-R840 PolarHBondContact OE1-NH2 2.75Å; E837-R840 IonicContact OE2-CZ 3.12Å; E837-R840 IonicContact OE2-NE 4Å; E837-R840 PolarHBondContact OE2-NE 2.83Å; E837-R840 IonicContact OE2-NH2 2.69Å; E837-R840 PolarHBondContact OE2-NH2 2.94Å; E837-R840 VanDerWaalsContact OE2-NH2 3.17Å; R840-A842 VanDerWaalsContact C-N 3.35Å; R840-A842 PolarHBondContact O-N 3.05Å; R840-L843 PolarHBondContact O-N 3.36Å; R840-E844 WeakPolarHBondContact CG-OE1 3.23Å; R840-E844 IonicContact CZ-OE1 2.77Å; R840-E844 IonicContact CZ-OE2 3.5Å; R840-E844 IonicContact NH1-OE1 2.87Å; R840-E844 PolarHBondContact NH1-OE1 2.88Å; R840-E844 IonicContact NH1-OE2 2.61Å; R840-E844 PolarHBondContact NH1-OE2 2.75Å; R840-E844 PolarHBondContact O-N 2.82Å
841	Q	87.3	Confident	81.8	Confident	97 Å²	97	106.2 Å²	106.2	45%	0.453	47%	0.469	S	S	.	.	H	α-helix	trans	-59.8	-41.2	176.8	-68.2	175.5	9.3	0	0	112.3	E837 L843 E844 E845	E837-Q841 WeakPolarHBondContact O-CG 3.33Å; E837-Q841 PolarHBondContact O-N 3.03Å; E837-Q841 PolarHBondContact OE1-NE2 2.8Å; Q841-L843 PolarHBondContact O-N 2.91Å; Q841-E844 PolarHBondContact O-N 3.18Å; Q841-E845 PolarHBondContact O-N 3.45Å
842	A	84.6	Confident	81.7	Confident	59 Å²	59	104.1 Å²	104.1	49%	0.488	46%	0.46	S	S	.	.	H	α-helix	trans	-64.7	-36.7	176.2	0	0	0	0	0	113.1	M838 R839 R840 E846	M838-A842 VanDerWaalsContact O-CB 3.3Å; M838-A842 WeakPolarHBondContact O-CB 3.28Å; M838-A842 PolarHBondContact O-N 3.35Å; R839-A842 PolarHBondContact O-N 2.89Å; R840-A842 VanDerWaalsContact C-N 3.35Å; R840-A842 PolarHBondContact O-N 3.05Å; A842-E846 VanDerWaalsContact O-CB 3.31Å; A842-E846 WeakPolarHBondContact O-CB 3.45Å; A842-E846 PolarHBondContact O-N 3.37Å
843	L	77.8	Confident	81.7	Confident	126 Å²	126	106.9 Å²	106.9	66%	0.66	48%	0.478	S	S	*	.	H	α-helix	trans	-70	-36.3	173.7	-71.3	169.4	0	0	0	112	R839 R840 Q841 E846 R847	R839-L843 WeakPolarHBondContact O-CG 3.19Å; R839-L843 PolarHBondContact O-N 2.97Å; R840-L843 PolarHBondContact O-N 3.36Å; Q841-L843 PolarHBondContact O-N 2.91Å; L843-E846 PolarHBondContact O-N 3.4Å; L843-R847 VanDerWaalsContact O-CB 3.3Å; L843-R847 WeakPolarHBondContact O-CB 3.24Å; L843-R847 PolarHBondContact O-N 2.85Å
844	E	81.4	Confident	81.3	Confident	97 Å²	97	107.5 Å²	107.5	45%	0.453	48%	0.481	S	S	.	.	H	α-helix	trans	-71	-38.7	176.3	-76.4	169.9	-166.5	0	0	112.4	R840 Q841 R847 R848	R840-E844 WeakPolarHBondContact CG-OE1 3.23Å; R840-E844 IonicContact CZ-OE1 2.77Å; R840-E844 IonicContact CZ-OE2 3.5Å; R840-E844 IonicContact NH1-OE1 2.87Å; R840-E844 PolarHBondContact NH1-OE1 2.88Å; R840-E844 IonicContact NH1-OE2 2.61Å; R840-E844 PolarHBondContact NH1-OE2 2.75Å; R840-E844 PolarHBondContact O-N 2.82Å; Q841-E844 PolarHBondContact O-N 3.18Å; E844-R847 PolarHBondContact O-N 2.99Å; E844-R848 WeakPolarHBondContact O-CB 3.44Å; E844-R848 PolarHBondContact O-N 3.34Å
845	E	86.4	Confident	81.1	Confident	92 Å²	92	107.4 Å²	107.4	43%	0.43	48%	0.484	S	S	.	.	H	α-helix	trans	-61.8	-46.5	169.2	-83.7	-153.3	-172.1	0	0	112.2	Q841 R847 R848 R849	Q841-E845 PolarHBondContact O-N 3.45Å; E845-R847 VanDerWaalsContact C-N 3.31Å; E845-R847 PolarHBondContact O-N 3.33Å; E845-R848 PolarHBondContact O-N 3.24Å; E845-R849 VanDerWaalsContact O-CG 3.26Å; E845-R849 WeakPolarHBondContact O-CG 3.3Å; E845-R849 PolarHBondContact O-N 2.95Å; E845-R849 IonicContact OE2-CZ 3.79Å; E845-R849 IonicContact OE2-NE 2.78Å; E845-R849 IonicContact OE2-NH2 3.34Å; E845-R849 PolarHBondContact OE2-NH2 3.35Å
846	E	71.3	Confident	81.4	Confident	69 Å²	69	111.3 Å²	111.3	32%	0.322	50%	0.496	S	S	.	.	H	α-helix	trans	-66.6	-34.8	-179.4	-179.7	59.3	-163.8	0	0	111.8	A842 L843 R849 R850	A842-E846 VanDerWaalsContact O-CB 3.31Å; A842-E846 WeakPolarHBondContact O-CB 3.45Å; A842-E846 PolarHBondContact O-N 3.37Å; L843-E846 PolarHBondContact O-N 3.4Å; E846-R849 IonicContact OE2-NH1 3.32Å; E846-R850 WeakPolarHBondContact O-CG 3.26Å; E846-R850 PolarHBondContact O-N 2.87Å; E846-R850 IonicContact OE1-CZ 2.62Å; E846-R850 VanDerWaalsContact OE1-CZ 3.26Å; E846-R850 IonicContact OE1-NE 2.79Å; E846-R850 PolarHBondContact OE1-NE 3.38Å; E846-R850 IonicContact OE1-NH2 3.44Å; E846-R850 PolarHBondContact OE1-NH2 2.97Å
847	R	77.1	Confident	81.8	Confident	156 Å²	156	112.2 Å²	112.2	59%	0.589	50%	0.502	S	S	*	.	H	α-helix	trans	-61.4	-51.1	167.5	177.1	-177.8	165	178.3	-4.5	111.1	L843 E844 E845 R849 R850 E851	L843-R847 VanDerWaalsContact O-CB 3.3Å; L843-R847 WeakPolarHBondContact O-CB 3.24Å; L843-R847 PolarHBondContact O-N 2.85Å; E844-R847 PolarHBondContact O-N 2.99Å; E845-R847 VanDerWaalsContact C-N 3.31Å; E845-R847 PolarHBondContact O-N 3.33Å; R847-R849 VanDerWaalsContact C-N 3.29Å; R847-R849 PolarHBondContact O-N 3.06Å; R847-R850 WeakPolarHBondContact O-CA 3.36Å; R847-R850 WeakPolarHBondContact O-CB 3.48Å; R847-R850 PolarHBondContact O-N 3.49Å; R847-E851 IonicContact CZ-OE1 2.7Å; R847-E851 VanDerWaalsContact CZ-OE1 3.23Å; R847-E851 IonicContact NE-OE1 3.9Å; R847-E851 PolarHBondContact NE-OE1 3.16Å; R847-E851 IonicContact NH2-OE1 2.93Å; R847-E851 PolarHBondContact NH2-OE1 3.45Å; R847-E851 PolarHBondContact O-N 2.92Å
848	R	87.9	Confident	81.3	Confident	128 Å²	128	114.6 Å²	114.6	48%	0.483	51%	0.513	S	S	.	.	H	α-helix	trans	-60.1	-38.6	-179.2	-158	-167.6	80.3	-137.9	-0.6	111.9	E844 E845 R850 E851 E852	E844-R848 WeakPolarHBondContact O-CB 3.44Å; E844-R848 PolarHBondContact O-N 3.34Å; E845-R848 PolarHBondContact O-N 3.24Å; R848-R850 VanDerWaalsContact C-N 3.3Å; R848-R850 PolarHBondContact O-N 3.01Å; R848-E851 PolarHBondContact O-N 2.79Å; R848-E852 IonicContact CZ-OE1 3.98Å; R848-E852 IonicContact NE-OE1 2.77Å; R848-E852 PolarHBondContact NE-OE1 3.13Å; R848-E852 IonicContact NH2-OE1 3.69Å; R848-E852 PolarHBondContact NH2-OE1 3.07Å; R848-E852 WeakPolarHBondContact O-CB 3.38Å; R848-E852 WeakPolarHBondContact O-CG 3.47Å; R848-E852 PolarHBondContact O-N 2.95Å
849	R	81.2	Confident	81.4	Confident	119 Å²	119	113.3 Å²	113.3	45%	0.449	51%	0.506	S	S	.	.	H	α-helix	trans	-61.7	-36.3	174	-70.2	167.8	-165.8	-176.6	2.7	112.4	E845 E846 R847 L853	E845-R849 VanDerWaalsContact O-CG 3.26Å; E845-R849 WeakPolarHBondContact O-CG 3.3Å; E845-R849 PolarHBondContact O-N 2.95Å; E845-R849 IonicContact OE2-CZ 3.79Å; E845-R849 IonicContact OE2-NE 2.78Å; E845-R849 IonicContact OE2-NH2 3.34Å; E845-R849 PolarHBondContact OE2-NH2 3.35Å; E846-R849 IonicContact OE2-NH1 3.32Å; R847-R849 VanDerWaalsContact C-N 3.29Å; R847-R849 PolarHBondContact O-N 3.06Å; R849-L853 WeakPolarHBondContact O-CB 3.27Å; R849-L853 VanDerWaalsContact O-CG 3.25Å; R849-L853 WeakPolarHBondContact O-CG 3.37Å; R849-L853 PolarHBondContact O-N 3.37Å
850	R	66.8	Low	81.6	Confident	155 Å²	155	109.2 Å²	109.2	59%	0.585	49%	0.493	S	S	*	.	H	α-helix	trans	-71.4	-42.5	175.5	-68	166.8	-166.8	176.7	1.8	111.5	E846 R847 R848 E852 L853 E854	E846-R850 WeakPolarHBondContact O-CG 3.26Å; E846-R850 PolarHBondContact O-N 2.87Å; E846-R850 IonicContact OE1-CZ 2.62Å; E846-R850 VanDerWaalsContact OE1-CZ 3.26Å; E846-R850 IonicContact OE1-NE 2.79Å; E846-R850 PolarHBondContact OE1-NE 3.38Å; E846-R850 IonicContact OE1-NH2 3.44Å; E846-R850 PolarHBondContact OE1-NH2 2.97Å; R847-R850 WeakPolarHBondContact O-CA 3.36Å; R847-R850 WeakPolarHBondContact O-CB 3.48Å; R847-R850 PolarHBondContact O-N 3.49Å; R848-R850 VanDerWaalsContact C-N 3.3Å; R848-R850 PolarHBondContact O-N 3.01Å; R850-E852 VanDerWaalsContact C-N 3.35Å; R850-E852 PolarHBondContact O-N 3.47Å; R850-L853 PolarHBondContact O-N 3.23Å; R850-E854 WeakPolarHBondContact O-CB 3.43Å; R850-E854 PolarHBondContact O-N 3.48Å
851	E	82.8	Confident	81.5	Confident	86 Å²	86	107 Å²	107	40%	0.402	49%	0.492	S	S	.	.	H	α-helix	trans	-62.1	-40.1	173.2	-67	172.4	169.5	0	0	111.7	R847 R848 K855	R847-E851 IonicContact CZ-OE1 2.7Å; R847-E851 VanDerWaalsContact CZ-OE1 3.23Å; R847-E851 IonicContact NE-OE1 3.9Å; R847-E851 PolarHBondContact NE-OE1 3.16Å; R847-E851 IonicContact NH2-OE1 2.93Å; R847-E851 PolarHBondContact NH2-OE1 3.45Å; R847-E851 PolarHBondContact O-N 2.92Å; R848-E851 PolarHBondContact O-N 2.79Å; E851-K855 VanDerWaalsContact O-CB 3.29Å; E851-K855 WeakPolarHBondContact O-CB 3.45Å; E851-K855 PolarHBondContact O-N 2.84Å
852	E	89.5	Confident	81.2	Confident	72 Å²	72	104.5 Å²	104.5	34%	0.336	48%	0.484	S	S	.	.	H	α-helix	trans	-63.4	-39.1	172.7	-75.8	179.9	-135.1	0	0	112.5	R848 R850 R856	R848-E852 IonicContact CZ-OE1 3.98Å; R848-E852 IonicContact NE-OE1 2.77Å; R848-E852 PolarHBondContact NE-OE1 3.13Å; R848-E852 IonicContact NH2-OE1 3.69Å; R848-E852 PolarHBondContact NH2-OE1 3.07Å; R848-E852 WeakPolarHBondContact O-CB 3.38Å; R848-E852 WeakPolarHBondContact O-CG 3.47Å; R848-E852 PolarHBondContact O-N 2.95Å; R850-E852 VanDerWaalsContact C-N 3.35Å; R850-E852 PolarHBondContact O-N 3.47Å; E852-R856 VanDerWaalsContact O-CG 3.29Å; E852-R856 WeakPolarHBondContact O-CG 3.26Å; E852-R856 PolarHBondContact O-N 3.1Å; E852-R856 VanDerWaalsContact O-N 3.13Å
853	L	82.4	Confident	81.2	Confident	113 Å²	113	109.2 Å²	109.2	59%	0.592	49%	0.49	S	S	*	.	H	α-helix	trans	-73.1	-41.4	177.3	-75.8	169.1	0	0	0	112.5	R849 R850 R856 L857	R849-L853 WeakPolarHBondContact O-CB 3.27Å; R849-L853 VanDerWaalsContact O-CG 3.25Å; R849-L853 WeakPolarHBondContact O-CG 3.37Å; R849-L853 PolarHBondContact O-N 3.37Å; R850-L853 PolarHBondContact O-N 3.23Å; L853-R856 PolarHBondContact O-N 2.87Å; L853-L857 WeakPolarHBondContact O-CB 3.36Å; L853-L857 PolarHBondContact O-N 3.01Å
854	E	78.9	Confident	81.1	Confident	138 Å²	138	110.4 Å²	110.4	65%	0.645	49%	0.486	S	S	*	.	H	α-helix	trans	-62	-43.9	174.5	-177.4	172.8	-164.7	0	0	110.7	R850 R856 L857 Q858	R850-E854 WeakPolarHBondContact O-CB 3.43Å; R850-E854 PolarHBondContact O-N 3.48Å; E854-R856 PolarHBondContact O-N 2.89Å; E854-L857 PolarHBondContact O-N 3.22Å; E854-Q858 WeakPolarHBondContact O-CB 3.48Å; E854-Q858 PolarHBondContact O-N 3.43Å
855	K	88.1	Confident	80.9	Confident	132 Å²	132	112.3 Å²	112.3	57%	0.574	49%	0.494	S	S	*	.	H	α-helix	trans	-57.7	-47.2	173	179.3	173.6	172.4	176.3	0	112	E851 L857 Q858 E859	E851-K855 VanDerWaalsContact O-CB 3.29Å; E851-K855 WeakPolarHBondContact O-CB 3.45Å; E851-K855 PolarHBondContact O-N 2.84Å; K855-L857 VanDerWaalsContact C-N 3.33Å; K855-L857 PolarHBondContact O-N 3.43Å; K855-Q858 PolarHBondContact O-N 2.96Å; K855-E859 WeakPolarHBondContact CE-OE1 3.4Å; K855-E859 HydrophobicContact CG-CG 4.49Å; K855-E859 IonicContact NZ-OE1 3.4Å; K855-E859 WeakPolarHBondContact O-CB 3.3Å; K855-E859 WeakPolarHBondContact O-CG 3.35Å; K855-E859 PolarHBondContact O-N 3.38Å
856	R	86.2	Confident	80.9	Confident	154 Å²	154	114.2 Å²	114.2	58%	0.581	50%	0.501	S	S	*	.	H	α-helix	trans	-62.8	-38.4	176.5	-72.2	173.7	-166.2	-160.7	7.7	112.4	E852 L853 E854 E859 E860	E852-R856 VanDerWaalsContact O-CG 3.29Å; E852-R856 WeakPolarHBondContact O-CG 3.26Å; E852-R856 PolarHBondContact O-N 3.1Å; E852-R856 VanDerWaalsContact O-N 3.13Å; L853-R856 PolarHBondContact O-N 2.87Å; E854-R856 PolarHBondContact O-N 2.89Å; R856-E859 PolarHBondContact O-N 3.48Å; R856-E860 WeakPolarHBondContact O-CB 3.37Å; R856-E860 PolarHBondContact O-N 3.34Å
857	L	83.5	Confident	81.3	Confident	115 Å²	115	115 Å²	115	60%	0.602	51%	0.507	S	S	*	.	H	α-helix	trans	-65.8	-40.7	175.6	-179.2	61.6	0	0	0	111.4	L853 E854 K855 T861	L853-L857 WeakPolarHBondContact O-CB 3.36Å; L853-L857 PolarHBondContact O-N 3.01Å; E854-L857 PolarHBondContact O-N 3.22Å; K855-L857 VanDerWaalsContact C-N 3.33Å; K855-L857 PolarHBondContact O-N 3.43Å; L857-T861 VanDerWaalsContact O-CB 3.23Å; L857-T861 WeakPolarHBondContact O-CB 3.38Å; L857-T861 PolarHBondContact O-N 2.67Å; L857-T861 PolarHBondContact O-OG1 2.61Å
858	Q	77.3	Confident	81.2	Confident	116 Å²	116	111.8 Å²	111.8	54%	0.542	51%	0.505	S	S	.	.	H	α-helix	trans	-68.2	-38.1	176.2	-175.8	65.7	1.4	0	0	111.9	E854 K855 S862	E854-Q858 WeakPolarHBondContact O-CB 3.48Å; E854-Q858 PolarHBondContact O-N 3.43Å; K855-Q858 PolarHBondContact O-N 2.96Å; Q858-S862 VanDerWaalsContact O-CB 3.29Å; Q858-S862 WeakPolarHBondContact O-CB 3.43Å; Q858-S862 PolarHBondContact O-N 2.94Å; Q858-S862 PolarHBondContact O-OG 3.36Å
859	E	87.7	Confident	81	Confident	104 Å²	104	110 Å²	110	49%	0.486	50%	0.502	S	S	.	.	H	α-helix	trans	-66.2	-46.7	173.8	-75.6	171.9	-179.2	0	0	112	K855 R856 S862 R863	K855-E859 WeakPolarHBondContact CE-OE1 3.4Å; K855-E859 HydrophobicContact CG-CG 4.49Å; K855-E859 IonicContact NZ-OE1 3.4Å; K855-E859 WeakPolarHBondContact O-CB 3.3Å; K855-E859 WeakPolarHBondContact O-CG 3.35Å; K855-E859 PolarHBondContact O-N 3.38Å; R856-E859 PolarHBondContact O-N 3.48Å; E859-S862 PolarHBondContact O-N 2.96Å; E859-R863 VanDerWaalsContact O-CB 3.3Å; E859-R863 WeakPolarHBondContact O-CB 3.41Å; E859-R863 PolarHBondContact O-N 3.25Å
860	E	78.4	Confident	80.9	Confident	56 Å²	56	111.3 Å²	111.3	26%	0.262	51%	0.507	S	S	.	.	H	α-helix	trans	-66.7	-36.1	175.6	173.3	62.6	-173.5	0	0	111.8	R856 R863 R864	R856-E860 WeakPolarHBondContact O-CB 3.37Å; R856-E860 PolarHBondContact O-N 3.34Å; E860-R863 WeakPolarHBondContact O-CB 3.48Å; E860-R863 PolarHBondContact O-N 3.32Å; E860-R863 WeakPolarHBondContact OE2-CD 3.41Å; E860-R863 IonicContact OE2-CZ 3.78Å; E860-R863 IonicContact OE2-NH1 2.67Å; E860-R863 PolarHBondContact OE2-NH1 3.49Å; E860-R864 VanDerWaalsContact O-CG 3.31Å; E860-R864 WeakPolarHBondContact O-CG 3.43Å; E860-R864 PolarHBondContact O-N 3.05Å; E860-R864 IonicContact OE1-CZ 3.84Å; E860-R864 VanDerWaalsContact OE1-CZ 3.22Å; E860-R864 IonicContact OE1-NE 3.59Å; E860-R864 PolarHBondContact OE1-NE 2.91Å; E860-R864 IonicContact OE1-NH2 2.75Å; E860-R864 PolarHBondContact OE1-NH2 2.9Å
861	T	74.3	Confident	81.3	Confident	64 Å²	64	107.9 Å²	107.9	39%	0.393	50%	0.497	S	S	.	.	H	α-helix	trans	-64.4	-45.2	172.1	-60	0	0	0	0	110.9	L857 R863 R864 Q865	L857-T861 VanDerWaalsContact O-CB 3.23Å; L857-T861 WeakPolarHBondContact O-CB 3.38Å; L857-T861 PolarHBondContact O-N 2.67Å; L857-T861 PolarHBondContact O-OG1 2.61Å; T861-R863 VanDerWaalsContact C-N 3.29Å; T861-R863 PolarHBondContact O-N 2.91Å; T861-R864 PolarHBondContact O-N 3.18Å; T861-Q865 WeakPolarHBondContact O-CB 3.41Å; T861-Q865 PolarHBondContact O-N 3.14Å
862	S	82.4	Confident	80.9	Confident	43 Å²	43	107.5 Å²	107.5	30%	0.301	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-35.4	174.7	-59.2	0	0	0	0	112.1	Q858 E859 Q865 K866	Q858-S862 VanDerWaalsContact O-CB 3.29Å; Q858-S862 WeakPolarHBondContact O-CB 3.43Å; Q858-S862 PolarHBondContact O-N 2.94Å; Q858-S862 PolarHBondContact O-OG 3.36Å; E859-S862 PolarHBondContact O-N 2.96Å; S862-Q865 PolarHBondContact O-N 3.31Å; S862-K866 WeakPolarHBondContact O-CB 3.35Å; S862-K866 VanDerWaalsContact O-CG 3.32Å; S862-K866 WeakPolarHBondContact O-CG 3.49Å; S862-K866 PolarHBondContact O-N 3.47Å
863	R	83.8	Confident	80.4	Confident	158 Å²	158	109.5 Å²	109.5	60%	0.596	51%	0.508	S	S	*	.	H	α-helix	trans	-68.6	-41.6	175.7	-180	175.7	174.3	-124.9	6.7	111.9	E859 E860 T861 K866 L867	E859-R863 VanDerWaalsContact O-CB 3.3Å; E859-R863 WeakPolarHBondContact O-CB 3.41Å; E859-R863 PolarHBondContact O-N 3.25Å; E860-R863 WeakPolarHBondContact O-CB 3.48Å; E860-R863 PolarHBondContact O-N 3.32Å; E860-R863 WeakPolarHBondContact OE2-CD 3.41Å; E860-R863 IonicContact OE2-CZ 3.78Å; E860-R863 IonicContact OE2-NH1 2.67Å; E860-R863 PolarHBondContact OE2-NH1 3.49Å; T861-R863 VanDerWaalsContact C-N 3.29Å; T861-R863 PolarHBondContact O-N 2.91Å; R863-K866 PolarHBondContact O-N 2.96Å; R863-L867 WeakPolarHBondContact O-CG 3.4Å; R863-L867 PolarHBondContact O-N 3.36Å
864	R	75.6	Confident	79.7	Confident	152 Å²	152	109.1 Å²	109.1	57%	0.574	51%	0.506	S	S	*	.	H	α-helix	trans	-63.9	-43.9	171.1	-71.5	171.9	-169.4	-165.2	3.8	111.3	E860 T861 K866 L867 V868	E860-R864 VanDerWaalsContact O-CG 3.31Å; E860-R864 WeakPolarHBondContact O-CG 3.43Å; E860-R864 PolarHBondContact O-N 3.05Å; E860-R864 IonicContact OE1-CZ 3.84Å; E860-R864 VanDerWaalsContact OE1-CZ 3.22Å; E860-R864 IonicContact OE1-NE 3.59Å; E860-R864 PolarHBondContact OE1-NE 2.91Å; E860-R864 IonicContact OE1-NH2 2.75Å; E860-R864 PolarHBondContact OE1-NH2 2.9Å; T861-R864 PolarHBondContact O-N 3.18Å; R864-K866 VanDerWaalsContact C-N 3.34Å; R864-K866 PolarHBondContact O-N 3.05Å; R864-L867 WeakPolarHBondContact O-CA 3.45Å; R864-L867 WeakPolarHBondContact O-CB 3.22Å; R864-L867 PolarHBondContact O-N 2.71Å; R864-V868 WeakPolarHBondContact O-CG2 3.47Å; R864-V868 PolarHBondContact O-N 3.27Å
865	Q	76.6	Confident	78.4	Confident	136 Å²	136	107 Å²	107	64%	0.636	49%	0.493	S	S	*	.	H	α-helix	trans	-62.6	-39.6	176.1	-164.7	168.8	6.8	0	0	111.6	T861 S862 L867 V868 E869	T861-Q865 WeakPolarHBondContact O-CB 3.41Å; T861-Q865 PolarHBondContact O-N 3.14Å; S862-Q865 PolarHBondContact O-N 3.31Å; Q865-L867 VanDerWaalsContact C-N 3.26Å; Q865-L867 PolarHBondContact O-N 3.28Å; Q865-V868 PolarHBondContact O-N 2.7Å; Q865-E869 VanDerWaalsContact O-CB 3.27Å; Q865-E869 WeakPolarHBondContact O-CB 3.41Å; Q865-E869 PolarHBondContact O-N 2.73Å
866	K	87.2	Confident	76.9	Confident	133 Å²	133	106.3 Å²	106.3	58%	0.578	49%	0.491	S	S	*	.	H	α-helix	trans	-71.5	-10.7	171.4	-74.2	175.9	179.2	179.9	0	115.1	S862 R863 R864 R870	S862-K866 WeakPolarHBondContact O-CB 3.35Å; S862-K866 VanDerWaalsContact O-CG 3.32Å; S862-K866 WeakPolarHBondContact O-CG 3.49Å; S862-K866 PolarHBondContact O-N 3.47Å; R863-K866 PolarHBondContact O-N 2.96Å; R864-K866 VanDerWaalsContact C-N 3.34Å; R864-K866 PolarHBondContact O-N 3.05Å; K866-R870 PolarHBondContact O-NE 3.18Å; K866-R870 PolarHBondContact O-NH2 2.83Å
867	L	79.1	Confident	75.5	Confident	86 Å²	86	106.1 Å²	106.1	45%	0.45	50%	0.495	S	S	.	.	H	α-helix	trans	-87.5	-49.1	167.9	-76.8	161.7	0	0	0	109.4	R863 R864 Q865 E869 R870 E871	R863-L867 WeakPolarHBondContact O-CG 3.4Å; R863-L867 PolarHBondContact O-N 3.36Å; R864-L867 WeakPolarHBondContact O-CA 3.45Å; R864-L867 WeakPolarHBondContact O-CB 3.22Å; R864-L867 PolarHBondContact O-N 2.71Å; Q865-L867 VanDerWaalsContact C-N 3.26Å; Q865-L867 PolarHBondContact O-N 3.28Å; L867-E869 VanDerWaalsContact C-N 3.28Å; L867-E869 PolarHBondContact O-N 3.22Å; L867-R870 VanDerWaalsContact CD2-NH2 3.34Å; L867-R870 PolarHBondContact O-N 3.3Å; L867-R870 VanDerWaalsContact O-N 3.12Å; L867-E871 WeakPolarHBondContact O-CB 3.42Å; L867-E871 PolarHBondContact O-N 3.17Å
868	V	76.6	Confident	73.9	Confident	88 Å²	88	106.4 Å²	106.4	53%	0.533	49%	0.493	S	S	.	.	H	α-helix	trans	-56.6	-40.1	172.7	174.4	0	0	0	0	111.4	R864 Q865 E871 V872	R864-V868 WeakPolarHBondContact O-CG2 3.47Å; R864-V868 PolarHBondContact O-N 3.27Å; Q865-V868 PolarHBondContact O-N 2.7Å; V868-E871 PolarHBondContact O-N 3.34Å; V868-V872 HydrophobicContact CG1-CG2 4.14Å; V868-V872 VanDerWaalsContact O-CB 3.25Å; V868-V872 WeakPolarHBondContact O-CB 3.24Å; V868-V872 WeakPolarHBondContact O-CG2 3.44Å; V868-V872 PolarHBondContact O-N 2.72Å
869	E	83.1	Confident	72.3	Confident	91 Å²	91	108.9 Å²	108.9	43%	0.425	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-36.1	177.6	-166.3	-156.8	146.2	0	0	112.4	Q865 L867 K873	Q865-E869 VanDerWaalsContact O-CB 3.27Å; Q865-E869 WeakPolarHBondContact O-CB 3.41Å; Q865-E869 PolarHBondContact O-N 2.73Å; L867-E869 VanDerWaalsContact C-N 3.28Å; L867-E869 PolarHBondContact O-N 3.22Å; E869-K873 HydrophobicContact CG-CD 4.41Å; E869-K873 VanDerWaalsContact O-CB 3.26Å; E869-K873 WeakPolarHBondContact O-CB 3.13Å; E869-K873 VanDerWaalsContact O-CG 3.25Å; E869-K873 WeakPolarHBondContact O-CG 3.38Å; E869-K873 PolarHBondContact O-N 2.85Å; E869-K873 WeakPolarHBondContact OE1-CE 3.41Å; E869-K873 IonicContact OE1-NZ 3.89Å; E869-K873 PolarHBondContact OE1-NZ 2.98Å
870	R	79.5	Confident	70.2	Confident	146 Å²	146	108.5 Å²	108.5	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-70.7	-39.3	173	-98.2	177.1	-67	148.3	1.9	111.9	K866 L867 K873 L874	K866-R870 PolarHBondContact O-NE 3.18Å; K866-R870 PolarHBondContact O-NH2 2.83Å; L867-R870 VanDerWaalsContact CD2-NH2 3.34Å; L867-R870 PolarHBondContact O-N 3.3Å; L867-R870 VanDerWaalsContact O-N 3.12Å; R870-K873 CarbonylContact O-C 3.58Å; R870-K873 PolarHBondContact O-N 2.67Å; R870-L874 WeakPolarHBondContact O-CG 3.31Å; R870-L874 PolarHBondContact O-N 2.8Å
871	E	75	Confident	68.5	Low	82 Å²	82	113.9 Å²	113.9	38%	0.383	53%	0.531	S	S	.	.	H	α-helix	trans	-67.4	-42.8	177.2	-175.3	53.1	-139.1	0	0	111.3	L867 V868 L874 R875	L867-E871 WeakPolarHBondContact O-CB 3.42Å; L867-E871 PolarHBondContact O-N 3.17Å; V868-E871 PolarHBondContact O-N 3.34Å; E871-L874 PolarHBondContact O-N 2.77Å; E871-R875 VanDerWaalsContact CG-NH1 3.33Å; E871-R875 WeakPolarHBondContact O-CB 3.44Å; E871-R875 PolarHBondContact O-N 2.86Å; E871-R875 IonicContact OE1-CZ 2.7Å; E871-R875 IonicContact OE1-NH1 2.81Å; E871-R875 PolarHBondContact OE1-NH1 3.41Å
872	V	73.2	Confident	66.9	Low	78 Å²	78	114 Å²	114	47%	0.473	54%	0.535	S	S	.	.	H	α-helix	trans	-62.9	-42.7	170.1	168.3	0	0	0	0	110.2	V868 L874 R875 E876	V868-V872 HydrophobicContact CG1-CG2 4.14Å; V868-V872 VanDerWaalsContact O-CB 3.25Å; V868-V872 WeakPolarHBondContact O-CB 3.24Å; V868-V872 WeakPolarHBondContact O-CG2 3.44Å; V868-V872 PolarHBondContact O-N 2.72Å; V872-L874 VanDerWaalsContact C-N 3.31Å; V872-L874 PolarHBondContact O-N 3.27Å; V872-R875 CarbonylContact O-C 3.54Å; V872-R875 PolarHBondContact O-N 2.91Å; V872-E876 WeakPolarHBondContact O-CA 3.36Å; V872-E876 WeakPolarHBondContact O-CB 3.47Å; V872-E876 PolarHBondContact O-N 3.34Å
873	K	79.3	Confident	64.8	Low	114 Å²	114	121.8 Å²	121.8	50%	0.496	56%	0.557	S	S	.	*	H	α-helix	trans	-65.8	-29.3	174.9	-79.9	170.9	173.3	172	0	113.5	E869 R870 K877	E869-K873 HydrophobicContact CG-CD 4.41Å; E869-K873 VanDerWaalsContact O-CB 3.26Å; E869-K873 WeakPolarHBondContact O-CB 3.13Å; E869-K873 VanDerWaalsContact O-CG 3.25Å; E869-K873 WeakPolarHBondContact O-CG 3.38Å; E869-K873 PolarHBondContact O-N 2.85Å; E869-K873 WeakPolarHBondContact OE1-CE 3.41Å; E869-K873 IonicContact OE1-NZ 3.89Å; E869-K873 PolarHBondContact OE1-NZ 2.98Å; R870-K873 CarbonylContact O-C 3.58Å; R870-K873 PolarHBondContact O-N 2.67Å; K873-K877 WeakPolarHBondContact O-CB 3.35Å; K873-K877 PolarHBondContact O-N 2.88Å
874	L	67.9	Low	62.4	Low	106 Å²	106	120.2 Å²	120.2	56%	0.555	56%	0.56	S	S	*	*	H	α-helix	trans	-71	-51.1	169.9	-76.8	165.1	0	0	0	110.9	R870 E871 V872 E876 K877 Q878	R870-L874 WeakPolarHBondContact O-CG 3.31Å; R870-L874 PolarHBondContact O-N 2.8Å; E871-L874 PolarHBondContact O-N 2.77Å; V872-L874 VanDerWaalsContact C-N 3.31Å; V872-L874 PolarHBondContact O-N 3.27Å; L874-E876 PolarHBondContact O-N 3.38Å; L874-K877 CarbonylContact O-C 3.59Å; L874-K877 WeakPolarHBondContact O-CB 3.42Å; L874-K877 PolarHBondContact O-N 3.35Å; L874-Q878 WeakPolarHBondContact O-CB 3.28Å; L874-Q878 PolarHBondContact O-N 3.13Å
875	R	52.6	Low	60.7	Low	94 Å²	94	120.3 Å²	120.3	36%	0.355	57%	0.571	S	S	.	*	H	α-helix	trans	-62.3	-24.4	173.8	-78.1	173.9	153.7	112.9	-20.8	113.3	E355 E871 V872 Q878 R879	E355-R875 IonicContact OE1-CZ 3.35Å; E355-R875 IonicContact OE1-NE 3.31Å; E355-R875 IonicContact OE1-NH2 2.66Å; E355-R875 PolarHBondContact OE1-NH2 2.89Å; E355-R875 IonicContact OE2-NH2 3.96Å; E355-R875 PolarHBondContact OE2-NH2 2.92Å; E871-R875 VanDerWaalsContact CG-NH1 3.33Å; E871-R875 WeakPolarHBondContact O-CB 3.44Å; E871-R875 PolarHBondContact O-N 2.86Å; E871-R875 IonicContact OE1-CZ 2.7Å; E871-R875 IonicContact OE1-NH1 2.81Å; E871-R875 PolarHBondContact OE1-NH1 3.41Å; V872-R875 CarbonylContact O-C 3.54Å; V872-R875 PolarHBondContact O-N 2.91Å; R875-Q878 CarbonylContact O-C 3.47Å; R875-Q878 PolarHBondContact O-N 3.04Å; R875-R879 WeakPolarHBondContact O-CB 3.36Å; R875-R879 WeakPolarHBondContact O-CG 3.4Å; R875-R879 PolarHBondContact O-N 2.96Å
876	E	56.4	Low	59.1	Low	117 Å²	117	119.5 Å²	119.5	55%	0.547	58%	0.576	S	S	.	*	H	α-helix	trans	-85.7	-36.6	176.5	-176.8	170.2	-132.9	0	0	111.6	V872 L874 Q878 R879 S880	V872-E876 WeakPolarHBondContact O-CA 3.36Å; V872-E876 WeakPolarHBondContact O-CB 3.47Å; V872-E876 PolarHBondContact O-N 3.34Å; L874-E876 PolarHBondContact O-N 3.38Å; E876-Q878 PolarHBondContact O-N 2.82Å; E876-R879 PolarHBondContact O-N 2.92Å; E876-S880 PolarHBondContact O-N 2.96Å; E876-S880 PolarHBondContact O-OG 3.38Å
877	K	56.7	Low	56.7	Low	150 Å²	150	123.8 Å²	123.8	65%	0.652	59%	0.588	S	S	*	*	H	α-helix	trans	-61.2	-28.1	162.9	-168.4	174.4	-177.6	-178.7	0	111.6	K873 L874 S880	K873-K877 WeakPolarHBondContact O-CB 3.35Å; K873-K877 PolarHBondContact O-N 2.88Å; L874-K877 CarbonylContact O-C 3.59Å; L874-K877 WeakPolarHBondContact O-CB 3.42Å; L874-K877 PolarHBondContact O-N 3.35Å; K877-S880 VanDerWaalsContact CA-OG 3.3Å; K877-S880 WeakPolarHBondContact CA-OG 3.36Å; K877-S880 PolarHBondContact O-OG 3.42Å
878	Q	48.4	Very low	55.1	Low	120 Å²	120	123.3 Å²	123.3	56%	0.561	58%	0.581	S	S	*	*	H	α-helix	trans	-82	-36.3	172.7	-155.2	169.9	5.1	0	0	112.5	L874 R875 E876 Q881 S882	L874-Q878 WeakPolarHBondContact O-CB 3.28Å; L874-Q878 PolarHBondContact O-N 3.13Å; R875-Q878 CarbonylContact O-C 3.47Å; R875-Q878 PolarHBondContact O-N 3.04Å; E876-Q878 PolarHBondContact O-N 2.82Å; Q878-Q881 CarbonylContact O-C 3.25Å; Q878-Q881 VanDerWaalsContact O-CA 3.31Å; Q878-Q881 WeakPolarHBondContact O-CA 3.43Å; Q878-Q881 WeakPolarHBondContact O-CB 3.41Å; Q878-Q881 PolarHBondContact O-N 2.92Å; Q878-S882 PolarHBondContact O-N 3.27Å; Q878-S882 PolarHBondContact O-OG 3.36Å; Q878-S882 VanDerWaalsContact O-OG 3.08Å
879	R	43.7	Very low	53.3	Low	169 Å²	169	125.7 Å²	125.7	64%	0.638	59%	0.59	S	S	*	*	H	α-helix	trans	-71.8	-24.4	171.5	-80.2	178.4	172.1	178.8	-1.7	114.4	R875 E876 Q881 S882	R875-R879 WeakPolarHBondContact O-CB 3.36Å; R875-R879 WeakPolarHBondContact O-CG 3.4Å; R875-R879 PolarHBondContact O-N 2.96Å; E876-R879 PolarHBondContact O-N 2.92Å; R879-Q881 PolarHBondContact O-N 3.49Å; R879-S882 WeakPolarHBondContact CA-OG 3.45Å; R879-S882 CarbonylContact O-C 3.41Å; R879-S882 VanDerWaalsContact O-C 3.3Å; R879-S882 PolarHBondContact O-N 3.36Å
880	S	44	Very low	51.6	Low	96 Å²	96	123.8 Å²	123.8	67%	0.671	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-5.9	164.7	41.6	0	0	0	0	112.4	E876 K877	E876-S880 PolarHBondContact O-N 2.96Å; E876-S880 PolarHBondContact O-OG 3.38Å; K877-S880 VanDerWaalsContact CA-OG 3.3Å; K877-S880 WeakPolarHBondContact CA-OG 3.36Å; K877-S880 PolarHBondContact O-OG 3.42Å
881	Q	43.8	Very low	50.1	Low	169 Å²	169	120.2 Å²	120.2	79%	0.79	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-27	163.5	-62.6	-175.6	-26.3	0	0	113.1	Q878 R879	Q878-Q881 CarbonylContact O-C 3.25Å; Q878-Q881 VanDerWaalsContact O-CA 3.31Å; Q878-Q881 WeakPolarHBondContact O-CA 3.43Å; Q878-Q881 WeakPolarHBondContact O-CB 3.41Å; Q878-Q881 PolarHBondContact O-N 2.92Å; R879-Q881 PolarHBondContact O-N 3.49Å
882	S	40.5	Very low	49	Very low	66 Å²	66	124 Å²	124	46%	0.462	59%	0.591	S	S	.	*	S	Bend	trans	-107.5	98.8	174.5	55.3	0	0	0	0	112.5	Q878 R879	Q878-S882 PolarHBondContact O-N 3.27Å; Q878-S882 PolarHBondContact O-OG 3.36Å; Q878-S882 VanDerWaalsContact O-OG 3.08Å; R879-S882 WeakPolarHBondContact CA-OG 3.45Å; R879-S882 CarbonylContact O-C 3.41Å; R879-S882 VanDerWaalsContact O-C 3.3Å; R879-S882 PolarHBondContact O-N 3.36Å
883	R	38	Very low	48.1	Very low	207 Å²	207	126.4 Å²	126.4	78%	0.781	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-47.7	138.9	-174.1	-72.5	178.2	172.2	168.4	-2.8	113.8
884	L	32.6	Very low	47.1	Very low	125 Å²	125	128.9 Å²	128.9	65%	0.654	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-64	136.6	165.1	-62.3	170.1	0	0	0	110.6
885	L	40.8	Very low	47	Very low	154 Å²	154	128.8 Å²	128.8	81%	0.806	61%	0.613	S	S	*	*	S	Bend	trans	-61.1	155.8	158.7	-78.7	74.9	0	0	0	109.4
886	T	43.1	Very low	48.2	Very low	119 Å²	119	125 Å²	125	73%	0.73	60%	0.6	S	S	*	*			trans	62.6	56.6	178.1	59.8	0	0	0	0	116.6
887	R	37.3	Very low	49.5	Very low	223 Å²	223	122.6 Å²	122.6	84%	0.842	59%	0.59	S	S	*	*			trans	-133.2	81	143	-75.6	-164.6	178.6	169.3	1.9	110.7	L889	R887-L889 PolarHBondContact O-N 3.34Å
888	Y	43.7	Very low	50.9	Low	76 Å²	76	115.4 Å²	115.4	30%	0.298	56%	0.559	S	S	.	*			trans	-69	113.1	170.6	-66.8	-58.4	0	0	0	109.6	H901 D1015 V1018 E1022	Y888-H901 AromaticContact CD1-CE1 3.66Å; Y888-D1015 PolarHBondContact OH-OD1 2.95Å; Y888-V1018 HydrophobicContact CD2-CG1 4.48Å; Y888-V1018 HydrophobicContact CE2-CG1 4.45Å; Y888-E1022 WeakPolarHBondContact CB-OE2 3.45Å
889	L	39.9	Very low	52.8	Low	137 Å²	137	111.6 Å²	111.6	72%	0.717	54%	0.541	S	S	*	.			trans	-83.1	130.9	169	-81.6	166.1	0	0	0	108.4	R887 V891	R887-L889 PolarHBondContact O-N 3.34Å; L889-V891 PolarHBondContact O-N 2.7Å
890	P	47.2	Very low	54.8	Low	51 Å²	51	104.6 Å²	104.6	33%	0.331	52%	0.521	S	S	.	.			trans	-68.7	91.8	171.7	-18.6	31.9	0	0	0	110.2	R892	P890-R892 VanDerWaalsContact C-N 3.27Å; P890-R892 HydrophobicContact CB-CG 4.47Å; P890-R892 PolarHBondContact O-N 2.79Å
891	V	47	Very low	56.8	Low	71 Å²	71	101.7 Å²	101.7	43%	0.43	50%	0.497	S	S	.	.			trans	-73.2	81.3	178.1	-176.4	0	0	0	0	109.4	L889 K893 F896	L889-V891 PolarHBondContact O-N 2.7Å; V891-K893 HydrophobicContact CG1-CB 4.3Å; V891-K893 HydrophobicContact CG1-CG 4.25Å; V891-K893 PolarHBondContact O-N 3.3Å; V891-F896 HydrophobicContact CB-CD2 3.95Å; V891-F896 HydrophobicContact CB-CE2 4.46Å; V891-F896 HydrophobicContact CG1-CD2 4.01Å
892	R	53.6	Low	58.8	Low	163 Å²	163	93.7 Å²	93.7	62%	0.615	46%	0.46	S	S	*	.			trans	-78.2	40	178.7	-59.8	-174.8	-172.5	83	-0.1	113.2	P890 H1026	P890-R892 VanDerWaalsContact C-N 3.27Å; P890-R892 HydrophobicContact CB-CG 4.47Å; P890-R892 PolarHBondContact O-N 2.79Å; R892-H1026 PolarHBondContact NH2-CD2 3.09Å; R892-H1026 PolarHBondContact NH2-ND1 3.37Å; R892-H1026 PolarHBondContact NH2-NE2 3.01Å
893	K	54.4	Low	61	Low	128 Å²	128	95 Å²	95	56%	0.557	46%	0.459	S	S	*	.			trans	-101.3	142.9	175.6	-64.5	-172.3	171	-169.4	0	110.5	V891 D895 F896	V891-K893 HydrophobicContact CG1-CB 4.3Å; V891-K893 HydrophobicContact CG1-CG 4.25Å; V891-K893 PolarHBondContact O-N 3.3Å; K893-D895 WeakPolarHBondContact CB-OD1 3.41Å; K893-D895 WeakPolarHBondContact CD-OD1 3.44Å; K893-D895 WeakPolarHBondContact CD-OD2 3.35Å; K893-D895 IonicContact NZ-OD1 3.62Å; K893-D895 IonicContact NZ-OD2 3.72Å; K893-D895 PolarHBondContact NZ-OD2 2.91Å; K893-D895 PolarHBondContact O-N 2.99Å; K893-F896 WeakPolarHBondContact O-CB 3.33Å; K893-F896 PolarHBondContact O-N 2.9Å; K893-F896 VanDerWaalsContact O-N 3.12Å
894	D	56.6	Low	63.1	Low	165 Å²	165	88.2 Å²	88.2	88%	0.882	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.8	175	-54.6	-66.7	0	0	0	112.3	F896 K920	D894-F896 PolarHBondContact O-N 3.46Å; D894-K920 PolarHBondContact O-NZ 3.03Å
895	D	66.2	Low	65.3	Low	105 Å²	105	84.2 Å²	84.2	56%	0.561	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	0.7	173.9	73.5	6.2	0	0	0	114.6	K893 D897	K893-D895 WeakPolarHBondContact CB-OD1 3.41Å; K893-D895 WeakPolarHBondContact CD-OD1 3.44Å; K893-D895 WeakPolarHBondContact CD-OD2 3.35Å; K893-D895 IonicContact NZ-OD1 3.62Å; K893-D895 IonicContact NZ-OD2 3.72Å; K893-D895 PolarHBondContact NZ-OD2 2.91Å; K893-D895 PolarHBondContact O-N 2.99Å; D895-D897 PolarHBondContact O-N 3.21Å; D895-D897 VanDerWaalsContact O-N 3.09Å
896	F	77.2	Confident	67.2	Low	15 Å²	15	79.9 Å²	79.9	7%	0.066	42%	0.424	C	S	.	.			trans	-49.2	116.5	-174.9	173.8	-94.4	0	0	0	113.1	V891 K893 D894 L898 H901 K920 Q945 T1019	V891-F896 HydrophobicContact CB-CD2 3.95Å; V891-F896 HydrophobicContact CB-CE2 4.46Å; V891-F896 HydrophobicContact CG1-CD2 4.01Å; K893-F896 WeakPolarHBondContact O-CB 3.33Å; K893-F896 PolarHBondContact O-N 2.9Å; K893-F896 VanDerWaalsContact O-N 3.12Å; D894-F896 PolarHBondContact O-N 3.46Å; F896-L898 HydrophobicContact CE1-CB 3.97Å; F896-L898 HydrophobicContact CE1-CD1 4.04Å; F896-L898 HydrophobicContact CZ-CD1 4.22Å; F896-H901 HydrophobicContact CE2-CB 3.98Å; F896-H901 AromaticContact CE2-CG 3.93Å; F896-H901 AromaticContact CE2-ND1 3.92Å; F896-H901 HydrophobicContact CZ-CB 3.89Å; F896-H901 AromaticContact CZ-CG 3.87Å; F896-K920 WeakPolarHBondContact O-CE 3.21Å; F896-K920 PolarHBondContact O-NZ 3.35Å; F896-Q945 HydrophobicContact CD1-CG 4.04Å; F896-Q945 HydrophobicContact CE1-CG 4.31Å; F896-T1019 HydrophobicContact CE2-CG2 4.3Å; F896-T1019 HydrophobicContact CZ-CG2 3.78Å
897	D	84.2	Confident	69.3	Low	65 Å²	65	75 Å²	75	35%	0.348	39%	0.393	S	S	.	.			trans	-99.7	114.6	176.3	170.6	26.6	0	0	0	110.7	D895 H899 G900 H901 D919	D895-D897 PolarHBondContact O-N 3.21Å; D895-D897 VanDerWaalsContact O-N 3.09Å; D897-H899 VanDerWaalsContact C-N 3.34Å; D897-H899 WeakPolarHBondContact OD1-CA 3.48Å; D897-H899 VanDerWaalsContact OD1-CB 3.28Å; D897-H899 WeakPolarHBondContact OD1-CB 3.28Å; D897-H899 PolarHBondContact OD1-N 2.77Å; D897-G900 VanDerWaalsContact CG-N 3.35Å; D897-G900 PolarHBondContact OD1-N 2.93Å; D897-G900 VanDerWaalsContact OD2-CA 3.29Å; D897-G900 WeakPolarHBondContact OD2-CA 3.4Å; D897-G900 PolarHBondContact OD2-N 2.94Å; D897-H901 WeakPolarHBondContact O-CB 3.31Å; D897-H901 PolarHBondContact O-N 3.02Å; D897-H901 VanDerWaalsContact O-N 3.08Å; D897-D919 VanDerWaalsContact OD1-CA 3.24Å; D897-D919 WeakPolarHBondContact OD1-CA 3.4Å; D897-D919 WeakPolarHBondContact OD1-CB 3.35Å
898	L	87.1	Confident	71.6	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-69.6	-28	175.5	-174	65.7	0	0	0	112.8	F896 I902 D919 C922 F943 V1016	F896-L898 HydrophobicContact CE1-CB 3.97Å; F896-L898 HydrophobicContact CE1-CD1 4.04Å; F896-L898 HydrophobicContact CZ-CD1 4.22Å; L898-I902 HydrophobicContact CD1-CG1 4.4Å; L898-I902 WeakPolarHBondContact O-CB 3.41Å; L898-I902 VanDerWaalsContact O-CG1 3.23Å; L898-I902 WeakPolarHBondContact O-CG1 3.37Å; L898-I902 PolarHBondContact O-N 2.87Å; L898-I902 VanDerWaalsContact O-N 3.16Å; L898-D919 WeakPolarHBondContact CB-O 3.47Å; L898-D919 PolarHBondContact N-O 2.93Å; L898-C922 HydrophobicContact CD2-CB 4.15Å; L898-F943 HydrophobicContact CD1-CE1 4.22Å; L898-F943 HydrophobicContact CD2-CD1 3.89Å; L898-F943 HydrophobicContact CD2-CE1 3.88Å; L898-V1016 HydrophobicContact CD1-CG2 4.32Å
899	H	88.4	Confident	73.6	Confident	39 Å²	39	65.5 Å²	65.5	18%	0.181	36%	0.364	C	S	.	.	H	α-helix	trans	-70.3	-60.6	-180	-164.2	-83.1	0	0	0	109.9	D897 H901 I902 E903 P909	D897-H899 VanDerWaalsContact C-N 3.34Å; D897-H899 WeakPolarHBondContact OD1-CA 3.48Å; D897-H899 VanDerWaalsContact OD1-CB 3.28Å; D897-H899 WeakPolarHBondContact OD1-CB 3.28Å; D897-H899 PolarHBondContact OD1-N 2.77Å; H899-H901 PolarHBondContact O-N 3.5Å; H899-I902 PolarHBondContact O-N 3.19Å; H899-E903 IonicContact CE1-OE1 3.29Å; H899-E903 PolarHBondContact CE1-OE1 2.84Å; H899-E903 IonicContact ND1-OE1 3.85Å; H899-E903 PolarHBondContact ND1-OE1 3.15Å; H899-E903 IonicContact ND1-OE2 3.52Å; H899-E903 PolarHBondContact O-N 3.43Å; H899-P909 WeakPolarHBondContact CE1-CG 3.41Å; H899-P909 VanDerWaalsContact NE2-CG 3.34Å; H899-P909 WeakPolarHBondContact NE2-CG 3.32Å
900	G	85.8	Confident	75.6	Confident	22 Å²	22	65.4 Å²	65.4	23%	0.227	37%	0.365	C	S	.	.	H	α-helix	trans	-61.2	-26.8	175.2	0	0	0	0	0	113.9	D897 A904	D897-G900 VanDerWaalsContact CG-N 3.35Å; D897-G900 PolarHBondContact OD1-N 2.93Å; D897-G900 VanDerWaalsContact OD2-CA 3.29Å; D897-G900 WeakPolarHBondContact OD2-CA 3.4Å; D897-G900 PolarHBondContact OD2-N 2.94Å; G900-A904 WeakPolarHBondContact O-CB 3.27Å; G900-A904 PolarHBondContact O-N 3.17Å
901	H	84.7	Confident	77.4	Confident	36 Å²	36	65.2 Å²	65.2	17%	0.167	37%	0.368	C	S	.	.	H	α-helix	trans	-66.6	-41.4	170	177.6	84.9	0	0	0	112.5	Y888 F896 D897 H899 A904 A905 T1019	Y888-H901 AromaticContact CD1-CE1 3.66Å; F896-H901 HydrophobicContact CE2-CB 3.98Å; F896-H901 AromaticContact CE2-CG 3.93Å; F896-H901 AromaticContact CE2-ND1 3.92Å; F896-H901 HydrophobicContact CZ-CB 3.89Å; F896-H901 AromaticContact CZ-CG 3.87Å; D897-H901 WeakPolarHBondContact O-CB 3.31Å; D897-H901 PolarHBondContact O-N 3.02Å; D897-H901 VanDerWaalsContact O-N 3.08Å; H899-H901 PolarHBondContact O-N 3.5Å; H901-A904 PolarHBondContact O-N 2.84Å; H901-A905 WeakPolarHBondContact O-CB 3.5Å; H901-A905 PolarHBondContact O-N 3.4Å; H901-T1019 WeakPolarHBondContact NE2-CB 3.37Å; H901-T1019 WeakPolarHBondContact NE2-CG2 3.28Å; H901-T1019 PolarHBondContact NE2-OG1 3.01Å
902	I	86.4	Confident	79.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-74.2	-33	179.1	-70.4	-64.7	0	0	0	111.7	L898 H899 A905 G906 H907 I1012 D1015 V1016	L898-I902 HydrophobicContact CD1-CG1 4.4Å; L898-I902 WeakPolarHBondContact O-CB 3.41Å; L898-I902 VanDerWaalsContact O-CG1 3.23Å; L898-I902 WeakPolarHBondContact O-CG1 3.37Å; L898-I902 PolarHBondContact O-N 2.87Å; L898-I902 VanDerWaalsContact O-N 3.16Å; H899-I902 PolarHBondContact O-N 3.19Å; I902-A905 PolarHBondContact O-N 2.92Å; I902-G906 PolarHBondContact O-N 3.29Å; I902-H907 HydrophobicContact CG2-CB 3.81Å; I902-H907 PolarHBondContact O-N 2.93Å; I902-H907 VanDerWaalsContact O-N 3.14Å; I902-I1012 HydrophobicContact CG2-CG1 4.41Å; I902-I1012 HydrophobicContact CG2-CG2 4.24Å; I902-D1015 HydrophobicContact CD1-CB 4.35Å; I902-V1016 HydrophobicContact CD1-CG2 3.59Å; I902-V1016 HydrophobicContact CG1-CG2 3.99Å
903	E	87.4	Confident	81	Confident	95 Å²	95	62.1 Å²	62.1	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-46	167.2	-67	175.4	150.9	0	0	111.7	H899 A905 G906 P909	H899-E903 IonicContact CE1-OE1 3.29Å; H899-E903 PolarHBondContact CE1-OE1 2.84Å; H899-E903 IonicContact ND1-OE1 3.85Å; H899-E903 PolarHBondContact ND1-OE1 3.15Å; H899-E903 IonicContact ND1-OE2 3.52Å; H899-E903 PolarHBondContact O-N 3.43Å; E903-A905 PolarHBondContact O-N 3.3Å; E903-G906 WeakPolarHBondContact O-CA 3.32Å; E903-G906 PolarHBondContact O-N 2.71Å; E903-P909 HydrophobicContact CG-CG 3.76Å
904	A	81.1	Confident	82.7	Confident	63 Å²	63	59 Å²	59	52%	0.521	34%	0.34	S	S	.	.	H	α-helix	trans	-67.5	-18.4	177.5	0	0	0	0	0	113.8	G900 H901 G906	G900-A904 WeakPolarHBondContact O-CB 3.27Å; G900-A904 PolarHBondContact O-N 3.17Å; H901-A904 PolarHBondContact O-N 2.84Å; A904-G906 VanDerWaalsContact C-N 3.32Å
905	A	78.3	Confident	84.5	Confident	41 Å²	41	52 Å²	52	34%	0.339	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.5	168.8	0	0	0	0	0	113.4	H901 I902 E903	H901-A905 WeakPolarHBondContact O-CB 3.5Å; H901-A905 PolarHBondContact O-N 3.4Å; I902-A905 PolarHBondContact O-N 2.92Å; E903-A905 PolarHBondContact O-N 3.3Å
906	G	82.4	Confident	85.9	Confident	63 Å²	63	49 Å²	49	65%	0.649	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	20.7	176	0	0	0	0	0	115.2	I902 E903 A904	I902-G906 PolarHBondContact O-N 3.29Å; E903-G906 WeakPolarHBondContact O-CA 3.32Å; E903-G906 PolarHBondContact O-N 2.71Å; A904-G906 VanDerWaalsContact C-N 3.32Å
907	H	86.8	Confident	86.6	Confident	17 Å²	17	49.4 Å²	49.4	8%	0.079	30%	0.296	C	S	.	.			trans	-98.6	153.4	169.8	-52.9	-68.9	0	0	0	110.8	I902 P909 R1011 I1012 D1015	I902-H907 HydrophobicContact CG2-CB 3.81Å; I902-H907 PolarHBondContact O-N 2.93Å; I902-H907 VanDerWaalsContact O-N 3.14Å; H907-P909 WeakPolarHBondContact O-CD 3.47Å; H907-R1011 PolarHBondContact CE1-NH1 2.93Å; H907-R1011 PolarHBondContact ND1-NH1 2.77Å; H907-R1011 VanDerWaalsContact ND1-NH1 3.11Å; H907-I1012 HydrophobicContact CB-CD1 4.1Å; H907-I1012 HydrophobicContact CB-CG1 3.85Å; H907-D1015 IonicContact CD2-OD2 3.17Å; H907-D1015 IonicContact CE1-OD2 3.31Å; H907-D1015 PolarHBondContact CE1-OD2 3.17Å; H907-D1015 IonicContact NE2-OD2 3.99Å; H907-D1015 PolarHBondContact NE2-OD2 3.16Å
908	N	86	Confident	86.9	Confident	89 Å²	89	49.1 Å²	49.1	48%	0.476	30%	0.296	S	S	.	.			trans	-100.6	104.5	168.7	-175.8	-35.4	0	0	0	108.5	D910 A911	N908-D910 PolarHBondContact OD1-N 3.47Å; N908-A911 HydrophobicContact CB-CB 3.88Å; N908-A911 WeakPolarHBondContact OD1-CB 3.38Å; N908-A911 PolarHBondContact OD1-N 3.44Å
909	P	84.1	Confident	87	Confident	10 Å²	10	53.7 Å²	53.7	7%	0.065	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-39.1	-176.9	25.7	-33.2	0	0	0	112.4	H899 E903 H907 A911 C912 I917	H899-P909 WeakPolarHBondContact CE1-CG 3.41Å; H899-P909 VanDerWaalsContact NE2-CG 3.34Å; H899-P909 WeakPolarHBondContact NE2-CG 3.32Å; E903-P909 HydrophobicContact CG-CG 3.76Å; H907-P909 WeakPolarHBondContact O-CD 3.47Å; P909-A911 PolarHBondContact O-N 3.38Å; P909-C912 PolarHBondContact O-N 3.07Å; P909-I917 HydrophobicContact CB-CB 4.48Å; P909-I917 HydrophobicContact CB-CD1 3.75Å
910	D	83.4	Confident	87	Confident	135 Å²	135	54.3 Å²	54.3	72%	0.722	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-34.6	179.5	-74.1	-41.3	0	0	0	113.1	N908 C912	N908-D910 PolarHBondContact OD1-N 3.47Å; D910-C912 VanDerWaalsContact C-N 3.26Å; D910-C912 PolarHBondContact O-N 3.06Å
911	A	84.3	Confident	87.3	Confident	48 Å²	48	53.9 Å²	53.9	40%	0.397	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.6	175.2	0	0	0	0	0	112.4	N908 P909 F913	N908-A911 HydrophobicContact CB-CB 3.88Å; N908-A911 WeakPolarHBondContact OD1-CB 3.38Å; N908-A911 PolarHBondContact OD1-N 3.44Å; P909-A911 PolarHBondContact O-N 3.38Å; A911-F913 VanDerWaalsContact C-N 3.31Å; A911-F913 PolarHBondContact O-N 2.96Å
912	C	87.6	Confident	87.9	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.007	31%	0.308	C	S	.	.			trans	-86.3	63.4	-171.9	-155.3	0	0	0	0	113.2	P909 D910 H914 L915 E1008 I1012	P909-C912 PolarHBondContact O-N 3.07Å; D910-C912 VanDerWaalsContact C-N 3.26Å; D910-C912 PolarHBondContact O-N 3.06Å; C912-H914 PolarHBondContact O-N 3.35Å; C912-L915 PolarHBondContact O-N 3.39Å; C912-E1008 HydrophobicContact CB-CG 4.18Å; C912-E1008 PolarHBondContact SG-OE2 3.33Å; C912-I1012 HydrophobicContact CB-CD1 3.79Å
913	F	88.9	Confident	88.3	Confident	168 Å²	168	55.1 Å²	55.1	74%	0.737	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-8.6	-179.1	67.2	-94.1	0	0	0	117	A911 L915	A911-F913 VanDerWaalsContact C-N 3.31Å; A911-F913 PolarHBondContact O-N 2.96Å; F913-L915 VanDerWaalsContact C-N 3.32Å
914	H	90.3	Very high	88.8	Confident	61 Å²	61	50.6 Å²	50.6	28%	0.282	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-20.5	171.9	-68.5	99.5	0	0	0	113.8	C912 P1005 A1009	C912-H914 PolarHBondContact O-N 3.35Å; H914-P1005 HydrophobicContact CB-CG 3.72Å; H914-P1005 VanDerWaalsContact CD2-CB 3.5Å; H914-P1005 WeakPolarHBondContact CD2-CB 3.42Å; H914-A1009 HydrophobicContact CB-CB 4.14Å
915	L	94.1	Very high	89.5	Confident	19 Å²	19	50.6 Å²	50.6	10%	0.099	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	159.9	-175.8	-53.8	-176	0	0	0	110.5	C912 F913 I917 R923 A1009 I1012 W1013	C912-L915 PolarHBondContact O-N 3.39Å; F913-L915 VanDerWaalsContact C-N 3.32Å; L915-I917 HydrophobicContact CB-CD1 4.32Å; L915-I917 HydrophobicContact CB-CG1 4.11Å; L915-I917 HydrophobicContact CD1-CD1 4.26Å; L915-R923 CarbonylContact C-O 3.52Å; L915-R923 VanDerWaalsContact CA-O 3.26Å; L915-R923 WeakPolarHBondContact CA-O 3.29Å; L915-A1009 HydrophobicContact CD1-CB 4.32Å; L915-A1009 HydrophobicContact CD2-CB 4.22Å; L915-A1009 HydrophobicContact CG-CB 4.22Å; L915-I1012 HydrophobicContact CD1-CB 3.81Å; L915-I1012 HydrophobicContact CD1-CD1 4.13Å; L915-I1012 HydrophobicContact CD1-CG2 3.54Å; L915-W1013 HydrophobicContact CD2-CZ2 4.32Å
916	A	94.4	Very high	90.4	Very high	43 Å²	43	48.6 Å²	48.6	36%	0.355	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	106.6	165.4	0	0	0	0	0	107.1	R923	A916-R923 HydrophobicContact CB-CB 4.49Å; A916-R923 PolarHBondContact N-O 3.02Å; A916-R923 PolarHBondContact O-N 3.03Å
917	I	92.6	Very high	91.1	Very high	23 Å²	23	47.7 Å²	47.7	12%	0.118	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.3	-174.2	-57.4	167.8	0	0	0	108	P909 L915 C922 I1012	P909-I917 HydrophobicContact CB-CB 4.48Å; P909-I917 HydrophobicContact CB-CD1 3.75Å; L915-I917 HydrophobicContact CB-CD1 4.32Å; L915-I917 HydrophobicContact CB-CG1 4.11Å; L915-I917 HydrophobicContact CD1-CD1 4.26Å; I917-C922 HydrophobicContact CG1-CB 4.46Å; I917-I1012 HydrophobicContact CD1-CG2 3.91Å
918	T	91.6	Very high	91.4	Very high	58 Å²	58	47.9 Å²	47.9	36%	0.356	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	169.2	171	76.8	0	0	0	0	108.9	K920 T921	T918-K920 PolarHBondContact O-N 3.43Å; T918-T921 PolarHBondContact N-O 2.89Å; T918-T921 PolarHBondContact O-N 3.13Å; T918-T921 VanDerWaalsContact O-O 3.1Å; T918-T921 PolarHBondContact OG1-OG1 3.16Å
919	D	89.1	Confident	91.7	Very high	97 Å²	97	45.1 Å²	45.1	52%	0.519	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-21.4	-172	-22.2	-10.1	0	0	0	114.7	D897 L898	D897-D919 VanDerWaalsContact OD1-CA 3.24Å; D897-D919 WeakPolarHBondContact OD1-CA 3.4Å; D897-D919 WeakPolarHBondContact OD1-CB 3.35Å; L898-D919 WeakPolarHBondContact CB-O 3.47Å; L898-D919 PolarHBondContact N-O 2.93Å
920	K	87.6	Confident	91.9	Very high	52 Å²	52	45.5 Å²	45.5	23%	0.226	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-4.7	179.1	-52.7	-66.8	175.7	-178.8	0	114.1	D894 F896 T918 Q945	D894-K920 PolarHBondContact O-NZ 3.03Å; F896-K920 WeakPolarHBondContact O-CE 3.21Å; F896-K920 PolarHBondContact O-NZ 3.35Å; T918-K920 PolarHBondContact O-N 3.43Å; K920-Q945 VanDerWaalsContact O-CB 3.26Å; K920-Q945 WeakPolarHBondContact O-CB 3.4Å; K920-Q945 PolarHBondContact O-N 2.85Å
921	T	92.9	Very high	91.9	Very high	12 Å²	12	40.9 Å²	40.9	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	142.1	-171.3	63.1	0	0	0	0	113.8	T918 R923 F943 D944	T918-T921 PolarHBondContact N-O 2.89Å; T918-T921 PolarHBondContact O-N 3.13Å; T918-T921 VanDerWaalsContact O-O 3.1Å; T918-T921 PolarHBondContact OG1-OG1 3.16Å; T921-R923 PolarHBondContact OG1-NH1 3.29Å; T921-R923 PolarHBondContact OG1-NH2 3.4Å; T921-F943 VanDerWaalsContact CA-O 3.25Å; T921-F943 WeakPolarHBondContact CA-O 3.47Å; T921-F943 WeakPolarHBondContact CB-O 3.33Å; T921-D944 HydrophobicContact CG2-CB 4.45Å
922	C	95.6	Very high	91.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.3	171.3	173.4	0	0	0	0	109.3	L898 I917 F943 V1016	L898-C922 HydrophobicContact CD2-CB 4.15Å; I917-C922 HydrophobicContact CG1-CB 4.46Å; C922-F943 HydrophobicContact CB-CB 4.21Å; C922-F943 PolarHBondContact N-O 2.8Å; C922-F943 PolarHBondContact O-N 2.7Å; C922-V1016 HydrophobicContact CB-CG1 3.98Å; C922-V1016 HydrophobicContact CB-CG2 4.25Å
923	R	96.4	Very high	91.6	Very high	63 Å²	63	54.9 Å²	54.9	24%	0.238	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.6	-177.5	-49.6	-173.8	173.4	64.6	9.3	111.6	L915 A916 T921 W940 F941 V942 E958	L915-R923 CarbonylContact C-O 3.52Å; L915-R923 VanDerWaalsContact CA-O 3.26Å; L915-R923 WeakPolarHBondContact CA-O 3.29Å; A916-R923 HydrophobicContact CB-CB 4.49Å; A916-R923 PolarHBondContact N-O 3.02Å; A916-R923 PolarHBondContact O-N 3.03Å; T921-R923 PolarHBondContact OG1-NH1 3.29Å; T921-R923 PolarHBondContact OG1-NH2 3.4Å; R923-W940 HydrophobicContact CB-CH2 4.02Å; R923-W940 HydrophobicContact CB-CZ2 3.38Å; R923-W940 HydrophobicContact CG-CZ2 4.34Å; R923-F941 VanDerWaalsContact CA-O 3.29Å; R923-F941 WeakPolarHBondContact CA-O 3.47Å; R923-V942 HydrophobicContact CB-CG2 4.38Å; R923-V942 HydrophobicContact CG-CB 4.37Å; R923-V942 HydrophobicContact CG-CG1 4.11Å; R923-V942 HydrophobicContact CG-CG2 3.92Å; R923-E958 WeakPolarHBondContact CD-OE1 3.34Å; R923-E958 IonicContact NE-OE1 3.38Å; R923-E958 PolarHBondContact NE-OE1 3.31Å
924	G	96.9	Very high	91.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.5	174.8	179	0	0	0	0	0	113.1	W940 F941	G924-W940 VanDerWaalsContact C-CE3 3.46Å; G924-W940 VanDerWaalsContact CA-CZ3 3.49Å; G924-F941 PolarHBondContact N-O 3.02Å; G924-F941 PolarHBondContact O-N 3Å
925	F	97	Very high	91.5	Very high	62 Å²	62	53.2 Å²	53.2	27%	0.272	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.3	173.5	-76.4	-72.2	0	0	0	111.9	K938 R939 W940 K956	F925-K938 VanDerWaalsContact CB-CE 3.49Å; F925-K938 HydrophobicContact CB-CG 4.29Å; F925-K938 HydrophobicContact CD1-CD 4.19Å; F925-K938 HydrophobicContact CD1-CG 3.79Å; F925-K938 HydrophobicContact CG-CD 4.41Å; F925-K938 HydrophobicContact CG-CG 4.31Å; F925-R939 WeakPolarHBondContact CA-O 3.27Å; F925-W940 HydrophobicContact CD1-CB 4.31Å; F925-W940 HydrophobicContact CD1-CE3 4.07Å; F925-W940 AromaticContact CD2-CE3 3.7Å; F925-W940 HydrophobicContact CD2-CE3 3.7Å; F925-W940 AromaticContact CD2-CZ3 3.84Å; F925-W940 HydrophobicContact CD2-CZ3 3.84Å; F925-W940 HydrophobicContact CE1-CB 4.02Å; F925-W940 HydrophobicContact CE1-CE3 4.05Å; F925-W940 AromaticContact CE2-CE3 3.67Å; F925-W940 HydrophobicContact CE2-CE3 3.67Å; F925-W940 AromaticContact CE2-CZ3 3.89Å; F925-W940 HydrophobicContact CE2-CZ3 3.89Å; F925-W940 AromaticContact CG-CE3 3.91Å; F925-W940 HydrophobicContact CG-CE3 3.91Å; F925-W940 HydrophobicContact CG-CZ3 4.4Å; F925-W940 AromaticContact CZ-CE3 3.85Å; F925-W940 HydrophobicContact CZ-CE3 3.85Å; F925-W940 HydrophobicContact CZ-CZ3 4.49Å; F925-K956 HydrophobicContact CE2-CB 4.44Å; F925-K956 HydrophobicContact CZ-CB 4.04Å
926	L	96.9	Very high	91.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.8	165.5	-65.5	174.4	0	0	0	110.1	K938 R939 F941 F991 M1002 A1004 W1013	L926-K938 WeakPolarHBondContact O-CA 3.3Å; L926-R939 PolarHBondContact N-O 3.45Å; L926-R939 PolarHBondContact O-N 3.04Å; L926-F941 HydrophobicContact CB-CD2 3.65Å; L926-F941 HydrophobicContact CB-CE2 3.71Å; L926-F941 HydrophobicContact CB-CG 4.42Å; L926-F941 HydrophobicContact CD1-CB 4.41Å; L926-F941 HydrophobicContact CD1-CD1 4.42Å; L926-F941 HydrophobicContact CD1-CD2 4.13Å; L926-F941 HydrophobicContact CD1-CE2 4.4Å; L926-F941 HydrophobicContact CD1-CG 4.1Å; L926-F941 HydrophobicContact CG-CD2 4.21Å; L926-F991 HydrophobicContact CD1-CE1 4.34Å; L926-F991 HydrophobicContact CD1-CZ 3.84Å; L926-F991 HydrophobicContact CD2-CE1 4.07Å; L926-F991 HydrophobicContact CD2-CZ 4.38Å; L926-M1002 HydrophobicContact CD1-CB 4.35Å; L926-M1002 HydrophobicContact CD1-SD 3.67Å; L926-A1004 HydrophobicContact CD2-CB 4.19Å; L926-W1013 HydrophobicContact CD1-CD2 3.88Å; L926-W1013 HydrophobicContact CD1-CE3 4.39Å; L926-W1013 HydrophobicContact CD1-CG 4.08Å; L926-W1013 HydrophobicContact CD1-CZ2 4.35Å; L926-W1013 HydrophobicContact CD2-CG 4.15Å; L926-W1013 HydrophobicContact CG-CD2 4.39Å; L926-W1013 HydrophobicContact CG-CG 4.45Å; L926-W1013 HydrophobicContact CG-CZ2 4.42Å
927	V	95.8	Very high	91.4	Very high	43 Å²	43	57.9 Å²	57.9	26%	0.261	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	105.4	172.9	-173	0	0	0	0	108.4	W936 K938 V1003	V927-W936 HydrophobicContact CG1-CB 3.92Å; V927-W936 HydrophobicContact CG1-CE3 4.41Å; V927-K938 HydrophobicContact CG2-CB 4.11Å; V927-K938 HydrophobicContact CG2-CG 4.31Å; V927-V1003 HydrophobicContact CB-CB 4.19Å; V927-V1003 HydrophobicContact CB-CG2 4.45Å; V927-V1003 PolarHBondContact N-O 3.03Å; V927-V1003 WeakPolarHBondContact O-CG2 3.45Å; V927-V1003 PolarHBondContact O-N 3.12Å
928	K	94.2	Very high	91.5	Very high	21 Å²	21	62.7 Å²	62.7	9%	0.091	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	149.2	-177.5	81.3	-179	-155.6	-60.5	0	112.8	W936 K937 F941 Y952 Y1001 M1002	K928-W936 WeakPolarHBondContact O-CA 3.26Å; K928-K937 PolarHBondContact N-O 3.5Å; K928-K937 PolarHBondContact O-N 3.19Å; K928-F941 HydrophobicContact CB-CE2 4.33Å; K928-F941 HydrophobicContact CB-CZ 4.11Å; K928-F941 HydrophobicContact CD-CE2 4.05Å; K928-F941 HydrophobicContact CD-CZ 3.54Å; K928-F941 HydrophobicContact CG-CE2 4.48Å; K928-F941 HydrophobicContact CG-CZ 4.29Å; K928-Y952 HydrophobicContact CD-CD2 4.4Å; K928-Y952 HydrophobicContact CD-CE1 4.48Å; K928-Y952 HydrophobicContact CD-CE2 4.3Å; K928-Y952 VanDerWaalsContact CE-CE2 3.43Å; K928-Y952 VanDerWaalsContact CE-CZ 3.46Å; K928-Y952 VanDerWaalsContact NZ-CE2 3.29Å; K928-Y1001 VanDerWaalsContact CA-O 3.3Å; K928-Y1001 WeakPolarHBondContact CA-O 3.49Å; K928-M1002 HydrophobicContact CB-CG 4.15Å
929	M	91.8	Very high	91.8	Very high	31 Å²	31	62.7 Å²	62.7	15%	0.153	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.4	170	-175.1	160.6	48.6	0	0	111.1	K934 W936 Y1001	M929-K934 HydrophobicContact CG-CB 4.17Å; M929-K934 HydrophobicContact CG-CD 4.18Å; M929-K934 HydrophobicContact SD-CB 3.81Å; M929-K934 HydrophobicContact SD-CD 3.94Å; M929-K934 HydrophobicContact SD-CG 4.22Å; M929-W936 HydrophobicContact CB-CD2 4.03Å; M929-W936 HydrophobicContact CB-CE3 3.9Å; M929-W936 HydrophobicContact CB-CH2 3.85Å; M929-W936 HydrophobicContact CB-CZ2 3.95Å; M929-W936 HydrophobicContact CB-CZ3 3.81Å; M929-W936 HydrophobicContact CE-CZ2 4.35Å; M929-W936 HydrophobicContact CG-CZ2 4.4Å; M929-W936 VanDerWaalsContact N-CE3 3.32Å; M929-W936 HydrophobicContact SD-CZ2 4.04Å; M929-Y1001 HydrophobicContact CE-CD2 3.25Å; M929-Y1001 HydrophobicContact CE-CE2 3.9Å; M929-Y1001 HydrophobicContact CE-CG 3.7Å; M929-Y1001 PolarHBondContact N-O 3.45Å
930	G	88.3	Confident	92.2	Very high	18 Å²	18	58.6 Å²	58.6	19%	0.186	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-76.3	147.1	174.2	0	0	0	0	0	113.3	I933 K934 T935	G930-I933 CarbonylContact C-O 3.48Å; G930-I933 VanDerWaalsContact C-O 3.25Å; G930-I933 WeakPolarHBondContact CA-O 3.18Å; G930-K934 VanDerWaalsContact O-CD 3.31Å; G930-K934 WeakPolarHBondContact O-CD 3.44Å; G930-T935 PolarHBondContact N-O 2.99Å
931	G	83.2	Confident	92.7	Very high	38 Å²	38	56.1 Å²	56.1	39%	0.392	27%	0.27	S	S	.	.	S	Bend	trans	-68.3	-69.3	-177.9	0	0	0	0	0	113.5	K934	G931-K934 PolarHBondContact O-NZ 3.37Å
932	K	82.4	Confident	92.9	Very high	218 Å²	218	55.6 Å²	55.6	95%	0.948	27%	0.267	S	S	*	.	S	Bend	trans	-70.9	-42.5	-179.8	-64.4	-171.1	177.9	-172.8	0	112.8
933	I	83.6	Confident	92.8	Very high	125 Å²	125	55.6 Å²	55.6	64%	0.641	27%	0.267	S	S	*	.	S	Bend	trans	-114.8	121.8	175.8	-50.3	176.7	0	0	0	107	G930 T935	G930-I933 CarbonylContact C-O 3.48Å; G930-I933 VanDerWaalsContact C-O 3.25Å; G930-I933 WeakPolarHBondContact CA-O 3.18Å; I933-T935 HydrophobicContact CG2-CG2 3.91Å; I933-T935 PolarHBondContact O-N 2.94Å
934	K	88	Confident	92.6	Very high	135 Å²	135	53.7 Å²	53.7	59%	0.587	26%	0.261	S	S	*	.			trans	-74.6	29.7	-173.6	-56.5	-49.8	-168.9	-171.3	0	114.6	M929 G930 G931	M929-K934 HydrophobicContact CG-CB 4.17Å; M929-K934 HydrophobicContact CG-CD 4.18Å; M929-K934 HydrophobicContact SD-CB 3.81Å; M929-K934 HydrophobicContact SD-CD 3.94Å; M929-K934 HydrophobicContact SD-CG 4.22Å; G930-K934 VanDerWaalsContact O-CD 3.31Å; G930-K934 WeakPolarHBondContact O-CD 3.44Å; G931-K934 PolarHBondContact O-NZ 3.37Å
935	T	89.4	Confident	92.2	Very high	59 Å²	59	55.7 Å²	55.7	36%	0.362	27%	0.271	S	S	.	.			trans	-71.8	132.2	171.7	51.8	0	0	0	0	110.9	G930 I933 K937	G930-T935 PolarHBondContact N-O 2.99Å; I933-T935 HydrophobicContact CG2-CG2 3.91Å; I933-T935 PolarHBondContact O-N 2.94Å; T935-K937 VanDerWaalsContact OG1-CE 3.29Å; T935-K937 WeakPolarHBondContact OG1-CE 3.47Å
936	W	92.5	Very high	91.6	Very high	55 Å²	55	58.2 Å²	58.2	21%	0.208	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	134.2	167.7	-63.9	95.3	0	0	0	110.9	V927 K928 M929 K983 P985 V1003	V927-W936 HydrophobicContact CG1-CB 3.92Å; V927-W936 HydrophobicContact CG1-CE3 4.41Å; K928-W936 WeakPolarHBondContact O-CA 3.26Å; M929-W936 HydrophobicContact CB-CD2 4.03Å; M929-W936 HydrophobicContact CB-CE3 3.9Å; M929-W936 HydrophobicContact CB-CH2 3.85Å; M929-W936 HydrophobicContact CB-CZ2 3.95Å; M929-W936 HydrophobicContact CB-CZ3 3.81Å; M929-W936 HydrophobicContact CE-CZ2 4.35Å; M929-W936 HydrophobicContact CG-CZ2 4.4Å; M929-W936 VanDerWaalsContact N-CE3 3.32Å; M929-W936 HydrophobicContact SD-CZ2 4.04Å; W936-K983 PolarHBondContact NE1-O 3.34Å; W936-P985 HydrophobicContact CB-CG 4.06Å; W936-P985 HydrophobicContact CD2-CG 4.22Å; W936-P985 HydrophobicContact CG-CG 3.85Å; W936-V1003 HydrophobicContact CE3-CG2 3.92Å; W936-V1003 HydrophobicContact CH2-CG2 4.27Å; W936-V1003 HydrophobicContact CZ3-CG2 3.58Å
937	K	93.7	Very high	91.2	Very high	106 Å²	106	64.5 Å²	64.5	46%	0.461	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	119.3	-179.2	-66.4	-173.8	174.8	172.8	0	111	K928 T935 R939	K928-K937 PolarHBondContact N-O 3.5Å; K928-K937 PolarHBondContact O-N 3.19Å; T935-K937 VanDerWaalsContact OG1-CE 3.29Å; T935-K937 WeakPolarHBondContact OG1-CE 3.47Å; K937-R939 PolarHBondContact O-N 3.25Å
938	K	95.5	Very high	90.8	Very high	124 Å²	124	68.1 Å²	68.1	54%	0.539	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	130.4	169.6	-169.6	171.6	-178.6	175.7	0	109.4	F925 L926 V927	F925-K938 VanDerWaalsContact CB-CE 3.49Å; F925-K938 HydrophobicContact CB-CG 4.29Å; F925-K938 HydrophobicContact CD1-CD 4.19Å; F925-K938 HydrophobicContact CD1-CG 3.79Å; F925-K938 HydrophobicContact CG-CD 4.41Å; F925-K938 HydrophobicContact CG-CG 4.31Å; L926-K938 WeakPolarHBondContact O-CA 3.3Å; V927-K938 HydrophobicContact CG2-CB 4.11Å; V927-K938 HydrophobicContact CG2-CG 4.31Å
939	R	97	Very high	90.8	Very high	57 Å²	57	67.2 Å²	67.2	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147.2	178.6	-70.6	-69.7	168.8	-111	18.7	108.8	F925 L926 K937 F941 Y952 Y953 A954	F925-R939 WeakPolarHBondContact CA-O 3.27Å; L926-R939 PolarHBondContact N-O 3.45Å; L926-R939 PolarHBondContact O-N 3.04Å; K937-R939 PolarHBondContact O-N 3.25Å; R939-F941 HydrophobicContact CB-CD2 4.1Å; R939-F941 HydrophobicContact CB-CE2 3.91Å; R939-Y952 HydrophobicContact CB-CD2 4.37Å; R939-Y952 HydrophobicContact CG-CD2 4.13Å; R939-Y953 WeakPolarHBondContact CB-O 3.49Å; R939-Y953 WeakPolarHBondContact CD-O 3.5Å; R939-A954 PolarHBondContact NH1-O 2.87Å
940	W	97.3	Very high	90.9	Very high	11 Å²	11	65.8 Å²	65.8	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	121.1	168.1	-175.7	-110.9	0	0	0	107.3	R923 G924 F925 Y952 Y953 D955 K956 E958	R923-W940 HydrophobicContact CB-CH2 4.02Å; R923-W940 HydrophobicContact CB-CZ2 3.38Å; R923-W940 HydrophobicContact CG-CZ2 4.34Å; G924-W940 VanDerWaalsContact C-CE3 3.46Å; G924-W940 VanDerWaalsContact CA-CZ3 3.49Å; F925-W940 HydrophobicContact CD1-CB 4.31Å; F925-W940 HydrophobicContact CD1-CE3 4.07Å; F925-W940 AromaticContact CD2-CE3 3.7Å; F925-W940 HydrophobicContact CD2-CE3 3.7Å; F925-W940 AromaticContact CD2-CZ3 3.84Å; F925-W940 HydrophobicContact CD2-CZ3 3.84Å; F925-W940 HydrophobicContact CE1-CB 4.02Å; F925-W940 HydrophobicContact CE1-CE3 4.05Å; F925-W940 AromaticContact CE2-CE3 3.67Å; F925-W940 HydrophobicContact CE2-CE3 3.67Å; F925-W940 AromaticContact CE2-CZ3 3.89Å; F925-W940 HydrophobicContact CE2-CZ3 3.89Å; F925-W940 AromaticContact CG-CE3 3.91Å; F925-W940 HydrophobicContact CG-CE3 3.91Å; F925-W940 HydrophobicContact CG-CZ3 4.4Å; F925-W940 AromaticContact CZ-CE3 3.85Å; F925-W940 HydrophobicContact CZ-CE3 3.85Å; F925-W940 HydrophobicContact CZ-CZ3 4.49Å; W940-Y952 CarbonylContact O-C 3.53Å; W940-Y952 VanDerWaalsContact O-CA 3.26Å; W940-Y952 WeakPolarHBondContact O-CA 3.41Å; W940-Y953 PolarHBondContact N-O 3.12Å; W940-Y953 PolarHBondContact O-N 3.32Å; W940-D955 VanDerWaalsContact CB-O 3.23Å; W940-D955 WeakPolarHBondContact CB-O 3.31Å; W940-K956 HydrophobicContact CD2-CB 4.01Å; W940-K956 HydrophobicContact CD2-CG 4.1Å; W940-K956 HydrophobicContact CE3-CB 4.07Å; W940-K956 HydrophobicContact CE3-CD 4.48Å; W940-K956 HydrophobicContact CE3-CG 4.18Å; W940-K956 HydrophobicContact CG-CB 4.42Å; W940-K956 HydrophobicContact CH2-CD 3.77Å; W940-K956 HydrophobicContact CH2-CG 3.92Å; W940-K956 HydrophobicContact CZ2-CD 4.09Å; W940-K956 HydrophobicContact CZ2-CG 3.77Å; W940-K956 HydrophobicContact CZ3-CB 4.42Å; W940-K956 HydrophobicContact CZ3-CD 3.96Å; W940-K956 HydrophobicContact CZ3-CG 4.11Å; W940-E958 PolarHBondContact NE1-OE1 2.8Å
941	F	97.8	Very high	91.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145.7	175.9	-83.7	-104.8	0	0	0	109.3	R923 G924 L926 K928 R939 L950 T951 Y952 M1002 W1013	R923-F941 VanDerWaalsContact CA-O 3.29Å; R923-F941 WeakPolarHBondContact CA-O 3.47Å; G924-F941 PolarHBondContact N-O 3.02Å; G924-F941 PolarHBondContact O-N 3Å; L926-F941 HydrophobicContact CB-CD2 3.65Å; L926-F941 HydrophobicContact CB-CE2 3.71Å; L926-F941 HydrophobicContact CB-CG 4.42Å; L926-F941 HydrophobicContact CD1-CB 4.41Å; L926-F941 HydrophobicContact CD1-CD1 4.42Å; L926-F941 HydrophobicContact CD1-CD2 4.13Å; L926-F941 HydrophobicContact CD1-CE2 4.4Å; L926-F941 HydrophobicContact CD1-CG 4.1Å; L926-F941 HydrophobicContact CG-CD2 4.21Å; K928-F941 HydrophobicContact CB-CE2 4.33Å; K928-F941 HydrophobicContact CB-CZ 4.11Å; K928-F941 HydrophobicContact CD-CE2 4.05Å; K928-F941 HydrophobicContact CD-CZ 3.54Å; K928-F941 HydrophobicContact CG-CE2 4.48Å; K928-F941 HydrophobicContact CG-CZ 4.29Å; R939-F941 HydrophobicContact CB-CD2 4.1Å; R939-F941 HydrophobicContact CB-CE2 3.91Å; F941-L950 HydrophobicContact CB-CD1 4.37Å; F941-L950 HydrophobicContact CD1-CD1 3.83Å; F941-L950 HydrophobicContact CD1-CD2 4.27Å; F941-L950 HydrophobicContact CD1-CG 3.9Å; F941-L950 HydrophobicContact CE1-CD2 4.41Å; F941-L950 HydrophobicContact CE1-CG 4.37Å; F941-T951 WeakPolarHBondContact CA-O 3.13Å; F941-Y952 AromaticContact CE1-CD1 3.92Å; F941-Y952 HydrophobicContact CE1-CD1 3.92Å; F941-Y952 HydrophobicContact CE1-CG 4.13Å; F941-Y952 HydrophobicContact CZ-CD1 4.22Å; F941-Y952 HydrophobicContact CZ-CG 4.16Å; F941-M1002 HydrophobicContact CD1-SD 4.39Å; F941-M1002 HydrophobicContact CE1-CE 3.8Å; F941-M1002 HydrophobicContact CE1-SD 3.59Å; F941-M1002 VanDerWaalsContact CE1-SD 3.59Å; F941-M1002 HydrophobicContact CE2-SD 4.36Å; F941-M1002 HydrophobicContact CZ-CE 4.11Å; F941-M1002 HydrophobicContact CZ-SD 3.54Å; F941-M1002 VanDerWaalsContact CZ-SD 3.54Å; F941-W1013 HydrophobicContact CB-CH2 3.58Å; F941-W1013 HydrophobicContact CB-CZ2 3.84Å; F941-W1013 HydrophobicContact CB-CZ3 4.34Å
942	V	96.6	Very high	92	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	107.3	178.5	177.5	0	0	0	0	107.2	R923 L950 T951 Y953 E958	R923-V942 HydrophobicContact CB-CG2 4.38Å; R923-V942 HydrophobicContact CG-CB 4.37Å; R923-V942 HydrophobicContact CG-CG1 4.11Å; R923-V942 HydrophobicContact CG-CG2 3.92Å; V942-L950 CarbonylContact O-C 3.57Å; V942-L950 WeakPolarHBondContact O-CA 3.49Å; V942-T951 PolarHBondContact N-O 3.46Å; V942-T951 PolarHBondContact O-N 3.31Å; V942-Y953 HydrophobicContact CB-CE2 3.99Å; V942-Y953 HydrophobicContact CG2-CD2 3.92Å; V942-Y953 HydrophobicContact CG2-CE2 3.57Å; V942-E958 HydrophobicContact CG2-CG 4.44Å; V942-E958 VanDerWaalsContact CG2-OE1 3.3Å; V942-E958 WeakPolarHBondContact CG2-OE1 3.43Å
943	F	95.3	Very high	92.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.6	160.2	177.3	-84.9	0	0	0	108.3	L898 T921 C922 Q945 L950 F967 W1013 V1016 I1017	L898-F943 HydrophobicContact CD1-CE1 4.22Å; L898-F943 HydrophobicContact CD2-CD1 3.89Å; L898-F943 HydrophobicContact CD2-CE1 3.88Å; T921-F943 VanDerWaalsContact CA-O 3.25Å; T921-F943 WeakPolarHBondContact CA-O 3.47Å; T921-F943 WeakPolarHBondContact CB-O 3.33Å; C922-F943 HydrophobicContact CB-CB 4.21Å; C922-F943 PolarHBondContact N-O 2.8Å; C922-F943 PolarHBondContact O-N 2.7Å; F943-Q945 HydrophobicContact CE1-CB 4.08Å; F943-L950 HydrophobicContact CB-CD1 4.17Å; F943-F967 HydrophobicContact CD1-CZ 4.32Å; F943-F967 AromaticContact CD2-CE1 3.59Å; F943-F967 HydrophobicContact CD2-CE1 3.59Å; F943-F967 HydrophobicContact CD2-CE2 4.41Å; F943-F967 AromaticContact CD2-CZ 3.38Å; F943-F967 HydrophobicContact CD2-CZ 3.38Å; F943-F967 HydrophobicContact CE1-CE2 4.42Å; F943-F967 HydrophobicContact CE1-CZ 4.06Å; F943-F967 HydrophobicContact CE2-CD1 4.48Å; F943-F967 AromaticContact CE2-CE1 3.51Å; F943-F967 HydrophobicContact CE2-CE1 3.51Å; F943-F967 AromaticContact CE2-CE2 3.69Å; F943-F967 HydrophobicContact CE2-CE2 3.69Å; F943-F967 AromaticContact CE2-CZ 3.06Å; F943-F967 HydrophobicContact CE2-CZ 3.06Å; F943-F967 HydrophobicContact CG-CE1 4.49Å; F943-F967 HydrophobicContact CG-CZ 4.02Å; F943-F967 HydrophobicContact CZ-CE1 4.32Å; F943-F967 AromaticContact CZ-CE2 3.7Å; F943-F967 HydrophobicContact CZ-CE2 3.7Å; F943-F967 AromaticContact CZ-CZ 3.44Å; F943-F967 HydrophobicContact CZ-CZ 3.44Å; F943-F967 VanDerWaalsContact CZ-CZ 3.44Å; F943-W1013 HydrophobicContact CB-CZ3 4.03Å; F943-V1016 HydrophobicContact CB-CG1 3.8Å; F943-V1016 HydrophobicContact CD1-CG1 3.55Å; F943-V1016 HydrophobicContact CD2-CG1 3.39Å; F943-V1016 HydrophobicContact CE1-CG1 3.86Å; F943-V1016 HydrophobicContact CE2-CG1 3.69Å; F943-V1016 WeakPolarHBondContact CE2-O 3.34Å; F943-V1016 HydrophobicContact CG-CG1 3.3Å; F943-V1016 HydrophobicContact CZ-CG1 3.92Å; F943-V1016 VanDerWaalsContact CZ-O 3.32Å; F943-V1016 WeakPolarHBondContact CZ-O 3.31Å; F943-I1017 HydrophobicContact CD2-CG1 4.46Å
944	D	92.3	Very high	93.2	Very high	22 Å²	22	50 Å²	50	12%	0.118	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	109.1	-179.9	-173.7	-37.6	0	0	0	109	T921 N946 R947 R948 T949 F967	T921-D944 HydrophobicContact CG2-CB 4.45Å; D944-N946 PolarHBondContact OD1-N 3.26Å; D944-N946 VanDerWaalsContact OD1-N 3.08Å; D944-R947 HydrophobicContact CB-CB 4.17Å; D944-R947 PolarHBondContact OD1-N 3.02Å; D944-R947 WeakPolarHBondContact OD2-CD 3.42Å; D944-R947 WeakPolarHBondContact OD2-CG 3.45Å; D944-R948 WeakPolarHBondContact O-CA 3.45Å; D944-R948 PolarHBondContact O-N 3.44Å; D944-T949 PolarHBondContact N-O 3.16Å; D944-T949 PolarHBondContact O-N 3.32Å; D944-F967 WeakPolarHBondContact O-CZ 3.4Å
945	Q	86.6	Confident	93.4	Very high	42 Å²	42	46 Å²	46	20%	0.196	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-40.1	-178.1	-174.7	67.4	-12.6	0	0	111.5	F896 K920 F943 R948	F896-Q945 HydrophobicContact CD1-CG 4.04Å; F896-Q945 HydrophobicContact CE1-CG 4.31Å; K920-Q945 VanDerWaalsContact O-CB 3.26Å; K920-Q945 WeakPolarHBondContact O-CB 3.4Å; K920-Q945 PolarHBondContact O-N 2.85Å; F943-Q945 HydrophobicContact CE1-CB 4.08Å; Q945-R948 WeakPolarHBondContact O-CG 3.5Å; Q945-R948 PolarHBondContact O-N 2.88Å
946	N	85.8	Confident	93.6	Very high	115 Å²	115	49.1 Å²	49.1	62%	0.615	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-41.3	-177.7	-64.4	-13.4	0	0	0	111.1	D944 R948	D944-N946 PolarHBondContact OD1-N 3.26Å; D944-N946 VanDerWaalsContact OD1-N 3.08Å; N946-R948 VanDerWaalsContact C-N 3.34Å
947	R	87.5	Confident	93.4	Very high	132 Å²	132	53.3 Å²	53.3	50%	0.498	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.8	176.5	-63.7	179.7	62	-134.6	-3.9	113.4	D944 T949	D944-R947 HydrophobicContact CB-CB 4.17Å; D944-R947 PolarHBondContact OD1-N 3.02Å; D944-R947 WeakPolarHBondContact OD2-CD 3.42Å; D944-R947 WeakPolarHBondContact OD2-CG 3.45Å; R947-T949 VanDerWaalsContact C-N 3.32Å; R947-T949 PolarHBondContact O-N 3.41Å
948	R	88.3	Confident	93.3	Very high	120 Å²	120	50.9 Å²	50.9	45%	0.453	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	45.2	-172.4	-62.6	-176.4	175.9	-128.2	5.8	113.5	D944 Q945 N946 F967 G1023	D944-R948 WeakPolarHBondContact O-CA 3.45Å; D944-R948 PolarHBondContact O-N 3.44Å; Q945-R948 WeakPolarHBondContact O-CG 3.5Å; Q945-R948 PolarHBondContact O-N 2.88Å; N946-R948 VanDerWaalsContact C-N 3.34Å; R948-F967 VanDerWaalsContact CA-CD2 3.44Å; R948-F967 VanDerWaalsContact CA-CE2 3.45Å; R948-F967 HydrophobicContact CB-CD2 3.73Å; R948-F967 HydrophobicContact CB-CE2 4.2Å; R948-F967 HydrophobicContact CB-CG 4.28Å; R948-F967 HydrophobicContact CG-CD2 4.22Å; R948-F967 WeakPolarHBondContact O-CG 3.44Å; R948-F967 PolarHBondContact O-N 3.06Å; R948-G1023 PolarHBondContact NH1-O 3.45Å
949	T	93	Very high	92.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.3	-177.6	58.9	0	0	0	0	114.3	D944 R947 T951 V964 I965 Y966	D944-T949 PolarHBondContact N-O 3.16Å; D944-T949 PolarHBondContact O-N 3.32Å; R947-T949 VanDerWaalsContact C-N 3.32Å; R947-T949 PolarHBondContact O-N 3.41Å; T949-T951 PolarHBondContact OG1-OG1 2.98Å; T949-V964 HydrophobicContact CG2-CG1 3.49Å; T949-V964 VanDerWaalsContact CG2-CG1 3.49Å; T949-I965 WeakPolarHBondContact CA-O 3.5Å; T949-Y966 HydrophobicContact CG2-CD1 3.6Å; T949-Y966 HydrophobicContact CG2-CE1 3.83Å; T949-Y966 HydrophobicContact CG2-CG 4.48Å
950	L	95.6	Very high	92.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	92.6	160.2	177.9	66.3	0	0	0	108	F941 V942 F943 I965 F967 M1002 W1013 I1017	F941-L950 HydrophobicContact CB-CD1 4.37Å; F941-L950 HydrophobicContact CD1-CD1 3.83Å; F941-L950 HydrophobicContact CD1-CD2 4.27Å; F941-L950 HydrophobicContact CD1-CG 3.9Å; F941-L950 HydrophobicContact CE1-CD2 4.41Å; F941-L950 HydrophobicContact CE1-CG 4.37Å; V942-L950 CarbonylContact O-C 3.57Å; V942-L950 WeakPolarHBondContact O-CA 3.49Å; F943-L950 HydrophobicContact CB-CD1 4.17Å; L950-I965 HydrophobicContact CB-CB 4.2Å; L950-I965 HydrophobicContact CD2-CD1 4.13Å; L950-I965 PolarHBondContact N-O 3.45Å; L950-I965 WeakPolarHBondContact O-CB 3.43Å; L950-I965 PolarHBondContact O-N 3.08Å; L950-F967 HydrophobicContact CB-CE1 4.22Å; L950-M1002 HydrophobicContact CD2-CE 4.17Å; L950-W1013 HydrophobicContact CD1-CE3 4.44Å; L950-W1013 HydrophobicContact CD1-CH2 4.29Å; L950-W1013 HydrophobicContact CD1-CZ3 3.64Å; L950-I1017 HydrophobicContact CD1-CD1 4.48Å; L950-I1017 HydrophobicContact CD2-CD1 3.57Å; L950-I1017 HydrophobicContact CD2-CG1 3.97Å; L950-I1017 HydrophobicContact CD2-CG2 4.48Å
951	T	96.6	Very high	92.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	149	-179.9	-61.4	0	0	0	0	110.3	F941 V942 T949 Y953 M961 V964	F941-T951 WeakPolarHBondContact CA-O 3.13Å; V942-T951 PolarHBondContact N-O 3.46Å; V942-T951 PolarHBondContact O-N 3.31Å; T949-T951 PolarHBondContact OG1-OG1 2.98Å; T951-Y953 HydrophobicContact CG2-CD2 4.33Å; T951-Y953 HydrophobicContact CG2-CE1 4.08Å; T951-Y953 HydrophobicContact CG2-CE2 3.67Å; T951-M961 HydrophobicContact CG2-CG 3.87Å; T951-M961 HydrophobicContact CG2-SD 3.66Å; T951-V964 HydrophobicContact CG2-CG2 4.24Å
952	Y	96.9	Very high	92.3	Very high	17 Å²	17	64.4 Å²	64.4	7%	0.067	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141.6	172.7	66.2	-92.4	0	0	0	114.6	K928 R939 W940 F941 K962 G963 Y1000	K928-Y952 HydrophobicContact CD-CD2 4.4Å; K928-Y952 HydrophobicContact CD-CE1 4.48Å; K928-Y952 HydrophobicContact CD-CE2 4.3Å; K928-Y952 VanDerWaalsContact CE-CE2 3.43Å; K928-Y952 VanDerWaalsContact CE-CZ 3.46Å; K928-Y952 VanDerWaalsContact NZ-CE2 3.29Å; R939-Y952 HydrophobicContact CB-CD2 4.37Å; R939-Y952 HydrophobicContact CG-CD2 4.13Å; W940-Y952 CarbonylContact O-C 3.53Å; W940-Y952 VanDerWaalsContact O-CA 3.26Å; W940-Y952 WeakPolarHBondContact O-CA 3.41Å; F941-Y952 AromaticContact CE1-CD1 3.92Å; F941-Y952 HydrophobicContact CE1-CD1 3.92Å; F941-Y952 HydrophobicContact CE1-CG 4.13Å; F941-Y952 HydrophobicContact CZ-CD1 4.22Å; F941-Y952 HydrophobicContact CZ-CG 4.16Å; Y952-K962 HydrophobicContact CD2-CB 3.76Å; Y952-K962 HydrophobicContact CE2-CB 3.58Å; Y952-K962 VanDerWaalsContact CE2-O 3.31Å; Y952-K962 WeakPolarHBondContact CE2-O 3.43Å; Y952-K962 WeakPolarHBondContact O-CA 3.41Å; Y952-K962 PolarHBondContact O-N 3.29Å; Y952-K962 PolarHBondContact OH-O 2.89Å; Y952-G963 PolarHBondContact N-O 2.94Å; Y952-G963 PolarHBondContact O-N 3.43Å; Y952-Y1000 HydrophobicContact CE1-CE1 4.47Å
953	Y	97	Very high	92.1	Very high	25 Å²	25	65.3 Å²	65.3	10%	0.098	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	163.5	-170.1	-56.9	-87.8	0	0	0	111.4	R939 W940 V942 T951 D955 E958 M961	R939-Y953 WeakPolarHBondContact CB-O 3.49Å; R939-Y953 WeakPolarHBondContact CD-O 3.5Å; W940-Y953 PolarHBondContact N-O 3.12Å; W940-Y953 PolarHBondContact O-N 3.32Å; V942-Y953 HydrophobicContact CB-CE2 3.99Å; V942-Y953 HydrophobicContact CG2-CD2 3.92Å; V942-Y953 HydrophobicContact CG2-CE2 3.57Å; T951-Y953 HydrophobicContact CG2-CD2 4.33Å; T951-Y953 HydrophobicContact CG2-CE1 4.08Å; T951-Y953 HydrophobicContact CG2-CE2 3.67Å; Y953-D955 VanDerWaalsContact C-N 3.3Å; Y953-D955 PolarHBondContact O-N 2.98Å; Y953-E958 HydrophobicContact CD1-CB 3.94Å; Y953-E958 HydrophobicContact CD1-CG 4.42Å; Y953-E958 WeakPolarHBondContact CD1-O 3.18Å; Y953-E958 HydrophobicContact CD2-CB 4.19Å; Y953-E958 HydrophobicContact CD2-CG 3.77Å; Y953-E958 HydrophobicContact CE1-CB 3.9Å; Y953-E958 HydrophobicContact CE1-CG 4.49Å; Y953-E958 WeakPolarHBondContact CE1-O 3.42Å; Y953-E958 HydrophobicContact CE2-CB 4.11Å; Y953-E958 HydrophobicContact CE2-CG 3.81Å; Y953-E958 HydrophobicContact CG-CB 4.07Å; Y953-E958 HydrophobicContact CG-CG 4.06Å; Y953-M961 VanDerWaalsContact CD1-CA 3.44Å; Y953-M961 HydrophobicContact CD1-CB 3.85Å; Y953-M961 HydrophobicContact CD1-CG 4.37Å; Y953-M961 HydrophobicContact CE1-CB 3.82Å; Y953-M961 HydrophobicContact CE1-CG 4.17Å
954	A	93.7	Very high	92.1	Very high	26 Å²	26	67 Å²	67	22%	0.215	32%	0.319	C	S	.	.	S	Bend	trans	-61.7	-37.4	177.7	0	0	0	0	0	113.3	R939 K960 K962	R939-A954 PolarHBondContact NH1-O 2.87Å; A954-K960 HydrophobicContact CB-CB 4.09Å; A954-K960 PolarHBondContact N-O 3.15Å; A954-K962 HydrophobicContact CB-CG 4.36Å
955	D	93.1	Very high	92.2	Very high	51 Å²	51	66.1 Å²	66.1	27%	0.273	31%	0.314	S	S	.	.	S	Bend	trans	-154.5	174.2	-166.6	54	73.7	0	0	0	110.4	W940 Y953 H957 E958	W940-D955 VanDerWaalsContact CB-O 3.23Å; W940-D955 WeakPolarHBondContact CB-O 3.31Å; Y953-D955 VanDerWaalsContact C-N 3.3Å; Y953-D955 PolarHBondContact O-N 2.98Å; D955-H957 PolarHBondContact O-N 3.45Å; D955-H957 WeakPolarHBondContact OD1-CB 3.46Å; D955-H957 IonicContact OD1-CD2 2.79Å; D955-H957 IonicContact OD1-CG 3.73Å; D955-H957 PolarHBondContact OD1-N 3.23Å; D955-E958 PolarHBondContact O-N 3Å
956	K	92.5	Very high	92.5	Very high	125 Å²	125	71 Å²	71	54%	0.543	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.7	-176	178.6	169	179.6	-177.7	0	114.1	F925 W940 E958	F925-K956 HydrophobicContact CE2-CB 4.44Å; F925-K956 HydrophobicContact CZ-CB 4.04Å; W940-K956 HydrophobicContact CD2-CB 4.01Å; W940-K956 HydrophobicContact CD2-CG 4.1Å; W940-K956 HydrophobicContact CE3-CB 4.07Å; W940-K956 HydrophobicContact CE3-CD 4.48Å; W940-K956 HydrophobicContact CE3-CG 4.18Å; W940-K956 HydrophobicContact CG-CB 4.42Å; W940-K956 HydrophobicContact CH2-CD 3.77Å; W940-K956 HydrophobicContact CH2-CG 3.92Å; W940-K956 HydrophobicContact CZ2-CD 4.09Å; W940-K956 HydrophobicContact CZ2-CG 3.77Å; W940-K956 HydrophobicContact CZ3-CB 4.42Å; W940-K956 HydrophobicContact CZ3-CD 3.96Å; W940-K956 HydrophobicContact CZ3-CG 4.11Å; K956-E958 VanDerWaalsContact C-N 3.28Å; K956-E958 PolarHBondContact O-N 3.45Å
957	H	89.3	Confident	92.7	Very high	142 Å²	142	65.7 Å²	65.7	66%	0.657	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-4.3	-178.9	-52.7	-78.7	0	0	0	113.1	D955 N959	D955-H957 PolarHBondContact O-N 3.45Å; D955-H957 WeakPolarHBondContact OD1-CB 3.46Å; D955-H957 IonicContact OD1-CD2 2.79Å; D955-H957 IonicContact OD1-CG 3.73Å; D955-H957 PolarHBondContact OD1-N 3.23Å; H957-N959 WeakPolarHBondContact CB-ND2 3.4Å; H957-N959 PolarHBondContact O-N 3.15Å; H957-N959 PolarHBondContact O-OD1 2.99Å
958	E	91.3	Very high	92.7	Very high	56 Å²	56	62.7 Å²	62.7	26%	0.262	30%	0.295	S	S	.	.			trans	61.8	-6.4	176.9	-58.4	-174.4	-155.2	0	0	115.4	R923 W940 V942 Y953 D955 K956 K960	R923-E958 WeakPolarHBondContact CD-OE1 3.34Å; R923-E958 IonicContact NE-OE1 3.38Å; R923-E958 PolarHBondContact NE-OE1 3.31Å; W940-E958 PolarHBondContact NE1-OE1 2.8Å; V942-E958 HydrophobicContact CG2-CG 4.44Å; V942-E958 VanDerWaalsContact CG2-OE1 3.3Å; V942-E958 WeakPolarHBondContact CG2-OE1 3.43Å; Y953-E958 HydrophobicContact CD1-CB 3.94Å; Y953-E958 HydrophobicContact CD1-CG 4.42Å; Y953-E958 WeakPolarHBondContact CD1-O 3.18Å; Y953-E958 HydrophobicContact CD2-CB 4.19Å; Y953-E958 HydrophobicContact CD2-CG 3.77Å; Y953-E958 HydrophobicContact CE1-CB 3.9Å; Y953-E958 HydrophobicContact CE1-CG 4.49Å; Y953-E958 WeakPolarHBondContact CE1-O 3.42Å; Y953-E958 HydrophobicContact CE2-CB 4.11Å; Y953-E958 HydrophobicContact CE2-CG 3.81Å; Y953-E958 HydrophobicContact CG-CB 4.07Å; Y953-E958 HydrophobicContact CG-CG 4.06Å; D955-E958 PolarHBondContact O-N 3Å; K956-E958 VanDerWaalsContact C-N 3.28Å; K956-E958 PolarHBondContact O-N 3.45Å; E958-K960 PolarHBondContact O-N 3.42Å
959	N	86.8	Confident	92.8	Very high	132 Å²	132	58.3 Å²	58.3	71%	0.706	29%	0.285	S	S	*	.			trans	-48.6	-23.2	177	-70	-24.3	0	0	0	116.2	H957	H957-N959 WeakPolarHBondContact CB-ND2 3.4Å; H957-N959 PolarHBondContact O-N 3.15Å; H957-N959 PolarHBondContact O-OD1 2.99Å
960	K	89.6	Confident	92.7	Very high	133 Å²	133	58.7 Å²	58.7	58%	0.578	29%	0.286	S	S	*	.	S	Bend	trans	-138.2	80	-172.5	-71.4	177.2	-177.5	166.9	0	111.4	A954 E958 K962	A954-K960 HydrophobicContact CB-CB 4.09Å; A954-K960 PolarHBondContact N-O 3.15Å; E958-K960 PolarHBondContact O-N 3.42Å; K960-K962 WeakPolarHBondContact O-CE 3.4Å
961	M	94.6	Very high	92.3	Very high	104 Å²	104	62.6 Å²	62.6	51%	0.512	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	143.2	172	-171.1	168.3	62.6	0	0	111.4	T951 Y953 V964	T951-M961 HydrophobicContact CG2-CG 3.87Å; T951-M961 HydrophobicContact CG2-SD 3.66Å; Y953-M961 VanDerWaalsContact CD1-CA 3.44Å; Y953-M961 HydrophobicContact CD1-CB 3.85Å; Y953-M961 HydrophobicContact CD1-CG 4.37Å; Y953-M961 HydrophobicContact CE1-CB 3.82Å; Y953-M961 HydrophobicContact CE1-CG 4.17Å; M961-V964 HydrophobicContact CE-CG2 4.49Å; M961-V964 HydrophobicContact SD-CG2 3.72Å
962	K	94.9	Very high	91.9	Very high	106 Å²	106	66.8 Å²	66.8	46%	0.461	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	-6.5	-178.5	-60.3	-61.4	160.6	-149.3	0	114.2	Y952 A954 K960	Y952-K962 HydrophobicContact CD2-CB 3.76Å; Y952-K962 HydrophobicContact CE2-CB 3.58Å; Y952-K962 VanDerWaalsContact CE2-O 3.31Å; Y952-K962 WeakPolarHBondContact CE2-O 3.43Å; Y952-K962 WeakPolarHBondContact O-CA 3.41Å; Y952-K962 PolarHBondContact O-N 3.29Å; Y952-K962 PolarHBondContact OH-O 2.89Å; A954-K962 HydrophobicContact CB-CG 4.36Å; K960-K962 WeakPolarHBondContact O-CE 3.4Å
963	G	94.3	Very high	91.6	Very high	21 Å²	21	67.1 Å²	67.1	22%	0.216	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.6	164.8	169	0	0	0	0	0	111.8	Y952	Y952-G963 PolarHBondContact N-O 2.94Å; Y952-G963 PolarHBondContact O-N 3.43Å
964	V	94.9	Very high	91.2	Very high	36 Å²	36	68.9 Å²	68.9	22%	0.218	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.7	178.6	-179.7	0	0	0	0	107.9	T949 T951 M961 Y966	T949-V964 HydrophobicContact CG2-CG1 3.49Å; T949-V964 VanDerWaalsContact CG2-CG1 3.49Å; T951-V964 HydrophobicContact CG2-CG2 4.24Å; M961-V964 HydrophobicContact CE-CG2 4.49Å; M961-V964 HydrophobicContact SD-CG2 3.72Å; V964-Y966 HydrophobicContact CG1-CD1 4.23Å; V964-Y966 HydrophobicContact CG1-CD2 4.36Å; V964-Y966 HydrophobicContact CG1-CE1 3.97Å; V964-Y966 HydrophobicContact CG1-CE2 4.1Å; V964-Y966 HydrophobicContact CG1-CG 4.42Å
965	I	94.6	Very high	90.8	Very high	3 Å²	3	71.4 Å²	71.4	2%	0.015	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	112.5	166.1	-55.3	171.8	0	0	0	105.6	T949 L950 I970 T995 Y1000 M1002	T949-I965 WeakPolarHBondContact CA-O 3.5Å; L950-I965 HydrophobicContact CB-CB 4.2Å; L950-I965 HydrophobicContact CD2-CD1 4.13Å; L950-I965 PolarHBondContact N-O 3.45Å; L950-I965 WeakPolarHBondContact O-CB 3.43Å; L950-I965 PolarHBondContact O-N 3.08Å; I965-I970 HydrophobicContact CG2-CD1 4Å; I965-I970 HydrophobicContact CG2-CG1 3.78Å; I965-T995 HydrophobicContact CG2-CG2 3.88Å; I965-Y1000 HydrophobicContact CD1-CD1 3.77Å; I965-Y1000 HydrophobicContact CD1-CD2 3.93Å; I965-Y1000 HydrophobicContact CD1-CE1 3.62Å; I965-Y1000 HydrophobicContact CD1-CE2 3.79Å; I965-Y1000 HydrophobicContact CD1-CG 3.91Å; I965-Y1000 HydrophobicContact CG1-CE1 3.92Å; I965-Y1000 HydrophobicContact CG1-CE2 3.92Å; I965-M1002 HydrophobicContact CD1-CE 3.94Å
966	Y	92.9	Very high	90	Very high	145 Å²	145	69.6 Å²	69.6	57%	0.569	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	142.9	175.1	-62	-79.7	0	0	0	109.5	T949 V964 Q968 A969	T949-Y966 HydrophobicContact CG2-CD1 3.6Å; T949-Y966 HydrophobicContact CG2-CE1 3.83Å; T949-Y966 HydrophobicContact CG2-CG 4.48Å; V964-Y966 HydrophobicContact CG1-CD1 4.23Å; V964-Y966 HydrophobicContact CG1-CD2 4.36Å; V964-Y966 HydrophobicContact CG1-CE1 3.97Å; V964-Y966 HydrophobicContact CG1-CE2 4.1Å; V964-Y966 HydrophobicContact CG1-CG 4.42Å; Y966-Q968 VanDerWaalsContact C-N 3.28Å; Y966-Q968 PolarHBondContact O-N 3.44Å; Y966-A969 VanDerWaalsContact O-CB 3.31Å; Y966-A969 WeakPolarHBondContact O-CB 3.48Å; Y966-A969 PolarHBondContact O-N 2.69Å
967	F	90	Very high	88.5	Confident	3 Å²	3	70.9 Å²	70.9	1%	0.013	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-61.1	-37.8	-179.6	-64.1	-13.3	0	0	0	112.3	F943 D944 R948 L950 A969 I970 G1020	F943-F967 HydrophobicContact CD1-CZ 4.32Å; F943-F967 AromaticContact CD2-CE1 3.59Å; F943-F967 HydrophobicContact CD2-CE1 3.59Å; F943-F967 HydrophobicContact CD2-CE2 4.41Å; F943-F967 AromaticContact CD2-CZ 3.38Å; F943-F967 HydrophobicContact CD2-CZ 3.38Å; F943-F967 HydrophobicContact CE1-CE2 4.42Å; F943-F967 HydrophobicContact CE1-CZ 4.06Å; F943-F967 HydrophobicContact CE2-CD1 4.48Å; F943-F967 AromaticContact CE2-CE1 3.51Å; F943-F967 HydrophobicContact CE2-CE1 3.51Å; F943-F967 AromaticContact CE2-CE2 3.69Å; F943-F967 HydrophobicContact CE2-CE2 3.69Å; F943-F967 AromaticContact CE2-CZ 3.06Å; F943-F967 HydrophobicContact CE2-CZ 3.06Å; F943-F967 HydrophobicContact CG-CE1 4.49Å; F943-F967 HydrophobicContact CG-CZ 4.02Å; F943-F967 HydrophobicContact CZ-CE1 4.32Å; F943-F967 AromaticContact CZ-CE2 3.7Å; F943-F967 HydrophobicContact CZ-CE2 3.7Å; F943-F967 AromaticContact CZ-CZ 3.44Å; F943-F967 HydrophobicContact CZ-CZ 3.44Å; F943-F967 VanDerWaalsContact CZ-CZ 3.44Å; D944-F967 WeakPolarHBondContact O-CZ 3.4Å; R948-F967 VanDerWaalsContact CA-CD2 3.44Å; R948-F967 VanDerWaalsContact CA-CE2 3.45Å; R948-F967 HydrophobicContact CB-CD2 3.73Å; R948-F967 HydrophobicContact CB-CE2 4.2Å; R948-F967 HydrophobicContact CB-CG 4.28Å; R948-F967 HydrophobicContact CG-CD2 4.22Å; R948-F967 WeakPolarHBondContact O-CG 3.44Å; R948-F967 PolarHBondContact O-N 3.06Å; L950-F967 HydrophobicContact CB-CE1 4.22Å; F967-A969 PolarHBondContact O-N 3.02Å; F967-I970 HydrophobicContact CD1-CD1 4.39Å; F967-I970 WeakPolarHBondContact O-CB 3.42Å; F967-I970 PolarHBondContact O-N 2.96Å; F967-G1020 WeakPolarHBondContact CB-O 3.5Å; F967-G1020 WeakPolarHBondContact CD2-O 3.33Å
968	Q	87.3	Confident	87	Confident	70 Å²	70	70.2 Å²	70.2	33%	0.327	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-65	-16	173.2	176.9	51.7	-0.2	0	0	114.2	Y966 I970 H996 H1024	Y966-Q968 VanDerWaalsContact C-N 3.28Å; Y966-Q968 PolarHBondContact O-N 3.44Å; Q968-I970 VanDerWaalsContact C-N 3.32Å; Q968-H996 PolarHBondContact O-CE1 3.38Å; Q968-H1024 HydrophobicContact CB-CB 4.36Å; Q968-H1024 PolarHBondContact OE1-CD2 3.1Å; Q968-H1024 VanDerWaalsContact OE1-CG 3.32Å
969	A	89.2	Confident	85.3	Confident	28 Å²	28	75.5 Å²	75.5	23%	0.231	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-81	-15	173.5	0	0	0	0	0	112.2	Y966 F967 T995 H996	Y966-A969 VanDerWaalsContact O-CB 3.31Å; Y966-A969 WeakPolarHBondContact O-CB 3.48Å; Y966-A969 PolarHBondContact O-N 2.69Å; F967-A969 PolarHBondContact O-N 3.02Å; A969-T995 HydrophobicContact CB-CG2 4.5Å; A969-T995 WeakPolarHBondContact O-CA 3.23Å; A969-T995 WeakPolarHBondContact O-CB 3.27Å; A969-T995 WeakPolarHBondContact O-CG2 3.44Å; A969-H996 PolarHBondContact O-N 2.9Å; A969-H996 PolarHBondContact O-ND1 3.06Å
970	I	90.9	Very high	83.8	Confident	9 Å²	9	73.4 Å²	73.4	5%	0.046	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.6	-176.1	-56	174.7	0	0	0	109.5	I965 F967 Q968 V973 V993 T995 I1017 A1021	I965-I970 HydrophobicContact CG2-CD1 4Å; I965-I970 HydrophobicContact CG2-CG1 3.78Å; F967-I970 HydrophobicContact CD1-CD1 4.39Å; F967-I970 WeakPolarHBondContact O-CB 3.42Å; F967-I970 PolarHBondContact O-N 2.96Å; Q968-I970 VanDerWaalsContact C-N 3.32Å; I970-V973 HydrophobicContact CG2-CG2 3.93Å; I970-V993 HydrophobicContact CD1-CG1 3.99Å; I970-V993 HydrophobicContact CG1-CG1 3.98Å; I970-V993 HydrophobicContact CG2-CG1 3.89Å; I970-T995 HydrophobicContact CG1-CG2 4.06Å; I970-I1017 HydrophobicContact CD1-CG2 3.66Å; I970-A1021 HydrophobicContact CB-CB 4.01Å; I970-A1021 HydrophobicContact CG2-CB 4Å
971	E	88.4	Confident	82.2	Confident	83 Å²	83	67.4 Å²	67.4	39%	0.388	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-34.1	175.1	-59.5	174.5	178.1	0	0	111.6	K994 H996	E971-K994 HydrophobicContact CB-CG 4.43Å; E971-K994 PolarHBondContact N-O 3.14Å; E971-K994 WeakPolarHBondContact OE2-CE 3.34Å; E971-K994 IonicContact OE2-NZ 3.17Å; E971-K994 PolarHBondContact OE2-NZ 2.69Å; E971-H996 VanDerWaalsContact OE1-CA 3.31Å; E971-H996 WeakPolarHBondContact OE1-CA 3.46Å; E971-H996 IonicContact OE1-CD2 3.31Å; E971-H996 IonicContact OE1-CG 3.46Å
972	E	87.1	Confident	80.6	Confident	87 Å²	87	69.2 Å²	69.2	41%	0.407	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	142.8	-163.1	-162	-174	167.3	0	0	110.7	Y974 K994	E972-Y974 HydrophobicContact CG-CD1 3.97Å; E972-K994 HydrophobicContact CB-CB 4.14Å; E972-K994 HydrophobicContact CB-CD 4.47Å; E972-K994 HydrophobicContact CB-CG 4.47Å; E972-K994 PolarHBondContact N-O 3.08Å; E972-K994 PolarHBondContact O-N 3.34Å; E972-K994 WeakPolarHBondContact OE2-CD 3.27Å; E972-K994 WeakPolarHBondContact OE2-CE 3.47Å; E972-K994 IonicContact OE2-NZ 2.74Å; E972-K994 PolarHBondContact OE2-NZ 2.99Å
973	V	90.8	Very high	79.4	Confident	25 Å²	25	72.1 Å²	72.1	15%	0.152	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	122.7	172.9	-176.2	0	0	0	0	108.1	I970 F991 S992 V993 M1014 I1017 V1018	I970-V973 HydrophobicContact CG2-CG2 3.93Å; V973-F991 HydrophobicContact CG1-CD2 4.33Å; V973-S992 WeakPolarHBondContact CA-O 3.31Å; V973-V993 HydrophobicContact CG1-CG2 4.33Å; V973-V993 HydrophobicContact CG2-CG1 4.4Å; V973-V993 HydrophobicContact CG2-CG2 4.41Å; V973-M1014 HydrophobicContact CG1-CB 4.33Å; V973-M1014 HydrophobicContact CG1-CG 4.14Å; V973-I1017 HydrophobicContact CG2-CB 4.41Å; V973-I1017 HydrophobicContact CG2-CG2 3.76Å; V973-V1018 HydrophobicContact CB-CG2 3.75Å; V973-V1018 HydrophobicContact CG1-CG2 4.33Å; V973-V1018 HydrophobicContact CG2-CG2 4.04Å
974	Y	89.4	Confident	78.8	Confident	62 Å²	62	71.8 Å²	71.8	24%	0.243	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	154.2	-174.2	60.5	-92.4	0	0	0	113.1	E972 S992 K994	E972-Y974 HydrophobicContact CG-CD1 3.97Å; Y974-S992 VanDerWaalsContact CE2-CB 3.45Å; Y974-S992 VanDerWaalsContact CZ-CB 3.42Å; Y974-S992 PolarHBondContact N-O 2.92Å; Y974-S992 PolarHBondContact O-N 3.26Å; Y974-K994 HydrophobicContact CE1-CB 4.1Å; Y974-K994 HydrophobicContact CE1-CD 4.42Å
975	Y	85.6	Confident	78.4	Confident	78 Å²	78	74.4 Å²	74.4	31%	0.306	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.5	168.2	-174.9	-71.6	0	0	0	108.9	H977 S988 M1010	Y975-H977 HydrophobicContact CD1-CB 4.49Å; Y975-H977 AromaticContact CD1-CD2 3.61Å; Y975-H977 AromaticContact CD1-CE1 3.32Å; Y975-H977 WeakPolarHBondContact CD1-CE1 3.32Å; Y975-H977 AromaticContact CD1-CG 3.61Å; Y975-H977 AromaticContact CD1-ND1 3.44Å; Y975-H977 WeakPolarHBondContact CD1-ND1 3.38Å; Y975-H977 AromaticContact CD1-NE2 3.43Å; Y975-H977 WeakPolarHBondContact CD1-NE2 3.39Å; Y975-H977 AromaticContact CE1-CE1 3.63Å; Y975-H977 AromaticContact CE1-ND1 3.51Å; Y975-H977 AromaticContact CG-CE1 3.99Å; Y975-H977 AromaticContact CG-NE2 3.86Å; Y975-H977 PolarHBondContact O-CD2 2.93Å; Y975-H977 PolarHBondContact O-N 3Å; Y975-S988 WeakPolarHBondContact OH-CA 3.27Å; Y975-S988 PolarHBondContact OH-O 3.47Å; Y975-M1010 HydrophobicContact CD2-CE 3.32Å; Y975-M1010 HydrophobicContact CD2-SD 4.19Å; Y975-M1010 HydrophobicContact CE2-CE 3.5Å; Y975-M1010 VanDerWaalsContact CE2-CE 3.5Å; Y975-M1010 HydrophobicContact CE2-SD 4.02Å; Y975-M1010 HydrophobicContact CG-CE 4.24Å
976	D	74.7	Confident	77.9	Confident	14 Å²	14	77.2 Å²	77.2	8%	0.075	37%	0.371	C	S	.	.			trans	-82.1	86.4	-179.2	-172.5	10.5	0	0	0	111.1	L978 A981 Y1001	D976-L978 PolarHBondContact O-N 2.99Å; D976-L978 PolarHBondContact OD1-N 3.33Å; D976-L978 VanDerWaalsContact OD1-N 3.08Å; D976-A981 HydrophobicContact CB-CB 4.43Å; D976-A981 PolarHBondContact OD2-N 2.78Å; D976-Y1001 WeakPolarHBondContact OD2-CE1 3.39Å
977	H	62.8	Low	77.7	Confident	152 Å²	152	73 Å²	73	70%	0.704	36%	0.361	S	S	*	.			trans	-71.5	-3.7	174.4	-67.6	-75.3	0	0	0	113.6	Y975	Y975-H977 HydrophobicContact CD1-CB 4.49Å; Y975-H977 AromaticContact CD1-CD2 3.61Å; Y975-H977 AromaticContact CD1-CE1 3.32Å; Y975-H977 WeakPolarHBondContact CD1-CE1 3.32Å; Y975-H977 AromaticContact CD1-CG 3.61Å; Y975-H977 AromaticContact CD1-ND1 3.44Å; Y975-H977 WeakPolarHBondContact CD1-ND1 3.38Å; Y975-H977 AromaticContact CD1-NE2 3.43Å; Y975-H977 WeakPolarHBondContact CD1-NE2 3.39Å; Y975-H977 AromaticContact CE1-CE1 3.63Å; Y975-H977 AromaticContact CE1-ND1 3.51Å; Y975-H977 AromaticContact CG-CE1 3.99Å; Y975-H977 AromaticContact CG-NE2 3.86Å; Y975-H977 PolarHBondContact O-CD2 2.93Å; Y975-H977 PolarHBondContact O-N 3Å
978	L	56.1	Low	77.5	Confident	127 Å²	127	76.2 Å²	76.2	67%	0.665	38%	0.384	S	S	*	.	S	Bend	trans	-120.6	-176.5	-169.1	-107.1	74.8	0	0	0	113.8	D976 N980 A981	D976-L978 PolarHBondContact O-N 2.99Å; D976-L978 PolarHBondContact OD1-N 3.33Å; D976-L978 VanDerWaalsContact OD1-N 3.08Å; L978-N980 PolarHBondContact O-N 3.14Å; L978-A981 PolarHBondContact O-N 3.17Å
979	K	56	Low	77.7	Confident	167 Å²	167	73.7 Å²	73.7	73%	0.726	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	1	-152.6	-59.1	-175.8	179.8	179.9	0	116.8	H982	K979-H982 PolarHBondContact O-CD2 3.41Å
980	N	56	Low	77.8	Confident	89 Å²	89	72.3 Å²	72.3	48%	0.476	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-28.7	175.2	-78.3	2.4	0	0	0	112.3	L978 H982 K983 Y1001	L978-N980 PolarHBondContact O-N 3.14Å; N980-H982 PolarHBondContact O-N 3.29Å; N980-H982 VanDerWaalsContact O-N 3.15Å; N980-K983 PolarHBondContact O-N 2.96Å; N980-K983 VanDerWaalsContact O-N 3.17Å; N980-Y1001 HydrophobicContact CB-CE1 3.9Å; N980-Y1001 PolarHBondContact ND2-OH 3.45Å
981	A	56	Low	77.9	Confident	7 Å²	7	71.9 Å²	71.9	6%	0.058	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-58.2	-24.8	174.3	0	0	0	0	0	113.5	D976 L978 K983 S984 P987	D976-A981 HydrophobicContact CB-CB 4.43Å; D976-A981 PolarHBondContact OD2-N 2.78Å; L978-A981 PolarHBondContact O-N 3.17Å; A981-K983 PolarHBondContact O-N 2.79Å; A981-S984 WeakPolarHBondContact O-CB 3.47Å; A981-S984 PolarHBondContact O-N 3.49Å; A981-P987 HydrophobicContact CB-CB 4.14Å
982	H	59.9	Low	78.1	Confident	142 Å²	142	68 Å²	68	66%	0.657	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-59.8	-16.9	175.9	-55.3	-44.4	0	0	0	114.7	K979 N980	K979-H982 PolarHBondContact O-CD2 3.41Å; N980-H982 PolarHBondContact O-N 3.29Å; N980-H982 VanDerWaalsContact O-N 3.15Å
983	K	69.9	Low	78.4	Confident	167 Å²	167	63.8 Å²	63.8	73%	0.726	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-93.3	0.3	174.4	-65.8	-177.8	-179.8	176.3	0	113	W936 N980 A981	W936-K983 PolarHBondContact NE1-O 3.34Å; N980-K983 PolarHBondContact O-N 2.96Å; N980-K983 VanDerWaalsContact O-N 3.17Å; A981-K983 PolarHBondContact O-N 2.79Å
984	S	82.8	Confident	78.5	Confident	14 Å²	14	65.5 Å²	65.5	10%	0.098	33%	0.327	C	S	.	.	S	Bend	trans	-81	145.3	179.1	-175.5	0	0	0	0	112.3	A981 N986 T990 V1003	A981-S984 WeakPolarHBondContact O-CB 3.47Å; A981-S984 PolarHBondContact O-N 3.49Å; S984-N986 PolarHBondContact O-N 2.9Å; S984-N986 PolarHBondContact OG-N 2.86Å; S984-N986 PolarHBondContact OG-O 3.44Å; S984-T990 VanDerWaalsContact CB-OG1 3.29Å; S984-T990 WeakPolarHBondContact CB-OG1 3.47Å; S984-T990 PolarHBondContact OG-OG1 3.25Å; S984-V1003 WeakPolarHBondContact OG-CG2 3.39Å
985	P	85.1	Confident	78.6	Confident	91 Å²	91	62.9 Å²	62.9	59%	0.591	32%	0.318	S	S	*	.	S	Bend	trans	-58.3	-24.7	166.9	-24.8	34.3	0	0	0	114.3	W936	W936-P985 HydrophobicContact CB-CG 4.06Å; W936-P985 HydrophobicContact CD2-CG 4.22Å; W936-P985 HydrophobicContact CG-CG 3.85Å
986	N	85.9	Confident	78.7	Confident	61 Å²	61	64.9 Å²	64.9	33%	0.326	33%	0.329	S	S	.	.			trans	-150.6	97.8	171.8	-171.2	-14	0	0	0	110.8	S984 S988 L989 T990 V1003	S984-N986 PolarHBondContact O-N 2.9Å; S984-N986 PolarHBondContact OG-N 2.86Å; S984-N986 PolarHBondContact OG-O 3.44Å; N986-S988 VanDerWaalsContact C-N 3.35Å; N986-S988 PolarHBondContact O-N 3.29Å; N986-S988 PolarHBondContact OD1-N 3.21Å; N986-S988 PolarHBondContact OD1-OG 2.97Å; N986-S988 VanDerWaalsContact OD1-OG 3.07Å; N986-L989 HydrophobicContact CB-CB 4.48Å; N986-L989 WeakPolarHBondContact ND2-CD1 3.46Å; N986-L989 PolarHBondContact O-N 3.36Å; N986-T990 PolarHBondContact O-OG1 3.06Å; N986-V1003 HydrophobicContact CB-CG1 3.95Å
987	P	86.8	Confident	79.3	Confident	58 Å²	58	71.5 Å²	71.5	38%	0.377	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-57.4	-39.8	-177.1	-25.9	34.3	0	0	0	114.2	A981 L989 T990	A981-P987 HydrophobicContact CB-CB 4.14Å; P987-L989 PolarHBondContact O-N 3.39Å; P987-T990 WeakPolarHBondContact O-CB 3.49Å; P987-T990 PolarHBondContact O-N 2.99Å; P987-T990 VanDerWaalsContact O-N 3.12Å
988	S	87.1	Confident	80.6	Confident	70 Å²	70	69.6 Å²	69.6	49%	0.49	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-74.9	-8.6	-175.8	58.4	0	0	0	0	114.6	Y975 N986	Y975-S988 WeakPolarHBondContact OH-CA 3.27Å; Y975-S988 PolarHBondContact OH-O 3.47Å; N986-S988 VanDerWaalsContact C-N 3.35Å; N986-S988 PolarHBondContact O-N 3.29Å; N986-S988 PolarHBondContact OD1-N 3.21Å; N986-S988 PolarHBondContact OD1-OG 2.97Å; N986-S988 VanDerWaalsContact OD1-OG 3.07Å
989	L	91.1	Very high	82.3	Confident	16 Å²	16	65.8 Å²	65.8	8%	0.084	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-109.9	14.6	172	-59	-174.8	0	0	0	112.5	N986 P987 V1003 A1004 P1007	N986-L989 HydrophobicContact CB-CB 4.48Å; N986-L989 WeakPolarHBondContact ND2-CD1 3.46Å; N986-L989 PolarHBondContact O-N 3.36Å; P987-L989 PolarHBondContact O-N 3.39Å; L989-V1003 HydrophobicContact CB-CG1 3.87Å; L989-V1003 WeakPolarHBondContact O-CA 3.21Å; L989-A1004 HydrophobicContact CB-CB 4.48Å; L989-A1004 WeakPolarHBondContact CD1-O 3.26Å; L989-A1004 PolarHBondContact O-N 3.27Å; L989-P1007 HydrophobicContact CD2-CB 4.21Å; L989-P1007 HydrophobicContact CD2-CG 3.8Å
990	T	92.1	Very high	84	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.3	-174.4	-58.8	0	0	0	0	112.6	S984 N986 P987 M1002 M1010	S984-T990 VanDerWaalsContact CB-OG1 3.29Å; S984-T990 WeakPolarHBondContact CB-OG1 3.47Å; S984-T990 PolarHBondContact OG-OG1 3.25Å; N986-T990 PolarHBondContact O-OG1 3.06Å; P987-T990 WeakPolarHBondContact O-CB 3.49Å; P987-T990 PolarHBondContact O-N 2.99Å; P987-T990 VanDerWaalsContact O-N 3.12Å; T990-M1002 WeakPolarHBondContact CA-O 3.41Å; T990-M1010 VanDerWaalsContact O-CE 3.3Å; T990-M1010 WeakPolarHBondContact O-CE 3.36Å
991	F	93.1	Very high	85.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	163.7	171.4	68.2	-79.6	0	0	0	111.3	L926 V973 V993 M1002 M1010 W1013 M1014 I1017	L926-F991 HydrophobicContact CD1-CE1 4.34Å; L926-F991 HydrophobicContact CD1-CZ 3.84Å; L926-F991 HydrophobicContact CD2-CE1 4.07Å; L926-F991 HydrophobicContact CD2-CZ 4.38Å; V973-F991 HydrophobicContact CG1-CD2 4.33Å; F991-V993 HydrophobicContact CD2-CG2 4.11Å; F991-V993 HydrophobicContact CE2-CG2 3.81Å; F991-M1002 HydrophobicContact CD1-CB 4.33Å; F991-M1002 WeakPolarHBondContact CD1-O 3.39Å; F991-M1002 HydrophobicContact CE1-CB 3.89Å; F991-M1002 HydrophobicContact CE2-CB 4.3Å; F991-M1002 HydrophobicContact CE2-SD 4.44Å; F991-M1002 HydrophobicContact CZ-CB 3.88Å; F991-M1002 HydrophobicContact CZ-SD 4.27Å; F991-M1002 PolarHBondContact N-O 3.12Å; F991-M1002 PolarHBondContact O-N 2.89Å; F991-M1010 HydrophobicContact CB-CE 3.75Å; F991-M1010 HydrophobicContact CD1-CE 4.34Å; F991-M1010 HydrophobicContact CD1-CG 4.08Å; F991-W1013 HydrophobicContact CE1-CB 4.28Å; F991-W1013 HydrophobicContact CZ-CB 3.87Å; F991-W1013 HydrophobicContact CZ-CG 4.46Å; F991-M1014 HydrophobicContact CB-CG 4.07Å; F991-M1014 HydrophobicContact CB-SD 3.73Å; F991-M1014 HydrophobicContact CD2-CG 3.83Å; F991-M1014 HydrophobicContact CE2-CG 4.36Å; F991-M1014 HydrophobicContact CG-CG 3.91Å; F991-M1014 HydrophobicContact CG-SD 4.21Å; F991-I1017 HydrophobicContact CE2-CD1 4.03Å; F991-I1017 HydrophobicContact CZ-CD1 4.42Å
992	S	92.3	Very high	87.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.7	-179.9	-67.8	0	0	0	0	110.6	V973 Y974 Y1000 Y1001	V973-S992 WeakPolarHBondContact CA-O 3.31Å; Y974-S992 VanDerWaalsContact CE2-CB 3.45Å; Y974-S992 VanDerWaalsContact CZ-CB 3.42Å; Y974-S992 PolarHBondContact N-O 2.92Å; Y974-S992 PolarHBondContact O-N 3.26Å; S992-Y1000 WeakPolarHBondContact CA-O 3.44Å; S992-Y1001 VanDerWaalsContact OG-CD1 3.29Å; S992-Y1001 WeakPolarHBondContact OG-CD1 3.49Å; S992-Y1001 VanDerWaalsContact OG-CE1 3.3Å; S992-Y1001 WeakPolarHBondContact OG-CE1 3.45Å
993	V	93.3	Very high	89.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.6	165.7	-179.6	0	0	0	0	107.1	I970 V973 F991 T995 Y1000 M1002 I1017	I970-V993 HydrophobicContact CD1-CG1 3.99Å; I970-V993 HydrophobicContact CG1-CG1 3.98Å; I970-V993 HydrophobicContact CG2-CG1 3.89Å; V973-V993 HydrophobicContact CG1-CG2 4.33Å; V973-V993 HydrophobicContact CG2-CG1 4.4Å; V973-V993 HydrophobicContact CG2-CG2 4.41Å; F991-V993 HydrophobicContact CD2-CG2 4.11Å; F991-V993 HydrophobicContact CE2-CG2 3.81Å; V993-T995 HydrophobicContact CG1-CG2 4.46Å; V993-Y1000 PolarHBondContact N-O 2.86Å; V993-Y1000 PolarHBondContact O-N 3.42Å; V993-M1002 HydrophobicContact CB-CE 4.05Å; V993-M1002 HydrophobicContact CG2-CE 3.79Å; V993-I1017 HydrophobicContact CG1-CG2 4.38Å; V993-I1017 HydrophobicContact CG2-CD1 4.17Å; V993-I1017 HydrophobicContact CG2-CG2 4.34Å
994	K	91.8	Very high	90.5	Very high	60 Å²	60	41.8 Å²	41.8	26%	0.261	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.5	180	168	164.5	155.8	-76.6	0	109.4	E971 E972 Y974 V999	E971-K994 HydrophobicContact CB-CG 4.43Å; E971-K994 PolarHBondContact N-O 3.14Å; E971-K994 WeakPolarHBondContact OE2-CE 3.34Å; E971-K994 IonicContact OE2-NZ 3.17Å; E971-K994 PolarHBondContact OE2-NZ 2.69Å; E972-K994 HydrophobicContact CB-CB 4.14Å; E972-K994 HydrophobicContact CB-CD 4.47Å; E972-K994 HydrophobicContact CB-CG 4.47Å; E972-K994 PolarHBondContact N-O 3.08Å; E972-K994 PolarHBondContact O-N 3.34Å; E972-K994 WeakPolarHBondContact OE2-CD 3.27Å; E972-K994 WeakPolarHBondContact OE2-CE 3.47Å; E972-K994 IonicContact OE2-NZ 2.74Å; E972-K994 PolarHBondContact OE2-NZ 2.99Å; Y974-K994 HydrophobicContact CE1-CB 4.1Å; Y974-K994 HydrophobicContact CE1-CD 4.42Å; K994-V999 HydrophobicContact CB-CG2 4.19Å; K994-V999 HydrophobicContact CD-CG2 4.45Å; K994-V999 HydrophobicContact CG-CG2 4.27Å
995	T	92.3	Very high	91	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.9	176.5	64.5	0	0	0	0	109.5	I965 A969 I970 V993 D997 R998 Y1000	I965-T995 HydrophobicContact CG2-CG2 3.88Å; A969-T995 HydrophobicContact CB-CG2 4.5Å; A969-T995 WeakPolarHBondContact O-CA 3.23Å; A969-T995 WeakPolarHBondContact O-CB 3.27Å; A969-T995 WeakPolarHBondContact O-CG2 3.44Å; I970-T995 HydrophobicContact CG1-CG2 4.06Å; V993-T995 HydrophobicContact CG1-CG2 4.46Å; T995-D997 PolarHBondContact O-N 2.95Å; T995-R998 PolarHBondContact N-O 3.34Å; T995-R998 CarbonylContact O-C 3.51Å; T995-R998 PolarHBondContact O-N 3.47Å; T995-R998 VanDerWaalsContact O-O 3.04Å; T995-R998 PolarHBondContact OG1-N 2.81Å; T995-R998 PolarHBondContact OG1-O 3Å; T995-Y1000 HydrophobicContact CG2-CD2 4.05Å; T995-Y1000 HydrophobicContact CG2-CE2 3.8Å; T995-Y1000 WeakPolarHBondContact OG1-CE2 3.5Å
996	H	88.1	Confident	91.5	Very high	120 Å²	120	40.1 Å²	40.1	56%	0.556	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-42.7	-40.8	177.6	-58.4	81.2	0	0	0	113.6	Q968 A969 E971	Q968-H996 PolarHBondContact O-CE1 3.38Å; A969-H996 PolarHBondContact O-N 2.9Å; A969-H996 PolarHBondContact O-ND1 3.06Å; E971-H996 VanDerWaalsContact OE1-CA 3.31Å; E971-H996 WeakPolarHBondContact OE1-CA 3.46Å; E971-H996 IonicContact OE1-CD2 3.31Å; E971-H996 IonicContact OE1-CG 3.46Å
997	D	86.5	Confident	91.7	Very high	152 Å²	152	41.4 Å²	41.4	81%	0.813	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-31.6	179.1	-67	-33.8	0	0	0	114.6	T995	T995-D997 PolarHBondContact O-N 2.95Å
998	R	90.4	Very high	92	Very high	112 Å²	112	41.1 Å²	41.1	42%	0.423	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	162	-174.1	61.6	179	179.3	-133.6	-5.1	114.5	T995 Y1000	T995-R998 PolarHBondContact N-O 3.34Å; T995-R998 CarbonylContact O-C 3.51Å; T995-R998 PolarHBondContact O-N 3.47Å; T995-R998 VanDerWaalsContact O-O 3.04Å; T995-R998 PolarHBondContact OG1-N 2.81Å; T995-R998 PolarHBondContact OG1-O 3Å; R998-Y1000 HydrophobicContact CG-CD2 4.19Å; R998-Y1000 HydrophobicContact CG-CE2 3.84Å; R998-Y1000 PolarHBondContact NE-OH 2.93Å; R998-Y1000 PolarHBondContact NH2-OH 3.43Å
999	V	90.9	Very high	92.3	Very high	48 Å²	48	37.8 Å²	37.8	29%	0.291	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.6	162.6	-173.1	0	0	0	0	111.4	K994 Y1001	K994-V999 HydrophobicContact CB-CG2 4.19Å; K994-V999 HydrophobicContact CD-CG2 4.45Å; K994-V999 HydrophobicContact CG-CG2 4.27Å; V999-Y1001 HydrophobicContact CB-CE2 3.96Å; V999-Y1001 HydrophobicContact CG1-CD2 4.12Å; V999-Y1001 HydrophobicContact CG1-CE1 4.26Å; V999-Y1001 HydrophobicContact CG1-CE2 3.71Å
1000	Y	93.1	Very high	92.5	Very high	19 Å²	19	37.5 Å²	37.5	8%	0.075	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	107.6	169.4	-65.9	-101.2	0	0	0	110.1	Y952 I965 S992 V993 T995 R998 M1002	Y952-Y1000 HydrophobicContact CE1-CE1 4.47Å; I965-Y1000 HydrophobicContact CD1-CD1 3.77Å; I965-Y1000 HydrophobicContact CD1-CD2 3.93Å; I965-Y1000 HydrophobicContact CD1-CE1 3.62Å; I965-Y1000 HydrophobicContact CD1-CE2 3.79Å; I965-Y1000 HydrophobicContact CD1-CG 3.91Å; I965-Y1000 HydrophobicContact CG1-CE1 3.92Å; I965-Y1000 HydrophobicContact CG1-CE2 3.92Å; S992-Y1000 WeakPolarHBondContact CA-O 3.44Å; V993-Y1000 PolarHBondContact N-O 2.86Å; V993-Y1000 PolarHBondContact O-N 3.42Å; T995-Y1000 HydrophobicContact CG2-CD2 4.05Å; T995-Y1000 HydrophobicContact CG2-CE2 3.8Å; T995-Y1000 WeakPolarHBondContact OG1-CE2 3.5Å; R998-Y1000 HydrophobicContact CG-CD2 4.19Å; R998-Y1000 HydrophobicContact CG-CE2 3.84Å; R998-Y1000 PolarHBondContact NE-OH 2.93Å; R998-Y1000 PolarHBondContact NH2-OH 3.43Å; Y1000-M1002 HydrophobicContact CG-CE 4.25Å
1001	Y	92.6	Very high	92.5	Very high	34 Å²	34	43 Å²	43	13%	0.133	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127	170.7	-60.7	-91.6	0	0	0	109.8	K928 M929 D976 N980 S992 V999	K928-Y1001 VanDerWaalsContact CA-O 3.3Å; K928-Y1001 WeakPolarHBondContact CA-O 3.49Å; M929-Y1001 HydrophobicContact CE-CD2 3.25Å; M929-Y1001 HydrophobicContact CE-CE2 3.9Å; M929-Y1001 HydrophobicContact CE-CG 3.7Å; M929-Y1001 PolarHBondContact N-O 3.45Å; D976-Y1001 WeakPolarHBondContact OD2-CE1 3.39Å; N980-Y1001 HydrophobicContact CB-CE1 3.9Å; N980-Y1001 PolarHBondContact ND2-OH 3.45Å; S992-Y1001 VanDerWaalsContact OG-CD1 3.29Å; S992-Y1001 WeakPolarHBondContact OG-CD1 3.49Å; S992-Y1001 VanDerWaalsContact OG-CE1 3.3Å; S992-Y1001 WeakPolarHBondContact OG-CE1 3.45Å; V999-Y1001 HydrophobicContact CB-CE2 3.96Å; V999-Y1001 HydrophobicContact CG1-CD2 4.12Å; V999-Y1001 HydrophobicContact CG1-CE1 4.26Å; V999-Y1001 HydrophobicContact CG1-CE2 3.71Å
1002	M	94.4	Very high	92.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.5	-175.6	-51.8	-162.2	-156	0	0	110.9	L926 K928 F941 L950 I965 T990 F991 V993 Y1000	L926-M1002 HydrophobicContact CD1-CB 4.35Å; L926-M1002 HydrophobicContact CD1-SD 3.67Å; K928-M1002 HydrophobicContact CB-CG 4.15Å; F941-M1002 HydrophobicContact CD1-SD 4.39Å; F941-M1002 HydrophobicContact CE1-CE 3.8Å; F941-M1002 HydrophobicContact CE1-SD 3.59Å; F941-M1002 VanDerWaalsContact CE1-SD 3.59Å; F941-M1002 HydrophobicContact CE2-SD 4.36Å; F941-M1002 HydrophobicContact CZ-CE 4.11Å; F941-M1002 HydrophobicContact CZ-SD 3.54Å; F941-M1002 VanDerWaalsContact CZ-SD 3.54Å; L950-M1002 HydrophobicContact CD2-CE 4.17Å; I965-M1002 HydrophobicContact CD1-CE 3.94Å; T990-M1002 WeakPolarHBondContact CA-O 3.41Å; F991-M1002 HydrophobicContact CD1-CB 4.33Å; F991-M1002 WeakPolarHBondContact CD1-O 3.39Å; F991-M1002 HydrophobicContact CE1-CB 3.89Å; F991-M1002 HydrophobicContact CE2-CB 4.3Å; F991-M1002 HydrophobicContact CE2-SD 4.44Å; F991-M1002 HydrophobicContact CZ-CB 3.88Å; F991-M1002 HydrophobicContact CZ-SD 4.27Å; F991-M1002 PolarHBondContact N-O 3.12Å; F991-M1002 PolarHBondContact O-N 2.89Å; V993-M1002 HydrophobicContact CB-CE 4.05Å; V993-M1002 HydrophobicContact CG2-CE 3.79Å; Y1000-M1002 HydrophobicContact CG-CE 4.25Å
1003	V	94.8	Very high	92.6	Very high	8 Å²	8	43 Å²	43	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.2	174.7	-161	0	0	0	0	109.5	V927 W936 S984 N986 L989	V927-V1003 HydrophobicContact CB-CB 4.19Å; V927-V1003 HydrophobicContact CB-CG2 4.45Å; V927-V1003 PolarHBondContact N-O 3.03Å; V927-V1003 WeakPolarHBondContact O-CG2 3.45Å; V927-V1003 PolarHBondContact O-N 3.12Å; W936-V1003 HydrophobicContact CE3-CG2 3.92Å; W936-V1003 HydrophobicContact CH2-CG2 4.27Å; W936-V1003 HydrophobicContact CZ3-CG2 3.58Å; S984-V1003 WeakPolarHBondContact OG-CG2 3.39Å; N986-V1003 HydrophobicContact CB-CG1 3.95Å; L989-V1003 HydrophobicContact CB-CG1 3.87Å; L989-V1003 WeakPolarHBondContact O-CA 3.21Å
1004	A	95.4	Very high	92.7	Very high	6 Å²	6	44.7 Å²	44.7	5%	0.05	22%	0.221	C	C	.	.			trans	-79.8	157.8	173.4	0	0	0	0	0	112	L926 L989 M1010	L926-A1004 HydrophobicContact CD2-CB 4.19Å; L989-A1004 HydrophobicContact CB-CB 4.48Å; L989-A1004 WeakPolarHBondContact CD1-O 3.26Å; L989-A1004 PolarHBondContact O-N 3.27Å; A1004-M1010 HydrophobicContact CB-CB 3.54Å; A1004-M1010 HydrophobicContact CB-CG 4.02Å
1005	P	94.9	Very high	92.6	Very high	54 Å²	54	43.4 Å²	43.4	35%	0.351	22%	0.217	S	C	.	.	S	Bend	trans	-80.4	-22.6	175.9	32.6	-35.4	0	0	0	113.5	H914 A1009	H914-P1005 HydrophobicContact CB-CG 3.72Å; H914-P1005 VanDerWaalsContact CD2-CB 3.5Å; H914-P1005 WeakPolarHBondContact CD2-CB 3.42Å; P1005-A1009 HydrophobicContact CG-CB 3.87Å
1006	S	93.9	Very high	92.5	Very high	17 Å²	17	43 Å²	43	12%	0.119	21%	0.214	C	C	.	.	S	Bend	trans	-147.6	162.2	176.3	76.6	0	0	0	0	111.2	E1008 A1009 M1010	S1006-E1008 PolarHBondContact O-N 3.28Å; S1006-A1009 PolarHBondContact O-N 2.97Å; S1006-A1009 WeakPolarHBondContact OG-CB 3.19Å; S1006-A1009 PolarHBondContact OG-N 3.47Å; S1006-A1009 VanDerWaalsContact OG-N 3.08Å; S1006-M1010 WeakPolarHBondContact O-CB 3.15Å; S1006-M1010 PolarHBondContact O-N 3.1Å
1007	P	91.6	Very high	92.7	Very high	87 Å²	87	37.3 Å²	37.3	57%	0.565	19%	0.188	S	C	*	.	H	α-helix	trans	-62.7	-29.8	176.2	-19.6	30.2	0	0	0	113.3	L989 M1010 R1011	L989-P1007 HydrophobicContact CD2-CB 4.21Å; L989-P1007 HydrophobicContact CD2-CG 3.8Å; P1007-M1010 WeakPolarHBondContact O-CB 3.28Å; P1007-R1011 WeakPolarHBondContact O-CG 3.38Å; P1007-R1011 PolarHBondContact O-N 2.84Å
1008	E	91.8	Very high	92.7	Very high	53 Å²	53	31.3 Å²	31.3	25%	0.248	16%	0.157	C	C	.	.	H	α-helix	trans	-73.5	-48.6	176.7	-179.2	175.4	-115.8	0	0	111.7	C912 S1006 M1010 R1011 I1012	C912-E1008 HydrophobicContact CB-CG 4.18Å; C912-E1008 PolarHBondContact SG-OE2 3.33Å; S1006-E1008 PolarHBondContact O-N 3.28Å; E1008-M1010 PolarHBondContact O-N 3.42Å; E1008-R1011 PolarHBondContact O-N 3.37Å; E1008-R1011 VanDerWaalsContact O-N 3.16Å; E1008-I1012 HydrophobicContact CG-CD1 3.99Å; E1008-I1012 WeakPolarHBondContact O-CG1 3.46Å; E1008-I1012 PolarHBondContact O-N 3.05Å
1009	A	94.8	Very high	92.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-32.6	173.6	0	0	0	0	0	111.4	H914 L915 P1005 S1006 W1013	H914-A1009 HydrophobicContact CB-CB 4.14Å; L915-A1009 HydrophobicContact CD1-CB 4.32Å; L915-A1009 HydrophobicContact CD2-CB 4.22Å; L915-A1009 HydrophobicContact CG-CB 4.22Å; P1005-A1009 HydrophobicContact CG-CB 3.87Å; S1006-A1009 PolarHBondContact O-N 2.97Å; S1006-A1009 WeakPolarHBondContact OG-CB 3.19Å; S1006-A1009 PolarHBondContact OG-N 3.47Å; S1006-A1009 VanDerWaalsContact OG-N 3.08Å; A1009-W1013 VanDerWaalsContact O-CB 3.31Å; A1009-W1013 WeakPolarHBondContact O-CB 3.47Å; A1009-W1013 PolarHBondContact O-N 3.09Å
1010	M	94.1	Very high	92	Very high	9 Å²	9	24.6 Å²	24.6	4%	0.044	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-52.2	174.1	-167.8	-178	-174.7	0	0	112.3	Y975 T990 F991 A1004 S1006 P1007 E1008 W1013 M1014	Y975-M1010 HydrophobicContact CD2-CE 3.32Å; Y975-M1010 HydrophobicContact CD2-SD 4.19Å; Y975-M1010 HydrophobicContact CE2-CE 3.5Å; Y975-M1010 VanDerWaalsContact CE2-CE 3.5Å; Y975-M1010 HydrophobicContact CE2-SD 4.02Å; Y975-M1010 HydrophobicContact CG-CE 4.24Å; T990-M1010 VanDerWaalsContact O-CE 3.3Å; T990-M1010 WeakPolarHBondContact O-CE 3.36Å; F991-M1010 HydrophobicContact CB-CE 3.75Å; F991-M1010 HydrophobicContact CD1-CE 4.34Å; F991-M1010 HydrophobicContact CD1-CG 4.08Å; A1004-M1010 HydrophobicContact CB-CB 3.54Å; A1004-M1010 HydrophobicContact CB-CG 4.02Å; S1006-M1010 WeakPolarHBondContact O-CB 3.15Å; S1006-M1010 PolarHBondContact O-N 3.1Å; P1007-M1010 WeakPolarHBondContact O-CB 3.28Å; E1008-M1010 PolarHBondContact O-N 3.42Å; M1010-W1013 PolarHBondContact O-N 2.9Å; M1010-M1014 HydrophobicContact CE-SD 4.34Å; M1010-M1014 HydrophobicContact CG-SD 4.34Å; M1010-M1014 WeakPolarHBondContact O-CG 3.31Å; M1010-M1014 PolarHBondContact O-N 2.92Å
1011	R	92.7	Very high	91.3	Very high	115 Å²	115	24.2 Å²	24.2	43%	0.434	13%	0.13	S	C	.	.	H	α-helix	trans	-59.7	-50.2	179.3	-68.4	179.5	-65.3	127.4	0.7	111	H907 P1007 E1008 W1013 M1014 D1015	H907-R1011 PolarHBondContact CE1-NH1 2.93Å; H907-R1011 PolarHBondContact ND1-NH1 2.77Å; H907-R1011 VanDerWaalsContact ND1-NH1 3.11Å; P1007-R1011 WeakPolarHBondContact O-CG 3.38Å; P1007-R1011 PolarHBondContact O-N 2.84Å; E1008-R1011 PolarHBondContact O-N 3.37Å; E1008-R1011 VanDerWaalsContact O-N 3.16Å; R1011-W1013 PolarHBondContact O-N 3.42Å; R1011-M1014 PolarHBondContact O-N 2.85Å; R1011-M1014 VanDerWaalsContact O-N 3.12Å; R1011-D1015 PolarHBondContact O-N 2.9Å
1012	I	93.2	Very high	90	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.9	-45.9	178.3	-63.2	167.1	0	0	0	110.7	I902 H907 C912 L915 I917 E1008 M1014 D1015 V1016	I902-I1012 HydrophobicContact CG2-CG1 4.41Å; I902-I1012 HydrophobicContact CG2-CG2 4.24Å; H907-I1012 HydrophobicContact CB-CD1 4.1Å; H907-I1012 HydrophobicContact CB-CG1 3.85Å; C912-I1012 HydrophobicContact CB-CD1 3.79Å; L915-I1012 HydrophobicContact CD1-CB 3.81Å; L915-I1012 HydrophobicContact CD1-CD1 4.13Å; L915-I1012 HydrophobicContact CD1-CG2 3.54Å; I917-I1012 HydrophobicContact CD1-CG2 3.91Å; E1008-I1012 HydrophobicContact CG-CD1 3.99Å; E1008-I1012 WeakPolarHBondContact O-CG1 3.46Å; E1008-I1012 PolarHBondContact O-N 3.05Å; I1012-M1014 VanDerWaalsContact C-N 3.33Å; I1012-M1014 PolarHBondContact O-N 3.42Å; I1012-D1015 PolarHBondContact O-N 2.83Å; I1012-V1016 HydrophobicContact CG2-CG2 3.99Å; I1012-V1016 WeakPolarHBondContact O-CB 3.47Å; I1012-V1016 WeakPolarHBondContact O-CG2 3.49Å; I1012-V1016 PolarHBondContact O-N 3.45Å
1013	W	95.3	Very high	88.2	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.3	-40.2	176.2	-90	118	0	0	0	112.8	L915 L926 F941 F943 L950 F991 A1009 M1010 R1011 I1017	L915-W1013 HydrophobicContact CD2-CZ2 4.32Å; L926-W1013 HydrophobicContact CD1-CD2 3.88Å; L926-W1013 HydrophobicContact CD1-CE3 4.39Å; L926-W1013 HydrophobicContact CD1-CG 4.08Å; L926-W1013 HydrophobicContact CD1-CZ2 4.35Å; L926-W1013 HydrophobicContact CD2-CG 4.15Å; L926-W1013 HydrophobicContact CG-CD2 4.39Å; L926-W1013 HydrophobicContact CG-CG 4.45Å; L926-W1013 HydrophobicContact CG-CZ2 4.42Å; F941-W1013 HydrophobicContact CB-CH2 3.58Å; F941-W1013 HydrophobicContact CB-CZ2 3.84Å; F941-W1013 HydrophobicContact CB-CZ3 4.34Å; F943-W1013 HydrophobicContact CB-CZ3 4.03Å; L950-W1013 HydrophobicContact CD1-CE3 4.44Å; L950-W1013 HydrophobicContact CD1-CH2 4.29Å; L950-W1013 HydrophobicContact CD1-CZ3 3.64Å; F991-W1013 HydrophobicContact CE1-CB 4.28Å; F991-W1013 HydrophobicContact CZ-CB 3.87Å; F991-W1013 HydrophobicContact CZ-CG 4.46Å; A1009-W1013 VanDerWaalsContact O-CB 3.31Å; A1009-W1013 WeakPolarHBondContact O-CB 3.47Å; A1009-W1013 PolarHBondContact O-N 3.09Å; M1010-W1013 PolarHBondContact O-N 2.9Å; R1011-W1013 PolarHBondContact O-N 3.42Å; W1013-I1017 HydrophobicContact CE3-CD1 3.98Å; W1013-I1017 HydrophobicContact CE3-CG1 4.25Å; W1013-I1017 WeakPolarHBondContact O-CB 3.34Å; W1013-I1017 VanDerWaalsContact O-CD1 3.25Å; W1013-I1017 WeakPolarHBondContact O-CD1 3.47Å; W1013-I1017 WeakPolarHBondContact O-CG1 3.24Å; W1013-I1017 PolarHBondContact O-N 2.94Å; W1013-I1017 VanDerWaalsContact O-N 3.12Å
1014	M	93.5	Very high	86	Confident	36 Å²	36	30.1 Å²	30.1	18%	0.177	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-52.3	178	-72.1	177.9	62	0	0	111.3	V973 F991 M1010 R1011 I1012 V1016 I1017 V1018	V973-M1014 HydrophobicContact CG1-CB 4.33Å; V973-M1014 HydrophobicContact CG1-CG 4.14Å; F991-M1014 HydrophobicContact CB-CG 4.07Å; F991-M1014 HydrophobicContact CB-SD 3.73Å; F991-M1014 HydrophobicContact CD2-CG 3.83Å; F991-M1014 HydrophobicContact CE2-CG 4.36Å; F991-M1014 HydrophobicContact CG-CG 3.91Å; F991-M1014 HydrophobicContact CG-SD 4.21Å; M1010-M1014 HydrophobicContact CE-SD 4.34Å; M1010-M1014 HydrophobicContact CG-SD 4.34Å; M1010-M1014 WeakPolarHBondContact O-CG 3.31Å; M1010-M1014 PolarHBondContact O-N 2.92Å; R1011-M1014 PolarHBondContact O-N 2.85Å; R1011-M1014 VanDerWaalsContact O-N 3.12Å; I1012-M1014 VanDerWaalsContact C-N 3.33Å; I1012-M1014 PolarHBondContact O-N 3.42Å; M1014-V1016 PolarHBondContact O-N 3.24Å; M1014-I1017 PolarHBondContact O-N 3.46Å; M1014-V1018 WeakPolarHBondContact O-CG2 3.43Å; M1014-V1018 PolarHBondContact O-N 3.36Å
1015	D	89.7	Confident	83.8	Confident	33 Å²	33	35.7 Å²	35.7	18%	0.176	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-39.8	-177.9	-67.3	-32.2	0	0	0	112.2	Y888 I902 H907 R1011 I1012 T1019	Y888-D1015 PolarHBondContact OH-OD1 2.95Å; I902-D1015 HydrophobicContact CD1-CB 4.35Å; H907-D1015 IonicContact CD2-OD2 3.17Å; H907-D1015 IonicContact CE1-OD2 3.31Å; H907-D1015 PolarHBondContact CE1-OD2 3.17Å; H907-D1015 IonicContact NE2-OD2 3.99Å; H907-D1015 PolarHBondContact NE2-OD2 3.16Å; R1011-D1015 PolarHBondContact O-N 2.9Å; I1012-D1015 PolarHBondContact O-N 2.83Å; D1015-T1019 VanDerWaalsContact O-CB 3.29Å; D1015-T1019 WeakPolarHBondContact O-CB 3.49Å; D1015-T1019 PolarHBondContact O-N 3.41Å; D1015-T1019 PolarHBondContact O-OG1 2.78Å
1016	V	91.1	Very high	81.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.8	-49.6	172.7	165.2	0	0	0	0	111	L898 I902 C922 F943 I1012 M1014 T1019 G1020	L898-V1016 HydrophobicContact CD1-CG2 4.32Å; I902-V1016 HydrophobicContact CD1-CG2 3.59Å; I902-V1016 HydrophobicContact CG1-CG2 3.99Å; C922-V1016 HydrophobicContact CB-CG1 3.98Å; C922-V1016 HydrophobicContact CB-CG2 4.25Å; F943-V1016 HydrophobicContact CB-CG1 3.8Å; F943-V1016 HydrophobicContact CD1-CG1 3.55Å; F943-V1016 HydrophobicContact CD2-CG1 3.39Å; F943-V1016 HydrophobicContact CE1-CG1 3.86Å; F943-V1016 HydrophobicContact CE2-CG1 3.69Å; F943-V1016 WeakPolarHBondContact CE2-O 3.34Å; F943-V1016 HydrophobicContact CG-CG1 3.3Å; F943-V1016 HydrophobicContact CZ-CG1 3.92Å; F943-V1016 VanDerWaalsContact CZ-O 3.32Å; F943-V1016 WeakPolarHBondContact CZ-O 3.31Å; I1012-V1016 HydrophobicContact CG2-CG2 3.99Å; I1012-V1016 WeakPolarHBondContact O-CB 3.47Å; I1012-V1016 WeakPolarHBondContact O-CG2 3.49Å; I1012-V1016 PolarHBondContact O-N 3.45Å; M1014-V1016 PolarHBondContact O-N 3.24Å; V1016-T1019 PolarHBondContact O-N 3.1Å; V1016-G1020 PolarHBondContact O-N 2.81Å; V1016-G1020 VanDerWaalsContact O-N 3.1Å
1017	I	92.3	Very high	79.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-70.1	-38.4	-175.9	-63.7	165.7	0	0	0	111.3	F943 L950 I970 V973 F991 V993 W1013 M1014 G1020 A1021	F943-I1017 HydrophobicContact CD2-CG1 4.46Å; L950-I1017 HydrophobicContact CD1-CD1 4.48Å; L950-I1017 HydrophobicContact CD2-CD1 3.57Å; L950-I1017 HydrophobicContact CD2-CG1 3.97Å; L950-I1017 HydrophobicContact CD2-CG2 4.48Å; I970-I1017 HydrophobicContact CD1-CG2 3.66Å; V973-I1017 HydrophobicContact CG2-CB 4.41Å; V973-I1017 HydrophobicContact CG2-CG2 3.76Å; F991-I1017 HydrophobicContact CE2-CD1 4.03Å; F991-I1017 HydrophobicContact CZ-CD1 4.42Å; V993-I1017 HydrophobicContact CG1-CG2 4.38Å; V993-I1017 HydrophobicContact CG2-CD1 4.17Å; V993-I1017 HydrophobicContact CG2-CG2 4.34Å; W1013-I1017 HydrophobicContact CE3-CD1 3.98Å; W1013-I1017 HydrophobicContact CE3-CG1 4.25Å; W1013-I1017 WeakPolarHBondContact O-CB 3.34Å; W1013-I1017 VanDerWaalsContact O-CD1 3.25Å; W1013-I1017 WeakPolarHBondContact O-CD1 3.47Å; W1013-I1017 WeakPolarHBondContact O-CG1 3.24Å; W1013-I1017 PolarHBondContact O-N 2.94Å; W1013-I1017 VanDerWaalsContact O-N 3.12Å; M1014-I1017 PolarHBondContact O-N 3.46Å; I1017-G1020 PolarHBondContact O-N 2.92Å; I1017-A1021 WeakPolarHBondContact O-CB 3.35Å; I1017-A1021 PolarHBondContact O-N 3.03Å
1018	V	87.6	Confident	76.7	Confident	27 Å²	27	49.1 Å²	49.1	16%	0.164	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-49	172.8	170.1	0	0	0	0	110.7	Y888 V973 M1014 G1020 A1021 E1022	Y888-V1018 HydrophobicContact CD2-CG1 4.48Å; Y888-V1018 HydrophobicContact CE2-CG1 4.45Å; V973-V1018 HydrophobicContact CB-CG2 3.75Å; V973-V1018 HydrophobicContact CG1-CG2 4.33Å; V973-V1018 HydrophobicContact CG2-CG2 4.04Å; M1014-V1018 WeakPolarHBondContact O-CG2 3.43Å; M1014-V1018 PolarHBondContact O-N 3.36Å; V1018-G1020 PolarHBondContact O-N 2.96Å; V1018-A1021 PolarHBondContact O-N 3.3Å; V1018-E1022 HydrophobicContact CG1-CG 4.09Å; V1018-E1022 PolarHBondContact O-N 3.34Å
1019	T	83.3	Confident	74	Confident	17 Å²	17	56.2 Å²	56.2	10%	0.104	29%	0.288	C	S	.	.	H	α-helix	trans	-57.9	-37	179.1	-57.2	0	0	0	0	112.1	F896 H901 D1015 V1016	F896-T1019 HydrophobicContact CE2-CG2 4.3Å; F896-T1019 HydrophobicContact CZ-CG2 3.78Å; H901-T1019 WeakPolarHBondContact NE2-CB 3.37Å; H901-T1019 WeakPolarHBondContact NE2-CG2 3.28Å; H901-T1019 PolarHBondContact NE2-OG1 3.01Å; D1015-T1019 VanDerWaalsContact O-CB 3.29Å; D1015-T1019 WeakPolarHBondContact O-CB 3.49Å; D1015-T1019 PolarHBondContact O-N 3.41Å; D1015-T1019 PolarHBondContact O-OG1 2.78Å; V1016-T1019 PolarHBondContact O-N 3.1Å
1020	G	82.3	Confident	73	Confident	2 Å²	2	59 Å²	59	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-70.4	-38.1	173.2	0	0	0	0	0	114.2	F967 V1016 I1017 V1018	F967-G1020 WeakPolarHBondContact CB-O 3.5Å; F967-G1020 WeakPolarHBondContact CD2-O 3.33Å; V1016-G1020 PolarHBondContact O-N 2.81Å; V1016-G1020 VanDerWaalsContact O-N 3.1Å; I1017-G1020 PolarHBondContact O-N 2.92Å; V1018-G1020 PolarHBondContact O-N 2.96Å
1021	A	78.3	Confident	71.9	Confident	11 Å²	11	61.6 Å²	61.6	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-74.6	-49.1	-176.5	0	0	0	0	0	113.3	I970 I1017 V1018 G1023 H1024	I970-A1021 HydrophobicContact CB-CB 4.01Å; I970-A1021 HydrophobicContact CG2-CB 4Å; I1017-A1021 WeakPolarHBondContact O-CB 3.35Å; I1017-A1021 PolarHBondContact O-N 3.03Å; V1018-A1021 PolarHBondContact O-N 3.3Å; A1021-G1023 PolarHBondContact O-N 3.38Å; A1021-G1023 VanDerWaalsContact O-N 3.1Å; A1021-H1024 PolarHBondContact O-N 3.25Å
1022	E	66	Low	70.7	Confident	75 Å²	75	58.7 Å²	58.7	35%	0.35	31%	0.309	S	S	.	.	H	α-helix	trans	-59	-27.9	-179.8	-69.2	-173.2	167.4	0	0	112.2	Y888 V1018 H1024 M1025	Y888-E1022 WeakPolarHBondContact CB-OE2 3.45Å; V1018-E1022 HydrophobicContact CG1-CG 4.09Å; V1018-E1022 PolarHBondContact O-N 3.34Å; E1022-H1024 PolarHBondContact O-N 3.26Å; E1022-M1025 PolarHBondContact O-N 3.24Å
1023	G	56.7	Low	69.4	Low	35 Å²	35	62.1 Å²	62.1	36%	0.361	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	0.3	173.3	0	0	0	0	0	116.2	R948 A1021	R948-G1023 PolarHBondContact NH1-O 3.45Å; A1021-G1023 PolarHBondContact O-N 3.38Å; A1021-G1023 VanDerWaalsContact O-N 3.1Å
1024	H	48.9	Very low	67.8	Low	56 Å²	56	66 Å²	66	26%	0.259	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-24.7	171.6	-151.5	107.9	0	0	0	114.8	Q968 A1021 E1022 H1026 F1027	Q968-H1024 HydrophobicContact CB-CB 4.36Å; Q968-H1024 PolarHBondContact OE1-CD2 3.1Å; Q968-H1024 VanDerWaalsContact OE1-CG 3.32Å; A1021-H1024 PolarHBondContact O-N 3.25Å; E1022-H1024 PolarHBondContact O-N 3.26Å; H1024-H1026 PolarHBondContact O-N 3.34Å; H1024-F1027 PolarHBondContact O-N 3.46Å
1025	M	48.6	Very low	66.1	Low	122 Å²	122	68 Å²	68	60%	0.601	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-62.1	-6.1	-170.6	-71.5	-179.4	66.1	0	0	116.1	E1022	E1022-M1025 PolarHBondContact O-N 3.24Å
1026	H	47	Very low	64.4	Low	118 Å²	118	70.5 Å²	70.5	55%	0.546	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-92.1	10.3	-179.9	-90	78	0	0	0	115.4	R892 H1024	R892-H1026 PolarHBondContact NH2-CD2 3.09Å; R892-H1026 PolarHBondContact NH2-ND1 3.37Å; R892-H1026 PolarHBondContact NH2-NE2 3.01Å; H1024-H1026 PolarHBondContact O-N 3.34Å
1027	F	42.9	Very low	62.4	Low	166 Å²	166	75.9 Å²	75.9	73%	0.728	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-107.7	21.6	174.9	-75.8	-76.8	0	0	0	113.6	H1024	H1024-F1027 PolarHBondContact O-N 3.46Å
1028	M	41.8	Very low	59.9	Low	157 Å²	157	82.3 Å²	82.3	77%	0.773	44%	0.435	S	S	*	.			trans	-132.4	30.1	179.1	-69.2	-174	62.3	0	0	113.2
1029	V	35.3	Very low	57.3	Low	201 Å²	201	87.3 Å²	87.3	100%	1.218	46%	0.459	S	S	*	.			trans	-130.1	0	171.2	-176.4	0	0	0	0	108.1

Retrieved 1,029 of 1,029 residues in 179.5 ms (Link to these results)

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