A0A077ZK72_TRITR Loading...

Dynamin-like GTPase OPA1, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZK72, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 912 aa.

						>A0A077ZK72_TRITR|A0A077ZK72
MPAISTRFSCKLLTPPLPLTAAVYGKRNVSILVQLGRNLLRVRYIVIGSLVGGGITVSQTVQSWKDKLPDFDWLTDHWPNSDSMNKYIEYTKDIPAVIQQRGRHFNERLRSNGKMALSYVGDWLSSFKPDVLTSFSKGLGPVPCNVISSHYLLGMALYSGMPEWEELESSYSLPIAEEFNKPTVNPVVNEANSLDVQLKFQRQMEKLEKENAELRHLLTLNNKTTDIHRRSKQSLIEMYSEVLDILADYDASYKTQDCLPRVIVVGDQSSGKTSVLEMVAQARIFPRGSGEMMTRAPVKVTLSEGPYHIAKFKDSEREFDLTKESDVDYISTYKTLSYRCRFFQLAELRYEIELRMRNSVTDGKTVSKEVIALAVQGPSLPRMVLIDLPGVISTVTSEMAVGTKNDILDICRCHMENPNAIILCIQDGSVDAERSNVTDLVASLDPQGKRTILVLTKVDLAEENLINPDRVKKILDGKLFPMKAIGYFAVVAGKGNQGDSIEAIKEYEEEFFANSKLFRALESSQLTTRNMSLAVSDRFWTMVKESVEQQADSFKAKRFNLETEWRNTFPKKRELDRDELFEKARNELLDEINALEEIASKDWETALREKIWKRMSSHVFDKLYFPAAVEESIGAFTTSIDIKLKRWVDNALPAICVEAAWDALREKLTDIVAQDASKMEHVSLFEPLKNAIIEQAFSAHAWDPKACYYLRVIQSNAIEDRNVPDRVSWEMATQFMETTVKEQLINAEHTFREMVGPGWSEKWLLWASAKESQNRKPFLEPEEVALACRNIEVKGGKASPEELRDVWHHLYHRNFLHTALSSARECKNLFVHYQNGFLEAADCASVVVFWRIHRMLNATVNALRQQIVNKEARRLEAEIKRIIVEWSQNADVKKKFIVGRQVELAEQLSTFV
					

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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	31.4	Very low	31.5	Very low	242 Å²	242	153.4 Å²	153.4	100%	1.192	84%	0.838	S	S	*	*				0	132.4	0	-74	-172.2	165.6	0	0	107.7
2	P	33.2	Very low	31.9	Very low	124 Å²	124	154.8 Å²	154.8	81%	0.805	84%	0.843	S	S	*	*				-112.7	154.2	-91.9	36.2	-33.1	0	0	0	115.5
3	A	28.9	Very low	31.9	Very low	90 Å²	90	149.6 Å²	149.6	74%	0.744	81%	0.813	S	S	*	*			trans	80.3	150.4	142.6	0	0	0	0	0	120.4
4	I	33	Very low	31.8	Very low	161 Å²	161	147.2 Å²	147.2	83%	0.826	81%	0.806	S	S	*	*			trans	95.2	68	162.1	-42.1	161.1	0	0	0	114.8
5	S	28.8	Very low	32	Very low	115 Å²	115	142.8 Å²	142.8	80%	0.804	79%	0.787	S	S	*	*			trans	-136.9	65.5	160.8	164.8	0	0	0	0	108.8
6	T	30.2	Very low	32.1	Very low	128 Å²	128	141.6 Å²	141.6	79%	0.785	79%	0.788	S	S	*	*			trans	-173.8	95.8	168.3	43.5	0	0	0	0	108.7
7	R	31.2	Very low	32.2	Very low	236 Å²	236	143.2 Å²	143.2	89%	0.891	79%	0.794	S	S	*	*			trans	-163.9	29.5	166.4	-116.6	174.3	-152.5	-160.4	7	118.3
8	F	33.6	Very low	32.3	Very low	159 Å²	159	141 Å²	141	70%	0.697	79%	0.787	S	S	*	*	S	Bend	trans	-130.8	-2	168.8	-92.4	-84	0	0	0	117
9	S	30.4	Very low	32.3	Very low	121 Å²	121	143 Å²	143	85%	0.846	80%	0.795	S	S	*	*	S	Bend	trans	-107.6	15	-177	-55.6	0	0	0	0	117.4
10	C	32	Very low	32.3	Very low	116 Å²	116	141.9 Å²	141.9	78%	0.784	79%	0.792	S	S	*	*	S	Bend	trans	-138.8	11.2	-173.7	-88	0	0	0	0	118.2
11	K	33.7	Very low	32.2	Very low	195 Å²	195	139.6 Å²	139.6	85%	0.848	79%	0.791	S	S	*	*	S	Bend	trans	-109.4	-6.5	-179.3	-81.9	-170.5	175.9	-174.7	0	116.8	L13	K11-L13 VanDerWaalsContact C-N 3.26Å; K11-L13 PolarHBondContact O-N 3.03Å
12	L	36	Very low	32.3	Very low	171 Å²	171	132.2 Å²	132.2	90%	0.895	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	6.3	176.2	-81.1	153.7	0	0	0	113.8
13	L	32.1	Very low	32.2	Very low	87 Å²	87	133 Å²	133	46%	0.455	77%	0.771	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.1	29.5	-168.4	-92	162.2	0	0	0	114.7	K11 N790 K794	K11-L13 VanDerWaalsContact C-N 3.26Å; K11-L13 PolarHBondContact O-N 3.03Å; L13-N790 HydrophobicContact CD2-CB 4.07Å; L13-K794 PolarHBondContact O-NZ 3.09Å
14	T	30.8	Very low	32.4	Very low	116 Å²	116	139.4 Å²	139.4	71%	0.712	78%	0.777	S	S	*	*			trans	-99.5	112.1	170.9	48.8	0	0	0	0	111.4
15	P	34	Very low	32.5	Very low	81 Å²	81	134.9 Å²	134.9	53%	0.526	77%	0.771	S	S	.	*			trans	-73.9	161.3	166.3	35.6	-29.9	0	0	0	109.1	K794	P15-K794 HydrophobicContact CG-CD 4.1Å
16	P	34.7	Very low	32.6	Very low	123 Å²	123	139.3 Å²	139.3	80%	0.799	78%	0.776	S	S	*	*			trans	-60.3	144.2	176.6	26.7	-33.2	0	0	0	110.4
17	L	33.1	Very low	33	Very low	170 Å²	170	144.4 Å²	144.4	89%	0.89	78%	0.78	S	S	*	*			trans	-40.7	129.1	173.8	-79.4	144.8	0	0	0	111.4	L19	L17-L19 PolarHBondContact O-N 3.39Å
18	P	34.3	Very low	33.3	Very low	103 Å²	103	138.6 Å²	138.6	67%	0.669	77%	0.767	S	S	*	*			trans	-68.5	124.6	171.3	28	-29.9	0	0	0	108.5	T20	P18-T20 VanDerWaalsContact C-N 3.25Å; P18-T20 PolarHBondContact O-N 3.48Å
19	L	31.3	Very low	33.6	Very low	179 Å²	179	136.5 Å²	136.5	94%	0.937	77%	0.767	S	S	*	*			trans	-59.1	95.2	158.9	-91.6	153.6	0	0	0	107.2	L17 A21	L17-L19 PolarHBondContact O-N 3.39Å; L19-A21 PolarHBondContact O-N 3.17Å
20	T	32.8	Very low	34.3	Very low	121 Å²	121	135 Å²	135	74%	0.742	76%	0.756	S	S	*	*			trans	-65.2	102.3	172.1	48.2	0	0	0	0	108.2	P18 A22	P18-T20 VanDerWaalsContact C-N 3.25Å; P18-T20 PolarHBondContact O-N 3.48Å; T20-A22 VanDerWaalsContact C-N 3.31Å; T20-A22 PolarHBondContact O-N 3.1Å
21	A	30.3	Very low	34.8	Very low	93 Å²	93	134.1 Å²	134.1	77%	0.769	74%	0.743	S	S	*	*			trans	-62.8	96.5	157.1	0	0	0	0	0	107.6	L19 V23	L19-A21 PolarHBondContact O-N 3.17Å; A21-V23 PolarHBondContact O-N 2.94Å; A21-V23 VanDerWaalsContact O-N 3.08Å
22	A	32.9	Very low	35.2	Very low	87 Å²	87	131 Å²	131	72%	0.719	74%	0.735	S	S	*	*			trans	-66.8	106.1	172.9	0	0	0	0	0	108.9	T20 Y24	T20-A22 VanDerWaalsContact C-N 3.31Å; T20-A22 PolarHBondContact O-N 3.1Å; A22-Y24 PolarHBondContact O-N 3.44Å; A22-Y24 VanDerWaalsContact O-N 3.11Å
23	V	31.4	Very low	35.6	Very low	141 Å²	141	127.6 Å²	127.6	86%	0.855	72%	0.721	S	S	*	*			trans	-67.3	100.6	165.9	176.5	0	0	0	0	107.4	A21	A21-V23 PolarHBondContact O-N 2.94Å; A21-V23 VanDerWaalsContact O-N 3.08Å
24	Y	34.2	Very low	36.3	Very low	224 Å²	224	130.2 Å²	130.2	88%	0.878	73%	0.731	S	S	*	*			trans	-123.6	114.4	163.1	-105.6	-85.6	0	0	0	110	A22	A22-Y24 PolarHBondContact O-N 3.44Å; A22-Y24 VanDerWaalsContact O-N 3.11Å
25	G	33.6	Very low	37.1	Very low	66 Å²	66	129.6 Å²	129.6	68%	0.68	72%	0.723	S	S	*	*			trans	67.8	102.2	138.3	0	0	0	0	0	118.1	R27	G25-R27 PolarHBondContact O-N 3.1Å
26	K	32.5	Very low	37.8	Very low	209 Å²	209	127.5 Å²	127.5	91%	0.909	72%	0.715	S	S	*	*	S	Bend	trans	-41.3	97.5	158.7	-75.3	172.7	171.2	174.7	0	112.1
27	R	37.5	Very low	38.4	Very low	234 Å²	234	131 Å²	131	88%	0.883	71%	0.713	S	S	*	*	S	Bend	trans	-163.4	-4.5	155.1	-119.7	169.6	165.2	167.9	-5.3	119.1	G25	G25-R27 PolarHBondContact O-N 3.1Å
28	N	37.7	Very low	39.1	Very low	115 Å²	115	128.4 Å²	128.4	62%	0.615	70%	0.7	S	S	*	*			trans	-125.9	21.4	-174.5	-78.8	-11.3	0	0	0	116.2	S30 I31	N28-S30 PolarHBondContact O-N 2.87Å; N28-I31 PolarHBondContact O-N 3.41Å
29	V	40.6	Very low	39.9	Very low	114 Å²	114	129 Å²	129	69%	0.691	70%	0.697	S	S	*	*	H	α-helix	trans	-67	-16.7	-175.3	179.6	0	0	0	0	113.6
30	S	44.1	Very low	40.5	Very low	90 Å²	90	125.6 Å²	125.6	63%	0.629	68%	0.679	S	S	*	*	H	α-helix	trans	-79.7	-21.3	177.8	70.5	0	0	0	0	114.4	N28	N28-S30 PolarHBondContact O-N 2.87Å
31	I	42.6	Very low	41.2	Very low	98 Å²	98	128.8 Å²	128.8	50%	0.503	68%	0.677	S	S	.	*	H	α-helix	trans	-80.4	-32.5	-177.7	-62.4	172.3	0	0	0	111	N28 Q34 L35	N28-I31 PolarHBondContact O-N 3.41Å; I31-Q34 PolarHBondContact O-N 3.45Å; I31-L35 HydrophobicContact CG2-CD1 4.14Å; I31-L35 PolarHBondContact O-N 3.31Å; I31-L35 VanDerWaalsContact O-N 3.11Å
32	L	41.8	Very low	41.9	Very low	128 Å²	128	128.2 Å²	128.2	67%	0.67	66%	0.664	S	S	*	*	H	α-helix	trans	-69.7	-29.9	175.5	-89.4	152.5	0	0	0	113	G36	L32-G36 PolarHBondContact O-N 3.31Å
33	V	45.2	Very low	42.3	Very low	100 Å²	100	130 Å²	130	61%	0.606	65%	0.652	S	S	*	*	H	α-helix	trans	-73.8	-31	175.5	177.9	0	0	0	0	111.5
34	Q	46.9	Very low	42.9	Very low	142 Å²	142	132.1 Å²	132.1	66%	0.664	65%	0.646	S	S	*	*	H	α-helix	trans	-75.4	-36.2	175.5	-138.6	90.7	-13.4	0	0	112.2	I31 R37	I31-Q34 PolarHBondContact O-N 3.45Å; Q34-R37 PolarHBondContact O-N 3.38Å
35	L	47.8	Very low	43.6	Very low	104 Å²	104	126.9 Å²	126.9	55%	0.545	63%	0.632	S	S	.	*	H	α-helix	trans	-69.1	-36.8	174.4	-90.1	153.9	0	0	0	112.7	I31 R37 N38 L39	I31-L35 HydrophobicContact CG2-CD1 4.14Å; I31-L35 PolarHBondContact O-N 3.31Å; I31-L35 VanDerWaalsContact O-N 3.11Å; L35-R37 VanDerWaalsContact C-N 3.25Å; L35-R37 PolarHBondContact O-N 3.38Å; L35-N38 PolarHBondContact O-N 3.34Å; L35-L39 PolarHBondContact O-N 3.46Å
36	G	49.2	Very low	44.2	Very low	36 Å²	36	127.2 Å²	127.2	37%	0.371	62%	0.621	S	S	.	*	H	α-helix	trans	-65	-24.9	175.6	0	0	0	0	0	114.2	L32	L32-G36 PolarHBondContact O-N 3.31Å
37	R	46.5	Very low	44.7	Very low	197 Å²	197	121.8 Å²	121.8	74%	0.743	60%	0.601	S	S	*	*	H	α-helix	trans	-80.5	-24	-178.2	-143.4	171.8	-177.6	168.3	-0.2	113.4	Q34 L35	Q34-R37 PolarHBondContact O-N 3.38Å; L35-R37 VanDerWaalsContact C-N 3.25Å; L35-R37 PolarHBondContact O-N 3.38Å
38	N	48.1	Very low	44.9	Very low	115 Å²	115	113.3 Å²	113.3	62%	0.615	59%	0.587	S	S	*	*	H	α-helix	trans	-91.5	-22.4	176.5	-74	-16.5	0	0	0	113.3	L35 L40 R41	L35-N38 PolarHBondContact O-N 3.34Å; N38-L40 VanDerWaalsContact C-N 3.27Å; N38-L40 PolarHBondContact O-N 3.48Å; N38-R41 PolarHBondContact O-N 3.03Å
39	L	50.2	Low	45.2	Very low	117 Å²	117	111.7 Å²	111.7	61%	0.613	58%	0.584	S	S	*	*	H	α-helix	trans	-65.8	-26.3	171.8	-100.9	148.3	0	0	0	113.3	L35 R41 V42	L35-L39 PolarHBondContact O-N 3.46Å; L39-R41 PolarHBondContact O-N 3.09Å; L39-V42 PolarHBondContact O-N 2.92Å
40	L	44.9	Very low	45.4	Very low	107 Å²	107	113.4 Å²	113.4	56%	0.56	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-14.2	176.2	-79.5	159.1	0	0	0	114.1	N38	N38-L40 VanDerWaalsContact C-N 3.27Å; N38-L40 PolarHBondContact O-N 3.48Å
41	R	46.5	Very low	45.4	Very low	188 Å²	188	115.4 Å²	115.4	71%	0.709	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-17.1	176.8	-76.7	-176	173.9	175.4	-1.7	114.2	N38 L39 R43 Y44	N38-R41 PolarHBondContact O-N 3.03Å; L39-R41 PolarHBondContact O-N 3.09Å; R41-R43 PolarHBondContact O-N 2.99Å; R41-Y44 PolarHBondContact O-N 3.03Å
42	V	46.9	Very low	45	Very low	81 Å²	81	112.9 Å²	112.9	49%	0.491	60%	0.595	S	S	.	*	H	α-helix	trans	-66.5	-27.4	177.5	-177.9	0	0	0	0	111.5	L39 Y44 I45	L39-V42 PolarHBondContact O-N 2.92Å; V42-Y44 PolarHBondContact O-N 3.33Å; V42-I45 PolarHBondContact O-N 3.29Å; V42-I45 VanDerWaalsContact O-N 3.13Å
43	R	40.1	Very low	44.6	Very low	125 Å²	125	110.2 Å²	110.2	47%	0.472	60%	0.598	S	S	.	*	H	α-helix	trans	-61.9	-24.9	178.5	-146.9	177.2	-172.5	-170.2	-0.3	113.9	R41 I47 W763	R41-R43 PolarHBondContact O-N 2.99Å; R43-I47 WeakPolarHBondContact O-CD1 3.18Å; R43-W763 HydrophobicContact CG-CH2 4.44Å
44	Y	43.7	Very low	44.3	Very low	184 Å²	184	109 Å²	109	72%	0.722	61%	0.606	S	S	*	*	H	α-helix	trans	-90.3	-19.8	178.1	-75.4	-84.1	0	0	0	113.3	R41 V42 G48	R41-Y44 PolarHBondContact O-N 3.03Å; V42-Y44 PolarHBondContact O-N 3.33Å; Y44-G48 PolarHBondContact O-N 3.4Å
45	I	49.7	Very low	44.1	Very low	114 Å²	114	109.5 Å²	109.5	59%	0.585	61%	0.612	S	S	*	*	H	α-helix	trans	-77.8	-30.3	-179.4	-63	173.7	0	0	0	111.1	V42 S49	V42-I45 PolarHBondContact O-N 3.29Å; V42-I45 VanDerWaalsContact O-N 3.13Å; I45-S49 PolarHBondContact O-N 2.71Å; I45-S49 PolarHBondContact O-OG 3.14Å
46	V	47	Very low	44.2	Very low	73 Å²	73	109 Å²	109	44%	0.442	61%	0.614	S	S	.	*	H	α-helix	trans	-76.9	-24.7	176.3	-178.1	0	0	0	0	112.2	S49	V46-S49 WeakPolarHBondContact CA-OG 3.42Å; V46-S49 PolarHBondContact O-OG 3.02Å
47	I	43	Very low	43.9	Very low	95 Å²	95	112 Å²	112	49%	0.487	62%	0.624	S	S	.	*	H	α-helix	trans	-83.6	-30.3	176.8	-62.8	172.4	0	0	0	111.2	R43	R43-I47 WeakPolarHBondContact O-CD1 3.18Å
48	G	41.2	Very low	44	Very low	57 Å²	57	106.2 Å²	106.2	59%	0.588	61%	0.614	S	S	*	*	H	α-helix	trans	-77.3	-19.7	175.6	0	0	0	0	0	115	Y44	Y44-G48 PolarHBondContact O-N 3.4Å
49	S	44.4	Very low	44.2	Very low	81 Å²	81	107.5 Å²	107.5	57%	0.566	62%	0.616	S	S	*	*	S	Bend	trans	-93.6	-7.7	-177	42.9	0	0	0	0	114.4	I45 V46	I45-S49 PolarHBondContact O-N 2.71Å; I45-S49 PolarHBondContact O-OG 3.14Å; V46-S49 WeakPolarHBondContact CA-OG 3.42Å; V46-S49 PolarHBondContact O-OG 3.02Å
50	L	43.9	Very low	44.2	Very low	149 Å²	149	105.8 Å²	105.8	78%	0.78	61%	0.611	S	S	*	*	S	Bend	trans	-100.4	-8.3	179.8	-127.9	112.6	0	0	0	113.7
51	V	44.3	Very low	44.5	Very low	132 Å²	132	105.1 Å²	105.1	80%	0.8	61%	0.611	S	S	*	*	S	Bend	trans	-116.1	-10.8	-174	-177.3	0	0	0	0	113.2
52	G	34.3	Very low	44.6	Very low	45 Å²	45	102.1 Å²	102.1	46%	0.464	61%	0.605	S	S	.	*	S	Bend	trans	-134.7	112.4	-178.8	0	0	0	0	0	112.5	G54	G52-G54 PolarHBondContact O-N 3.31Å
53	G	33.4	Very low	44.9	Very low	72 Å²	72	100.7 Å²	100.7	74%	0.742	60%	0.599	S	S	*	*			trans	-54.7	122.3	-174.7	0	0	0	0	0	115.3	I55	G53-I55 VanDerWaalsContact C-N 3.31Å; G53-I55 PolarHBondContact O-N 3.28Å
54	G	38	Very low	45.4	Very low	75 Å²	75	103.6 Å²	103.6	77%	0.773	61%	0.61	S	S	*	*	S	Bend	trans	65.6	-23.9	131.5	0	0	0	0	0	121.9	G52	G52-G54 PolarHBondContact O-N 3.31Å
55	I	43.9	Very low	45.5	Very low	152 Å²	152	102.8 Å²	102.8	78%	0.779	61%	0.61	S	S	*	*	S	Bend	trans	-108.7	-9.6	-162.2	-59.2	175.8	0	0	0	113.8	G53	G53-I55 VanDerWaalsContact C-N 3.31Å; G53-I55 PolarHBondContact O-N 3.28Å
56	T	49.1	Very low	45.5	Very low	95 Å²	95	104.2 Å²	104.2	58%	0.583	62%	0.619	S	S	*	*	S	Bend	trans	-101.6	2.2	-171.4	53.1	0	0	0	0	115.9	T60	T56-T60 PolarHBondContact O-OG1 3.41Å
57	V	44	Very low	45.6	Very low	97 Å²	97	108.9 Å²	108.9	59%	0.588	63%	0.633	S	S	*	*	H	α-helix	trans	-79.4	-31.9	-173.7	179.6	0	0	0	0	113.3	T60 V61	V57-T60 PolarHBondContact O-OG1 3.4Å; V57-V61 HydrophobicContact CG1-CG2 4.45Å; V57-V61 VanDerWaalsContact O-CG2 3.26Å; V57-V61 WeakPolarHBondContact O-CG2 3.39Å; V57-V61 PolarHBondContact O-N 3.08Å
58	S	47.3	Very low	45.5	Very low	76 Å²	76	110.4 Å²	110.4	53%	0.531	64%	0.641	S	S	.	*	H	α-helix	trans	-74.7	-35.6	-176.3	73.4	0	0	0	0	113.4	V61 Q62	S58-V61 PolarHBondContact O-N 3.47Å; S58-Q62 PolarHBondContact O-N 3.5Å; S58-Q62 VanDerWaalsContact O-N 3.15Å; S58-Q62 PolarHBondContact O-OE1 2.91Å
59	Q	51.5	Low	45.2	Very low	143 Å²	143	112.3 Å²	112.3	67%	0.668	64%	0.643	S	S	*	*	H	α-helix	trans	-72.5	-32.6	-179	-69.1	179.1	-18.5	0	0	112.5	S63	Q59-S63 PolarHBondContact O-N 3.35Å
60	T	50.5	Low	45	Very low	80 Å²	80	115.9 Å²	115.9	49%	0.491	66%	0.656	S	S	.	*	H	α-helix	trans	-73.9	-36.3	176.3	31.1	0	0	0	0	111.9	T56 V57 S63 W64	T56-T60 PolarHBondContact O-OG1 3.41Å; V57-T60 PolarHBondContact O-OG1 3.4Å; T60-S63 PolarHBondContact O-OG 3.13Å; T60-W64 VanDerWaalsContact O-CD1 3.3Å; T60-W64 PolarHBondContact O-N 3.33Å
61	V	51.5	Low	44.8	Very low	93 Å²	93	116 Å²	116	56%	0.564	65%	0.651	S	S	*	*	H	α-helix	trans	-68.7	-37.8	175.6	171.7	0	0	0	0	112.4	V57 S58 W64 K65	V57-V61 HydrophobicContact CG1-CG2 4.45Å; V57-V61 VanDerWaalsContact O-CG2 3.26Å; V57-V61 WeakPolarHBondContact O-CG2 3.39Å; V57-V61 PolarHBondContact O-N 3.08Å; S58-V61 PolarHBondContact O-N 3.47Å; V61-W64 PolarHBondContact O-N 3.03Å; V61-K65 PolarHBondContact O-N 3.12Å
62	Q	48.7	Very low	44.6	Very low	125 Å²	125	116.7 Å²	116.7	58%	0.584	65%	0.65	S	S	*	*	H	α-helix	trans	-69.6	-40.6	175.5	-84	166	-36.4	0	0	112.5	S58 W64 K65 D66	S58-Q62 PolarHBondContact O-N 3.5Å; S58-Q62 VanDerWaalsContact O-N 3.15Å; S58-Q62 PolarHBondContact O-OE1 2.91Å; Q62-W64 PolarHBondContact O-N 2.68Å; Q62-K65 WeakPolarHBondContact O-CB 3.47Å; Q62-K65 PolarHBondContact O-N 3.18Å; Q62-D66 PolarHBondContact O-N 2.85Å
63	S	54.2	Low	45.3	Very low	52 Å²	52	123.8 Å²	123.8	36%	0.364	66%	0.663	S	S	.	*	H	α-helix	trans	-67.7	-21.1	176.2	75.5	0	0	0	0	114.8	Q59 T60	Q59-S63 PolarHBondContact O-N 3.35Å; T60-S63 PolarHBondContact O-OG 3.13Å
64	W	50.1	Low	45.7	Very low	185 Å²	185	125.5 Å²	125.5	70%	0.701	66%	0.655	S	S	*	*	H	α-helix	trans	-81	-27.4	172.4	-94.4	60.6	0	0	0	112.3	T60 V61 Q62 D66 K67	T60-W64 VanDerWaalsContact O-CD1 3.3Å; T60-W64 PolarHBondContact O-N 3.33Å; V61-W64 PolarHBondContact O-N 3.03Å; Q62-W64 PolarHBondContact O-N 2.68Å; W64-D66 VanDerWaalsContact C-N 3.34Å; W64-K67 PolarHBondContact O-N 3.28Å
65	K	45.2	Very low	46.1	Very low	168 Å²	168	127.1 Å²	127.1	73%	0.73	65%	0.649	S	S	*	*	H	α-helix	trans	-71.1	-29.9	180	-147.9	177.6	-177.4	-174.5	0	112.3	V61 Q62 K67	V61-K65 PolarHBondContact O-N 3.12Å; Q62-K65 WeakPolarHBondContact O-CB 3.47Å; Q62-K65 PolarHBondContact O-N 3.18Å; K65-K67 VanDerWaalsContact C-N 3.3Å; K65-K67 PolarHBondContact O-N 3.32Å
66	D	49.8	Very low	46.1	Very low	144 Å²	144	126.6 Å²	126.6	77%	0.77	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	2.7	179.9	-61.2	-25.4	0	0	0	114.2	Q62 W64	Q62-D66 PolarHBondContact O-N 2.85Å; W64-D66 VanDerWaalsContact C-N 3.34Å
67	K	49.4	Very low	45.9	Very low	170 Å²	170	130.4 Å²	130.4	74%	0.739	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	7.5	-171.9	-71	-176.8	-179.2	175.9	0	115.2	W64 K65	W64-K67 PolarHBondContact O-N 3.28Å; K65-K67 VanDerWaalsContact C-N 3.3Å; K65-K67 PolarHBondContact O-N 3.32Å
68	L	40.6	Very low	45.7	Very low	127 Å²	127	135.9 Å²	135.9	67%	0.665	67%	0.67	S	S	*	*	S	Bend	trans	-115.5	126.4	179.9	-80.2	163.8	0	0	0	111
69	P	35.9	Very low	45.1	Very low	97 Å²	97	137.5 Å²	137.5	63%	0.63	68%	0.678	S	S	*	*			trans	-72.8	142.7	-179.4	28.9	-32.2	0	0	0	112.4	F71	P69-F71 WeakPolarHBondContact O-CD2 3.36Å
70	D	39.3	Very low	44.7	Very low	156 Å²	156	137.1 Å²	137.1	83%	0.834	68%	0.681	S	S	*	*			trans	-60.7	130.6	-174.3	-66.8	-45.2	0	0	0	113.5
71	F	38.7	Very low	44.4	Very low	152 Å²	152	137.4 Å²	137.4	67%	0.667	69%	0.686	S	S	*	*			trans	-116.1	95.5	173	-82.5	-75.2	0	0	0	109.7	P69 W73 L74	P69-F71 WeakPolarHBondContact O-CD2 3.36Å; F71-W73 AromaticContact CD1-CD1 4Å; F71-W73 AromaticContact CD1-NE1 3.91Å; F71-W73 PolarHBondContact O-N 3Å; F71-L74 PolarHBondContact O-N 2.99Å
72	D	40.7	Very low	44.3	Very low	147 Å²	147	138.5 Å²	138.5	79%	0.786	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	5.7	-179.7	-89.5	-22.6	0	0	0	116.6	T75	D72-T75 PolarHBondContact O-OG1 3.11Å
73	W	50.2	Low	44	Very low	193 Å²	193	137 Å²	137	73%	0.731	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-5.6	-178.1	73	-85.9	0	0	0	113.8	F71	F71-W73 AromaticContact CD1-CD1 4Å; F71-W73 AromaticContact CD1-NE1 3.91Å; F71-W73 PolarHBondContact O-N 3Å
74	L	40.6	Very low	43.3	Very low	109 Å²	109	140.4 Å²	140.4	57%	0.571	70%	0.704	S	S	*	*	S	Bend	trans	-102.1	12.1	-175.4	-132.9	106.2	0	0	0	113.8	F71	F71-L74 PolarHBondContact O-N 2.99Å
75	T	45.9	Very low	43.1	Very low	108 Å²	108	136.4 Å²	136.4	66%	0.663	70%	0.696	S	S	*	*	S	Bend	trans	-91	-8.8	-171.7	33.3	0	0	0	0	114.9	D72	D72-T75 PolarHBondContact O-OG1 3.11Å
76	D	45.6	Very low	43.3	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	70%	0.695	S	S	*	*	S	Bend	trans	-99.1	-5.4	-172.6	-81	-19.4	0	0	0	116.1
77	H	44.8	Very low	42.8	Very low	175 Å²	175	137.5 Å²	137.5	81%	0.81	69%	0.69	S	S	*	*	S	Bend	trans	-136.6	19.3	-168.4	-72.7	75.4	0	0	0	115.9
78	W	40	Very low	42.7	Very low	212 Å²	212	133.2 Å²	133.2	80%	0.803	68%	0.675	S	S	*	*			trans	-119.9	120	179.3	-149.4	-92	0	0	0	113.9
79	P	34.9	Very low	43.1	Very low	109 Å²	109	133.9 Å²	133.9	71%	0.708	67%	0.674	S	S	*	*			trans	-70.2	144.9	177.4	-12.8	27	0	0	0	113.6
80	N	41.5	Very low	43.5	Very low	135 Å²	135	138 Å²	138	72%	0.722	68%	0.679	S	S	*	*			trans	-42.1	142.3	-170.1	-73.2	-21.1	0	0	0	118.9	D82	N80-D82 VanDerWaalsContact C-N 3.26Å; N80-D82 PolarHBondContact O-N 3.18Å; N80-D82 VanDerWaalsContact O-N 3.11Å
81	S	45.5	Very low	43.9	Very low	87 Å²	87	133.5 Å²	133.5	61%	0.608	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-7	-174.1	59.7	0	0	0	0	117.3
82	D	48.2	Very low	44.2	Very low	116 Å²	116	133.4 Å²	133.4	62%	0.62	66%	0.656	S	S	*	*	H	α-helix	trans	-85.6	-19.7	-174.3	-69	-20.5	0	0	0	113.5	N80	N80-D82 VanDerWaalsContact C-N 3.26Å; N80-D82 PolarHBondContact O-N 3.18Å; N80-D82 VanDerWaalsContact O-N 3.11Å
83	S	43.7	Very low	44.3	Very low	94 Å²	94	131.5 Å²	131.5	66%	0.657	65%	0.646	S	S	*	*	H	α-helix	trans	-79	-25.2	179.1	-48.3	0	0	0	0	112.4
84	M	39.6	Very low	44	Very low	123 Å²	123	126.2 Å²	126.2	61%	0.606	63%	0.631	S	S	*	*	H	α-helix	trans	-83.8	-32.2	-177.3	-136.6	162.3	76.5	0	0	112	Y87 I88	M84-Y87 PolarHBondContact O-N 3.32Å; M84-I88 WeakPolarHBondContact O-CD1 3.42Å; M84-I88 VanDerWaalsContact O-CG1 3.29Å; M84-I88 WeakPolarHBondContact O-CG1 3.46Å; M84-I88 PolarHBondContact O-N 2.74Å; M84-I88 VanDerWaalsContact O-N 3.14Å
85	N	45.7	Very low	43.7	Very low	100 Å²	100	125.6 Å²	125.6	54%	0.535	63%	0.634	S	S	.	*	H	α-helix	trans	-67.7	-36.2	175.4	-75.4	-22.3	0	0	0	112.4	Y87 I88 E89	N85-Y87 VanDerWaalsContact C-N 3.32Å; N85-Y87 PolarHBondContact O-N 3.06Å; N85-I88 PolarHBondContact O-N 3.05Å; N85-E89 WeakPolarHBondContact O-CB 3.49Å; N85-E89 PolarHBondContact O-N 3.06Å
86	K	48.7	Very low	43.3	Very low	163 Å²	163	123.5 Å²	123.5	71%	0.709	63%	0.628	S	S	*	*	H	α-helix	trans	-64.6	-32.6	173.9	-81.4	-179.9	176.3	174.7	0	113.6	Y90	K86-Y90 WeakPolarHBondContact O-CB 3.49Å; K86-Y90 PolarHBondContact O-N 3.03Å; K86-Y90 VanDerWaalsContact O-N 3.14Å
87	Y	39.7	Very low	42.9	Very low	172 Å²	172	120.9 Å²	120.9	68%	0.675	62%	0.616	S	S	*	*	H	α-helix	trans	-78.9	-32.4	179.2	-146.2	-92.6	0	0	0	112.1	M84 N85 T91	M84-Y87 PolarHBondContact O-N 3.32Å; N85-Y87 VanDerWaalsContact C-N 3.32Å; N85-Y87 PolarHBondContact O-N 3.06Å; Y87-T91 HydrophobicContact CD1-CG2 4.33Å; Y87-T91 HydrophobicContact CE1-CG2 4.43Å; Y87-T91 WeakPolarHBondContact O-CB 3.12Å; Y87-T91 VanDerWaalsContact O-CG2 3.24Å; Y87-T91 WeakPolarHBondContact O-CG2 3.3Å; Y87-T91 PolarHBondContact O-N 3.25Å; Y87-T91 PolarHBondContact O-OG1 2.89Å
88	I	47.2	Very low	42.4	Very low	80 Å²	80	119 Å²	119	41%	0.41	61%	0.611	S	S	.	*	H	α-helix	trans	-75.5	-28.1	175.8	-67.2	166.7	0	0	0	111.6	M84 N85 T91 K92	M84-I88 WeakPolarHBondContact O-CD1 3.42Å; M84-I88 VanDerWaalsContact O-CG1 3.29Å; M84-I88 WeakPolarHBondContact O-CG1 3.46Å; M84-I88 PolarHBondContact O-N 2.74Å; M84-I88 VanDerWaalsContact O-N 3.14Å; N85-I88 PolarHBondContact O-N 3.05Å; I88-T91 WeakPolarHBondContact CA-OG1 3.06Å; I88-T91 PolarHBondContact O-OG1 3.49Å; I88-K92 WeakPolarHBondContact O-CG 3.3Å
89	E	48	Very low	42.2	Very low	141 Å²	141	117.4 Å²	117.4	66%	0.659	61%	0.612	S	S	*	*	H	α-helix	trans	-78.4	-39.8	174.8	-155	167.4	-149.5	0	0	111.6	N85 T91 K92	N85-E89 WeakPolarHBondContact O-CB 3.49Å; N85-E89 PolarHBondContact O-N 3.06Å; E89-T91 VanDerWaalsContact C-N 3.27Å; E89-T91 PolarHBondContact O-N 2.97Å; E89-K92 PolarHBondContact O-N 2.99Å
90	Y	45	Very low	42.2	Very low	185 Å²	185	120.5 Å²	120.5	73%	0.725	62%	0.617	S	S	*	*	H	α-helix	trans	-66.7	-25	175.7	-163	-98.5	0	0	0	113.8	K86	K86-Y90 WeakPolarHBondContact O-CB 3.49Å; K86-Y90 PolarHBondContact O-N 3.03Å; K86-Y90 VanDerWaalsContact O-N 3.14Å
91	T	47.5	Very low	41.6	Very low	60 Å²	60	123.4 Å²	123.4	37%	0.368	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.4	-11.8	-178.1	49.3	0	0	0	0	113.8	Y87 I88 E89 I94	Y87-T91 HydrophobicContact CD1-CG2 4.33Å; Y87-T91 HydrophobicContact CE1-CG2 4.43Å; Y87-T91 WeakPolarHBondContact O-CB 3.12Å; Y87-T91 VanDerWaalsContact O-CG2 3.24Å; Y87-T91 WeakPolarHBondContact O-CG2 3.3Å; Y87-T91 PolarHBondContact O-N 3.25Å; Y87-T91 PolarHBondContact O-OG1 2.89Å; I88-T91 WeakPolarHBondContact CA-OG1 3.06Å; I88-T91 PolarHBondContact O-OG1 3.49Å; E89-T91 VanDerWaalsContact C-N 3.27Å; E89-T91 PolarHBondContact O-N 2.97Å; T91-I94 HydrophobicContact CG2-CD1 4Å
92	K	44.6	Very low	40.7	Very low	151 Å²	151	122.4 Å²	122.4	66%	0.657	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-21.6	175.3	-83.6	175	179.7	180	0	114	I88 E89 P95	I88-K92 WeakPolarHBondContact O-CG 3.3Å; E89-K92 PolarHBondContact O-N 2.99Å; K92-P95 WeakPolarHBondContact O-CD 3.31Å
93	D	44.6	Very low	39.7	Very low	107 Å²	107	128 Å²	128	57%	0.572	63%	0.634	S	S	*	*	S	Bend	trans	-91.7	-11.3	179.9	-69.8	-23.8	0	0	0	113.7	A96 V97	D93-A96 PolarHBondContact O-N 2.94Å; D93-V97 VanDerWaalsContact O-CG2 3.23Å; D93-V97 WeakPolarHBondContact O-CG2 3.18Å; D93-V97 PolarHBondContact O-N 3.12Å; D93-V97 VanDerWaalsContact O-N 3.14Å
94	I	43.3	Very low	39	Very low	82 Å²	82	131.6 Å²	131.6	42%	0.421	64%	0.64	S	S	.	*	H	α-helix	trans	-64.5	-36.5	-176.5	-60.4	179.4	0	0	0	112.9	T91 I98	T91-I94 HydrophobicContact CG2-CD1 4Å; I94-I98 HydrophobicContact CG2-CD1 3.83Å; I94-I98 VanDerWaalsContact O-CD1 3.32Å; I94-I98 WeakPolarHBondContact O-CD1 3.31Å; I94-I98 VanDerWaalsContact O-CG1 3.3Å; I94-I98 WeakPolarHBondContact O-CG1 3.26Å
95	P	34.9	Very low	38.5	Very low	95 Å²	95	133.6 Å²	133.6	62%	0.617	65%	0.646	S	S	*	*	H	α-helix	trans	-74.9	-21.3	177.3	-15.7	31.1	0	0	0	114.4	K92	K92-P95 WeakPolarHBondContact O-CD 3.31Å
96	A	37.4	Very low	37.9	Very low	65 Å²	65	136.7 Å²	136.7	54%	0.537	66%	0.662	S	S	.	*	H	α-helix	trans	-91.4	-24	-179.9	0	0	0	0	0	112.9	D93	D93-A96 PolarHBondContact O-N 2.94Å
97	V	36.7	Very low	37.2	Very low	87 Å²	87	137.9 Å²	137.9	53%	0.527	67%	0.67	S	S	.	*	H	α-helix	trans	-83.2	-21.9	179.9	172.2	0	0	0	0	112.9	D93	D93-V97 VanDerWaalsContact O-CG2 3.23Å; D93-V97 WeakPolarHBondContact O-CG2 3.18Å; D93-V97 PolarHBondContact O-N 3.12Å; D93-V97 VanDerWaalsContact O-N 3.14Å
98	I	34.7	Very low	36.8	Very low	136 Å²	136	140.4 Å²	140.4	70%	0.697	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-14.3	-178	-67.7	171.7	0	0	0	112.7	I94	I94-I98 HydrophobicContact CG2-CD1 3.83Å; I94-I98 VanDerWaalsContact O-CD1 3.32Å; I94-I98 WeakPolarHBondContact O-CD1 3.31Å; I94-I98 VanDerWaalsContact O-CG1 3.3Å; I94-I98 WeakPolarHBondContact O-CG1 3.26Å
99	Q	34.8	Very low	36.1	Very low	178 Å²	178	143.9 Å²	143.9	83%	0.832	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-2	-176.9	-127.9	174	5.7	0	0	114.7
100	Q	34.3	Very low	35.4	Very low	173 Å²	173	149.4 Å²	149.4	81%	0.808	71%	0.712	S	S	*	*	S	Bend	trans	-134.6	6	-166.4	-108.7	-169.9	2.1	0	0	118.3
101	R	28.9	Very low	34.8	Very low	197 Å²	197	145 Å²	145	74%	0.743	71%	0.708	S	S	*	*			trans	-128.1	66.8	-172.5	-127.5	174.4	-173.5	163.6	2.5	115.7
102	G	27	Very low	34.2	Very low	66 Å²	66	150.2 Å²	150.2	68%	0.68	73%	0.734	S	S	*	*			trans	-91.1	135.8	145	0	0	0	0	0	109.4
103	R	26.8	Very low	33.5	Very low	232 Å²	232	146.6 Å²	146.6	88%	0.875	74%	0.739	S	S	*	*	S	Bend	trans	87.5	121.7	176.5	-48.8	-179.2	-158.5	-177.2	5.1	116.5
104	H	30.8	Very low	32.8	Very low	170 Å²	170	151.4 Å²	151.4	79%	0.787	76%	0.755	S	S	*	*			trans	85.5	94.9	163.9	-60.8	-9.1	0	0	0	120.2
105	F	28.8	Very low	32.3	Very low	165 Å²	165	155.9 Å²	155.9	72%	0.724	78%	0.776	S	S	*	*			trans	-155.2	26.9	154.8	-153.5	-105.4	0	0	0	116.3	L109	F105-L109 HydrophobicContact CE1-CD1 4.37Å
106	N	33.1	Very low	32.1	Very low	165 Å²	165	156.1 Å²	156.1	88%	0.882	79%	0.786	S	S	*	*	S	Bend	trans	-105.1	14.3	179.2	-149.4	11.1	0	0	0	115.4
107	E	34.2	Very low	31.7	Very low	188 Å²	188	161.4 Å²	161.4	88%	0.879	81%	0.805	S	S	*	*	S	Bend	trans	-115.9	12.9	-171.4	-79.7	-174.2	158.6	0	0	115.9
108	R	29.9	Very low	31.5	Very low	226 Å²	226	161.5 Å²	161.5	85%	0.853	81%	0.809	S	S	*	*	S	Bend	trans	-135.7	9.1	-170.9	-117.2	175.8	178.1	162.1	-0.5	119.7
109	L	33.6	Very low	31.5	Very low	152 Å²	152	164.5 Å²	164.5	80%	0.796	81%	0.813	S	S	*	*	S	Bend	trans	-137.3	31.4	-173.9	-94.9	160.8	0	0	0	115.9	F105	F105-L109 HydrophobicContact CE1-CD1 4.37Å
110	R	32.5	Very low	31.4	Very low	258 Å²	258	161.1 Å²	161.1	97%	0.974	80%	0.804	S	S	*	*	S	Bend	trans	-126.7	18.9	174.7	-134.7	177.2	-177.8	167.9	-0.1	116.2
111	S	33.2	Very low	31.2	Very low	92 Å²	92	155.7 Å²	155.7	64%	0.643	80%	0.795	S	S	*	*	S	Bend	trans	-109.8	127.2	161.7	59	0	0	0	0	108.5
112	N	34.2	Very low	31.6	Very low	170 Å²	170	152.4 Å²	152.4	91%	0.909	79%	0.792	S	S	*	*	S	Bend	trans	107.2	82.1	178.7	-54	-17.6	0	0	0	113.8
113	G	28.9	Very low	31.8	Very low	74 Å²	74	158.9 Å²	158.9	76%	0.763	80%	0.796	S	S	*	*			trans	-174.6	8.6	169.7	0	0	0	0	0	115.2	M115	G113-M115 PolarHBondContact O-N 3.4Å; G113-M115 VanDerWaalsContact O-N 3.16Å
114	K	30.1	Very low	32	Very low	208 Å²	208	154.8 Å²	154.8	90%	0.904	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	88.7	168	-70.2	180	177.3	179.9	0	108.2
115	M	33.8	Very low	32	Very low	177 Å²	177	151.4 Å²	151.4	87%	0.872	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.5	9	167.3	-104.8	-67.2	-95.7	0	0	115.2	G113	G113-M115 PolarHBondContact O-N 3.4Å; G113-M115 VanDerWaalsContact O-N 3.16Å
116	A	29.6	Very low	32.2	Very low	100 Å²	100	147.1 Å²	147.1	83%	0.826	78%	0.777	S	S	*	*			trans	-124.2	41.5	-178.8	0	0	0	0	0	112.5
117	L	30.3	Very low	32.1	Very low	176 Å²	176	149.8 Å²	149.8	92%	0.921	78%	0.781	S	S	*	*			trans	-126.2	44.2	-172.8	-134	160.5	0	0	0	110.4
118	S	32.2	Very low	32.1	Very low	88 Å²	88	150.7 Å²	150.7	62%	0.615	78%	0.782	S	S	*	*	S	Bend	trans	-137.9	10.6	-175.9	59.2	0	0	0	0	116.3
119	Y	34.1	Very low	32.3	Very low	200 Å²	200	144.9 Å²	144.9	78%	0.784	77%	0.773	S	S	*	*	S	Bend	trans	-128.7	-2.5	180	-96.8	-86.2	0	0	0	115.6
120	V	32.5	Very low	32.4	Very low	107 Å²	107	145.1 Å²	145.1	65%	0.648	78%	0.776	S	S	*	*	S	Bend	trans	-98.7	-9.8	-179.2	-175.1	0	0	0	0	111.9
121	G	31.7	Very low	32.3	Very low	59 Å²	59	138.8 Å²	138.8	61%	0.608	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-26.7	176.6	0	0	0	0	0	114.9
122	D	35.6	Very low	32.1	Very low	127 Å²	127	141.5 Å²	141.5	68%	0.679	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-20.6	-178.4	-70.5	-26	0	0	0	113.1	S125	D122-S125 PolarHBondContact O-OG 3.19Å
123	W	32.5	Very low	31.9	Very low	203 Å²	203	139.6 Å²	139.6	77%	0.769	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-77.8	-25.1	177.9	-172	68.4	0	0	0	112.8	S125	W123-S125 PolarHBondContact O-N 3.2Å; W123-S125 VanDerWaalsContact O-N 3.16Å
124	L	29.7	Very low	31.9	Very low	145 Å²	145	141.4 Å²	141.4	76%	0.759	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-73.3	5.9	175.1	-91.3	160	0	0	0	114.8
125	S	32.4	Very low	31.8	Very low	99 Å²	99	141.4 Å²	141.4	69%	0.692	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-105.4	7.8	-174.6	70.1	0	0	0	0	115.2	D122 W123	D122-S125 PolarHBondContact O-OG 3.19Å; W123-S125 PolarHBondContact O-N 3.2Å; W123-S125 VanDerWaalsContact O-N 3.16Å
126	S	32.4	Very low	31.5	Very low	76 Å²	76	137.9 Å²	137.9	53%	0.531	76%	0.76	S	S	.	*			trans	-131.6	80.3	-173.6	54.8	0	0	0	0	112.4
127	F	31.4	Very low	31.5	Very low	220 Å²	220	143 Å²	143	97%	0.965	76%	0.764	S	S	*	*			trans	-179.1	127.5	136	-96.8	-70.5	0	0	0	109.7
128	K	33.7	Very low	31.5	Very low	207 Å²	207	138.3 Å²	138.3	90%	0.9	76%	0.758	S	S	*	*			trans	-97	163.6	-166.2	-101.1	-176.2	178.2	176.6	0	113.5
129	P	34.7	Very low	31.3	Very low	104 Å²	104	142.4 Å²	142.4	68%	0.675	77%	0.772	S	S	*	*			trans	-99.7	165.7	-163.9	40	-33.7	0	0	0	113.8
130	D	34.9	Very low	31.1	Very low	158 Å²	158	136.1 Å²	136.1	85%	0.845	77%	0.767	S	S	*	*			trans	-177.8	157.4	134.9	-96.1	-23.5	0	0	0	113.7
131	V	29.4	Very low	30.9	Very low	124 Å²	124	136.9 Å²	136.9	75%	0.752	78%	0.775	S	S	*	*	S	Bend	trans	109.7	86.4	160.8	-166.1	0	0	0	0	116.8
132	L	30.7	Very low	31	Very low	150 Å²	150	140.7 Å²	140.7	79%	0.785	79%	0.786	S	S	*	*			trans	94.6	77.2	139.2	-64.4	168.2	0	0	0	120.2
133	T	28.5	Very low	30.6	Very low	129 Å²	129	140 Å²	140	79%	0.791	79%	0.788	S	S	*	*				-12.4	125.7	125.2	52.6	0	0	0	0	117.8
134	S	30.7	Very low	30.2	Very low	112 Å²	112	135.4 Å²	135.4	78%	0.783	79%	0.786	S	S	*	*				-158	130.8	122.7	50.9	0	0	0	0	111.4
135	F	27.1	Very low	29.9	Very low	208 Å²	208	135.6 Å²	135.6	91%	0.912	79%	0.788	S	S	*	*			trans	79.6	70.7	161.6	-97.6	-100.6	0	0	0	120.3
136	S	27.2	Very low	29.8	Very low	103 Å²	103	136.6 Å²	136.6	72%	0.72	79%	0.79	S	S	*	*			trans	-79.8	142.9	143.5	55.8	0	0	0	0	110.8
137	K	30.7	Very low	29.5	Very low	209 Å²	209	140.2 Å²	140.2	91%	0.909	80%	0.801	S	S	*	*			trans	173.2	114.5	134.2	-97.9	173.2	-177.1	-177.6	0	110.9
138	G	30.3	Very low	29.2	Very low	76 Å²	76	134.9 Å²	134.9	78%	0.784	79%	0.791	S	S	*	*			trans	167.8	49.3	170.5	0	0	0	0	0	113.6
139	L	27.5	Very low	28.8	Very low	175 Å²	175	129.7 Å²	129.7	92%	0.916	78%	0.781	S	S	*	*			trans	-52	150.3	166	-73	107.4	0	0	0	110.6
140	G	29.6	Very low	28.4	Very low	67 Å²	67	133 Å²	133	69%	0.691	79%	0.787	S	S	*	*			cis	-174.6	-168.8	18.9	0	0	0	0	0	112.8
141	P	28.7	Very low	28.1	Very low	123 Å²	123	136.7 Å²	136.7	80%	0.799	79%	0.791	S	S	*	*			trans	-100.9	149.9	-164.5	37.1	-30.7	0	0	0	113.8
142	V	33.1	Very low	28.1	Very low	140 Å²	140	138 Å²	138	85%	0.848	79%	0.793	S	S	*	*			trans	-144.7	129.7	162.6	-172.5	0	0	0	0	110.2
143	P	27.5	Very low	27.9	Very low	111 Å²	111	138.8 Å²	138.8	72%	0.721	80%	0.797	S	S	*	*			trans	-106.2	164.6	173.4	38.3	-29.5	0	0	0	114
144	C	23.7	Very low	27.8	Very low	108 Å²	108	136 Å²	136	73%	0.73	79%	0.794	S	S	*	*			trans	89.1	110	155.9	-64.8	0	0	0	0	121.5
145	N	24.7	Very low	27.7	Very low	148 Å²	148	139 Å²	139	79%	0.791	80%	0.798	S	S	*	*			trans	83.8	141.3	131.9	-62.6	-14.7	0	0	0	121.4
146	V	29.5	Very low	27.7	Very low	121 Å²	121	132.9 Å²	132.9	73%	0.733	79%	0.786	S	S	*	*			trans	106.9	98.9	149.1	-168.6	0	0	0	0	117
147	I	26.3	Very low	27.8	Very low	152 Å²	152	135.5 Å²	135.5	78%	0.779	79%	0.791	S	S	*	*			trans	79.5	114	136.4	-60.1	172.2	0	0	0	120.2
148	S	24.9	Very low	27.7	Very low	107 Å²	107	137 Å²	137	75%	0.748	79%	0.792	S	S	*	*			trans	74.6	148.9	138.4	-162.5	0	0	0	0	121.1
149	S	26	Very low	27.5	Very low	98 Å²	98	138.7 Å²	138.7	69%	0.685	79%	0.793	S	S	*	*			trans	92	73.7	161	76.3	0	0	0	0	118.5
150	H	24.8	Very low	27.6	Very low	173 Å²	173	133.8 Å²	133.8	80%	0.801	78%	0.784	S	S	*	*			trans	-133	73.1	156.5	-80	57	0	0	0	109.6
151	Y	29.5	Very low	27.5	Very low	237 Å²	237	139.6 Å²	139.6	93%	0.929	80%	0.795	S	S	*	*	S	Bend	trans	-141.8	23.7	162.6	-103	-80.2	0	0	0	111.4
152	L	28.6	Very low	27.5	Very low	152 Å²	152	138.5 Å²	138.5	80%	0.796	79%	0.788	S	S	*	*	S	Bend	trans	-135.7	43.7	-175.2	-109.1	160.8	0	0	0	111.1
153	L	27.3	Very low	27.1	Very low	165 Å²	165	139.9 Å²	139.9	86%	0.864	79%	0.785	S	S	*	*	S	Bend	trans	-139.6	29.3	177.6	-147.1	91.7	0	0	0	113.7
154	G	26.3	Very low	27.1	Very low	72 Å²	72	145.8 Å²	145.8	74%	0.742	79%	0.794	S	S	*	*	S	Bend	trans	-134.7	-3.7	170.4	0	0	0	0	0	114.3
155	M	28.1	Very low	27.2	Very low	174 Å²	174	149.4 Å²	149.4	86%	0.857	80%	0.8	S	S	*	*	S	Bend	trans	-111.5	15.2	-172.2	-72.5	-69.4	-76.1	0	0	113.7
156	A	27.5	Very low	27.3	Very low	80 Å²	80	150.4 Å²	150.4	66%	0.661	80%	0.8	S	S	*	*	S	Bend	trans	-129.6	25.4	-172.3	0	0	0	0	0	114.6
157	L	28.3	Very low	27.2	Very low	157 Å²	157	151.8 Å²	151.8	82%	0.822	80%	0.802	S	S	*	*	S	Bend	trans	-124.7	11.1	-179.2	-79.4	174.5	0	0	0	116.3
158	Y	30.3	Very low	27.2	Very low	240 Å²	240	153.2 Å²	153.2	94%	0.941	81%	0.805	S	S	*	*	S	Bend	trans	-135.2	33.3	176	-86.1	-78.8	0	0	0	114.7
159	S	26.4	Very low	27.3	Very low	113 Å²	113	153.8 Å²	153.8	79%	0.79	81%	0.809	S	S	*	*			trans	-130.6	95.3	167.6	61	0	0	0	0	109.8
160	G	28	Very low	27.3	Very low	71 Å²	71	152.7 Å²	152.7	73%	0.732	80%	0.802	S	S	*	*			trans	162.9	105	172.4	0	0	0	0	0	114.2
161	M	28.4	Very low	27.5	Very low	189 Å²	189	156.2 Å²	156.2	93%	0.931	81%	0.81	S	S	*	*			trans	96.1	145.2	150.9	-60.9	-166.9	85.9	0	0	119
162	P	27.8	Very low	27.4	Very low	100 Å²	100	149.6 Å²	149.6	65%	0.649	80%	0.799	S	S	*	*			trans	-116.7	-178.2	-138.6	39.7	-25.2	0	0	0	113.6
163	E	24.8	Very low	27.5	Very low	169 Å²	169	149.9 Å²	149.9	79%	0.79	80%	0.8	S	S	*	*			trans	76.1	91.6	145.3	-151.3	168.4	-147.9	0	0	117.5
164	W	27.6	Very low	27.5	Very low	236 Å²	236	147.2 Å²	147.2	89%	0.894	79%	0.793	S	S	*	*			trans	-152	80.2	146	-74	102.7	0	0	0	109
165	E	25.7	Very low	27.6	Very low	184 Å²	184	152.6 Å²	152.6	86%	0.86	80%	0.802	S	S	*	*			trans	-66.7	152.2	136.3	-84.5	174.9	147.3	0	0	107.3
166	E	26.7	Very low	27.6	Very low	168 Å²	168	148.4 Å²	148.4	79%	0.785	80%	0.796	S	S	*	*			trans	94.8	76	-174.4	-58.9	-175	164.4	0	0	116.5
167	L	28.7	Very low	27.8	Very low	150 Å²	150	153.5 Å²	153.5	79%	0.785	81%	0.806	S	S	*	*			trans	-168.5	51.3	134.7	-102.2	149.5	0	0	0	110.8	S170	L167-S170 WeakPolarHBondContact CD2-OG 3.45Å
168	E	24.8	Very low	28.1	Very low	182 Å²	182	154.7 Å²	154.7	85%	0.85	81%	0.807	S	S	*	*			trans	-75.2	143.2	139.2	-77	-175.6	156.8	0	0	106.9
169	S	26.9	Very low	28.2	Very low	119 Å²	119	151.9 Å²	151.9	83%	0.832	80%	0.8	S	S	*	*			trans	85.7	76.4	178.7	80.1	0	0	0	0	117.7
170	S	27.9	Very low	28.7	Very low	76 Å²	76	152.5 Å²	152.5	53%	0.531	79%	0.794	S	S	.	*			trans	-170.8	54.2	148.2	38	0	0	0	0	113.5	L167	L167-S170 WeakPolarHBondContact CD2-OG 3.45Å
171	Y	28.1	Very low	29	Very low	246 Å²	246	158 Å²	158	97%	0.965	80%	0.798	S	S	*	*			trans	-141.2	78.3	146.2	-77	-73.4	0	0	0	108.4
172	S	28.2	Very low	29.4	Very low	99 Å²	99	154.1 Å²	154.1	69%	0.692	79%	0.787	S	S	*	*			trans	-117.8	161.1	160.3	59.2	0	0	0	0	107.5
173	L	29.8	Very low	29.6	Very low	158 Å²	158	155.6 Å²	155.6	83%	0.827	79%	0.794	S	S	*	*			trans	108.3	140	169.3	-56.6	171.4	0	0	0	114.7
174	P	28.4	Very low	30	Very low	109 Å²	109	153.9 Å²	153.9	71%	0.708	80%	0.795	S	S	*	*				-136.7	145.4	-63.4	27.4	-8.1	0	0	0	110.6
175	I	27.3	Very low	30.2	Very low	184 Å²	184	150 Å²	150	94%	0.944	79%	0.792	S	S	*	*			trans	-127.9	93.8	166.3	-54.7	177.9	0	0	0	108.5
176	A	28.9	Very low	30.8	Very low	87 Å²	87	146.3 Å²	146.3	72%	0.719	78%	0.784	S	S	*	*			trans	-145.7	143.1	159.6	0	0	0	0	0	108
177	E	31.6	Very low	31.1	Very low	186 Å²	186	145.2 Å²	145.2	87%	0.869	79%	0.788	S	S	*	*			trans	88.4	92.8	171.4	-55.1	-177.1	170.6	0	0	117.4
178	E	33.1	Very low	31.6	Very low	182 Å²	182	143.3 Å²	143.3	85%	0.85	78%	0.783	S	S	*	*				166.3	101.4	112.7	-90.2	-174.2	158.5	0	0	109.4
179	F	32.9	Very low	32.4	Very low	182 Å²	182	139.1 Å²	139.1	80%	0.798	77%	0.766	S	S	*	*				81.5	100.4	96	-100.3	-95.4	0	0	0	115.3
180	N	36.6	Very low	33.1	Very low	125 Å²	125	142.1 Å²	142.1	67%	0.668	77%	0.767	S	S	*	*			trans	73.7	111.5	135.4	-78.2	-19.6	0	0	0	122.3
181	K	35.1	Very low	33.9	Very low	188 Å²	188	141.7 Å²	141.7	82%	0.817	77%	0.768	S	S	*	*				88.5	148.2	129.5	-91.8	-175.7	-176.6	179.9	0	118.7
182	P	35.7	Very low	35	Very low	106 Å²	106	134.4 Å²	134.4	69%	0.688	75%	0.746	S	S	*	*				-128.5	-165.4	-101.8	37.6	-19.5	0	0	0	112.6
183	T	33	Very low	36.1	Very low	132 Å²	132	133.1 Å²	133.1	81%	0.81	74%	0.737	S	S	*	*			trans	88.8	101.7	172.5	56.8	0	0	0	0	116.6
184	V	34	Very low	38.1	Very low	132 Å²	132	130.7 Å²	130.7	80%	0.8	72%	0.724	S	S	*	*				176.1	118.4	104.6	163.9	0	0	0	0	106.8
185	N	31	Very low	40.1	Very low	156 Å²	156	129.9 Å²	129.9	83%	0.834	71%	0.714	S	S	*	*			trans	-61.2	143.6	177.7	-67.3	-25.1	0	0	0	111.5
186	P	37.3	Very low	42.1	Very low	105 Å²	105	124.6 Å²	124.6	68%	0.682	69%	0.69	S	S	*	*				-128.5	129.8	129.2	33.5	-22.1	0	0	0	110.8	V188	P186-V188 HydrophobicContact CB-CG2 4.38Å; P186-V188 HydrophobicContact CG-CG2 4.41Å; P186-V188 PolarHBondContact O-N 3.28Å
187	V	34.5	Very low	44	Very low	146 Å²	146	126.4 Å²	126.4	89%	0.885	68%	0.684	S	S	*	*			trans	-57.4	111.4	166.6	174.6	0	0	0	0	108.1
188	V	39.4	Very low	46	Very low	110 Å²	110	120.6 Å²	120.6	67%	0.667	66%	0.658	S	S	*	*			trans	-131	98.3	175.6	-178.6	0	0	0	0	109.3	P186	P186-V188 HydrophobicContact CB-CG2 4.38Å; P186-V188 HydrophobicContact CG-CG2 4.41Å; P186-V188 PolarHBondContact O-N 3.28Å
189	N	39.9	Very low	48	Very low	94 Å²	94	118.5 Å²	118.5	50%	0.503	65%	0.646	S	S	.	*			trans	57.1	74.4	141.2	-54	-14.8	0	0	0	120.1	A191 N192	N189-A191 PolarHBondContact O-N 3.26Å; N189-N192 HydrophobicContact CB-CB 4.34Å
190	E	41.9	Very low	50	Low	182 Å²	182	116 Å²	116	85%	0.85	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-25.6	155	-81.5	178.4	154.6	0	0	112.6	N192 S193	E190-N192 PolarHBondContact O-N 3.33Å; E190-S193 PolarHBondContact O-N 3.43Å; E190-S193 VanDerWaalsContact O-N 3.16Å
191	A	46.3	Very low	51.8	Low	67 Å²	67	115.9 Å²	115.9	55%	0.554	63%	0.631	S	S	*	*	H	α-helix	trans	-59.4	-31.3	178.3	0	0	0	0	0	113.4	N189 D195	N189-A191 PolarHBondContact O-N 3.26Å; A191-D195 PolarHBondContact O-N 2.78Å
192	N	49.6	Very low	53.8	Low	92 Å²	92	114.6 Å²	114.6	49%	0.492	62%	0.621	S	S	.	*	H	α-helix	trans	-74.5	-26.1	-179.4	-72	-7.6	0	0	0	112.8	N189 E190 V196	N189-N192 HydrophobicContact CB-CB 4.34Å; E190-N192 PolarHBondContact O-N 3.33Å; N192-V196 VanDerWaalsContact O-CG2 3.25Å; N192-V196 WeakPolarHBondContact O-CG2 3.35Å; N192-V196 PolarHBondContact O-N 3.48Å
193	S	52.8	Low	55.6	Low	72 Å²	72	114.9 Å²	114.9	50%	0.503	61%	0.613	S	S	.	*	H	α-helix	trans	-74.1	-38.3	178.3	-175.2	0	0	0	0	111.6	E190 V196 Q197	E190-S193 PolarHBondContact O-N 3.43Å; E190-S193 VanDerWaalsContact O-N 3.16Å; S193-V196 PolarHBondContact O-N 3.47Å; S193-Q197 PolarHBondContact O-N 3.13Å; S193-Q197 VanDerWaalsContact O-N 3.12Å
194	L	71.1	Confident	57.3	Low	107 Å²	107	113.6 Å²	113.6	56%	0.56	60%	0.599	S	S	*	*	H	α-helix	trans	-68.2	-41	177.9	-152.4	106.3	0	0	0	110.9	V196 Q197 L198	L194-V196 VanDerWaalsContact C-N 3.31Å; L194-V196 PolarHBondContact O-N 3.44Å; L194-Q197 PolarHBondContact O-N 2.67Å; L194-L198 HydrophobicContact CD2-CD1 3.76Å; L194-L198 HydrophobicContact CG-CD1 4.26Å; L194-L198 WeakPolarHBondContact O-CB 3.21Å; L194-L198 PolarHBondContact O-N 3.05Å
195	D	69.3	Low	59.3	Low	93 Å²	93	112.6 Å²	112.6	50%	0.497	59%	0.586	S	S	.	*	H	α-helix	trans	-62	-36.8	175.6	-88.7	-5.8	0	0	0	112.8	A191 K199	A191-D195 PolarHBondContact O-N 2.78Å; D195-K199 WeakPolarHBondContact O-CB 3.49Å; D195-K199 WeakPolarHBondContact O-CG 3.14Å; D195-K199 PolarHBondContact O-N 3.42Å
196	V	69.7	Low	61.6	Low	73 Å²	73	111.4 Å²	111.4	44%	0.442	57%	0.573	S	S	.	*	H	α-helix	trans	-68.2	-43.8	175.7	170.6	0	0	0	0	110.9	N192 S193 L194 K199 F200	N192-V196 VanDerWaalsContact O-CG2 3.25Å; N192-V196 WeakPolarHBondContact O-CG2 3.35Å; N192-V196 PolarHBondContact O-N 3.48Å; S193-V196 PolarHBondContact O-N 3.47Å; L194-V196 VanDerWaalsContact C-N 3.31Å; L194-V196 PolarHBondContact O-N 3.44Å; V196-K199 PolarHBondContact O-N 3.43Å; V196-F200 HydrophobicContact CG1-CD2 3.75Å; V196-F200 HydrophobicContact CG1-CE2 3.46Å; V196-F200 VanDerWaalsContact CG1-CE2 3.46Å; V196-F200 WeakPolarHBondContact O-CD2 3.43Å; V196-F200 PolarHBondContact O-N 3.3Å
197	Q	69.7	Low	63.3	Low	125 Å²	125	110.8 Å²	110.8	58%	0.584	56%	0.563	S	S	*	*	H	α-helix	trans	-62.3	-43.4	175.2	-75.7	-180	-4.1	0	0	112	S193 L194 K199 F200 Q201	S193-Q197 PolarHBondContact O-N 3.13Å; S193-Q197 VanDerWaalsContact O-N 3.12Å; L194-Q197 PolarHBondContact O-N 2.67Å; Q197-K199 VanDerWaalsContact C-N 3.33Å; Q197-K199 PolarHBondContact O-N 3.35Å; Q197-F200 PolarHBondContact O-N 2.89Å; Q197-Q201 WeakPolarHBondContact O-CB 3.09Å; Q197-Q201 PolarHBondContact O-N 3.29Å
198	L	73.7	Confident	65.1	Low	63 Å²	63	109.8 Å²	109.8	33%	0.33	55%	0.549	S	S	.	.	H	α-helix	trans	-62.1	-37.3	174.8	-101.7	133.9	0	0	0	112.6	L194 R202	L194-L198 HydrophobicContact CD2-CD1 3.76Å; L194-L198 HydrophobicContact CG-CD1 4.26Å; L194-L198 WeakPolarHBondContact O-CB 3.21Å; L194-L198 PolarHBondContact O-N 3.05Å; L198-R202 WeakPolarHBondContact O-CB 3.22Å; L198-R202 VanDerWaalsContact O-CG 3.25Å; L198-R202 WeakPolarHBondContact O-CG 3.32Å; L198-R202 PolarHBondContact O-N 2.94Å
199	K	74.3	Confident	66.9	Low	138 Å²	138	111 Å²	111	60%	0.6	55%	0.545	S	S	*	.	H	α-helix	trans	-65.2	-43.9	174.4	-81.4	179.5	-177.9	178	0	112.2	D195 V196 Q197 R202 Q203	D195-K199 WeakPolarHBondContact O-CB 3.49Å; D195-K199 WeakPolarHBondContact O-CG 3.14Å; D195-K199 PolarHBondContact O-N 3.42Å; V196-K199 PolarHBondContact O-N 3.43Å; Q197-K199 VanDerWaalsContact C-N 3.33Å; Q197-K199 PolarHBondContact O-N 3.35Å; K199-R202 PolarHBondContact O-N 2.86Å; K199-Q203 WeakPolarHBondContact O-CB 3.47Å; K199-Q203 WeakPolarHBondContact O-CG 3.28Å; K199-Q203 PolarHBondContact O-N 3.13Å
200	F	74.6	Confident	68.4	Low	130 Å²	130	110 Å²	110	57%	0.57	54%	0.538	S	S	*	.	H	α-helix	trans	-65	-41.6	176.4	-78	-58.6	0	0	0	112	V196 Q197 R202 Q203 M204	V196-F200 HydrophobicContact CG1-CD2 3.75Å; V196-F200 HydrophobicContact CG1-CE2 3.46Å; V196-F200 VanDerWaalsContact CG1-CE2 3.46Å; V196-F200 WeakPolarHBondContact O-CD2 3.43Å; V196-F200 PolarHBondContact O-N 3.3Å; Q197-F200 PolarHBondContact O-N 2.89Å; F200-R202 PolarHBondContact O-N 3.36Å; F200-Q203 PolarHBondContact O-N 2.82Å; F200-M204 WeakPolarHBondContact O-CG 3.27Å; F200-M204 PolarHBondContact O-N 3.47Å
201	Q	74.8	Confident	69.7	Low	123 Å²	123	105.9 Å²	105.9	58%	0.575	52%	0.522	S	S	*	.	H	α-helix	trans	-62.7	-43.4	177.1	-169.9	164.3	-2.4	0	0	111.8	Q197 Q203 M204 E205	Q197-Q201 WeakPolarHBondContact O-CB 3.09Å; Q197-Q201 PolarHBondContact O-N 3.29Å; Q201-Q203 VanDerWaalsContact C-N 3.34Å; Q201-Q203 PolarHBondContact O-N 3.14Å; Q201-M204 PolarHBondContact O-N 3.46Å; Q201-E205 PolarHBondContact O-N 3.38Å
202	R	77.5	Confident	70.9	Confident	160 Å²	160	105.4 Å²	105.4	60%	0.604	52%	0.518	S	S	*	.	H	α-helix	trans	-63.5	-36.7	173.3	-73.5	173.9	-179	169.4	3.3	113.2	L198 K199 F200 K206	L198-R202 WeakPolarHBondContact O-CB 3.22Å; L198-R202 VanDerWaalsContact O-CG 3.25Å; L198-R202 WeakPolarHBondContact O-CG 3.32Å; L198-R202 PolarHBondContact O-N 2.94Å; K199-R202 PolarHBondContact O-N 2.86Å; F200-R202 PolarHBondContact O-N 3.36Å; R202-K206 WeakPolarHBondContact O-CB 3.36Å; R202-K206 PolarHBondContact O-N 3.44Å
203	Q	73.1	Confident	71.8	Confident	112 Å²	112	106.2 Å²	106.2	52%	0.523	52%	0.518	S	S	.	.	H	α-helix	trans	-68.3	-39.2	175.5	-82.7	175.6	-34.2	0	0	111.8	K199 F200 Q201 K206 L207	K199-Q203 WeakPolarHBondContact O-CB 3.47Å; K199-Q203 WeakPolarHBondContact O-CG 3.28Å; K199-Q203 PolarHBondContact O-N 3.13Å; F200-Q203 PolarHBondContact O-N 2.82Å; Q201-Q203 VanDerWaalsContact C-N 3.34Å; Q201-Q203 PolarHBondContact O-N 3.14Å; Q203-K206 PolarHBondContact O-N 3.07Å; Q203-L207 WeakPolarHBondContact O-CB 3.4Å; Q203-L207 WeakPolarHBondContact O-CG 3.49Å; Q203-L207 PolarHBondContact O-N 3.14Å
204	M	69.4	Low	72.3	Confident	105 Å²	105	107.4 Å²	107.4	52%	0.517	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-48.7	174.2	-75.5	-60.9	-55.3	0	0	111.5	F200 Q201 K206 L207 E208	F200-M204 WeakPolarHBondContact O-CG 3.27Å; F200-M204 PolarHBondContact O-N 3.47Å; Q201-M204 PolarHBondContact O-N 3.46Å; M204-K206 VanDerWaalsContact C-N 3.28Å; M204-K206 PolarHBondContact O-N 3.29Å; M204-L207 PolarHBondContact O-N 3Å; M204-E208 WeakPolarHBondContact O-CG 3.4Å; M204-E208 PolarHBondContact O-N 3.45Å
205	E	74.8	Confident	71.8	Confident	112 Å²	112	107.5 Å²	107.5	52%	0.523	51%	0.512	S	S	.	.	H	α-helix	trans	-58.4	-39.8	174.7	-75.1	173	-179	0	0	112	Q201 K209	Q201-E205 PolarHBondContact O-N 3.38Å; E205-K209 WeakPolarHBondContact O-CB 3.49Å; E205-K209 PolarHBondContact O-N 3.33Å
206	K	80.2	Confident	71.4	Confident	130 Å²	130	108.2 Å²	108.2	57%	0.565	51%	0.512	S	S	*	.	H	α-helix	trans	-64.1	-45.7	176.1	-167.5	-172.5	-178	-126.5	0	111.7	R202 Q203 M204 K209 E210	R202-K206 WeakPolarHBondContact O-CB 3.36Å; R202-K206 PolarHBondContact O-N 3.44Å; Q203-K206 PolarHBondContact O-N 3.07Å; M204-K206 VanDerWaalsContact C-N 3.28Å; M204-K206 PolarHBondContact O-N 3.29Å; K206-K209 PolarHBondContact O-N 3.43Å; K206-E210 WeakPolarHBondContact CE-OE1 3.22Å; K206-E210 IonicContact NZ-OE1 2.89Å; K206-E210 PolarHBondContact NZ-OE1 3.21Å; K206-E210 WeakPolarHBondContact O-CB 3.5Å; K206-E210 WeakPolarHBondContact O-CG 3.5Å; K206-E210 PolarHBondContact O-N 3.19Å
207	L	73	Confident	71	Confident	92 Å²	92	109.2 Å²	109.2	48%	0.482	51%	0.514	S	S	.	.	H	α-helix	trans	-67.3	-37.1	178.6	-75.9	170.7	0	0	0	112.3	Q203 M204 K209 E210 N211	Q203-L207 WeakPolarHBondContact O-CB 3.4Å; Q203-L207 WeakPolarHBondContact O-CG 3.49Å; Q203-L207 PolarHBondContact O-N 3.14Å; M204-L207 PolarHBondContact O-N 3Å; L207-K209 VanDerWaalsContact C-N 3.35Å; L207-E210 PolarHBondContact O-N 3.48Å; L207-N211 WeakPolarHBondContact O-CB 3.37Å; L207-N211 PolarHBondContact O-N 3.45Å
208	E	72.5	Confident	70.2	Confident	125 Å²	125	108.1 Å²	108.1	58%	0.584	51%	0.512	S	S	*	.	H	α-helix	trans	-63.8	-41.3	173.5	-76	179.3	168.9	0	0	111.3	M204 N211 A212	M204-E208 WeakPolarHBondContact O-CG 3.4Å; M204-E208 PolarHBondContact O-N 3.45Å; E208-N211 PolarHBondContact O-N 3.47Å; E208-A212 WeakPolarHBondContact O-CB 3.46Å; E208-A212 PolarHBondContact O-N 3.33Å
209	K	75.9	Confident	69.5	Low	136 Å²	136	109.4 Å²	109.4	59%	0.591	52%	0.522	S	S	*	.	H	α-helix	trans	-66	-45	174.4	-166.9	178.7	179.2	-178.3	0	112.5	E205 K206 L207 N211 A212 E213	E205-K209 WeakPolarHBondContact O-CB 3.49Å; E205-K209 PolarHBondContact O-N 3.33Å; K206-K209 PolarHBondContact O-N 3.43Å; L207-K209 VanDerWaalsContact C-N 3.35Å; K209-N211 VanDerWaalsContact C-N 3.33Å; K209-N211 PolarHBondContact O-N 2.99Å; K209-A212 PolarHBondContact O-N 3.27Å; K209-E213 WeakPolarHBondContact O-CG 3.16Å; K209-E213 PolarHBondContact O-N 3.26Å
210	E	72.7	Confident	68.6	Low	74 Å²	74	106.9 Å²	106.9	35%	0.346	52%	0.515	S	S	.	.	H	α-helix	trans	-61.8	-39.7	174.7	-74.9	174.7	-171.6	0	0	111.2	K206 L207 E213 L214	K206-E210 WeakPolarHBondContact CE-OE1 3.22Å; K206-E210 IonicContact NZ-OE1 2.89Å; K206-E210 PolarHBondContact NZ-OE1 3.21Å; K206-E210 WeakPolarHBondContact O-CB 3.5Å; K206-E210 WeakPolarHBondContact O-CG 3.5Å; K206-E210 PolarHBondContact O-N 3.19Å; L207-E210 PolarHBondContact O-N 3.48Å; E210-E213 PolarHBondContact O-N 3.33Å; E210-L214 WeakPolarHBondContact O-CB 3.31Å; E210-L214 VanDerWaalsContact O-CG 3.31Å; E210-L214 WeakPolarHBondContact O-CG 3.15Å; E210-L214 PolarHBondContact O-N 3.28Å
211	N	69.3	Low	67.4	Low	95 Å²	95	106.7 Å²	106.7	51%	0.508	52%	0.519	S	S	.	.	H	α-helix	trans	-66.9	-38.1	173.7	-100.6	-32.3	0	0	0	112.8	L207 E208 K209 L214 R215	L207-N211 WeakPolarHBondContact O-CB 3.37Å; L207-N211 PolarHBondContact O-N 3.45Å; E208-N211 PolarHBondContact O-N 3.47Å; K209-N211 VanDerWaalsContact C-N 3.33Å; K209-N211 PolarHBondContact O-N 2.99Å; N211-L214 PolarHBondContact O-N 3.48Å; N211-R215 WeakPolarHBondContact O-CB 3.34Å; N211-R215 WeakPolarHBondContact O-CG 3.42Å; N211-R215 PolarHBondContact O-N 3.37Å
212	A	70.8	Confident	65.9	Low	57 Å²	57	103.7 Å²	103.7	47%	0.471	51%	0.508	S	S	.	.	H	α-helix	trans	-64.2	-42.1	174.3	0	0	0	0	0	111.3	E208 K209 R215 H216	E208-A212 WeakPolarHBondContact O-CB 3.46Å; E208-A212 PolarHBondContact O-N 3.33Å; K209-A212 PolarHBondContact O-N 3.27Å; A212-R215 PolarHBondContact O-N 2.89Å; A212-H216 WeakPolarHBondContact O-CB 3.42Å; A212-H216 PolarHBondContact O-N 2.83Å
213	E	68	Low	64.4	Low	109 Å²	109	102.8 Å²	102.8	51%	0.509	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-43.2	174.2	-73.5	175.1	-170	0	0	112	K209 E210 H216 L217	K209-E213 WeakPolarHBondContact O-CG 3.16Å; K209-E213 PolarHBondContact O-N 3.26Å; E210-E213 PolarHBondContact O-N 3.33Å; E213-H216 WeakPolarHBondContact O-CB 3.15Å; E213-H216 PolarHBondContact O-N 3.48Å; E213-L217 WeakPolarHBondContact O-CB 3.48Å; E213-L217 PolarHBondContact O-N 3.32Å
214	L	63.7	Low	63	Low	97 Å²	97	103.7 Å²	103.7	51%	0.508	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-41.5	174.9	-77.3	169.3	0	0	0	112	E210 N211 L217 L218	E210-L214 WeakPolarHBondContact O-CB 3.31Å; E210-L214 VanDerWaalsContact O-CG 3.31Å; E210-L214 WeakPolarHBondContact O-CG 3.15Å; E210-L214 PolarHBondContact O-N 3.28Å; N211-L214 PolarHBondContact O-N 3.48Å; L214-L217 PolarHBondContact O-N 2.93Å; L214-L218 WeakPolarHBondContact O-CB 3.32Å; L214-L218 VanDerWaalsContact O-CG 3.27Å; L214-L218 WeakPolarHBondContact O-CG 3.32Å; L214-L218 PolarHBondContact O-N 2.65Å
215	R	60.7	Low	61.8	Low	109 Å²	109	103.1 Å²	103.1	41%	0.411	52%	0.524	S	S	.	.	H	α-helix	trans	-60.1	-47.5	173.5	-80.2	176.2	168.3	170.2	-1.8	110.7	N211 A212 L217 L218 T219 D314 E316	N211-R215 WeakPolarHBondContact O-CB 3.34Å; N211-R215 WeakPolarHBondContact O-CG 3.42Å; N211-R215 PolarHBondContact O-N 3.37Å; A212-R215 PolarHBondContact O-N 2.89Å; R215-L217 VanDerWaalsContact C-N 3.32Å; R215-L217 PolarHBondContact O-N 2.9Å; R215-L218 WeakPolarHBondContact O-CB 3.47Å; R215-L218 PolarHBondContact O-N 2.92Å; R215-L218 VanDerWaalsContact O-N 3.09Å; R215-T219 PolarHBondContact O-N 2.85Å; R215-T219 PolarHBondContact O-OG1 3.37Å; R215-D314 PolarHBondContact NH1-O 3.13Å; R215-E316 IonicContact CZ-OE1 3.51Å; R215-E316 IonicContact NE-OE1 3.7Å; R215-E316 VanDerWaalsContact NH2-CD 3.34Å; R215-E316 IonicContact NH2-OE1 2.88Å; R215-E316 PolarHBondContact NH2-OE1 3.37Å
216	H	61.2	Low	60.4	Low	108 Å²	108	99.3 Å²	99.3	50%	0.5	51%	0.507	S	S	.	.	H	α-helix	trans	-59	-42.4	176.6	-173.2	-87.8	0	0	0	112.2	A212 E213 T219 L220	A212-H216 WeakPolarHBondContact O-CB 3.42Å; A212-H216 PolarHBondContact O-N 2.83Å; E213-H216 WeakPolarHBondContact O-CB 3.15Å; E213-H216 PolarHBondContact O-N 3.48Å; H216-T219 PolarHBondContact O-N 3.18Å; H216-L220 WeakPolarHBondContact CE1-CD1 3.48Å; H216-L220 WeakPolarHBondContact ND1-CD1 3.4Å; H216-L220 WeakPolarHBondContact O-CG 3.25Å; H216-L220 PolarHBondContact O-N 2.96Å
217	L	60.8	Low	58.7	Low	93 Å²	93	99.3 Å²	99.3	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-40.7	173.1	-95	163.2	0	0	0	112.3	E213 L214 R215 L220 N221	E213-L217 WeakPolarHBondContact O-CB 3.48Å; E213-L217 PolarHBondContact O-N 3.32Å; L214-L217 PolarHBondContact O-N 2.93Å; R215-L217 VanDerWaalsContact C-N 3.32Å; R215-L217 PolarHBondContact O-N 2.9Å; L217-L220 PolarHBondContact O-N 3.49Å; L217-N221 WeakPolarHBondContact O-CB 3.34Å; L217-N221 PolarHBondContact O-N 3.41Å
218	L	54.3	Low	56.9	Low	103 Å²	103	102.7 Å²	102.7	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-67.1	-37.4	176.8	-72.4	167.1	0	0	0	112	L214 R215 L220 N222	L214-L218 WeakPolarHBondContact O-CB 3.32Å; L214-L218 VanDerWaalsContact O-CG 3.27Å; L214-L218 WeakPolarHBondContact O-CG 3.32Å; L214-L218 PolarHBondContact O-N 2.65Å; R215-L218 WeakPolarHBondContact O-CB 3.47Å; R215-L218 PolarHBondContact O-N 2.92Å; R215-L218 VanDerWaalsContact O-N 3.09Å; L218-L220 VanDerWaalsContact C-N 3.3Å; L218-L220 PolarHBondContact O-N 2.81Å; L218-N222 WeakPolarHBondContact O-CB 3.26Å; L218-N222 PolarHBondContact O-N 3.41Å; L218-N222 PolarHBondContact O-ND2 2.8Å
219	T	59.1	Low	55.6	Low	89 Å²	89	105.7 Å²	105.7	55%	0.546	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-35.4	173.4	-19.9	0	0	0	0	111.7	R215 H216	R215-T219 PolarHBondContact O-N 2.85Å; R215-T219 PolarHBondContact O-OG1 3.37Å; H216-T219 PolarHBondContact O-N 3.18Å
220	L	53.8	Low	54	Low	86 Å²	86	107.3 Å²	107.3	45%	0.45	53%	0.533	S	S	.	.	H	α-helix	trans	-80.5	-31	178.3	-71.5	174.1	0	0	0	113.9	H216 L217 L218 K223	H216-L220 WeakPolarHBondContact CE1-CD1 3.48Å; H216-L220 WeakPolarHBondContact ND1-CD1 3.4Å; H216-L220 WeakPolarHBondContact O-CG 3.25Å; H216-L220 PolarHBondContact O-N 2.96Å; L217-L220 PolarHBondContact O-N 3.49Å; L218-L220 VanDerWaalsContact C-N 3.3Å; L218-L220 PolarHBondContact O-N 2.81Å; L220-K223 WeakPolarHBondContact O-CD 3.23Å; L220-K223 VanDerWaalsContact O-CE 3.29Å; L220-K223 WeakPolarHBondContact O-CE 3.35Å; L220-K223 VanDerWaalsContact O-CG 3.31Å; L220-K223 WeakPolarHBondContact O-CG 3.36Å
221	N	49.2	Very low	52.4	Low	125 Å²	125	108.3 Å²	108.3	67%	0.668	55%	0.548	S	S	*	.	H	α-helix	trans	-88.3	-15.5	-177	-99.1	-13.1	0	0	0	114.7	L217 K223	L217-N221 WeakPolarHBondContact O-CB 3.34Å; L217-N221 PolarHBondContact O-N 3.41Å; N221-K223 PolarHBondContact O-N 3.49Å
222	N	44.7	Very low	51.5	Low	61 Å²	61	112.8 Å²	112.8	33%	0.326	56%	0.563	S	S	.	*			trans	-80	23.9	178.1	-78.6	-24.2	0	0	0	114.6	L218 T224 T225 D226	L218-N222 WeakPolarHBondContact O-CB 3.26Å; L218-N222 PolarHBondContact O-N 3.41Å; L218-N222 PolarHBondContact O-ND2 2.8Å; N222-T224 PolarHBondContact O-N 3.16Å; N222-T225 PolarHBondContact O-N 3.43Å; N222-T225 PolarHBondContact O-OG1 3.33Å; N222-D226 WeakPolarHBondContact CB-OD2 3.17Å; N222-D226 PolarHBondContact O-N 2.96Å
223	K	45.9	Very low	51.1	Low	141 Å²	141	113.5 Å²	113.5	61%	0.613	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-13	-178	-79.4	174.1	-179.3	-175.8	0	115.5	L220 N221	L220-K223 WeakPolarHBondContact O-CD 3.23Å; L220-K223 VanDerWaalsContact O-CE 3.29Å; L220-K223 WeakPolarHBondContact O-CE 3.35Å; L220-K223 VanDerWaalsContact O-CG 3.31Å; L220-K223 WeakPolarHBondContact O-CG 3.36Å; N221-K223 PolarHBondContact O-N 3.49Å
224	T	43.6	Very low	51.3	Low	131 Å²	131	109.6 Å²	109.6	80%	0.804	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-11.9	179.9	48.3	0	0	0	0	115	N222	N222-T224 PolarHBondContact O-N 3.16Å
225	T	44.4	Very low	52.1	Low	92 Å²	92	110.1 Å²	110.1	56%	0.564	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-16.5	-179.6	53.7	0	0	0	0	113.7	N222	N222-T225 PolarHBondContact O-N 3.43Å; N222-T225 PolarHBondContact O-OG1 3.33Å
226	D	43.9	Very low	52.8	Low	33 Å²	33	105 Å²	105	18%	0.176	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-9	-170.8	-79.3	-33.3	0	0	0	116.9	N222 H228 R229 R230	N222-D226 WeakPolarHBondContact CB-OD2 3.17Å; N222-D226 PolarHBondContact O-N 2.96Å; D226-H228 PolarHBondContact O-N 3.32Å; D226-H228 VanDerWaalsContact O-N 3.17Å; D226-R229 PolarHBondContact O-N 3.46Å; D226-R229 VanDerWaalsContact O-N 3.09Å; D226-R230 WeakPolarHBondContact O-CG 3.04Å; D226-R230 PolarHBondContact O-N 3.03Å
227	I	44.8	Very low	53.5	Low	129 Å²	129	102.7 Å²	102.7	66%	0.662	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.7	175.7	-60.5	174.9	0	0	0	110.8
228	H	36.8	Very low	54.4	Low	164 Å²	164	101.7 Å²	101.7	76%	0.759	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-25.2	176.3	-73.4	-33.5	0	0	0	114.2	D226 S231	D226-H228 PolarHBondContact O-N 3.32Å; D226-H228 VanDerWaalsContact O-N 3.17Å; H228-S231 PolarHBondContact O-OG 2.92Å
229	R	43.3	Very low	55.7	Low	187 Å²	187	97.6 Å²	97.6	71%	0.706	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-33.7	176.1	-107	-179.4	170.4	177.6	-3.8	113.1	D226 S231 K232	D226-R229 PolarHBondContact O-N 3.46Å; D226-R229 VanDerWaalsContact O-N 3.09Å; R229-S231 PolarHBondContact O-N 3.02Å; R229-S231 VanDerWaalsContact O-N 3.12Å; R229-K232 PolarHBondContact O-N 3.37Å
230	R	42.8	Very low	56.5	Low	170 Å²	170	94 Å²	94	64%	0.642	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-59.3	-21.1	175.2	-74.3	177.8	178.4	179.2	-0.9	114.2	D226 K232	D226-R230 WeakPolarHBondContact O-CG 3.04Å; D226-R230 PolarHBondContact O-N 3.03Å; R230-K232 PolarHBondContact O-N 2.89Å
231	S	39.4	Very low	57.6	Low	95 Å²	95	93.6 Å²	93.6	66%	0.664	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-66.7	-15.4	178.2	69.2	0	0	0	0	114.8	H228 R229	H228-S231 PolarHBondContact O-OG 2.92Å; R229-S231 PolarHBondContact O-N 3.02Å; R229-S231 VanDerWaalsContact O-N 3.12Å
232	K	51.3	Low	58.9	Low	190 Å²	190	91 Å²	91	83%	0.826	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-106.9	-4.6	-175.6	-67.3	-172.2	178.6	-176.8	0	114.9	R229 R230	R229-K232 PolarHBondContact O-N 3.37Å; R230-K232 PolarHBondContact O-N 2.89Å
233	Q	62.1	Low	60.3	Low	71 Å²	71	88.1 Å²	88.1	33%	0.332	43%	0.433	S	S	.	.	S	Bend	trans	-80.4	136.3	-179.8	-69.2	173.5	-52	0	0	110.4	M238 E241	Q233-M238 HydrophobicContact CB-CG 4.05Å; Q233-E241 PolarHBondContact NE2-OE2 3.48Å
234	S	71.6	Confident	61.5	Low	28 Å²	28	82.6 Å²	82.6	20%	0.196	41%	0.411	C	S	.	.			trans	-69.6	151	173.7	65.9	0	0	0	0	110.6	I236 E237 M238	S234-I236 PolarHBondContact O-N 3.32Å; S234-I236 VanDerWaalsContact O-N 3.08Å; S234-I236 WeakPolarHBondContact OG-CG2 3.49Å; S234-E237 PolarHBondContact N-OE2 3.07Å; S234-E237 PolarHBondContact O-N 3.46Å; S234-E237 WeakPolarHBondContact OG-CG 3.44Å; S234-E237 PolarHBondContact OG-N 3.18Å; S234-E237 PolarHBondContact OG-OE2 3.11Å; S234-M238 PolarHBondContact O-N 3.35Å; S234-M238 VanDerWaalsContact O-N 3.09Å
235	L	79.6	Confident	62.8	Low	108 Å²	108	81.3 Å²	81.3	57%	0.565	40%	0.398	S	S	*	.	H	α-helix	trans	-54.7	-31.2	179.9	-71.3	167.7	0	0	0	113	M238 Y239 W540	L235-M238 HydrophobicContact CD2-CE 3.66Å; L235-M238 HydrophobicContact CG-CE 4.35Å; L235-Y239 WeakPolarHBondContact O-CB 3.29Å; L235-Y239 PolarHBondContact O-N 3.25Å; L235-W540 HydrophobicContact CB-CH2 4.27Å
236	I	77.3	Confident	64.1	Low	0 Å²	0	77.9 Å²	77.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-78.1	-34.2	-180	-171.7	61.2	0	0	0	112.5	S234 Y239 S240 T301 S303 R382 V384 F539 W540	S234-I236 PolarHBondContact O-N 3.32Å; S234-I236 VanDerWaalsContact O-N 3.08Å; S234-I236 WeakPolarHBondContact OG-CG2 3.49Å; I236-Y239 HydrophobicContact CD1-CD1 4.3Å; I236-Y239 PolarHBondContact O-N 3.39Å; I236-S240 WeakPolarHBondContact O-CB 3.47Å; I236-S240 PolarHBondContact O-N 2.97Å; I236-T301 HydrophobicContact CG1-CG2 4.12Å; I236-S303 VanDerWaalsContact CG2-CB 3.42Å; I236-R382 HydrophobicContact CB-CB 4.22Å; I236-R382 HydrophobicContact CG1-CB 4.32Å; I236-R382 HydrophobicContact CG2-CB 4.41Å; I236-R382 HydrophobicContact CG2-CG 4.36Å; I236-V384 HydrophobicContact CD1-CG2 4.08Å; I236-F539 HydrophobicContact CD1-CE1 4.32Å; I236-W540 HydrophobicContact CB-CZ2 4.37Å; I236-W540 HydrophobicContact CD1-CH2 4.49Å; I236-W540 HydrophobicContact CD1-CZ2 4.17Å
237	E	75.8	Confident	65.1	Low	61 Å²	61	78.3 Å²	78.3	29%	0.285	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-45.1	171.5	-74.1	164.3	157.2	0	0	110	S234 Y239 S240 E241 Q376	S234-E237 PolarHBondContact N-OE2 3.07Å; S234-E237 PolarHBondContact O-N 3.46Å; S234-E237 WeakPolarHBondContact OG-CG 3.44Å; S234-E237 PolarHBondContact OG-N 3.18Å; S234-E237 PolarHBondContact OG-OE2 3.11Å; E237-Y239 VanDerWaalsContact C-N 3.33Å; E237-Y239 PolarHBondContact O-N 2.79Å; E237-S240 PolarHBondContact O-N 3.46Å; E237-E241 WeakPolarHBondContact O-CB 3.26Å; E237-E241 PolarHBondContact O-N 2.84Å; E237-Q376 PolarHBondContact OE1-NE2 2.93Å
238	M	78.2	Confident	66.1	Low	71 Å²	71	78 Å²	78	35%	0.35	38%	0.383	S	S	.	.	H	α-helix	trans	-59.6	-43.1	173.6	-70.2	-170.8	-71.2	0	0	111.7	Q233 S234 L235 E241 V242	Q233-M238 HydrophobicContact CB-CG 4.05Å; S234-M238 PolarHBondContact O-N 3.35Å; S234-M238 VanDerWaalsContact O-N 3.09Å; L235-M238 HydrophobicContact CD2-CE 3.66Å; L235-M238 HydrophobicContact CG-CE 4.35Å; M238-E241 PolarHBondContact O-N 2.84Å; M238-V242 VanDerWaalsContact O-CG2 3.29Å; M238-V242 WeakPolarHBondContact O-CG2 3.38Å; M238-V242 PolarHBondContact O-N 3.42Å
239	Y	82.8	Confident	67.2	Low	18 Å²	18	73.5 Å²	73.5	7%	0.071	36%	0.36	C	S	.	.	H	α-helix	trans	-64.2	-40.4	176.5	-175.2	-104.7	0	0	0	112.6	L235 I236 E237 V242 L243 L259 P260 V384 F539 V543 V547	L235-Y239 WeakPolarHBondContact O-CB 3.29Å; L235-Y239 PolarHBondContact O-N 3.25Å; I236-Y239 HydrophobicContact CD1-CD1 4.3Å; I236-Y239 PolarHBondContact O-N 3.39Å; E237-Y239 VanDerWaalsContact C-N 3.33Å; E237-Y239 PolarHBondContact O-N 2.79Å; Y239-V242 PolarHBondContact O-N 3.12Å; Y239-L243 HydrophobicContact CD1-CD1 3.81Å; Y239-L243 HydrophobicContact CD1-CG 4.28Å; Y239-L243 HydrophobicContact CE1-CD1 3.46Å; Y239-L243 VanDerWaalsContact CE1-CD1 3.46Å; Y239-L243 HydrophobicContact CE1-CD2 4.44Å; Y239-L243 HydrophobicContact CE1-CG 3.92Å; Y239-L243 WeakPolarHBondContact O-CG 3.33Å; Y239-L243 PolarHBondContact O-N 3Å; Y239-L259 HydrophobicContact CE2-CD1 4.44Å; Y239-L259 HydrophobicContact CE2-CD2 4.18Å; Y239-P260 VanDerWaalsContact OH-CD 3.28Å; Y239-P260 WeakPolarHBondContact OH-CD 3.41Å; Y239-P260 PolarHBondContact OH-O 3.43Å; Y239-V384 HydrophobicContact CD1-CG2 4.28Å; Y239-V384 HydrophobicContact CE1-CG2 4.44Å; Y239-F539 HydrophobicContact CD1-CZ 4.16Å; Y239-F539 HydrophobicContact CE1-CE2 4.33Å; Y239-F539 AromaticContact CE1-CZ 3.69Å; Y239-F539 HydrophobicContact CE1-CZ 3.69Å; Y239-V543 HydrophobicContact CD2-CG1 3.99Å; Y239-V543 HydrophobicContact CE1-CG2 4.24Å; Y239-V543 HydrophobicContact CE2-CG1 3.66Å; Y239-V543 HydrophobicContact CE2-CG2 4.19Å; Y239-V547 HydrophobicContact CE2-CG2 4.19Å
240	S	75.4	Confident	67.6	Low	14 Å²	14	65.9 Å²	65.9	10%	0.098	33%	0.334	C	S	.	.	H	α-helix	trans	-66.3	-39.8	176.3	-170.6	0	0	0	0	112	I236 E237 L243 D244 T301	I236-S240 WeakPolarHBondContact O-CB 3.47Å; I236-S240 PolarHBondContact O-N 2.97Å; E237-S240 PolarHBondContact O-N 3.46Å; S240-L243 WeakPolarHBondContact O-CB 3.4Å; S240-L243 PolarHBondContact O-N 3.48Å; S240-D244 WeakPolarHBondContact O-CB 3.25Å; S240-D244 PolarHBondContact O-N 2.99Å; S240-T301 PolarHBondContact OG-OG1 3.4Å
241	E	76.6	Confident	67.9	Low	76 Å²	76	63.1 Å²	63.1	36%	0.355	35%	0.347	S	S	.	.	H	α-helix	trans	-63.2	-43.6	174.9	-172.1	176.9	175	0	0	110.8	Q233 E237 M238 L243 D244 I245	Q233-E241 PolarHBondContact NE2-OE2 3.48Å; E237-E241 WeakPolarHBondContact O-CB 3.26Å; E237-E241 PolarHBondContact O-N 2.84Å; M238-E241 PolarHBondContact O-N 2.84Å; E241-L243 PolarHBondContact O-N 2.67Å; E241-D244 PolarHBondContact O-N 2.86Å; E241-D244 VanDerWaalsContact O-N 3.15Å; E241-I245 HydrophobicContact CG-CD1 4.01Å; E241-I245 WeakPolarHBondContact O-CG1 3.4Å; E241-I245 PolarHBondContact O-N 3.23Å
242	V	76.9	Confident	68.5	Low	71 Å²	71	62.3 Å²	62.3	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-44.7	173.7	170.5	0	0	0	0	111.4	M238 Y239 D244 I245 L246 L259	M238-V242 VanDerWaalsContact O-CG2 3.29Å; M238-V242 WeakPolarHBondContact O-CG2 3.38Å; M238-V242 PolarHBondContact O-N 3.42Å; Y239-V242 PolarHBondContact O-N 3.12Å; V242-D244 PolarHBondContact O-N 3.41Å; V242-I245 PolarHBondContact O-N 3.3Å; V242-L246 HydrophobicContact CG1-CD1 3.77Å; V242-L246 HydrophobicContact CG1-CG 4.4Å; V242-L246 WeakPolarHBondContact O-CB 3.25Å; V242-L246 WeakPolarHBondContact O-CD1 3.29Å; V242-L246 WeakPolarHBondContact O-CG 3.49Å; V242-L246 PolarHBondContact O-N 3.42Å; V242-L259 HydrophobicContact CG1-CD1 4.23Å
243	L	74.3	Confident	68.5	Low	1 Å²	1	59.9 Å²	59.9	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-57.4	-37.1	175	-80.5	173.7	0	0	0	112.2	Y239 S240 E241 A247 L259 V384	Y239-L243 HydrophobicContact CD1-CD1 3.81Å; Y239-L243 HydrophobicContact CD1-CG 4.28Å; Y239-L243 HydrophobicContact CE1-CD1 3.46Å; Y239-L243 VanDerWaalsContact CE1-CD1 3.46Å; Y239-L243 HydrophobicContact CE1-CD2 4.44Å; Y239-L243 HydrophobicContact CE1-CG 3.92Å; Y239-L243 WeakPolarHBondContact O-CG 3.33Å; Y239-L243 PolarHBondContact O-N 3Å; S240-L243 WeakPolarHBondContact O-CB 3.4Å; S240-L243 PolarHBondContact O-N 3.48Å; E241-L243 PolarHBondContact O-N 2.67Å; L243-A247 PolarHBondContact O-N 3.14Å; L243-L259 HydrophobicContact CD2-CB 3.49Å; L243-L259 VanDerWaalsContact CD2-CB 3.49Å; L243-L259 HydrophobicContact CD2-CD1 3.57Å; L243-L259 HydrophobicContact CD2-CG 4.2Å; L243-L259 HydrophobicContact CG-CD1 4.19Å; L243-V384 HydrophobicContact CD1-CG1 4.32Å; L243-V384 HydrophobicContact CD1-CG2 4.06Å
244	D	71.2	Confident	68.2	Low	25 Å²	25	64.1 Å²	64.1	13%	0.134	35%	0.346	C	S	.	.	H	α-helix	trans	-79.6	-36.7	-177.7	-75.5	-16.1	0	0	0	113.1	S240 E241 V242 L246 A247 D248 K299 K313	S240-D244 WeakPolarHBondContact O-CB 3.25Å; S240-D244 PolarHBondContact O-N 2.99Å; E241-D244 PolarHBondContact O-N 2.86Å; E241-D244 VanDerWaalsContact O-N 3.15Å; V242-D244 PolarHBondContact O-N 3.41Å; D244-L246 VanDerWaalsContact C-N 3.34Å; D244-A247 WeakPolarHBondContact O-CA 3.07Å; D244-A247 PolarHBondContact O-N 3.25Å; D244-D248 PolarHBondContact O-N 3.26Å; D244-K299 IonicContact OD1-NZ 2.9Å; D244-K299 PolarHBondContact OD1-NZ 2.75Å; D244-K299 IonicContact OD2-NZ 3.01Å; D244-K313 VanDerWaalsContact CB-NZ 3.29Å; D244-K313 VanDerWaalsContact CG-CE 3.48Å; D244-K313 IonicContact OD1-NZ 2.99Å; D244-K313 WeakPolarHBondContact OD2-CD 3.38Å; D244-K313 WeakPolarHBondContact OD2-CE 3.48Å; D244-K313 IonicContact OD2-NZ 2.6Å; D244-K313 PolarHBondContact OD2-NZ 2.82Å
245	I	71.2	Confident	67.3	Low	103 Å²	103	63.8 Å²	63.8	53%	0.528	34%	0.342	S	S	.	.	H	α-helix	trans	-67.7	-40.8	173.1	-68.4	165.9	0	0	0	109.9	E241 V242 A247 D248 Y249	E241-I245 HydrophobicContact CG-CD1 4.01Å; E241-I245 WeakPolarHBondContact O-CG1 3.4Å; E241-I245 PolarHBondContact O-N 3.23Å; V242-I245 PolarHBondContact O-N 3.3Å; I245-A247 VanDerWaalsContact C-N 3.28Å; I245-A247 PolarHBondContact O-N 3.38Å; I245-D248 PolarHBondContact O-N 3.44Å; I245-Y249 PolarHBondContact O-N 3.48Å
246	L	69.8	Low	66	Low	20 Å²	20	60 Å²	60	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-43.7	172.7	-68.6	169.3	0	0	0	109.6	V242 D244 D248 Y249 D250 Q256 L259 F554	V242-L246 HydrophobicContact CG1-CD1 3.77Å; V242-L246 HydrophobicContact CG1-CG 4.4Å; V242-L246 WeakPolarHBondContact O-CB 3.25Å; V242-L246 WeakPolarHBondContact O-CD1 3.29Å; V242-L246 WeakPolarHBondContact O-CG 3.49Å; V242-L246 PolarHBondContact O-N 3.42Å; D244-L246 VanDerWaalsContact C-N 3.34Å; L246-D248 PolarHBondContact O-N 3.04Å; L246-D248 VanDerWaalsContact O-N 3.14Å; L246-Y249 PolarHBondContact O-N 3.12Å; L246-Y249 VanDerWaalsContact O-N 3.12Å; L246-D250 WeakPolarHBondContact O-CB 3.46Å; L246-D250 PolarHBondContact O-N 3.44Å; L246-Q256 VanDerWaalsContact C-CD 3.49Å; L246-Q256 HydrophobicContact CB-CG 3.76Å; L246-Q256 VanDerWaalsContact O-CD 3.28Å; L246-Q256 WeakPolarHBondContact O-CG 3.4Å; L246-Q256 PolarHBondContact O-NE2 3.35Å; L246-L259 HydrophobicContact CD1-CD1 3.31Å; L246-L259 HydrophobicContact CD1-CG 4.28Å; L246-F554 HydrophobicContact CD2-CE1 4.36Å; L246-F554 HydrophobicContact CD2-CE2 4.15Å; L246-F554 HydrophobicContact CD2-CZ 3.51Å
247	A	66.1	Low	65.1	Low	42 Å²	42	63.8 Å²	63.8	35%	0.347	34%	0.342	S	S	.	.	H	α-helix	trans	-17.9	-58.4	157.2	0	0	0	0	0	116.8	L243 D244 I245 Q256	L243-A247 PolarHBondContact O-N 3.14Å; D244-A247 WeakPolarHBondContact O-CA 3.07Å; D244-A247 PolarHBondContact O-N 3.25Å; I245-A247 VanDerWaalsContact C-N 3.28Å; I245-A247 PolarHBondContact O-N 3.38Å; A247-Q256 VanDerWaalsContact CA-CD 3.42Å; A247-Q256 HydrophobicContact CB-CG 4.08Å; A247-Q256 PolarHBondContact O-NE2 3.39Å
248	D	65.2	Low	64.6	Low	122 Å²	122	62.5 Å²	62.5	65%	0.652	34%	0.339	S	S	*	.	H	α-helix	trans	-94.2	-26.1	-168.4	-60.4	-25.8	0	0	0	111.7	D244 I245 L246 D250	D244-D248 PolarHBondContact O-N 3.26Å; I245-D248 PolarHBondContact O-N 3.44Å; L246-D248 PolarHBondContact O-N 3.04Å; L246-D248 VanDerWaalsContact O-N 3.14Å; D248-D250 VanDerWaalsContact C-N 3.25Å; D248-D250 PolarHBondContact O-N 3.25Å
249	Y	60.7	Low	64.6	Low	70 Å²	70	59.4 Å²	59.4	28%	0.275	32%	0.324	S	S	.	.	H	α-helix	trans	-72.1	-17.7	-179.2	-163.2	-116	0	0	0	113.4	I245 L246 A251 T910 F911	I245-Y249 PolarHBondContact O-N 3.48Å; L246-Y249 PolarHBondContact O-N 3.12Å; L246-Y249 VanDerWaalsContact O-N 3.12Å; Y249-A251 PolarHBondContact O-N 2.85Å; Y249-T910 HydrophobicContact CD2-CG2 3.84Å; Y249-T910 HydrophobicContact CE2-CG2 3.4Å; Y249-T910 VanDerWaalsContact CE2-CG2 3.4Å; Y249-F911 HydrophobicContact CE1-CZ 4.42Å; Y249-F911 WeakPolarHBondContact OH-CE2 3.4Å; Y249-F911 VanDerWaalsContact OH-CZ 3.29Å; Y249-F911 WeakPolarHBondContact OH-CZ 3.16Å
250	D	50.6	Low	64.6	Low	28 Å²	28	58.5 Å²	58.5	15%	0.15	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	51	-153.6	-131.7	-17.5	0	0	0	116.4	L246 D248 S252 Y253 K254 T255 Q256	L246-D250 WeakPolarHBondContact O-CB 3.46Å; L246-D250 PolarHBondContact O-N 3.44Å; D248-D250 VanDerWaalsContact C-N 3.25Å; D248-D250 PolarHBondContact O-N 3.25Å; D250-S252 VanDerWaalsContact C-N 3.27Å; D250-Y253 VanDerWaalsContact OD1-CA 3.26Å; D250-Y253 WeakPolarHBondContact OD1-CA 3.33Å; D250-Y253 PolarHBondContact OD1-N 3.28Å; D250-K254 PolarHBondContact OD1-N 3.07Å; D250-T255 PolarHBondContact OD1-OG1 3.12Å; D250-T255 VanDerWaalsContact OD2-CA 3.25Å; D250-T255 WeakPolarHBondContact OD2-CA 3.41Å; D250-T255 WeakPolarHBondContact OD2-CB 3.32Å; D250-T255 PolarHBondContact OD2-N 3.36Å; D250-T255 PolarHBondContact OD2-OG1 2.89Å; D250-Q256 HydrophobicContact CB-CB 4.41Å; D250-Q256 HydrophobicContact CB-CG 3.69Å; D250-Q256 WeakPolarHBondContact OD2-CG 3.29Å; D250-Q256 PolarHBondContact OD2-N 2.85Å
251	A	50.4	Low	65.2	Low	111 Å²	111	59.5 Å²	59.5	92%	0.917	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.8	158.6	0	0	0	0	0	112.8	Y249	Y249-A251 PolarHBondContact O-N 2.85Å
252	S	51.1	Low	66	Low	79 Å²	79	55.9 Å²	55.9	55%	0.552	31%	0.305	S	S	*	.	S	Bend	trans	-129.5	-10.9	-166.4	71.5	0	0	0	0	117.8	D250	D250-S252 VanDerWaalsContact C-N 3.27Å
253	Y	51.1	Low	66.8	Low	138 Å²	138	52.6 Å²	52.6	54%	0.541	29%	0.285	S	S	.	.	S	Bend	trans	-133.5	1.5	-169.3	-77.6	-69.6	0	0	0	118.6	D250 T255	D250-Y253 VanDerWaalsContact OD1-CA 3.26Å; D250-Y253 WeakPolarHBondContact OD1-CA 3.33Å; D250-Y253 PolarHBondContact OD1-N 3.28Å; Y253-T255 PolarHBondContact O-N 3.06Å
254	K	56.3	Low	67.7	Low	161 Å²	161	52.7 Å²	52.7	70%	0.7	29%	0.286	S	S	*	.			trans	51.3	22.8	177.9	-58	-173.3	177.9	-172.1	0	114.1	D250 D257	D250-K254 PolarHBondContact OD1-N 3.07Å; K254-D257 PolarHBondContact O-N 3.22Å
255	T	52.7	Low	68.8	Low	20 Å²	20	51.6 Å²	51.6	12%	0.123	28%	0.28	C	S	.	.			trans	-72.7	-29.8	-180	37.2	0	0	0	0	113.1	D250 Y253 D257 C258 F554	D250-T255 PolarHBondContact OD1-OG1 3.12Å; D250-T255 VanDerWaalsContact OD2-CA 3.25Å; D250-T255 WeakPolarHBondContact OD2-CA 3.41Å; D250-T255 WeakPolarHBondContact OD2-CB 3.32Å; D250-T255 PolarHBondContact OD2-N 3.36Å; D250-T255 PolarHBondContact OD2-OG1 2.89Å; Y253-T255 PolarHBondContact O-N 3.06Å; T255-D257 PolarHBondContact O-N 2.92Å; T255-C258 PolarHBondContact O-N 3.34Å; T255-F554 HydrophobicContact CG2-CZ 4.33Å
256	Q	52.7	Low	69.7	Low	29 Å²	29	46.8 Å²	46.8	14%	0.136	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-60.7	-32.4	171.9	-78	-179.8	38.8	0	0	113	L246 A247 D250 C258 L259	L246-Q256 VanDerWaalsContact C-CD 3.49Å; L246-Q256 HydrophobicContact CB-CG 3.76Å; L246-Q256 VanDerWaalsContact O-CD 3.28Å; L246-Q256 WeakPolarHBondContact O-CG 3.4Å; L246-Q256 PolarHBondContact O-NE2 3.35Å; A247-Q256 VanDerWaalsContact CA-CD 3.42Å; A247-Q256 HydrophobicContact CB-CG 4.08Å; A247-Q256 PolarHBondContact O-NE2 3.39Å; D250-Q256 HydrophobicContact CB-CB 4.41Å; D250-Q256 HydrophobicContact CB-CG 3.69Å; D250-Q256 WeakPolarHBondContact OD2-CG 3.29Å; D250-Q256 PolarHBondContact OD2-N 2.85Å; Q256-C258 PolarHBondContact O-N 2.88Å; Q256-L259 PolarHBondContact O-N 3.03Å
257	D	58.1	Low	70.7	Confident	80 Å²	80	47 Å²	47	43%	0.428	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-73.3	5	-173.6	-65.1	-24.9	0	0	0	112.7	K254 T255 N417	K254-D257 PolarHBondContact O-N 3.22Å; T255-D257 PolarHBondContact O-N 2.92Å; D257-N417 PolarHBondContact O-ND2 3.39Å; D257-N417 PolarHBondContact O-OD1 3.42Å
258	C	66.1	Low	71.7	Confident	33 Å²	33	48.7 Å²	48.7	22%	0.223	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-111.2	-12.5	-178.9	-65	0	0	0	0	114	T255 Q256 N419 Q550	T255-C258 PolarHBondContact O-N 3.34Å; Q256-C258 PolarHBondContact O-N 2.88Å; C258-N419 WeakPolarHBondContact O-CB 3.15Å; C258-N419 PolarHBondContact O-ND2 3.16Å; C258-Q550 HydrophobicContact CB-CG 4.34Å
259	L	76.7	Confident	72.6	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.031	25%	0.251	C	S	.	.	S	Bend	trans	-84.4	135.9	-179.1	-76.2	-177.6	0	0	0	111.3	Y239 V242 L243 L246 Q256 N417 V547 Q550	Y239-L259 HydrophobicContact CE2-CD1 4.44Å; Y239-L259 HydrophobicContact CE2-CD2 4.18Å; V242-L259 HydrophobicContact CG1-CD1 4.23Å; L243-L259 HydrophobicContact CD2-CB 3.49Å; L243-L259 VanDerWaalsContact CD2-CB 3.49Å; L243-L259 HydrophobicContact CD2-CD1 3.57Å; L243-L259 HydrophobicContact CD2-CG 4.2Å; L243-L259 HydrophobicContact CG-CD1 4.19Å; L246-L259 HydrophobicContact CD1-CD1 3.31Å; L246-L259 HydrophobicContact CD1-CG 4.28Å; Q256-L259 PolarHBondContact O-N 3.03Å; L259-N417 PolarHBondContact O-ND2 3.34Å; L259-V547 HydrophobicContact CD2-CG2 4.2Å; L259-Q550 HydrophobicContact CD2-CG 4.5Å
260	P	84	Confident	73.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.			trans	-61.8	137.5	-178.9	-25.8	32.2	0	0	0	114.3	Y239 N419 F539 M542 V543 S546	Y239-P260 VanDerWaalsContact OH-CD 3.28Å; Y239-P260 WeakPolarHBondContact OH-CD 3.41Å; Y239-P260 PolarHBondContact OH-O 3.43Å; P260-N419 WeakPolarHBondContact CA-O 3.41Å; P260-N419 WeakPolarHBondContact CB-O 3.34Å; P260-N419 HydrophobicContact CG-CB 4.13Å; P260-F539 HydrophobicContact CB-CD2 4.34Å; P260-F539 HydrophobicContact CB-CE2 4.28Å; P260-F539 WeakPolarHBondContact O-CE2 3.35Å; P260-M542 HydrophobicContact CB-CB 4.32Å; P260-M542 HydrophobicContact CB-CG 4.24Å; P260-M542 HydrophobicContact CB-SD 4.3Å; P260-M542 HydrophobicContact CG-CB 4.01Å; P260-M542 HydrophobicContact CG-CG 3.75Å; P260-M542 HydrophobicContact CG-SD 4.31Å; P260-V543 HydrophobicContact CB-CG2 3.92Å; P260-V543 HydrophobicContact CG-CG2 3.94Å; P260-S546 WeakPolarHBondContact CD-OG 3.47Å; P260-S546 WeakPolarHBondContact CG-OG 3.23Å
261	R	88.3	Confident	75.4	Confident	35 Å²	35	42.5 Å²	42.5	13%	0.132	24%	0.238	C	C	.	.			trans	-141.2	147.6	172.3	-55.8	-176	-166.5	173.2	-0.5	108.1	I263 I386 A420 I421	R261-I263 HydrophobicContact CB-CG1 4.47Å; R261-I386 HydrophobicContact CB-CD1 4.2Å; R261-I386 HydrophobicContact CG-CD1 4.45Å; R261-A420 WeakPolarHBondContact O-CA 3.12Å; R261-I421 PolarHBondContact O-N 2.96Å
262	V	93.1	Very high	77.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116.7	173	-174.4	0	0	0	0	108	V384 L385 I386 I421 L423 V535 F539	V262-V384 PolarHBondContact N-O 3.34Å; V262-L385 HydrophobicContact CB-CD2 3.87Å; V262-L385 HydrophobicContact CB-CG 4.49Å; V262-L385 HydrophobicContact CG1-CD2 3.68Å; V262-L385 CarbonylContact O-C 3.5Å; V262-L385 WeakPolarHBondContact O-CA 3.12Å; V262-I386 PolarHBondContact O-N 3.13Å; V262-I421 CarbonylContact C-O 3.11Å; V262-I421 WeakPolarHBondContact CA-O 3.4Å; V262-I421 HydrophobicContact CG2-CB 4.43Å; V262-L423 HydrophobicContact CG1-CB 4.19Å; V262-V535 HydrophobicContact CB-CG1 4.48Å; V262-V535 HydrophobicContact CG1-CG1 3.83Å; V262-V535 HydrophobicContact CG2-CG1 3.86Å; V262-F539 HydrophobicContact CG2-CB 4.28Å; V262-F539 HydrophobicContact CG2-CD2 3.88Å; V262-F539 HydrophobicContact CG2-CG 4.34Å
263	I	93.4	Very high	78.9	Confident	2 Å²	2	35 Å²	35	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117.1	-172.2	-51.7	-171.9	0	0	0	107.8	R261 V265 L388 H414 M415 A420 I421 L423	R261-I263 HydrophobicContact CB-CG1 4.47Å; I263-V265 HydrophobicContact CG2-CG1 4.16Å; I263-L388 HydrophobicContact CG2-CD1 3.37Å; I263-L388 HydrophobicContact CG2-CG 4.02Å; I263-H414 HydrophobicContact CD1-CB 3.96Å; I263-H414 WeakPolarHBondContact CD1-O 3.45Å; I263-H414 HydrophobicContact CG2-CB 4.17Å; I263-M415 HydrophobicContact CG2-CG 4.39Å; I263-A420 HydrophobicContact CD1-CB 3.36Å; I263-A420 HydrophobicContact CG1-CB 4Å; I263-I421 PolarHBondContact N-O 3.13Å; I263-L423 PolarHBondContact O-N 3.27Å
264	V	93.8	Very high	80.7	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.8	-176.6	-172.8	0	0	0	0	108.6	K272 L385 I386 L388 L423 I425	V264-K272 HydrophobicContact CG1-CB 4.09Å; V264-L385 HydrophobicContact CG2-CD2 4.05Å; V264-I386 PolarHBondContact N-O 3.06Å; V264-L388 PolarHBondContact O-N 3.3Å; V264-L423 HydrophobicContact CG2-CD2 4.18Å; V264-I425 HydrophobicContact CG1-CD1 3.33Å; V264-I425 HydrophobicContact CG1-CG1 4.19Å
265	V	93	Very high	82.3	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.5	-180	-67.8	0	0	0	0	110.7	I263 L388 M415 I422 L423 C424 I425 V437 V441	I263-V265 HydrophobicContact CG2-CG1 4.16Å; V265-L388 HydrophobicContact CG1-CD1 3.79Å; V265-M415 HydrophobicContact CG1-CG 4.27Å; V265-M415 HydrophobicContact CG1-SD 3.85Å; V265-M415 HydrophobicContact CG2-CE 4.41Å; V265-I422 HydrophobicContact CG2-CG2 3.63Å; V265-L423 PolarHBondContact N-O 2.86Å; V265-C424 HydrophobicContact CG2-CB 4.49Å; V265-I425 PolarHBondContact O-N 2.85Å; V265-V437 HydrophobicContact CB-CG2 3.96Å; V265-V437 HydrophobicContact CG2-CG2 4Å; V265-V441 HydrophobicContact CG2-CG2 4.17Å
266	G	91.5	Very high	84.1	Confident	1 Å²	1	21 Å²	21	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	162.3	179.3	0	0	0	0	0	111	G390 V391 I425	G266-G390 WeakPolarHBondContact O-CA 3.34Å; G266-V391 PolarHBondContact O-N 2.98Å; G266-I425 WeakPolarHBondContact CA-O 3.42Å
267	D	89.7	Confident	85.8	Confident	26 Å²	26	19.7 Å²	19.7	14%	0.139	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-64.5	156.9	169.4	-63.5	-46.3	0	0	0	110.4	S269 S270 S435 N436 V437	D267-S269 PolarHBondContact O-N 3.27Å; D267-S270 WeakPolarHBondContact O-CB 3.26Å; D267-S270 PolarHBondContact O-N 3.37Å; D267-S270 VanDerWaalsContact O-N 3.09Å; D267-S270 PolarHBondContact O-OG 2.79Å; D267-S270 VanDerWaalsContact O-OG 3.13Å; D267-S435 VanDerWaalsContact OD2-CA 3.31Å; D267-S435 WeakPolarHBondContact OD2-CA 3.49Å; D267-S435 PolarHBondContact OD2-OG 2.84Å; D267-N436 PolarHBondContact OD1-N 3.43Å; D267-N436 PolarHBondContact OD2-N 2.91Å; D267-V437 PolarHBondContact OD1-N 3.12Å
268	Q	87.4	Confident	87.3	Confident	77 Å²	77	16.2 Å²	16.2	36%	0.36	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	131.5	174.9	-172	-176.8	2.7	0	0	110.4	S270 V391 I392	Q268-S270 VanDerWaalsContact C-N 3.3Å; Q268-S270 PolarHBondContact O-N 3.49Å; Q268-V391 PolarHBondContact N-O 3.43Å; Q268-V391 VanDerWaalsContact N-O 3.08Å; Q268-I392 HydrophobicContact CB-CG2 4.21Å
269	S	83.7	Confident	88.5	Confident	72 Å²	72	15.2 Å²	15.2	50%	0.503	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	12.3	-178.3	-51.8	0	0	0	0	116.5	D267 G271 K457	D267-S269 PolarHBondContact O-N 3.27Å; S269-G271 PolarHBondContact O-N 3.18Å; S269-G271 VanDerWaalsContact O-N 3.13Å; S269-K457 WeakPolarHBondContact O-CE 3.36Å; S269-K457 PolarHBondContact O-NZ 2.93Å
270	S	85.3	Confident	89	Confident	3 Å²	3	15 Å²	15	2%	0.021	9%	0.086	C	C	.	.	S	Bend	trans	-69.2	-2.8	173.1	74.2	0	0	0	0	114.5	D267 Q268 I425 T456	D267-S270 WeakPolarHBondContact O-CB 3.26Å; D267-S270 PolarHBondContact O-N 3.37Å; D267-S270 VanDerWaalsContact O-N 3.09Å; D267-S270 PolarHBondContact O-OG 2.79Å; D267-S270 VanDerWaalsContact O-OG 3.13Å; Q268-S270 VanDerWaalsContact C-N 3.3Å; Q268-S270 PolarHBondContact O-N 3.49Å; S270-I425 WeakPolarHBondContact CB-O 3.46Å; S270-I425 WeakPolarHBondContact O-CG2 3.11Å; S270-I425 PolarHBondContact OG-O 3Å; S270-I425 VanDerWaalsContact OG-O 3.13Å; S270-T456 PolarHBondContact O-OG1 3.45Å
271	G	85.4	Confident	89.1	Confident	14 Å²	14	17.3 Å²	17.3	14%	0.144	10%	0.097	C	C	.	.	S	Bend	trans	92.2	14	-179.7	0	0	0	0	0	114.6	S269 T273 S274 V275	S269-G271 PolarHBondContact O-N 3.18Å; S269-G271 VanDerWaalsContact O-N 3.13Å; G271-T273 PolarHBondContact O-N 3.26Å; G271-S274 WeakPolarHBondContact O-CA 3.32Å; G271-S274 WeakPolarHBondContact O-CB 3.34Å; G271-S274 PolarHBondContact O-N 2.89Å; G271-V275 PolarHBondContact O-N 2.97Å
272	K	88.3	Confident	88.8	Confident	21 Å²	21	15.7 Å²	15.7	9%	0.091	9%	0.091	C	C	.	.	H	α-helix	trans	-50.1	-50.4	-178	75.3	-168.5	-156.8	-44.6	0	114.8	V264 S274 V275 L276 T294 D387 L388 I425	V264-K272 HydrophobicContact CG1-CB 4.09Å; K272-S274 VanDerWaalsContact C-N 3.32Å; K272-S274 PolarHBondContact O-N 3.05Å; K272-V275 PolarHBondContact O-N 3.16Å; K272-L276 PolarHBondContact O-N 3.27Å; K272-L276 VanDerWaalsContact O-N 3.09Å; K272-T294 PolarHBondContact NZ-OG1 3.49Å; K272-D387 IonicContact NZ-OD2 3.38Å; K272-L388 WeakPolarHBondContact CE-O 3.49Å; K272-I425 HydrophobicContact CB-CD1 3.94Å
273	T	87.3	Confident	88.3	Confident	12 Å²	12	16.6 Å²	16.6	7%	0.074	9%	0.094	C	C	.	.	H	α-helix	trans	-71.2	-31.1	-179.4	-50.7	0	0	0	0	110.7	G271 L276 E277 F285 D387	G271-T273 PolarHBondContact O-N 3.26Å; T273-L276 PolarHBondContact O-N 2.8Å; T273-E277 VanDerWaalsContact O-CG 3.32Å; T273-E277 WeakPolarHBondContact O-CG 3.45Å; T273-E277 PolarHBondContact O-N 2.97Å; T273-F285 HydrophobicContact CG2-CB 3.31Å; T273-F285 HydrophobicContact CG2-CD1 4.26Å; T273-F285 HydrophobicContact CG2-CD2 3.6Å; T273-F285 HydrophobicContact CG2-CE2 4.48Å; T273-F285 HydrophobicContact CG2-CG 3.46Å; T273-F285 VanDerWaalsContact CG2-CG 3.46Å; T273-D387 PolarHBondContact OG1-OD2 3Å
274	S	88.2	Confident	87.8	Confident	20 Å²	20	16.5 Å²	16.5	14%	0.14	9%	0.094	C	C	.	.	H	α-helix	trans	-65.9	-42.5	173.2	-54.4	0	0	0	0	112.5	G271 K272 L276 E277 M278 R287	G271-S274 WeakPolarHBondContact O-CA 3.32Å; G271-S274 WeakPolarHBondContact O-CB 3.34Å; G271-S274 PolarHBondContact O-N 2.89Å; K272-S274 VanDerWaalsContact C-N 3.32Å; K272-S274 PolarHBondContact O-N 3.05Å; S274-L276 VanDerWaalsContact C-N 3.3Å; S274-L276 PolarHBondContact O-N 3.24Å; S274-E277 PolarHBondContact O-N 3.4Å; S274-M278 VanDerWaalsContact O-CG 3.32Å; S274-M278 WeakPolarHBondContact O-CG 3.37Å; S274-M278 PolarHBondContact O-N 3.47Å; S274-R287 VanDerWaalsContact CA-NH2 3.26Å; S274-R287 PolarHBondContact OG-NH1 2.95Å; S274-R287 PolarHBondContact OG-NH2 3Å
275	V	90.3	Very high	87.3	Confident	2 Å²	2	16.4 Å²	16.4	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-62	-42.7	174.7	177	0	0	0	0	109.9	G271 K272 M278 V279 I425 T456 V490 A492 M531	G271-V275 PolarHBondContact O-N 2.97Å; K272-V275 PolarHBondContact O-N 3.16Å; V275-M278 PolarHBondContact O-N 3.43Å; V275-V279 HydrophobicContact CG1-CG2 4.49Å; V275-V279 VanDerWaalsContact O-CG2 3.3Å; V275-V279 WeakPolarHBondContact O-CG2 3.36Å; V275-V279 PolarHBondContact O-N 3.26Å; V275-I425 HydrophobicContact CB-CD1 3.89Å; V275-I425 HydrophobicContact CG1-CD1 4.18Å; V275-I425 HydrophobicContact CG2-CD1 4.04Å; V275-I425 HydrophobicContact CG2-CG2 4.44Å; V275-T456 HydrophobicContact CG2-CG2 3.69Å; V275-V490 HydrophobicContact CG2-CG2 4.17Å; V275-A492 HydrophobicContact CG2-CB 4.27Å; V275-M531 HydrophobicContact CG1-CE 3.76Å; V275-M531 HydrophobicContact CG1-SD 4.15Å
276	L	90.5	Very high	86.6	Confident	4 Å²	4	17 Å²	17	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-44.7	177.7	-151.7	159.8	0	0	0	112.1	K272 T273 S274 M278 V279 A280 F285 V300 L385 D387	K272-L276 PolarHBondContact O-N 3.27Å; K272-L276 VanDerWaalsContact O-N 3.09Å; T273-L276 PolarHBondContact O-N 2.8Å; S274-L276 VanDerWaalsContact C-N 3.3Å; S274-L276 PolarHBondContact O-N 3.24Å; L276-M278 VanDerWaalsContact C-N 3.3Å; L276-M278 PolarHBondContact O-N 2.9Å; L276-V279 PolarHBondContact O-N 3.24Å; L276-A280 HydrophobicContact CD2-CB 4.33Å; L276-A280 WeakPolarHBondContact O-CB 3.41Å; L276-A280 PolarHBondContact O-N 3.05Å; L276-F285 HydrophobicContact CB-CE2 4.23Å; L276-F285 HydrophobicContact CD1-CE2 4.25Å; L276-F285 HydrophobicContact CD1-CZ 4.06Å; L276-F285 HydrophobicContact CD2-CE2 3.45Å; L276-F285 VanDerWaalsContact CD2-CE2 3.45Å; L276-F285 HydrophobicContact CD2-CZ 3.78Å; L276-F285 HydrophobicContact CG-CE2 4.15Å; L276-F285 HydrophobicContact CG-CZ 4.42Å; L276-V300 HydrophobicContact CD2-CB 4.3Å; L276-V300 HydrophobicContact CD2-CG1 4.37Å; L276-V300 HydrophobicContact CD2-CG2 4.06Å; L276-L385 HydrophobicContact CD1-CB 4.4Å; L276-L385 HydrophobicContact CG-CD1 4.45Å; L276-D387 HydrophobicContact CD1-CB 3.74Å
277	E	88.6	Confident	85.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.7	-39.6	175.8	-73.8	178.9	-175.3	0	0	112.4	T273 S274 A280 Q281 A282 R283 F285 R287 I501	T273-E277 VanDerWaalsContact O-CG 3.32Å; T273-E277 WeakPolarHBondContact O-CG 3.45Å; T273-E277 PolarHBondContact O-N 2.97Å; S274-E277 PolarHBondContact O-N 3.4Å; E277-A280 PolarHBondContact O-N 3.05Å; E277-Q281 CarbonylContact O-C 3.51Å; E277-Q281 VanDerWaalsContact O-CA 3.29Å; E277-Q281 WeakPolarHBondContact O-CA 3.4Å; E277-Q281 PolarHBondContact O-N 3.44Å; E277-A282 WeakPolarHBondContact CB-O 3.44Å; E277-A282 WeakPolarHBondContact CG-O 3.25Å; E277-A282 PolarHBondContact O-N 3.37Å; E277-A282 VanDerWaalsContact O-N 3.13Å; E277-R283 WeakPolarHBondContact OE2-CD 3.02Å; E277-R283 IonicContact OE2-CZ 2.7Å; E277-R283 IonicContact OE2-NE 3.4Å; E277-R283 IonicContact OE2-NH1 2.78Å; E277-R283 PolarHBondContact OE2-NH1 2.84Å; E277-F285 HydrophobicContact CG-CD2 3.85Å; E277-R287 VanDerWaalsContact CD-NE 3.33Å; E277-R287 VanDerWaalsContact CD-NH2 3.33Å; E277-R287 IonicContact OE1-CZ 3.7Å; E277-R287 IonicContact OE1-NE 2.65Å; E277-R287 PolarHBondContact OE1-NE 3.06Å; E277-R287 IonicContact OE1-NH2 3.38Å; E277-R287 IonicContact OE2-CZ 3.1Å; E277-R287 IonicContact OE2-NE 3.72Å; E277-R287 PolarHBondContact OE2-NE 3.42Å; E277-R287 VanDerWaalsContact OE2-NE 3.09Å; E277-R287 IonicContact OE2-NH2 3.8Å; E277-R287 PolarHBondContact OE2-NH2 3.39Å; E277-I501 HydrophobicContact CB-CD1 4.36Å
278	M	88.7	Confident	84.4	Confident	8 Å²	8	21.3 Å²	21.3	4%	0.039	12%	0.12	C	C	.	.	H	α-helix	trans	-67	-36.2	176	-70.4	-65.6	-67.8	0	0	112.3	S274 V275 L276 Q281 A492 I501 I504 K505 T528	S274-M278 VanDerWaalsContact O-CG 3.32Å; S274-M278 WeakPolarHBondContact O-CG 3.37Å; S274-M278 PolarHBondContact O-N 3.47Å; V275-M278 PolarHBondContact O-N 3.43Å; L276-M278 VanDerWaalsContact C-N 3.3Å; L276-M278 PolarHBondContact O-N 2.9Å; M278-Q281 PolarHBondContact O-N 3.17Å; M278-A492 HydrophobicContact CG-CB 4.11Å; M278-I501 HydrophobicContact SD-CD1 3.96Å; M278-I501 HydrophobicContact SD-CG2 4.04Å; M278-I504 HydrophobicContact CE-CB 4.18Å; M278-I504 HydrophobicContact CE-CG2 3.7Å; M278-I504 HydrophobicContact SD-CB 3.92Å; M278-I504 HydrophobicContact SD-CD1 4.25Å; M278-I504 HydrophobicContact SD-CG2 3.62Å; M278-K505 HydrophobicContact CE-CG 3.58Å; M278-T528 HydrophobicContact CB-CG2 3.81Å
279	V	90.5	Very high	83.3	Confident	12 Å²	12	22.2 Å²	22.2	7%	0.073	14%	0.136	C	C	.	.	H	α-helix	trans	-73	-40.7	176.4	178	0	0	0	0	111.5	V275 L276 Q281 L302 P381 M383 L385 T528 M531	V275-V279 HydrophobicContact CG1-CG2 4.49Å; V275-V279 VanDerWaalsContact O-CG2 3.3Å; V275-V279 WeakPolarHBondContact O-CG2 3.36Å; V275-V279 PolarHBondContact O-N 3.26Å; L276-V279 PolarHBondContact O-N 3.24Å; V279-Q281 PolarHBondContact O-N 3.46Å; V279-L302 HydrophobicContact CG1-CD1 3.67Å; V279-P381 HydrophobicContact CG1-CG 4.29Å; V279-M383 HydrophobicContact CG1-CE 4.29Å; V279-M383 HydrophobicContact CG1-SD 4.3Å; V279-L385 HydrophobicContact CG1-CD1 4.1Å; V279-T528 HydrophobicContact CG2-CG2 4.22Å; V279-M531 HydrophobicContact CG2-CE 3.73Å
280	A	87.7	Confident	82.4	Confident	0 Å²	0	22 Å²	22	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-76	-10.9	175.2	0	0	0	0	0	113.4	L276 E277 A282 L302 H308	L276-A280 HydrophobicContact CD2-CB 4.33Å; L276-A280 WeakPolarHBondContact O-CB 3.41Å; L276-A280 PolarHBondContact O-N 3.05Å; E277-A280 PolarHBondContact O-N 3.05Å; A280-A282 PolarHBondContact O-N 2.97Å; A280-L302 HydrophobicContact CB-CD2 3.92Å; A280-H308 PolarHBondContact O-NE2 3.38Å
281	Q	85.8	Confident	81.8	Confident	50 Å²	50	28.3 Å²	28.3	23%	0.234	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	21.9	-173.9	-55.2	-174.7	-5.7	0	0	114.8	E277 M278 V279 H308 L380 I501 K505	E277-Q281 CarbonylContact O-C 3.51Å; E277-Q281 VanDerWaalsContact O-CA 3.29Å; E277-Q281 WeakPolarHBondContact O-CA 3.4Å; E277-Q281 PolarHBondContact O-N 3.44Å; M278-Q281 PolarHBondContact O-N 3.17Å; V279-Q281 PolarHBondContact O-N 3.46Å; Q281-H308 PolarHBondContact O-CE1 3.34Å; Q281-H308 VanDerWaalsContact O-CE1 3.28Å; Q281-L380 HydrophobicContact CB-CD2 3.99Å; Q281-L380 HydrophobicContact CG-CD2 3.6Å; Q281-I501 HydrophobicContact CB-CG2 4.49Å; Q281-K505 VanDerWaalsContact CD-NZ 3.29Å; Q281-K505 VanDerWaalsContact NE2-NZ 3.16Å
282	A	83.1	Confident	81.5	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.008	17%	0.174	C	C	.	.	S	Bend	trans	-139.8	139.1	-177	0	0	0	0	0	111.4	E277 A280 I284 L321	E277-A282 WeakPolarHBondContact CB-O 3.44Å; E277-A282 WeakPolarHBondContact CG-O 3.25Å; E277-A282 PolarHBondContact O-N 3.37Å; E277-A282 VanDerWaalsContact O-N 3.13Å; A280-A282 PolarHBondContact O-N 2.97Å; A282-I284 VanDerWaalsContact C-N 3.25Å; A282-I284 HydrophobicContact CB-CB 4.34Å; A282-I284 HydrophobicContact CB-CG2 4.09Å; A282-I284 PolarHBondContact O-N 3.23Å; A282-L321 HydrophobicContact CB-CB 4.46Å; A282-L321 HydrophobicContact CB-CD1 3.88Å
283	R	82.5	Confident	81.1	Confident	18 Å²	18	30.6 Å²	30.6	7%	0.068	18%	0.182	C	C	.	.			trans	-78.9	73.5	173.2	-63.7	-65.4	-158.8	159.6	14.5	110.8	E277 R349 D499 I501	E277-R283 WeakPolarHBondContact OE2-CD 3.02Å; E277-R283 IonicContact OE2-CZ 2.7Å; E277-R283 IonicContact OE2-NE 3.4Å; E277-R283 IonicContact OE2-NH1 2.78Å; E277-R283 PolarHBondContact OE2-NH1 2.84Å; R283-R349 VanDerWaalsContact O-CZ 3.26Å; R283-R349 PolarHBondContact O-NE 2.96Å; R283-R349 PolarHBondContact O-NH2 2.98Å; R283-D499 PolarHBondContact NE-O 3.36Å; R283-D499 VanDerWaalsContact NE-O 3.17Å; R283-D499 PolarHBondContact NH2-O 2.74Å; R283-I501 HydrophobicContact CG-CD1 4.01Å; R283-I501 HydrophobicContact CG-CG1 4.1Å
284	I	83.4	Confident	80.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.18	C	C	.	.			trans	-99	-19.5	-163.8	113.7	-166.1	0	0	0	113.2	A282 L321 L348 I352 L373 V375	A282-I284 VanDerWaalsContact C-N 3.25Å; A282-I284 HydrophobicContact CB-CB 4.34Å; A282-I284 HydrophobicContact CB-CG2 4.09Å; A282-I284 PolarHBondContact O-N 3.23Å; I284-L321 HydrophobicContact CG2-CD2 4.03Å; I284-L348 HydrophobicContact CG2-CD2 3.43Å; I284-L348 VanDerWaalsContact CG2-CD2 3.43Å; I284-L348 HydrophobicContact CG2-CG 4.29Å; I284-I352 HydrophobicContact CG1-CD1 4.35Å; I284-I352 VanDerWaalsContact O-CD1 3.28Å; I284-I352 WeakPolarHBondContact O-CD1 3.34Å; I284-L373 HydrophobicContact CD1-CD2 3.59Å; I284-L373 HydrophobicContact CG1-CD2 4.11Å; I284-V375 HydrophobicContact CD1-CG2 4.15Å
285	F	83.3	Confident	80.8	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.009	19%	0.189	C	C	.	.	S	Bend	trans	-99.6	154.3	-175.7	-66	-81.9	0	0	0	112.7	T273 L276 E277 R287 V298 V300	T273-F285 HydrophobicContact CG2-CB 3.31Å; T273-F285 HydrophobicContact CG2-CD1 4.26Å; T273-F285 HydrophobicContact CG2-CD2 3.6Å; T273-F285 HydrophobicContact CG2-CE2 4.48Å; T273-F285 HydrophobicContact CG2-CG 3.46Å; T273-F285 VanDerWaalsContact CG2-CG 3.46Å; L276-F285 HydrophobicContact CB-CE2 4.23Å; L276-F285 HydrophobicContact CD1-CE2 4.25Å; L276-F285 HydrophobicContact CD1-CZ 4.06Å; L276-F285 HydrophobicContact CD2-CE2 3.45Å; L276-F285 VanDerWaalsContact CD2-CE2 3.45Å; L276-F285 HydrophobicContact CD2-CZ 3.78Å; L276-F285 HydrophobicContact CG-CE2 4.15Å; L276-F285 HydrophobicContact CG-CZ 4.42Å; E277-F285 HydrophobicContact CG-CD2 3.85Å; F285-R287 PolarHBondContact O-N 3Å; F285-V298 HydrophobicContact CE1-CB 4.06Å; F285-V298 HydrophobicContact CE1-CG1 3.91Å; F285-V298 HydrophobicContact CE1-CG2 4.18Å; F285-V298 HydrophobicContact CZ-CG1 4.44Å; F285-V300 HydrophobicContact CZ-CG2 3.78Å
286	P	76.5	Confident	80.8	Confident	15 Å²	15	33.5 Å²	33.5	10%	0.097	19%	0.189	C	C	.	.			trans	-63	134.8	171.4	25.7	-32.9	0	0	0	110.6	M293	P286-M293 HydrophobicContact CB-SD 4.4Å
287	R	71.9	Confident	80.8	Confident	86 Å²	86	33.3 Å²	33.3	33%	0.325	19%	0.188	S	C	.	.			trans	-111.2	137.4	177	-63.9	-57.3	-156.7	148.7	9.1	109.4	S274 E277 F285 M293	S274-R287 VanDerWaalsContact CA-NH2 3.26Å; S274-R287 PolarHBondContact OG-NH1 2.95Å; S274-R287 PolarHBondContact OG-NH2 3Å; E277-R287 VanDerWaalsContact CD-NE 3.33Å; E277-R287 VanDerWaalsContact CD-NH2 3.33Å; E277-R287 IonicContact OE1-CZ 3.7Å; E277-R287 IonicContact OE1-NE 2.65Å; E277-R287 PolarHBondContact OE1-NE 3.06Å; E277-R287 IonicContact OE1-NH2 3.38Å; E277-R287 IonicContact OE2-CZ 3.1Å; E277-R287 IonicContact OE2-NE 3.72Å; E277-R287 PolarHBondContact OE2-NE 3.42Å; E277-R287 VanDerWaalsContact OE2-NE 3.09Å; E277-R287 IonicContact OE2-NH2 3.8Å; E277-R287 PolarHBondContact OE2-NH2 3.39Å; F285-R287 PolarHBondContact O-N 3Å; R287-M293 VanDerWaalsContact C-SD 3.6Å
288	G	64.3	Low	80.9	Confident	30 Å²	30	33.3 Å²	33.3	31%	0.309	19%	0.188	S	C	.	.			trans	-167.2	140.4	161.9	0	0	0	0	0	110.2	M293	G288-M293 PolarHBondContact N-SD 3.01Å; G288-M293 VanDerWaalsContact N-SD 3.38Å
289	S	63.3	Low	81	Confident	97 Å²	97	33.4 Å²	33.4	68%	0.678	19%	0.188	S	C	*	.	S	Bend	trans	-80.5	128.3	-176.5	-64.2	0	0	0	0	109.8	E291 Q497	S289-E291 VanDerWaalsContact C-N 3.33Å; S289-E291 PolarHBondContact O-N 3.29Å; S289-Q497 PolarHBondContact OG-NE2 3.4Å
290	G	65.5	Low	81	Confident	67 Å²	67	32.8 Å²	32.8	69%	0.691	19%	0.185	S	C	*	.	S	Bend	trans	85.8	-7.9	171.3	0	0	0	0	0	116.2
291	E	73	Confident	81.2	Confident	136 Å²	136	33.2 Å²	33.2	64%	0.636	19%	0.187	S	C	*	.	S	Bend	trans	-112	158	179.7	-70.5	-179.5	-171	0	0	112.6	S289 M293	S289-E291 VanDerWaalsContact C-N 3.33Å; S289-E291 PolarHBondContact O-N 3.29Å; E291-M293 HydrophobicContact CB-CE 3.66Å; E291-M293 PolarHBondContact O-N 2.93Å; E291-M293 VanDerWaalsContact O-N 3.17Å
292	M	77.9	Confident	81.4	Confident	32 Å²	32	30.9 Å²	30.9	16%	0.158	18%	0.176	C	C	.	.			trans	-77.2	100.9	175.6	-173.2	178.2	86.2	0	0	110.4	R295 T365 V366 M399 I407	M292-R295 HydrophobicContact CE-CB 4.15Å; M292-R295 HydrophobicContact CE-CG 3.68Å; M292-T365 HydrophobicContact CE-CG2 3.62Å; M292-V366 HydrophobicContact CE-CG2 3.52Å; M292-V366 HydrophobicContact SD-CG2 4.07Å; M292-M399 HydrophobicContact CE-CE 4.38Å; M292-M399 HydrophobicContact SD-CE 3.77Å; M292-I407 HydrophobicContact SD-CD1 4.27Å
293	M	80.2	Confident	81.6	Confident	50 Å²	50	30.9 Å²	30.9	25%	0.246	18%	0.176	C	C	.	.			trans	-81.3	-44.5	-179.2	-65.1	-70.9	141	0	0	113.2	P286 R287 G288 E291 R295	P286-M293 HydrophobicContact CB-SD 4.4Å; R287-M293 VanDerWaalsContact C-SD 3.6Å; G288-M293 PolarHBondContact N-SD 3.01Å; G288-M293 VanDerWaalsContact N-SD 3.38Å; E291-M293 HydrophobicContact CB-CE 3.66Å; E291-M293 PolarHBondContact O-N 2.93Å; E291-M293 VanDerWaalsContact O-N 3.17Å; M293-R295 PolarHBondContact O-N 3.17Å
294	T	84.1	Confident	81.8	Confident	6 Å²	6	35 Å²	35	4%	0.037	20%	0.196	C	C	.	.			trans	-90.7	98.6	-178.3	-42.2	0	0	0	0	110.1	K272 A296 M356 D387 P389	K272-T294 PolarHBondContact NZ-OG1 3.49Å; T294-A296 WeakPolarHBondContact CG2-O 3.2Å; T294-M356 HydrophobicContact CG2-CE 4.35Å; T294-D387 PolarHBondContact OG1-OD2 3.33Å; T294-P389 WeakPolarHBondContact O-CB 3.36Å
295	R	85.6	Confident	81.7	Confident	89 Å²	89	35.5 Å²	35.5	34%	0.336	20%	0.202	S	C	.	.			trans	-95.4	-12	-179.3	-52.5	-164.7	175.8	-179.4	-2.7	114.8	M292 M293 V360 V366 S367	M292-R295 HydrophobicContact CE-CB 4.15Å; M292-R295 HydrophobicContact CE-CG 3.68Å; M293-R295 PolarHBondContact O-N 3.17Å; R295-V360 HydrophobicContact CB-CG2 4.29Å; R295-V366 CarbonylContact O-C 3.45Å; R295-V366 VanDerWaalsContact O-CA 3.23Å; R295-V366 WeakPolarHBondContact O-CA 3.47Å; R295-V366 WeakPolarHBondContact O-CG1 3.12Å; R295-S367 PolarHBondContact O-N 2.85Å
296	A	89.5	Confident	81.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-142.3	150.4	-180	0	0	0	0	0	108.9	T294 I371	T294-A296 WeakPolarHBondContact CG2-O 3.2Å; A296-I371 HydrophobicContact CB-CD1 4.46Å
297	P	91	Very high	82	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.			trans	-57	135.6	172.5	-25.7	34.7	0	0	0	112.3	S367 V370 I371 I386 D387 L388 I410	P297-S367 VanDerWaalsContact CD-O 3.25Å; P297-S367 WeakPolarHBondContact CD-O 3.49Å; P297-V370 HydrophobicContact CB-CG1 4.4Å; P297-V370 HydrophobicContact CB-CG2 4.1Å; P297-V370 WeakPolarHBondContact O-CA 3.48Å; P297-I371 PolarHBondContact O-N 3.06Å; P297-I386 HydrophobicContact CB-CG2 4.27Å; P297-D387 CarbonylContact C-O 3.53Å; P297-D387 VanDerWaalsContact CA-O 3.29Å; P297-D387 WeakPolarHBondContact CA-O 3.45Å; P297-L388 HydrophobicContact CB-CD2 3.87Å; P297-L388 HydrophobicContact CG-CD2 4.03Å; P297-I410 HydrophobicContact CG-CG2 3.7Å
298	V	91.1	Very high	82.7	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.3	175.2	-171.6	0	0	0	0	109.9	F285 V300 M356 I371 I386 D387	F285-V298 HydrophobicContact CE1-CB 4.06Å; F285-V298 HydrophobicContact CE1-CG1 3.91Å; F285-V298 HydrophobicContact CE1-CG2 4.18Å; F285-V298 HydrophobicContact CZ-CG1 4.44Å; V298-V300 HydrophobicContact CG1-CG2 3.98Å; V298-M356 HydrophobicContact CG2-CE 3.19Å; V298-I371 CarbonylContact C-O 3.57Å; V298-I371 WeakPolarHBondContact CA-O 3.3Å; V298-I386 CarbonylContact O-C 3.58Å; V298-I386 WeakPolarHBondContact O-CA 3.37Å; V298-D387 HydrophobicContact CB-CB 4.43Å; V298-D387 PolarHBondContact N-O 3.27Å; V298-D387 PolarHBondContact O-N 3.21Å
299	K	90.7	Very high	83.8	Confident	9 Å²	9	44.8 Å²	44.8	4%	0.039	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	112.5	171.6	176.3	-174.6	170	-174.5	0	108.5	D244 V370 I371 A372 L373 V384 L385 I386	D244-K299 IonicContact OD1-NZ 2.9Å; D244-K299 PolarHBondContact OD1-NZ 2.75Å; D244-K299 IonicContact OD2-NZ 3.01Å; K299-V370 HydrophobicContact CB-CG1 3.63Å; K299-I371 PolarHBondContact N-O 3.47Å; K299-A372 WeakPolarHBondContact O-CA 3.22Å; K299-L373 PolarHBondContact O-N 2.79Å; K299-V384 HydrophobicContact CD-CG1 4.37Å; K299-V384 HydrophobicContact CG-CG1 3.93Å; K299-L385 CarbonylContact C-O 3.57Å; K299-L385 WeakPolarHBondContact CA-O 3.33Å; K299-I386 HydrophobicContact CB-CG1 4.35Å
300	V	91.3	Very high	85	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112.3	173.2	-176.1	0	0	0	0	109.4	L276 F285 V298 L302 L373 V375 L385	L276-V300 HydrophobicContact CD2-CB 4.3Å; L276-V300 HydrophobicContact CD2-CG1 4.37Å; L276-V300 HydrophobicContact CD2-CG2 4.06Å; F285-V300 HydrophobicContact CZ-CG2 3.78Å; V298-V300 HydrophobicContact CG1-CG2 3.98Å; V300-L302 HydrophobicContact CG1-CD2 3.7Å; V300-L302 HydrophobicContact CG1-CG 4.3Å; V300-L373 CarbonylContact C-O 3.47Å; V300-L373 VanDerWaalsContact CA-O 3.31Å; V300-L373 WeakPolarHBondContact CA-O 3.47Å; V300-V375 HydrophobicContact CG1-CG2 4.02Å; V300-L385 PolarHBondContact N-O 3.47Å; V300-L385 PolarHBondContact O-N 3.2Å
301	T	90.4	Very high	86	Confident	9 Å²	9	40.6 Å²	40.6	6%	0.055	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	113.9	171	-61.3	0	0	0	0	108.5	I236 S240 L373 A374 V375 V384	I236-T301 HydrophobicContact CG1-CG2 4.12Å; S240-T301 PolarHBondContact OG-OG1 3.4Å; T301-L373 PolarHBondContact N-O 3.01Å; T301-A374 WeakPolarHBondContact O-CA 3.49Å; T301-V375 PolarHBondContact O-N 2.72Å; T301-V384 HydrophobicContact CG2-CG2 4.32Å
302	L	90.5	Very high	86.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.8	174.9	-60.8	-177.1	0	0	0	110.1	V279 A280 V300 V375 P381 R382 M383 L385	V279-L302 HydrophobicContact CG1-CD1 3.67Å; A280-L302 HydrophobicContact CB-CD2 3.92Å; V300-L302 HydrophobicContact CG1-CD2 3.7Å; V300-L302 HydrophobicContact CG1-CG 4.3Å; L302-V375 WeakPolarHBondContact CA-O 3.37Å; L302-V375 HydrophobicContact CD2-CB 3.89Å; L302-V375 HydrophobicContact CD2-CG1 4.3Å; L302-P381 VanDerWaalsContact CB-O 3.29Å; L302-P381 WeakPolarHBondContact CB-O 3.37Å; L302-R382 WeakPolarHBondContact O-CA 3.07Å; L302-M383 HydrophobicContact CB-CG 4.46Å; L302-M383 HydrophobicContact CD1-CG 4.07Å; L302-M383 PolarHBondContact N-O 3.27Å; L302-M383 PolarHBondContact O-N 3.07Å; L302-L385 HydrophobicContact CD1-CD1 3.5Å; L302-L385 VanDerWaalsContact CD1-CD1 3.5Å; L302-L385 HydrophobicContact CG-CD1 4.04Å
303	S	88.2	Confident	86.5	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.014	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.1	173.9	67.7	0	0	0	0	111.9	I236 V375 Q376 G377	I236-S303 VanDerWaalsContact CG2-CB 3.42Å; S303-V375 PolarHBondContact N-O 2.71Å; S303-Q376 WeakPolarHBondContact O-CA 3.31Å; S303-Q376 WeakPolarHBondContact OG-CB 3.44Å; S303-Q376 VanDerWaalsContact OG-CG 3.22Å; S303-Q376 WeakPolarHBondContact OG-CG 3.15Å; S303-G377 PolarHBondContact O-N 3.44Å
304	E	85.3	Confident	86.2	Confident	104 Å²	104	41.1 Å²	41.1	49%	0.486	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	129.3	171.5	-172.8	177.4	-169.1	0	0	108.9	G377 R382	E304-G377 WeakPolarHBondContact CA-O 3.27Å; E304-R382 HydrophobicContact CB-CG 4.37Å; E304-R382 IonicContact OE2-CZ 3.35Å; E304-R382 IonicContact OE2-NE 2.8Å; E304-R382 PolarHBondContact OE2-NE 3.44Å; E304-R382 IonicContact OE2-NH2 3.68Å; E304-R382 PolarHBondContact OE2-NH2 2.96Å
305	G	82.9	Confident	85.8	Confident	11 Å²	11	42.4 Å²	42.4	11%	0.113	21%	0.207	C	C	.	.			trans	-149.5	159.3	-179.5	0	0	0	0	0	112	Y307 G377 P378	G305-Y307 VanDerWaalsContact C-N 3.28Å; G305-Y307 PolarHBondContact O-N 2.88Å; G305-G377 PolarHBondContact N-O 2.93Å; G305-G377 CarbonylContact O-C 3.44Å; G305-P378 VanDerWaalsContact O-CA 3.28Å; G305-P378 WeakPolarHBondContact O-CA 3.44Å
306	P	82.1	Confident	85.2	Confident	110 Å²	110	44.6 Å²	44.6	71%	0.714	22%	0.221	S	C	*	.	S	Bend	trans	-70.8	-25.2	178.7	28	-33.6	0	0	0	113
307	Y	82.7	Confident	84.7	Confident	170 Å²	170	49.7 Å²	49.7	67%	0.667	24%	0.24	S	C	*	.	S	Bend	trans	-121.1	147.3	-179.3	-56.8	-69.2	0	0	0	109.8	G305 I309 Q376 G377	G305-Y307 VanDerWaalsContact C-N 3.28Å; G305-Y307 PolarHBondContact O-N 2.88Å; Y307-I309 PolarHBondContact O-N 3.03Å; Y307-Q376 CarbonylContact O-C 3.57Å; Y307-Q376 VanDerWaalsContact O-O 3.08Å; Y307-G377 WeakPolarHBondContact O-CA 3.35Å
308	H	86.7	Confident	84.2	Confident	20 Å²	20	55.1 Å²	55.1	9%	0.093	27%	0.265	C	S	.	.			trans	-87.8	95.4	176	-162.2	-157	0	0	0	109.4	A280 Q281 L321 T322 Q376	A280-H308 PolarHBondContact O-NE2 3.38Å; Q281-H308 PolarHBondContact O-CE1 3.34Å; Q281-H308 VanDerWaalsContact O-CE1 3.28Å; H308-L321 HydrophobicContact CB-CB 4.26Å; H308-L321 WeakPolarHBondContact O-CB 3.42Å; H308-L321 PolarHBondContact O-N 3.4Å; H308-T322 HydrophobicContact CB-CG2 3.82Å; H308-Q376 CarbonylContact C-O 3.54Å; H308-Q376 WeakPolarHBondContact CA-O 3.48Å; H308-Q376 PolarHBondContact CD2-O 2.89Å
309	I	88	Confident	83.8	Confident	28 Å²	28	55.1 Å²	55.1	14%	0.144	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.1	-174.2	59.8	170.1	0	0	0	111.1	Y307 E318 F319 V375 Q376	Y307-I309 PolarHBondContact O-N 3.03Å; I309-E318 HydrophobicContact CD1-CG 4.49Å; I309-F319 CarbonylContact C-O 3.59Å; I309-F319 VanDerWaalsContact CA-O 3.22Å; I309-F319 WeakPolarHBondContact CA-O 3.37Å; I309-V375 CarbonylContact O-C 3.5Å; I309-V375 WeakPolarHBondContact O-CA 3.34Å; I309-Q376 HydrophobicContact CD1-CG 4.38Å; I309-Q376 HydrophobicContact CG1-CB 3.87Å; I309-Q376 HydrophobicContact CG1-CG 4.04Å; I309-Q376 PolarHBondContact N-O 2.82Å; I309-Q376 PolarHBondContact O-N 3.36Å
310	A	88.2	Confident	83.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.6	169.1	0	0	0	0	0	111	F319 L321 L348 L373 A374 V375	A310-F319 HydrophobicContact CB-CB 4.4Å; A310-F319 PolarHBondContact N-O 2.92Å; A310-F319 PolarHBondContact O-N 3.49Å; A310-L321 HydrophobicContact CB-CD1 4.13Å; A310-L321 HydrophobicContact CB-CD2 3.98Å; A310-L321 HydrophobicContact CB-CG 4.32Å; A310-L348 HydrophobicContact CB-CD2 3.54Å; A310-L373 HydrophobicContact CB-CD1 4.29Å; A310-A374 CarbonylContact C-O 3.44Å; A310-A374 VanDerWaalsContact CA-O 3.29Å; A310-A374 WeakPolarHBondContact CA-O 3.39Å; A310-V375 HydrophobicContact CB-CG2 4.15Å
311	K	87.3	Confident	82.8	Confident	75 Å²	75	56.7 Å²	56.7	33%	0.326	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	134.7	179.6	-177.8	174.7	-179.7	173.2	0	109.8	S315 E318 A374	K311-S315 WeakPolarHBondContact CE-O 3.37Å; K311-S315 WeakPolarHBondContact CG-O 3.24Å; K311-E318 HydrophobicContact CD-CG 4.42Å; K311-A374 PolarHBondContact N-O 3.27Å; K311-A374 PolarHBondContact O-N 3.27Å
312	F	85.9	Confident	81.8	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	146.7	169.3	-66.9	-85.2	0	0	0	110	D314 S315 F319 L348 E351 I352 R355 I371 L373	F312-D314 PolarHBondContact O-N 2.93Å; F312-S315 PolarHBondContact O-N 3.36Å; F312-F319 AromaticContact CD2-CE2 3.74Å; F312-F319 HydrophobicContact CD2-CE2 3.74Å; F312-F319 HydrophobicContact CD2-CZ 4.47Å; F312-F319 HydrophobicContact CE2-CD2 4.41Å; F312-F319 AromaticContact CE2-CE2 3.66Å; F312-F319 HydrophobicContact CE2-CE2 3.66Å; F312-F319 HydrophobicContact CE2-CZ 4.1Å; F312-L348 HydrophobicContact CD2-CD1 4.43Å; F312-L348 HydrophobicContact CE2-CD1 3.41Å; F312-L348 VanDerWaalsContact CE2-CD1 3.41Å; F312-L348 HydrophobicContact CZ-CD1 3.57Å; F312-E351 HydrophobicContact CE2-CB 4.31Å; F312-E351 HydrophobicContact CE2-CG 3.79Å; F312-E351 HydrophobicContact CZ-CB 4.28Å; F312-E351 HydrophobicContact CZ-CG 3.94Å; F312-I352 HydrophobicContact CE1-CG1 3.85Å; F312-I352 HydrophobicContact CZ-CD1 4.5Å; F312-I352 HydrophobicContact CZ-CG1 3.59Å; F312-R355 VanDerWaalsContact CD1-NH1 3.32Å; F312-R355 VanDerWaalsContact CG-NH1 3.25Å; F312-I371 HydrophobicContact CE1-CG2 4.33Å; F312-L373 HydrophobicContact CD1-CD1 3.91Å; F312-L373 HydrophobicContact CD2-CD1 4.41Å; F312-L373 HydrophobicContact CE1-CD1 3.88Å; F312-L373 HydrophobicContact CE2-CD1 4.37Å; F312-L373 HydrophobicContact CG-CD1 4.21Å; F312-L373 HydrophobicContact CZ-CD1 4.13Å
313	K	75.5	Confident	80.3	Confident	102 Å²	102	66.8 Å²	66.8	44%	0.443	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-39.8	-179.7	-170.8	-175.1	174.1	-166.7	0	112.8	D244 S315 A372	D244-K313 VanDerWaalsContact CB-NZ 3.29Å; D244-K313 VanDerWaalsContact CG-CE 3.48Å; D244-K313 IonicContact OD1-NZ 2.99Å; D244-K313 WeakPolarHBondContact OD2-CD 3.38Å; D244-K313 WeakPolarHBondContact OD2-CE 3.48Å; D244-K313 IonicContact OD2-NZ 2.6Å; D244-K313 PolarHBondContact OD2-NZ 2.82Å; K313-S315 VanDerWaalsContact C-N 3.33Å; K313-S315 PolarHBondContact O-N 3.36Å; K313-A372 HydrophobicContact CB-CB 4.1Å; K313-A372 HydrophobicContact CD-CB 4.35Å; K313-A372 PolarHBondContact N-O 3.48Å
314	D	74	Confident	78.7	Confident	124 Å²	124	69.8 Å²	69.8	66%	0.663	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-8	-174.3	-47.4	-45.7	0	0	0	113.5	R215 F312	R215-D314 PolarHBondContact NH1-O 3.13Å; F312-D314 PolarHBondContact O-N 2.93Å
315	S	74.1	Confident	77	Confident	33 Å²	33	67.7 Å²	67.7	23%	0.231	34%	0.336	C	S	.	.			trans	-118.5	136.7	-174.6	-169.5	0	0	0	0	111.4	K311 F312 K313 R317	K311-S315 WeakPolarHBondContact CE-O 3.37Å; K311-S315 WeakPolarHBondContact CG-O 3.24Å; F312-S315 PolarHBondContact O-N 3.36Å; K313-S315 VanDerWaalsContact C-N 3.33Å; K313-S315 PolarHBondContact O-N 3.36Å; S315-R317 PolarHBondContact O-N 3.09Å; S315-R317 WeakPolarHBondContact OG-CB 3.44Å; S315-R317 PolarHBondContact OG-N 3.45Å; S315-R317 VanDerWaalsContact OG-N 3.16Å
316	E	73.8	Confident	75.3	Confident	135 Å²	135	71.7 Å²	71.7	63%	0.631	35%	0.354	S	S	*	.			trans	-76.9	-6.7	168.5	-73.8	178.2	-151.2	0	0	112.3	R215 E318	R215-E316 IonicContact CZ-OE1 3.51Å; R215-E316 IonicContact NE-OE1 3.7Å; R215-E316 VanDerWaalsContact NH2-CD 3.34Å; R215-E316 IonicContact NH2-OE1 2.88Å; R215-E316 PolarHBondContact NH2-OE1 3.37Å; E316-E318 PolarHBondContact O-N 2.85Å
317	R	78	Confident	73.4	Confident	107 Å²	107	70.3 Å²	70.3	40%	0.404	34%	0.344	S	S	.	.			trans	-70.3	123.2	-178.4	-170.7	175.9	-175.4	-179.3	4.3	111.3	S315 F319 E347	S315-R317 PolarHBondContact O-N 3.09Å; S315-R317 WeakPolarHBondContact OG-CB 3.44Å; S315-R317 PolarHBondContact OG-N 3.45Å; S315-R317 VanDerWaalsContact OG-N 3.16Å; R317-F319 HydrophobicContact CB-CE2 4.4Å; R317-F319 HydrophobicContact CG-CE2 4.08Å; R317-F319 HydrophobicContact CG-CZ 4.09Å; R317-E347 IonicContact CZ-OE1 3.75Å; R317-E347 IonicContact CZ-OE2 3.09Å; R317-E347 IonicContact NH1-OE1 3.69Å; R317-E347 PolarHBondContact NH1-OE1 3.22Å; R317-E347 IonicContact NH1-OE2 3.97Å; R317-E347 IonicContact NH2-OE1 2.8Å; R317-E347 PolarHBondContact NH2-OE1 2.85Å; R317-E347 IonicContact NH2-OE2 2.64Å; R317-E347 PolarHBondContact NH2-OE2 3.05Å
318	E	81.7	Confident	71.5	Confident	113 Å²	113	70.3 Å²	70.3	53%	0.528	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.2	172.5	-64.7	173.8	-176.2	0	0	109.9	I309 K311 E316	I309-E318 HydrophobicContact CD1-CG 4.49Å; K311-E318 HydrophobicContact CD-CG 4.42Å; E316-E318 PolarHBondContact O-N 2.85Å
319	F	81.6	Confident	69.3	Low	2 Å²	2	77 Å²	77	1%	0.009	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115	175.5	-61.4	-94	0	0	0	108.4	I309 A310 F312 R317 L321 E347 L348	I309-F319 CarbonylContact C-O 3.59Å; I309-F319 VanDerWaalsContact CA-O 3.22Å; I309-F319 WeakPolarHBondContact CA-O 3.37Å; A310-F319 HydrophobicContact CB-CB 4.4Å; A310-F319 PolarHBondContact N-O 2.92Å; A310-F319 PolarHBondContact O-N 3.49Å; F312-F319 AromaticContact CD2-CE2 3.74Å; F312-F319 HydrophobicContact CD2-CE2 3.74Å; F312-F319 HydrophobicContact CD2-CZ 4.47Å; F312-F319 HydrophobicContact CE2-CD2 4.41Å; F312-F319 AromaticContact CE2-CE2 3.66Å; F312-F319 HydrophobicContact CE2-CE2 3.66Å; F312-F319 HydrophobicContact CE2-CZ 4.1Å; R317-F319 HydrophobicContact CB-CE2 4.4Å; R317-F319 HydrophobicContact CG-CE2 4.08Å; R317-F319 HydrophobicContact CG-CZ 4.09Å; F319-L321 PolarHBondContact O-N 3.02Å; F319-E347 HydrophobicContact CE1-CG 4.19Å; F319-L348 HydrophobicContact CB-CB 4.44Å; F319-L348 HydrophobicContact CB-CD2 4.16Å; F319-L348 HydrophobicContact CD1-CB 3.98Å; F319-L348 HydrophobicContact CD2-CD1 3.91Å; F319-L348 HydrophobicContact CE1-CB 4.41Å; F319-L348 HydrophobicContact CE2-CD1 4.14Å; F319-L348 HydrophobicContact CG-CB 4.17Å; F319-L348 HydrophobicContact CG-CD1 4.11Å; F319-L348 HydrophobicContact CG-CD2 4.48Å
320	D	81.7	Confident	67.2	Low	36 Å²	36	82.5 Å²	82.5	19%	0.193	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	118.5	174.5	-174.8	-0.3	0	0	0	109.9	T322 K323	D320-T322 WeakPolarHBondContact OD1-CB 3.35Å; D320-T322 PolarHBondContact OD1-N 2.95Å; D320-T322 VanDerWaalsContact OD1-N 3.09Å; D320-T322 PolarHBondContact OD1-OG1 3.48Å; D320-T322 PolarHBondContact OD2-OG1 2.9Å; D320-K323 IonicContact OD2-NZ 2.62Å
321	L	79.6	Confident	65.1	Low	5 Å²	5	87.6 Å²	87.6	3%	0.026	44%	0.444	C	S	.	.			trans	-91.1	-9.5	-176.3	-54	174.7	0	0	0	112.3	A282 I284 H308 A310 F319 K323 L345 L348 V375	A282-L321 HydrophobicContact CB-CB 4.46Å; A282-L321 HydrophobicContact CB-CD1 3.88Å; I284-L321 HydrophobicContact CG2-CD2 4.03Å; H308-L321 HydrophobicContact CB-CB 4.26Å; H308-L321 WeakPolarHBondContact O-CB 3.42Å; H308-L321 PolarHBondContact O-N 3.4Å; A310-L321 HydrophobicContact CB-CD1 4.13Å; A310-L321 HydrophobicContact CB-CD2 3.98Å; A310-L321 HydrophobicContact CB-CG 4.32Å; F319-L321 PolarHBondContact O-N 3.02Å; L321-K323 VanDerWaalsContact C-N 3.29Å; L321-K323 PolarHBondContact O-N 3.48Å; L321-L345 HydrophobicContact CB-CD2 4.2Å; L321-L345 HydrophobicContact CD2-CD2 3.39Å; L321-L345 HydrophobicContact CD2-CG 4.45Å; L321-L345 HydrophobicContact CG-CD2 4.39Å; L321-L348 HydrophobicContact CD2-CD2 3.66Å; L321-V375 HydrophobicContact CD1-CG1 3.76Å
322	T	70.7	Confident	62.7	Low	89 Å²	89	87.5 Å²	87.5	55%	0.546	45%	0.45	S	S	.	.	S	Bend	trans	-74.8	-17.7	-176.4	63.3	0	0	0	0	113.9	H308 D320 E324	H308-T322 HydrophobicContact CB-CG2 3.82Å; D320-T322 WeakPolarHBondContact OD1-CB 3.35Å; D320-T322 PolarHBondContact OD1-N 2.95Å; D320-T322 VanDerWaalsContact OD1-N 3.09Å; D320-T322 PolarHBondContact OD1-OG1 3.48Å; D320-T322 PolarHBondContact OD2-OG1 2.9Å; T322-E324 PolarHBondContact O-N 3.24Å
323	K	58.6	Low	60.4	Low	132 Å²	132	96.7 Å²	96.7	57%	0.574	49%	0.486	S	S	*	.			trans	-99.2	76.8	-178.6	-67.7	175.1	-174.4	157	0	110.2	D320 L321 S325	D320-K323 IonicContact OD2-NZ 2.62Å; L321-K323 VanDerWaalsContact C-N 3.29Å; L321-K323 PolarHBondContact O-N 3.48Å; K323-S325 PolarHBondContact O-N 3.32Å; K323-S325 VanDerWaalsContact O-N 3.17Å
324	E	55.1	Low	58.7	Low	66 Å²	66	102 Å²	102	31%	0.308	51%	0.509	S	S	.	.			trans	-73.1	94.7	165.4	-74.5	-171.1	164.7	0	0	109.2	T322 L345 S500	T322-E324 PolarHBondContact O-N 3.24Å; E324-L345 HydrophobicContact CB-CD1 4.25Å; E324-L345 HydrophobicContact CG-CD1 3.44Å; E324-L345 VanDerWaalsContact CG-CD1 3.44Å; E324-S500 WeakPolarHBondContact OE2-CB 3.39Å
325	S	49.6	Very low	56.8	Low	60 Å²	60	102 Å²	102	42%	0.42	51%	0.514	S	S	.	.			trans	-118.6	88.1	158.4	63.9	0	0	0	0	108.3	K323 V327	K323-S325 PolarHBondContact O-N 3.32Å; K323-S325 VanDerWaalsContact O-N 3.17Å; S325-V327 VanDerWaalsContact C-N 3.32Å; S325-V327 PolarHBondContact O-N 3.37Å
326	D	46.7	Very low	55.1	Low	94 Å²	94	107.6 Å²	107.6	50%	0.503	54%	0.541	S	S	.	.			trans	-63.3	93.6	163.9	-74.8	-34.7	0	0	0	108
327	V	41	Very low	53.3	Low	82 Å²	82	105.3 Å²	105.3	50%	0.497	54%	0.539	S	S	.	.			trans	-127.7	105.6	165.1	-167.8	0	0	0	0	107.8	S325 Y329 F343	S325-V327 VanDerWaalsContact C-N 3.32Å; S325-V327 PolarHBondContact O-N 3.37Å; V327-Y329 PolarHBondContact O-N 2.93Å; V327-F343 HydrophobicContact CB-CE1 4.26Å
328	D	44.2	Very low	51.3	Low	169 Å²	169	110.5 Å²	110.5	90%	0.904	56%	0.56	S	S	*	*			trans	-60.9	49.6	167.9	-81.3	-31.2	0	0	0	112.8
329	Y	39.1	Very low	49.1	Very low	162 Å²	162	115.9 Å²	115.9	64%	0.635	58%	0.576	S	S	*	*			trans	-105.6	42.9	174.2	-143.9	-93.8	0	0	0	111.5	V327	V327-Y329 PolarHBondContact O-N 2.93Å
330	I	43.7	Very low	47	Very low	143 Å²	143	120.7 Å²	120.7	73%	0.733	61%	0.609	S	S	*	*			trans	-110.8	65.8	171.3	-53.2	178.7	0	0	0	108.3
331	S	45.4	Very low	44.9	Very low	106 Å²	106	129.2 Å²	129.2	74%	0.741	64%	0.638	S	S	*	*	S	Bend	trans	-135.1	-7.6	167.9	68	0	0	0	0	114.5
332	T	37.4	Very low	43.1	Very low	74 Å²	74	136.8 Å²	136.8	45%	0.454	67%	0.671	S	S	.	*	S	Bend	trans	-117.5	-14.2	-168.1	-53.4	0	0	0	0	116.7
333	Y	37.2	Very low	42.3	Very low	197 Å²	197	135.8 Å²	135.8	77%	0.773	66%	0.659	S	S	*	*			trans	-134.9	76.7	-177.2	-66	-78.1	0	0	0	113.8	T335	Y333-T335 PolarHBondContact O-N 3.09Å
334	K	38.5	Very low	42.7	Very low	212 Å²	212	132 Å²	132	92%	0.922	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	22.9	176.7	-162.7	173.6	176.3	174.8	0	113.7
335	T	34.7	Very low	43.4	Very low	124 Å²	124	129.3 Å²	129.3	76%	0.761	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.1	5.4	-167.2	-34.7	0	0	0	0	117.1	Y333	Y333-T335 PolarHBondContact O-N 3.09Å
336	L	38.2	Very low	44.6	Very low	152 Å²	152	128.4 Å²	128.4	80%	0.796	63%	0.628	S	S	*	*			trans	-119.8	91.1	171.9	-99.3	93.3	0	0	0	112.7
337	S	35.9	Very low	46.1	Very low	86 Å²	86	126.5 Å²	126.5	60%	0.601	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	137.3	151.3	-165.3	0	0	0	0	109.9
338	Y	37.4	Very low	48.2	Very low	216 Å²	216	122.6 Å²	122.6	85%	0.847	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	104.9	-3.8	163.5	-58.8	-74.7	0	0	0	123.7
339	R	34.1	Very low	50.1	Low	227 Å²	227	117.3 Å²	117.3	86%	0.857	56%	0.559	S	S	*	*			trans	-136.9	3.4	-174.8	-78.8	179.9	80	121.2	-6.7	121.9	R341	R339-R341 PolarHBondContact O-N 2.76Å
340	C	38	Very low	52.2	Low	102 Å²	102	116.2 Å²	116.2	69%	0.689	56%	0.555	S	S	*	*			trans	-90.6	88.4	-179.9	-79.5	0	0	0	0	113.7	F342	C340-F342 VanDerWaalsContact C-N 3.27Å; C340-F342 PolarHBondContact O-N 3.5Å
341	R	38.5	Very low	54.2	Low	216 Å²	216	111.6 Å²	111.6	82%	0.815	53%	0.53	S	S	*	.			trans	-80.6	6.4	172.1	-68.7	-171.6	-158.2	159	5.5	115	R339	R339-R341 PolarHBondContact O-N 2.76Å
342	F	42	Very low	56.1	Low	163 Å²	163	106.6 Å²	106.6	72%	0.715	50%	0.495	S	S	*	.	S	Bend	trans	-103.3	-3.9	-164.3	-68.6	-78.6	0	0	0	115.7	C340	C340-F342 VanDerWaalsContact C-N 3.27Å; C340-F342 PolarHBondContact O-N 3.5Å
343	F	52.6	Low	58.4	Low	69 Å²	69	105.9 Å²	105.9	30%	0.303	49%	0.487	S	S	.	.			trans	-130.5	58.7	-174.2	-61.7	-75.5	0	0	0	113.1	V327 L345 A346 E347	V327-F343 HydrophobicContact CB-CE1 4.26Å; F343-L345 PolarHBondContact O-N 3.46Å; F343-A346 HydrophobicContact CB-CB 4.39Å; F343-A346 PolarHBondContact O-N 3.43Å; F343-E347 VanDerWaalsContact O-CB 3.26Å; F343-E347 WeakPolarHBondContact O-CB 3.34Å; F343-E347 PolarHBondContact O-N 3.45Å
344	Q	66.5	Low	60.8	Low	52 Å²	52	99.3 Å²	99.3	24%	0.243	47%	0.465	C	S	.	.	H	α-helix	trans	-69	-33	-169	-59.8	-171.3	25.5	0	0	113.7	L348	Q344-L348 VanDerWaalsContact O-CB 3.3Å; Q344-L348 WeakPolarHBondContact O-CB 3.21Å; Q344-L348 PolarHBondContact O-N 2.85Å
345	L	71.6	Confident	63.1	Low	10 Å²	10	92.4 Å²	92.4	5%	0.052	43%	0.433	C	S	.	.	H	α-helix	trans	-70.8	-45.9	176.1	-78	167.1	0	0	0	113.2	L321 E324 F343 E347 L348 R349	L321-L345 HydrophobicContact CB-CD2 4.2Å; L321-L345 HydrophobicContact CD2-CD2 3.39Å; L321-L345 HydrophobicContact CD2-CG 4.45Å; L321-L345 HydrophobicContact CG-CD2 4.39Å; E324-L345 HydrophobicContact CB-CD1 4.25Å; E324-L345 HydrophobicContact CG-CD1 3.44Å; E324-L345 VanDerWaalsContact CG-CD1 3.44Å; F343-L345 PolarHBondContact O-N 3.46Å; L345-E347 VanDerWaalsContact C-N 3.29Å; L345-E347 PolarHBondContact O-N 3.49Å; L345-L348 PolarHBondContact O-N 3.48Å; L345-R349 WeakPolarHBondContact O-CG 3.46Å; L345-R349 PolarHBondContact O-N 3.01Å
346	A	74.1	Confident	65.6	Low	41 Å²	41	86.7 Å²	86.7	34%	0.339	40%	0.397	S	S	.	.	H	α-helix	trans	-64.4	-38.2	177.1	0	0	0	0	0	111.2	F343 R349 Y350	F343-A346 HydrophobicContact CB-CB 4.39Å; F343-A346 PolarHBondContact O-N 3.43Å; A346-R349 PolarHBondContact O-N 3.32Å; A346-Y350 WeakPolarHBondContact O-CB 3.35Å; A346-Y350 PolarHBondContact O-N 3.4Å
347	E	78.5	Confident	67.9	Low	53 Å²	53	85.8 Å²	85.8	25%	0.248	38%	0.384	C	S	.	.	H	α-helix	trans	-65	-42.6	174.2	-170.3	173.7	-168	0	0	112	R317 F319 F343 L345 R349 Y350 E351	R317-E347 IonicContact CZ-OE1 3.75Å; R317-E347 IonicContact CZ-OE2 3.09Å; R317-E347 IonicContact NH1-OE1 3.69Å; R317-E347 PolarHBondContact NH1-OE1 3.22Å; R317-E347 IonicContact NH1-OE2 3.97Å; R317-E347 IonicContact NH2-OE1 2.8Å; R317-E347 PolarHBondContact NH2-OE1 2.85Å; R317-E347 IonicContact NH2-OE2 2.64Å; R317-E347 PolarHBondContact NH2-OE2 3.05Å; F319-E347 HydrophobicContact CE1-CG 4.19Å; F343-E347 VanDerWaalsContact O-CB 3.26Å; F343-E347 WeakPolarHBondContact O-CB 3.34Å; F343-E347 PolarHBondContact O-N 3.45Å; L345-E347 VanDerWaalsContact C-N 3.29Å; L345-E347 PolarHBondContact O-N 3.49Å; E347-R349 PolarHBondContact O-N 3.44Å; E347-Y350 PolarHBondContact O-N 2.66Å; E347-E351 WeakPolarHBondContact O-CB 3.16Å; E347-E351 PolarHBondContact O-N 2.81Å
348	L	84.6	Confident	70.3	Confident	0 Å²	0	87.4 Å²	87.4	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-61	-44.3	174.8	179.1	59.2	0	0	0	111.8	I284 A310 F312 F319 L321 Q344 L345 E351 I352 L373	I284-L348 HydrophobicContact CG2-CD2 3.43Å; I284-L348 VanDerWaalsContact CG2-CD2 3.43Å; I284-L348 HydrophobicContact CG2-CG 4.29Å; A310-L348 HydrophobicContact CB-CD2 3.54Å; F312-L348 HydrophobicContact CD2-CD1 4.43Å; F312-L348 HydrophobicContact CE2-CD1 3.41Å; F312-L348 VanDerWaalsContact CE2-CD1 3.41Å; F312-L348 HydrophobicContact CZ-CD1 3.57Å; F319-L348 HydrophobicContact CB-CB 4.44Å; F319-L348 HydrophobicContact CB-CD2 4.16Å; F319-L348 HydrophobicContact CD1-CB 3.98Å; F319-L348 HydrophobicContact CD2-CD1 3.91Å; F319-L348 HydrophobicContact CE1-CB 4.41Å; F319-L348 HydrophobicContact CE2-CD1 4.14Å; F319-L348 HydrophobicContact CG-CB 4.17Å; F319-L348 HydrophobicContact CG-CD1 4.11Å; F319-L348 HydrophobicContact CG-CD2 4.48Å; L321-L348 HydrophobicContact CD2-CD2 3.66Å; Q344-L348 VanDerWaalsContact O-CB 3.3Å; Q344-L348 WeakPolarHBondContact O-CB 3.21Å; Q344-L348 PolarHBondContact O-N 2.85Å; L345-L348 PolarHBondContact O-N 3.48Å; L348-E351 PolarHBondContact O-N 2.95Å; L348-I352 HydrophobicContact CD1-CD1 4.09Å; L348-I352 HydrophobicContact CD1-CG1 4.29Å; L348-I352 HydrophobicContact CG-CD1 4.07Å; L348-I352 VanDerWaalsContact O-CG1 3.27Å; L348-I352 WeakPolarHBondContact O-CG1 3.24Å; L348-I352 PolarHBondContact O-N 3.48Å; L348-L373 HydrophobicContact CD1-CD1 4.18Å
349	R	83.4	Confident	72.6	Confident	59 Å²	59	77.6 Å²	77.6	22%	0.223	35%	0.349	C	S	.	.	H	α-helix	trans	-59.7	-48.7	175.1	-72.4	-178.3	-166.2	154.5	14.4	111.5	R283 L345 A346 E347 E351 I352 E353	R283-R349 VanDerWaalsContact O-CZ 3.26Å; R283-R349 PolarHBondContact O-NE 2.96Å; R283-R349 PolarHBondContact O-NH2 2.98Å; L345-R349 WeakPolarHBondContact O-CG 3.46Å; L345-R349 PolarHBondContact O-N 3.01Å; A346-R349 PolarHBondContact O-N 3.32Å; E347-R349 PolarHBondContact O-N 3.44Å; R349-E351 VanDerWaalsContact C-N 3.29Å; R349-E351 PolarHBondContact O-N 3.45Å; R349-I352 PolarHBondContact O-N 3.44Å; R349-E353 WeakPolarHBondContact O-CB 3.48Å; R349-E353 PolarHBondContact O-N 3.36Å
350	Y	83.6	Confident	75	Confident	139 Å²	139	68 Å²	68	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-42.9	178.4	178.2	-97.7	0	0	0	111.3	A346 E347 E353 L354	A346-Y350 WeakPolarHBondContact O-CB 3.35Å; A346-Y350 PolarHBondContact O-N 3.4Å; E347-Y350 PolarHBondContact O-N 2.66Å; Y350-E353 PolarHBondContact O-N 3.16Å; Y350-L354 HydrophobicContact CE1-CD2 4.32Å; Y350-L354 VanDerWaalsContact O-CB 3.29Å; Y350-L354 WeakPolarHBondContact O-CB 3.47Å; Y350-L354 PolarHBondContact O-N 3.3Å
351	E	84.9	Confident	77	Confident	45 Å²	45	67.3 Å²	67.3	21%	0.21	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-41.3	179	-170	83.5	174.1	0	0	112	F312 E347 L348 R349 L354 R355	F312-E351 HydrophobicContact CE2-CB 4.31Å; F312-E351 HydrophobicContact CE2-CG 3.79Å; F312-E351 HydrophobicContact CZ-CB 4.28Å; F312-E351 HydrophobicContact CZ-CG 3.94Å; E347-E351 WeakPolarHBondContact O-CB 3.16Å; E347-E351 PolarHBondContact O-N 2.81Å; L348-E351 PolarHBondContact O-N 2.95Å; R349-E351 VanDerWaalsContact C-N 3.29Å; R349-E351 PolarHBondContact O-N 3.45Å; E351-L354 PolarHBondContact O-N 2.87Å; E351-R355 WeakPolarHBondContact O-CG 3.29Å; E351-R355 PolarHBondContact O-N 2.89Å; E351-R355 IonicContact OE1-CZ 3.19Å; E351-R355 VanDerWaalsContact OE1-CZ 3.32Å; E351-R355 IonicContact OE1-NH1 3.51Å; E351-R355 PolarHBondContact OE1-NH1 2.83Å; E351-R355 IonicContact OE1-NH2 2.92Å; E351-R355 PolarHBondContact OE1-NH2 3.42Å
352	I	86.9	Confident	78.8	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-47.2	173.4	-69.5	169.6	0	0	0	110.1	I284 F312 L348 R349 L354 R355 M356 L373	I284-I352 HydrophobicContact CG1-CD1 4.35Å; I284-I352 VanDerWaalsContact O-CD1 3.28Å; I284-I352 WeakPolarHBondContact O-CD1 3.34Å; F312-I352 HydrophobicContact CE1-CG1 3.85Å; F312-I352 HydrophobicContact CZ-CD1 4.5Å; F312-I352 HydrophobicContact CZ-CG1 3.59Å; L348-I352 HydrophobicContact CD1-CD1 4.09Å; L348-I352 HydrophobicContact CD1-CG1 4.29Å; L348-I352 HydrophobicContact CG-CD1 4.07Å; L348-I352 VanDerWaalsContact O-CG1 3.27Å; L348-I352 WeakPolarHBondContact O-CG1 3.24Å; L348-I352 PolarHBondContact O-N 3.48Å; R349-I352 PolarHBondContact O-N 3.44Å; I352-L354 VanDerWaalsContact C-N 3.32Å; I352-L354 PolarHBondContact O-N 3.46Å; I352-R355 PolarHBondContact O-N 3.31Å; I352-M356 HydrophobicContact CG2-CE 3.71Å; I352-M356 HydrophobicContact CG2-CG 4.48Å; I352-M356 HydrophobicContact CG2-SD 4.24Å; I352-M356 WeakPolarHBondContact O-CB 3.25Å; I352-M356 VanDerWaalsContact O-CG 3.32Å; I352-M356 WeakPolarHBondContact O-CG 3.08Å; I352-M356 PolarHBondContact O-N 3.49Å; I352-L373 HydrophobicContact CD1-CD2 4.13Å
353	E	86	Confident	80.6	Confident	59 Å²	59	61.1 Å²	61.1	28%	0.276	32%	0.316	S	S	.	.	H	α-helix	trans	-62.3	-40.2	178.8	-173.1	-177.4	169.2	0	0	111.8	R349 Y350 M356 R357	R349-E353 WeakPolarHBondContact O-CB 3.48Å; R349-E353 PolarHBondContact O-N 3.36Å; Y350-E353 PolarHBondContact O-N 3.16Å; E353-M356 PolarHBondContact O-N 2.85Å; E353-R357 WeakPolarHBondContact O-CG 3.35Å; E353-R357 PolarHBondContact O-N 2.93Å; E353-R357 IonicContact OE1-CZ 3.47Å; E353-R357 IonicContact OE1-NE 3.92Å; E353-R357 IonicContact OE1-NH1 2.72Å; E353-R357 PolarHBondContact OE1-NH1 3.44Å; E353-R357 IonicContact OE1-NH2 2.58Å; E353-R357 PolarHBondContact OE1-NH2 2.89Å
354	L	86.7	Confident	82.1	Confident	60 Å²	60	63.3 Å²	63.3	31%	0.314	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-47.2	176.1	-175.4	64.7	0	0	0	111.3	Y350 E351 I352 M356 R357 N358	Y350-L354 HydrophobicContact CE1-CD2 4.32Å; Y350-L354 VanDerWaalsContact O-CB 3.29Å; Y350-L354 WeakPolarHBondContact O-CB 3.47Å; Y350-L354 PolarHBondContact O-N 3.3Å; E351-L354 PolarHBondContact O-N 2.87Å; I352-L354 VanDerWaalsContact C-N 3.32Å; I352-L354 PolarHBondContact O-N 3.46Å; L354-M356 VanDerWaalsContact C-N 3.33Å; L354-M356 PolarHBondContact O-N 2.94Å; L354-R357 PolarHBondContact O-N 2.69Å; L354-N358 WeakPolarHBondContact O-CB 3.27Å; L354-N358 PolarHBondContact O-N 3.09Å; L354-N358 PolarHBondContact O-OD1 3.26Å
355	R	87.2	Confident	83.1	Confident	66 Å²	66	61.5 Å²	61.5	25%	0.249	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-40.7	174.9	-74.5	-168.2	175.9	85.2	23.4	111.9	F312 E351 I352 R357 N358 S359 I371	F312-R355 VanDerWaalsContact CD1-NH1 3.32Å; F312-R355 VanDerWaalsContact CG-NH1 3.25Å; E351-R355 WeakPolarHBondContact O-CG 3.29Å; E351-R355 PolarHBondContact O-N 2.89Å; E351-R355 IonicContact OE1-CZ 3.19Å; E351-R355 VanDerWaalsContact OE1-CZ 3.32Å; E351-R355 IonicContact OE1-NH1 3.51Å; E351-R355 PolarHBondContact OE1-NH1 2.83Å; E351-R355 IonicContact OE1-NH2 2.92Å; E351-R355 PolarHBondContact OE1-NH2 3.42Å; I352-R355 PolarHBondContact O-N 3.31Å; R355-R357 PolarHBondContact O-N 3.24Å; R355-N358 PolarHBondContact O-N 3.33Å; R355-S359 WeakPolarHBondContact O-CB 3.31Å; R355-S359 PolarHBondContact O-N 3.34Å; R355-S359 PolarHBondContact O-OG 2.96Å; R355-I371 HydrophobicContact CB-CD1 3.96Å
356	M	87.5	Confident	83.9	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.02	32%	0.317	C	S	.	.	H	α-helix	trans	-59.6	-46.9	173.8	-75.5	-179.5	177.9	0	0	111.6	T294 V298 I352 E353 L354 S359 V360 I371	T294-M356 HydrophobicContact CG2-CE 4.35Å; V298-M356 HydrophobicContact CG2-CE 3.19Å; I352-M356 HydrophobicContact CG2-CE 3.71Å; I352-M356 HydrophobicContact CG2-CG 4.48Å; I352-M356 HydrophobicContact CG2-SD 4.24Å; I352-M356 WeakPolarHBondContact O-CB 3.25Å; I352-M356 VanDerWaalsContact O-CG 3.32Å; I352-M356 WeakPolarHBondContact O-CG 3.08Å; I352-M356 PolarHBondContact O-N 3.49Å; E353-M356 PolarHBondContact O-N 2.85Å; L354-M356 VanDerWaalsContact C-N 3.33Å; L354-M356 PolarHBondContact O-N 2.94Å; M356-S359 PolarHBondContact O-N 3.32Å; M356-S359 PolarHBondContact O-OG 2.98Å; M356-V360 WeakPolarHBondContact O-CG2 3.33Å; M356-I371 HydrophobicContact CB-CD1 4.18Å; M356-I371 HydrophobicContact CG-CD1 3.44Å; M356-I371 VanDerWaalsContact CG-CD1 3.44Å
357	R	85.7	Confident	84.6	Confident	134 Å²	134	60.2 Å²	60.2	51%	0.506	31%	0.307	S	S	.	.	H	α-helix	trans	-64	-43.2	177.9	-75.3	177.4	176.2	163.3	2.4	112.4	E353 L354 R355 S359 V360	E353-R357 WeakPolarHBondContact O-CG 3.35Å; E353-R357 PolarHBondContact O-N 2.93Å; E353-R357 IonicContact OE1-CZ 3.47Å; E353-R357 IonicContact OE1-NE 3.92Å; E353-R357 IonicContact OE1-NH1 2.72Å; E353-R357 PolarHBondContact OE1-NH1 3.44Å; E353-R357 IonicContact OE1-NH2 2.58Å; E353-R357 PolarHBondContact OE1-NH2 2.89Å; L354-R357 PolarHBondContact O-N 2.69Å; R355-R357 PolarHBondContact O-N 3.24Å; R357-S359 VanDerWaalsContact C-N 3.32Å; R357-S359 PolarHBondContact O-N 3.46Å; R357-V360 PolarHBondContact O-N 3.36Å
358	N	86.8	Confident	85	Confident	120 Å²	120	63.6 Å²	63.6	64%	0.642	32%	0.321	S	S	*	.	H	α-helix	trans	-68	-31.4	-179.8	-67.2	-7.6	0	0	0	112.4	L354 R355 V360	L354-N358 WeakPolarHBondContact O-CB 3.27Å; L354-N358 PolarHBondContact O-N 3.09Å; L354-N358 PolarHBondContact O-OD1 3.26Å; R355-N358 PolarHBondContact O-N 3.33Å; N358-V360 PolarHBondContact O-N 3.35Å
359	S	84.7	Confident	85.1	Confident	10 Å²	10	69.3 Å²	69.3	7%	0.07	35%	0.347	C	S	.	.	H	α-helix	trans	-69.9	-16.8	177	73.7	0	0	0	0	113.7	R355 M356 R357 S367 E369	R355-S359 WeakPolarHBondContact O-CB 3.31Å; R355-S359 PolarHBondContact O-N 3.34Å; R355-S359 PolarHBondContact O-OG 2.96Å; M356-S359 PolarHBondContact O-N 3.32Å; M356-S359 PolarHBondContact O-OG 2.98Å; R357-S359 VanDerWaalsContact C-N 3.32Å; R357-S359 PolarHBondContact O-N 3.46Å; S359-S367 WeakPolarHBondContact O-CB 3.25Å; S359-S367 PolarHBondContact O-OG 3.41Å; S359-E369 VanDerWaalsContact CB-OE2 3.3Å; S359-E369 WeakPolarHBondContact CB-OE2 3.5Å
360	V	84.7	Confident	85.3	Confident	24 Å²	24	69.2 Å²	69.2	15%	0.145	35%	0.353	C	S	.	.	S	Bend	trans	-87.6	118.6	-179.1	176.8	0	0	0	0	109.4	R295 M356 R357 N358 K364	R295-V360 HydrophobicContact CB-CG2 4.29Å; M356-V360 WeakPolarHBondContact O-CG2 3.33Å; R357-V360 PolarHBondContact O-N 3.36Å; N358-V360 PolarHBondContact O-N 3.35Å; V360-K364 HydrophobicContact CG1-CB 4.48Å; V360-K364 WeakPolarHBondContact CG1-O 3.47Å
361	T	81	Confident	85.5	Confident	89 Å²	89	63.3 Å²	63.3	55%	0.546	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-70	148	176.4	43.6	0	0	0	0	112.1	G363 K364	T361-G363 PolarHBondContact O-N 3.2Å; T361-K364 PolarHBondContact O-N 3.4Å
362	D	75.8	Confident	85.7	Confident	174 Å²	174	62.3 Å²	62.3	93%	0.93	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	121.5	177.8	-70.7	-32.3	0	0	0	111.3
363	G	79.6	Confident	85.9	Confident	74 Å²	74	62.4 Å²	62.4	76%	0.763	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-5.8	179.5	0	0	0	0	0	115.9	T361	T361-G363 PolarHBondContact O-N 3.2Å
364	K	84.3	Confident	86	Confident	115 Å²	115	61.2 Å²	61.2	50%	0.5	33%	0.331	S	S	.	.			trans	-103.1	159	167.3	-66.6	-169.5	-179.2	-177.8	0	110.7	V360 T361	V360-K364 HydrophobicContact CG1-CB 4.48Å; V360-K364 WeakPolarHBondContact CG1-O 3.47Å; T361-K364 PolarHBondContact O-N 3.4Å
365	T	86.8	Confident	86.1	Confident	15 Å²	15	58.3 Å²	58.3	9%	0.092	32%	0.316	C	S	.	.	S	Bend	trans	-105.9	-22.8	176.8	-46.4	0	0	0	0	112.1	M292 M399 A400 T403	M292-T365 HydrophobicContact CE-CG2 3.62Å; T365-M399 HydrophobicContact CG2-CB 4.25Å; T365-M399 HydrophobicContact CG2-CE 4.37Å; T365-M399 HydrophobicContact CG2-CG 3.96Å; T365-M399 WeakPolarHBondContact OG1-CA 3.46Å; T365-A400 PolarHBondContact OG1-N 2.99Å; T365-T403 PolarHBondContact OG1-OG1 2.93Å
366	V	88.5	Confident	86.1	Confident	6 Å²	6	57.4 Å²	57.4	4%	0.036	32%	0.315	C	S	.	.			trans	-129.1	142.8	-175.1	177.5	0	0	0	0	108.9	M292 R295 P389 T403 I407 I410	M292-V366 HydrophobicContact CE-CG2 3.52Å; M292-V366 HydrophobicContact SD-CG2 4.07Å; R295-V366 CarbonylContact O-C 3.45Å; R295-V366 VanDerWaalsContact O-CA 3.23Å; R295-V366 WeakPolarHBondContact O-CA 3.47Å; R295-V366 WeakPolarHBondContact O-CG1 3.12Å; V366-P389 HydrophobicContact CG1-CG 3.97Å; V366-T403 HydrophobicContact CB-CG2 4.45Å; V366-T403 HydrophobicContact CG2-CG2 3.55Å; V366-I407 HydrophobicContact CB-CG1 4.5Å; V366-I407 HydrophobicContact CG1-CG1 4.24Å; V366-I407 HydrophobicContact CG2-CD1 4.12Å; V366-I407 HydrophobicContact CG2-CG1 3.86Å; V366-I410 HydrophobicContact CG1-CD1 3.3Å
367	S	88.9	Confident	86	Confident	18 Å²	18	57.2 Å²	57.2	13%	0.126	31%	0.314	C	S	.	.			trans	-108.9	150.3	175.9	-168.3	0	0	0	0	111.7	R295 P297 S359 E369 I410	R295-S367 PolarHBondContact O-N 2.85Å; P297-S367 VanDerWaalsContact CD-O 3.25Å; P297-S367 WeakPolarHBondContact CD-O 3.49Å; S359-S367 WeakPolarHBondContact O-CB 3.25Å; S359-S367 PolarHBondContact O-OG 3.41Å; S367-E369 WeakPolarHBondContact OG-CB 3.39Å; S367-E369 PolarHBondContact OG-N 3.43Å; S367-I410 WeakPolarHBondContact O-CD1 3.38Å
368	K	86.8	Confident	86	Confident	123 Å²	123	54 Å²	54	54%	0.535	31%	0.31	S	S	.	.			trans	-88.3	-10.5	170.7	-59.8	-166.7	175	-172.7	0	112.3	I410	K368-I410 HydrophobicContact CG-CD1 4.13Å; K368-I410 HydrophobicContact CG-CG1 3.83Å
369	E	87.5	Confident	85.8	Confident	120 Å²	120	52.5 Å²	52.5	56%	0.561	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-68	132.5	179.7	-171.7	178.1	-178.8	0	0	110.6	S359 S367	S359-E369 VanDerWaalsContact CB-OE2 3.3Å; S359-E369 WeakPolarHBondContact CB-OE2 3.5Å; S367-E369 WeakPolarHBondContact OG-CB 3.39Å; S367-E369 PolarHBondContact OG-N 3.43Å
370	V	87.5	Confident	85.9	Confident	58 Å²	58	52.2 Å²	52.2	35%	0.352	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-95.8	122.7	-175.9	-175.5	0	0	0	0	109.8	P297 K299	P297-V370 HydrophobicContact CB-CG1 4.4Å; P297-V370 HydrophobicContact CB-CG2 4.1Å; P297-V370 WeakPolarHBondContact O-CA 3.48Å; K299-V370 HydrophobicContact CB-CG1 3.63Å
371	I	88.8	Confident	86	Confident	14 Å²	14	52 Å²	52	7%	0.072	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	119.5	174	-60.2	170.5	0	0	0	108.6	A296 P297 V298 K299 F312 R355 M356	A296-I371 HydrophobicContact CB-CD1 4.46Å; P297-I371 PolarHBondContact O-N 3.06Å; V298-I371 CarbonylContact C-O 3.57Å; V298-I371 WeakPolarHBondContact CA-O 3.3Å; K299-I371 PolarHBondContact N-O 3.47Å; F312-I371 HydrophobicContact CE1-CG2 4.33Å; R355-I371 HydrophobicContact CB-CD1 3.96Å; M356-I371 HydrophobicContact CB-CD1 4.18Å; M356-I371 HydrophobicContact CG-CD1 3.44Å; M356-I371 VanDerWaalsContact CG-CD1 3.44Å
372	A	89.1	Confident	86.4	Confident	24 Å²	24	51.7 Å²	51.7	20%	0.198	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.2	-179	0	0	0	0	0	112.1	K299 K313	K299-A372 WeakPolarHBondContact O-CA 3.22Å; K313-A372 HydrophobicContact CB-CB 4.1Å; K313-A372 HydrophobicContact CD-CB 4.35Å; K313-A372 PolarHBondContact N-O 3.48Å
373	L	89.5	Confident	87	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.9	177.7	-172.9	72.9	0	0	0	109.6	I284 K299 V300 T301 A310 F312 L348 I352 V375	I284-L373 HydrophobicContact CD1-CD2 3.59Å; I284-L373 HydrophobicContact CG1-CD2 4.11Å; K299-L373 PolarHBondContact O-N 2.79Å; V300-L373 CarbonylContact C-O 3.47Å; V300-L373 VanDerWaalsContact CA-O 3.31Å; V300-L373 WeakPolarHBondContact CA-O 3.47Å; T301-L373 PolarHBondContact N-O 3.01Å; A310-L373 HydrophobicContact CB-CD1 4.29Å; F312-L373 HydrophobicContact CD1-CD1 3.91Å; F312-L373 HydrophobicContact CD2-CD1 4.41Å; F312-L373 HydrophobicContact CE1-CD1 3.88Å; F312-L373 HydrophobicContact CE2-CD1 4.37Å; F312-L373 HydrophobicContact CG-CD1 4.21Å; F312-L373 HydrophobicContact CZ-CD1 4.13Å; L348-L373 HydrophobicContact CD1-CD1 4.18Å; I352-L373 HydrophobicContact CD1-CD2 4.13Å; L373-V375 HydrophobicContact CD2-CG2 3.9Å; L373-V375 HydrophobicContact CG-CG2 4.12Å
374	A	88.7	Confident	87.5	Confident	33 Å²	33	40 Å²	40	27%	0.273	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.5	170.3	0	0	0	0	0	109.1	T301 A310 K311	T301-A374 WeakPolarHBondContact O-CA 3.49Å; A310-A374 CarbonylContact C-O 3.44Å; A310-A374 VanDerWaalsContact CA-O 3.29Å; A310-A374 WeakPolarHBondContact CA-O 3.39Å; K311-A374 PolarHBondContact N-O 3.27Å; K311-A374 PolarHBondContact O-N 3.27Å
375	V	89	Confident	87.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.5	175.8	179.3	0	0	0	0	108.2	I284 V300 T301 L302 S303 I309 A310 L321 L373 L380	I284-V375 HydrophobicContact CD1-CG2 4.15Å; V300-V375 HydrophobicContact CG1-CG2 4.02Å; T301-V375 PolarHBondContact O-N 2.72Å; L302-V375 WeakPolarHBondContact CA-O 3.37Å; L302-V375 HydrophobicContact CD2-CB 3.89Å; L302-V375 HydrophobicContact CD2-CG1 4.3Å; S303-V375 PolarHBondContact N-O 2.71Å; I309-V375 CarbonylContact O-C 3.5Å; I309-V375 WeakPolarHBondContact O-CA 3.34Å; A310-V375 HydrophobicContact CB-CG2 4.15Å; L321-V375 HydrophobicContact CD1-CG1 3.76Å; L373-V375 HydrophobicContact CD2-CG2 3.9Å; L373-V375 HydrophobicContact CG-CG2 4.12Å; V375-L380 HydrophobicContact CG1-CD1 4.03Å
376	Q	87.2	Confident	88.1	Confident	47 Å²	47	34 Å²	34	22%	0.22	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.7	176.2	-38.3	-159.6	-27.5	0	0	108.2	E237 S303 Y307 H308 I309	E237-Q376 PolarHBondContact OE1-NE2 2.93Å; S303-Q376 WeakPolarHBondContact O-CA 3.31Å; S303-Q376 WeakPolarHBondContact OG-CB 3.44Å; S303-Q376 VanDerWaalsContact OG-CG 3.22Å; S303-Q376 WeakPolarHBondContact OG-CG 3.15Å; Y307-Q376 CarbonylContact O-C 3.57Å; Y307-Q376 VanDerWaalsContact O-O 3.08Å; H308-Q376 CarbonylContact C-O 3.54Å; H308-Q376 WeakPolarHBondContact CA-O 3.48Å; H308-Q376 PolarHBondContact CD2-O 2.89Å; I309-Q376 HydrophobicContact CD1-CG 4.38Å; I309-Q376 HydrophobicContact CG1-CB 3.87Å; I309-Q376 HydrophobicContact CG1-CG 4.04Å; I309-Q376 PolarHBondContact N-O 2.82Å; I309-Q376 PolarHBondContact O-N 3.36Å
377	G	85.3	Confident	88.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	161.7	177.8	0	0	0	0	0	113.8	S303 E304 G305 Y307 S379	S303-G377 PolarHBondContact O-N 3.44Å; E304-G377 WeakPolarHBondContact CA-O 3.27Å; G305-G377 PolarHBondContact N-O 2.93Å; G305-G377 CarbonylContact O-C 3.44Å; Y307-G377 WeakPolarHBondContact O-CA 3.35Å; G377-S379 PolarHBondContact O-N 3.33Å
378	P	86.1	Confident	88.4	Confident	65 Å²	65	33 Å²	33	42%	0.422	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	135.4	178.2	27.9	-33.2	0	0	0	109.3	G305 L380	G305-P378 VanDerWaalsContact O-CA 3.28Å; G305-P378 WeakPolarHBondContact O-CA 3.44Å; P378-L380 PolarHBondContact O-N 3.45Å; P378-L380 VanDerWaalsContact O-N 3.09Å
379	S	83.3	Confident	88.6	Confident	90 Å²	90	27.2 Å²	27.2	63%	0.629	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	16.5	178.3	70.9	0	0	0	0	116.2	G377	G377-S379 PolarHBondContact O-N 3.33Å
380	L	86.7	Confident	88.7	Confident	4 Å²	4	21.9 Å²	21.9	2%	0.021	13%	0.132	C	C	.	.			trans	-74.5	131.7	173.1	-66.8	-173.6	0	0	0	110.8	Q281 V375 P378	Q281-L380 HydrophobicContact CB-CD2 3.99Å; Q281-L380 HydrophobicContact CG-CD2 3.6Å; V375-L380 HydrophobicContact CG1-CD1 4.03Å; P378-L380 PolarHBondContact O-N 3.45Å; P378-L380 VanDerWaalsContact O-N 3.09Å
381	P	86.6	Confident	88.8	Confident	19 Å²	19	19.4 Å²	19.4	12%	0.123	12%	0.118	C	C	.	.			trans	-67.1	135.1	174.5	28.1	-33.8	0	0	0	110.3	V279 L302 M383	V279-P381 HydrophobicContact CG1-CG 4.29Å; L302-P381 VanDerWaalsContact CB-O 3.29Å; L302-P381 WeakPolarHBondContact CB-O 3.37Å; P381-M383 HydrophobicContact CB-CE 3.61Å; P381-M383 HydrophobicContact CG-CE 3.56Å; P381-M383 PolarHBondContact O-N 2.56Å
382	R	88.3	Confident	88.8	Confident	82 Å²	82	19.1 Å²	19.1	31%	0.309	12%	0.116	S	C	.	.			trans	-79.7	105.2	-176.1	-58	175.6	-170.4	175.5	-0.7	110	I236 L302 E304 W540	I236-R382 HydrophobicContact CB-CB 4.22Å; I236-R382 HydrophobicContact CG1-CB 4.32Å; I236-R382 HydrophobicContact CG2-CB 4.41Å; I236-R382 HydrophobicContact CG2-CG 4.36Å; L302-R382 WeakPolarHBondContact O-CA 3.07Å; E304-R382 HydrophobicContact CB-CG 4.37Å; E304-R382 IonicContact OE2-CZ 3.35Å; E304-R382 IonicContact OE2-NE 2.8Å; E304-R382 PolarHBondContact OE2-NE 3.44Å; E304-R382 IonicContact OE2-NH2 3.68Å; E304-R382 PolarHBondContact OE2-NH2 2.96Å; R382-W540 HydrophobicContact CB-CZ2 3.9Å; R382-W540 PolarHBondContact O-NE1 2.99Å
383	M	89.1	Confident	88.6	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	162.1	179.1	65.7	178.7	83.1	0	0	111.6	V279 L302 P381 L385 S532 V535 F539	V279-M383 HydrophobicContact CG1-CE 4.29Å; V279-M383 HydrophobicContact CG1-SD 4.3Å; L302-M383 HydrophobicContact CB-CG 4.46Å; L302-M383 HydrophobicContact CD1-CG 4.07Å; L302-M383 PolarHBondContact N-O 3.27Å; L302-M383 PolarHBondContact O-N 3.07Å; P381-M383 HydrophobicContact CB-CE 3.61Å; P381-M383 HydrophobicContact CG-CE 3.56Å; P381-M383 PolarHBondContact O-N 2.56Å; M383-L385 HydrophobicContact CG-CD1 3.97Å; M383-L385 HydrophobicContact CG-CG 3.99Å; M383-L385 HydrophobicContact SD-CD1 3.81Å; M383-L385 HydrophobicContact SD-CD2 3.85Å; M383-L385 HydrophobicContact SD-CG 3.82Å; M383-S532 WeakPolarHBondContact CE-O 3.45Å; M383-V535 HydrophobicContact CE-CG1 4.37Å; M383-V535 HydrophobicContact SD-CG1 4.01Å; M383-F539 HydrophobicContact CB-CD1 4.15Å; M383-F539 HydrophobicContact CB-CE1 4.43Å; M383-F539 HydrophobicContact CB-CG 4.42Å
384	V	90	Very high	88.4	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.9	172.2	-178.2	0	0	0	0	108.7	I236 Y239 L243 V262 K299 T301 F539	I236-V384 HydrophobicContact CD1-CG2 4.08Å; Y239-V384 HydrophobicContact CD1-CG2 4.28Å; Y239-V384 HydrophobicContact CE1-CG2 4.44Å; L243-V384 HydrophobicContact CD1-CG1 4.32Å; L243-V384 HydrophobicContact CD1-CG2 4.06Å; V262-V384 PolarHBondContact N-O 3.34Å; K299-V384 HydrophobicContact CD-CG1 4.37Å; K299-V384 HydrophobicContact CG-CG1 3.93Å; T301-V384 HydrophobicContact CG2-CG2 4.32Å; V384-F539 HydrophobicContact CB-CZ 4.36Å; V384-F539 HydrophobicContact CG2-CZ 4.28Å
385	L	91.9	Very high	88.3	Confident	5 Å²	5	26.9 Å²	26.9	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144	179.1	-67.8	149.4	0	0	0	109.7	V262 V264 L276 V279 K299 V300 L302 M383	V262-L385 HydrophobicContact CB-CD2 3.87Å; V262-L385 HydrophobicContact CB-CG 4.49Å; V262-L385 HydrophobicContact CG1-CD2 3.68Å; V262-L385 CarbonylContact O-C 3.5Å; V262-L385 WeakPolarHBondContact O-CA 3.12Å; V264-L385 HydrophobicContact CG2-CD2 4.05Å; L276-L385 HydrophobicContact CD1-CB 4.4Å; L276-L385 HydrophobicContact CG-CD1 4.45Å; V279-L385 HydrophobicContact CG1-CD1 4.1Å; K299-L385 CarbonylContact C-O 3.57Å; K299-L385 WeakPolarHBondContact CA-O 3.33Å; V300-L385 PolarHBondContact N-O 3.47Å; V300-L385 PolarHBondContact O-N 3.2Å; L302-L385 HydrophobicContact CD1-CD1 3.5Å; L302-L385 VanDerWaalsContact CD1-CD1 3.5Å; L302-L385 HydrophobicContact CG-CD1 4.04Å; M383-L385 HydrophobicContact CG-CD1 3.97Å; M383-L385 HydrophobicContact CG-CG 3.99Å; M383-L385 HydrophobicContact SD-CD1 3.81Å; M383-L385 HydrophobicContact SD-CD2 3.85Å; M383-L385 HydrophobicContact SD-CG 3.82Å
386	I	91.5	Very high	88.2	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111.7	169.7	-60.7	179.8	0	0	0	107.8	R261 V262 V264 P297 V298 K299 L388	R261-I386 HydrophobicContact CB-CD1 4.2Å; R261-I386 HydrophobicContact CG-CD1 4.45Å; V262-I386 PolarHBondContact O-N 3.13Å; V264-I386 PolarHBondContact N-O 3.06Å; P297-I386 HydrophobicContact CB-CG2 4.27Å; V298-I386 CarbonylContact O-C 3.58Å; V298-I386 WeakPolarHBondContact O-CA 3.37Å; K299-I386 HydrophobicContact CB-CG1 4.35Å; I386-L388 HydrophobicContact CG2-CD2 3.6Å; I386-L388 HydrophobicContact CG2-CG 4.24Å
387	D	92.3	Very high	88.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126	168.6	-167.2	29.4	0	0	0	108.8	K272 T273 L276 T294 P297 V298	K272-D387 IonicContact NZ-OD2 3.38Å; T273-D387 PolarHBondContact OG1-OD2 3Å; L276-D387 HydrophobicContact CD1-CB 3.74Å; T294-D387 PolarHBondContact OG1-OD2 3.33Å; P297-D387 CarbonylContact C-O 3.53Å; P297-D387 VanDerWaalsContact CA-O 3.29Å; P297-D387 WeakPolarHBondContact CA-O 3.45Å; V298-D387 HydrophobicContact CB-CB 4.43Å; V298-D387 PolarHBondContact N-O 3.27Å; V298-D387 PolarHBondContact O-N 3.21Å
388	L	92.1	Very high	88	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	26%	0.256	C	S	.	.			trans	-106.8	153.6	177.1	-63	-175.6	0	0	0	111.1	I263 V264 V265 K272 P297 I386 G390 I410 C411 H414	I263-L388 HydrophobicContact CG2-CD1 3.37Å; I263-L388 HydrophobicContact CG2-CG 4.02Å; V264-L388 PolarHBondContact O-N 3.3Å; V265-L388 HydrophobicContact CG1-CD1 3.79Å; K272-L388 WeakPolarHBondContact CE-O 3.49Å; P297-L388 HydrophobicContact CB-CD2 3.87Å; P297-L388 HydrophobicContact CG-CD2 4.03Å; I386-L388 HydrophobicContact CG2-CD2 3.6Å; I386-L388 HydrophobicContact CG2-CG 4.24Å; L388-G390 PolarHBondContact O-N 2.86Å; L388-I410 HydrophobicContact CD2-CG2 4.13Å; L388-C411 HydrophobicContact CD1-CB 4.45Å; L388-H414 HydrophobicContact CD1-CB 3.92Å; L388-H414 HydrophobicContact CD2-CB 4.4Å; L388-H414 VanDerWaalsContact CD2-CD2 3.48Å; L388-H414 WeakPolarHBondContact CD2-CD2 3.35Å
389	P	90.3	Very high	87.9	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.019	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-52.5	135.9	169.5	-24.8	34.4	0	0	0	111.1	T294 V366 I407	T294-P389 WeakPolarHBondContact O-CB 3.36Å; V366-P389 HydrophobicContact CG1-CG 3.97Å; P389-I407 HydrophobicContact CB-CG1 4.13Å; P389-I407 HydrophobicContact CB-CG2 4.2Å
390	G	89.2	Confident	88	Confident	7 Å²	7	38.3 Å²	38.3	7%	0.072	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-66.9	139.9	-178.5	0	0	0	0	0	111.3	G266 L388 I392	G266-G390 WeakPolarHBondContact O-CA 3.34Å; L388-G390 PolarHBondContact O-N 2.86Å; G390-I392 PolarHBondContact O-N 3.38Å
391	V	90.2	Very high	87.9	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.042	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-67.8	128.3	-179.7	-178.4	0	0	0	0	109.6	G266 Q268 L408 N436 V437	G266-V391 PolarHBondContact O-N 2.98Å; Q268-V391 PolarHBondContact N-O 3.43Å; Q268-V391 VanDerWaalsContact N-O 3.08Å; V391-L408 HydrophobicContact CG1-CD2 4.07Å; V391-N436 HydrophobicContact CG1-CB 4.12Å; V391-V437 HydrophobicContact CG2-CB 4.4Å; V391-V437 HydrophobicContact CG2-CG2 4.36Å
392	I	89.3	Confident	87.9	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.036	27%	0.274	C	S	.	.			trans	-108.7	142	179.7	65.6	179.7	0	0	0	111.1	Q268 G390 V395 M399 K404 I407	Q268-I392 HydrophobicContact CB-CG2 4.21Å; G390-I392 PolarHBondContact O-N 3.38Å; I392-V395 HydrophobicContact CD1-CG2 4.35Å; I392-M399 HydrophobicContact CD1-CE 3.47Å; I392-M399 VanDerWaalsContact CD1-CE 3.47Å; I392-M399 HydrophobicContact CD1-SD 4.31Å; I392-K404 HydrophobicContact CD1-CB 4.43Å; I392-K404 HydrophobicContact CG1-CB 4.26Å; I392-K404 HydrophobicContact CG1-CG 4.44Å; I392-I407 HydrophobicContact CD1-CD1 3.87Å; I392-I407 HydrophobicContact CG1-CD1 4.07Å; I392-I407 HydrophobicContact CG2-CD1 4.46Å
393	S	83.6	Confident	87.9	Confident	69 Å²	69	41.8 Å²	41.8	48%	0.483	26%	0.259	S	S	.	.	S	Bend	trans	-85.6	-34.9	172.8	60.2	0	0	0	0	112.3	K404	S393-K404 PolarHBondContact O-NZ 3.27Å
394	T	86.5	Confident	88	Confident	105 Å²	105	45.5 Å²	45.5	64%	0.644	28%	0.275	S	S	*	.	S	Bend	trans	-129.4	140.7	-170.6	-51.5	0	0	0	0	110.3
395	V	86.8	Confident	88	Confident	50 Å²	50	50.2 Å²	50.2	30%	0.303	30%	0.3	S	S	.	.			trans	-95.6	128.4	178	-178.7	0	0	0	0	108.6	I392 M399 K404	I392-V395 HydrophobicContact CD1-CG2 4.35Å; V395-M399 HydrophobicContact CG1-CB 3.56Å; V395-K404 HydrophobicContact CG2-CB 3.92Å
396	T	86.6	Confident	88	Confident	84 Å²	84	51.8 Å²	51.8	52%	0.515	31%	0.309	S	S	.	.			trans	-79.9	164.6	176.5	64.4	0	0	0	0	111.2	E398 M399	T396-E398 PolarHBondContact O-N 3.19Å; T396-E398 VanDerWaalsContact O-N 3.13Å; T396-M399 HydrophobicContact CG2-SD 4.46Å; T396-M399 PolarHBondContact O-N 2.84Å; T396-M399 VanDerWaalsContact O-N 3.1Å; T396-M399 VanDerWaalsContact OG1-CG 3.29Å; T396-M399 WeakPolarHBondContact OG1-CG 3.32Å; T396-M399 PolarHBondContact OG1-SD 3.5Å; T396-M399 VanDerWaalsContact OG1-SD 3.36Å
397	S	84.3	Confident	88	Confident	128 Å²	128	51.8 Å²	51.8	90%	0.895	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21	-176.8	49	0	0	0	0	114.8
398	E	82.8	Confident	88	Confident	176 Å²	176	53.4 Å²	53.4	82%	0.822	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-9.6	180	-61.4	-176.7	174	0	0	113.2	T396	T396-E398 PolarHBondContact O-N 3.19Å; T396-E398 VanDerWaalsContact O-N 3.13Å
399	M	84.1	Confident	87.9	Confident	29 Å²	29	56.3 Å²	56.3	14%	0.143	33%	0.333	C	S	.	.	S	Bend	trans	-96.2	152.1	-176.1	-60.8	175.1	75.5	0	0	110.9	M292 T365 I392 V395 T396 T403	M292-M399 HydrophobicContact CE-CE 4.38Å; M292-M399 HydrophobicContact SD-CE 3.77Å; T365-M399 HydrophobicContact CG2-CB 4.25Å; T365-M399 HydrophobicContact CG2-CE 4.37Å; T365-M399 HydrophobicContact CG2-CG 3.96Å; T365-M399 WeakPolarHBondContact OG1-CA 3.46Å; I392-M399 HydrophobicContact CD1-CE 3.47Å; I392-M399 VanDerWaalsContact CD1-CE 3.47Å; I392-M399 HydrophobicContact CD1-SD 4.31Å; V395-M399 HydrophobicContact CG1-CB 3.56Å; T396-M399 HydrophobicContact CG2-SD 4.46Å; T396-M399 PolarHBondContact O-N 2.84Å; T396-M399 VanDerWaalsContact O-N 3.1Å; T396-M399 VanDerWaalsContact OG1-CG 3.29Å; T396-M399 WeakPolarHBondContact OG1-CG 3.32Å; T396-M399 PolarHBondContact OG1-SD 3.5Å; T396-M399 VanDerWaalsContact OG1-SD 3.36Å; M399-T403 HydrophobicContact CE-CG2 3.34Å
400	A	85.6	Confident	88	Confident	25 Å²	25	56.4 Å²	56.4	21%	0.207	33%	0.333	C	S	.	.			trans	-64.1	143.9	172.7	0	0	0	0	0	110.3	T365 G402 T403	T365-A400 PolarHBondContact OG1-N 2.99Å; A400-G402 PolarHBondContact O-N 3.25Å; A400-T403 PolarHBondContact N-OG1 2.96Å; A400-T403 WeakPolarHBondContact O-CB 3.41Å; A400-T403 PolarHBondContact O-N 2.9Å; A400-T403 PolarHBondContact O-OG1 3.16Å
401	V	85.6	Confident	88.1	Confident	147 Å²	147	56.1 Å²	56.1	89%	0.891	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.9	-176.3	-176.3	0	0	0	0	112.3
402	G	86.5	Confident	88.1	Confident	31 Å²	31	60.9 Å²	60.9	32%	0.32	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.1	179.1	0	0	0	0	0	116.2	A400 K404 N405 D406	A400-G402 PolarHBondContact O-N 3.25Å; G402-K404 VanDerWaalsContact C-N 3.27Å; G402-K404 PolarHBondContact O-N 2.85Å; G402-K404 VanDerWaalsContact O-N 3.11Å; G402-N405 PolarHBondContact O-N 3.26Å; G402-D406 PolarHBondContact O-N 2.93Å
403	T	88.8	Confident	88	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-58.7	-35.9	-166.3	-52.9	0	0	0	0	113.7	T365 V366 M399 A400 N405 D406 I407	T365-T403 PolarHBondContact OG1-OG1 2.93Å; V366-T403 HydrophobicContact CB-CG2 4.45Å; V366-T403 HydrophobicContact CG2-CG2 3.55Å; M399-T403 HydrophobicContact CE-CG2 3.34Å; A400-T403 PolarHBondContact N-OG1 2.96Å; A400-T403 WeakPolarHBondContact O-CB 3.41Å; A400-T403 PolarHBondContact O-N 2.9Å; A400-T403 PolarHBondContact O-OG1 3.16Å; T403-N405 VanDerWaalsContact C-N 3.35Å; T403-N405 PolarHBondContact O-N 3.29Å; T403-D406 PolarHBondContact O-N 3.32Å; T403-I407 HydrophobicContact CG2-CD1 3.89Å; T403-I407 HydrophobicContact CG2-CG1 4.3Å; T403-I407 VanDerWaalsContact O-CG1 3.3Å; T403-I407 WeakPolarHBondContact O-CG1 3.32Å; T403-I407 PolarHBondContact O-N 2.84Å
404	K	89.4	Confident	88.2	Confident	80 Å²	80	62.5 Å²	62.5	35%	0.348	36%	0.355	S	S	.	.	H	α-helix	trans	-59.3	-45	176.4	178.1	178.1	-179.2	173.2	0	112.1	I392 S393 V395 G402 L408	I392-K404 HydrophobicContact CD1-CB 4.43Å; I392-K404 HydrophobicContact CG1-CB 4.26Å; I392-K404 HydrophobicContact CG1-CG 4.44Å; S393-K404 PolarHBondContact O-NZ 3.27Å; V395-K404 HydrophobicContact CG2-CB 3.92Å; G402-K404 VanDerWaalsContact C-N 3.27Å; G402-K404 PolarHBondContact O-N 2.85Å; G402-K404 VanDerWaalsContact O-N 3.11Å; K404-L408 HydrophobicContact CG-CD1 4.44Å; K404-L408 WeakPolarHBondContact O-CG 3.27Å; K404-L408 PolarHBondContact O-N 3.12Å; K404-L408 VanDerWaalsContact O-N 3.15Å
405	N	91.6	Very high	88.3	Confident	99 Å²	99	57.5 Å²	57.5	53%	0.529	32%	0.324	S	S	.	.	H	α-helix	trans	-71.8	-39.4	179.6	-66.5	-23.7	0	0	0	110.6	G402 T403 I407 L408 D409	G402-N405 PolarHBondContact O-N 3.26Å; T403-N405 VanDerWaalsContact C-N 3.35Å; T403-N405 PolarHBondContact O-N 3.29Å; N405-I407 VanDerWaalsContact C-N 3.32Å; N405-I407 PolarHBondContact O-N 3.42Å; N405-L408 PolarHBondContact O-N 3.44Å; N405-D409 WeakPolarHBondContact O-CB 3.3Å; N405-D409 VanDerWaalsContact O-CG 3.26Å; N405-D409 PolarHBondContact O-N 2.82Å
406	D	91.2	Very high	88.3	Confident	39 Å²	39	60.8 Å²	60.8	21%	0.209	34%	0.336	C	S	.	.	H	α-helix	trans	-59.6	-42.1	176.4	-67.9	-37	0	0	0	111.9	G402 T403 D409 I410	G402-D406 PolarHBondContact O-N 2.93Å; T403-D406 PolarHBondContact O-N 3.32Å; D406-D409 PolarHBondContact O-N 3.49Å; D406-I410 WeakPolarHBondContact O-CD1 3.49Å; D406-I410 VanDerWaalsContact O-CG1 3.24Å; D406-I410 WeakPolarHBondContact O-CG1 3.14Å; D406-I410 PolarHBondContact O-N 3.45Å
407	I	91.7	Very high	88.2	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-64.2	-44.6	175.3	-68.4	167.6	0	0	0	111.1	M292 V366 P389 I392 T403 N405 D409 I410 C411	M292-I407 HydrophobicContact SD-CD1 4.27Å; V366-I407 HydrophobicContact CB-CG1 4.5Å; V366-I407 HydrophobicContact CG1-CG1 4.24Å; V366-I407 HydrophobicContact CG2-CD1 4.12Å; V366-I407 HydrophobicContact CG2-CG1 3.86Å; P389-I407 HydrophobicContact CB-CG1 4.13Å; P389-I407 HydrophobicContact CB-CG2 4.2Å; I392-I407 HydrophobicContact CD1-CD1 3.87Å; I392-I407 HydrophobicContact CG1-CD1 4.07Å; I392-I407 HydrophobicContact CG2-CD1 4.46Å; T403-I407 HydrophobicContact CG2-CD1 3.89Å; T403-I407 HydrophobicContact CG2-CG1 4.3Å; T403-I407 VanDerWaalsContact O-CG1 3.3Å; T403-I407 WeakPolarHBondContact O-CG1 3.32Å; T403-I407 PolarHBondContact O-N 2.84Å; N405-I407 VanDerWaalsContact C-N 3.32Å; N405-I407 PolarHBondContact O-N 3.42Å; I407-D409 VanDerWaalsContact C-N 3.32Å; I407-D409 PolarHBondContact O-N 3.13Å; I407-I410 PolarHBondContact O-N 2.87Å; I407-C411 PolarHBondContact O-N 2.92Å; I407-C411 PolarHBondContact O-SG 2.73Å
408	L	91.6	Very high	88.1	Confident	34 Å²	34	55.2 Å²	55.2	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-39.6	177.5	-73.3	173	0	0	0	111.7	V391 K404 N405 C411 R412 L440	V391-L408 HydrophobicContact CG1-CD2 4.07Å; K404-L408 HydrophobicContact CG-CD1 4.44Å; K404-L408 WeakPolarHBondContact O-CG 3.27Å; K404-L408 PolarHBondContact O-N 3.12Å; K404-L408 VanDerWaalsContact O-N 3.15Å; N405-L408 PolarHBondContact O-N 3.44Å; L408-C411 PolarHBondContact O-N 3.13Å; L408-R412 WeakPolarHBondContact O-CB 3.22Å; L408-R412 VanDerWaalsContact O-CG 3.27Å; L408-R412 WeakPolarHBondContact O-CG 3.28Å; L408-R412 PolarHBondContact O-N 3.21Å; L408-L440 HydrophobicContact CD2-CD2 4.1Å
409	D	91.1	Very high	88.2	Confident	62 Å²	62	48.8 Å²	48.8	33%	0.332	27%	0.269	S	S	.	.	H	α-helix	trans	-66	-42.7	176.9	-73	-11.1	0	0	0	111.1	N405 D406 I407 C411 R412 C413	N405-D409 WeakPolarHBondContact O-CB 3.3Å; N405-D409 VanDerWaalsContact O-CG 3.26Å; N405-D409 PolarHBondContact O-N 2.82Å; D406-D409 PolarHBondContact O-N 3.49Å; I407-D409 VanDerWaalsContact C-N 3.32Å; I407-D409 PolarHBondContact O-N 3.13Å; D409-C411 PolarHBondContact O-N 3.35Å; D409-R412 PolarHBondContact O-N 3.43Å; D409-C413 WeakPolarHBondContact O-CB 3.28Å; D409-C413 PolarHBondContact O-N 3.26Å; D409-C413 PolarHBondContact O-SG 2.95Å
410	I	90.9	Very high	88.5	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-48	173.4	-72	162.3	0	0	0	110.4	P297 V366 S367 K368 L388 D406 I407 R412 H414	P297-I410 HydrophobicContact CG-CG2 3.7Å; V366-I410 HydrophobicContact CG1-CD1 3.3Å; S367-I410 WeakPolarHBondContact O-CD1 3.38Å; K368-I410 HydrophobicContact CG-CD1 4.13Å; K368-I410 HydrophobicContact CG-CG1 3.83Å; L388-I410 HydrophobicContact CD2-CG2 4.13Å; D406-I410 WeakPolarHBondContact O-CD1 3.49Å; D406-I410 VanDerWaalsContact O-CG1 3.24Å; D406-I410 WeakPolarHBondContact O-CG1 3.14Å; D406-I410 PolarHBondContact O-N 3.45Å; I407-I410 PolarHBondContact O-N 2.87Å; I410-R412 PolarHBondContact O-N 3.24Å; I410-H414 PolarHBondContact O-CD2 3.24Å; I410-H414 VanDerWaalsContact O-CD2 3.23Å; I410-H414 PolarHBondContact O-N 3.13Å
411	C	91.5	Very high	88.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-45.7	178.1	-65.6	0	0	0	0	111.8	L388 I407 L408 D409 H414 M415 L440	L388-C411 HydrophobicContact CD1-CB 4.45Å; I407-C411 PolarHBondContact O-N 2.92Å; I407-C411 PolarHBondContact O-SG 2.73Å; L408-C411 PolarHBondContact O-N 3.13Å; D409-C411 PolarHBondContact O-N 3.35Å; C411-H414 PolarHBondContact O-N 3.27Å; C411-M415 HydrophobicContact CB-SD 4.24Å; C411-M415 VanDerWaalsContact O-CB 3.27Å; C411-M415 WeakPolarHBondContact O-CB 3.46Å; C411-M415 WeakPolarHBondContact O-CG 3.46Å; C411-M415 PolarHBondContact O-N 3.06Å; C411-L440 HydrophobicContact CB-CD2 3.95Å
412	R	90.2	Very high	89.2	Confident	107 Å²	107	39.2 Å²	39.2	40%	0.404	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-51.2	177.8	-77.1	175	-177.9	170.5	-0	112	L408 D409 I410 H414 M415 E416 L440	L408-R412 WeakPolarHBondContact O-CB 3.22Å; L408-R412 VanDerWaalsContact O-CG 3.27Å; L408-R412 WeakPolarHBondContact O-CG 3.28Å; L408-R412 PolarHBondContact O-N 3.21Å; D409-R412 PolarHBondContact O-N 3.43Å; I410-R412 PolarHBondContact O-N 3.24Å; R412-H414 PolarHBondContact O-N 2.89Å; R412-M415 PolarHBondContact O-N 3.03Å; R412-M415 VanDerWaalsContact O-N 3.11Å; R412-E416 VanDerWaalsContact O-CB 3.28Å; R412-E416 WeakPolarHBondContact O-CB 3.34Å; R412-E416 VanDerWaalsContact O-CG 3.22Å; R412-E416 WeakPolarHBondContact O-CG 3.46Å; R412-E416 PolarHBondContact O-N 3.48Å; R412-L440 HydrophobicContact CG-CD1 3.84Å
413	C	87.4	Confident	89.6	Confident	77 Å²	77	38 Å²	38	52%	0.52	20%	0.196	S	C	.	.	H	α-helix	trans	-54.3	-40.5	179.8	-71.2	0	0	0	0	112.1	D409	D409-C413 WeakPolarHBondContact O-CB 3.28Å; D409-C413 PolarHBondContact O-N 3.26Å; D409-C413 PolarHBondContact O-SG 2.95Å
414	H	87.5	Confident	89.8	Confident	33 Å²	33	38 Å²	38	15%	0.153	20%	0.196	C	C	.	.	H	α-helix	trans	-73.4	-45.1	177.4	-82.4	-63	0	0	0	112.3	I263 L388 I410 C411 R412	I263-H414 HydrophobicContact CD1-CB 3.96Å; I263-H414 WeakPolarHBondContact CD1-O 3.45Å; I263-H414 HydrophobicContact CG2-CB 4.17Å; L388-H414 HydrophobicContact CD1-CB 3.92Å; L388-H414 HydrophobicContact CD2-CB 4.4Å; L388-H414 VanDerWaalsContact CD2-CD2 3.48Å; L388-H414 WeakPolarHBondContact CD2-CD2 3.35Å; I410-H414 PolarHBondContact O-CD2 3.24Å; I410-H414 VanDerWaalsContact O-CD2 3.23Å; I410-H414 PolarHBondContact O-N 3.13Å; C411-H414 PolarHBondContact O-N 3.27Å; R412-H414 PolarHBondContact O-N 2.89Å
415	M	88.8	Confident	90	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-77	-19.6	-176.8	-66.4	168.9	75	0	0	114.8	I263 V265 C411 R412 N417 I422 L440 V441 L444 R450	I263-M415 HydrophobicContact CG2-CG 4.39Å; V265-M415 HydrophobicContact CG1-CG 4.27Å; V265-M415 HydrophobicContact CG1-SD 3.85Å; V265-M415 HydrophobicContact CG2-CE 4.41Å; C411-M415 HydrophobicContact CB-SD 4.24Å; C411-M415 VanDerWaalsContact O-CB 3.27Å; C411-M415 WeakPolarHBondContact O-CB 3.46Å; C411-M415 WeakPolarHBondContact O-CG 3.46Å; C411-M415 PolarHBondContact O-N 3.06Å; R412-M415 PolarHBondContact O-N 3.03Å; R412-M415 VanDerWaalsContact O-N 3.11Å; M415-N417 PolarHBondContact O-N 3.47Å; M415-I422 HydrophobicContact CB-CD1 4.34Å; M415-I422 HydrophobicContact CE-CD1 3.78Å; M415-I422 HydrophobicContact CE-CG1 4.32Å; M415-I422 HydrophobicContact CE-CG2 3.94Å; M415-I422 HydrophobicContact CG-CD1 4.45Å; M415-I422 HydrophobicContact CG-CG1 4.4Å; M415-L440 HydrophobicContact CE-CG 4.44Å; M415-L440 HydrophobicContact SD-CD2 4.06Å; M415-L440 HydrophobicContact SD-CG 4.33Å; M415-V441 HydrophobicContact CE-CB 4.22Å; M415-V441 HydrophobicContact CE-CG2 3.54Å; M415-L444 HydrophobicContact CB-CD1 3.5Å; M415-L444 HydrophobicContact CE-CD1 3.81Å; M415-L444 HydrophobicContact CG-CD1 4.38Å; M415-L444 HydrophobicContact SD-CD1 4.01Å; M415-R450 PolarHBondContact O-NH1 3.26Å; M415-R450 PolarHBondContact O-NH2 3.19Å
416	E	87.6	Confident	90	Very high	119 Å²	119	29.8 Å²	29.8	56%	0.556	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-24	177.9	-85.3	174.4	-166.4	0	0	112.8	R412 P418 L444	R412-E416 VanDerWaalsContact O-CB 3.28Å; R412-E416 WeakPolarHBondContact O-CB 3.34Å; R412-E416 VanDerWaalsContact O-CG 3.22Å; R412-E416 WeakPolarHBondContact O-CG 3.46Å; R412-E416 PolarHBondContact O-N 3.48Å; E416-P418 WeakPolarHBondContact O-CD 3.39Å; E416-P418 VanDerWaalsContact O-N 3.14Å; E416-L444 HydrophobicContact CG-CD2 4.18Å
417	N	83.4	Confident	89.9	Confident	13 Å²	13	29.1 Å²	29.1	7%	0.07	15%	0.152	C	C	.	.	S	Bend	trans	-56.2	118.5	173	173	-14	0	0	0	109.6	D257 L259 M415 N419 A420 R450	D257-N417 PolarHBondContact O-ND2 3.39Å; D257-N417 PolarHBondContact O-OD1 3.42Å; L259-N417 PolarHBondContact O-ND2 3.34Å; M415-N417 PolarHBondContact O-N 3.47Å; N417-N419 PolarHBondContact O-N 3.07Å; N417-N419 WeakPolarHBondContact OD1-CA 3.27Å; N417-N419 PolarHBondContact OD1-N 3.21Å; N417-A420 HydrophobicContact CB-CB 3.94Å; N417-A420 WeakPolarHBondContact O-CB 3.25Å; N417-A420 PolarHBondContact O-N 3.32Å; N417-A420 PolarHBondContact OD1-N 2.95Å; N417-R450 PolarHBondContact O-NH1 3.49Å
418	P	83.1	Confident	89.6	Confident	81 Å²	81	29.4 Å²	29.4	53%	0.526	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.7	-174.6	26.5	-35.3	0	0	0	113.1	E416 R450	E416-P418 WeakPolarHBondContact O-CD 3.39Å; E416-P418 VanDerWaalsContact O-N 3.14Å; P418-R450 VanDerWaalsContact O-CD 3.23Å; P418-R450 WeakPolarHBondContact O-CD 3.12Å
419	N	84.7	Confident	89.3	Confident	41 Å²	41	29.5 Å²	29.5	22%	0.219	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	10.4	179.3	-64.4	-27.5	0	0	0	112.2	C258 P260 N417 M542	C258-N419 WeakPolarHBondContact O-CB 3.15Å; C258-N419 PolarHBondContact O-ND2 3.16Å; P260-N419 WeakPolarHBondContact CA-O 3.41Å; P260-N419 WeakPolarHBondContact CB-O 3.34Å; P260-N419 HydrophobicContact CG-CB 4.13Å; N417-N419 PolarHBondContact O-N 3.07Å; N417-N419 WeakPolarHBondContact OD1-CA 3.27Å; N417-N419 PolarHBondContact OD1-N 3.21Å; N419-M542 VanDerWaalsContact C-SD 3.54Å; N419-M542 HydrophobicContact CB-CG 4.47Å; N419-M542 HydrophobicContact CB-SD 4.13Å
420	A	89.5	Confident	89	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.			trans	-78.4	131.8	171.3	0	0	0	0	0	111.5	R261 I263 N417 R450	R261-A420 WeakPolarHBondContact O-CA 3.12Å; I263-A420 HydrophobicContact CD1-CB 3.36Å; I263-A420 HydrophobicContact CG1-CB 4Å; N417-A420 HydrophobicContact CB-CB 3.94Å; N417-A420 WeakPolarHBondContact O-CB 3.25Å; N417-A420 PolarHBondContact O-N 3.32Å; N417-A420 PolarHBondContact OD1-N 2.95Å; A420-R450 WeakPolarHBondContact O-CB 3.24Å; A420-R450 WeakPolarHBondContact O-CD 3.35Å; A420-R450 PolarHBondContact O-NH1 3.07Å
421	I	92.4	Very high	88.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	117.7	169.7	-62.4	171.6	0	0	0	107.8	R261 V262 I263 R450 I452 R538 F539 M542	R261-I421 PolarHBondContact O-N 2.96Å; V262-I421 CarbonylContact C-O 3.11Å; V262-I421 WeakPolarHBondContact CA-O 3.4Å; V262-I421 HydrophobicContact CG2-CB 4.43Å; I263-I421 PolarHBondContact N-O 3.13Å; I421-R450 CarbonylContact C-O 3.55Å; I421-R450 VanDerWaalsContact CA-O 3.3Å; I421-R450 WeakPolarHBondContact CA-O 3.07Å; I421-I452 HydrophobicContact CG2-CD1 4.2Å; I421-R538 HydrophobicContact CD1-CB 4.18Å; I421-R538 HydrophobicContact CD1-CG 3.83Å; I421-F539 VanDerWaalsContact CD1-CA 3.43Å; I421-F539 HydrophobicContact CD1-CB 3.95Å; I421-M542 HydrophobicContact CG1-CE 4.08Å; I421-M542 HydrophobicContact CG1-SD 4.01Å
422	I	94.3	Very high	88.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.3	-179.1	-60	168.6	0	0	0	108.2	V265 M415 V441 D445 R450 T451 I452	V265-I422 HydrophobicContact CG2-CG2 3.63Å; M415-I422 HydrophobicContact CB-CD1 4.34Å; M415-I422 HydrophobicContact CE-CD1 3.78Å; M415-I422 HydrophobicContact CE-CG1 4.32Å; M415-I422 HydrophobicContact CE-CG2 3.94Å; M415-I422 HydrophobicContact CG-CD1 4.45Å; M415-I422 HydrophobicContact CG-CG1 4.4Å; I422-V441 HydrophobicContact CG2-CG1 4.24Å; I422-V441 HydrophobicContact CG2-CG2 4.08Å; I422-D445 HydrophobicContact CD1-CB 4.45Å; I422-R450 PolarHBondContact N-O 2.87Å; I422-T451 HydrophobicContact CB-CG2 4.36Å; I422-T451 HydrophobicContact CG2-CG2 4.32Å; I422-T451 CarbonylContact O-C 3.51Å; I422-T451 WeakPolarHBondContact O-CA 3.45Å; I422-I452 PolarHBondContact O-N 3Å
423	L	94.1	Very high	88	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	98.3	170.8	-167.1	69.4	0	0	0	108.5	V262 I263 V264 V265 I425 I452 V454 V535	V262-L423 HydrophobicContact CG1-CB 4.19Å; I263-L423 PolarHBondContact O-N 3.27Å; V264-L423 HydrophobicContact CG2-CD2 4.18Å; V265-L423 PolarHBondContact N-O 2.86Å; L423-I425 HydrophobicContact CD2-CD1 4.44Å; L423-I425 HydrophobicContact CG-CG1 4.43Å; L423-I452 HydrophobicContact CD1-CB 3.99Å; L423-I452 HydrophobicContact CD1-CG2 3.87Å; L423-V454 HydrophobicContact CD1-CG2 3.48Å; L423-V454 VanDerWaalsContact CD1-CG2 3.48Å; L423-V454 HydrophobicContact CG-CG2 4.03Å; L423-V535 HydrophobicContact CD1-CG2 3.99Å
424	C	93.6	Very high	88	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.3	-177.4	-176.4	0	0	0	0	110.3	V265 Q426 V441 T451 I452 L453 V454 M482	V265-C424 HydrophobicContact CG2-CB 4.49Å; C424-Q426 PolarHBondContact SG-NE2 2.79Å; C424-Q426 VanDerWaalsContact SG-NE2 3.36Å; C424-V441 HydrophobicContact CB-CG2 4.4Å; C424-T451 HydrophobicContact CB-CG2 4.32Å; C424-I452 PolarHBondContact N-O 3.43Å; C424-L453 HydrophobicContact CB-CD1 4.21Å; C424-L453 WeakPolarHBondContact O-CA 3.45Å; C424-V454 PolarHBondContact O-N 2.7Å; C424-M482 HydrophobicContact CB-CE 4.38Å
425	I	93.2	Very high	87.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.6	-175.4	-59	-175.5	0	0	0	109.8	V264 V265 G266 S270 K272 V275 L423 V454 T456	V264-I425 HydrophobicContact CG1-CD1 3.33Å; V264-I425 HydrophobicContact CG1-CG1 4.19Å; V265-I425 PolarHBondContact O-N 2.85Å; G266-I425 WeakPolarHBondContact CA-O 3.42Å; S270-I425 WeakPolarHBondContact CB-O 3.46Å; S270-I425 WeakPolarHBondContact O-CG2 3.11Å; S270-I425 PolarHBondContact OG-O 3Å; S270-I425 VanDerWaalsContact OG-O 3.13Å; K272-I425 HydrophobicContact CB-CD1 3.94Å; V275-I425 HydrophobicContact CB-CD1 3.89Å; V275-I425 HydrophobicContact CG1-CD1 4.18Å; V275-I425 HydrophobicContact CG2-CD1 4.04Å; V275-I425 HydrophobicContact CG2-CG2 4.44Å; L423-I425 HydrophobicContact CD2-CD1 4.44Å; L423-I425 HydrophobicContact CG-CG1 4.43Å; I425-V454 WeakPolarHBondContact CA-O 3.35Å; I425-V454 HydrophobicContact CG1-CB 4.35Å; I425-T456 HydrophobicContact CG2-CG2 3.49Å; I425-T456 VanDerWaalsContact CG2-CG2 3.49Å
426	Q	91.7	Very high	87.6	Confident	7 Å²	7	41.9 Å²	41.9	3%	0.033	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.2	179.5	-66.6	-58.7	-30.5	0	0	111.4	C424 S435 T438 L453 V454 L455 T456 F480	C424-Q426 PolarHBondContact SG-NE2 2.79Å; C424-Q426 VanDerWaalsContact SG-NE2 3.36Å; Q426-S435 VanDerWaalsContact CD-OG 3.27Å; Q426-S435 PolarHBondContact NE2-OG 3.41Å; Q426-S435 PolarHBondContact OE1-OG 3.17Å; Q426-T438 PolarHBondContact NE2-OG1 3.08Å; Q426-L453 HydrophobicContact CG-CD1 3.9Å; Q426-L453 HydrophobicContact CG-CG 4.39Å; Q426-V454 PolarHBondContact N-O 3.34Å; Q426-L455 HydrophobicContact CB-CD1 4.02Å; Q426-T456 PolarHBondContact O-N 2.91Å; Q426-T456 PolarHBondContact O-OG1 3.46Å; Q426-T456 VanDerWaalsContact O-OG1 3.13Å; Q426-F480 HydrophobicContact CG-CZ 4.22Å
427	D	89.4	Confident	87.7	Confident	25 Å²	25	36.2 Å²	36.2	13%	0.134	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.1	173.8	-166.6	-27	0	0	0	110.1	S429 V430 K457	D427-S429 VanDerWaalsContact C-N 3.26Å; D427-S429 VanDerWaalsContact CG-OG 3.3Å; D427-S429 PolarHBondContact O-N 2.99Å; D427-S429 WeakPolarHBondContact OD1-CB 3.44Å; D427-S429 PolarHBondContact OD1-N 3.46Å; D427-S429 PolarHBondContact OD1-OG 2.93Å; D427-S429 PolarHBondContact OD2-OG 3.04Å; D427-V430 HydrophobicContact CB-CB 4.22Å; D427-V430 HydrophobicContact CB-CG2 4.06Å; D427-V430 PolarHBondContact O-N 3.49Å; D427-K457 WeakPolarHBondContact OD1-CD 3.32Å; D427-K457 WeakPolarHBondContact OD2-CE 3.41Å; D427-K457 IonicContact OD2-NZ 3.67Å; D427-K457 PolarHBondContact OD2-NZ 3.45Å
428	G	85.9	Confident	87.9	Confident	7 Å²	7	35.8 Å²	35.8	7%	0.072	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.5	178	0	0	0	0	0	114.4	V430 T456 A461	G428-V430 VanDerWaalsContact C-N 3.32Å; G428-T456 VanDerWaalsContact CA-O 3.32Å; G428-T456 WeakPolarHBondContact CA-O 3.35Å; G428-T456 PolarHBondContact N-O 3.5Å; G428-A461 VanDerWaalsContact O-CB 3.28Å; G428-A461 WeakPolarHBondContact O-CB 3.41Å
429	S	84.6	Confident	88.1	Confident	35 Å²	35	37.1 Å²	37.1	25%	0.245	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-13.2	176.4	72	0	0	0	0	113.3	D427	D427-S429 VanDerWaalsContact C-N 3.26Å; D427-S429 VanDerWaalsContact CG-OG 3.3Å; D427-S429 PolarHBondContact O-N 2.99Å; D427-S429 WeakPolarHBondContact OD1-CB 3.44Å; D427-S429 PolarHBondContact OD1-N 3.46Å; D427-S429 PolarHBondContact OD1-OG 2.93Å; D427-S429 PolarHBondContact OD2-OG 3.04Å
430	V	85.2	Confident	88.3	Confident	65 Å²	65	35.8 Å²	35.8	39%	0.394	18%	0.183	S	C	.	.	S	Bend	trans	-107.3	147.6	-178	-178.3	0	0	0	0	110.2	D427 G428 A432 R434	D427-V430 HydrophobicContact CB-CB 4.22Å; D427-V430 HydrophobicContact CB-CG2 4.06Å; D427-V430 PolarHBondContact O-N 3.49Å; G428-V430 VanDerWaalsContact C-N 3.32Å; V430-A432 PolarHBondContact O-N 3.31Å; V430-R434 HydrophobicContact CG1-CB 4.23Å
431	D	84.3	Confident	88.4	Confident	74 Å²	74	35.9 Å²	35.9	40%	0.396	18%	0.184	S	C	.	.			trans	-58	127.6	174.4	-72	-41.2	0	0	0	112.2	E433 R434 R470	D431-E433 PolarHBondContact O-N 2.89Å; D431-E433 VanDerWaalsContact O-N 3.11Å; D431-R434 HydrophobicContact CB-CG 4.3Å; D431-R434 WeakPolarHBondContact O-CB 3.31Å; D431-R434 PolarHBondContact O-N 2.6Å; D431-R470 IonicContact OD1-NH2 2.68Å
432	A	82.9	Confident	88.3	Confident	14 Å²	14	37 Å²	37	12%	0.116	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-50.4	-34.3	176.6	0	0	0	0	0	113.9	V430 R434 S435 L479 F480	V430-A432 PolarHBondContact O-N 3.31Å; A432-R434 PolarHBondContact O-N 3.46Å; A432-S435 WeakPolarHBondContact O-CB 3.4Å; A432-S435 PolarHBondContact O-N 2.91Å; A432-L479 HydrophobicContact CB-CD2 3.66Å; A432-L479 HydrophobicContact CB-CG 4.44Å; A432-F480 HydrophobicContact CB-CD1 4.21Å; A432-F480 HydrophobicContact CB-CE1 3.42Å; A432-F480 VanDerWaalsContact CB-CE1 3.42Å; A432-F480 HydrophobicContact CB-CE2 4.28Å; A432-F480 HydrophobicContact CB-CZ 3.45Å; A432-F480 VanDerWaalsContact CB-CZ 3.45Å; A432-F480 WeakPolarHBondContact O-CE1 3.38Å
433	E	84	Confident	88	Confident	134 Å²	134	40.9 Å²	40.9	63%	0.626	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-71	-11.4	-178.7	-55.6	81.9	-178.1	0	0	113.5	D431 R470	D431-E433 PolarHBondContact O-N 2.89Å; D431-E433 VanDerWaalsContact O-N 3.11Å; E433-R470 IonicContact OE1-CZ 3.47Å; E433-R470 IonicContact OE1-NH1 3.06Å; E433-R470 PolarHBondContact OE1-NH1 2.99Å; E433-R470 IonicContact OE1-NH2 2.62Å; E433-R470 PolarHBondContact OE1-NH2 3.07Å; E433-R470 IonicContact OE2-CZ 3.58Å; E433-R470 IonicContact OE2-NH1 2.89Å; E433-R470 IonicContact OE2-NH2 2.76Å; E433-R470 PolarHBondContact OE2-NH2 3.15Å
434	R	86.8	Confident	87.8	Confident	176 Å²	176	42.6 Å²	42.6	66%	0.664	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-89.8	-5.2	176.8	-63.8	-176.2	-179	-173.3	2.4	113.6	V430 D431 A432 N436	V430-R434 HydrophobicContact CG1-CB 4.23Å; D431-R434 HydrophobicContact CB-CG 4.3Å; D431-R434 WeakPolarHBondContact O-CB 3.31Å; D431-R434 PolarHBondContact O-N 2.6Å; A432-R434 PolarHBondContact O-N 3.46Å; R434-N436 PolarHBondContact O-N 3.48Å
435	S	85	Confident	87.6	Confident	12 Å²	12	43.1 Å²	43.1	8%	0.084	23%	0.232	C	C	.	.			trans	-71.6	120	-176.2	-174.6	0	0	0	0	111.6	D267 Q426 A432 T438	D267-S435 VanDerWaalsContact OD2-CA 3.31Å; D267-S435 WeakPolarHBondContact OD2-CA 3.49Å; D267-S435 PolarHBondContact OD2-OG 2.84Å; Q426-S435 VanDerWaalsContact CD-OG 3.27Å; Q426-S435 PolarHBondContact NE2-OG 3.41Å; Q426-S435 PolarHBondContact OE1-OG 3.17Å; A432-S435 WeakPolarHBondContact O-CB 3.4Å; A432-S435 PolarHBondContact O-N 2.91Å; S435-T438 WeakPolarHBondContact CB-OG1 3.13Å; S435-T438 PolarHBondContact OG-OG1 3.26Å
436	N	84	Confident	87.4	Confident	70 Å²	70	47.7 Å²	47.7	37%	0.374	26%	0.262	S	S	.	.	S	Bend	trans	-87.9	-31.6	176.2	-60.5	-65.1	0	0	0	111.6	D267 V391 R434 T438	D267-N436 PolarHBondContact OD1-N 3.43Å; D267-N436 PolarHBondContact OD2-N 2.91Å; V391-N436 HydrophobicContact CG1-CB 4.12Å; R434-N436 PolarHBondContact O-N 3.48Å; N436-T438 VanDerWaalsContact C-N 3.26Å; N436-T438 PolarHBondContact O-N 3.33Å
437	V	89.8	Confident	87.3	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.8	-28.3	-178.5	71.1	0	0	0	0	112.2	V265 D267 V391 D439 L440 V441	V265-V437 HydrophobicContact CB-CG2 3.96Å; V265-V437 HydrophobicContact CG2-CG2 4Å; D267-V437 PolarHBondContact OD1-N 3.12Å; V391-V437 HydrophobicContact CG2-CB 4.4Å; V391-V437 HydrophobicContact CG2-CG2 4.36Å; V437-D439 PolarHBondContact O-N 2.76Å; V437-L440 PolarHBondContact O-N 3.47Å; V437-V441 HydrophobicContact CG2-CG2 4.15Å; V437-V441 VanDerWaalsContact O-CG2 3.27Å; V437-V441 WeakPolarHBondContact O-CG2 3.3Å; V437-V441 PolarHBondContact O-N 3.27Å
438	T	87.8	Confident	87.2	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-43.2	-179.4	-62.9	0	0	0	0	112.1	Q426 S435 N436 L440 V441 A442 F480 P481 M482	Q426-T438 PolarHBondContact NE2-OG1 3.08Å; S435-T438 WeakPolarHBondContact CB-OG1 3.13Å; S435-T438 PolarHBondContact OG-OG1 3.26Å; N436-T438 VanDerWaalsContact C-N 3.26Å; N436-T438 PolarHBondContact O-N 3.33Å; T438-L440 VanDerWaalsContact C-N 3.34Å; T438-L440 PolarHBondContact O-N 3.23Å; T438-V441 PolarHBondContact O-N 2.94Å; T438-A442 VanDerWaalsContact O-CB 3.31Å; T438-A442 WeakPolarHBondContact O-CB 3.19Å; T438-A442 PolarHBondContact O-N 3.41Å; T438-F480 HydrophobicContact CG2-CB 4.37Å; T438-F480 HydrophobicContact CG2-CD1 3.92Å; T438-P481 HydrophobicContact CG2-CG 4.48Å; T438-M482 HydrophobicContact CG2-CB 4.5Å; T438-M482 HydrophobicContact CG2-CG 4.19Å; T438-M482 HydrophobicContact CG2-SD 3.75Å
439	D	86.9	Confident	87.4	Confident	109 Å²	109	58 Å²	58	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-65.8	-38.7	178.4	-70	-17.4	0	0	0	111.7	V437 S443	V437-D439 PolarHBondContact O-N 2.76Å; D439-S443 WeakPolarHBondContact O-CB 3.11Å; D439-S443 PolarHBondContact O-N 3.47Å
440	L	88.8	Confident	87.7	Confident	14 Å²	14	57.6 Å²	57.6	7%	0.073	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-46.8	176.4	-178.3	63.7	0	0	0	111	L408 C411 R412 M415 V437 T438 S443 L444	L408-L440 HydrophobicContact CD2-CD2 4.1Å; C411-L440 HydrophobicContact CB-CD2 3.95Å; R412-L440 HydrophobicContact CG-CD1 3.84Å; M415-L440 HydrophobicContact CE-CG 4.44Å; M415-L440 HydrophobicContact SD-CD2 4.06Å; M415-L440 HydrophobicContact SD-CG 4.33Å; V437-L440 PolarHBondContact O-N 3.47Å; T438-L440 VanDerWaalsContact C-N 3.34Å; T438-L440 PolarHBondContact O-N 3.23Å; L440-S443 PolarHBondContact O-N 3.42Å; L440-S443 PolarHBondContact O-OG 3.06Å; L440-L444 HydrophobicContact CD1-CD1 4.23Å; L440-L444 HydrophobicContact CG-CD1 4.37Å; L440-L444 PolarHBondContact O-N 3.22Å
441	V	91.8	Very high	88.1	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-44.7	178.3	176.9	0	0	0	0	110.9	V265 M415 I422 C424 V437 T438 S443 L444 D445 T451 M482	V265-V441 HydrophobicContact CG2-CG2 4.17Å; M415-V441 HydrophobicContact CE-CB 4.22Å; M415-V441 HydrophobicContact CE-CG2 3.54Å; I422-V441 HydrophobicContact CG2-CG1 4.24Å; I422-V441 HydrophobicContact CG2-CG2 4.08Å; C424-V441 HydrophobicContact CB-CG2 4.4Å; V437-V441 HydrophobicContact CG2-CG2 4.15Å; V437-V441 VanDerWaalsContact O-CG2 3.27Å; V437-V441 WeakPolarHBondContact O-CG2 3.3Å; V437-V441 PolarHBondContact O-N 3.27Å; T438-V441 PolarHBondContact O-N 2.94Å; V441-S443 VanDerWaalsContact C-N 3.25Å; V441-S443 PolarHBondContact O-N 3.18Å; V441-L444 PolarHBondContact O-N 2.85Å; V441-L444 VanDerWaalsContact O-N 3.13Å; V441-D445 PolarHBondContact O-N 3.4Å; V441-T451 HydrophobicContact CG1-CG2 3.62Å; V441-M482 HydrophobicContact CB-CE 4.38Å; V441-M482 HydrophobicContact CG1-CE 3.62Å
442	A	89.3	Confident	88.5	Confident	25 Å²	25	51.2 Å²	51.2	21%	0.207	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-32.7	178.1	0	0	0	0	0	112.7	T438 P446 M482	T438-A442 VanDerWaalsContact O-CB 3.31Å; T438-A442 WeakPolarHBondContact O-CB 3.19Å; T438-A442 PolarHBondContact O-N 3.41Å; A442-P446 WeakPolarHBondContact O-CA 3.26Å; A442-M482 HydrophobicContact CB-CB 4.3Å
443	S	89.3	Confident	89	Confident	80 Å²	80	50.5 Å²	50.5	56%	0.559	26%	0.258	S	S	*	.	H	α-helix	trans	-69.4	-31.3	175.7	77.3	0	0	0	0	113.6	D439 L440 V441	D439-S443 WeakPolarHBondContact O-CB 3.11Å; D439-S443 PolarHBondContact O-N 3.47Å; L440-S443 PolarHBondContact O-N 3.42Å; L440-S443 PolarHBondContact O-OG 3.06Å; V441-S443 VanDerWaalsContact C-N 3.25Å; V441-S443 PolarHBondContact O-N 3.18Å
444	L	88.8	Confident	89.5	Confident	42 Å²	42	44.1 Å²	44.1	22%	0.22	23%	0.228	C	C	.	.	H	α-helix	trans	-97.9	-27.7	-175	-66.5	174.5	0	0	0	113.7	M415 E416 L440 V441 R450	M415-L444 HydrophobicContact CB-CD1 3.5Å; M415-L444 HydrophobicContact CE-CD1 3.81Å; M415-L444 HydrophobicContact CG-CD1 4.38Å; M415-L444 HydrophobicContact SD-CD1 4.01Å; E416-L444 HydrophobicContact CG-CD2 4.18Å; L440-L444 HydrophobicContact CD1-CD1 4.23Å; L440-L444 HydrophobicContact CG-CD1 4.37Å; L440-L444 PolarHBondContact O-N 3.22Å; V441-L444 PolarHBondContact O-N 2.85Å; V441-L444 VanDerWaalsContact O-N 3.13Å; L444-R450 PolarHBondContact O-NH2 3.45Å; L444-R450 VanDerWaalsContact O-NH2 3.11Å
445	D	90.8	Very high	89.7	Confident	11 Å²	11	35.9 Å²	35.9	6%	0.059	20%	0.197	C	C	.	.			trans	-133.9	71.2	174.9	-174.3	17.5	0	0	0	111.1	I422 V441 Q447 G448 K449 R450 T451	I422-D445 HydrophobicContact CD1-CB 4.45Å; V441-D445 PolarHBondContact O-N 3.4Å; D445-Q447 PolarHBondContact O-N 3.32Å; D445-Q447 VanDerWaalsContact O-N 3.15Å; D445-G448 PolarHBondContact O-N 3.06Å; D445-G448 PolarHBondContact OD1-N 2.85Å; D445-G448 WeakPolarHBondContact OD2-CA 3.33Å; D445-K449 PolarHBondContact OD1-N 3.47Å; D445-K449 VanDerWaalsContact OD1-N 3.16Å; D445-K449 PolarHBondContact OD2-N 3.44Å; D445-R450 HydrophobicContact CB-CG 4.32Å; D445-R450 WeakPolarHBondContact OD2-CG 3.38Å; D445-R450 PolarHBondContact OD2-N 2.95Å; D445-R450 VanDerWaalsContact OD2-N 3.08Å; D445-T451 PolarHBondContact OD2-N 3.33Å; D445-T451 PolarHBondContact OD2-OG1 2.88Å
446	P	88	Confident	90	Very high	97 Å²	97	35.4 Å²	35.4	63%	0.63	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.5	-179.8	25.8	-35.2	0	0	0	113.3	A442	A442-P446 WeakPolarHBondContact O-CA 3.26Å
447	Q	89.1	Confident	90.2	Very high	119 Å²	119	34.8 Å²	34.8	56%	0.556	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-16	179.1	-65.2	-171.9	-11.5	0	0	113.2	D445 K449	D445-Q447 PolarHBondContact O-N 3.32Å; D445-Q447 VanDerWaalsContact O-N 3.15Å; Q447-K449 VanDerWaalsContact C-N 3.34Å; Q447-K449 HydrophobicContact CB-CD 4.23Å; Q447-K449 HydrophobicContact CB-CG 4.03Å
448	G	88.7	Confident	90.1	Very high	5 Å²	5	34.9 Å²	34.9	5%	0.052	19%	0.188	C	C	.	.			trans	69.3	26.6	-178.9	0	0	0	0	0	114.5	D445 K483 I485	D445-G448 PolarHBondContact O-N 3.06Å; D445-G448 PolarHBondContact OD1-N 2.85Å; D445-G448 WeakPolarHBondContact OD2-CA 3.33Å; G448-K483 WeakPolarHBondContact CA-O 3.22Å; G448-I485 WeakPolarHBondContact O-CG1 3.48Å; G448-I485 PolarHBondContact O-N 3.05Å
449	K	89.6	Confident	90.1	Very high	132 Å²	132	35 Å²	35	57%	0.574	19%	0.189	S	C	*	.	S	Bend	trans	-78.9	-19.5	-172.7	-77.5	178	169.2	170.7	0	114.1	D445 Q447 I485 R538	D445-K449 PolarHBondContact OD1-N 3.47Å; D445-K449 VanDerWaalsContact OD1-N 3.16Å; D445-K449 PolarHBondContact OD2-N 3.44Å; Q447-K449 VanDerWaalsContact C-N 3.34Å; Q447-K449 HydrophobicContact CB-CD 4.23Å; Q447-K449 HydrophobicContact CB-CG 4.03Å; K449-I485 WeakPolarHBondContact O-CD1 3.37Å; K449-R538 PolarHBondContact O-NH2 3.1Å
450	R	91.5	Very high	90	Very high	26 Å²	26	32.8 Å²	32.8	10%	0.098	18%	0.176	C	C	.	.	S	Bend	trans	-132.2	11.1	-174	63	-170.1	-179.5	105.1	-3.4	112.2	M415 N417 P418 A420 I421 I422 L444 D445 M542	M415-R450 PolarHBondContact O-NH1 3.26Å; M415-R450 PolarHBondContact O-NH2 3.19Å; N417-R450 PolarHBondContact O-NH1 3.49Å; P418-R450 VanDerWaalsContact O-CD 3.23Å; P418-R450 WeakPolarHBondContact O-CD 3.12Å; A420-R450 WeakPolarHBondContact O-CB 3.24Å; A420-R450 WeakPolarHBondContact O-CD 3.35Å; A420-R450 PolarHBondContact O-NH1 3.07Å; I421-R450 CarbonylContact C-O 3.55Å; I421-R450 VanDerWaalsContact CA-O 3.3Å; I421-R450 WeakPolarHBondContact CA-O 3.07Å; I422-R450 PolarHBondContact N-O 2.87Å; L444-R450 PolarHBondContact O-NH2 3.45Å; L444-R450 VanDerWaalsContact O-NH2 3.11Å; D445-R450 HydrophobicContact CB-CG 4.32Å; D445-R450 WeakPolarHBondContact OD2-CG 3.38Å; D445-R450 PolarHBondContact OD2-N 2.95Å; D445-R450 VanDerWaalsContact OD2-N 3.08Å; R450-M542 HydrophobicContact CB-CE 4.32Å
451	T	93.3	Very high	89.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.6	-177.6	-57.3	0	0	0	0	111.2	I422 C424 V441 D445 M482 A484 I485	I422-T451 HydrophobicContact CB-CG2 4.36Å; I422-T451 HydrophobicContact CG2-CG2 4.32Å; I422-T451 CarbonylContact O-C 3.51Å; I422-T451 WeakPolarHBondContact O-CA 3.45Å; C424-T451 HydrophobicContact CB-CG2 4.32Å; V441-T451 HydrophobicContact CG1-CG2 3.62Å; D445-T451 PolarHBondContact OD2-N 3.33Å; D445-T451 PolarHBondContact OD2-OG1 2.88Å; T451-M482 HydrophobicContact CG2-CE 3.45Å; T451-M482 VanDerWaalsContact CG2-CE 3.45Å; T451-A484 HydrophobicContact CG2-CB 4.47Å; T451-A484 CarbonylContact O-C 3.58Å; T451-A484 VanDerWaalsContact O-CA 3.28Å; T451-A484 WeakPolarHBondContact O-CA 3.18Å; T451-A484 WeakPolarHBondContact O-CB 3.22Å; T451-I485 PolarHBondContact O-N 3.18Å
452	I	93.4	Very high	89.1	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.2	171.5	-65	170.9	0	0	0	107.5	I421 I422 L423 C424 V454 I485 F488 V535	I421-I452 HydrophobicContact CG2-CD1 4.2Å; I422-I452 PolarHBondContact O-N 3Å; L423-I452 HydrophobicContact CD1-CB 3.99Å; L423-I452 HydrophobicContact CD1-CG2 3.87Å; C424-I452 PolarHBondContact N-O 3.43Å; I452-V454 HydrophobicContact CG2-CG2 4.38Å; I452-I485 HydrophobicContact CG1-CB 4.42Å; I452-F488 HydrophobicContact CG2-CD2 3.62Å; I452-F488 HydrophobicContact CG2-CE2 3.71Å; I452-V535 HydrophobicContact CD1-CG2 3.75Å
453	L	93.2	Very high	88.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.7	177.6	-165.1	98.5	0	0	0	109.9	C424 Q426 I474 F480 M482 A484 G486 Y487 F488	C424-L453 HydrophobicContact CB-CD1 4.21Å; C424-L453 WeakPolarHBondContact O-CA 3.45Å; Q426-L453 HydrophobicContact CG-CD1 3.9Å; Q426-L453 HydrophobicContact CG-CG 4.39Å; L453-I474 HydrophobicContact CD2-CG2 3.95Å; L453-F480 HydrophobicContact CD2-CD2 4.17Å; L453-F480 HydrophobicContact CD2-CE2 4.2Å; L453-M482 HydrophobicContact CD1-CE 3.86Å; L453-M482 HydrophobicContact CD1-SD 3.69Å; L453-A484 HydrophobicContact CB-CB 4.21Å; L453-G486 PolarHBondContact N-O 3.5Å; L453-Y487 HydrophobicContact CB-CD1 3.69Å; L453-Y487 HydrophobicContact CB-CE1 3.97Å; L453-Y487 HydrophobicContact CD2-CD1 3.57Å; L453-Y487 HydrophobicContact CD2-CE1 3.91Å; L453-Y487 HydrophobicContact CG-CD1 4.24Å; L453-Y487 HydrophobicContact CG-CE1 4.48Å; L453-Y487 WeakPolarHBondContact O-CA 3.29Å; L453-F488 PolarHBondContact O-N 3.03Å
454	V	93.3	Very high	87.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.4	177.6	-178	0	0	0	0	108.8	L423 C424 I425 Q426 I452 T456 F488 V490 M531	L423-V454 HydrophobicContact CD1-CG2 3.48Å; L423-V454 VanDerWaalsContact CD1-CG2 3.48Å; L423-V454 HydrophobicContact CG-CG2 4.03Å; C424-V454 PolarHBondContact O-N 2.7Å; I425-V454 WeakPolarHBondContact CA-O 3.35Å; I425-V454 HydrophobicContact CG1-CB 4.35Å; Q426-V454 PolarHBondContact N-O 3.34Å; I452-V454 HydrophobicContact CG2-CG2 4.38Å; V454-T456 HydrophobicContact CG1-CG2 4.38Å; V454-F488 WeakPolarHBondContact CA-O 3.49Å; V454-V490 HydrophobicContact CG1-CB 4.36Å; V454-V490 HydrophobicContact CG1-CG1 3.99Å; V454-V490 HydrophobicContact CG1-CG2 3.41Å; V454-V490 VanDerWaalsContact CG1-CG2 3.41Å; V454-M531 HydrophobicContact CB-SD 4.29Å; V454-M531 HydrophobicContact CG1-SD 3.77Å; V454-M531 HydrophobicContact CG2-CG 4.11Å; V454-M531 HydrophobicContact CG2-SD 3.46Å; V454-M531 WeakPolarHBondContact CG2-SD 3.37Å
455	L	91.5	Very high	86.8	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113	176.2	-165.5	68.4	0	0	0	109.1	Q426 V458 V471 I474 F488 V490	Q426-L455 HydrophobicContact CB-CD1 4.02Å; L455-V458 HydrophobicContact CB-CG1 4.29Å; L455-V458 HydrophobicContact CD2-CG1 3.79Å; L455-V458 HydrophobicContact CG-CG1 3.85Å; L455-V471 HydrophobicContact CD2-CG1 4.01Å; L455-I474 HydrophobicContact CD1-CG2 4.25Å; L455-I474 HydrophobicContact CD2-CD1 4.45Å; L455-I474 HydrophobicContact CD2-CG2 4.09Å; L455-F488 PolarHBondContact N-O 3.26Å; L455-V490 PolarHBondContact O-N 3.45Å
456	T	91.5	Very high	85.6	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	172.1	177.9	67.9	0	0	0	0	110.9	S270 V275 I425 Q426 G428 V454 V458 V490	S270-T456 PolarHBondContact O-OG1 3.45Å; V275-T456 HydrophobicContact CG2-CG2 3.69Å; I425-T456 HydrophobicContact CG2-CG2 3.49Å; I425-T456 VanDerWaalsContact CG2-CG2 3.49Å; Q426-T456 PolarHBondContact O-N 2.91Å; Q426-T456 PolarHBondContact O-OG1 3.46Å; Q426-T456 VanDerWaalsContact O-OG1 3.13Å; G428-T456 VanDerWaalsContact CA-O 3.32Å; G428-T456 WeakPolarHBondContact CA-O 3.35Å; G428-T456 PolarHBondContact N-O 3.5Å; V454-T456 HydrophobicContact CG1-CG2 4.38Å; T456-V458 PolarHBondContact O-N 3.06Å; T456-V458 VanDerWaalsContact O-N 3.11Å; T456-V490 WeakPolarHBondContact CA-O 3.37Å; T456-V490 HydrophobicContact CG2-CG2 3.81Å
457	K	87.9	Confident	84.8	Confident	58 Å²	58	48.8 Å²	48.8	25%	0.252	24%	0.24	S	C	.	.			trans	52.8	35.3	174.8	-52.1	-169.5	-158.9	159.3	0	113.9	S269 D427 D459 L460 A461	S269-K457 WeakPolarHBondContact O-CE 3.36Å; S269-K457 PolarHBondContact O-NZ 2.93Å; D427-K457 WeakPolarHBondContact OD1-CD 3.32Å; D427-K457 WeakPolarHBondContact OD2-CE 3.41Å; D427-K457 IonicContact OD2-NZ 3.67Å; D427-K457 PolarHBondContact OD2-NZ 3.45Å; K457-D459 VanDerWaalsContact CA-OD1 3.24Å; K457-D459 WeakPolarHBondContact CA-OD1 3.33Å; K457-D459 PolarHBondContact O-N 3.07Å; K457-L460 HydrophobicContact CB-CB 4.42Å; K457-L460 HydrophobicContact CB-CD1 4.25Å; K457-L460 HydrophobicContact CD-CD1 4Å; K457-L460 HydrophobicContact CG-CD1 4.49Å; K457-L460 PolarHBondContact O-N 2.64Å; K457-A461 PolarHBondContact O-N 3.14Å; K457-A461 VanDerWaalsContact O-N 3.11Å
458	V	87.6	Confident	84.1	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-69.6	-21.2	179	-69	0	0	0	0	112.5	L455 T456 A461 E462 A489 V491 F511 F512 F518	L455-V458 HydrophobicContact CB-CG1 4.29Å; L455-V458 HydrophobicContact CD2-CG1 3.79Å; L455-V458 HydrophobicContact CG-CG1 3.85Å; T456-V458 PolarHBondContact O-N 3.06Å; T456-V458 VanDerWaalsContact O-N 3.11Å; V458-A461 WeakPolarHBondContact O-CB 3.46Å; V458-A461 PolarHBondContact O-N 3.33Å; V458-E462 PolarHBondContact O-N 3.21Å; V458-E462 VanDerWaalsContact O-N 3.11Å; V458-A489 HydrophobicContact CG1-CB 4.16Å; V458-V491 HydrophobicContact CG2-CG2 3.53Å; V458-F511 HydrophobicContact CG2-CE1 3.82Å; V458-F511 HydrophobicContact CG2-CZ 4.5Å; V458-F512 HydrophobicContact CG2-CE1 4.15Å; V458-F512 HydrophobicContact CG2-CZ 4.05Å; V458-F518 HydrophobicContact CB-CE2 4.21Å; V458-F518 HydrophobicContact CB-CZ 3.87Å; V458-F518 HydrophobicContact CG1-CZ 4.24Å; V458-F518 HydrophobicContact CG2-CE2 4.43Å; V458-F518 HydrophobicContact CG2-CZ 4.33Å
459	D	87.3	Confident	83.7	Confident	7 Å²	7	51 Å²	51	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-51.3	168.9	58	-30.9	0	0	0	111.4	K457 A461 E462 E463 V491 Y507 F511	K457-D459 VanDerWaalsContact CA-OD1 3.24Å; K457-D459 WeakPolarHBondContact CA-OD1 3.33Å; K457-D459 PolarHBondContact O-N 3.07Å; D459-A461 PolarHBondContact O-N 3.27Å; D459-E462 PolarHBondContact O-N 2.96Å; D459-E462 VanDerWaalsContact O-N 3.15Å; D459-E463 WeakPolarHBondContact O-CG 3.38Å; D459-E463 PolarHBondContact O-N 2.97Å; D459-V491 HydrophobicContact CB-CG1 4.46Å; D459-V491 HydrophobicContact CB-CG2 4.44Å; D459-Y507 PolarHBondContact OD2-OH 3.33Å; D459-F511 VanDerWaalsContact CA-CZ 3.49Å; D459-F511 HydrophobicContact CB-CD2 3.97Å; D459-F511 HydrophobicContact CB-CE2 3.77Å; D459-F511 HydrophobicContact CB-CG 4.45Å; D459-F511 HydrophobicContact CB-CZ 4.07Å
460	L	85.1	Confident	83.4	Confident	62 Å²	62	47.3 Å²	47.3	33%	0.325	24%	0.24	S	C	.	.	H	α-helix	trans	-64.6	-30.7	174.9	-61.7	-178.3	0	0	0	112.1	K457 N464	K457-L460 HydrophobicContact CB-CB 4.42Å; K457-L460 HydrophobicContact CB-CD1 4.25Å; K457-L460 HydrophobicContact CD-CD1 4Å; K457-L460 HydrophobicContact CG-CD1 4.49Å; K457-L460 PolarHBondContact O-N 2.64Å; L460-N464 VanDerWaalsContact O-CB 3.26Å; L460-N464 WeakPolarHBondContact O-CB 3.41Å; L460-N464 VanDerWaalsContact O-CG 3.29Å; L460-N464 PolarHBondContact O-N 3.15Å; L460-N464 PolarHBondContact O-ND2 3.5Å
461	A	82.3	Confident	82.9	Confident	2 Å²	2	46.6 Å²	46.6	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-39.8	175	0	0	0	0	0	112.1	G428 K457 V458 D459 I466	G428-A461 VanDerWaalsContact O-CB 3.28Å; G428-A461 WeakPolarHBondContact O-CB 3.41Å; K457-A461 PolarHBondContact O-N 3.14Å; K457-A461 VanDerWaalsContact O-N 3.11Å; V458-A461 WeakPolarHBondContact O-CB 3.46Å; V458-A461 PolarHBondContact O-N 3.33Å; D459-A461 PolarHBondContact O-N 3.27Å; A461-I466 HydrophobicContact CB-CD1 4.02Å; A461-I466 WeakPolarHBondContact O-CB 3.19Å; A461-I466 PolarHBondContact O-N 3.11Å; A461-I466 VanDerWaalsContact O-N 3.15Å
462	E	79.7	Confident	82.4	Confident	57 Å²	57	51.2 Å²	51.2	27%	0.266	26%	0.259	S	S	.	.	H	α-helix	trans	-70.8	-41.4	175.9	-171.2	166	-175.7	0	0	111.3	V458 D459 L465 F511 S515 L517	V458-E462 PolarHBondContact O-N 3.21Å; V458-E462 VanDerWaalsContact O-N 3.11Å; D459-E462 PolarHBondContact O-N 2.96Å; D459-E462 VanDerWaalsContact O-N 3.15Å; E462-L465 PolarHBondContact O-N 3.22Å; E462-F511 HydrophobicContact CB-CE2 4.47Å; E462-F511 HydrophobicContact CB-CZ 4.35Å; E462-F511 WeakPolarHBondContact OE2-CE2 3.35Å; E462-F511 VanDerWaalsContact OE2-CZ 3.25Å; E462-F511 WeakPolarHBondContact OE2-CZ 3.19Å; E462-S515 PolarHBondContact OE1-OG 2.89Å; E462-S515 WeakPolarHBondContact OE2-CB 3.24Å; E462-S515 PolarHBondContact OE2-OG 3.35Å; E462-L517 HydrophobicContact CB-CD1 4.49Å; E462-L517 HydrophobicContact CG-CD1 4.06Å
463	E	79.3	Confident	82	Confident	129 Å²	129	56.1 Å²	56.1	60%	0.603	28%	0.28	S	S	*	.	H	α-helix	trans	-64.6	-40.1	176.8	-72.1	-176.5	172.6	0	0	113.1	D459 L465	D459-E463 WeakPolarHBondContact O-CG 3.38Å; D459-E463 PolarHBondContact O-N 2.97Å; E463-L465 PolarHBondContact O-N 3.1Å
464	N	74.9	Confident	81.7	Confident	106 Å²	106	56.7 Å²	56.7	57%	0.567	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	10.4	179	-70.3	-54.3	0	0	0	113.6	L460 I466	L460-N464 VanDerWaalsContact O-CB 3.26Å; L460-N464 WeakPolarHBondContact O-CB 3.41Å; L460-N464 VanDerWaalsContact O-CG 3.29Å; L460-N464 PolarHBondContact O-N 3.15Å; L460-N464 PolarHBondContact O-ND2 3.5Å; N464-I466 HydrophobicContact CB-CG1 4.37Å; N464-I466 PolarHBondContact O-N 3.5Å
465	L	64.7	Low	81.3	Confident	155 Å²	155	56.9 Å²	56.9	81%	0.812	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	33.5	178.5	-64.1	161.4	0	0	0	113.1	E462 E463 N467	E462-L465 PolarHBondContact O-N 3.22Å; E463-L465 PolarHBondContact O-N 3.1Å; L465-N467 PolarHBondContact O-N 2.64Å
466	I	66.3	Low	81	Confident	41 Å²	41	60.1 Å²	60.1	21%	0.21	30%	0.301	C	S	.	.			trans	-63.2	133.7	172.4	-60.2	-178.5	0	0	0	107.9	A461 N464 P468	A461-I466 HydrophobicContact CB-CD1 4.02Å; A461-I466 WeakPolarHBondContact O-CB 3.19Å; A461-I466 PolarHBondContact O-N 3.11Å; A461-I466 VanDerWaalsContact O-N 3.15Å; N464-I466 HydrophobicContact CB-CG1 4.37Å; N464-I466 PolarHBondContact O-N 3.5Å; I466-P468 WeakPolarHBondContact O-CD 3.08Å
467	N	71.5	Confident	80.7	Confident	116 Å²	116	61 Å²	61	62%	0.62	31%	0.311	S	S	*	.			trans	-47.2	117.6	-177.4	-76	-35	0	0	0	110.7	L465 D469 R470	L465-N467 PolarHBondContact O-N 2.64Å; N467-D469 PolarHBondContact O-N 3.22Å; N467-R470 HydrophobicContact CB-CB 4.25Å; N467-R470 WeakPolarHBondContact O-CA 3.46Å; N467-R470 WeakPolarHBondContact O-CB 3.29Å; N467-R470 PolarHBondContact O-N 3.44Å
468	P	74.7	Confident	80.6	Confident	57 Å²	57	65.6 Å²	65.6	37%	0.37	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-32.3	-173.3	22.7	-34.3	0	0	0	113	I466 R470 V471 K472 L517	I466-P468 WeakPolarHBondContact O-CD 3.08Å; P468-R470 PolarHBondContact O-N 3.26Å; P468-V471 PolarHBondContact O-N 3.04Å; P468-K472 PolarHBondContact O-N 3.39Å; P468-K472 VanDerWaalsContact O-N 3.09Å; P468-L517 HydrophobicContact CB-CD1 3.64Å; P468-L517 HydrophobicContact CB-CD2 3.22Å; P468-L517 HydrophobicContact CB-CG 3.99Å; P468-L517 HydrophobicContact CG-CD2 4.04Å
469	D	79.9	Confident	80.4	Confident	113 Å²	113	68 Å²	68	60%	0.604	34%	0.343	S	S	*	.	H	α-helix	trans	-60.1	-26.6	174	-66	-31.2	0	0	0	112.7	N467 K473	N467-D469 PolarHBondContact O-N 3.22Å; D469-K473 WeakPolarHBondContact O-CB 3.42Å; D469-K473 WeakPolarHBondContact O-CG 2.93Å; D469-K473 PolarHBondContact O-N 2.92Å
470	R	81.9	Confident	80.2	Confident	55 Å²	55	68.5 Å²	68.5	21%	0.208	35%	0.345	C	S	.	.	H	α-helix	trans	-73.6	-43.7	178.7	-169.8	170.4	163.7	103.8	-7.7	111	D431 E433 N467 P468 K472 K473 I474 L479	D431-R470 IonicContact OD1-NH2 2.68Å; E433-R470 IonicContact OE1-CZ 3.47Å; E433-R470 IonicContact OE1-NH1 3.06Å; E433-R470 PolarHBondContact OE1-NH1 2.99Å; E433-R470 IonicContact OE1-NH2 2.62Å; E433-R470 PolarHBondContact OE1-NH2 3.07Å; E433-R470 IonicContact OE2-CZ 3.58Å; E433-R470 IonicContact OE2-NH1 2.89Å; E433-R470 IonicContact OE2-NH2 2.76Å; E433-R470 PolarHBondContact OE2-NH2 3.15Å; N467-R470 HydrophobicContact CB-CB 4.25Å; N467-R470 WeakPolarHBondContact O-CA 3.46Å; N467-R470 WeakPolarHBondContact O-CB 3.29Å; N467-R470 PolarHBondContact O-N 3.44Å; P468-R470 PolarHBondContact O-N 3.26Å; R470-K472 VanDerWaalsContact C-N 3.31Å; R470-K472 PolarHBondContact O-N 3.38Å; R470-K473 WeakPolarHBondContact O-CB 3.45Å; R470-K473 PolarHBondContact O-N 3.37Å; R470-I474 WeakPolarHBondContact O-CG1 3.39Å; R470-I474 PolarHBondContact O-N 2.82Å; R470-L479 HydrophobicContact CG-CD2 3.86Å
471	V	81.5	Confident	80.1	Confident	10 Å²	10	70.4 Å²	70.4	6%	0.061	36%	0.361	C	S	.	.	H	α-helix	trans	-61.1	-43.5	173.3	-179.7	0	0	0	0	110.3	L455 P468 K473 I474 L475 F518	L455-V471 HydrophobicContact CD2-CG1 4.01Å; P468-V471 PolarHBondContact O-N 3.04Å; V471-K473 PolarHBondContact O-N 3.01Å; V471-I474 WeakPolarHBondContact O-CB 3.32Å; V471-I474 PolarHBondContact O-N 3.13Å; V471-I474 VanDerWaalsContact O-N 3.13Å; V471-L475 HydrophobicContact CG1-CD1 4.34Å; V471-L475 PolarHBondContact O-N 3.27Å; V471-F518 HydrophobicContact CG1-CE1 3.87Å; V471-F518 HydrophobicContact CG1-CZ 3.81Å
472	K	82.7	Confident	80.2	Confident	97 Å²	97	70.7 Å²	70.7	42%	0.422	36%	0.362	S	S	.	.	H	α-helix	trans	-60.5	-41.9	173.8	-172.7	172.4	-178	174	0	112.6	P468 R470 I474 L475 D476 L521	P468-K472 PolarHBondContact O-N 3.39Å; P468-K472 VanDerWaalsContact O-N 3.09Å; R470-K472 VanDerWaalsContact C-N 3.31Å; R470-K472 PolarHBondContact O-N 3.38Å; K472-I474 VanDerWaalsContact C-N 3.28Å; K472-I474 PolarHBondContact O-N 2.94Å; K472-L475 PolarHBondContact O-N 3.45Å; K472-D476 VanDerWaalsContact O-CB 3.32Å; K472-D476 WeakPolarHBondContact O-CB 3.39Å; K472-D476 PolarHBondContact O-N 2.95Å; K472-L521 HydrophobicContact CG-CD2 4.42Å
473	K	86	Confident	80.5	Confident	108 Å²	108	74.7 Å²	74.7	47%	0.47	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-31	174.8	-77.4	171.4	-175.7	179.6	0	113.3	D469 R470 V471 G477 K478 L479	D469-K473 WeakPolarHBondContact O-CB 3.42Å; D469-K473 WeakPolarHBondContact O-CG 2.93Å; D469-K473 PolarHBondContact O-N 2.92Å; R470-K473 WeakPolarHBondContact O-CB 3.45Å; R470-K473 PolarHBondContact O-N 3.37Å; V471-K473 PolarHBondContact O-N 3.01Å; K473-G477 PolarHBondContact O-N 3.12Å; K473-K478 PolarHBondContact O-N 3.14Å; K473-L479 HydrophobicContact CB-CB 4.29Å; K473-L479 PolarHBondContact O-N 3.46Å
474	I	86.7	Confident	81	Confident	12 Å²	12	69.3 Å²	69.3	6%	0.062	36%	0.357	C	S	.	.	H	α-helix	trans	-67.9	-49.2	173.9	-68.5	165.8	0	0	0	109.9	L453 L455 R470 V471 K472 D476 G477 L479 F480 Y487	L453-I474 HydrophobicContact CD2-CG2 3.95Å; L455-I474 HydrophobicContact CD1-CG2 4.25Å; L455-I474 HydrophobicContact CD2-CD1 4.45Å; L455-I474 HydrophobicContact CD2-CG2 4.09Å; R470-I474 WeakPolarHBondContact O-CG1 3.39Å; R470-I474 PolarHBondContact O-N 2.82Å; V471-I474 WeakPolarHBondContact O-CB 3.32Å; V471-I474 PolarHBondContact O-N 3.13Å; V471-I474 VanDerWaalsContact O-N 3.13Å; K472-I474 VanDerWaalsContact C-N 3.28Å; K472-I474 PolarHBondContact O-N 2.94Å; I474-D476 VanDerWaalsContact C-N 3.33Å; I474-D476 PolarHBondContact O-N 2.93Å; I474-G477 WeakPolarHBondContact O-CA 3.5Å; I474-G477 PolarHBondContact O-N 3.36Å; I474-L479 HydrophobicContact CD1-CD2 3.82Å; I474-L479 HydrophobicContact CG1-CB 3.94Å; I474-L479 HydrophobicContact CG1-CD2 3.39Å; I474-L479 HydrophobicContact CG1-CG 4.3Å; I474-F480 HydrophobicContact CB-CE2 4.45Å; I474-F480 HydrophobicContact CD1-CE2 4.33Å; I474-F480 HydrophobicContact CG1-CD2 4.43Å; I474-F480 HydrophobicContact CG1-CE2 3.99Å; I474-F480 HydrophobicContact CG2-CD2 4.11Å; I474-F480 HydrophobicContact CG2-CE2 3.72Å; I474-Y487 WeakPolarHBondContact O-CD1 3.41Å
475	L	84.7	Confident	81.6	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-69	-30	-179.6	-65.4	175.4	0	0	0	113.1	V471 K472 G477 Y487 A489 F518 L521	V471-L475 HydrophobicContact CG1-CD1 4.34Å; V471-L475 PolarHBondContact O-N 3.27Å; K472-L475 PolarHBondContact O-N 3.45Å; L475-G477 PolarHBondContact O-N 3.48Å; L475-Y487 WeakPolarHBondContact O-CB 3.41Å; L475-Y487 WeakPolarHBondContact O-CD2 3.32Å; L475-A489 HydrophobicContact CD1-CB 4.27Å; L475-A489 HydrophobicContact CD2-CB 4.24Å; L475-F518 HydrophobicContact CD1-CD1 4.45Å; L475-F518 HydrophobicContact CD1-CE1 3.98Å; L475-L521 HydrophobicContact CD1-CD1 3.5Å; L475-L521 HydrophobicContact CD1-CD2 4.4Å
476	D	85.4	Confident	82.7	Confident	70 Å²	70	61.5 Å²	61.5	37%	0.374	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.8	169.2	-81.4	7.8	0	0	0	112.9	K472 I474 K478	K472-D476 VanDerWaalsContact O-CB 3.32Å; K472-D476 WeakPolarHBondContact O-CB 3.39Å; K472-D476 PolarHBondContact O-N 2.95Å; I474-D476 VanDerWaalsContact C-N 3.33Å; I474-D476 PolarHBondContact O-N 2.93Å; D476-K478 VanDerWaalsContact C-N 3.3Å; D476-K478 HydrophobicContact CB-CD 3.97Å; D476-K478 HydrophobicContact CB-CG 4.09Å; D476-K478 PolarHBondContact O-N 3.05Å; D476-K478 IonicContact OD2-NZ 3.57Å; D476-K478 PolarHBondContact OD2-NZ 3.38Å
477	G	84.4	Confident	83.9	Confident	21 Å²	21	60.8 Å²	60.8	22%	0.216	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	23.5	-177.2	0	0	0	0	0	114.9	K473 I474 L475 Y487	K473-G477 PolarHBondContact O-N 3.12Å; I474-G477 WeakPolarHBondContact O-CA 3.5Å; I474-G477 PolarHBondContact O-N 3.36Å; L475-G477 PolarHBondContact O-N 3.48Å; G477-Y487 WeakPolarHBondContact CA-OH 3.27Å
478	K	85.6	Confident	84.9	Confident	153 Å²	153	56.2 Å²	56.2	67%	0.665	29%	0.288	S	S	*	.			trans	-98	-19.8	-176.6	-68.1	171.6	-172.5	151.2	0	113.7	K473 D476	K473-K478 PolarHBondContact O-N 3.14Å; D476-K478 VanDerWaalsContact C-N 3.3Å; D476-K478 HydrophobicContact CB-CD 3.97Å; D476-K478 HydrophobicContact CB-CG 4.09Å; D476-K478 PolarHBondContact O-N 3.05Å; D476-K478 IonicContact OD2-NZ 3.57Å; D476-K478 PolarHBondContact OD2-NZ 3.38Å
479	L	84.6	Confident	85.7	Confident	52 Å²	52	53.5 Å²	53.5	27%	0.272	27%	0.27	S	S	.	.	S	Bend	trans	-84.6	-48.5	-174.9	-165.8	71.4	0	0	0	112.6	A432 R470 K473 I474	A432-L479 HydrophobicContact CB-CD2 3.66Å; A432-L479 HydrophobicContact CB-CG 4.44Å; R470-L479 HydrophobicContact CG-CD2 3.86Å; K473-L479 HydrophobicContact CB-CB 4.29Å; K473-L479 PolarHBondContact O-N 3.46Å; I474-L479 HydrophobicContact CD1-CD2 3.82Å; I474-L479 HydrophobicContact CG1-CB 3.94Å; I474-L479 HydrophobicContact CG1-CD2 3.39Å; I474-L479 HydrophobicContact CG1-CG 4.3Å
480	F	83	Confident	86.3	Confident	18 Å²	18	48.1 Å²	48.1	8%	0.079	24%	0.241	C	C	.	.	S	Bend	trans	-82.3	143.3	-177.6	-70	-74.1	0	0	0	111.5	Q426 A432 T438 L453 I474 M482	Q426-F480 HydrophobicContact CG-CZ 4.22Å; A432-F480 HydrophobicContact CB-CD1 4.21Å; A432-F480 HydrophobicContact CB-CE1 3.42Å; A432-F480 VanDerWaalsContact CB-CE1 3.42Å; A432-F480 HydrophobicContact CB-CE2 4.28Å; A432-F480 HydrophobicContact CB-CZ 3.45Å; A432-F480 VanDerWaalsContact CB-CZ 3.45Å; A432-F480 WeakPolarHBondContact O-CE1 3.38Å; T438-F480 HydrophobicContact CG2-CB 4.37Å; T438-F480 HydrophobicContact CG2-CD1 3.92Å; L453-F480 HydrophobicContact CD2-CD2 4.17Å; L453-F480 HydrophobicContact CD2-CE2 4.2Å; I474-F480 HydrophobicContact CB-CE2 4.45Å; I474-F480 HydrophobicContact CD1-CE2 4.33Å; I474-F480 HydrophobicContact CG1-CD2 4.43Å; I474-F480 HydrophobicContact CG1-CE2 3.99Å; I474-F480 HydrophobicContact CG2-CD2 4.11Å; I474-F480 HydrophobicContact CG2-CE2 3.72Å; F480-M482 HydrophobicContact CB-CG 3.85Å; F480-M482 PolarHBondContact O-N 3.13Å
481	P	81.9	Confident	86.7	Confident	102 Å²	102	45.5 Å²	45.5	66%	0.662	23%	0.232	S	C	*	.	S	Bend	trans	-77.1	37.4	176.4	35.2	-37.4	0	0	0	112.4	T438	T438-P481 HydrophobicContact CG2-CG 4.48Å
482	M	84.5	Confident	86.9	Confident	9 Å²	9	45.5 Å²	45.5	4%	0.044	23%	0.233	C	C	.	.	S	Bend	trans	-134.7	154.1	178.6	67.1	-179.5	-77.3	0	0	109.6	C424 T438 V441 A442 T451 L453 F480	C424-M482 HydrophobicContact CB-CE 4.38Å; T438-M482 HydrophobicContact CG2-CB 4.5Å; T438-M482 HydrophobicContact CG2-CG 4.19Å; T438-M482 HydrophobicContact CG2-SD 3.75Å; V441-M482 HydrophobicContact CB-CE 4.38Å; V441-M482 HydrophobicContact CG1-CE 3.62Å; A442-M482 HydrophobicContact CB-CB 4.3Å; T451-M482 HydrophobicContact CG2-CE 3.45Å; T451-M482 VanDerWaalsContact CG2-CE 3.45Å; L453-M482 HydrophobicContact CD1-CE 3.86Å; L453-M482 HydrophobicContact CD1-SD 3.69Å; F480-M482 HydrophobicContact CB-CG 3.85Å; F480-M482 PolarHBondContact O-N 3.13Å
483	K	86.3	Confident	86.8	Confident	140 Å²	140	42.1 Å²	42.1	61%	0.609	23%	0.226	S	C	*	.			trans	-103.9	148.4	170.7	-66.7	-178.6	-179.4	-179.7	0	108.7	G448	G448-K483 WeakPolarHBondContact CA-O 3.22Å
484	A	89.6	Confident	86.2	Confident	17 Å²	17	40.5 Å²	40.5	14%	0.14	22%	0.218	C	C	.	.			trans	-137.9	154.7	172.8	0	0	0	0	0	109.3	T451 L453 G486 Y487	T451-A484 HydrophobicContact CG2-CB 4.47Å; T451-A484 CarbonylContact O-C 3.58Å; T451-A484 VanDerWaalsContact O-CA 3.28Å; T451-A484 WeakPolarHBondContact O-CA 3.18Å; T451-A484 WeakPolarHBondContact O-CB 3.22Å; L453-A484 HydrophobicContact CB-CB 4.21Å; A484-G486 VanDerWaalsContact C-N 3.26Å; A484-Y487 HydrophobicContact CB-CE1 4.1Å; A484-Y487 HydrophobicContact CB-CE2 4.17Å; A484-Y487 PolarHBondContact N-OH 3Å
485	I	88.3	Confident	85.4	Confident	80 Å²	80	43.5 Å²	43.5	41%	0.41	25%	0.252	S	S	.	.	S	Bend	trans	-63.6	-38	175	-54.6	173.9	0	0	0	110.2	G448 K449 T451 I452 R538	G448-I485 WeakPolarHBondContact O-CG1 3.48Å; G448-I485 PolarHBondContact O-N 3.05Å; K449-I485 WeakPolarHBondContact O-CD1 3.37Å; T451-I485 PolarHBondContact O-N 3.18Å; I452-I485 HydrophobicContact CG1-CB 4.42Å; I485-R538 HydrophobicContact CD1-CG 4.21Å
486	G	87.6	Confident	84.7	Confident	16 Å²	16	48.6 Å²	48.6	17%	0.165	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	154.2	-179.3	0	0	0	0	0	111.3	L453 A484	L453-G486 PolarHBondContact N-O 3.5Å; A484-G486 VanDerWaalsContact C-N 3.26Å
487	Y	91.6	Very high	83.7	Confident	27 Å²	27	51.1 Å²	51.1	11%	0.106	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.1	176.8	-61.7	-93.8	0	0	0	107.4	L453 I474 L475 G477 A484	L453-Y487 HydrophobicContact CB-CD1 3.69Å; L453-Y487 HydrophobicContact CB-CE1 3.97Å; L453-Y487 HydrophobicContact CD2-CD1 3.57Å; L453-Y487 HydrophobicContact CD2-CE1 3.91Å; L453-Y487 HydrophobicContact CG-CD1 4.24Å; L453-Y487 HydrophobicContact CG-CE1 4.48Å; L453-Y487 WeakPolarHBondContact O-CA 3.29Å; I474-Y487 WeakPolarHBondContact O-CD1 3.41Å; L475-Y487 WeakPolarHBondContact O-CB 3.41Å; L475-Y487 WeakPolarHBondContact O-CD2 3.32Å; G477-Y487 WeakPolarHBondContact CA-OH 3.27Å; A484-Y487 HydrophobicContact CB-CE1 4.1Å; A484-Y487 HydrophobicContact CB-CE2 4.17Å; A484-Y487 PolarHBondContact N-OH 3Å
488	F	92.8	Very high	82.9	Confident	19 Å²	19	52.5 Å²	52.5	8%	0.083	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.1	-179.1	-64.3	-86.5	0	0	0	110.8	I452 L453 V454 L455 S524 Q525 M531 A534	I452-F488 HydrophobicContact CG2-CD2 3.62Å; I452-F488 HydrophobicContact CG2-CE2 3.71Å; L453-F488 PolarHBondContact O-N 3.03Å; V454-F488 WeakPolarHBondContact CA-O 3.49Å; L455-F488 PolarHBondContact N-O 3.26Å; F488-S524 WeakPolarHBondContact CE1-O 3.45Å; F488-Q525 CarbonylContact C-O 3.57Å; F488-Q525 VanDerWaalsContact CA-O 3.25Å; F488-Q525 WeakPolarHBondContact CA-O 3.18Å; F488-M531 HydrophobicContact CB-CB 4.09Å; F488-M531 HydrophobicContact CB-CG 4.11Å; F488-M531 HydrophobicContact CD1-CB 3.85Å; F488-M531 HydrophobicContact CD1-CG 4.44Å; F488-M531 HydrophobicContact CD2-CB 4.31Å; F488-M531 HydrophobicContact CD2-CG 4.01Å; F488-M531 HydrophobicContact CE1-CB 4.38Å; F488-M531 HydrophobicContact CG-CB 3.81Å; F488-M531 HydrophobicContact CG-CG 3.93Å; F488-A534 HydrophobicContact CE1-CB 4.26Å; F488-A534 HydrophobicContact CE2-CB 4.27Å; F488-A534 HydrophobicContact CZ-CB 3.54Å
489	A	91.2	Very high	82.4	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.4	169.6	0	0	0	0	0	109.5	V458 L475 F512 F518 Q525 L526 T527	V458-A489 HydrophobicContact CG1-CB 4.16Å; L475-A489 HydrophobicContact CD1-CB 4.27Å; L475-A489 HydrophobicContact CD2-CB 4.24Å; A489-F512 HydrophobicContact CB-CE1 4.28Å; A489-F512 HydrophobicContact CB-CZ 4.25Å; A489-F512 VanDerWaalsContact O-CZ 3.3Å; A489-F512 WeakPolarHBondContact O-CZ 3.39Å; A489-F518 HydrophobicContact CB-CE1 4.11Å; A489-Q525 PolarHBondContact N-O 3.1Å; A489-L526 HydrophobicContact CB-CD2 4.11Å; A489-T527 PolarHBondContact O-N 3Å
490	V	92.2	Very high	82.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.28	C	S	.	.			trans	-135.5	148.9	-175.9	-57.2	0	0	0	0	112	V275 V454 L455 T456 M531	V275-V490 HydrophobicContact CG2-CG2 4.17Å; V454-V490 HydrophobicContact CG1-CB 4.36Å; V454-V490 HydrophobicContact CG1-CG1 3.99Å; V454-V490 HydrophobicContact CG1-CG2 3.41Å; V454-V490 VanDerWaalsContact CG1-CG2 3.41Å; L455-V490 PolarHBondContact O-N 3.45Å; T456-V490 WeakPolarHBondContact CA-O 3.37Å; T456-V490 HydrophobicContact CG2-CG2 3.81Å; V490-M531 HydrophobicContact CG1-SD 4.12Å
491	V	91	Very high	82.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.277	C	S	.	.			trans	-118.5	106	172.8	-178.7	0	0	0	0	107.9	V458 D459 Y507 E508 F511 F512	V458-V491 HydrophobicContact CG2-CG2 3.53Å; D459-V491 HydrophobicContact CB-CG1 4.46Å; D459-V491 HydrophobicContact CB-CG2 4.44Å; V491-Y507 HydrophobicContact CG1-CD1 3.72Å; V491-Y507 HydrophobicContact CG1-CE1 3.65Å; V491-E508 HydrophobicContact CB-CB 4.24Å; V491-E508 HydrophobicContact CB-CG 4.14Å; V491-E508 PolarHBondContact N-OE1 2.89Å; V491-E508 VanDerWaalsContact N-OE1 3.12Å; V491-F511 HydrophobicContact CG2-CD1 3.68Å; V491-F511 HydrophobicContact CG2-CE1 4.08Å; V491-F511 HydrophobicContact CG2-CG 4.32Å; V491-F512 HydrophobicContact CG2-CE2 4.21Å; V491-F512 HydrophobicContact CG2-CZ 4.07Å
492	A	84.1	Confident	82.2	Confident	11 Å²	11	45.4 Å²	45.4	9%	0.091	27%	0.268	C	S	.	.			trans	-108.1	18.8	-171.3	0	0	0	0	0	113.9	V275 M278	V275-A492 HydrophobicContact CG2-CB 4.27Å; M278-A492 HydrophobicContact CG-CB 4.11Å
493	G	81.9	Confident	82.4	Confident	26 Å²	26	46.2 Å²	46.2	27%	0.268	28%	0.276	S	S	.	.			trans	167.7	159.5	174.5	0	0	0	0	0	112.9
494	K	73.8	Confident	82.4	Confident	73 Å²	73	39.6 Å²	39.6	32%	0.317	25%	0.247	S	C	.	.			trans	-104.4	15.7	-177.8	-42.2	-168.5	-159.8	-169.8	0	114.5	N496 A503 Y507	K494-N496 VanDerWaalsContact C-N 3.29Å; K494-N496 PolarHBondContact O-N 2.92Å; K494-A503 WeakPolarHBondContact CE-O 3.34Å; K494-A503 PolarHBondContact NZ-O 2.91Å; K494-Y507 HydrophobicContact CB-CE1 4.34Å; K494-Y507 HydrophobicContact CD-CD1 3.96Å; K494-Y507 HydrophobicContact CD-CD2 3.68Å; K494-Y507 HydrophobicContact CD-CE1 4.42Å; K494-Y507 HydrophobicContact CD-CE2 4.18Å; K494-Y507 HydrophobicContact CD-CG 3.54Å; K494-Y507 HydrophobicContact CG-CD1 3.59Å; K494-Y507 HydrophobicContact CG-CD2 4.21Å; K494-Y507 HydrophobicContact CG-CE1 3.9Å; K494-Y507 HydrophobicContact CG-CE2 4.49Å; K494-Y507 HydrophobicContact CG-CG 3.74Å
495	G	68.8	Low	82.3	Confident	75 Å²	75	41.6 Å²	41.6	77%	0.773	25%	0.253	S	S	*	.	S	Bend	trans	86.6	-22	-174.1	0	0	0	0	0	115.3
496	N	69.2	Low	82.3	Confident	112 Å²	112	43.6 Å²	43.6	60%	0.599	26%	0.26	S	S	*	.			trans	-83.5	139.5	173.4	-70.6	-14.1	0	0	0	111.7	K494	K494-N496 VanDerWaalsContact C-N 3.29Å; K494-N496 PolarHBondContact O-N 2.92Å
497	Q	65.3	Low	82.4	Confident	123 Å²	123	45.3 Å²	45.3	58%	0.575	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-22.1	-174.8	-65.5	-170.3	7.2	0	0	114.1	S289	S289-Q497 PolarHBondContact OG-NE2 3.4Å
498	G	67.2	Low	82.4	Confident	50 Å²	50	44.4 Å²	44.4	52%	0.515	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	12.5	-172.7	0	0	0	0	0	115.7
499	D	75	Confident	82.2	Confident	36 Å²	36	49.4 Å²	49.4	19%	0.193	28%	0.283	C	S	.	.			trans	-72.9	134.4	179.6	-66.4	-13.6	0	0	0	110.6	R283 I504	R283-D499 PolarHBondContact NE-O 3.36Å; R283-D499 VanDerWaalsContact NE-O 3.17Å; R283-D499 PolarHBondContact NH2-O 2.74Å; D499-I504 HydrophobicContact CB-CG1 4.19Å
500	S	79.7	Confident	82.1	Confident	36 Å²	36	55 Å²	55	25%	0.252	31%	0.309	S	S	.	.			trans	-64.7	160	174	79.6	0	0	0	0	111.6	E324 E502 A503 I504	E324-S500 WeakPolarHBondContact OE2-CB 3.39Å; S500-E502 VanDerWaalsContact C-N 3.31Å; S500-E502 PolarHBondContact O-N 3.32Å; S500-E502 PolarHBondContact OG-OE2 3.27Å; S500-A503 PolarHBondContact O-N 3.38Å; S500-A503 PolarHBondContact OG-N 3.14Å; S500-I504 WeakPolarHBondContact O-CG1 3.47Å; S500-I504 PolarHBondContact O-N 3.33Å
501	I	82.9	Confident	81.8	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-64.2	-37.4	-179.7	-64.2	-64.1	0	0	0	111.2	E277 M278 Q281 R283 I504 K505	E277-I501 HydrophobicContact CB-CD1 4.36Å; M278-I501 HydrophobicContact SD-CD1 3.96Å; M278-I501 HydrophobicContact SD-CG2 4.04Å; Q281-I501 HydrophobicContact CB-CG2 4.49Å; R283-I501 HydrophobicContact CG-CD1 4.01Å; R283-I501 HydrophobicContact CG-CG1 4.1Å; I501-I504 PolarHBondContact O-N 2.81Å; I501-K505 HydrophobicContact CG2-CD 4.38Å; I501-K505 WeakPolarHBondContact O-CG 3.35Å; I501-K505 PolarHBondContact O-N 3Å
502	E	84.1	Confident	81.7	Confident	103 Å²	103	57.1 Å²	57.1	48%	0.481	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-44.9	176.5	-61.7	75.1	-157.4	0	0	111.2	S500 I504 K505 E506	S500-E502 VanDerWaalsContact C-N 3.31Å; S500-E502 PolarHBondContact O-N 3.32Å; S500-E502 PolarHBondContact OG-OE2 3.27Å; E502-I504 PolarHBondContact O-N 2.78Å; E502-K505 PolarHBondContact O-N 3.16Å; E502-K505 VanDerWaalsContact O-N 3.12Å; E502-E506 WeakPolarHBondContact O-CG 3.35Å; E502-E506 PolarHBondContact O-N 3.31Å
503	A	87	Confident	81.7	Confident	26 Å²	26	59.3 Å²	59.3	22%	0.215	34%	0.336	C	S	.	.	H	α-helix	trans	-61.8	-32.9	179.1	0	0	0	0	0	112.3	K494 S500 Y507	K494-A503 WeakPolarHBondContact CE-O 3.34Å; K494-A503 PolarHBondContact NZ-O 2.91Å; S500-A503 PolarHBondContact O-N 3.38Å; S500-A503 PolarHBondContact OG-N 3.14Å; A503-Y507 PolarHBondContact O-N 3.41Å
504	I	87.2	Confident	81.8	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-72.9	-42.3	174.8	-63.3	166.4	0	0	0	111.1	M278 D499 S500 I501 E502 E506 Y507 E508	M278-I504 HydrophobicContact CE-CB 4.18Å; M278-I504 HydrophobicContact CE-CG2 3.7Å; M278-I504 HydrophobicContact SD-CB 3.92Å; M278-I504 HydrophobicContact SD-CD1 4.25Å; M278-I504 HydrophobicContact SD-CG2 3.62Å; D499-I504 HydrophobicContact CB-CG1 4.19Å; S500-I504 WeakPolarHBondContact O-CG1 3.47Å; S500-I504 PolarHBondContact O-N 3.33Å; I501-I504 PolarHBondContact O-N 2.81Å; E502-I504 PolarHBondContact O-N 2.78Å; I504-E506 VanDerWaalsContact C-N 3.35Å; I504-E506 PolarHBondContact O-N 3.16Å; I504-Y507 PolarHBondContact O-N 3.4Å; I504-E508 PolarHBondContact O-N 2.9Å
505	K	87.1	Confident	82.1	Confident	59 Å²	59	60.3 Å²	60.3	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-59.4	-46.2	176.3	-73.7	175.7	177	171.6	0	111.3	M278 Q281 I501 E502 Y507 E508 E509	M278-K505 HydrophobicContact CE-CG 3.58Å; Q281-K505 VanDerWaalsContact CD-NZ 3.29Å; Q281-K505 VanDerWaalsContact NE2-NZ 3.16Å; I501-K505 HydrophobicContact CG2-CD 4.38Å; I501-K505 WeakPolarHBondContact O-CG 3.35Å; I501-K505 PolarHBondContact O-N 3Å; E502-K505 PolarHBondContact O-N 3.16Å; E502-K505 VanDerWaalsContact O-N 3.12Å; K505-Y507 VanDerWaalsContact C-N 3.29Å; K505-Y507 PolarHBondContact O-N 3.46Å; K505-E508 WeakPolarHBondContact O-CB 3.21Å; K505-E508 PolarHBondContact O-N 3.33Å; K505-E509 WeakPolarHBondContact O-CG 3.24Å; K505-E509 PolarHBondContact O-N 2.88Å
506	E	89.4	Confident	82.1	Confident	121 Å²	121	65.3 Å²	65.3	57%	0.565	34%	0.339	S	S	*	.	H	α-helix	trans	-59.3	-41.7	176.9	-71.8	175.5	176	0	0	111.4	E502 I504 E509 E510	E502-E506 WeakPolarHBondContact O-CG 3.35Å; E502-E506 PolarHBondContact O-N 3.31Å; I504-E506 VanDerWaalsContact C-N 3.35Å; I504-E506 PolarHBondContact O-N 3.16Å; E506-E509 PolarHBondContact O-N 3.25Å; E506-E510 WeakPolarHBondContact O-CB 3.45Å; E506-E510 WeakPolarHBondContact O-CG 3.37Å; E506-E510 PolarHBondContact O-N 3.43Å
507	Y	90.2	Very high	82.1	Confident	52 Å²	52	62.4 Å²	62.4	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-69.4	-37.1	176.4	179.2	-103.9	0	0	0	114.2	D459 V491 K494 A503 I504 K505 E509 E510 F511	D459-Y507 PolarHBondContact OD2-OH 3.33Å; V491-Y507 HydrophobicContact CG1-CD1 3.72Å; V491-Y507 HydrophobicContact CG1-CE1 3.65Å; K494-Y507 HydrophobicContact CB-CE1 4.34Å; K494-Y507 HydrophobicContact CD-CD1 3.96Å; K494-Y507 HydrophobicContact CD-CD2 3.68Å; K494-Y507 HydrophobicContact CD-CE1 4.42Å; K494-Y507 HydrophobicContact CD-CE2 4.18Å; K494-Y507 HydrophobicContact CD-CG 3.54Å; K494-Y507 HydrophobicContact CG-CD1 3.59Å; K494-Y507 HydrophobicContact CG-CD2 4.21Å; K494-Y507 HydrophobicContact CG-CE1 3.9Å; K494-Y507 HydrophobicContact CG-CE2 4.49Å; K494-Y507 HydrophobicContact CG-CG 3.74Å; A503-Y507 PolarHBondContact O-N 3.41Å; I504-Y507 PolarHBondContact O-N 3.4Å; K505-Y507 VanDerWaalsContact C-N 3.29Å; K505-Y507 PolarHBondContact O-N 3.46Å; Y507-E509 VanDerWaalsContact C-N 3.3Å; Y507-E509 PolarHBondContact O-N 2.57Å; Y507-E510 PolarHBondContact O-N 3.44Å; Y507-F511 WeakPolarHBondContact O-CB 3.41Å; Y507-F511 PolarHBondContact O-N 3.02Å
508	E	90.6	Very high	82.4	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-46.9	172.5	-177.9	176.2	-127.9	0	0	110.1	V491 I504 K505 F511 F512 T527 T528	V491-E508 HydrophobicContact CB-CB 4.24Å; V491-E508 HydrophobicContact CB-CG 4.14Å; V491-E508 PolarHBondContact N-OE1 2.89Å; V491-E508 VanDerWaalsContact N-OE1 3.12Å; I504-E508 PolarHBondContact O-N 2.9Å; K505-E508 WeakPolarHBondContact O-CB 3.21Å; K505-E508 PolarHBondContact O-N 3.33Å; E508-F511 PolarHBondContact O-N 3.27Å; E508-F512 HydrophobicContact CG-CD2 3.65Å; E508-F512 HydrophobicContact CG-CE2 3.46Å; E508-F512 VanDerWaalsContact CG-CE2 3.46Å; E508-F512 WeakPolarHBondContact O-CD2 3.25Å; E508-F512 PolarHBondContact O-N 3.06Å; E508-T527 WeakPolarHBondContact OE1-CA 3.47Å; E508-T528 VanDerWaalsContact CD-N 3.33Å; E508-T528 PolarHBondContact OE1-N 2.83Å; E508-T528 PolarHBondContact OE1-OG1 2.96Å; E508-T528 PolarHBondContact OE2-N 3.46Å; E508-T528 PolarHBondContact OE2-OG1 3.48Å
509	E	87.6	Confident	82.5	Confident	125 Å²	125	62.8 Å²	62.8	58%	0.584	30%	0.304	S	S	*	.	H	α-helix	trans	-64.9	-45.6	178.3	-69.6	-178.7	-178.2	0	0	112.2	K505 E506 Y507 A513	K505-E509 WeakPolarHBondContact O-CG 3.24Å; K505-E509 PolarHBondContact O-N 2.88Å; E506-E509 PolarHBondContact O-N 3.25Å; Y507-E509 VanDerWaalsContact C-N 3.3Å; Y507-E509 PolarHBondContact O-N 2.57Å; E509-A513 VanDerWaalsContact O-CB 3.24Å; E509-A513 WeakPolarHBondContact O-CB 3.49Å; E509-A513 PolarHBondContact O-N 3.3Å
510	E	89.2	Confident	82.1	Confident	116 Å²	116	65 Å²	65	54%	0.542	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-42.7	176.3	-75.8	-179.1	173.2	0	0	112.3	E506 Y507 A513 N514	E506-E510 WeakPolarHBondContact O-CB 3.45Å; E506-E510 WeakPolarHBondContact O-CG 3.37Å; E506-E510 PolarHBondContact O-N 3.43Å; Y507-E510 PolarHBondContact O-N 3.44Å; E510-A513 PolarHBondContact O-N 3.5Å; E510-N514 VanDerWaalsContact O-CB 3.29Å; E510-N514 WeakPolarHBondContact O-CB 3.39Å; E510-N514 VanDerWaalsContact O-CG 3.29Å; E510-N514 PolarHBondContact O-N 3.29Å; E510-N514 PolarHBondContact O-ND2 3.47Å; E510-N514 VanDerWaalsContact O-ND2 3.08Å
511	F	87.8	Confident	81.7	Confident	30 Å²	30	64.5 Å²	64.5	13%	0.132	32%	0.322	C	S	.	.	H	α-helix	trans	-62.6	-51.4	178.8	174.5	-99.4	0	0	0	111.1	V458 D459 E462 V491 Y507 E508 A513 N514 S515 F518	V458-F511 HydrophobicContact CG2-CE1 3.82Å; V458-F511 HydrophobicContact CG2-CZ 4.5Å; D459-F511 VanDerWaalsContact CA-CZ 3.49Å; D459-F511 HydrophobicContact CB-CD2 3.97Å; D459-F511 HydrophobicContact CB-CE2 3.77Å; D459-F511 HydrophobicContact CB-CG 4.45Å; D459-F511 HydrophobicContact CB-CZ 4.07Å; E462-F511 HydrophobicContact CB-CE2 4.47Å; E462-F511 HydrophobicContact CB-CZ 4.35Å; E462-F511 WeakPolarHBondContact OE2-CE2 3.35Å; E462-F511 VanDerWaalsContact OE2-CZ 3.25Å; E462-F511 WeakPolarHBondContact OE2-CZ 3.19Å; V491-F511 HydrophobicContact CG2-CD1 3.68Å; V491-F511 HydrophobicContact CG2-CE1 4.08Å; V491-F511 HydrophobicContact CG2-CG 4.32Å; Y507-F511 WeakPolarHBondContact O-CB 3.41Å; Y507-F511 PolarHBondContact O-N 3.02Å; E508-F511 PolarHBondContact O-N 3.27Å; F511-A513 VanDerWaalsContact C-N 3.3Å; F511-A513 PolarHBondContact O-N 2.83Å; F511-N514 PolarHBondContact O-N 2.92Å; F511-S515 WeakPolarHBondContact O-CB 3.42Å; F511-S515 PolarHBondContact O-N 3.08Å; F511-F518 AromaticContact CE1-CD2 3.9Å; F511-F518 HydrophobicContact CE1-CD2 3.9Å; F511-F518 AromaticContact CE1-CE2 3.78Å; F511-F518 HydrophobicContact CE1-CE2 3.78Å; F511-F518 HydrophobicContact CZ-CD2 4.24Å; F511-F518 AromaticContact CZ-CE2 3.94Å; F511-F518 HydrophobicContact CZ-CE2 3.94Å
512	F	87	Confident	81.4	Confident	16 Å²	16	70.5 Å²	70.5	7%	0.07	35%	0.35	C	S	.	.	H	α-helix	trans	-68.4	-28.9	-179.9	-72.1	-55.9	0	0	0	112.9	V458 A489 V491 E508 F518 L526 T527	V458-F512 HydrophobicContact CG2-CE1 4.15Å; V458-F512 HydrophobicContact CG2-CZ 4.05Å; A489-F512 HydrophobicContact CB-CE1 4.28Å; A489-F512 HydrophobicContact CB-CZ 4.25Å; A489-F512 VanDerWaalsContact O-CZ 3.3Å; A489-F512 WeakPolarHBondContact O-CZ 3.39Å; V491-F512 HydrophobicContact CG2-CE2 4.21Å; V491-F512 HydrophobicContact CG2-CZ 4.07Å; E508-F512 HydrophobicContact CG-CD2 3.65Å; E508-F512 HydrophobicContact CG-CE2 3.46Å; E508-F512 VanDerWaalsContact CG-CE2 3.46Å; E508-F512 WeakPolarHBondContact O-CD2 3.25Å; E508-F512 PolarHBondContact O-N 3.06Å; F512-F518 HydrophobicContact CD1-CB 4Å; F512-F518 HydrophobicContact CD1-CD2 4.08Å; F512-F518 AromaticContact CD1-CG 3.98Å; F512-F518 HydrophobicContact CD1-CG 3.98Å; F512-F518 HydrophobicContact CE1-CD1 4.34Å; F512-F518 HydrophobicContact CE1-CD2 4.09Å; F512-F518 HydrophobicContact CE1-CE2 4.44Å; F512-F518 HydrophobicContact CE1-CG 4.06Å; F512-L526 HydrophobicContact CD1-CB 4.34Å; F512-L526 HydrophobicContact CD1-CD1 4.23Å; F512-L526 HydrophobicContact CD1-CD2 4.07Å; F512-L526 HydrophobicContact CD1-CG 4.44Å; F512-L526 HydrophobicContact CE1-CB 4.49Å; F512-L526 HydrophobicContact CE1-CD2 3.9Å; F512-L526 HydrophobicContact CG-CB 4.38Å; F512-T527 HydrophobicContact CD2-CG2 4.04Å; F512-T527 HydrophobicContact CE2-CG2 4.47Å
513	A	85	Confident	81.2	Confident	56 Å²	56	70.1 Å²	70.1	46%	0.463	36%	0.359	S	S	.	.	H	α-helix	trans	-69.7	-36.4	173.3	0	0	0	0	0	112.8	E509 E510 F511 R519	E509-A513 VanDerWaalsContact O-CB 3.24Å; E509-A513 WeakPolarHBondContact O-CB 3.49Å; E509-A513 PolarHBondContact O-N 3.3Å; E510-A513 PolarHBondContact O-N 3.5Å; F511-A513 VanDerWaalsContact C-N 3.3Å; F511-A513 PolarHBondContact O-N 2.83Å; A513-R519 PolarHBondContact O-NE 3.45Å; A513-R519 PolarHBondContact O-NH2 2.95Å
514	N	85.1	Confident	81	Confident	116 Å²	116	71.9 Å²	71.9	62%	0.62	37%	0.369	S	S	*	.	H	α-helix	trans	-91.8	-24.7	-175.1	-70.5	-33.7	0	0	0	114.3	E510 F511 K516	E510-N514 VanDerWaalsContact O-CB 3.29Å; E510-N514 WeakPolarHBondContact O-CB 3.39Å; E510-N514 VanDerWaalsContact O-CG 3.29Å; E510-N514 PolarHBondContact O-N 3.29Å; E510-N514 PolarHBondContact O-ND2 3.47Å; E510-N514 VanDerWaalsContact O-ND2 3.08Å; F511-N514 PolarHBondContact O-N 2.92Å; N514-K516 PolarHBondContact O-N 3.38Å
515	S	78.5	Confident	80.9	Confident	4 Å²	4	73.9 Å²	73.9	3%	0.028	38%	0.379	C	S	.	.			trans	-63.3	134.3	-176.6	178.6	0	0	0	0	112.3	E462 F511 L517 F518 R519	E462-S515 PolarHBondContact OE1-OG 2.89Å; E462-S515 WeakPolarHBondContact OE2-CB 3.24Å; E462-S515 PolarHBondContact OE2-OG 3.35Å; F511-S515 WeakPolarHBondContact O-CB 3.42Å; F511-S515 PolarHBondContact O-N 3.08Å; S515-L517 VanDerWaalsContact C-N 3.31Å; S515-L517 PolarHBondContact OG-N 2.71Å; S515-F518 VanDerWaalsContact OG-CD2 3.24Å; S515-F518 WeakPolarHBondContact OG-CD2 3.44Å; S515-R519 WeakPolarHBondContact O-CG 3.12Å
516	K	69.8	Low	81	Confident	180 Å²	180	71.8 Å²	71.8	78%	0.783	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-25	176.2	-66.4	176.9	-176.4	171.2	0	111.9	N514	N514-K516 PolarHBondContact O-N 3.38Å
517	L	68.8	Low	81	Confident	52 Å²	52	67.4 Å²	67.4	27%	0.272	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-43.5	-173.8	-55.4	-175.4	0	0	0	111.4	E462 P468 S515	E462-L517 HydrophobicContact CB-CD1 4.49Å; E462-L517 HydrophobicContact CG-CD1 4.06Å; P468-L517 HydrophobicContact CB-CD1 3.64Å; P468-L517 HydrophobicContact CB-CD2 3.22Å; P468-L517 HydrophobicContact CB-CG 3.99Å; P468-L517 HydrophobicContact CG-CD2 4.04Å; S515-L517 VanDerWaalsContact C-N 3.31Å; S515-L517 PolarHBondContact OG-N 2.71Å
518	F	71.5	Confident	81	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.018	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-85.5	-16.8	-173.5	-62.1	-71	0	0	0	113.9	V458 V471 L475 A489 F511 F512 S515 A520 L521 L526	V458-F518 HydrophobicContact CB-CE2 4.21Å; V458-F518 HydrophobicContact CB-CZ 3.87Å; V458-F518 HydrophobicContact CG1-CZ 4.24Å; V458-F518 HydrophobicContact CG2-CE2 4.43Å; V458-F518 HydrophobicContact CG2-CZ 4.33Å; V471-F518 HydrophobicContact CG1-CE1 3.87Å; V471-F518 HydrophobicContact CG1-CZ 3.81Å; L475-F518 HydrophobicContact CD1-CD1 4.45Å; L475-F518 HydrophobicContact CD1-CE1 3.98Å; A489-F518 HydrophobicContact CB-CE1 4.11Å; F511-F518 AromaticContact CE1-CD2 3.9Å; F511-F518 HydrophobicContact CE1-CD2 3.9Å; F511-F518 AromaticContact CE1-CE2 3.78Å; F511-F518 HydrophobicContact CE1-CE2 3.78Å; F511-F518 HydrophobicContact CZ-CD2 4.24Å; F511-F518 AromaticContact CZ-CE2 3.94Å; F511-F518 HydrophobicContact CZ-CE2 3.94Å; F512-F518 HydrophobicContact CD1-CB 4Å; F512-F518 HydrophobicContact CD1-CD2 4.08Å; F512-F518 AromaticContact CD1-CG 3.98Å; F512-F518 HydrophobicContact CD1-CG 3.98Å; F512-F518 HydrophobicContact CE1-CD1 4.34Å; F512-F518 HydrophobicContact CE1-CD2 4.09Å; F512-F518 HydrophobicContact CE1-CE2 4.44Å; F512-F518 HydrophobicContact CE1-CG 4.06Å; S515-F518 VanDerWaalsContact OG-CD2 3.24Å; S515-F518 WeakPolarHBondContact OG-CD2 3.44Å; F518-A520 PolarHBondContact O-N 2.82Å; F518-A520 VanDerWaalsContact O-N 3.15Å; F518-L521 HydrophobicContact CD1-CD1 3.49Å; F518-L521 VanDerWaalsContact CD1-CD1 3.49Å; F518-L521 HydrophobicContact CE1-CD1 3.98Å; F518-L521 HydrophobicContact CG-CD1 4.48Å; F518-L521 PolarHBondContact O-N 3.29Å; F518-L526 HydrophobicContact CB-CD1 4Å; F518-L526 HydrophobicContact CB-CD2 4.14Å; F518-L526 HydrophobicContact CD1-CD2 3.71Å; F518-L526 HydrophobicContact CG-CD2 4.2Å
519	R	69.2	Low	80.9	Confident	176 Å²	176	73.4 Å²	73.4	66%	0.664	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-58.9	-24.5	170.8	-84.3	-178.5	-173.1	177.1	4.6	114.2	A513 S515	A513-R519 PolarHBondContact O-NE 3.45Å; A513-R519 PolarHBondContact O-NH2 2.95Å; S515-R519 WeakPolarHBondContact O-CG 3.12Å
520	A	66.6	Low	81	Confident	82 Å²	82	70 Å²	70	68%	0.678	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-89.6	-6.9	178.8	0	0	0	0	0	113.7	F518	F518-A520 PolarHBondContact O-N 2.82Å; F518-A520 VanDerWaalsContact O-N 3.15Å
521	L	71.9	Confident	81.2	Confident	27 Å²	27	64.6 Å²	64.6	14%	0.141	34%	0.335	C	S	.	.	S	Bend	trans	-97.1	160.1	-178.5	-75.8	161	0	0	0	111	K472 L475 F518 S523	K472-L521 HydrophobicContact CG-CD2 4.42Å; L475-L521 HydrophobicContact CD1-CD1 3.5Å; L475-L521 HydrophobicContact CD1-CD2 4.4Å; F518-L521 HydrophobicContact CD1-CD1 3.49Å; F518-L521 VanDerWaalsContact CD1-CD1 3.49Å; F518-L521 HydrophobicContact CE1-CD1 3.98Å; F518-L521 HydrophobicContact CG-CD1 4.48Å; F518-L521 PolarHBondContact O-N 3.29Å; L521-S523 PolarHBondContact O-N 3.39Å
522	E	76.6	Confident	81.3	Confident	126 Å²	126	63.9 Å²	63.9	59%	0.589	33%	0.334	S	S	*	.			trans	-64.4	125.9	177.8	-65.8	-174.9	173.8	0	0	110.2	S524 Q525	E522-S524 WeakPolarHBondContact CB-OG 3.35Å; E522-S524 PolarHBondContact O-N 3.47Å; E522-S524 VanDerWaalsContact O-N 3.09Å; E522-Q525 HydrophobicContact CB-CG 4.32Å; E522-Q525 PolarHBondContact O-N 3.43Å
523	S	78.6	Confident	81.4	Confident	96 Å²	96	67 Å²	67	67%	0.671	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-60.3	-22.4	179.8	54.4	0	0	0	0	113.3	L521 Q525 L526 N530	L521-S523 PolarHBondContact O-N 3.39Å; S523-Q525 VanDerWaalsContact C-N 3.26Å; S523-Q525 PolarHBondContact O-N 2.92Å; S523-L526 PolarHBondContact O-N 3.49Å; S523-N530 PolarHBondContact O-ND2 3.4Å
524	S	83.7	Confident	81.7	Confident	62 Å²	62	66 Å²	66	43%	0.434	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-64.5	-26.9	174.2	55.1	0	0	0	0	113.4	F488 E522 N530	F488-S524 WeakPolarHBondContact CE1-O 3.45Å; E522-S524 WeakPolarHBondContact CB-OG 3.35Å; E522-S524 PolarHBondContact O-N 3.47Å; E522-S524 VanDerWaalsContact O-N 3.09Å; S524-N530 WeakPolarHBondContact O-CB 3.48Å
525	Q	85.4	Confident	82.1	Confident	44 Å²	44	60.7 Å²	60.7	21%	0.206	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-89.2	-6.7	-179.6	-64	-178.2	-17	0	0	112.8	F488 A489 E522 S523	F488-Q525 CarbonylContact C-O 3.57Å; F488-Q525 VanDerWaalsContact CA-O 3.25Å; F488-Q525 WeakPolarHBondContact CA-O 3.18Å; A489-Q525 PolarHBondContact N-O 3.1Å; E522-Q525 HydrophobicContact CB-CG 4.32Å; E522-Q525 PolarHBondContact O-N 3.43Å; S523-Q525 VanDerWaalsContact C-N 3.26Å; S523-Q525 PolarHBondContact O-N 2.92Å
526	L	87.8	Confident	82.6	Confident	15 Å²	15	61.1 Å²	61.1	8%	0.079	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-101.6	156.1	-177.8	-53.5	178.5	0	0	0	110.3	A489 F512 F518 S523 N530	A489-L526 HydrophobicContact CB-CD2 4.11Å; F512-L526 HydrophobicContact CD1-CB 4.34Å; F512-L526 HydrophobicContact CD1-CD1 4.23Å; F512-L526 HydrophobicContact CD1-CD2 4.07Å; F512-L526 HydrophobicContact CD1-CG 4.44Å; F512-L526 HydrophobicContact CE1-CB 4.49Å; F512-L526 HydrophobicContact CE1-CD2 3.9Å; F512-L526 HydrophobicContact CG-CB 4.38Å; F518-L526 HydrophobicContact CB-CD1 4Å; F518-L526 HydrophobicContact CB-CD2 4.14Å; F518-L526 HydrophobicContact CD1-CD2 3.71Å; F518-L526 HydrophobicContact CG-CD2 4.2Å; S523-L526 PolarHBondContact O-N 3.49Å; L526-N530 WeakPolarHBondContact O-CB 3.26Å; L526-N530 PolarHBondContact O-ND2 3.32Å
527	T	89.2	Confident	83.6	Confident	28 Å²	28	57.5 Å²	57.5	17%	0.172	31%	0.306	C	S	.	.	S	Bend	trans	76.3	147.7	177.3	78.8	0	0	0	0	115.7	A489 E508 F512 R529 N530 M531	A489-T527 PolarHBondContact O-N 3Å; E508-T527 WeakPolarHBondContact OE1-CA 3.47Å; F512-T527 HydrophobicContact CD2-CG2 4.04Å; F512-T527 HydrophobicContact CE2-CG2 4.47Å; T527-R529 VanDerWaalsContact C-N 3.26Å; T527-R529 PolarHBondContact O-N 2.92Å; T527-N530 PolarHBondContact OG1-N 3.5Å; T527-N530 PolarHBondContact OG1-ND2 3.46Å; T527-M531 PolarHBondContact O-N 3.09Å
528	T	90.5	Very high	84.6	Confident	6 Å²	6	59.1 Å²	59.1	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-66.2	-31.6	175.8	-56.4	0	0	0	0	111.5	M278 V279 E508 M531 S532	M278-T528 HydrophobicContact CB-CG2 3.81Å; V279-T528 HydrophobicContact CG2-CG2 4.22Å; E508-T528 VanDerWaalsContact CD-N 3.33Å; E508-T528 PolarHBondContact OE1-N 2.83Å; E508-T528 PolarHBondContact OE1-OG1 2.96Å; E508-T528 PolarHBondContact OE2-N 3.46Å; E508-T528 PolarHBondContact OE2-OG1 3.48Å; T528-M531 HydrophobicContact CG2-CE 3.95Å; T528-M531 PolarHBondContact O-N 3.17Å; T528-S532 WeakPolarHBondContact O-CB 3.47Å; T528-S532 PolarHBondContact O-N 3.14Å
529	R	88.7	Confident	85.6	Confident	180 Å²	180	58.9 Å²	58.9	68%	0.679	31%	0.308	S	S	*	.	H	α-helix	trans	-62.1	-50.5	178.1	-176.6	179.8	177.3	178.6	-0.5	111.9	T527 M531 S532 L533	T527-R529 VanDerWaalsContact C-N 3.26Å; T527-R529 PolarHBondContact O-N 2.92Å; R529-M531 VanDerWaalsContact C-N 3.34Å; R529-M531 PolarHBondContact O-N 3.28Å; R529-S532 PolarHBondContact O-N 3.12Å; R529-S532 PolarHBondContact O-OG 3.26Å; R529-L533 HydrophobicContact CG-CD1 4.49Å; R529-L533 PolarHBondContact O-N 3.43Å; R529-L533 VanDerWaalsContact O-N 3.11Å
530	N	91.1	Very high	86.5	Confident	55 Å²	55	54.1 Å²	54.1	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-40.4	-179.4	-69.2	-22.7	0	0	0	111.7	S523 S524 L526 T527 L533 A534	S523-N530 PolarHBondContact O-ND2 3.4Å; S524-N530 WeakPolarHBondContact O-CB 3.48Å; L526-N530 WeakPolarHBondContact O-CB 3.26Å; L526-N530 PolarHBondContact O-ND2 3.32Å; T527-N530 PolarHBondContact OG1-N 3.5Å; T527-N530 PolarHBondContact OG1-ND2 3.46Å; N530-L533 PolarHBondContact O-N 3.03Å; N530-A534 WeakPolarHBondContact O-CB 3.39Å; N530-A534 PolarHBondContact O-N 2.87Å
531	M	91.6	Very high	87.6	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-48	172.5	-179.8	-151.5	69.9	0	0	111.3	V275 V279 V454 F488 V490 T527 T528 R529 L533 A534 V535	V275-M531 HydrophobicContact CG1-CE 3.76Å; V275-M531 HydrophobicContact CG1-SD 4.15Å; V279-M531 HydrophobicContact CG2-CE 3.73Å; V454-M531 HydrophobicContact CB-SD 4.29Å; V454-M531 HydrophobicContact CG1-SD 3.77Å; V454-M531 HydrophobicContact CG2-CG 4.11Å; V454-M531 HydrophobicContact CG2-SD 3.46Å; V454-M531 WeakPolarHBondContact CG2-SD 3.37Å; F488-M531 HydrophobicContact CB-CB 4.09Å; F488-M531 HydrophobicContact CB-CG 4.11Å; F488-M531 HydrophobicContact CD1-CB 3.85Å; F488-M531 HydrophobicContact CD1-CG 4.44Å; F488-M531 HydrophobicContact CD2-CB 4.31Å; F488-M531 HydrophobicContact CD2-CG 4.01Å; F488-M531 HydrophobicContact CE1-CB 4.38Å; F488-M531 HydrophobicContact CG-CB 3.81Å; F488-M531 HydrophobicContact CG-CG 3.93Å; V490-M531 HydrophobicContact CG1-SD 4.12Å; T527-M531 PolarHBondContact O-N 3.09Å; T528-M531 HydrophobicContact CG2-CE 3.95Å; T528-M531 PolarHBondContact O-N 3.17Å; R529-M531 VanDerWaalsContact C-N 3.34Å; R529-M531 PolarHBondContact O-N 3.28Å; M531-L533 VanDerWaalsContact C-N 3.31Å; M531-L533 PolarHBondContact O-N 3.26Å; M531-A534 PolarHBondContact O-N 3.22Å; M531-V535 HydrophobicContact CG-CG2 4.34Å; M531-V535 WeakPolarHBondContact O-CB 3.22Å; M531-V535 VanDerWaalsContact O-CG2 3.26Å; M531-V535 WeakPolarHBondContact O-CG2 3.46Å; M531-V535 PolarHBondContact O-N 3Å
532	S	90.9	Very high	88.3	Confident	14 Å²	14	52.8 Å²	52.8	10%	0.098	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-37.9	-178.5	75.8	0	0	0	0	113	M383 T528 R529 S536	M383-S532 WeakPolarHBondContact CE-O 3.45Å; T528-S532 WeakPolarHBondContact O-CB 3.47Å; T528-S532 PolarHBondContact O-N 3.14Å; R529-S532 PolarHBondContact O-N 3.12Å; R529-S532 PolarHBondContact O-OG 3.26Å; S532-S536 VanDerWaalsContact O-CB 3.31Å; S532-S536 WeakPolarHBondContact O-CB 3.32Å; S532-S536 PolarHBondContact O-N 3.26Å
533	L	89.7	Confident	88.9	Confident	83 Å²	83	47.1 Å²	47.1	44%	0.435	25%	0.248	S	C	.	.	H	α-helix	trans	-67.9	-47	175.5	-69.3	172.6	0	0	0	111.2	R529 N530 M531 V535 S536 D537	R529-L533 HydrophobicContact CG-CD1 4.49Å; R529-L533 PolarHBondContact O-N 3.43Å; R529-L533 VanDerWaalsContact O-N 3.11Å; N530-L533 PolarHBondContact O-N 3.03Å; M531-L533 VanDerWaalsContact C-N 3.31Å; M531-L533 PolarHBondContact O-N 3.26Å; L533-V535 VanDerWaalsContact C-N 3.34Å; L533-V535 PolarHBondContact O-N 3.26Å; L533-S536 WeakPolarHBondContact O-CB 3.3Å; L533-S536 PolarHBondContact O-N 3.47Å; L533-D537 PolarHBondContact O-N 3.44Å
534	A	91	Very high	89.2	Confident	35 Å²	35	49.6 Å²	49.6	29%	0.289	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-40.3	178.6	0	0	0	0	0	112.6	F488 N530 M531 R538	F488-A534 HydrophobicContact CE1-CB 4.26Å; F488-A534 HydrophobicContact CE2-CB 4.27Å; F488-A534 HydrophobicContact CZ-CB 3.54Å; N530-A534 WeakPolarHBondContact O-CB 3.39Å; N530-A534 PolarHBondContact O-N 2.87Å; M531-A534 PolarHBondContact O-N 3.22Å; A534-R538 WeakPolarHBondContact O-CB 3.49Å; A534-R538 PolarHBondContact O-N 3.48Å; A534-R538 VanDerWaalsContact O-N 3.07Å
535	V	92.2	Very high	89.3	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-65	-44.6	175.1	172.9	0	0	0	0	110.6	V262 M383 L423 I452 M531 L533 R538 F539	V262-V535 HydrophobicContact CB-CG1 4.48Å; V262-V535 HydrophobicContact CG1-CG1 3.83Å; V262-V535 HydrophobicContact CG2-CG1 3.86Å; M383-V535 HydrophobicContact CE-CG1 4.37Å; M383-V535 HydrophobicContact SD-CG1 4.01Å; L423-V535 HydrophobicContact CD1-CG2 3.99Å; I452-V535 HydrophobicContact CD1-CG2 3.75Å; M531-V535 HydrophobicContact CG-CG2 4.34Å; M531-V535 WeakPolarHBondContact O-CB 3.22Å; M531-V535 VanDerWaalsContact O-CG2 3.26Å; M531-V535 WeakPolarHBondContact O-CG2 3.46Å; M531-V535 PolarHBondContact O-N 3Å; L533-V535 VanDerWaalsContact C-N 3.34Å; L533-V535 PolarHBondContact O-N 3.26Å; V535-R538 PolarHBondContact O-N 3.45Å; V535-F539 VanDerWaalsContact O-CB 3.23Å; V535-F539 WeakPolarHBondContact O-CB 3.45Å; V535-F539 PolarHBondContact O-N 3.21Å
536	S	90.5	Very high	89.2	Confident	13 Å²	13	50.1 Å²	50.1	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-59.6	-49.4	176.9	-178.2	0	0	0	0	112	S532 L533 R538 F539 W540	S532-S536 VanDerWaalsContact O-CB 3.31Å; S532-S536 WeakPolarHBondContact O-CB 3.32Å; S532-S536 PolarHBondContact O-N 3.26Å; L533-S536 WeakPolarHBondContact O-CB 3.3Å; L533-S536 PolarHBondContact O-N 3.47Å; S536-R538 VanDerWaalsContact C-N 3.34Å; S536-R538 PolarHBondContact O-N 3.02Å; S536-F539 WeakPolarHBondContact O-CB 3.44Å; S536-F539 PolarHBondContact O-N 3.48Å; S536-W540 VanDerWaalsContact O-CD1 3.24Å; S536-W540 PolarHBondContact O-N 3.02Å
537	D	90.5	Very high	89	Confident	105 Å²	105	52.3 Å²	52.3	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-63.9	-41.3	-178.8	-72.1	-13	0	0	0	111.6	L533 W540 T541	L533-D537 PolarHBondContact O-N 3.44Å; D537-W540 PolarHBondContact O-N 2.88Å; D537-T541 WeakPolarHBondContact O-CB 3.44Å; D537-T541 PolarHBondContact O-N 2.96Å; D537-T541 PolarHBondContact O-OG1 3Å
538	R	90.3	Very high	88.7	Confident	85 Å²	85	56.8 Å²	56.8	32%	0.321	28%	0.275	S	S	.	.	H	α-helix	trans	-65.6	-41.3	176	-172.7	58	173.8	176	-1.1	111.7	I421 K449 I485 A534 V535 S536 T541 M542	I421-R538 HydrophobicContact CD1-CB 4.18Å; I421-R538 HydrophobicContact CD1-CG 3.83Å; K449-R538 PolarHBondContact O-NH2 3.1Å; I485-R538 HydrophobicContact CD1-CG 4.21Å; A534-R538 WeakPolarHBondContact O-CB 3.49Å; A534-R538 PolarHBondContact O-N 3.48Å; A534-R538 VanDerWaalsContact O-N 3.07Å; V535-R538 PolarHBondContact O-N 3.45Å; S536-R538 VanDerWaalsContact C-N 3.34Å; S536-R538 PolarHBondContact O-N 3.02Å; R538-T541 PolarHBondContact O-N 2.91Å; R538-M542 PolarHBondContact O-N 3.22Å; R538-M542 VanDerWaalsContact O-N 3.09Å
539	F	91	Very high	88.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.1	-53.5	175	172.2	-99.7	0	0	0	111	I236 Y239 P260 V262 M383 V384 I421 V535 S536 T541 M542 V543	I236-F539 HydrophobicContact CD1-CE1 4.32Å; Y239-F539 HydrophobicContact CD1-CZ 4.16Å; Y239-F539 HydrophobicContact CE1-CE2 4.33Å; Y239-F539 AromaticContact CE1-CZ 3.69Å; Y239-F539 HydrophobicContact CE1-CZ 3.69Å; P260-F539 HydrophobicContact CB-CD2 4.34Å; P260-F539 HydrophobicContact CB-CE2 4.28Å; P260-F539 WeakPolarHBondContact O-CE2 3.35Å; V262-F539 HydrophobicContact CG2-CB 4.28Å; V262-F539 HydrophobicContact CG2-CD2 3.88Å; V262-F539 HydrophobicContact CG2-CG 4.34Å; M383-F539 HydrophobicContact CB-CD1 4.15Å; M383-F539 HydrophobicContact CB-CE1 4.43Å; M383-F539 HydrophobicContact CB-CG 4.42Å; V384-F539 HydrophobicContact CB-CZ 4.36Å; V384-F539 HydrophobicContact CG2-CZ 4.28Å; I421-F539 VanDerWaalsContact CD1-CA 3.43Å; I421-F539 HydrophobicContact CD1-CB 3.95Å; V535-F539 VanDerWaalsContact O-CB 3.23Å; V535-F539 WeakPolarHBondContact O-CB 3.45Å; V535-F539 PolarHBondContact O-N 3.21Å; S536-F539 WeakPolarHBondContact O-CB 3.44Å; S536-F539 PolarHBondContact O-N 3.48Å; F539-T541 VanDerWaalsContact C-N 3.33Å; F539-T541 PolarHBondContact O-N 3.41Å; F539-M542 PolarHBondContact O-N 2.89Å; F539-M542 VanDerWaalsContact O-N 3.17Å; F539-V543 HydrophobicContact CD1-CG2 4.22Å; F539-V543 HydrophobicContact CD2-CG2 4.25Å; F539-V543 HydrophobicContact CE1-CG2 3.88Å; F539-V543 HydrophobicContact CE2-CG2 3.92Å; F539-V543 HydrophobicContact CG-CG2 4.39Å; F539-V543 HydrophobicContact CZ-CG2 3.73Å; F539-V543 VanDerWaalsContact O-CG2 3.29Å; F539-V543 WeakPolarHBondContact O-CG2 3.33Å; F539-V543 PolarHBondContact O-N 3.03Å
540	W	88.9	Confident	88	Confident	75 Å²	75	55.7 Å²	55.7	28%	0.284	28%	0.277	S	S	.	.	H	α-helix	trans	-64.4	-35	-179.6	-79.7	105.4	0	0	0	113.7	L235 I236 R382 S536 D537 V543 K544	L235-W540 HydrophobicContact CB-CH2 4.27Å; I236-W540 HydrophobicContact CB-CZ2 4.37Å; I236-W540 HydrophobicContact CD1-CH2 4.49Å; I236-W540 HydrophobicContact CD1-CZ2 4.17Å; R382-W540 HydrophobicContact CB-CZ2 3.9Å; R382-W540 PolarHBondContact O-NE1 2.99Å; S536-W540 VanDerWaalsContact O-CD1 3.24Å; S536-W540 PolarHBondContact O-N 3.02Å; D537-W540 PolarHBondContact O-N 2.88Å; W540-V543 HydrophobicContact CE3-CB 4.48Å; W540-V543 HydrophobicContact CE3-CG1 4.34Å; W540-V543 HydrophobicContact CZ3-CG1 4.35Å; W540-V543 PolarHBondContact O-N 3.25Å; W540-K544 WeakPolarHBondContact O-CB 3.42Å; W540-K544 PolarHBondContact O-N 2.92Å
541	T	89.4	Confident	87.5	Confident	65 Å²	65	54.9 Å²	54.9	40%	0.399	28%	0.278	S	S	.	.	H	α-helix	trans	-60.2	-47.4	173.8	-57.2	0	0	0	0	110.7	D537 R538 F539 K544 E545	D537-T541 WeakPolarHBondContact O-CB 3.44Å; D537-T541 PolarHBondContact O-N 2.96Å; D537-T541 PolarHBondContact O-OG1 3Å; R538-T541 PolarHBondContact O-N 2.91Å; F539-T541 VanDerWaalsContact C-N 3.33Å; F539-T541 PolarHBondContact O-N 3.41Å; T541-K544 PolarHBondContact O-N 3.29Å; T541-E545 WeakPolarHBondContact O-CG 3.25Å; T541-E545 PolarHBondContact O-N 2.92Å
542	M	87.3	Confident	87.2	Confident	16 Å²	16	59.2 Å²	59.2	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-70.4	-35	-179.9	-160.5	175.8	-79.5	0	0	112.4	P260 N419 I421 R450 R538 F539 E545 S546	P260-M542 HydrophobicContact CB-CB 4.32Å; P260-M542 HydrophobicContact CB-CG 4.24Å; P260-M542 HydrophobicContact CB-SD 4.3Å; P260-M542 HydrophobicContact CG-CB 4.01Å; P260-M542 HydrophobicContact CG-CG 3.75Å; P260-M542 HydrophobicContact CG-SD 4.31Å; N419-M542 VanDerWaalsContact C-SD 3.54Å; N419-M542 HydrophobicContact CB-CG 4.47Å; N419-M542 HydrophobicContact CB-SD 4.13Å; I421-M542 HydrophobicContact CG1-CE 4.08Å; I421-M542 HydrophobicContact CG1-SD 4.01Å; R450-M542 HydrophobicContact CB-CE 4.32Å; R538-M542 PolarHBondContact O-N 3.22Å; R538-M542 VanDerWaalsContact O-N 3.09Å; F539-M542 PolarHBondContact O-N 2.89Å; F539-M542 VanDerWaalsContact O-N 3.17Å; M542-E545 PolarHBondContact O-N 3.34Å; M542-S546 WeakPolarHBondContact O-CB 3.42Å; M542-S546 PolarHBondContact O-N 3.28Å; M542-S546 PolarHBondContact O-OG 3.08Å
543	V	87.6	Confident	86.8	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-61.8	-45.6	173.8	170.2	0	0	0	0	110.1	Y239 P260 F539 W540 E545 S546 V547	Y239-V543 HydrophobicContact CD2-CG1 3.99Å; Y239-V543 HydrophobicContact CE1-CG2 4.24Å; Y239-V543 HydrophobicContact CE2-CG1 3.66Å; Y239-V543 HydrophobicContact CE2-CG2 4.19Å; P260-V543 HydrophobicContact CB-CG2 3.92Å; P260-V543 HydrophobicContact CG-CG2 3.94Å; F539-V543 HydrophobicContact CD1-CG2 4.22Å; F539-V543 HydrophobicContact CD2-CG2 4.25Å; F539-V543 HydrophobicContact CE1-CG2 3.88Å; F539-V543 HydrophobicContact CE2-CG2 3.92Å; F539-V543 HydrophobicContact CG-CG2 4.39Å; F539-V543 HydrophobicContact CZ-CG2 3.73Å; F539-V543 VanDerWaalsContact O-CG2 3.29Å; F539-V543 WeakPolarHBondContact O-CG2 3.33Å; F539-V543 PolarHBondContact O-N 3.03Å; W540-V543 HydrophobicContact CE3-CB 4.48Å; W540-V543 HydrophobicContact CE3-CG1 4.34Å; W540-V543 HydrophobicContact CZ3-CG1 4.35Å; W540-V543 PolarHBondContact O-N 3.25Å; V543-E545 PolarHBondContact O-N 3.12Å; V543-S546 WeakPolarHBondContact CA-OG 3.42Å; V543-S546 PolarHBondContact O-N 3.48Å; V543-S546 PolarHBondContact O-OG 3.43Å; V543-S546 VanDerWaalsContact O-OG 3.14Å; V543-V547 HydrophobicContact CG1-CG2 3.88Å; V543-V547 VanDerWaalsContact O-CB 3.3Å; V543-V547 WeakPolarHBondContact O-CB 3.34Å; V543-V547 WeakPolarHBondContact O-CG2 3.48Å; V543-V547 PolarHBondContact O-N 3.36Å
544	K	86.5	Confident	86.2	Confident	148 Å²	148	59.9 Å²	59.9	64%	0.643	31%	0.307	S	S	*	.	H	α-helix	trans	-60.2	-45.9	178.8	-170.9	-179.6	178.3	-174.9	0	112.3	W540 T541	W540-K544 WeakPolarHBondContact O-CB 3.42Å; W540-K544 PolarHBondContact O-N 2.92Å; T541-K544 PolarHBondContact O-N 3.29Å
545	E	84.6	Confident	85.9	Confident	115 Å²	115	64.5 Å²	64.5	54%	0.537	32%	0.32	S	S	.	.	H	α-helix	trans	-67.6	-39.6	180	-69.2	173.9	178.2	0	0	112.9	T541 M542 V543	T541-E545 WeakPolarHBondContact O-CG 3.25Å; T541-E545 PolarHBondContact O-N 2.92Å; M542-E545 PolarHBondContact O-N 3.34Å; V543-E545 PolarHBondContact O-N 3.12Å
546	S	84.4	Confident	85.6	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-77.6	-38.7	-177.3	56.5	0	0	0	0	113.4	P260 M542 V543 E548 Q549 Q550	P260-S546 WeakPolarHBondContact CD-OG 3.47Å; P260-S546 WeakPolarHBondContact CG-OG 3.23Å; M542-S546 WeakPolarHBondContact O-CB 3.42Å; M542-S546 PolarHBondContact O-N 3.28Å; M542-S546 PolarHBondContact O-OG 3.08Å; V543-S546 WeakPolarHBondContact CA-OG 3.42Å; V543-S546 PolarHBondContact O-N 3.48Å; V543-S546 PolarHBondContact O-OG 3.43Å; V543-S546 VanDerWaalsContact O-OG 3.14Å; S546-E548 VanDerWaalsContact C-N 3.33Å; S546-E548 PolarHBondContact O-N 3.4Å; S546-Q549 PolarHBondContact O-N 3.41Å; S546-Q550 WeakPolarHBondContact O-CG 3.16Å; S546-Q550 PolarHBondContact O-N 3.5Å
547	V	83.3	Confident	85.2	Confident	61 Å²	61	68.5 Å²	68.5	37%	0.37	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-37.7	-178.1	170.1	0	0	0	0	111.4	Y239 L259 V543 Q550 A551	Y239-V547 HydrophobicContact CE2-CG2 4.19Å; L259-V547 HydrophobicContact CD2-CG2 4.2Å; V543-V547 HydrophobicContact CG1-CG2 3.88Å; V543-V547 VanDerWaalsContact O-CB 3.3Å; V543-V547 WeakPolarHBondContact O-CB 3.34Å; V543-V547 WeakPolarHBondContact O-CG2 3.48Å; V543-V547 PolarHBondContact O-N 3.36Å; V547-Q550 PolarHBondContact O-N 3.12Å; V547-A551 WeakPolarHBondContact O-CB 3.23Å; V547-A551 PolarHBondContact O-N 3.09Å
548	E	83.1	Confident	84.8	Confident	122 Å²	122	68 Å²	68	57%	0.57	34%	0.336	S	S	*	.	H	α-helix	trans	-61.3	-48.7	175.1	-72.2	179.2	-177.6	0	0	111.4	S546 Q550 A551 D552	S546-E548 VanDerWaalsContact C-N 3.33Å; S546-E548 PolarHBondContact O-N 3.4Å; E548-Q550 PolarHBondContact O-N 3Å; E548-A551 PolarHBondContact O-N 3.35Å; E548-D552 PolarHBondContact O-N 3.2Å; E548-D552 VanDerWaalsContact O-N 3.12Å
549	Q	82.4	Confident	84.7	Confident	132 Å²	132	70.1 Å²	70.1	62%	0.617	35%	0.347	S	S	*	.	H	α-helix	trans	-63.2	-42.3	178.6	-66.3	177.3	6.3	0	0	112.4	S546 D552 S553	S546-Q549 PolarHBondContact O-N 3.41Å; Q549-D552 PolarHBondContact O-N 2.91Å; Q549-S553 PolarHBondContact O-N 2.98Å; Q549-S553 VanDerWaalsContact O-N 3.07Å
550	Q	80.9	Confident	84.5	Confident	30 Å²	30	75.1 Å²	75.1	14%	0.14	37%	0.374	C	S	.	.	H	α-helix	trans	-67.9	-42.3	177.9	-68.1	-55.6	-42.4	0	0	111.5	C258 L259 S546 V547 E548 D552 S553 F554	C258-Q550 HydrophobicContact CB-CG 4.34Å; L259-Q550 HydrophobicContact CD2-CG 4.5Å; S546-Q550 WeakPolarHBondContact O-CG 3.16Å; S546-Q550 PolarHBondContact O-N 3.5Å; V547-Q550 PolarHBondContact O-N 3.12Å; E548-Q550 PolarHBondContact O-N 3Å; Q550-D552 VanDerWaalsContact C-N 3.27Å; Q550-D552 PolarHBondContact O-N 2.93Å; Q550-S553 WeakPolarHBondContact O-CB 3.45Å; Q550-S553 PolarHBondContact O-N 2.91Å; Q550-S553 VanDerWaalsContact O-N 3.14Å; Q550-F554 HydrophobicContact CB-CD2 4.48Å; Q550-F554 HydrophobicContact CB-CE2 4.46Å; Q550-F554 WeakPolarHBondContact O-CD2 3.44Å; Q550-F554 PolarHBondContact O-N 3.21Å
551	A	81.7	Confident	84.2	Confident	38 Å²	38	72.4 Å²	72.4	31%	0.314	37%	0.365	S	S	.	.	H	α-helix	trans	-58.8	-40.1	177.2	0	0	0	0	0	111.8	V547 E548 F554 K555	V547-A551 WeakPolarHBondContact O-CB 3.23Å; V547-A551 PolarHBondContact O-N 3.09Å; E548-A551 PolarHBondContact O-N 3.35Å; A551-F554 PolarHBondContact O-N 3.49Å; A551-K555 VanDerWaalsContact O-CG 3.29Å; A551-K555 WeakPolarHBondContact O-CG 3.18Å; A551-K555 PolarHBondContact O-N 3.27Å
552	D	84.9	Confident	84.1	Confident	93 Å²	93	71.4 Å²	71.4	50%	0.497	36%	0.356	S	S	.	.	H	α-helix	trans	-70.7	-36.4	176.5	-71.1	-16.4	0	0	0	112.6	E548 Q549 Q550 K555 A556	E548-D552 PolarHBondContact O-N 3.2Å; E548-D552 VanDerWaalsContact O-N 3.12Å; Q549-D552 PolarHBondContact O-N 2.91Å; Q550-D552 VanDerWaalsContact C-N 3.27Å; Q550-D552 PolarHBondContact O-N 2.93Å; D552-K555 PolarHBondContact O-N 3.49Å; D552-K555 IonicContact OD1-NZ 3.4Å; D552-K555 PolarHBondContact OD1-NZ 2.96Å; D552-A556 WeakPolarHBondContact O-CB 3.22Å; D552-A556 PolarHBondContact O-N 3.49Å
553	S	81.6	Confident	84.1	Confident	60 Å²	60	72.9 Å²	72.9	42%	0.42	37%	0.366	S	S	.	.	H	α-helix	trans	-58.6	-46.4	169.8	-179.6	0	0	0	0	111.8	Q549 Q550 A556 K557	Q549-S553 PolarHBondContact O-N 2.98Å; Q549-S553 VanDerWaalsContact O-N 3.07Å; Q550-S553 WeakPolarHBondContact O-CB 3.45Å; Q550-S553 PolarHBondContact O-N 2.91Å; Q550-S553 VanDerWaalsContact O-N 3.14Å; S553-A556 PolarHBondContact O-N 3.43Å; S553-K557 WeakPolarHBondContact O-CB 3.49Å; S553-K557 PolarHBondContact O-N 2.89Å
554	F	78.8	Confident	84	Confident	52 Å²	52	75.4 Å²	75.4	23%	0.228	38%	0.377	C	S	.	.	H	α-helix	trans	-64	-43.6	177.2	-81	-69	0	0	0	112.4	L246 T255 Q550 A551 A556 K557 R558 F911	L246-F554 HydrophobicContact CD2-CE1 4.36Å; L246-F554 HydrophobicContact CD2-CE2 4.15Å; L246-F554 HydrophobicContact CD2-CZ 3.51Å; T255-F554 HydrophobicContact CG2-CZ 4.33Å; Q550-F554 HydrophobicContact CB-CD2 4.48Å; Q550-F554 HydrophobicContact CB-CE2 4.46Å; Q550-F554 WeakPolarHBondContact O-CD2 3.44Å; Q550-F554 PolarHBondContact O-N 3.21Å; A551-F554 PolarHBondContact O-N 3.49Å; F554-A556 VanDerWaalsContact C-N 3.35Å; F554-A556 PolarHBondContact O-N 2.58Å; F554-K557 PolarHBondContact O-N 3.45Å; F554-R558 WeakPolarHBondContact O-CB 3.32Å; F554-R558 PolarHBondContact O-N 2.96Å; F554-F911 AromaticContact CD1-CD1 3.98Å; F554-F911 HydrophobicContact CD1-CD1 3.98Å; F554-F911 AromaticContact CD1-CE1 3.79Å; F554-F911 HydrophobicContact CD1-CE1 3.79Å; F554-F911 HydrophobicContact CE1-CE1 4.19Å
555	K	84.9	Confident	83.9	Confident	131 Å²	131	68.8 Å²	68.8	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-59.6	-44.3	174	-72.1	171.8	-160	155.4	0	111.7	A551 D552 R558 F559	A551-K555 VanDerWaalsContact O-CG 3.29Å; A551-K555 WeakPolarHBondContact O-CG 3.18Å; A551-K555 PolarHBondContact O-N 3.27Å; D552-K555 PolarHBondContact O-N 3.49Å; D552-K555 IonicContact OD1-NZ 3.4Å; D552-K555 PolarHBondContact OD1-NZ 2.96Å; K555-R558 PolarHBondContact O-N 3.28Å; K555-F559 VanDerWaalsContact O-CB 3.26Å; K555-F559 WeakPolarHBondContact O-CB 3.19Å; K555-F559 PolarHBondContact O-N 2.99Å
556	A	85.2	Confident	83.9	Confident	52 Å²	52	71.7 Å²	71.7	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-63.7	-42.7	178.4	0	0	0	0	0	111.6	D552 S553 F554 F559 N560	D552-A556 WeakPolarHBondContact O-CB 3.22Å; D552-A556 PolarHBondContact O-N 3.49Å; S553-A556 PolarHBondContact O-N 3.43Å; F554-A556 VanDerWaalsContact C-N 3.35Å; F554-A556 PolarHBondContact O-N 2.58Å; A556-F559 PolarHBondContact O-N 2.72Å; A556-N560 PolarHBondContact O-N 3.04Å; A556-N560 PolarHBondContact O-ND2 3.13Å
557	K	81.4	Confident	83.9	Confident	49 Å²	49	77.6 Å²	77.6	21%	0.213	39%	0.386	C	S	.	.	H	α-helix	trans	-64.8	-45.7	177.7	-167.3	169.2	-175.9	177.6	0	111.9	S553 F554 F559 N560 L561 F911	S553-K557 WeakPolarHBondContact O-CB 3.49Å; S553-K557 PolarHBondContact O-N 2.89Å; F554-K557 PolarHBondContact O-N 3.45Å; K557-F559 VanDerWaalsContact C-N 3.35Å; K557-F559 PolarHBondContact O-N 2.96Å; K557-N560 PolarHBondContact O-N 3.45Å; K557-L561 WeakPolarHBondContact O-CG 3.2Å; K557-L561 PolarHBondContact O-N 3.47Å; K557-F911 HydrophobicContact CB-CE1 4.44Å; K557-F911 HydrophobicContact CD-CE1 4Å; K557-F911 HydrophobicContact CD-CZ 3.73Å; K557-F911 HydrophobicContact CG-CE1 4.22Å; K557-F911 HydrophobicContact CG-CZ 3.91Å
558	R	82.6	Confident	83.9	Confident	95 Å²	95	77.9 Å²	77.9	36%	0.358	39%	0.388	S	S	.	.	H	α-helix	trans	-58.4	-47.1	173.3	178.7	179.6	164.1	161.9	1.1	111.2	F554 K555 N560 L561 E562 F911	F554-R558 WeakPolarHBondContact O-CB 3.32Å; F554-R558 PolarHBondContact O-N 2.96Å; K555-R558 PolarHBondContact O-N 3.28Å; R558-N560 VanDerWaalsContact C-N 3.31Å; R558-N560 PolarHBondContact O-N 3.41Å; R558-L561 PolarHBondContact O-N 3.47Å; R558-E562 HydrophobicContact CG-CG 4.34Å; R558-E562 IonicContact CZ-OE1 2.84Å; R558-E562 IonicContact NE-OE1 3.88Å; R558-E562 PolarHBondContact NE-OE1 3.16Å; R558-E562 IonicContact NH2-OE1 2.86Å; R558-E562 PolarHBondContact NH2-OE1 3.39Å; R558-E562 VanDerWaalsContact NH2-OE1 3.1Å; R558-E562 WeakPolarHBondContact O-CG 3.43Å; R558-E562 PolarHBondContact O-N 2.99Å; R558-F911 HydrophobicContact CB-CB 4.15Å; R558-F911 HydrophobicContact CB-CG 4.34Å; R558-F911 HydrophobicContact CG-CB 4.15Å
559	F	87.3	Confident	83.8	Confident	128 Å²	128	73.6 Å²	73.6	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-60.1	-40.2	177.9	-179.8	-96.8	0	0	0	112.5	K555 A556 K557 E562 T563	K555-F559 VanDerWaalsContact O-CB 3.26Å; K555-F559 WeakPolarHBondContact O-CB 3.19Å; K555-F559 PolarHBondContact O-N 2.99Å; A556-F559 PolarHBondContact O-N 2.72Å; K557-F559 VanDerWaalsContact C-N 3.35Å; K557-F559 PolarHBondContact O-N 2.96Å; F559-E562 PolarHBondContact O-N 3.27Å; F559-T563 VanDerWaalsContact O-CB 3.29Å; F559-T563 WeakPolarHBondContact O-CB 3.28Å; F559-T563 PolarHBondContact O-N 3.44Å; F559-T563 PolarHBondContact O-OG1 3.27Å
560	N	86.9	Confident	83.5	Confident	106 Å²	106	71.6 Å²	71.6	57%	0.567	37%	0.365	S	S	*	.	H	α-helix	trans	-62.5	-44.3	175.7	-72	-20.5	0	0	0	111.7	A556 K557 R558 T563 E564	A556-N560 PolarHBondContact O-N 3.04Å; A556-N560 PolarHBondContact O-ND2 3.13Å; K557-N560 PolarHBondContact O-N 3.45Å; R558-N560 VanDerWaalsContact C-N 3.31Å; R558-N560 PolarHBondContact O-N 3.41Å; N560-T563 PolarHBondContact O-N 3.29Å; N560-E564 PolarHBondContact O-N 3.25Å
561	L	84.4	Confident	83.1	Confident	18 Å²	18	80.6 Å²	80.6	9%	0.094	40%	0.404	C	S	.	.	H	α-helix	trans	-67.4	-41.6	177.3	-69.9	170.6	0	0	0	112.2	K557 R558 T563 E564 W565 L904 Q907 L908 F911	K557-L561 WeakPolarHBondContact O-CG 3.2Å; K557-L561 PolarHBondContact O-N 3.47Å; R558-L561 PolarHBondContact O-N 3.47Å; L561-T563 PolarHBondContact O-N 2.94Å; L561-E564 PolarHBondContact O-N 2.91Å; L561-W565 PolarHBondContact O-N 3.34Å; L561-L904 HydrophobicContact CD2-CD2 3.96Å; L561-Q907 HydrophobicContact CD1-CB 4.19Å; L561-L908 HydrophobicContact CB-CD2 3.55Å; L561-L908 HydrophobicContact CB-CG 4.08Å; L561-F911 HydrophobicContact CD1-CD2 3.73Å; L561-F911 HydrophobicContact CD1-CE2 3.23Å; L561-F911 HydrophobicContact CD1-CZ 4.06Å
562	E	85.6	Confident	82.7	Confident	43 Å²	43	81.7 Å²	81.7	20%	0.201	40%	0.402	C	S	.	.	H	α-helix	trans	-63.4	-36.1	175.7	-74.7	-176.7	-174.5	0	0	110.6	R558 F559 R566 L908	R558-E562 HydrophobicContact CG-CG 4.34Å; R558-E562 IonicContact CZ-OE1 2.84Å; R558-E562 IonicContact NE-OE1 3.88Å; R558-E562 PolarHBondContact NE-OE1 3.16Å; R558-E562 IonicContact NH2-OE1 2.86Å; R558-E562 PolarHBondContact NH2-OE1 3.39Å; R558-E562 VanDerWaalsContact NH2-OE1 3.1Å; R558-E562 WeakPolarHBondContact O-CG 3.43Å; R558-E562 PolarHBondContact O-N 2.99Å; F559-E562 PolarHBondContact O-N 3.27Å; E562-R566 WeakPolarHBondContact O-CB 3.39Å; E562-R566 WeakPolarHBondContact O-CG 3.23Å; E562-R566 PolarHBondContact O-N 3.37Å; E562-L908 HydrophobicContact CB-CD2 4.37Å; E562-L908 HydrophobicContact CG-CD2 3.56Å
563	T	87.2	Confident	82.4	Confident	47 Å²	47	86 Å²	86	29%	0.288	41%	0.411	S	S	.	.	H	α-helix	trans	-68.8	-43.3	174.9	-59.6	0	0	0	0	111.3	F559 N560 L561 W565 R566 N567	F559-T563 VanDerWaalsContact O-CB 3.29Å; F559-T563 WeakPolarHBondContact O-CB 3.28Å; F559-T563 PolarHBondContact O-N 3.44Å; F559-T563 PolarHBondContact O-OG1 3.27Å; N560-T563 PolarHBondContact O-N 3.29Å; L561-T563 PolarHBondContact O-N 2.94Å; T563-W565 VanDerWaalsContact C-N 3.32Å; T563-W565 PolarHBondContact O-N 2.97Å; T563-R566 PolarHBondContact O-N 3Å; T563-N567 WeakPolarHBondContact O-CB 3.45Å; T563-N567 PolarHBondContact O-N 3.17Å; T563-N567 PolarHBondContact O-ND2 3.45Å
564	E	86.2	Confident	82.2	Confident	60 Å²	60	86.9 Å²	86.9	28%	0.28	41%	0.409	S	S	.	.	H	α-helix	trans	-59.8	-43.4	174.1	-169.4	-174.9	159.9	0	0	111.2	N560 L561 N567 T568 R900 L904	N560-E564 PolarHBondContact O-N 3.25Å; L561-E564 PolarHBondContact O-N 2.91Å; E564-N567 PolarHBondContact O-N 3.48Å; E564-T568 VanDerWaalsContact O-CB 3.31Å; E564-T568 WeakPolarHBondContact O-CB 3.42Å; E564-T568 PolarHBondContact O-N 3.47Å; E564-T568 PolarHBondContact O-OG1 3.3Å; E564-R900 VanDerWaalsContact CD-NH2 3.34Å; E564-R900 IonicContact OE1-CZ 2.62Å; E564-R900 VanDerWaalsContact OE1-CZ 3.25Å; E564-R900 IonicContact OE1-NE 2.8Å; E564-R900 PolarHBondContact OE1-NE 2.91Å; E564-R900 IonicContact OE1-NH2 2.77Å; E564-R900 PolarHBondContact OE1-NH2 3.4Å; E564-R900 IonicContact OE2-NH2 3.99Å; E564-R900 PolarHBondContact OE2-NH2 3.43Å; E564-L904 HydrophobicContact CG-CD1 4.08Å; E564-L904 HydrophobicContact CG-CD2 4.43Å
565	W	83.6	Confident	82	Confident	9 Å²	9	86.2 Å²	86.2	3%	0.034	41%	0.407	C	S	.	.	H	α-helix	trans	-58.7	-52.7	174.9	-179.1	-90.3	0	0	0	111.7	L561 T563 N567 T568 F569 K572 E574 Q901 L904 A905 L908	L561-W565 PolarHBondContact O-N 3.34Å; T563-W565 VanDerWaalsContact C-N 3.32Å; T563-W565 PolarHBondContact O-N 2.97Å; W565-N567 VanDerWaalsContact C-N 3.25Å; W565-N567 PolarHBondContact O-N 3.05Å; W565-T568 PolarHBondContact O-N 3.45Å; W565-F569 HydrophobicContact CD2-CD2 4.31Å; W565-F569 HydrophobicContact CE3-CD2 4.08Å; W565-F569 HydrophobicContact CZ3-CD2 4.21Å; W565-F569 WeakPolarHBondContact O-CA 3.48Å; W565-F569 PolarHBondContact O-N 3.01Å; W565-K572 PolarHBondContact NE1-O 3.47Å; W565-E574 HydrophobicContact CD2-CG 3.86Å; W565-E574 HydrophobicContact CE3-CG 4.27Å; W565-E574 HydrophobicContact CG-CG 4.37Å; W565-E574 HydrophobicContact CH2-CB 4.45Å; W565-E574 HydrophobicContact CH2-CG 4.08Å; W565-E574 HydrophobicContact CZ2-CB 4.23Å; W565-E574 HydrophobicContact CZ2-CG 3.67Å; W565-E574 HydrophobicContact CZ3-CG 4.34Å; W565-Q901 HydrophobicContact CH2-CG 3.58Å; W565-Q901 HydrophobicContact CZ2-CG 4.45Å; W565-Q901 HydrophobicContact CZ3-CG 3.97Å; W565-Q901 WeakPolarHBondContact CZ3-O 3.49Å; W565-L904 HydrophobicContact CE3-CB 3.81Å; W565-L904 HydrophobicContact CZ3-CB 4.11Å; W565-A905 HydrophobicContact CH2-CB 4Å; W565-A905 HydrophobicContact CZ3-CB 3.76Å; W565-L908 HydrophobicContact CB-CD1 3.91Å; W565-L908 HydrophobicContact CD2-CD1 4.37Å; W565-L908 HydrophobicContact CE3-CD1 4.27Å; W565-L908 HydrophobicContact CG-CD1 4.22Å
566	R	85.2	Confident	81.5	Confident	177 Å²	177	83.7 Å²	83.7	67%	0.668	40%	0.4	S	S	*	.	H	α-helix	trans	-61.7	-34.4	-178.9	-73	174.2	-175.3	-158.8	5.3	112.5	E562 T563	E562-R566 WeakPolarHBondContact O-CB 3.39Å; E562-R566 WeakPolarHBondContact O-CG 3.23Å; E562-R566 PolarHBondContact O-N 3.37Å; T563-R566 PolarHBondContact O-N 3Å
567	N	85.8	Confident	81.3	Confident	127 Å²	127	82.9 Å²	82.9	68%	0.679	39%	0.386	S	S	*	.	H	α-helix	trans	-75.4	-40.1	178.1	-71.9	-17.1	0	0	0	112.5	T563 E564 W565	T563-N567 WeakPolarHBondContact O-CB 3.45Å; T563-N567 PolarHBondContact O-N 3.17Å; T563-N567 PolarHBondContact O-ND2 3.45Å; E564-N567 PolarHBondContact O-N 3.48Å; W565-N567 VanDerWaalsContact C-N 3.25Å; W565-N567 PolarHBondContact O-N 3.05Å
568	T	83	Confident	81.2	Confident	67 Å²	67	84.9 Å²	84.9	41%	0.411	40%	0.399	S	S	.	.	H	α-helix	trans	-83.6	-37.1	-175.7	-48.5	0	0	0	0	112	E564 W565	E564-T568 VanDerWaalsContact O-CB 3.31Å; E564-T568 WeakPolarHBondContact O-CB 3.42Å; E564-T568 PolarHBondContact O-N 3.47Å; E564-T568 PolarHBondContact O-OG1 3.3Å; W565-T568 PolarHBondContact O-N 3.45Å
569	F	79.7	Confident	81.2	Confident	31 Å²	31	84 Å²	84	14%	0.136	40%	0.399	C	S	.	.	S	Bend	trans	-130	67.4	-173.1	-56.7	-63.8	0	0	0	111.7	W565 K571 K572 Q901 L904	W565-F569 HydrophobicContact CD2-CD2 4.31Å; W565-F569 HydrophobicContact CE3-CD2 4.08Å; W565-F569 HydrophobicContact CZ3-CD2 4.21Å; W565-F569 WeakPolarHBondContact O-CA 3.48Å; W565-F569 PolarHBondContact O-N 3.01Å; F569-K571 PolarHBondContact O-N 3.16Å; F569-K572 HydrophobicContact CB-CB 4.14Å; F569-K572 HydrophobicContact CB-CD 4.22Å; F569-K572 HydrophobicContact CB-CG 4.49Å; F569-K572 HydrophobicContact CD1-CD 4.29Å; F569-K572 PolarHBondContact O-N 3.29Å; F569-Q901 HydrophobicContact CD1-CG 4.42Å; F569-Q901 HydrophobicContact CD2-CB 4.32Å; F569-Q901 HydrophobicContact CD2-CG 4.12Å; F569-Q901 HydrophobicContact CE1-CB 4Å; F569-Q901 HydrophobicContact CE1-CG 4.31Å; F569-Q901 VanDerWaalsContact CE2-CA 3.45Å; F569-Q901 HydrophobicContact CE2-CB 3.7Å; F569-Q901 HydrophobicContact CE2-CG 4.02Å; F569-Q901 HydrophobicContact CG-CG 4.33Å; F569-Q901 HydrophobicContact CZ-CB 3.52Å; F569-Q901 HydrophobicContact CZ-CG 4.12Å; F569-L904 HydrophobicContact CE2-CD1 4.23Å
570	P	76.7	Confident	80.9	Confident	90 Å²	90	78.2 Å²	78.2	58%	0.584	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	132.5	179.6	24.8	-33.4	0	0	0	110.8	K572	P570-K572 PolarHBondContact O-N 2.92Å
571	K	72.3	Confident	80.8	Confident	220 Å²	220	73.3 Å²	73.3	96%	0.957	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	8	177.4	-50.5	177	-179.5	177	0	116.2	F569	F569-K571 PolarHBondContact O-N 3.16Å
572	K	73.6	Confident	80.8	Confident	61 Å²	61	75.9 Å²	75.9	27%	0.265	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-90.6	133.9	172.1	-65.8	-175	178	177.8	0	109.9	W565 F569 P570	W565-K572 PolarHBondContact NE1-O 3.47Å; F569-K572 HydrophobicContact CB-CB 4.14Å; F569-K572 HydrophobicContact CB-CD 4.22Å; F569-K572 HydrophobicContact CB-CG 4.49Å; F569-K572 HydrophobicContact CD1-CD 4.29Å; F569-K572 PolarHBondContact O-N 3.29Å; P570-K572 PolarHBondContact O-N 2.92Å
573	R	79.3	Confident	80.7	Confident	182 Å²	182	77.3 Å²	77.3	69%	0.687	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-72.3	141.7	171.6	176.9	175.4	167.7	178.8	-7	109.4	L575 E579	R573-L575 HydrophobicContact CG-CD2 4.34Å; R573-L575 PolarHBondContact O-N 3.09Å; R573-E579 IonicContact NH2-OE1 3.89Å
574	E	76	Confident	80.5	Confident	79 Å²	79	75.2 Å²	75.2	37%	0.369	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-65.2	117.5	168.4	-66	161.5	-146.5	0	0	108	W565 L908	W565-E574 HydrophobicContact CD2-CG 3.86Å; W565-E574 HydrophobicContact CE3-CG 4.27Å; W565-E574 HydrophobicContact CG-CG 4.37Å; W565-E574 HydrophobicContact CH2-CB 4.45Å; W565-E574 HydrophobicContact CH2-CG 4.08Å; W565-E574 HydrophobicContact CZ2-CB 4.23Å; W565-E574 HydrophobicContact CZ2-CG 3.67Å; W565-E574 HydrophobicContact CZ3-CG 4.34Å; E574-L908 HydrophobicContact CG-CD1 4.3Å
575	L	74.5	Confident	80.5	Confident	39 Å²	39	76.2 Å²	76.2	20%	0.204	35%	0.353	C	S	.	.			trans	-118.4	131.9	179.9	-65	172.5	0	0	0	107.8	R573 E579 L580	R573-L575 HydrophobicContact CG-CD2 4.34Å; R573-L575 PolarHBondContact O-N 3.09Å; L575-E579 WeakPolarHBondContact CA-OE2 3.25Å; L575-E579 HydrophobicContact CB-CB 4.22Å; L575-E579 HydrophobicContact CD2-CB 4.25Å; L575-E579 WeakPolarHBondContact CD2-OE2 3.35Å; L575-L580 HydrophobicContact CB-CD2 3.99Å; L575-L580 HydrophobicContact CB-CG 3.95Å; L575-L580 HydrophobicContact CD1-CD2 3.82Å
576	D	75.9	Confident	80.6	Confident	77 Å²	77	79.5 Å²	79.5	41%	0.412	37%	0.372	S	S	.	.			trans	-68.5	160.7	175.2	-66.9	-22.8	0	0	0	110.4	D578 E579 L580	D576-D578 PolarHBondContact O-N 3.46Å; D576-D578 VanDerWaalsContact O-N 3.12Å; D576-E579 HydrophobicContact CB-CG 4.45Å; D576-E579 PolarHBondContact O-N 2.76Å; D576-L580 PolarHBondContact O-N 3.17Å
577	R	80.2	Confident	80.6	Confident	35 Å²	35	72.8 Å²	72.8	13%	0.132	35%	0.348	C	S	.	.	H	α-helix	trans	-57.1	-32.1	-180	-166.9	-179.6	-78.2	118.7	4.2	112	F581 K893 I897 V902 E906	R577-F581 WeakPolarHBondContact O-CB 3.4Å; R577-F581 PolarHBondContact O-N 3.38Å; R577-K893 VanDerWaalsContact CD-CB 3.49Å; R577-K893 HydrophobicContact CG-CB 4.05Å; R577-I897 HydrophobicContact CG-CB 4.17Å; R577-I897 HydrophobicContact CG-CD1 4.15Å; R577-I897 HydrophobicContact CG-CG2 4.12Å; R577-V902 HydrophobicContact CB-CG1 4.41Å; R577-V902 HydrophobicContact CG-CG1 4.43Å; R577-E906 IonicContact CZ-OE1 3.4Å; R577-E906 IonicContact CZ-OE2 3.64Å; R577-E906 IonicContact NE-OE1 3.84Å; R577-E906 IonicContact NH1-OE1 2.76Å; R577-E906 PolarHBondContact NH1-OE1 3.19Å; R577-E906 IonicContact NH1-OE2 3.45Å; R577-E906 IonicContact NH2-OE1 2.66Å; R577-E906 PolarHBondContact NH2-OE1 3.15Å; R577-E906 IonicContact NH2-OE2 3.69Å; R577-E906 PolarHBondContact NH2-OE2 3.32Å
578	D	79.8	Confident	80.6	Confident	92 Å²	92	66.9 Å²	66.9	49%	0.492	32%	0.316	S	S	.	.	H	α-helix	trans	-70.5	-43.5	176.1	-69.1	-18.8	0	0	0	112.3	D576 L580 F581 E582 K893	D576-D578 PolarHBondContact O-N 3.46Å; D576-D578 VanDerWaalsContact O-N 3.12Å; D578-L580 VanDerWaalsContact C-N 3.3Å; D578-L580 PolarHBondContact O-N 2.83Å; D578-F581 PolarHBondContact O-N 2.68Å; D578-E582 VanDerWaalsContact O-CG 3.29Å; D578-E582 WeakPolarHBondContact O-CG 3.35Å; D578-E582 PolarHBondContact O-N 3.05Å; D578-K893 WeakPolarHBondContact OD1-CD 3.5Å; D578-K893 IonicContact OD1-NZ 2.68Å; D578-K893 PolarHBondContact OD1-NZ 2.85Å
579	E	81.2	Confident	80.7	Confident	77 Å²	77	65.4 Å²	65.4	36%	0.36	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-37.3	175.5	-64.5	-172.4	150.5	0	0	111.5	R573 L575 D576 E582 K583	R573-E579 IonicContact NH2-OE1 3.89Å; L575-E579 WeakPolarHBondContact CA-OE2 3.25Å; L575-E579 HydrophobicContact CB-CB 4.22Å; L575-E579 HydrophobicContact CD2-CB 4.25Å; L575-E579 WeakPolarHBondContact CD2-OE2 3.35Å; D576-E579 HydrophobicContact CB-CG 4.45Å; D576-E579 PolarHBondContact O-N 2.76Å; E579-E582 PolarHBondContact O-N 3.1Å; E579-K583 PolarHBondContact O-N 3.28Å
580	L	82.2	Confident	81	Confident	6 Å²	6	69 Å²	69	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-41.5	174	-73	175.1	0	0	0	112.2	L575 D576 D578 K583 A584 F685 I897 V902	L575-L580 HydrophobicContact CB-CD2 3.99Å; L575-L580 HydrophobicContact CB-CG 3.95Å; L575-L580 HydrophobicContact CD1-CD2 3.82Å; D576-L580 PolarHBondContact O-N 3.17Å; D578-L580 VanDerWaalsContact C-N 3.3Å; D578-L580 PolarHBondContact O-N 2.83Å; L580-K583 PolarHBondContact O-N 3.37Å; L580-A584 PolarHBondContact O-N 3.21Å; L580-F685 HydrophobicContact CB-CE1 4.25Å; L580-F685 HydrophobicContact CD2-CE1 4.34Å; L580-F685 HydrophobicContact CD2-CZ 4.09Å; L580-F685 WeakPolarHBondContact O-CE1 3.07Å; L580-I897 HydrophobicContact CB-CG2 4.41Å; L580-I897 HydrophobicContact CD1-CG2 4.11Å; L580-V902 HydrophobicContact CD1-CG1 4.45Å; L580-V902 HydrophobicContact CD1-CG2 3.74Å
581	F	85	Confident	81.3	Confident	2 Å²	2	65 Å²	65	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-43.6	175.9	-173.5	-86.2	0	0	0	111.4	R577 D578 K583 A584 R585 L688 I883 W886 S887 K893 I897	R577-F581 WeakPolarHBondContact O-CB 3.4Å; R577-F581 PolarHBondContact O-N 3.38Å; D578-F581 PolarHBondContact O-N 2.68Å; F581-K583 VanDerWaalsContact C-N 3.3Å; F581-K583 PolarHBondContact O-N 3.34Å; F581-A584 PolarHBondContact O-N 3.38Å; F581-R585 PolarHBondContact O-N 3.18Å; F581-L688 HydrophobicContact CD2-CD1 4.49Å; F581-L688 HydrophobicContact CD2-CD2 4Å; F581-L688 HydrophobicContact CE2-CD1 4.12Å; F581-L688 HydrophobicContact CE2-CD2 4.19Å; F581-I883 HydrophobicContact CE1-CG2 3.82Å; F581-I883 HydrophobicContact CZ-CG2 4.06Å; F581-W886 HydrophobicContact CE2-CB 4.19Å; F581-W886 HydrophobicContact CZ-CB 3.97Å; F581-S887 VanDerWaalsContact CE1-CB 3.49Å; F581-K893 HydrophobicContact CD2-CG 4.05Å; F581-I897 HydrophobicContact CB-CD1 3.83Å; F581-I897 HydrophobicContact CD2-CD1 3.98Å; F581-I897 HydrophobicContact CG-CD1 4.43Å
582	E	83.6	Confident	81.8	Confident	73 Å²	73	54.8 Å²	54.8	34%	0.341	26%	0.255	S	S	.	.	H	α-helix	trans	-62	-38	176.4	-71.3	-71.4	117	0	0	112	D578 E579 R585 N586	D578-E582 VanDerWaalsContact O-CG 3.29Å; D578-E582 WeakPolarHBondContact O-CG 3.35Å; D578-E582 PolarHBondContact O-N 3.05Å; E579-E582 PolarHBondContact O-N 3.1Å; E582-R585 PolarHBondContact O-N 2.92Å; E582-R585 IonicContact OE1-CZ 3.44Å; E582-R585 IonicContact OE1-NH1 3.09Å; E582-R585 PolarHBondContact OE1-NH1 2.88Å; E582-R585 IonicContact OE1-NH2 3.21Å; E582-R585 IonicContact OE2-CZ 2.57Å; E582-R585 IonicContact OE2-NE 2.91Å; E582-R585 IonicContact OE2-NH1 3.53Å; E582-R585 PolarHBondContact OE2-NH1 3.34Å; E582-R585 IonicContact OE2-NH2 3.9Å; E582-R585 PolarHBondContact OE2-NH2 3.37Å; E582-N586 VanDerWaalsContact O-CG 3.29Å; E582-N586 PolarHBondContact O-N 3Å; E582-N586 VanDerWaalsContact O-N 3.17Å; E582-N586 PolarHBondContact O-ND2 3Å; E582-N586 PolarHBondContact O-OD1 2.66Å
583	K	83.8	Confident	82.2	Confident	72 Å²	72	55.3 Å²	55.3	31%	0.313	26%	0.261	S	S	.	.	H	α-helix	trans	-64.8	-46.3	173.2	-170.6	178.9	177	-176.1	0	111.7	E579 L580 F581 R585 N586 E587 F685	E579-K583 PolarHBondContact O-N 3.28Å; L580-K583 PolarHBondContact O-N 3.37Å; F581-K583 VanDerWaalsContact C-N 3.3Å; F581-K583 PolarHBondContact O-N 3.34Å; K583-R585 VanDerWaalsContact C-N 3.29Å; K583-R585 PolarHBondContact O-N 3.34Å; K583-N586 PolarHBondContact O-N 2.85Å; K583-E587 WeakPolarHBondContact CE-OE1 3.27Å; K583-E587 PolarHBondContact O-N 2.95Å; K583-F685 HydrophobicContact CB-CZ 4.5Å; K583-F685 HydrophobicContact CD-CE2 4.46Å; K583-F685 HydrophobicContact CD-CZ 4.31Å
584	A	83.7	Confident	82.5	Confident	3 Å²	3	48.1 Å²	48.1	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-37.5	177.7	0	0	0	0	0	112.3	L580 F581 E587 L588 F685 L688	L580-A584 PolarHBondContact O-N 3.21Å; F581-A584 PolarHBondContact O-N 3.38Å; A584-E587 PolarHBondContact O-N 2.86Å; A584-L588 WeakPolarHBondContact O-CB 3.36Å; A584-L588 PolarHBondContact O-N 3.35Å; A584-F685 HydrophobicContact CB-CB 4.49Å; A584-F685 HydrophobicContact CB-CD1 3.57Å; A584-F685 HydrophobicContact CB-CE1 3.88Å; A584-F685 HydrophobicContact CB-CG 4.05Å; A584-L688 HydrophobicContact CB-CD2 3.74Å
585	R	85.9	Confident	82.9	Confident	81 Å²	81	44.6 Å²	44.6	31%	0.306	22%	0.224	S	C	.	.	H	α-helix	trans	-57.8	-50.3	172.6	173.3	-175.8	83.5	-157.4	-4.6	111.1	F581 E582 K583 E587 L588 L589 I883	F581-R585 PolarHBondContact O-N 3.18Å; E582-R585 PolarHBondContact O-N 2.92Å; E582-R585 IonicContact OE1-CZ 3.44Å; E582-R585 IonicContact OE1-NH1 3.09Å; E582-R585 PolarHBondContact OE1-NH1 2.88Å; E582-R585 IonicContact OE1-NH2 3.21Å; E582-R585 IonicContact OE2-CZ 2.57Å; E582-R585 IonicContact OE2-NE 2.91Å; E582-R585 IonicContact OE2-NH1 3.53Å; E582-R585 PolarHBondContact OE2-NH1 3.34Å; E582-R585 IonicContact OE2-NH2 3.9Å; E582-R585 PolarHBondContact OE2-NH2 3.37Å; K583-R585 VanDerWaalsContact C-N 3.29Å; K583-R585 PolarHBondContact O-N 3.34Å; R585-E587 VanDerWaalsContact C-N 3.33Å; R585-E587 PolarHBondContact O-N 3.39Å; R585-L588 PolarHBondContact O-N 3.39Å; R585-L589 HydrophobicContact CG-CD1 3.95Å; R585-L589 HydrophobicContact CG-CG 4.37Å; R585-L589 VanDerWaalsContact O-CG 3.3Å; R585-L589 WeakPolarHBondContact O-CG 3.44Å; R585-L589 PolarHBondContact O-N 3.17Å; R585-I883 HydrophobicContact CB-CG2 4.06Å; R585-I883 HydrophobicContact CG-CD1 4.2Å; R585-I883 HydrophobicContact CG-CG2 3.77Å
586	N	85.9	Confident	83.1	Confident	79 Å²	79	47.1 Å²	47.1	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-63.1	-42.6	-177.2	-64.2	-16.6	0	0	0	110.8	E582 K583 L588 L589 D590	E582-N586 VanDerWaalsContact O-CG 3.29Å; E582-N586 PolarHBondContact O-N 3Å; E582-N586 VanDerWaalsContact O-N 3.17Å; E582-N586 PolarHBondContact O-ND2 3Å; E582-N586 PolarHBondContact O-OD1 2.66Å; K583-N586 PolarHBondContact O-N 2.85Å; N586-L588 PolarHBondContact O-N 3.31Å; N586-L589 PolarHBondContact O-N 3.17Å; N586-D590 PolarHBondContact O-N 3.3Å
587	E	84.4	Confident	83.4	Confident	36 Å²	36	51.5 Å²	51.5	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-43.7	175.4	-68.6	179.7	-167.4	0	0	112.6	K583 A584 R585 L589 D590 E591 K689	K583-E587 WeakPolarHBondContact CE-OE1 3.27Å; K583-E587 PolarHBondContact O-N 2.95Å; A584-E587 PolarHBondContact O-N 2.86Å; R585-E587 VanDerWaalsContact C-N 3.33Å; R585-E587 PolarHBondContact O-N 3.39Å; E587-L589 VanDerWaalsContact C-N 3.33Å; E587-L589 PolarHBondContact O-N 2.88Å; E587-D590 PolarHBondContact O-N 3.41Å; E587-E591 WeakPolarHBondContact O-CG 3.27Å; E587-E591 PolarHBondContact O-N 3.41Å; E587-K689 IonicContact OE2-NZ 3.46Å; E587-K689 PolarHBondContact OE2-NZ 3.48Å
588	L	85.5	Confident	83.5	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-67	-35.3	179	-172.2	63.8	0	0	0	112.1	A584 R585 N586 E591 I592 K689 I692 I693 I879 I883	A584-L588 WeakPolarHBondContact O-CB 3.36Å; A584-L588 PolarHBondContact O-N 3.35Å; R585-L588 PolarHBondContact O-N 3.39Å; N586-L588 PolarHBondContact O-N 3.31Å; L588-E591 PolarHBondContact O-N 3.24Å; L588-I592 HydrophobicContact CG-CD1 4.25Å; L588-I592 WeakPolarHBondContact O-CD1 3.42Å; L588-I592 VanDerWaalsContact O-CG1 3.23Å; L588-I592 WeakPolarHBondContact O-CG1 3.27Å; L588-I592 PolarHBondContact O-N 2.66Å; L588-K689 HydrophobicContact CD1-CG 4.33Å; L588-I692 HydrophobicContact CD2-CB 4.14Å; L588-I692 HydrophobicContact CD2-CD1 3.91Å; L588-I692 HydrophobicContact CD2-CG2 3.66Å; L588-I693 HydrophobicContact CD1-CD1 4.44Å; L588-I693 HydrophobicContact CD1-CG1 4.5Å; L588-I879 HydrophobicContact CD2-CG2 3.8Å; L588-I879 HydrophobicContact CG-CG2 4.36Å; L588-I883 HydrophobicContact CD2-CD1 3.98Å; L588-I883 HydrophobicContact CD2-CG1 4.48Å
589	L	85.1	Confident	83.7	Confident	35 Å²	35	49.7 Å²	49.7	18%	0.183	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-38	174.5	-70.7	175.5	0	0	0	111.8	R585 N586 E587 I592 N593 K880	R585-L589 HydrophobicContact CG-CD1 3.95Å; R585-L589 HydrophobicContact CG-CG 4.37Å; R585-L589 VanDerWaalsContact O-CG 3.3Å; R585-L589 WeakPolarHBondContact O-CG 3.44Å; R585-L589 PolarHBondContact O-N 3.17Å; N586-L589 PolarHBondContact O-N 3.17Å; E587-L589 VanDerWaalsContact C-N 3.33Å; E587-L589 PolarHBondContact O-N 2.88Å; L589-I592 PolarHBondContact O-N 3.48Å; L589-N593 PolarHBondContact O-N 3.28Å; L589-N593 PolarHBondContact O-ND2 3.4Å; L589-N593 VanDerWaalsContact O-ND2 3.16Å; L589-K880 HydrophobicContact CD2-CD 4.31Å; L589-K880 VanDerWaalsContact CD2-CE 3.47Å; L589-K880 HydrophobicContact CD2-CG 3.81Å
590	D	85.4	Confident	83.9	Confident	107 Å²	107	48.9 Å²	48.9	57%	0.572	26%	0.256	S	S	*	.	H	α-helix	trans	-65.8	-41.4	175.1	-69.3	-22.4	0	0	0	111.5	N586 E587 I592 N593 A594	N586-D590 PolarHBondContact O-N 3.3Å; E587-D590 PolarHBondContact O-N 3.41Å; D590-I592 VanDerWaalsContact C-N 3.34Å; D590-I592 PolarHBondContact O-N 3.47Å; D590-N593 PolarHBondContact O-N 3.48Å; D590-A594 PolarHBondContact O-N 3.45Å
591	E	83.3	Confident	84.1	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.028	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-38.2	174.8	-72.7	165	-169.4	0	0	112.2	E587 L588 A594 L595 I671 V672 K689	E587-E591 WeakPolarHBondContact O-CG 3.27Å; E587-E591 PolarHBondContact O-N 3.41Å; L588-E591 PolarHBondContact O-N 3.24Å; E591-A594 WeakPolarHBondContact O-CB 3.45Å; E591-A594 PolarHBondContact O-N 3.02Å; E591-L595 PolarHBondContact O-N 3.34Å; E591-I671 HydrophobicContact CB-CG2 4.2Å; E591-I671 HydrophobicContact CG-CG2 4.4Å; E591-V672 WeakPolarHBondContact OE2-CG2 3.35Å; E591-K689 IonicContact OE1-NZ 2.73Å; E591-K689 PolarHBondContact OE1-NZ 3.21Å; E591-K689 IonicContact OE2-NZ 2.99Å
592	I	83.3	Confident	84.3	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-70.1	-40.3	175.8	-64.8	159.1	0	0	0	111	L588 L589 D590 A594 L595 L668 E876 I879	L588-I592 HydrophobicContact CG-CD1 4.25Å; L588-I592 WeakPolarHBondContact O-CD1 3.42Å; L588-I592 VanDerWaalsContact O-CG1 3.23Å; L588-I592 WeakPolarHBondContact O-CG1 3.27Å; L588-I592 PolarHBondContact O-N 2.66Å; L589-I592 PolarHBondContact O-N 3.48Å; D590-I592 VanDerWaalsContact C-N 3.34Å; D590-I592 PolarHBondContact O-N 3.47Å; I592-A594 PolarHBondContact O-N 3.3Å; I592-L595 WeakPolarHBondContact O-CB 3.39Å; I592-L595 PolarHBondContact O-N 2.97Å; I592-L668 HydrophobicContact CG1-CD1 4.5Å; I592-E876 HydrophobicContact CG2-CB 3.82Å; I592-E876 HydrophobicContact CG2-CG 3.78Å; I592-I879 HydrophobicContact CD1-CB 3.97Å; I592-I879 HydrophobicContact CD1-CD1 3.49Å; I592-I879 VanDerWaalsContact CD1-CD1 3.49Å; I592-I879 HydrophobicContact CD1-CG1 4.32Å; I592-I879 HydrophobicContact CD1-CG2 3.62Å; I592-I879 HydrophobicContact CG1-CD1 3.97Å
593	N	83.1	Confident	84.6	Confident	72 Å²	72	56.3 Å²	56.3	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-60.8	-35.5	174.5	-68.9	-29.1	0	0	0	111.2	L589 D590 L595 E596	L589-N593 PolarHBondContact O-N 3.28Å; L589-N593 PolarHBondContact O-ND2 3.4Å; L589-N593 VanDerWaalsContact O-ND2 3.16Å; D590-N593 PolarHBondContact O-N 3.48Å; N593-L595 PolarHBondContact O-N 3.06Å; N593-E596 PolarHBondContact O-N 3Å; N593-E596 VanDerWaalsContact O-N 3.12Å
594	A	85	Confident	84.9	Confident	31 Å²	31	55.1 Å²	55.1	26%	0.256	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-23.8	174.8	0	0	0	0	0	113.6	D590 E591 I592 E596 E597 I671	D590-A594 PolarHBondContact O-N 3.45Å; E591-A594 WeakPolarHBondContact O-CB 3.45Å; E591-A594 PolarHBondContact O-N 3.02Å; I592-A594 PolarHBondContact O-N 3.3Å; A594-E596 VanDerWaalsContact C-N 3.3Å; A594-E596 PolarHBondContact O-N 3.43Å; A594-E597 PolarHBondContact O-N 2.97Å; A594-I671 HydrophobicContact CB-CD1 4.49Å; A594-I671 HydrophobicContact CB-CG2 4.19Å
595	L	83.2	Confident	85.3	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-34.7	173	-169.9	73.4	0	0	0	111.7	E591 I592 N593 E597 I598 W603 K667 I671 A872	E591-L595 PolarHBondContact O-N 3.34Å; I592-L595 WeakPolarHBondContact O-CB 3.39Å; I592-L595 PolarHBondContact O-N 2.97Å; N593-L595 PolarHBondContact O-N 3.06Å; L595-E597 VanDerWaalsContact C-N 3.29Å; L595-I598 HydrophobicContact CD1-CD1 3.82Å; L595-W603 HydrophobicContact CD1-CH2 4.21Å; L595-W603 HydrophobicContact CD1-CZ2 3.89Å; L595-W603 HydrophobicContact CG-CZ2 4.28Å; L595-K667 HydrophobicContact CD1-CB 4.16Å; L595-I671 HydrophobicContact CB-CD1 4.25Å; L595-I671 HydrophobicContact CD1-CD1 4.04Å; L595-A872 HydrophobicContact CD2-CB 4.42Å
596	E	79.3	Confident	85.5	Confident	93 Å²	93	55.3 Å²	55.3	44%	0.435	30%	0.298	S	S	.	.	H	α-helix	trans	-71.6	-24.5	176.9	-61.3	-160.5	149.7	0	0	112.3	N593 A594 I598	N593-E596 PolarHBondContact O-N 3Å; N593-E596 VanDerWaalsContact O-N 3.12Å; A594-E596 VanDerWaalsContact C-N 3.3Å; A594-E596 PolarHBondContact O-N 3.43Å; E596-I598 VanDerWaalsContact C-N 3.35Å
597	E	81.8	Confident	85.9	Confident	168 Å²	168	51.5 Å²	51.5	79%	0.785	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.5	-179.1	-62.7	-168.8	164	0	0	114.1	A594 L595 A599	A594-E597 PolarHBondContact O-N 2.97Å; L595-E597 VanDerWaalsContact C-N 3.29Å; E597-A599 PolarHBondContact O-N 2.88Å
598	I	83.2	Confident	86.3	Confident	36 Å²	36	54.5 Å²	54.5	19%	0.185	29%	0.288	C	S	.	.	S	Bend	trans	-62	130.2	179.6	-61.8	176	0	0	0	110.6	L595 E596 D602 W603 K667 I671	L595-I598 HydrophobicContact CD1-CD1 3.82Å; E596-I598 VanDerWaalsContact C-N 3.35Å; I598-D602 HydrophobicContact CG2-CB 3.97Å; I598-W603 HydrophobicContact CD1-CZ2 3.96Å; I598-W603 HydrophobicContact CG2-CG 4.4Å; I598-K667 HydrophobicContact CD1-CB 4.18Å; I598-K667 HydrophobicContact CD1-CD 4.45Å; I598-K667 HydrophobicContact CD1-CG 4.48Å; I598-I671 HydrophobicContact CD1-CD1 3.98Å; I598-I671 HydrophobicContact CG1-CD1 4.43Å
599	A	84.4	Confident	86.6	Confident	54 Å²	54	61.1 Å²	61.1	45%	0.446	32%	0.318	S	S	.	.			trans	-59.7	140.9	-179.8	0	0	0	0	0	112	E597 K601 D602 W603	E597-A599 PolarHBondContact O-N 2.88Å; A599-K601 PolarHBondContact O-N 3.05Å; A599-K601 VanDerWaalsContact O-N 3.08Å; A599-D602 PolarHBondContact O-N 3.03Å; A599-W603 PolarHBondContact O-N 3.03Å
600	S	84.4	Confident	86.9	Confident	60 Å²	60	62.4 Å²	62.4	42%	0.42	32%	0.322	S	S	.	.	H	α-helix	trans	-56.5	-33	-177.6	65.3	0	0	0	0	113.4	D602 W603 E604 R864	S600-D602 VanDerWaalsContact C-N 3.34Å; S600-W603 PolarHBondContact O-N 3.01Å; S600-E604 WeakPolarHBondContact O-CG 3.44Å; S600-E604 PolarHBondContact O-N 2.93Å; S600-E604 VanDerWaalsContact O-N 3.14Å; S600-R864 WeakPolarHBondContact O-CD 3.37Å
601	K	87.3	Confident	87.3	Confident	152 Å²	152	57.3 Å²	57.3	66%	0.661	30%	0.295	S	S	*	.	H	α-helix	trans	-65.9	-36.1	178.9	-68.3	-173.4	177.7	-178.2	0	112.6	A599 W603 E604 T605	A599-K601 PolarHBondContact O-N 3.05Å; A599-K601 VanDerWaalsContact O-N 3.08Å; K601-W603 VanDerWaalsContact C-N 3.34Å; K601-E604 PolarHBondContact O-N 3.19Å; K601-T605 WeakPolarHBondContact O-CG2 3.5Å; K601-T605 PolarHBondContact O-N 3.13Å; K601-T605 PolarHBondContact O-OG1 2.87Å
602	D	89.3	Confident	87.7	Confident	81 Å²	81	58.2 Å²	58.2	43%	0.433	30%	0.298	S	S	.	.	H	α-helix	trans	-72.7	-32.7	-177.9	-61.2	-27.7	0	0	0	111.1	I598 A599 S600 T605 A606	I598-D602 HydrophobicContact CG2-CB 3.97Å; A599-D602 PolarHBondContact O-N 3.03Å; S600-D602 VanDerWaalsContact C-N 3.34Å; D602-T605 WeakPolarHBondContact CA-OG1 3.3Å; D602-T605 PolarHBondContact O-OG1 3.39Å; D602-T605 VanDerWaalsContact O-OG1 3.05Å; D602-A606 VanDerWaalsContact O-CB 3.27Å; D602-A606 WeakPolarHBondContact O-CB 3.18Å; D602-A606 PolarHBondContact O-N 2.67Å; D602-A606 VanDerWaalsContact O-N 3.13Å
603	W	89.4	Confident	88	Confident	3 Å²	3	66 Å²	66	1%	0.011	33%	0.332	C	S	.	.	H	α-helix	trans	-65.8	-44.2	168.9	-80.2	111	0	0	0	111.9	L595 I598 A599 S600 K601 T605 L607 L664 K667 R864 I867	L595-W603 HydrophobicContact CD1-CH2 4.21Å; L595-W603 HydrophobicContact CD1-CZ2 3.89Å; L595-W603 HydrophobicContact CG-CZ2 4.28Å; I598-W603 HydrophobicContact CD1-CZ2 3.96Å; I598-W603 HydrophobicContact CG2-CG 4.4Å; A599-W603 PolarHBondContact O-N 3.03Å; S600-W603 PolarHBondContact O-N 3.01Å; K601-W603 VanDerWaalsContact C-N 3.34Å; W603-T605 PolarHBondContact O-N 3.1Å; W603-L607 VanDerWaalsContact O-CB 3.24Å; W603-L607 WeakPolarHBondContact O-CB 3.38Å; W603-L607 WeakPolarHBondContact O-CG 3.49Å; W603-L607 PolarHBondContact O-N 2.96Å; W603-L664 HydrophobicContact CH2-CB 4.3Å; W603-L664 HydrophobicContact CZ3-CB 4.43Å; W603-K667 HydrophobicContact CH2-CB 3.98Å; W603-K667 HydrophobicContact CH2-CG 4.04Å; W603-K667 HydrophobicContact CZ2-CB 4.46Å; W603-K667 HydrophobicContact CZ3-CB 4.5Å; W603-K667 HydrophobicContact CZ3-CG 4.12Å; W603-R864 HydrophobicContact CB-CG 3.92Å; W603-I867 HydrophobicContact CE3-CD1 4.17Å; W603-I867 HydrophobicContact CE3-CG2 4.45Å; W603-I867 HydrophobicContact CH2-CG2 3.98Å; W603-I867 HydrophobicContact CZ2-CG2 4.05Å; W603-I867 HydrophobicContact CZ3-CD1 4.08Å; W603-I867 HydrophobicContact CZ3-CG2 4.19Å
604	E	90.8	Very high	88.3	Confident	48 Å²	48	66.5 Å²	66.5	22%	0.224	33%	0.328	C	S	.	.	H	α-helix	trans	-64.3	-41.2	-179	-69.4	172.5	-169.9	0	0	112.1	S600 K601 R608 V860 R864	S600-E604 WeakPolarHBondContact O-CG 3.44Å; S600-E604 PolarHBondContact O-N 2.93Å; S600-E604 VanDerWaalsContact O-N 3.14Å; K601-E604 PolarHBondContact O-N 3.19Å; E604-R608 WeakPolarHBondContact O-CB 3.38Å; E604-R608 PolarHBondContact O-N 2.85Å; E604-V860 HydrophobicContact CB-CG1 4.02Å; E604-V860 HydrophobicContact CG-CG1 4.08Å; E604-R864 IonicContact OE1-NE 2.64Å; E604-R864 PolarHBondContact OE1-NE 2.99Å; E604-R864 VanDerWaalsContact OE1-NE 3.12Å
605	T	91.4	Very high	88.5	Confident	69 Å²	69	65 Å²	65	42%	0.423	32%	0.316	S	S	.	.	H	α-helix	trans	-67	-49.5	176.9	51.6	0	0	0	0	111.5	K601 D602 W603 L607 R608 E609	K601-T605 WeakPolarHBondContact O-CG2 3.5Å; K601-T605 PolarHBondContact O-N 3.13Å; K601-T605 PolarHBondContact O-OG1 2.87Å; D602-T605 WeakPolarHBondContact CA-OG1 3.3Å; D602-T605 PolarHBondContact O-OG1 3.39Å; D602-T605 VanDerWaalsContact O-OG1 3.05Å; W603-T605 PolarHBondContact O-N 3.1Å; T605-L607 PolarHBondContact O-N 3.05Å; T605-R608 PolarHBondContact O-N 3.47Å; T605-E609 WeakPolarHBondContact O-CG 3.48Å; T605-E609 PolarHBondContact O-N 3.22Å
606	A	90.8	Very high	88.8	Confident	18 Å²	18	65.4 Å²	65.4	15%	0.149	32%	0.32	C	S	.	.	H	α-helix	trans	-60.7	-45.9	-180	0	0	0	0	0	112.2	D602 K610	D602-A606 VanDerWaalsContact O-CB 3.27Å; D602-A606 WeakPolarHBondContact O-CB 3.18Å; D602-A606 PolarHBondContact O-N 2.67Å; D602-A606 VanDerWaalsContact O-N 3.13Å; A606-K610 WeakPolarHBondContact O-CB 3.36Å; A606-K610 WeakPolarHBondContact O-CG 3.47Å; A606-K610 PolarHBondContact O-N 3.18Å; A606-K610 VanDerWaalsContact O-N 3.07Å
607	L	93.4	Very high	89.1	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-44.6	176.7	-71.4	171.7	0	0	0	111.4	W603 T605 E609 K610 I611 A660 A663 V860 L863 R864 I867	W603-L607 VanDerWaalsContact O-CB 3.24Å; W603-L607 WeakPolarHBondContact O-CB 3.38Å; W603-L607 WeakPolarHBondContact O-CG 3.49Å; W603-L607 PolarHBondContact O-N 2.96Å; T605-L607 PolarHBondContact O-N 3.05Å; L607-E609 PolarHBondContact O-N 2.89Å; L607-K610 PolarHBondContact O-N 3.42Å; L607-I611 HydrophobicContact CB-CD1 4.22Å; L607-I611 WeakPolarHBondContact O-CB 3.3Å; L607-I611 WeakPolarHBondContact O-CD1 3.39Å; L607-I611 WeakPolarHBondContact O-CG1 3Å; L607-I611 PolarHBondContact O-N 3.47Å; L607-A660 HydrophobicContact CD2-CB 3.91Å; L607-A663 HydrophobicContact CD2-CB 3.88Å; L607-V860 HydrophobicContact CB-CG1 4.11Å; L607-V860 HydrophobicContact CB-CG2 4.34Å; L607-L863 HydrophobicContact CD1-CB 4.21Å; L607-R864 HydrophobicContact CD1-CB 4.13Å; L607-I867 HydrophobicContact CD1-CD1 4.05Å; L607-I867 HydrophobicContact CD2-CD1 3.97Å
608	R	93.5	Very high	89.3	Confident	99 Å²	99	57.8 Å²	57.8	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-46.8	179.8	-178.8	-178.6	-71.7	160.8	0.2	111.4	E604 T605 W612 L856 N857 V860	E604-R608 WeakPolarHBondContact O-CB 3.38Å; E604-R608 PolarHBondContact O-N 2.85Å; T605-R608 PolarHBondContact O-N 3.47Å; R608-W612 WeakPolarHBondContact O-CB 3.42Å; R608-W612 PolarHBondContact O-N 2.62Å; R608-L856 HydrophobicContact CG-CD2 4.16Å; R608-N857 PolarHBondContact NE-OD1 2.88Å; R608-N857 PolarHBondContact NH2-OD1 3.24Å; R608-V860 HydrophobicContact CB-CG2 4.13Å
609	E	91.5	Very high	89.5	Confident	142 Å²	142	56.1 Å²	56.1	66%	0.664	28%	0.282	S	S	*	.	H	α-helix	trans	-64.3	-47.8	179.5	-72.7	178.8	-178.1	0	0	111.9	T605 L607 W612 K613	T605-E609 WeakPolarHBondContact O-CG 3.48Å; T605-E609 PolarHBondContact O-N 3.22Å; L607-E609 PolarHBondContact O-N 2.89Å; E609-W612 PolarHBondContact O-N 2.77Å; E609-K613 VanDerWaalsContact O-CB 3.3Å; E609-K613 WeakPolarHBondContact O-CB 3.48Å; E609-K613 PolarHBondContact O-N 2.8Å
610	K	91.6	Very high	89.5	Confident	62 Å²	62	53.7 Å²	53.7	27%	0.27	26%	0.262	S	S	.	.	H	α-helix	trans	-64.2	-47	179.8	-76.2	-81.1	-178.9	159.5	0	112.5	A606 L607 K613 R614 A659 A663 E666	A606-K610 WeakPolarHBondContact O-CB 3.36Å; A606-K610 WeakPolarHBondContact O-CG 3.47Å; A606-K610 PolarHBondContact O-N 3.18Å; A606-K610 VanDerWaalsContact O-N 3.07Å; L607-K610 PolarHBondContact O-N 3.42Å; K610-K613 PolarHBondContact O-N 2.6Å; K610-R614 PolarHBondContact O-N 3.4Å; K610-A659 HydrophobicContact CB-CB 4.49Å; K610-A663 HydrophobicContact CG-CB 4.48Å; K610-E666 WeakPolarHBondContact CE-OE2 3.38Å; K610-E666 IonicContact NZ-OE2 2.72Å; K610-E666 PolarHBondContact NZ-OE2 3.22Å
611	I	93.5	Very high	89.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-45.4	178.9	-67.2	167.1	0	0	0	109.6	L607 K613 R614 M615 A659 L856 V860 L863	L607-I611 HydrophobicContact CB-CD1 4.22Å; L607-I611 WeakPolarHBondContact O-CB 3.3Å; L607-I611 WeakPolarHBondContact O-CD1 3.39Å; L607-I611 WeakPolarHBondContact O-CG1 3Å; L607-I611 PolarHBondContact O-N 3.47Å; I611-K613 PolarHBondContact O-N 2.87Å; I611-R614 PolarHBondContact O-N 3.4Å; I611-M615 HydrophobicContact CG2-CG 4.17Å; I611-M615 HydrophobicContact CG2-SD 3.27Å; I611-M615 WeakPolarHBondContact CG2-SD 3.27Å; I611-M615 WeakPolarHBondContact O-CB 3.46Å; I611-M615 VanDerWaalsContact O-CG 3.3Å; I611-M615 WeakPolarHBondContact O-CG 2.99Å; I611-M615 PolarHBondContact O-N 3.22Å; I611-A659 HydrophobicContact CB-CB 4.49Å; I611-A659 HydrophobicContact CG1-CB 3.67Å; I611-L856 HydrophobicContact CB-CD1 4.09Å; I611-L856 HydrophobicContact CG2-CD1 3.46Å; I611-L856 VanDerWaalsContact CG2-CD1 3.46Å; I611-V860 HydrophobicContact CD1-CG2 4Å; I611-L863 HydrophobicContact CD1-CD1 3.55Å
612	W	92	Very high	89.3	Confident	24 Å²	24	53.5 Å²	53.5	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-43.7	178.8	-177.1	-111.2	0	0	0	112.5	R608 E609 R614 M615 S616 F620 F735 T739 I852 L856	R608-W612 WeakPolarHBondContact O-CB 3.42Å; R608-W612 PolarHBondContact O-N 2.62Å; E609-W612 PolarHBondContact O-N 2.77Å; W612-R614 VanDerWaalsContact C-N 3.27Å; W612-R614 PolarHBondContact O-N 2.91Å; W612-M615 PolarHBondContact O-N 2.92Å; W612-M615 VanDerWaalsContact O-N 3.16Å; W612-S616 VanDerWaalsContact O-CB 3.28Å; W612-S616 WeakPolarHBondContact O-CB 3.34Å; W612-S616 PolarHBondContact O-N 3.46Å; W612-S616 PolarHBondContact O-OG 3.23Å; W612-F620 HydrophobicContact CZ2-CE2 4.4Å; W612-F735 HydrophobicContact CD2-CZ 4.3Å; W612-F735 HydrophobicContact CE3-CE2 4.42Å; W612-F735 AromaticContact CE3-CZ 3.81Å; W612-F735 HydrophobicContact CE3-CZ 3.81Å; W612-F735 HydrophobicContact CH2-CE1 4.02Å; W612-F735 HydrophobicContact CH2-CE2 4.45Å; W612-F735 AromaticContact CH2-CZ 3.57Å; W612-F735 HydrophobicContact CH2-CZ 3.57Å; W612-F735 HydrophobicContact CZ2-CZ 4.1Å; W612-F735 HydrophobicContact CZ3-CE1 4.09Å; W612-F735 HydrophobicContact CZ3-CE2 4.37Å; W612-F735 AromaticContact CZ3-CZ 3.41Å; W612-F735 HydrophobicContact CZ3-CZ 3.41Å; W612-F735 VanDerWaalsContact CZ3-CZ 3.41Å; W612-T739 HydrophobicContact CH2-CG2 3.78Å; W612-T739 HydrophobicContact CZ2-CG2 3.09Å; W612-I852 HydrophobicContact CZ3-CG2 4.05Å; W612-L856 HydrophobicContact CE3-CD2 4.06Å
613	K	89.9	Confident	89.1	Confident	169 Å²	169	49.9 Å²	49.9	74%	0.735	24%	0.238	S	C	*	.	H	α-helix	trans	-57.9	-38.5	177.9	-172.7	176.5	-178	177.6	0	112.5	E609 K610 I611 S616	E609-K613 VanDerWaalsContact O-CB 3.3Å; E609-K613 WeakPolarHBondContact O-CB 3.48Å; E609-K613 PolarHBondContact O-N 2.8Å; K610-K613 PolarHBondContact O-N 2.6Å; I611-K613 PolarHBondContact O-N 2.87Å; K613-S616 PolarHBondContact O-OG 3.38Å
614	R	89	Confident	88.8	Confident	82 Å²	82	50.1 Å²	50.1	31%	0.309	24%	0.239	S	C	.	.	H	α-helix	trans	-78.2	-34.1	176.6	-67	-170	-179.1	-157.5	-1.7	113.1	K610 I611 W612 I655 E658 D662	K610-R614 PolarHBondContact O-N 3.4Å; I611-R614 PolarHBondContact O-N 3.4Å; W612-R614 VanDerWaalsContact C-N 3.27Å; W612-R614 PolarHBondContact O-N 2.91Å; R614-I655 HydrophobicContact CB-CG2 3.99Å; R614-E658 IonicContact NH1-OE2 3.27Å; R614-E658 PolarHBondContact NH1-OE2 3.39Å; R614-D662 IonicContact CZ-OD2 2.94Å; R614-D662 IonicContact NH2-OD1 3.12Å; R614-D662 PolarHBondContact NH2-OD1 3.45Å; R614-D662 IonicContact NH2-OD2 2.69Å; R614-D662 PolarHBondContact NH2-OD2 2.87Å
615	M	89.9	Confident	88.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-80.3	-32.1	-177.6	-77.4	175.9	59.2	0	0	113.8	I611 W612 S617 H618 V619 W647 L652 M855 L856	I611-M615 HydrophobicContact CG2-CG 4.17Å; I611-M615 HydrophobicContact CG2-SD 3.27Å; I611-M615 WeakPolarHBondContact CG2-SD 3.27Å; I611-M615 WeakPolarHBondContact O-CB 3.46Å; I611-M615 VanDerWaalsContact O-CG 3.3Å; I611-M615 WeakPolarHBondContact O-CG 2.99Å; I611-M615 PolarHBondContact O-N 3.22Å; W612-M615 PolarHBondContact O-N 2.92Å; W612-M615 VanDerWaalsContact O-N 3.16Å; M615-S617 PolarHBondContact O-N 2.62Å; M615-H618 PolarHBondContact O-N 2.94Å; M615-H618 VanDerWaalsContact O-N 3.09Å; M615-V619 WeakPolarHBondContact O-CG2 3.42Å; M615-V619 PolarHBondContact O-N 3Å; M615-W647 HydrophobicContact CB-CH2 3.94Å; M615-W647 HydrophobicContact CB-CZ2 4.33Å; M615-W647 HydrophobicContact CE-CH2 3.42Å; M615-W647 VanDerWaalsContact CE-CH2 3.42Å; M615-W647 HydrophobicContact CE-CZ2 4.38Å; M615-W647 HydrophobicContact CE-CZ3 3.83Å; M615-W647 HydrophobicContact CG-CH2 3.76Å; M615-W647 HydrophobicContact CG-CZ2 3.93Å; M615-W647 HydrophobicContact SD-CH2 4.3Å; M615-L652 HydrophobicContact CE-CD1 3.75Å; M615-L652 HydrophobicContact CG-CD1 4.09Å; M615-L652 HydrophobicContact SD-CD1 3.69Å; M615-M855 HydrophobicContact CE-CE 3.2Å; M615-L856 HydrophobicContact SD-CD1 4.24Å
616	S	88	Confident	87.9	Confident	14 Å²	14	47.7 Å²	47.7	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-56.8	-48.8	-168.7	64.8	0	0	0	0	112.3	W612 K613 H618 V619 F620	W612-S616 VanDerWaalsContact O-CB 3.28Å; W612-S616 WeakPolarHBondContact O-CB 3.34Å; W612-S616 PolarHBondContact O-N 3.46Å; W612-S616 PolarHBondContact O-OG 3.23Å; K613-S616 PolarHBondContact O-OG 3.38Å; S616-H618 PolarHBondContact O-N 3.42Å; S616-V619 PolarHBondContact O-N 3.48Å; S616-V619 VanDerWaalsContact O-N 3.13Å; S616-F620 WeakPolarHBondContact O-CD2 2.98Å; S616-F620 PolarHBondContact O-N 3.26Å
617	S	85.1	Confident	87.4	Confident	63 Å²	63	46.9 Å²	46.9	44%	0.441	22%	0.219	S	C	.	.	H	α-helix	trans	-56.6	-46.8	175.9	164.2	0	0	0	0	112	M615 V619 F620 D621	M615-S617 PolarHBondContact O-N 2.62Å; S617-V619 VanDerWaalsContact C-N 3.32Å; S617-V619 PolarHBondContact O-N 3.44Å; S617-F620 PolarHBondContact O-N 2.75Å; S617-D621 VanDerWaalsContact O-CB 3.25Å; S617-D621 WeakPolarHBondContact O-CB 3.46Å; S617-D621 VanDerWaalsContact O-CG 3.24Å; S617-D621 PolarHBondContact O-N 3.47Å; S617-D621 VanDerWaalsContact O-OD2 3.1Å; S617-D621 PolarHBondContact OG-OD2 3.45Å
618	H	86.6	Confident	86.6	Confident	38 Å²	38	48.3 Å²	48.3	18%	0.176	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-36.9	178.4	-167	-65.9	0	0	0	112.6	M615 S616 K622 L623 W647	M615-H618 PolarHBondContact O-N 2.94Å; M615-H618 VanDerWaalsContact O-N 3.09Å; S616-H618 PolarHBondContact O-N 3.42Å; H618-K622 VanDerWaalsContact NE2-CD 3.26Å; H618-K622 WeakPolarHBondContact NE2-CD 3.41Å; H618-K622 WeakPolarHBondContact O-CB 3.47Å; H618-K622 PolarHBondContact O-N 3.44Å; H618-K622 VanDerWaalsContact O-N 3.12Å; H618-L623 PolarHBondContact O-N 3.35Å; H618-W647 HydrophobicContact CB-CZ2 3.99Å; H618-W647 AromaticContact CD2-NE1 3.67Å; H618-W647 AromaticContact CE1-CD1 3.35Å; H618-W647 AromaticContact CE1-CD2 3.89Å; H618-W647 AromaticContact CE1-CE2 3.82Å; H618-W647 AromaticContact CE1-CG 3.6Å; H618-W647 AromaticContact CE1-NE1 3.52Å; H618-W647 AromaticContact CG-CE2 3.81Å; H618-W647 AromaticContact CG-CZ2 3.93Å; H618-W647 AromaticContact CG-NE1 3.75Å; H618-W647 AromaticContact ND1-CD1 3.9Å; H618-W647 AromaticContact ND1-CD2 3.81Å; H618-W647 AromaticContact ND1-CE2 3.54Å; H618-W647 AromaticContact ND1-CZ2 3.92Å; H618-W647 AromaticContact ND1-NE1 3.65Å; H618-W647 AromaticContact NE2-CD1 3.51Å; H618-W647 AromaticContact NE2-NE1 3.56Å
619	V	86.9	Confident	85.8	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	24%	0.241	C	C	.	.	I	π-helix	trans	-64.7	-46.8	178.1	171.7	0	0	0	0	110.9	M615 S616 S617 L623 Y624 W647 I852	M615-V619 WeakPolarHBondContact O-CG2 3.42Å; M615-V619 PolarHBondContact O-N 3Å; S616-V619 PolarHBondContact O-N 3.48Å; S616-V619 VanDerWaalsContact O-N 3.13Å; S617-V619 VanDerWaalsContact C-N 3.32Å; S617-V619 PolarHBondContact O-N 3.44Å; V619-L623 HydrophobicContact CG2-CD1 4.3Å; V619-L623 WeakPolarHBondContact O-CA 3.33Å; V619-L623 VanDerWaalsContact O-CB 3.25Å; V619-L623 WeakPolarHBondContact O-CB 3.41Å; V619-L623 PolarHBondContact O-N 2.94Å; V619-Y624 PolarHBondContact O-N 3.39Å; V619-W647 HydrophobicContact CG2-CH2 3.72Å; V619-W647 HydrophobicContact CG2-CZ3 3.87Å; V619-I852 HydrophobicContact CG1-CD1 3.72Å; V619-I852 HydrophobicContact CG2-CD1 4.48Å
620	F	85.4	Confident	85.1	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.009	23%	0.23	C	C	.	.	I	π-helix	trans	-74.6	-50.7	-179.1	-72.9	-80	0	0	0	111.9	W612 S616 S617 Y624 F625 V740 Q743 L816 F849	W612-F620 HydrophobicContact CZ2-CE2 4.4Å; S616-F620 WeakPolarHBondContact O-CD2 2.98Å; S616-F620 PolarHBondContact O-N 3.26Å; S617-F620 PolarHBondContact O-N 2.75Å; F620-Y624 HydrophobicContact CD1-CD1 4.09Å; F620-Y624 HydrophobicContact CE1-CD1 4.28Å; F620-F625 HydrophobicContact CB-CD2 4.37Å; F620-F625 HydrophobicContact CB-CE2 3.79Å; F620-F625 HydrophobicContact CB-CZ 4.04Å; F620-F625 HydrophobicContact CD1-CZ 4.33Å; F620-F625 WeakPolarHBondContact O-CD2 3.41Å; F620-F625 VanDerWaalsContact O-CG 3.32Å; F620-F625 WeakPolarHBondContact O-CG 3.38Å; F620-F625 PolarHBondContact O-N 3.5Å; F620-V740 HydrophobicContact CE1-CG2 4.15Å; F620-V740 HydrophobicContact CZ-CG2 4.39Å; F620-Q743 HydrophobicContact CD1-CG 4.31Å; F620-Q743 HydrophobicContact CD2-CG 3.42Å; F620-Q743 VanDerWaalsContact CD2-CG 3.42Å; F620-Q743 HydrophobicContact CE1-CG 4.21Å; F620-Q743 HydrophobicContact CE2-CB 4.47Å; F620-Q743 HydrophobicContact CE2-CG 3.33Å; F620-Q743 HydrophobicContact CG-CG 3.95Å; F620-Q743 HydrophobicContact CZ-CB 4.48Å; F620-Q743 HydrophobicContact CZ-CG 3.75Å; F620-L816 HydrophobicContact CD1-CD2 4.35Å; F620-L816 HydrophobicContact CE1-CD2 4.3Å; F620-F849 HydrophobicContact CE1-CZ 4.02Å; F620-F849 HydrophobicContact CZ-CE1 4.12Å; F620-F849 HydrophobicContact CZ-CZ 4.1Å
621	D	82.4	Confident	83.9	Confident	83 Å²	83	51.6 Å²	51.6	44%	0.444	26%	0.258	S	S	.	.	I	π-helix	trans	-71.5	-37.2	-171.2	-61.2	-32.2	0	0	0	113.4	S617 P626	S617-D621 VanDerWaalsContact O-CB 3.25Å; S617-D621 WeakPolarHBondContact O-CB 3.46Å; S617-D621 VanDerWaalsContact O-CG 3.24Å; S617-D621 PolarHBondContact O-N 3.47Å; S617-D621 VanDerWaalsContact O-OD2 3.1Å; S617-D621 PolarHBondContact OG-OD2 3.45Å; D621-P626 VanDerWaalsContact O-CD 3.31Å; D621-P626 WeakPolarHBondContact O-CD 3.47Å; D621-P626 WeakPolarHBondContact O-CG 3.41Å
622	K	84.2	Confident	83.1	Confident	126 Å²	126	54.5 Å²	54.5	55%	0.548	28%	0.279	S	S	.	.	I	π-helix	trans	-108.9	-28.1	-173	-65.1	177.4	179.1	-178.3	0	114.2	H618	H618-K622 VanDerWaalsContact NE2-CD 3.26Å; H618-K622 WeakPolarHBondContact NE2-CD 3.41Å; H618-K622 WeakPolarHBondContact O-CB 3.47Å; H618-K622 PolarHBondContact O-N 3.44Å; H618-K622 VanDerWaalsContact O-N 3.12Å
623	L	84.9	Confident	82.4	Confident	5 Å²	5	56 Å²	56	3%	0.026	29%	0.288	C	S	.	.	I	π-helix	trans	-97.9	-60.8	179.6	-57.9	173.4	0	0	0	111.5	H618 V619 A627 K643 L644 W647	H618-L623 PolarHBondContact O-N 3.35Å; V619-L623 HydrophobicContact CG2-CD1 4.3Å; V619-L623 WeakPolarHBondContact O-CA 3.33Å; V619-L623 VanDerWaalsContact O-CB 3.25Å; V619-L623 WeakPolarHBondContact O-CB 3.41Å; V619-L623 PolarHBondContact O-N 2.94Å; L623-A627 WeakPolarHBondContact O-CB 3.31Å; L623-A627 PolarHBondContact O-N 3.12Å; L623-K643 HydrophobicContact CD2-CB 3.46Å; L623-K643 VanDerWaalsContact CD2-CB 3.46Å; L623-L644 HydrophobicContact CD1-CD1 3.89Å; L623-L644 HydrophobicContact CD2-CB 4.49Å; L623-W647 HydrophobicContact CD1-CE3 3.75Å; L623-W647 HydrophobicContact CD1-CZ3 3.89Å
624	Y	84.3	Confident	81.9	Confident	8 Å²	8	50 Å²	50	3%	0.031	27%	0.274	C	S	.	.	I	π-helix	trans	-78.6	-54.3	-165.7	-166.8	-120.6	0	0	0	113.4	V619 F620 A627 A628 F636 F815 A819 S845 F849	V619-Y624 PolarHBondContact O-N 3.39Å; F620-Y624 HydrophobicContact CD1-CD1 4.09Å; F620-Y624 HydrophobicContact CE1-CD1 4.28Å; Y624-A627 PolarHBondContact O-N 3Å; Y624-A628 VanDerWaalsContact O-CB 3.32Å; Y624-A628 WeakPolarHBondContact O-CB 3.38Å; Y624-A628 PolarHBondContact O-N 2.95Å; Y624-F636 HydrophobicContact CE2-CZ 4.38Å; Y624-F815 AromaticContact CD1-CE1 3.63Å; Y624-F815 HydrophobicContact CD1-CE1 3.63Å; Y624-F815 HydrophobicContact CD1-CZ 4.09Å; Y624-F815 AromaticContact CE1-CE1 3.32Å; Y624-F815 HydrophobicContact CE1-CE1 3.32Å; Y624-F815 AromaticContact CE1-CZ 3.61Å; Y624-F815 HydrophobicContact CE1-CZ 3.61Å; Y624-A819 HydrophobicContact CE1-CB 4.19Å; Y624-S845 PolarHBondContact OH-OG 2.78Å; Y624-F849 HydrophobicContact CD2-CE2 4.1Å; Y624-F849 HydrophobicContact CE1-CE2 4.38Å; Y624-F849 AromaticContact CE2-CE2 3.84Å; Y624-F849 HydrophobicContact CE2-CE2 3.84Å
625	F	82.5	Confident	81.6	Confident	19 Å²	19	47.5 Å²	47.5	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-46.6	-179.9	-57.9	-47.5	0	0	0	112.4	F620 A627 A628 F815 L816	F620-F625 HydrophobicContact CB-CD2 4.37Å; F620-F625 HydrophobicContact CB-CE2 3.79Å; F620-F625 HydrophobicContact CB-CZ 4.04Å; F620-F625 HydrophobicContact CD1-CZ 4.33Å; F620-F625 WeakPolarHBondContact O-CD2 3.41Å; F620-F625 VanDerWaalsContact O-CG 3.32Å; F620-F625 WeakPolarHBondContact O-CG 3.38Å; F620-F625 PolarHBondContact O-N 3.5Å; F625-A627 VanDerWaalsContact C-N 3.28Å; F625-A627 PolarHBondContact O-N 2.95Å; F625-A628 PolarHBondContact O-N 2.79Å; F625-F815 AromaticContact CD1-CD1 3.52Å; F625-F815 HydrophobicContact CD1-CD1 3.52Å; F625-F815 AromaticContact CD1-CE1 3.55Å; F625-F815 HydrophobicContact CD1-CE1 3.55Å; F625-F815 HydrophobicContact CD1-CG 4.45Å; F625-F815 AromaticContact CE1-CD1 3.54Å; F625-F815 HydrophobicContact CE1-CD1 3.54Å; F625-F815 AromaticContact CE1-CE1 3.82Å; F625-F815 HydrophobicContact CE1-CE1 3.82Å; F625-L816 HydrophobicContact CE1-CD2 4.02Å; F625-L816 HydrophobicContact CE1-CG 4.23Å; F625-L816 HydrophobicContact CZ-CD2 4.19Å; F625-L816 HydrophobicContact CZ-CG 4.37Å
626	P	80.8	Confident	81.4	Confident	47 Å²	47	48.4 Å²	48.4	31%	0.305	28%	0.275	S	S	.	.	H	α-helix	trans	-69.6	-24.3	-179	-25.3	39.8	0	0	0	113.9	D621 K643	D621-P626 VanDerWaalsContact O-CD 3.31Å; D621-P626 WeakPolarHBondContact O-CD 3.47Å; D621-P626 WeakPolarHBondContact O-CG 3.41Å; P626-K643 VanDerWaalsContact CB-NZ 3.29Å
627	A	81	Confident	81.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-80.2	-33.4	175.3	0	0	0	0	0	111.9	L623 Y624 F625 V629 E630 F636 I640	L623-A627 WeakPolarHBondContact O-CB 3.31Å; L623-A627 PolarHBondContact O-N 3.12Å; Y624-A627 PolarHBondContact O-N 3Å; F625-A627 VanDerWaalsContact C-N 3.28Å; F625-A627 PolarHBondContact O-N 2.95Å; A627-V629 PolarHBondContact O-N 3.23Å; A627-E630 VanDerWaalsContact O-CB 3.31Å; A627-E630 WeakPolarHBondContact O-CB 3.3Å; A627-E630 VanDerWaalsContact O-CG 3.26Å; A627-E630 WeakPolarHBondContact O-CG 3.41Å; A627-E630 PolarHBondContact O-N 2.76Å; A627-F636 HydrophobicContact CB-CD2 3.9Å; A627-F636 HydrophobicContact CB-CE2 4.03Å; A627-F636 WeakPolarHBondContact O-CD2 3.29Å; A627-I640 HydrophobicContact CB-CD1 3.74Å; A627-I640 HydrophobicContact CB-CG1 3.34Å
628	A	75.6	Confident	81.3	Confident	30 Å²	30	50.9 Å²	50.9	25%	0.248	29%	0.287	C	S	.	.	H	α-helix	trans	-75.3	-8.2	-174.8	0	0	0	0	0	114.8	Y624 F625 E630 F636 F815	Y624-A628 VanDerWaalsContact O-CB 3.32Å; Y624-A628 WeakPolarHBondContact O-CB 3.38Å; Y624-A628 PolarHBondContact O-N 2.95Å; F625-A628 PolarHBondContact O-N 2.79Å; A628-E630 VanDerWaalsContact C-N 3.3Å; A628-F636 HydrophobicContact CB-CE2 4.48Å; A628-F815 HydrophobicContact CB-CD2 4.49Å; A628-F815 HydrophobicContact CB-CE1 4.31Å; A628-F815 HydrophobicContact CB-CE2 3.29Å; A628-F815 HydrophobicContact CB-CZ 3.16Å
629	V	76	Confident	81.3	Confident	96 Å²	96	49.9 Å²	49.9	58%	0.582	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-20.2	171.1	179.7	0	0	0	0	111.7	A627	A627-V629 PolarHBondContact O-N 3.23Å
630	E	77.3	Confident	81.3	Confident	92 Å²	92	49.9 Å²	49.9	43%	0.43	28%	0.284	S	S	.	.			trans	-68.1	133.7	-176.9	-60.7	-73.4	176.6	0	0	112.3	A627 A628 S632 A635	A627-E630 VanDerWaalsContact O-CB 3.31Å; A627-E630 WeakPolarHBondContact O-CB 3.3Å; A627-E630 VanDerWaalsContact O-CG 3.26Å; A627-E630 WeakPolarHBondContact O-CG 3.41Å; A627-E630 PolarHBondContact O-N 2.76Å; A628-E630 VanDerWaalsContact C-N 3.3Å; E630-S632 PolarHBondContact O-N 2.62Å; E630-A635 HydrophobicContact CB-CB 3.98Å; E630-A635 HydrophobicContact CG-CB 4.35Å
631	E	67	Low	81.4	Confident	184 Å²	184	51 Å²	51	86%	0.86	29%	0.29	S	S	*	.	S	Bend	trans	-73.9	-22.5	-172.9	-63	-174.2	166.4	0	0	114.4
632	S	77.1	Confident	81.7	Confident	62 Å²	62	51.9 Å²	51.9	43%	0.434	29%	0.294	S	S	.	.	S	Bend	trans	-116.5	142.7	-176.2	76.6	0	0	0	0	112.4	E630 G634 A635 F636	E630-S632 PolarHBondContact O-N 2.62Å; S632-G634 PolarHBondContact O-N 3.36Å; S632-A635 PolarHBondContact O-N 3.11Å; S632-A635 WeakPolarHBondContact OG-CB 3.35Å; S632-A635 PolarHBondContact OG-N 3.5Å; S632-F636 PolarHBondContact O-N 3.06Å
633	I	77.5	Confident	82	Confident	56 Å²	56	48.8 Å²	48.8	29%	0.287	28%	0.28	S	S	.	.	H	α-helix	trans	-58.2	-36.2	176.7	-57.6	173.2	0	0	0	110.9	T637 L838 A841 A844	I633-T637 HydrophobicContact CG2-CG2 4.49Å; I633-T637 WeakPolarHBondContact O-CB 3.48Å; I633-T637 WeakPolarHBondContact O-CG2 3.23Å; I633-T637 PolarHBondContact O-N 3.06Å; I633-T637 PolarHBondContact O-OG1 2.97Å; I633-L838 WeakPolarHBondContact CD1-O 3.46Å; I633-A841 HydrophobicContact CD1-CB 4.33Å; I633-A841 HydrophobicContact CG1-CB 4.08Å; I633-A844 HydrophobicContact CG2-CB 4.15Å
634	G	78.7	Confident	82.2	Confident	42 Å²	42	48.6 Å²	48.6	43%	0.433	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-42.4	174.9	0	0	0	0	0	113	S632 T637 T638	S632-G634 PolarHBondContact O-N 3.36Å; G634-T637 PolarHBondContact O-OG1 3.15Å; G634-T638 VanDerWaalsContact O-CB 3.31Å; G634-T638 WeakPolarHBondContact O-CB 3.21Å; G634-T638 PolarHBondContact O-N 2.88Å; G634-T638 PolarHBondContact O-OG1 3.18Å
635	A	83	Confident	82.4	Confident	30 Å²	30	54.2 Å²	54.2	25%	0.248	30%	0.304	C	S	.	.	H	α-helix	trans	-68	-43	175.2	0	0	0	0	0	111.7	E630 S632 T637 T638 S639	E630-A635 HydrophobicContact CB-CB 3.98Å; E630-A635 HydrophobicContact CG-CB 4.35Å; S632-A635 PolarHBondContact O-N 3.11Å; S632-A635 WeakPolarHBondContact OG-CB 3.35Å; S632-A635 PolarHBondContact OG-N 3.5Å; A635-T637 PolarHBondContact O-N 3.35Å; A635-T638 PolarHBondContact O-N 3.11Å; A635-S639 WeakPolarHBondContact O-CB 3.48Å; A635-S639 PolarHBondContact O-N 3.39Å
636	F	84.8	Confident	82.8	Confident	18 Å²	18	61.7 Å²	61.7	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-54.7	-54.1	174.5	171.3	-96.5	0	0	0	111.7	Y624 A627 A628 S632 T638 S639 I640 A844 V848	Y624-F636 HydrophobicContact CE2-CZ 4.38Å; A627-F636 HydrophobicContact CB-CD2 3.9Å; A627-F636 HydrophobicContact CB-CE2 4.03Å; A627-F636 WeakPolarHBondContact O-CD2 3.29Å; A628-F636 HydrophobicContact CB-CE2 4.48Å; S632-F636 PolarHBondContact O-N 3.06Å; F636-T638 PolarHBondContact O-N 2.98Å; F636-S639 PolarHBondContact O-N 2.7Å; F636-I640 HydrophobicContact CD1-CD1 4.02Å; F636-I640 HydrophobicContact CD2-CD1 4.01Å; F636-I640 HydrophobicContact CE1-CD1 3.5Å; F636-I640 VanDerWaalsContact CE1-CD1 3.5Å; F636-I640 HydrophobicContact CE2-CD1 3.48Å; F636-I640 VanDerWaalsContact CE2-CD1 3.48Å; F636-I640 HydrophobicContact CG-CD1 4.26Å; F636-I640 HydrophobicContact CZ-CD1 3.2Å; F636-I640 WeakPolarHBondContact O-CG1 3.35Å; F636-I640 PolarHBondContact O-N 2.7Å; F636-A844 HydrophobicContact CD1-CB 3.97Å; F636-A844 HydrophobicContact CE1-CB 3.78Å; F636-V848 HydrophobicContact CE1-CG2 3.94Å; F636-V848 HydrophobicContact CZ-CG2 4.2Å
637	T	83.9	Confident	83.3	Confident	54 Å²	54	59.9 Å²	59.9	33%	0.331	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-42.1	-178.8	48.8	0	0	0	0	112.2	I633 G634 A635 I640 D641	I633-T637 HydrophobicContact CG2-CG2 4.49Å; I633-T637 WeakPolarHBondContact O-CB 3.48Å; I633-T637 WeakPolarHBondContact O-CG2 3.23Å; I633-T637 PolarHBondContact O-N 3.06Å; I633-T637 PolarHBondContact O-OG1 2.97Å; G634-T637 PolarHBondContact O-OG1 3.15Å; A635-T637 PolarHBondContact O-N 3.35Å; T637-I640 PolarHBondContact O-N 3.45Å; T637-D641 WeakPolarHBondContact O-CB 3.42Å; T637-D641 PolarHBondContact O-N 2.75Å
638	T	86.6	Confident	83.7	Confident	75 Å²	75	60 Å²	60	46%	0.46	32%	0.319	S	S	.	.	H	α-helix	trans	-66.6	-42	177.7	-55.2	0	0	0	0	111.9	G634 A635 F636 I640 D641 I642	G634-T638 VanDerWaalsContact O-CB 3.31Å; G634-T638 WeakPolarHBondContact O-CB 3.21Å; G634-T638 PolarHBondContact O-N 2.88Å; G634-T638 PolarHBondContact O-OG1 3.18Å; A635-T638 PolarHBondContact O-N 3.11Å; F636-T638 PolarHBondContact O-N 2.98Å; T638-I640 VanDerWaalsContact C-N 3.34Å; T638-I640 PolarHBondContact O-N 2.82Å; T638-D641 PolarHBondContact O-N 2.84Å; T638-I642 HydrophobicContact CG2-CD1 3.89Å; T638-I642 HydrophobicContact CG2-CG1 4.44Å; T638-I642 VanDerWaalsContact O-CG1 3.28Å; T638-I642 WeakPolarHBondContact O-CG1 3.3Å; T638-I642 PolarHBondContact O-N 3.36Å
639	S	87.1	Confident	84.3	Confident	17 Å²	17	61.3 Å²	61.3	12%	0.119	32%	0.322	C	S	.	.	H	α-helix	trans	-61	-43.8	177	-170.4	0	0	0	0	110.8	A635 F636 K643	A635-S639 WeakPolarHBondContact O-CB 3.48Å; A635-S639 PolarHBondContact O-N 3.39Å; F636-S639 PolarHBondContact O-N 2.7Å; S639-K643 WeakPolarHBondContact O-CB 3.29Å; S639-K643 WeakPolarHBondContact O-CG 3.38Å; S639-K643 PolarHBondContact O-N 3.34Å; S639-K643 WeakPolarHBondContact OG-CE 3.19Å; S639-K643 PolarHBondContact OG-NZ 2.84Å; S639-K643 VanDerWaalsContact OG-NZ 3.14Å
640	I	87.6	Confident	84.9	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-66.4	-45.6	175.6	-68.2	176.4	0	0	0	111.2	A627 F636 T637 T638 I642 K643 L644 V848	A627-I640 HydrophobicContact CB-CD1 3.74Å; A627-I640 HydrophobicContact CB-CG1 3.34Å; F636-I640 HydrophobicContact CD1-CD1 4.02Å; F636-I640 HydrophobicContact CD2-CD1 4.01Å; F636-I640 HydrophobicContact CE1-CD1 3.5Å; F636-I640 VanDerWaalsContact CE1-CD1 3.5Å; F636-I640 HydrophobicContact CE2-CD1 3.48Å; F636-I640 VanDerWaalsContact CE2-CD1 3.48Å; F636-I640 HydrophobicContact CG-CD1 4.26Å; F636-I640 HydrophobicContact CZ-CD1 3.2Å; F636-I640 WeakPolarHBondContact O-CG1 3.35Å; F636-I640 PolarHBondContact O-N 2.7Å; T637-I640 PolarHBondContact O-N 3.45Å; T638-I640 VanDerWaalsContact C-N 3.34Å; T638-I640 PolarHBondContact O-N 2.82Å; I640-I642 VanDerWaalsContact C-N 3.35Å; I640-I642 PolarHBondContact O-N 2.95Å; I640-K643 PolarHBondContact O-N 3.34Å; I640-L644 HydrophobicContact CG2-CB 4.5Å; I640-L644 WeakPolarHBondContact O-CA 3.33Å; I640-L644 WeakPolarHBondContact O-CB 3.39Å; I640-L644 PolarHBondContact O-N 3.43Å; I640-V848 HydrophobicContact CD1-CB 4.37Å; I640-V848 HydrophobicContact CD1-CG1 4.07Å; I640-V848 HydrophobicContact CD1-CG2 3.51Å; I640-V848 HydrophobicContact CG2-CG1 3.9Å; I640-V848 HydrophobicContact CG2-CG2 4.07Å
641	D	87.2	Confident	85.5	Confident	26 Å²	26	59.7 Å²	59.7	14%	0.139	32%	0.319	C	S	.	.	H	α-helix	trans	-60	-44.9	-180	-81.6	-21	0	0	0	112.2	T637 T638 K645 R721 R851	T637-D641 WeakPolarHBondContact O-CB 3.42Å; T637-D641 PolarHBondContact O-N 2.75Å; T638-D641 PolarHBondContact O-N 2.84Å; D641-K645 WeakPolarHBondContact O-CB 3.27Å; D641-K645 PolarHBondContact O-N 2.74Å; D641-R721 IonicContact OD2-CZ 3.33Å; D641-R721 IonicContact OD2-NE 3.42Å; D641-R721 PolarHBondContact OD2-NE 3.23Å; D641-R721 IonicContact OD2-NH2 2.67Å; D641-R721 PolarHBondContact OD2-NH2 2.85Å; D641-R851 IonicContact OD1-CZ 3.2Å; D641-R851 IonicContact OD1-NH1 2.67Å; D641-R851 PolarHBondContact OD1-NH1 3.06Å; D641-R851 IonicContact OD1-NH2 2.84Å; D641-R851 PolarHBondContact OD1-NH2 2.9Å
642	I	89	Confident	86.7	Confident	100 Å²	100	51 Å²	51	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-51.7	176.6	-67.4	167.5	0	0	0	109.8	T638 I640 R646	T638-I642 HydrophobicContact CG2-CD1 3.89Å; T638-I642 HydrophobicContact CG2-CG1 4.44Å; T638-I642 VanDerWaalsContact O-CG1 3.28Å; T638-I642 WeakPolarHBondContact O-CG1 3.3Å; T638-I642 PolarHBondContact O-N 3.36Å; I640-I642 VanDerWaalsContact C-N 3.35Å; I640-I642 PolarHBondContact O-N 2.95Å; I642-R646 WeakPolarHBondContact O-CB 3.48Å; I642-R646 PolarHBondContact O-N 3.27Å
643	K	89.3	Confident	87.3	Confident	62 Å²	62	48.1 Å²	48.1	27%	0.27	26%	0.258	S	S	.	.	H	α-helix	trans	-69.4	-38.8	-174.7	-66.3	171	-177.6	167.1	0	112.5	L623 P626 S639 I640 R646 W647	L623-K643 HydrophobicContact CD2-CB 3.46Å; L623-K643 VanDerWaalsContact CD2-CB 3.46Å; P626-K643 VanDerWaalsContact CB-NZ 3.29Å; S639-K643 WeakPolarHBondContact O-CB 3.29Å; S639-K643 WeakPolarHBondContact O-CG 3.38Å; S639-K643 PolarHBondContact O-N 3.34Å; S639-K643 WeakPolarHBondContact OG-CE 3.19Å; S639-K643 PolarHBondContact OG-NZ 2.84Å; S639-K643 VanDerWaalsContact OG-NZ 3.14Å; I640-K643 PolarHBondContact O-N 3.34Å; K643-R646 PolarHBondContact O-N 3.35Å; K643-W647 WeakPolarHBondContact O-CB 3.29Å; K643-W647 PolarHBondContact O-N 3.39Å
644	L	89.4	Confident	88	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-46.2	178.1	-173.1	65.7	0	0	0	110.6	L623 I640 R646 W647 V648 I718	L623-L644 HydrophobicContact CD1-CD1 3.89Å; L623-L644 HydrophobicContact CD2-CB 4.49Å; I640-L644 HydrophobicContact CG2-CB 4.5Å; I640-L644 WeakPolarHBondContact O-CA 3.33Å; I640-L644 WeakPolarHBondContact O-CB 3.39Å; I640-L644 PolarHBondContact O-N 3.43Å; L644-R646 PolarHBondContact O-N 2.87Å; L644-W647 HydrophobicContact CD1-CE3 4.09Å; L644-W647 PolarHBondContact O-N 3.45Å; L644-V648 WeakPolarHBondContact O-CG2 3.32Å; L644-V648 PolarHBondContact O-N 3.42Å; L644-I718 HydrophobicContact CD1-CD1 4.46Å; L644-I718 HydrophobicContact CD2-CB 4.49Å; L644-I718 HydrophobicContact CD2-CD1 4.43Å; L644-I718 HydrophobicContact CD2-CG1 4.38Å; L644-I718 HydrophobicContact CD2-CG2 3.36Å; L644-I718 HydrophobicContact CG-CD1 4.19Å; L644-I718 HydrophobicContact CG-CG2 3.88Å
645	K	89.2	Confident	88.6	Confident	126 Å²	126	47.2 Å²	47.2	55%	0.548	25%	0.249	S	C	.	.	H	α-helix	trans	-60.6	-45.7	174.6	-173.1	168.3	-175.2	167.1	0	111.6	D641 W647 V648 D649	D641-K645 WeakPolarHBondContact O-CB 3.27Å; D641-K645 PolarHBondContact O-N 2.74Å; K645-W647 VanDerWaalsContact C-N 3.25Å; K645-W647 PolarHBondContact O-N 2.88Å; K645-V648 PolarHBondContact O-N 2.92Å; K645-D649 PolarHBondContact O-N 3.3Å
646	R	91.7	Very high	89.1	Confident	176 Å²	176	45.9 Å²	45.9	66%	0.664	24%	0.238	S	C	*	.	H	α-helix	trans	-60	-35.6	175.8	-134.7	177	-168.8	166.1	2.8	112.5	I642 K643 L644 N650	I642-R646 WeakPolarHBondContact O-CB 3.48Å; I642-R646 PolarHBondContact O-N 3.27Å; K643-R646 PolarHBondContact O-N 3.35Å; L644-R646 PolarHBondContact O-N 2.87Å; R646-N650 WeakPolarHBondContact O-CB 3.49Å; R646-N650 PolarHBondContact O-N 3.34Å; R646-N650 PolarHBondContact O-ND2 2.89Å
647	W	90.7	Very high	89.4	Confident	8 Å²	8	45.7 Å²	45.7	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-71.2	-41.7	178.6	-174.7	40.9	0	0	0	112	M615 H618 V619 L623 K643 L644 K645 N650 A651 L652	M615-W647 HydrophobicContact CB-CH2 3.94Å; M615-W647 HydrophobicContact CB-CZ2 4.33Å; M615-W647 HydrophobicContact CE-CH2 3.42Å; M615-W647 VanDerWaalsContact CE-CH2 3.42Å; M615-W647 HydrophobicContact CE-CZ2 4.38Å; M615-W647 HydrophobicContact CE-CZ3 3.83Å; M615-W647 HydrophobicContact CG-CH2 3.76Å; M615-W647 HydrophobicContact CG-CZ2 3.93Å; M615-W647 HydrophobicContact SD-CH2 4.3Å; H618-W647 HydrophobicContact CB-CZ2 3.99Å; H618-W647 AromaticContact CD2-NE1 3.67Å; H618-W647 AromaticContact CE1-CD1 3.35Å; H618-W647 AromaticContact CE1-CD2 3.89Å; H618-W647 AromaticContact CE1-CE2 3.82Å; H618-W647 AromaticContact CE1-CG 3.6Å; H618-W647 AromaticContact CE1-NE1 3.52Å; H618-W647 AromaticContact CG-CE2 3.81Å; H618-W647 AromaticContact CG-CZ2 3.93Å; H618-W647 AromaticContact CG-NE1 3.75Å; H618-W647 AromaticContact ND1-CD1 3.9Å; H618-W647 AromaticContact ND1-CD2 3.81Å; H618-W647 AromaticContact ND1-CE2 3.54Å; H618-W647 AromaticContact ND1-CZ2 3.92Å; H618-W647 AromaticContact ND1-NE1 3.65Å; H618-W647 AromaticContact NE2-CD1 3.51Å; H618-W647 AromaticContact NE2-NE1 3.56Å; V619-W647 HydrophobicContact CG2-CH2 3.72Å; V619-W647 HydrophobicContact CG2-CZ3 3.87Å; L623-W647 HydrophobicContact CD1-CE3 3.75Å; L623-W647 HydrophobicContact CD1-CZ3 3.89Å; K643-W647 WeakPolarHBondContact O-CB 3.29Å; K643-W647 PolarHBondContact O-N 3.39Å; L644-W647 HydrophobicContact CD1-CE3 4.09Å; L644-W647 PolarHBondContact O-N 3.45Å; K645-W647 VanDerWaalsContact C-N 3.25Å; K645-W647 PolarHBondContact O-N 2.88Å; W647-N650 PolarHBondContact O-N 2.94Å; W647-A651 PolarHBondContact O-N 3.33Å; W647-L652 HydrophobicContact CD2-CB 4.14Å; W647-L652 HydrophobicContact CD2-CD1 4.32Å; W647-L652 HydrophobicContact CE3-CD1 4.35Å; W647-L652 HydrophobicContact CE3-CD2 4.48Å; W647-L652 HydrophobicContact CG-CB 4.32Å; W647-L652 HydrophobicContact CH2-CD1 3.77Å; W647-L652 HydrophobicContact CZ2-CD1 3.67Å; W647-L652 HydrophobicContact CZ3-CD1 4.09Å; W647-L652 WeakPolarHBondContact O-CB 3.42Å; W647-L652 PolarHBondContact O-N 3.45Å
648	V	90	Very high	89.7	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-66.9	-39.8	179.3	174.5	0	0	0	0	112.2	L644 K645 L652 P653 Q714 I718 M855	L644-V648 WeakPolarHBondContact O-CG2 3.32Å; L644-V648 PolarHBondContact O-N 3.42Å; K645-V648 PolarHBondContact O-N 2.92Å; V648-L652 HydrophobicContact CB-CD2 4.46Å; V648-L652 HydrophobicContact CG2-CD2 3.72Å; V648-P653 WeakPolarHBondContact O-CD 3.49Å; V648-P653 WeakPolarHBondContact O-CG 3.48Å; V648-Q714 HydrophobicContact CG1-CB 3.64Å; V648-I718 HydrophobicContact CB-CD1 4.25Å; V648-I718 HydrophobicContact CG1-CD1 4.31Å; V648-I718 HydrophobicContact CG2-CD1 3.1Å; V648-M855 HydrophobicContact CG2-SD 4.44Å
649	D	88.3	Confident	90	Very high	57 Å²	57	44.6 Å²	44.6	31%	0.305	22%	0.224	S	C	.	.	H	α-helix	trans	-70	-35.1	179.4	-71.3	-28.6	0	0	0	112.2	K645 R711	K645-D649 PolarHBondContact O-N 3.3Å; D649-R711 VanDerWaalsContact O-CZ 3.26Å; D649-R711 PolarHBondContact O-NE 3.43Å; D649-R711 PolarHBondContact O-NH2 3.23Å
650	N	88.5	Confident	90.2	Very high	116 Å²	116	43.8 Å²	43.8	62%	0.62	22%	0.218	S	C	*	.	H	α-helix	trans	-100.7	-66.3	-169.6	-63.8	-50.7	0	0	0	114	R646 W647	R646-N650 WeakPolarHBondContact O-CB 3.49Å; R646-N650 PolarHBondContact O-N 3.34Å; R646-N650 PolarHBondContact O-ND2 2.89Å; W647-N650 PolarHBondContact O-N 2.94Å
651	A	89.7	Confident	90.3	Very high	39 Å²	39	45.8 Å²	45.8	32%	0.322	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-32.3	-161.6	0	0	0	0	0	113.8	W647 A654 I655	W647-A651 PolarHBondContact O-N 3.33Å; A651-A654 PolarHBondContact O-N 2.94Å; A651-I655 HydrophobicContact CB-CD1 4.12Å; A651-I655 WeakPolarHBondContact O-CG1 3.49Å; A651-I655 PolarHBondContact O-N 3.3Å
652	L	90.6	Very high	90.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-45.9	-172.2	178.4	70.4	0	0	0	113.6	M615 W647 V648 A654 I655 C656 Q714 M855	M615-L652 HydrophobicContact CE-CD1 3.75Å; M615-L652 HydrophobicContact CG-CD1 4.09Å; M615-L652 HydrophobicContact SD-CD1 3.69Å; W647-L652 HydrophobicContact CD2-CB 4.14Å; W647-L652 HydrophobicContact CD2-CD1 4.32Å; W647-L652 HydrophobicContact CE3-CD1 4.35Å; W647-L652 HydrophobicContact CE3-CD2 4.48Å; W647-L652 HydrophobicContact CG-CB 4.32Å; W647-L652 HydrophobicContact CH2-CD1 3.77Å; W647-L652 HydrophobicContact CZ2-CD1 3.67Å; W647-L652 HydrophobicContact CZ3-CD1 4.09Å; W647-L652 WeakPolarHBondContact O-CB 3.42Å; W647-L652 PolarHBondContact O-N 3.45Å; V648-L652 HydrophobicContact CB-CD2 4.46Å; V648-L652 HydrophobicContact CG2-CD2 3.72Å; L652-A654 VanDerWaalsContact C-N 3.28Å; L652-A654 PolarHBondContact O-N 2.88Å; L652-I655 PolarHBondContact O-N 3.41Å; L652-C656 WeakPolarHBondContact O-CB 3.45Å; L652-C656 PolarHBondContact O-N 3.38Å; L652-C656 PolarHBondContact O-SG 3.41Å; L652-Q714 HydrophobicContact CD2-CB 4.47Å; L652-Q714 HydrophobicContact CD2-CG 4.15Å; L652-M855 HydrophobicContact CD2-CE 3.94Å; L652-M855 HydrophobicContact CD2-CG 4.45Å; L652-M855 HydrophobicContact CD2-SD 3.35Å; L652-M855 WeakPolarHBondContact CD2-SD 3.14Å
653	P	91.6	Very high	90.5	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-39	178.7	-22	30.5	0	0	0	112.8	V648 V657 C707 L710 R711	V648-P653 WeakPolarHBondContact O-CD 3.49Å; V648-P653 WeakPolarHBondContact O-CG 3.48Å; P653-V657 VanDerWaalsContact O-CG2 3.29Å; P653-V657 WeakPolarHBondContact O-CG2 3.05Å; P653-V657 PolarHBondContact O-N 3.12Å; P653-V657 VanDerWaalsContact O-N 3.07Å; P653-C707 HydrophobicContact CB-CB 4.06Å; P653-C707 WeakPolarHBondContact CB-O 3.35Å; P653-L710 HydrophobicContact CB-CB 4.28Å; P653-R711 HydrophobicContact CG-CB 3.98Å; P653-R711 HydrophobicContact CG-CG 4.48Å
654	A	91.6	Very high	90.5	Very high	41 Å²	41	39.7 Å²	39.7	34%	0.339	20%	0.197	S	C	.	.	H	α-helix	trans	-68.2	-47.1	179.4	0	0	0	0	0	111.5	A651 L652 C656 V657 E658	A651-A654 PolarHBondContact O-N 2.94Å; L652-A654 VanDerWaalsContact C-N 3.28Å; L652-A654 PolarHBondContact O-N 2.88Å; A654-C656 VanDerWaalsContact C-N 3.28Å; A654-C656 PolarHBondContact O-N 3.04Å; A654-V657 PolarHBondContact O-N 3.17Å; A654-V657 VanDerWaalsContact O-N 3.16Å; A654-E658 WeakPolarHBondContact O-CG 3.36Å; A654-E658 PolarHBondContact O-N 3.45Å
655	I	91	Very high	90.6	Very high	39 Å²	39	42.9 Å²	42.9	20%	0.2	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-41.1	177.8	-64.3	165.5	0	0	0	111	R614 A651 L652 A659	R614-I655 HydrophobicContact CB-CG2 3.99Å; A651-I655 HydrophobicContact CB-CD1 4.12Å; A651-I655 WeakPolarHBondContact O-CG1 3.49Å; A651-I655 PolarHBondContact O-N 3.3Å; L652-I655 PolarHBondContact O-N 3.41Å; I655-A659 WeakPolarHBondContact O-CB 3.46Å; I655-A659 PolarHBondContact O-N 2.66Å
656	C	92.8	Very high	90.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-40.2	177.8	-70.1	0	0	0	0	112.5	L652 A654 A659 A660 L863	L652-C656 WeakPolarHBondContact O-CB 3.45Å; L652-C656 PolarHBondContact O-N 3.38Å; L652-C656 PolarHBondContact O-SG 3.41Å; A654-C656 VanDerWaalsContact C-N 3.28Å; A654-C656 PolarHBondContact O-N 3.04Å; C656-A659 PolarHBondContact O-N 3.35Å; C656-A660 WeakPolarHBondContact O-CB 3.48Å; C656-A660 PolarHBondContact O-N 2.8Å; C656-L863 HydrophobicContact CB-CD1 4.09Å
657	V	91.9	Very high	90.4	Very high	14 Å²	14	35 Å²	35	9%	0.085	18%	0.181	C	C	.	.	H	α-helix	trans	-65.7	-44	176.2	168.3	0	0	0	0	111	P653 A654 A659 A660 W661 W702 A706 L710	P653-V657 VanDerWaalsContact O-CG2 3.29Å; P653-V657 WeakPolarHBondContact O-CG2 3.05Å; P653-V657 PolarHBondContact O-N 3.12Å; P653-V657 VanDerWaalsContact O-N 3.07Å; A654-V657 PolarHBondContact O-N 3.17Å; A654-V657 VanDerWaalsContact O-N 3.16Å; V657-A659 VanDerWaalsContact C-N 3.34Å; V657-A659 PolarHBondContact O-N 2.72Å; V657-A660 WeakPolarHBondContact O-CB 3.42Å; V657-A660 PolarHBondContact O-N 3.31Å; V657-W661 PolarHBondContact O-N 3.46Å; V657-W702 HydrophobicContact CG1-CB 3.83Å; V657-W702 HydrophobicContact CG1-CD2 3.67Å; V657-W702 HydrophobicContact CG1-CE3 4.21Å; V657-W702 HydrophobicContact CG1-CG 3.44Å; V657-W702 VanDerWaalsContact CG1-CG 3.44Å; V657-A706 HydrophobicContact CG2-CB 4.37Å; V657-L710 HydrophobicContact CG2-CD1 3.5Å
658	E	90.6	Very high	90.2	Very high	107 Å²	107	34.6 Å²	34.6	50%	0.5	18%	0.18	S	C	.	.	H	α-helix	trans	-65.1	-36.6	176.1	-68.1	175.4	-172.8	0	0	112.6	R614 A654 A660 W661 D662	R614-E658 IonicContact NH1-OE2 3.27Å; R614-E658 PolarHBondContact NH1-OE2 3.39Å; A654-E658 WeakPolarHBondContact O-CG 3.36Å; A654-E658 PolarHBondContact O-N 3.45Å; E658-A660 VanDerWaalsContact C-N 3.3Å; E658-A660 PolarHBondContact O-N 2.94Å; E658-W661 WeakPolarHBondContact O-CB 3.42Å; E658-W661 PolarHBondContact O-N 3.34Å; E658-D662 PolarHBondContact O-N 2.93Å
659	A	91.4	Very high	90.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-37.4	173.7	0	0	0	0	0	111.9	K610 I611 I655 C656 V657 A663	K610-A659 HydrophobicContact CB-CB 4.49Å; I611-A659 HydrophobicContact CB-CB 4.49Å; I611-A659 HydrophobicContact CG1-CB 3.67Å; I655-A659 WeakPolarHBondContact O-CB 3.46Å; I655-A659 PolarHBondContact O-N 2.66Å; C656-A659 PolarHBondContact O-N 3.35Å; V657-A659 VanDerWaalsContact C-N 3.34Å; V657-A659 PolarHBondContact O-N 2.72Å; A659-A663 WeakPolarHBondContact O-CB 3.25Å; A659-A663 PolarHBondContact O-N 3.44Å
660	A	91.8	Very high	90	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68	-38	175.4	0	0	0	0	0	111.9	L607 C656 V657 E658 A663 L664 W702 L863 I867	L607-A660 HydrophobicContact CD2-CB 3.91Å; C656-A660 WeakPolarHBondContact O-CB 3.48Å; C656-A660 PolarHBondContact O-N 2.8Å; V657-A660 WeakPolarHBondContact O-CB 3.42Å; V657-A660 PolarHBondContact O-N 3.31Å; E658-A660 VanDerWaalsContact C-N 3.3Å; E658-A660 PolarHBondContact O-N 2.94Å; A660-A663 PolarHBondContact O-N 3.29Å; A660-L664 WeakPolarHBondContact O-CB 3.37Å; A660-L664 PolarHBondContact O-N 2.92Å; A660-W702 HydrophobicContact CB-CH2 3.58Å; A660-W702 HydrophobicContact CB-CZ2 4.23Å; A660-W702 HydrophobicContact CB-CZ3 4.02Å; A660-L863 HydrophobicContact CB-CD1 4.07Å; A660-L863 HydrophobicContact CB-CD2 3.86Å; A660-L863 HydrophobicContact CB-CG 4.39Å; A660-I867 HydrophobicContact CB-CD1 4.32Å
661	W	89.8	Confident	89.7	Confident	43 Å²	43	32.5 Å²	32.5	16%	0.163	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-48.7	173.4	-172.5	-113.5	0	0	0	112.4	V657 E658 A663 L664 R665 F697 H700 W702	V657-W661 PolarHBondContact O-N 3.46Å; E658-W661 WeakPolarHBondContact O-CB 3.42Å; E658-W661 PolarHBondContact O-N 3.34Å; W661-A663 VanDerWaalsContact C-N 3.34Å; W661-A663 PolarHBondContact O-N 3.45Å; W661-L664 PolarHBondContact O-N 3.47Å; W661-R665 PolarHBondContact O-N 3.35Å; W661-F697 AromaticContact CE2-CD1 3.87Å; W661-F697 HydrophobicContact CH2-CD1 4.14Å; W661-F697 AromaticContact CZ2-CD1 3.67Å; W661-F697 HydrophobicContact CZ2-CD1 3.67Å; W661-F697 HydrophobicContact CZ2-CE1 4.44Å; W661-H700 HydrophobicContact CH2-CB 3.77Å; W661-H700 AromaticContact CH2-CD2 3.18Å; W661-H700 WeakPolarHBondContact CH2-CD2 3.21Å; W661-H700 AromaticContact CH2-CG 3.68Å; W661-H700 WeakPolarHBondContact CH2-O 3.41Å; W661-H700 WeakPolarHBondContact CZ2-O 3.09Å; W661-H700 AromaticContact CZ3-CD2 3.22Å; W661-H700 WeakPolarHBondContact CZ3-CD2 3.41Å; W661-H700 AromaticContact CZ3-NE2 3.73Å; W661-W702 HydrophobicContact CB-CE3 4.31Å; W661-W702 HydrophobicContact CB-CZ3 4.37Å; W661-W702 HydrophobicContact CD2-CE3 4.41Å; W661-W702 AromaticContact CE3-CE3 3.47Å; W661-W702 HydrophobicContact CE3-CE3 3.47Å; W661-W702 VanDerWaalsContact CE3-CE3 3.47Å; W661-W702 AromaticContact CE3-CZ3 3.9Å; W661-W702 HydrophobicContact CE3-CZ3 3.9Å; W661-W702 HydrophobicContact CZ3-CE3 4.03Å
662	D	90.3	Very high	89.4	Confident	57 Å²	57	31.3 Å²	31.3	31%	0.305	16%	0.159	S	C	.	.	H	α-helix	trans	-60.4	-43.4	175.8	-81.4	14.5	0	0	0	112.1	R614 E658 L664 R665 E666	R614-D662 IonicContact CZ-OD2 2.94Å; R614-D662 IonicContact NH2-OD1 3.12Å; R614-D662 PolarHBondContact NH2-OD1 3.45Å; R614-D662 IonicContact NH2-OD2 2.69Å; R614-D662 PolarHBondContact NH2-OD2 2.87Å; E658-D662 PolarHBondContact O-N 2.93Å; D662-L664 VanDerWaalsContact C-N 3.32Å; D662-L664 PolarHBondContact O-N 3.45Å; D662-R665 PolarHBondContact O-N 2.95Å; D662-E666 WeakPolarHBondContact O-CB 3.42Å; D662-E666 PolarHBondContact O-N 3.41Å
663	A	90.6	Very high	88.9	Confident	2 Å²	2	34.3 Å²	34.3	2%	0.017	18%	0.184	C	C	.	.	H	α-helix	trans	-63.5	-39.7	178.7	0	0	0	0	0	111.6	L607 K610 A659 A660 W661 K667	L607-A663 HydrophobicContact CD2-CB 3.88Å; K610-A663 HydrophobicContact CG-CB 4.48Å; A659-A663 WeakPolarHBondContact O-CB 3.25Å; A659-A663 PolarHBondContact O-N 3.44Å; A660-A663 PolarHBondContact O-N 3.29Å; W661-A663 VanDerWaalsContact C-N 3.34Å; W661-A663 PolarHBondContact O-N 3.45Å; A663-K667 WeakPolarHBondContact O-CG 3.41Å; A663-K667 PolarHBondContact O-N 3.25Å
664	L	90	Very high	88.3	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-42.1	176.5	177.8	145.8	0	0	0	111.7	W603 A660 W661 D662 K667 L668 F697 I867 L875	W603-L664 HydrophobicContact CH2-CB 4.3Å; W603-L664 HydrophobicContact CZ3-CB 4.43Å; A660-L664 WeakPolarHBondContact O-CB 3.37Å; A660-L664 PolarHBondContact O-N 2.92Å; W661-L664 PolarHBondContact O-N 3.47Å; D662-L664 VanDerWaalsContact C-N 3.32Å; D662-L664 PolarHBondContact O-N 3.45Å; L664-K667 PolarHBondContact O-N 3.04Å; L664-L668 PolarHBondContact O-N 3.15Å; L664-L668 VanDerWaalsContact O-N 3.1Å; L664-F697 HydrophobicContact CD2-CE1 3.44Å; L664-F697 VanDerWaalsContact CD2-CE1 3.44Å; L664-F697 HydrophobicContact CD2-CZ 3.69Å; L664-I867 HydrophobicContact CD1-CG2 4Å; L664-L875 HydrophobicContact CD2-CD2 3.88Å
665	R	89.5	Confident	87.3	Confident	69 Å²	69	40.1 Å²	40.1	26%	0.26	21%	0.205	S	C	.	.	H	α-helix	trans	-60	-50	174.6	-177.4	-174.5	-73.4	-122.3	9.1	111.4	W661 D662 K667 L668 T669 E694 F697	W661-R665 PolarHBondContact O-N 3.35Å; D662-R665 PolarHBondContact O-N 2.95Å; R665-K667 VanDerWaalsContact C-N 3.35Å; R665-K667 PolarHBondContact O-N 3.36Å; R665-L668 PolarHBondContact O-N 3.5Å; R665-T669 WeakPolarHBondContact O-CG2 3.24Å; R665-T669 PolarHBondContact O-N 2.89Å; R665-T669 PolarHBondContact O-OG1 3.19Å; R665-T669 VanDerWaalsContact O-OG1 3.09Å; R665-E694 IonicContact CZ-OE2 3.61Å; R665-E694 VanDerWaalsContact NH1-CD 3.27Å; R665-E694 IonicContact NH1-OE1 3.1Å; R665-E694 PolarHBondContact NH1-OE1 3.2Å; R665-E694 IonicContact NH1-OE2 3.82Å; R665-E694 PolarHBondContact NH1-OE2 3.48Å; R665-F697 VanDerWaalsContact CA-CZ 3.47Å; R665-F697 HydrophobicContact CB-CE1 3.97Å; R665-F697 HydrophobicContact CB-CE2 4.08Å; R665-F697 HydrophobicContact CB-CZ 3.75Å; R665-F697 HydrophobicContact CG-CD2 4.11Å; R665-F697 HydrophobicContact CG-CE1 4.43Å; R665-F697 HydrophobicContact CG-CE2 3.76Å; R665-F697 HydrophobicContact CG-CZ 3.98Å; R665-F697 VanDerWaalsContact NH2-CB 3.26Å
666	E	89.7	Confident	86.1	Confident	81 Å²	81	39.4 Å²	39.4	38%	0.379	21%	0.205	S	C	.	.	H	α-helix	trans	-59.2	-44.8	-179.6	-173.8	173.6	160.2	0	0	111.7	K610 D662 L668 T669 D670	K610-E666 WeakPolarHBondContact CE-OE2 3.38Å; K610-E666 IonicContact NZ-OE2 2.72Å; K610-E666 PolarHBondContact NZ-OE2 3.22Å; D662-E666 WeakPolarHBondContact O-CB 3.42Å; D662-E666 PolarHBondContact O-N 3.41Å; E666-L668 PolarHBondContact O-N 3.37Å; E666-T669 WeakPolarHBondContact CA-OG1 3.3Å; E666-T669 PolarHBondContact O-N 2.93Å; E666-T669 PolarHBondContact O-OG1 2.9Å; E666-D670 WeakPolarHBondContact O-CB 3.23Å; E666-D670 PolarHBondContact O-N 3.22Å
667	K	88.8	Confident	84.7	Confident	54 Å²	54	44.1 Å²	44.1	24%	0.235	24%	0.238	C	C	.	.	H	α-helix	trans	-64.4	-39.1	177.8	-71.3	-62.2	176.7	-163	0	113.4	L595 I598 W603 A663 L664 R665 D670 I671	L595-K667 HydrophobicContact CD1-CB 4.16Å; I598-K667 HydrophobicContact CD1-CB 4.18Å; I598-K667 HydrophobicContact CD1-CD 4.45Å; I598-K667 HydrophobicContact CD1-CG 4.48Å; W603-K667 HydrophobicContact CH2-CB 3.98Å; W603-K667 HydrophobicContact CH2-CG 4.04Å; W603-K667 HydrophobicContact CZ2-CB 4.46Å; W603-K667 HydrophobicContact CZ3-CB 4.5Å; W603-K667 HydrophobicContact CZ3-CG 4.12Å; A663-K667 WeakPolarHBondContact O-CG 3.41Å; A663-K667 PolarHBondContact O-N 3.25Å; L664-K667 PolarHBondContact O-N 3.04Å; R665-K667 VanDerWaalsContact C-N 3.35Å; R665-K667 PolarHBondContact O-N 3.36Å; K667-D670 PolarHBondContact O-N 2.69Å; K667-I671 WeakPolarHBondContact O-CG1 3.42Å; K667-I671 PolarHBondContact O-N 2.83Å
668	L	86.3	Confident	83.2	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-44.9	175.5	-172.5	68.9	0	0	0	111	I592 L664 R665 E666 D670 I671 V672 I693 F697 L875	I592-L668 HydrophobicContact CG1-CD1 4.5Å; L664-L668 PolarHBondContact O-N 3.15Å; L664-L668 VanDerWaalsContact O-N 3.1Å; R665-L668 PolarHBondContact O-N 3.5Å; E666-L668 PolarHBondContact O-N 3.37Å; L668-D670 VanDerWaalsContact C-N 3.3Å; L668-D670 PolarHBondContact O-N 2.99Å; L668-I671 PolarHBondContact O-N 2.8Å; L668-V672 WeakPolarHBondContact O-CG2 3.35Å; L668-V672 PolarHBondContact O-N 3.43Å; L668-V672 VanDerWaalsContact O-N 3.12Å; L668-I693 HydrophobicContact CD2-CG1 4.26Å; L668-I693 HydrophobicContact CD2-CG2 4.14Å; L668-F697 HydrophobicContact CD2-CE2 3.86Å; L668-F697 HydrophobicContact CD2-CZ 4.03Å; L668-L875 HydrophobicContact CD2-CD2 4.1Å
669	T	86.6	Confident	81.6	Confident	53 Å²	53	50.9 Å²	50.9	33%	0.325	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-34.8	178.1	51.3	0	0	0	0	112.6	R665 E666 A673	R665-T669 WeakPolarHBondContact O-CG2 3.24Å; R665-T669 PolarHBondContact O-N 2.89Å; R665-T669 PolarHBondContact O-OG1 3.19Å; R665-T669 VanDerWaalsContact O-OG1 3.09Å; E666-T669 WeakPolarHBondContact CA-OG1 3.3Å; E666-T669 PolarHBondContact O-N 2.93Å; E666-T669 PolarHBondContact O-OG1 2.9Å; T669-A673 VanDerWaalsContact O-CB 3.28Å; T669-A673 WeakPolarHBondContact O-CB 3.16Å; T669-A673 PolarHBondContact O-N 3.02Å
670	D	86	Confident	79.9	Confident	59 Å²	59	59.6 Å²	59.6	32%	0.316	31%	0.309	S	S	.	.	H	α-helix	trans	-65.8	-40.5	176.1	-75	-14.5	0	0	0	111.9	E666 K667 L668 A673 Q674	E666-D670 WeakPolarHBondContact O-CB 3.23Å; E666-D670 PolarHBondContact O-N 3.22Å; K667-D670 PolarHBondContact O-N 2.69Å; L668-D670 VanDerWaalsContact C-N 3.3Å; L668-D670 PolarHBondContact O-N 2.99Å; D670-A673 PolarHBondContact O-N 3.46Å; D670-Q674 WeakPolarHBondContact O-CB 3.4Å; D670-Q674 WeakPolarHBondContact O-CG 3.31Å; D670-Q674 PolarHBondContact O-N 3.41Å
671	I	84.2	Confident	78.3	Confident	20 Å²	20	62.4 Å²	62.4	10%	0.103	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-49.4	177.1	-70.8	168.2	0	0	0	110.1	E591 A594 L595 I598 K667 L668 A673 Q674 D675	E591-I671 HydrophobicContact CB-CG2 4.2Å; E591-I671 HydrophobicContact CG-CG2 4.4Å; A594-I671 HydrophobicContact CB-CD1 4.49Å; A594-I671 HydrophobicContact CB-CG2 4.19Å; L595-I671 HydrophobicContact CB-CD1 4.25Å; L595-I671 HydrophobicContact CD1-CD1 4.04Å; I598-I671 HydrophobicContact CD1-CD1 3.98Å; I598-I671 HydrophobicContact CG1-CD1 4.43Å; K667-I671 WeakPolarHBondContact O-CG1 3.42Å; K667-I671 PolarHBondContact O-N 2.83Å; L668-I671 PolarHBondContact O-N 2.8Å; I671-A673 VanDerWaalsContact C-N 3.29Å; I671-A673 PolarHBondContact O-N 3.03Å; I671-Q674 PolarHBondContact O-N 3.27Å; I671-Q674 VanDerWaalsContact O-N 3.09Å; I671-D675 PolarHBondContact O-N 2.76Å
672	V	82.3	Confident	76.6	Confident	13 Å²	13	61.1 Å²	61.1	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-42.3	179.8	178	0	0	0	0	110.4	E591 L668 A676 K689 I693	E591-V672 WeakPolarHBondContact OE2-CG2 3.35Å; L668-V672 WeakPolarHBondContact O-CG2 3.35Å; L668-V672 PolarHBondContact O-N 3.43Å; L668-V672 VanDerWaalsContact O-N 3.12Å; V672-A676 VanDerWaalsContact O-CB 3.3Å; V672-A676 WeakPolarHBondContact O-CB 3.36Å; V672-A676 PolarHBondContact O-N 3.5Å; V672-K689 HydrophobicContact CG1-CD 4.48Å; V672-I693 HydrophobicContact CB-CD1 4.47Å; V672-I693 HydrophobicContact CG1-CD1 4.36Å; V672-I693 HydrophobicContact CG2-CD1 3.63Å
673	A	81	Confident	75.2	Confident	63 Å²	63	63 Å²	63	52%	0.521	34%	0.336	S	S	.	.	H	α-helix	trans	-68.8	-32.8	176.7	0	0	0	0	0	113.3	T669 D670 I671 S677	T669-A673 VanDerWaalsContact O-CB 3.28Å; T669-A673 WeakPolarHBondContact O-CB 3.16Å; T669-A673 PolarHBondContact O-N 3.02Å; D670-A673 PolarHBondContact O-N 3.46Å; I671-A673 VanDerWaalsContact C-N 3.29Å; I671-A673 PolarHBondContact O-N 3.03Å; A673-S677 PolarHBondContact O-N 3.5Å
674	Q	78	Confident	74.2	Confident	117 Å²	117	64 Å²	64	55%	0.547	34%	0.341	S	S	.	.	H	α-helix	trans	-70.4	-41.7	176.5	-78.2	174.8	34.8	0	0	111.9	D670 I671 S677	D670-Q674 WeakPolarHBondContact O-CB 3.4Å; D670-Q674 WeakPolarHBondContact O-CG 3.31Å; D670-Q674 PolarHBondContact O-N 3.41Å; I671-Q674 PolarHBondContact O-N 3.27Å; I671-Q674 VanDerWaalsContact O-N 3.09Å; Q674-S677 PolarHBondContact O-N 2.73Å; Q674-S677 PolarHBondContact O-OG 3.16Å
675	D	71.4	Confident	73.5	Confident	48 Å²	48	64.1 Å²	64.1	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-74.6	-29.8	178.5	-74	-21.7	0	0	0	112.4	I671 S677 K678	I671-D675 PolarHBondContact O-N 2.76Å; D675-S677 PolarHBondContact O-N 3.4Å; D675-K678 PolarHBondContact O-N 3.42Å; D675-K678 IonicContact OD1-NZ 3.63Å; D675-K678 PolarHBondContact OD1-NZ 2.96Å
676	A	65.6	Low	72.9	Confident	25 Å²	25	65 Å²	65	21%	0.207	35%	0.349	C	S	.	.	H	α-helix	trans	-53.3	-35.5	168	0	0	0	0	0	112.7	V672 K678 V682	V672-A676 VanDerWaalsContact O-CB 3.3Å; V672-A676 WeakPolarHBondContact O-CB 3.36Å; V672-A676 PolarHBondContact O-N 3.5Å; A676-K678 VanDerWaalsContact C-N 3.3Å; A676-K678 PolarHBondContact O-N 3.27Å; A676-V682 HydrophobicContact CB-CG1 3.57Å
677	S	62	Low	72.6	Confident	99 Å²	99	64.1 Å²	64.1	69%	0.692	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-14.8	179.9	77.2	0	0	0	0	114.8	A673 Q674 D675	A673-S677 PolarHBondContact O-N 3.5Å; Q674-S677 PolarHBondContact O-N 2.73Å; Q674-S677 PolarHBondContact O-OG 3.16Å; D675-S677 PolarHBondContact O-N 3.4Å
678	K	62.2	Low	72.4	Confident	143 Å²	143	61.7 Å²	61.7	62%	0.622	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-20.3	-172.3	-64.7	176	-166	152.6	0	114	D675 A676	D675-K678 PolarHBondContact O-N 3.42Å; D675-K678 IonicContact OD1-NZ 3.63Å; D675-K678 PolarHBondContact OD1-NZ 2.96Å; A676-K678 VanDerWaalsContact C-N 3.3Å; A676-K678 PolarHBondContact O-N 3.27Å
679	M	56.6	Low	72.4	Confident	120 Å²	120	62.3 Å²	62.3	59%	0.591	34%	0.342	S	S	*	.			trans	-123.2	130	-167.7	-70	-91.9	-177.8	0	0	111.7	H681 V682	M679-H681 PolarHBondContact O-N 2.9Å; M679-V682 HydrophobicContact CB-CG2 3.71Å; M679-V682 WeakPolarHBondContact O-CB 3.42Å; M679-V682 WeakPolarHBondContact O-CG2 3.27Å
680	E	55.2	Low	72.3	Confident	183 Å²	183	63.8 Å²	63.8	86%	0.855	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-6.9	-179.9	-66.6	-178.3	167.2	0	0	114.3	V682	E680-V682 VanDerWaalsContact C-N 3.34Å
681	H	57.7	Low	72.4	Confident	59 Å²	59	62 Å²	62	27%	0.273	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-0.2	-175.9	-69.9	-74.7	0	0	0	114.3	M679 F685	M679-H681 PolarHBondContact O-N 2.9Å; H681-F685 HydrophobicContact CB-CE2 4.35Å
682	V	55.2	Low	72.5	Confident	16 Å²	16	61.3 Å²	61.3	10%	0.097	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-76.7	-32	-153.8	164.4	0	0	0	0	114.6	A676 M679 E680 L684 F685 E686	A676-V682 HydrophobicContact CB-CG1 3.57Å; M679-V682 HydrophobicContact CB-CG2 3.71Å; M679-V682 WeakPolarHBondContact O-CB 3.42Å; M679-V682 WeakPolarHBondContact O-CG2 3.27Å; E680-V682 VanDerWaalsContact C-N 3.34Å; V682-L684 PolarHBondContact O-N 3.5Å; V682-F685 PolarHBondContact O-N 3.19Å; V682-E686 HydrophobicContact CG1-CG 3.64Å; V682-E686 WeakPolarHBondContact CG1-OE1 3.31Å; V682-E686 WeakPolarHBondContact O-CG 3.38Å; V682-E686 PolarHBondContact O-N 2.78Å; V682-E686 VanDerWaalsContact O-N 3.1Å
683	S	61.2	Low	72.7	Confident	97 Å²	97	60.8 Å²	60.8	68%	0.678	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-62.3	-20.7	-178.1	-177.6	0	0	0	0	113.8
684	L	68.9	Low	73	Confident	24 Å²	24	62.7 Å²	62.7	13%	0.126	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-80	-28.1	178.2	-66.9	174.3	0	0	0	112.9	V682 V898 Q901 V902	V682-L684 PolarHBondContact O-N 3.5Å; L684-V898 WeakPolarHBondContact CD2-O 3.47Å; L684-Q901 HydrophobicContact CD1-CB 4.29Å; L684-V902 HydrophobicContact CD2-CG2 4.46Å
685	F	76.2	Confident	73.5	Confident	3 Å²	3	59.9 Å²	59.9	1%	0.013	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-21.1	-173.2	-55.9	-49.8	0	0	0	113.5	L580 K583 A584 H681 V682 P687 L688 K689	L580-F685 HydrophobicContact CB-CE1 4.25Å; L580-F685 HydrophobicContact CD2-CE1 4.34Å; L580-F685 HydrophobicContact CD2-CZ 4.09Å; L580-F685 WeakPolarHBondContact O-CE1 3.07Å; K583-F685 HydrophobicContact CB-CZ 4.5Å; K583-F685 HydrophobicContact CD-CE2 4.46Å; K583-F685 HydrophobicContact CD-CZ 4.31Å; A584-F685 HydrophobicContact CB-CB 4.49Å; A584-F685 HydrophobicContact CB-CD1 3.57Å; A584-F685 HydrophobicContact CB-CE1 3.88Å; A584-F685 HydrophobicContact CB-CG 4.05Å; H681-F685 HydrophobicContact CB-CE2 4.35Å; V682-F685 PolarHBondContact O-N 3.19Å; F685-P687 VanDerWaalsContact C-CD 3.48Å; F685-L688 WeakPolarHBondContact O-CB 3.47Å; F685-L688 PolarHBondContact O-N 2.91Å; F685-K689 WeakPolarHBondContact O-CG 3.2Å; F685-K689 PolarHBondContact O-N 3.09Å
686	E	76.9	Confident	74.3	Confident	87 Å²	87	57.6 Å²	57.6	41%	0.407	31%	0.308	S	S	.	.	H	α-helix	trans	-50.3	-47	178.7	-82	178	179	0	0	113.9	V682 L688 K689 N690	V682-E686 HydrophobicContact CG1-CG 3.64Å; V682-E686 WeakPolarHBondContact CG1-OE1 3.31Å; V682-E686 WeakPolarHBondContact O-CG 3.38Å; V682-E686 PolarHBondContact O-N 2.78Å; V682-E686 VanDerWaalsContact O-N 3.1Å; E686-L688 VanDerWaalsContact C-N 3.29Å; E686-L688 PolarHBondContact O-N 3.41Å; E686-K689 PolarHBondContact O-N 3.3Å; E686-N690 VanDerWaalsContact O-CB 3.32Å; E686-N690 WeakPolarHBondContact O-CB 3.48Å; E686-N690 VanDerWaalsContact O-CG 3.28Å; E686-N690 PolarHBondContact O-N 3.22Å; E686-N690 PolarHBondContact O-ND2 2.98Å
687	P	83.3	Confident	75.3	Confident	63 Å²	63	56.8 Å²	56.8	41%	0.409	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-38.5	178.8	-21	33.6	0	0	0	112	F685 A691 F896	F685-P687 VanDerWaalsContact C-CD 3.48Å; P687-A691 WeakPolarHBondContact O-CB 3.27Å; P687-A691 PolarHBondContact O-N 3.46Å; P687-A691 VanDerWaalsContact O-N 3.08Å; P687-F896 HydrophobicContact CB-CD1 4.44Å
688	L	84.8	Confident	76.4	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-67.9	-50.9	178.8	-177.5	70.1	0	0	0	111	F581 A584 F685 E686 N690 A691 I692 W886 F896 I897	F581-L688 HydrophobicContact CD2-CD1 4.49Å; F581-L688 HydrophobicContact CD2-CD2 4Å; F581-L688 HydrophobicContact CE2-CD1 4.12Å; F581-L688 HydrophobicContact CE2-CD2 4.19Å; A584-L688 HydrophobicContact CB-CD2 3.74Å; F685-L688 WeakPolarHBondContact O-CB 3.47Å; F685-L688 PolarHBondContact O-N 2.91Å; E686-L688 VanDerWaalsContact C-N 3.29Å; E686-L688 PolarHBondContact O-N 3.41Å; L688-N690 PolarHBondContact O-N 3.06Å; L688-A691 PolarHBondContact O-N 3.42Å; L688-I692 HydrophobicContact CD1-CD1 4.12Å; L688-I692 HydrophobicContact CG-CD1 3.85Å; L688-I692 VanDerWaalsContact O-CG1 3.27Å; L688-I692 WeakPolarHBondContact O-CG1 2.99Å; L688-I692 PolarHBondContact O-N 3.29Å; L688-W886 HydrophobicContact CD1-CE3 3.85Å; L688-W886 HydrophobicContact CD1-CZ3 3.89Å; L688-F896 HydrophobicContact CB-CB 4.03Å; L688-F896 HydrophobicContact CD1-CB 3.73Å; L688-F896 HydrophobicContact CD1-CD2 4.32Å; L688-F896 HydrophobicContact CD1-CG 4.22Å; L688-I897 HydrophobicContact CD2-CD1 4.28Å; L688-I897 HydrophobicContact CD2-CG1 4.25Å
689	K	85.1	Confident	77.5	Confident	14 Å²	14	52 Å²	52	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-48.4	-179.7	-69.9	-175.5	-179	179.2	0	111.1	E587 L588 E591 V672 F685 E686 A691 I692 I693	E587-K689 IonicContact OE2-NZ 3.46Å; E587-K689 PolarHBondContact OE2-NZ 3.48Å; L588-K689 HydrophobicContact CD1-CG 4.33Å; E591-K689 IonicContact OE1-NZ 2.73Å; E591-K689 PolarHBondContact OE1-NZ 3.21Å; E591-K689 IonicContact OE2-NZ 2.99Å; V672-K689 HydrophobicContact CG1-CD 4.48Å; F685-K689 WeakPolarHBondContact O-CG 3.2Å; F685-K689 PolarHBondContact O-N 3.09Å; E686-K689 PolarHBondContact O-N 3.3Å; K689-A691 VanDerWaalsContact C-N 3.33Å; K689-A691 PolarHBondContact O-N 3.25Å; K689-I692 PolarHBondContact O-N 3.06Å; K689-I693 WeakPolarHBondContact O-CB 3.46Å; K689-I693 WeakPolarHBondContact O-CD1 3.26Å; K689-I693 WeakPolarHBondContact O-CG1 3.46Å; K689-I693 PolarHBondContact O-N 3.35Å
690	N	85.6	Confident	78.8	Confident	84 Å²	84	47.3 Å²	47.3	45%	0.449	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-39.7	178.6	-71.1	-27	0	0	0	112.2	E686 L688 I693 E694	E686-N690 VanDerWaalsContact O-CB 3.32Å; E686-N690 WeakPolarHBondContact O-CB 3.48Å; E686-N690 VanDerWaalsContact O-CG 3.28Å; E686-N690 PolarHBondContact O-N 3.22Å; E686-N690 PolarHBondContact O-ND2 2.98Å; L688-N690 PolarHBondContact O-N 3.06Å; N690-I693 PolarHBondContact O-N 2.84Å; N690-E694 WeakPolarHBondContact O-CB 3.48Å; N690-E694 WeakPolarHBondContact O-CG 3.32Å; N690-E694 PolarHBondContact O-N 2.81Å
691	A	86.6	Confident	80.1	Confident	21 Å²	21	42.2 Å²	42.2	17%	0.174	25%	0.253	C	S	.	.	H	α-helix	trans	-68.9	-38.9	177.9	0	0	0	0	0	112.5	P687 L688 K689 Q695 W886 F896	P687-A691 WeakPolarHBondContact O-CB 3.27Å; P687-A691 PolarHBondContact O-N 3.46Å; P687-A691 VanDerWaalsContact O-N 3.08Å; L688-A691 PolarHBondContact O-N 3.42Å; K689-A691 VanDerWaalsContact C-N 3.33Å; K689-A691 PolarHBondContact O-N 3.25Å; A691-Q695 WeakPolarHBondContact O-CB 3.28Å; A691-Q695 PolarHBondContact O-N 3.4Å; A691-W886 HydrophobicContact CB-CH2 3.75Å; A691-W886 HydrophobicContact CB-CZ3 4.08Å; A691-F896 HydrophobicContact CB-CD1 3.92Å; A691-F896 HydrophobicContact CB-CE1 3.34Å; A691-F896 HydrophobicContact CB-CE2 4.38Å; A691-F896 HydrophobicContact CB-CZ 3.61Å
692	I	86.9	Confident	81.4	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-44.5	173.4	-66.8	165.2	0	0	0	110.2	L588 L688 K689 Q695 A696 I879 I882 I883 W886	L588-I692 HydrophobicContact CD2-CB 4.14Å; L588-I692 HydrophobicContact CD2-CD1 3.91Å; L588-I692 HydrophobicContact CD2-CG2 3.66Å; L688-I692 HydrophobicContact CD1-CD1 4.12Å; L688-I692 HydrophobicContact CG-CD1 3.85Å; L688-I692 VanDerWaalsContact O-CG1 3.27Å; L688-I692 WeakPolarHBondContact O-CG1 2.99Å; L688-I692 PolarHBondContact O-N 3.29Å; K689-I692 PolarHBondContact O-N 3.06Å; I692-Q695 PolarHBondContact O-N 2.66Å; I692-A696 VanDerWaalsContact O-CB 3.26Å; I692-A696 WeakPolarHBondContact O-CB 3.4Å; I692-A696 PolarHBondContact O-N 3.34Å; I692-I879 HydrophobicContact CG2-CG2 3.86Å; I692-I882 HydrophobicContact CG2-CG2 4.32Å; I692-I883 HydrophobicContact CD1-CG1 4.21Å; I692-I883 HydrophobicContact CG2-CG1 4.4Å; I692-W886 HydrophobicContact CD1-CE3 4.31Å; I692-W886 HydrophobicContact CD1-CZ3 4.47Å; I692-W886 HydrophobicContact CG1-CE3 3.66Å; I692-W886 HydrophobicContact CG1-CH2 4.39Å; I692-W886 HydrophobicContact CG1-CZ3 3.54Å
693	I	86.4	Confident	82.9	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-47.7	179.7	-70	166	0	0	0	110.9	L588 L668 V672 K689 N690 Q695 A696 F697	L588-I693 HydrophobicContact CD1-CD1 4.44Å; L588-I693 HydrophobicContact CD1-CG1 4.5Å; L668-I693 HydrophobicContact CD2-CG1 4.26Å; L668-I693 HydrophobicContact CD2-CG2 4.14Å; V672-I693 HydrophobicContact CB-CD1 4.47Å; V672-I693 HydrophobicContact CG1-CD1 4.36Å; V672-I693 HydrophobicContact CG2-CD1 3.63Å; K689-I693 WeakPolarHBondContact O-CB 3.46Å; K689-I693 WeakPolarHBondContact O-CD1 3.26Å; K689-I693 WeakPolarHBondContact O-CG1 3.46Å; K689-I693 PolarHBondContact O-N 3.35Å; N690-I693 PolarHBondContact O-N 2.84Å; I693-Q695 VanDerWaalsContact C-N 3.35Å; I693-Q695 PolarHBondContact O-N 2.95Å; I693-A696 PolarHBondContact O-N 2.94Å; I693-F697 HydrophobicContact CG2-CD2 3.57Å; I693-F697 HydrophobicContact CG2-CE2 3.52Å; I693-F697 WeakPolarHBondContact O-CD2 3.4Å; I693-F697 PolarHBondContact O-N 3.14Å
694	E	88.4	Confident	84	Confident	103 Å²	103	41.4 Å²	41.4	48%	0.481	25%	0.246	S	C	.	.	H	α-helix	trans	-63.4	-40.6	177.2	-76.1	-58.5	146.3	0	0	112	R665 N690 F697 S698	R665-E694 IonicContact CZ-OE2 3.61Å; R665-E694 VanDerWaalsContact NH1-CD 3.27Å; R665-E694 IonicContact NH1-OE1 3.1Å; R665-E694 PolarHBondContact NH1-OE1 3.2Å; R665-E694 IonicContact NH1-OE2 3.82Å; R665-E694 PolarHBondContact NH1-OE2 3.48Å; N690-E694 WeakPolarHBondContact O-CB 3.48Å; N690-E694 WeakPolarHBondContact O-CG 3.32Å; N690-E694 PolarHBondContact O-N 2.81Å; E694-F697 PolarHBondContact O-N 2.93Å; E694-S698 WeakPolarHBondContact O-CB 3.31Å; E694-S698 PolarHBondContact O-N 3.21Å
695	Q	87.1	Confident	84.9	Confident	58 Å²	58	46.4 Å²	46.4	27%	0.271	27%	0.267	S	S	.	.	H	α-helix	trans	-65.6	-42.5	175.6	-168.3	179.3	1.5	0	0	111.4	A691 I692 I693 F697 S698 A699 I882 W886	A691-Q695 WeakPolarHBondContact O-CB 3.28Å; A691-Q695 PolarHBondContact O-N 3.4Å; I692-Q695 PolarHBondContact O-N 2.66Å; I693-Q695 VanDerWaalsContact C-N 3.35Å; I693-Q695 PolarHBondContact O-N 2.95Å; Q695-F697 VanDerWaalsContact C-N 3.35Å; Q695-F697 PolarHBondContact O-N 3.3Å; Q695-S698 WeakPolarHBondContact CA-OG 3.29Å; Q695-S698 PolarHBondContact O-N 3.25Å; Q695-S698 VanDerWaalsContact O-N 3.13Å; Q695-S698 PolarHBondContact O-OG 2.95Å; Q695-A699 WeakPolarHBondContact O-CB 3.49Å; Q695-A699 PolarHBondContact O-N 3.49Å; Q695-I882 HydrophobicContact CB-CD1 4.19Å; Q695-I882 HydrophobicContact CG-CD1 3.98Å; Q695-W886 VanDerWaalsContact OE1-NE1 3.09Å
696	A	87.7	Confident	85.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-42.8	176.9	0	0	0	0	0	111.7	I692 I693 S698 A699 H700 L875 I879 I882	I692-A696 VanDerWaalsContact O-CB 3.26Å; I692-A696 WeakPolarHBondContact O-CB 3.4Å; I692-A696 PolarHBondContact O-N 3.34Å; I693-A696 PolarHBondContact O-N 2.94Å; A696-S698 VanDerWaalsContact C-N 3.32Å; A696-S698 PolarHBondContact O-N 3.37Å; A696-A699 PolarHBondContact O-N 3.2Å; A696-H700 WeakPolarHBondContact O-CB 3.41Å; A696-H700 PolarHBondContact O-N 3.12Å; A696-L875 HydrophobicContact CB-CD1 4.49Å; A696-I879 HydrophobicContact CB-CD1 4.39Å; A696-I879 HydrophobicContact CB-CG1 3.51Å; A696-I882 VanDerWaalsContact CA-CD1 3.46Å; A696-I882 HydrophobicContact CB-CD1 3.86Å
697	F	87.2	Confident	85.9	Confident	8 Å²	8	44 Å²	44	4%	0.035	26%	0.259	C	S	.	.	H	α-helix	trans	-71.3	-24.3	175.1	-79.8	-64	0	0	0	114.1	W661 L664 R665 L668 I693 E694 Q695 L875	W661-F697 AromaticContact CE2-CD1 3.87Å; W661-F697 HydrophobicContact CH2-CD1 4.14Å; W661-F697 AromaticContact CZ2-CD1 3.67Å; W661-F697 HydrophobicContact CZ2-CD1 3.67Å; W661-F697 HydrophobicContact CZ2-CE1 4.44Å; L664-F697 HydrophobicContact CD2-CE1 3.44Å; L664-F697 VanDerWaalsContact CD2-CE1 3.44Å; L664-F697 HydrophobicContact CD2-CZ 3.69Å; R665-F697 VanDerWaalsContact CA-CZ 3.47Å; R665-F697 HydrophobicContact CB-CE1 3.97Å; R665-F697 HydrophobicContact CB-CE2 4.08Å; R665-F697 HydrophobicContact CB-CZ 3.75Å; R665-F697 HydrophobicContact CG-CD2 4.11Å; R665-F697 HydrophobicContact CG-CE1 4.43Å; R665-F697 HydrophobicContact CG-CE2 3.76Å; R665-F697 HydrophobicContact CG-CZ 3.98Å; R665-F697 VanDerWaalsContact NH2-CB 3.26Å; L668-F697 HydrophobicContact CD2-CE2 3.86Å; L668-F697 HydrophobicContact CD2-CZ 4.03Å; I693-F697 HydrophobicContact CG2-CD2 3.57Å; I693-F697 HydrophobicContact CG2-CE2 3.52Å; I693-F697 WeakPolarHBondContact O-CD2 3.4Å; I693-F697 PolarHBondContact O-N 3.14Å; E694-F697 PolarHBondContact O-N 2.93Å; Q695-F697 VanDerWaalsContact C-N 3.35Å; Q695-F697 PolarHBondContact O-N 3.3Å; F697-L875 HydrophobicContact CD1-CD1 4.46Å; F697-L875 HydrophobicContact CE1-CD1 4.18Å; F697-L875 HydrophobicContact CZ-CD1 4.45Å; F697-L875 HydrophobicContact CZ-CD2 4.39Å
698	S	86.3	Confident	86.2	Confident	95 Å²	95	47.8 Å²	47.8	66%	0.664	27%	0.267	S	S	*	.	H	α-helix	trans	-77.4	-31.5	173.3	75.7	0	0	0	0	112.8	E694 Q695 A696	E694-S698 WeakPolarHBondContact O-CB 3.31Å; E694-S698 PolarHBondContact O-N 3.21Å; Q695-S698 WeakPolarHBondContact CA-OG 3.29Å; Q695-S698 PolarHBondContact O-N 3.25Å; Q695-S698 VanDerWaalsContact O-N 3.13Å; Q695-S698 PolarHBondContact O-OG 2.95Å; A696-S698 VanDerWaalsContact C-N 3.32Å; A696-S698 PolarHBondContact O-N 3.37Å
699	A	84.7	Confident	86.5	Confident	47 Å²	47	53.2 Å²	53.2	39%	0.388	29%	0.288	S	S	.	.	H	α-helix	trans	-88.5	-33.1	-178.7	0	0	0	0	0	112.6	Q695 A696 E878	Q695-A699 WeakPolarHBondContact O-CB 3.49Å; Q695-A699 PolarHBondContact O-N 3.49Å; A696-A699 PolarHBondContact O-N 3.2Å; A699-E878 HydrophobicContact CB-CG 4.31Å; A699-E878 WeakPolarHBondContact CB-OE1 3.47Å
700	H	83.3	Confident	86.8	Confident	21 Å²	21	52.6 Å²	52.6	10%	0.097	29%	0.285	C	S	.	.			trans	-76.9	128.9	-178.7	-173.1	40.9	0	0	0	110.7	W661 A696 E871 L875 E878	W661-H700 HydrophobicContact CH2-CB 3.77Å; W661-H700 AromaticContact CH2-CD2 3.18Å; W661-H700 WeakPolarHBondContact CH2-CD2 3.21Å; W661-H700 AromaticContact CH2-CG 3.68Å; W661-H700 WeakPolarHBondContact CH2-O 3.41Å; W661-H700 WeakPolarHBondContact CZ2-O 3.09Å; W661-H700 AromaticContact CZ3-CD2 3.22Å; W661-H700 WeakPolarHBondContact CZ3-CD2 3.41Å; W661-H700 AromaticContact CZ3-NE2 3.73Å; A696-H700 WeakPolarHBondContact O-CB 3.41Å; A696-H700 PolarHBondContact O-N 3.12Å; H700-E871 IonicContact CE1-OE2 3.25Å; H700-E871 PolarHBondContact CE1-OE2 3Å; H700-E871 VanDerWaalsContact CE1-OE2 3.26Å; H700-E871 IonicContact NE2-OE2 3.32Å; H700-E871 PolarHBondContact NE2-OE2 3.38Å; H700-L875 HydrophobicContact CB-CD1 4.43Å; H700-E878 HydrophobicContact CB-CG 4.35Å
701	A	83	Confident	87.1	Confident	76 Å²	76	53 Å²	53	63%	0.628	28%	0.28	S	S	*	.			trans	-117.2	130.1	173.4	0	0	0	0	0	108.9
702	W	85.5	Confident	87.3	Confident	28 Å²	28	55 Å²	55	11%	0.106	29%	0.29	C	S	.	.			trans	-56	145.3	175.9	-160.3	-74.8	0	0	0	110.6	V657 A660 W661 P704 L863 I867 E871	V657-W702 HydrophobicContact CG1-CB 3.83Å; V657-W702 HydrophobicContact CG1-CD2 3.67Å; V657-W702 HydrophobicContact CG1-CE3 4.21Å; V657-W702 HydrophobicContact CG1-CG 3.44Å; V657-W702 VanDerWaalsContact CG1-CG 3.44Å; A660-W702 HydrophobicContact CB-CH2 3.58Å; A660-W702 HydrophobicContact CB-CZ2 4.23Å; A660-W702 HydrophobicContact CB-CZ3 4.02Å; W661-W702 HydrophobicContact CB-CE3 4.31Å; W661-W702 HydrophobicContact CB-CZ3 4.37Å; W661-W702 HydrophobicContact CD2-CE3 4.41Å; W661-W702 AromaticContact CE3-CE3 3.47Å; W661-W702 HydrophobicContact CE3-CE3 3.47Å; W661-W702 VanDerWaalsContact CE3-CE3 3.47Å; W661-W702 AromaticContact CE3-CZ3 3.9Å; W661-W702 HydrophobicContact CE3-CZ3 3.9Å; W661-W702 HydrophobicContact CZ3-CE3 4.03Å; W702-P704 WeakPolarHBondContact O-CD 3.29Å; W702-P704 VanDerWaalsContact O-N 3.08Å; W702-L863 HydrophobicContact CZ2-CD2 4.12Å; W702-I867 HydrophobicContact CH2-CD1 4.17Å; W702-I867 HydrophobicContact CH2-CG1 3.59Å; W702-I867 HydrophobicContact CZ2-CG1 4.24Å; W702-E871 HydrophobicContact CD2-CG 4.08Å; W702-E871 HydrophobicContact CE3-CG 4.42Å; W702-E871 HydrophobicContact CH2-CG 4.13Å; W702-E871 HydrophobicContact CZ2-CG 3.78Å; W702-E871 HydrophobicContact CZ3-CG 4.43Å
703	D	86.6	Confident	87.5	Confident	15 Å²	15	57.7 Å²	57.7	8%	0.08	30%	0.304	C	S	.	.			trans	-52	118.6	179.6	-164	38	0	0	0	111.8	K705 A706 K870 E871 R874	D703-K705 PolarHBondContact O-N 3.42Å; D703-A706 HydrophobicContact CB-CB 4.38Å; D703-A706 WeakPolarHBondContact O-CB 3.43Å; D703-A706 PolarHBondContact O-N 3.18Å; D703-K870 VanDerWaalsContact CG-NZ 3.28Å; D703-K870 IonicContact OD1-NZ 3.46Å; D703-K870 IonicContact OD2-NZ 2.6Å; D703-K870 PolarHBondContact OD2-NZ 3.47Å; D703-E871 WeakPolarHBondContact CB-OE1 2.91Å; D703-E871 PolarHBondContact N-OE1 3.16Å; D703-R874 IonicContact OD1-CZ 3.12Å; D703-R874 IonicContact OD1-NH1 3.04Å; D703-R874 PolarHBondContact OD1-NH1 3.09Å; D703-R874 VanDerWaalsContact OD1-NH1 3.1Å; D703-R874 IonicContact OD1-NH2 2.71Å
704	P	83.6	Confident	87.8	Confident	112 Å²	112	57.6 Å²	57.6	73%	0.727	30%	0.303	S	S	*	.	H	α-helix	trans	-62.7	-23.5	-177.7	22.3	-33.1	0	0	0	112.3	W702 A706	W702-P704 WeakPolarHBondContact O-CD 3.29Å; W702-P704 VanDerWaalsContact O-N 3.08Å; P704-A706 VanDerWaalsContact C-N 3.26Å; P704-A706 PolarHBondContact O-N 2.98Å
705	K	86.9	Confident	87.8	Confident	129 Å²	129	54 Å²	54	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-71.2	-18.7	174.4	-59	-177	179.7	-178.7	0	112.9	D703 C707 Y708 Y709	D703-K705 PolarHBondContact O-N 3.42Å; K705-C707 VanDerWaalsContact C-N 3.33Å; K705-C707 PolarHBondContact O-N 3.05Å; K705-Y708 WeakPolarHBondContact O-CB 3.48Å; K705-Y708 PolarHBondContact O-N 3.16Å; K705-Y708 VanDerWaalsContact O-N 3.13Å; K705-Y709 HydrophobicContact CB-CD2 4.14Å; K705-Y709 HydrophobicContact CB-CE2 3.65Å; K705-Y709 WeakPolarHBondContact O-CD2 3.16Å; K705-Y709 PolarHBondContact O-N 2.85Å
706	A	87.1	Confident	88	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-42.6	-179.5	0	0	0	0	0	112	V657 D703 P704 Y708 Y709 L710	V657-A706 HydrophobicContact CG2-CB 4.37Å; D703-A706 HydrophobicContact CB-CB 4.38Å; D703-A706 WeakPolarHBondContact O-CB 3.43Å; D703-A706 PolarHBondContact O-N 3.18Å; P704-A706 VanDerWaalsContact C-N 3.26Å; P704-A706 PolarHBondContact O-N 2.98Å; A706-Y708 VanDerWaalsContact C-N 3.28Å; A706-Y708 PolarHBondContact O-N 3.49Å; A706-Y709 PolarHBondContact O-N 3.33Å; A706-L710 WeakPolarHBondContact O-CB 3.4Å; A706-L710 VanDerWaalsContact O-CG 3.27Å; A706-L710 WeakPolarHBondContact O-CG 3.4Å; A706-L710 PolarHBondContact O-N 3.39Å
707	C	88.7	Confident	88	Confident	37 Å²	37	55.9 Å²	55.9	25%	0.25	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-38.1	176.8	-64.1	0	0	0	0	112.1	P653 K705 R711	P653-C707 HydrophobicContact CB-CB 4.06Å; P653-C707 WeakPolarHBondContact CB-O 3.35Å; K705-C707 VanDerWaalsContact C-N 3.33Å; K705-C707 PolarHBondContact O-N 3.05Å; C707-R711 WeakPolarHBondContact O-CB 3.29Å; C707-R711 PolarHBondContact O-N 3.13Å
708	Y	89.2	Confident	88	Confident	144 Å²	144	56 Å²	56	57%	0.565	30%	0.304	S	S	*	.	H	α-helix	trans	-66.6	-47.8	176.3	179.1	-94.5	0	0	0	111.7	K705 A706 L710 R711 V712	K705-Y708 WeakPolarHBondContact O-CB 3.48Å; K705-Y708 PolarHBondContact O-N 3.16Å; K705-Y708 VanDerWaalsContact O-N 3.13Å; A706-Y708 VanDerWaalsContact C-N 3.28Å; A706-Y708 PolarHBondContact O-N 3.49Å; Y708-L710 VanDerWaalsContact C-N 3.34Å; Y708-L710 PolarHBondContact O-N 3.08Å; Y708-R711 WeakPolarHBondContact O-CB 3.48Å; Y708-R711 PolarHBondContact O-N 3.09Å; Y708-V712 HydrophobicContact CE1-CG2 4.28Å; Y708-V712 PolarHBondContact O-N 2.65Å
709	Y	90.2	Very high	87.8	Confident	117 Å²	117	57 Å²	57	46%	0.459	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-42	177.4	-65.6	-56	0	0	0	112.2	K705 A706 V712 I713	K705-Y709 HydrophobicContact CB-CD2 4.14Å; K705-Y709 HydrophobicContact CB-CE2 3.65Å; K705-Y709 WeakPolarHBondContact O-CD2 3.16Å; K705-Y709 PolarHBondContact O-N 2.85Å; A706-Y709 PolarHBondContact O-N 3.33Å; Y709-V712 PolarHBondContact O-N 3.05Å; Y709-I713 WeakPolarHBondContact O-CG1 3.44Å; Y709-I713 PolarHBondContact O-N 3.26Å; Y709-I713 VanDerWaalsContact O-N 3.13Å
710	L	91.8	Very high	87.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.7	-39.8	176.8	-71.7	170	0	0	0	111.7	P653 V657 A706 Y708 V712 I713 Q714 A862 L863	P653-L710 HydrophobicContact CB-CB 4.28Å; V657-L710 HydrophobicContact CG2-CD1 3.5Å; A706-L710 WeakPolarHBondContact O-CB 3.4Å; A706-L710 VanDerWaalsContact O-CG 3.27Å; A706-L710 WeakPolarHBondContact O-CG 3.4Å; A706-L710 PolarHBondContact O-N 3.39Å; Y708-L710 VanDerWaalsContact C-N 3.34Å; Y708-L710 PolarHBondContact O-N 3.08Å; L710-V712 VanDerWaalsContact C-N 3.32Å; L710-V712 PolarHBondContact O-N 3.21Å; L710-I713 PolarHBondContact O-N 3.31Å; L710-Q714 VanDerWaalsContact O-CB 3.25Å; L710-Q714 WeakPolarHBondContact O-CB 3.2Å; L710-Q714 WeakPolarHBondContact O-CG 3.49Å; L710-Q714 PolarHBondContact O-N 3.22Å; L710-A862 HydrophobicContact CD2-CB 3.92Å; L710-L863 HydrophobicContact CD1-CD2 3.71Å; L710-L863 HydrophobicContact CD1-CG 4.3Å; L710-L863 HydrophobicContact CD2-CD2 4.24Å; L710-L863 HydrophobicContact CD2-CG 4.07Å
711	R	91.6	Very high	87.3	Confident	93 Å²	93	64.5 Å²	64.5	35%	0.351	32%	0.321	S	S	.	.	H	α-helix	trans	-57.8	-44.2	175.9	-172.1	-174	-66.4	148.7	-3.3	111.7	D649 P653 C707 Y708 Q714 S715	D649-R711 VanDerWaalsContact O-CZ 3.26Å; D649-R711 PolarHBondContact O-NE 3.43Å; D649-R711 PolarHBondContact O-NH2 3.23Å; P653-R711 HydrophobicContact CG-CB 3.98Å; P653-R711 HydrophobicContact CG-CG 4.48Å; C707-R711 WeakPolarHBondContact O-CB 3.29Å; C707-R711 PolarHBondContact O-N 3.13Å; Y708-R711 WeakPolarHBondContact O-CB 3.48Å; Y708-R711 PolarHBondContact O-N 3.09Å; R711-Q714 PolarHBondContact O-N 2.98Å; R711-S715 WeakPolarHBondContact O-CB 3.12Å; R711-S715 PolarHBondContact O-N 3.39Å
712	V	91.2	Very high	87.1	Confident	63 Å²	63	66.9 Å²	66.9	38%	0.382	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-46.1	177.5	177	0	0	0	0	111.1	Y708 Y709 L710 Q714 S715 N716	Y708-V712 HydrophobicContact CE1-CG2 4.28Å; Y708-V712 PolarHBondContact O-N 2.65Å; Y709-V712 PolarHBondContact O-N 3.05Å; L710-V712 VanDerWaalsContact C-N 3.32Å; L710-V712 PolarHBondContact O-N 3.21Å; V712-Q714 PolarHBondContact O-N 3.25Å; V712-S715 PolarHBondContact O-N 3.49Å; V712-N716 WeakPolarHBondContact O-CB 3.45Å; V712-N716 PolarHBondContact O-N 3.11Å; V712-N716 PolarHBondContact O-ND2 3.18Å; V712-N716 PolarHBondContact O-OD1 2.67Å
713	I	90.9	Very high	87	Confident	62 Å²	62	66 Å²	66	32%	0.318	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-42.6	179	-65.7	168.7	0	0	0	111	Y709 L710 A717 A858 A862	Y709-I713 WeakPolarHBondContact O-CG1 3.44Å; Y709-I713 PolarHBondContact O-N 3.26Å; Y709-I713 VanDerWaalsContact O-N 3.13Å; L710-I713 PolarHBondContact O-N 3.31Å; I713-A717 VanDerWaalsContact O-CB 3.31Å; I713-A717 WeakPolarHBondContact O-CB 3.01Å; I713-A717 PolarHBondContact O-N 3.31Å; I713-A858 HydrophobicContact CG2-CB 4.01Å; I713-A862 HydrophobicContact CD1-CB 3.63Å
714	Q	92.1	Very high	86.7	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-67.7	-43.8	179.3	-73.1	168.8	-6.3	0	0	111.7	V648 L652 L710 R711 V712 A717 I718 M855 T859	V648-Q714 HydrophobicContact CG1-CB 3.64Å; L652-Q714 HydrophobicContact CD2-CB 4.47Å; L652-Q714 HydrophobicContact CD2-CG 4.15Å; L710-Q714 VanDerWaalsContact O-CB 3.25Å; L710-Q714 WeakPolarHBondContact O-CB 3.2Å; L710-Q714 WeakPolarHBondContact O-CG 3.49Å; L710-Q714 PolarHBondContact O-N 3.22Å; R711-Q714 PolarHBondContact O-N 2.98Å; V712-Q714 PolarHBondContact O-N 3.25Å; Q714-A717 PolarHBondContact O-N 3.43Å; Q714-I718 WeakPolarHBondContact O-CB 3.26Å; Q714-I718 VanDerWaalsContact O-CD1 3.25Å; Q714-I718 WeakPolarHBondContact O-CD1 3.25Å; Q714-I718 WeakPolarHBondContact O-CG1 3.46Å; Q714-I718 PolarHBondContact O-N 2.69Å; Q714-M855 HydrophobicContact CB-CG 4.32Å; Q714-M855 HydrophobicContact CG-CG 4.17Å; Q714-T859 HydrophobicContact CG-CG2 3.24Å
715	S	89.9	Confident	86.8	Confident	29 Å²	29	67.1 Å²	67.1	20%	0.203	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-51.6	175.9	-167.4	0	0	0	0	110.5	R711 V712 A717 I718 E719	R711-S715 WeakPolarHBondContact O-CB 3.12Å; R711-S715 PolarHBondContact O-N 3.39Å; V712-S715 PolarHBondContact O-N 3.49Å; S715-A717 VanDerWaalsContact C-N 3.26Å; S715-A717 PolarHBondContact O-N 2.88Å; S715-I718 PolarHBondContact O-N 3.39Å; S715-E719 WeakPolarHBondContact O-CG 3.27Å; S715-E719 PolarHBondContact O-N 3.22Å; S715-E719 PolarHBondContact OG-OE1 2.99Å
716	N	89.7	Confident	86.8	Confident	90 Å²	90	67.7 Å²	67.7	48%	0.481	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-36	179.1	-66.9	-8.4	0	0	0	112.3	V712 I718	V712-N716 WeakPolarHBondContact O-CB 3.45Å; V712-N716 PolarHBondContact O-N 3.11Å; V712-N716 PolarHBondContact O-ND2 3.18Å; V712-N716 PolarHBondContact O-OD1 2.67Å; N716-I718 VanDerWaalsContact C-N 3.29Å; N716-I718 PolarHBondContact O-N 3.5Å
717	A	88.3	Confident	86.9	Confident	6 Å²	6	71.8 Å²	71.8	5%	0.05	35%	0.349	C	S	.	.	H	α-helix	trans	-71.4	-22.7	179.1	0	0	0	0	0	113.7	I713 Q714 S715 M855 A858	I713-A717 VanDerWaalsContact O-CB 3.31Å; I713-A717 WeakPolarHBondContact O-CB 3.01Å; I713-A717 PolarHBondContact O-N 3.31Å; Q714-A717 PolarHBondContact O-N 3.43Å; S715-A717 VanDerWaalsContact C-N 3.26Å; S715-A717 PolarHBondContact O-N 2.88Å; A717-M855 HydrophobicContact CB-CB 4.19Å; A717-A858 HydrophobicContact CB-CB 4.09Å
718	I	87.4	Confident	86.8	Confident	11 Å²	11	70.8 Å²	70.8	6%	0.056	34%	0.343	C	S	.	.	H	α-helix	trans	-98.6	-24.6	-174.9	-69	165.4	0	0	0	112.5	L644 V648 Q714 S715 N716 D720 R851 M855	L644-I718 HydrophobicContact CD1-CD1 4.46Å; L644-I718 HydrophobicContact CD2-CB 4.49Å; L644-I718 HydrophobicContact CD2-CD1 4.43Å; L644-I718 HydrophobicContact CD2-CG1 4.38Å; L644-I718 HydrophobicContact CD2-CG2 3.36Å; L644-I718 HydrophobicContact CG-CD1 4.19Å; L644-I718 HydrophobicContact CG-CG2 3.88Å; V648-I718 HydrophobicContact CB-CD1 4.25Å; V648-I718 HydrophobicContact CG1-CD1 4.31Å; V648-I718 HydrophobicContact CG2-CD1 3.1Å; Q714-I718 WeakPolarHBondContact O-CB 3.26Å; Q714-I718 VanDerWaalsContact O-CD1 3.25Å; Q714-I718 WeakPolarHBondContact O-CD1 3.25Å; Q714-I718 WeakPolarHBondContact O-CG1 3.46Å; Q714-I718 PolarHBondContact O-N 2.69Å; S715-I718 PolarHBondContact O-N 3.39Å; N716-I718 VanDerWaalsContact C-N 3.29Å; N716-I718 PolarHBondContact O-N 3.5Å; I718-D720 VanDerWaalsContact C-N 3.27Å; I718-D720 PolarHBondContact O-N 2.68Å; I718-R851 VanDerWaalsContact O-CZ 3.25Å; I718-R851 PolarHBondContact O-NE 3.5Å; I718-R851 PolarHBondContact O-NH2 2.83Å; I718-M855 HydrophobicContact CD1-CB 4.33Å; I718-M855 HydrophobicContact CD1-CG 3.79Å; I718-M855 HydrophobicContact CD1-SD 3.36Å; I718-M855 WeakPolarHBondContact CD1-SD 3.49Å; I718-M855 HydrophobicContact CG1-CB 3.88Å; I718-M855 HydrophobicContact CG1-CG 3.88Å; I718-M855 HydrophobicContact CG1-SD 3.92Å
719	E	82.7	Confident	86.7	Confident	117 Å²	117	64 Å²	64	55%	0.547	32%	0.316	S	S	.	.	H	α-helix	trans	-60.9	-35.6	-179.3	-80.1	168.9	-154.3	0	0	112.8	S715 R721	S715-E719 WeakPolarHBondContact O-CG 3.27Å; S715-E719 PolarHBondContact O-N 3.22Å; S715-E719 PolarHBondContact OG-OE1 2.99Å; E719-R721 PolarHBondContact O-N 2.77Å
720	D	79.5	Confident	86.7	Confident	76 Å²	76	61.4 Å²	61.4	41%	0.406	31%	0.308	S	S	.	.			trans	-69.5	117.8	177.6	-74.8	-18.3	0	0	0	111.3	I718 W850 R851 R854	I718-D720 VanDerWaalsContact C-N 3.27Å; I718-D720 PolarHBondContact O-N 2.68Å; D720-W850 HydrophobicContact CB-CH2 4.34Å; D720-W850 HydrophobicContact CB-CZ3 4.46Å; D720-W850 WeakPolarHBondContact O-CZ3 3.47Å; D720-R851 WeakPolarHBondContact O-CG 3.46Å; D720-R854 IonicContact OD2-CZ 3.35Å; D720-R854 IonicContact OD2-NH1 3.69Å; D720-R854 PolarHBondContact OD2-NH1 3.29Å; D720-R854 IonicContact OD2-NH2 3.46Å; D720-R854 PolarHBondContact OD2-NH2 3.39Å
721	R	77.6	Confident	86.5	Confident	149 Å²	149	65.2 Å²	65.2	56%	0.562	33%	0.327	S	S	*	.			trans	-93.1	-14.4	175.5	-64.6	179.5	176.2	168	-0.8	113.6	D641 E719 Y833 V847	D641-R721 IonicContact OD2-CZ 3.33Å; D641-R721 IonicContact OD2-NE 3.42Å; D641-R721 PolarHBondContact OD2-NE 3.23Å; D641-R721 IonicContact OD2-NH2 2.67Å; D641-R721 PolarHBondContact OD2-NH2 2.85Å; E719-R721 PolarHBondContact O-N 2.77Å; R721-Y833 PolarHBondContact O-OH 3.38Å; R721-V847 VanDerWaalsContact O-CG1 3.29Å; R721-V847 WeakPolarHBondContact O-CG1 3.24Å
722	N	79.5	Confident	86.4	Confident	125 Å²	125	60.8 Å²	60.8	67%	0.668	31%	0.31	S	S	*	.			trans	-93.7	119.2	-170.1	-68.4	-0	0	0	0	110.6	P724 W850	N722-P724 WeakPolarHBondContact O-CD 3.22Å; N722-W850 WeakPolarHBondContact O-CH2 3.28Å; N722-W850 WeakPolarHBondContact O-CZ3 3.34Å
723	V	82.4	Confident	86.2	Confident	9 Å²	9	58 Å²	58	6%	0.055	29%	0.293	C	S	.	.			trans	-75	115.2	169.5	-173.2	0	0	0	0	107.9	W729 F830 Y833 W850	V723-W729 HydrophobicContact CB-CE3 4.19Å; V723-W729 HydrophobicContact CG1-CB 4.08Å; V723-W729 HydrophobicContact CG1-CE3 4.18Å; V723-W729 HydrophobicContact CG2-CE3 4.03Å; V723-W729 HydrophobicContact CG2-CZ3 4.3Å; V723-F830 HydrophobicContact CG1-CE2 4.45Å; V723-Y833 HydrophobicContact CB-CE1 3.89Å; V723-Y833 HydrophobicContact CG2-CE1 4.28Å; V723-Y833 PolarHBondContact N-OH 3.37Å; V723-Y833 VanDerWaalsContact N-OH 3.12Å; V723-W850 HydrophobicContact CB-CD2 4.45Å; V723-W850 HydrophobicContact CG1-CD2 4.48Å; V723-W850 HydrophobicContact CG1-CG 4.37Å; V723-W850 HydrophobicContact CG2-CB 4.14Å; V723-W850 HydrophobicContact CG2-CD2 3.8Å; V723-W850 HydrophobicContact CG2-CE3 3.95Å; V723-W850 HydrophobicContact CG2-CG 3.86Å
724	P	81.5	Confident	86.2	Confident	92 Å²	92	61 Å²	61	60%	0.597	31%	0.306	S	S	*	.			trans	-76.3	-33.9	-165.5	25.3	-30.8	0	0	0	113.7	N722 W850	N722-P724 WeakPolarHBondContact O-CD 3.22Å; P724-W850 VanDerWaalsContact CD-CZ2 3.41Å; P724-W850 HydrophobicContact CG-CZ2 4.29Å
725	D	84.7	Confident	86.1	Confident	60 Å²	60	62.4 Å²	62.4	32%	0.321	31%	0.312	S	S	.	.	S	Bend	trans	-143.8	161.6	-170.1	71	-68.9	0	0	0	112.3	V727 S728 W729 F830	D725-V727 VanDerWaalsContact C-N 3.27Å; D725-V727 PolarHBondContact O-N 3.2Å; D725-V727 WeakPolarHBondContact OD2-CA 3.3Å; D725-V727 WeakPolarHBondContact OD2-CB 3.22Å; D725-V727 PolarHBondContact OD2-N 3.34Å; D725-S728 WeakPolarHBondContact O-CB 3.09Å; D725-S728 PolarHBondContact O-N 3.06Å; D725-S728 WeakPolarHBondContact OD1-CB 3Å; D725-S728 PolarHBondContact OD1-OG 3.3Å; D725-S728 PolarHBondContact OD2-N 3.46Å; D725-W729 PolarHBondContact O-N 2.97Å; D725-W729 VanDerWaalsContact O-N 3.13Å; D725-F830 VanDerWaalsContact C-CZ 3.43Å
726	R	86.7	Confident	86	Confident	140 Å²	140	61 Å²	61	53%	0.528	30%	0.302	S	S	.	.	H	α-helix	trans	-62.1	-33.4	-179.8	-178.4	177.4	170.1	162.1	2.5	112.5	W729 E730 F830	R726-W729 WeakPolarHBondContact O-CB 3.48Å; R726-W729 PolarHBondContact O-N 3.4Å; R726-E730 HydrophobicContact CG-CG 4.42Å; R726-E730 IonicContact CZ-OE1 3.52Å; R726-E730 IonicContact NE-OE1 2.82Å; R726-E730 PolarHBondContact NE-OE1 2.77Å; R726-E730 IonicContact NH2-OE1 3.32Å; R726-E730 PolarHBondContact NH2-OE1 2.89Å; R726-E730 WeakPolarHBondContact O-CG 3.29Å; R726-E730 PolarHBondContact O-N 2.94Å; R726-F830 HydrophobicContact CB-CD1 3.79Å; R726-F830 HydrophobicContact CB-CE1 3.96Å; R726-F830 HydrophobicContact CB-CG 4.23Å; R726-F830 HydrophobicContact CG-CD1 4.24Å; R726-F830 HydrophobicContact CG-CG 4.41Å
727	V	88.9	Confident	86	Confident	88 Å²	88	58.6 Å²	58.6	53%	0.533	29%	0.288	S	S	.	.	H	α-helix	trans	-68.7	-42.7	179.5	-171.3	0	0	0	0	109.6	D725 W729 E730 M731	D725-V727 VanDerWaalsContact C-N 3.27Å; D725-V727 PolarHBondContact O-N 3.2Å; D725-V727 WeakPolarHBondContact OD2-CA 3.3Å; D725-V727 WeakPolarHBondContact OD2-CB 3.22Å; D725-V727 PolarHBondContact OD2-N 3.34Å; V727-W729 VanDerWaalsContact C-N 3.28Å; V727-W729 PolarHBondContact O-N 3.38Å; V727-E730 PolarHBondContact O-N 2.99Å; V727-M731 HydrophobicContact CG1-CE 4.28Å; V727-M731 HydrophobicContact CG1-CG 4.5Å; V727-M731 WeakPolarHBondContact O-CB 3.31Å; V727-M731 WeakPolarHBondContact O-CG 3.37Å; V727-M731 PolarHBondContact O-N 3.38Å
728	S	87	Confident	86	Confident	16 Å²	16	62 Å²	62	11%	0.112	31%	0.309	C	S	.	.	H	α-helix	trans	-57.6	-39	171.6	-74.1	0	0	0	0	113.3	D725 A732	D725-S728 WeakPolarHBondContact O-CB 3.09Å; D725-S728 PolarHBondContact O-N 3.06Å; D725-S728 WeakPolarHBondContact OD1-CB 3Å; D725-S728 PolarHBondContact OD1-OG 3.3Å; D725-S728 PolarHBondContact OD2-N 3.46Å; S728-A732 WeakPolarHBondContact O-CB 3.35Å; S728-A732 PolarHBondContact O-N 3.28Å
729	W	88.2	Confident	86.1	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67	-45.3	175.4	-175.4	-91	0	0	0	112.4	V723 D725 R726 V727 M731 A732 T733 C826 F830 Y833 C843 V846 V847	V723-W729 HydrophobicContact CB-CE3 4.19Å; V723-W729 HydrophobicContact CG1-CB 4.08Å; V723-W729 HydrophobicContact CG1-CE3 4.18Å; V723-W729 HydrophobicContact CG2-CE3 4.03Å; V723-W729 HydrophobicContact CG2-CZ3 4.3Å; D725-W729 PolarHBondContact O-N 2.97Å; D725-W729 VanDerWaalsContact O-N 3.13Å; R726-W729 WeakPolarHBondContact O-CB 3.48Å; R726-W729 PolarHBondContact O-N 3.4Å; V727-W729 VanDerWaalsContact C-N 3.28Å; V727-W729 PolarHBondContact O-N 3.38Å; W729-M731 VanDerWaalsContact C-N 3.34Å; W729-M731 PolarHBondContact O-N 2.8Å; W729-A732 PolarHBondContact O-N 2.87Å; W729-T733 WeakPolarHBondContact O-CG2 3.4Å; W729-T733 PolarHBondContact O-N 2.82Å; W729-T733 PolarHBondContact O-OG1 2.92Å; W729-C826 HydrophobicContact CZ2-CB 4.33Å; W729-C826 PolarHBondContact NE1-O 3.32Å; W729-F830 HydrophobicContact CB-CB 4.39Å; W729-F830 HydrophobicContact CB-CD2 3.46Å; W729-F830 VanDerWaalsContact CB-CD2 3.46Å; W729-F830 HydrophobicContact CB-CE2 4.07Å; W729-F830 HydrophobicContact CB-CG 4.2Å; W729-F830 HydrophobicContact CD2-CB 4.43Å; W729-F830 AromaticContact CD2-CD2 3.91Å; W729-F830 HydrophobicContact CD2-CD2 3.91Å; W729-F830 HydrophobicContact CE3-CD2 4.12Å; W729-F830 HydrophobicContact CG-CB 3.98Å; W729-F830 AromaticContact CG-CD2 3.63Å; W729-F830 HydrophobicContact CG-CD2 3.63Å; W729-F830 HydrophobicContact CG-CG 4.23Å; W729-Y833 HydrophobicContact CE3-CD1 4.21Å; W729-Y833 HydrophobicContact CE3-CG 4.31Å; W729-Y833 HydrophobicContact CH2-CD2 4.15Å; W729-Y833 HydrophobicContact CH2-CG 4.09Å; W729-Y833 AromaticContact CZ3-CD1 3.98Å; W729-Y833 HydrophobicContact CZ3-CD1 3.98Å; W729-Y833 AromaticContact CZ3-CD2 3.81Å; W729-Y833 HydrophobicContact CZ3-CD2 3.81Å; W729-Y833 HydrophobicContact CZ3-CE1 4.36Å; W729-Y833 HydrophobicContact CZ3-CE2 4.21Å; W729-Y833 AromaticContact CZ3-CG 3.68Å; W729-Y833 HydrophobicContact CZ3-CG 3.68Å; W729-C843 HydrophobicContact CH2-CB 4.33Å; W729-V846 HydrophobicContact CD2-CG1 4Å; W729-V846 HydrophobicContact CE3-CG1 3.98Å; W729-V846 HydrophobicContact CH2-CB 3.81Å; W729-V846 HydrophobicContact CH2-CG1 3.79Å; W729-V846 HydrophobicContact CH2-CG2 4.41Å; W729-V846 HydrophobicContact CZ2-CB 4.03Å; W729-V846 HydrophobicContact CZ2-CG1 3.82Å; W729-V846 HydrophobicContact CZ2-CG2 4.22Å; W729-V846 HydrophobicContact CZ3-CB 4.22Å; W729-V846 HydrophobicContact CZ3-CG1 3.87Å; W729-V847 HydrophobicContact CZ3-CG2 4.23Å
730	E	88.9	Confident	86.3	Confident	63 Å²	63	56.1 Å²	56.1	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-63	-40.4	176.1	-73.6	177.1	-174	0	0	111.4	R726 V727 T733 Q734	R726-E730 HydrophobicContact CG-CG 4.42Å; R726-E730 IonicContact CZ-OE1 3.52Å; R726-E730 IonicContact NE-OE1 2.82Å; R726-E730 PolarHBondContact NE-OE1 2.77Å; R726-E730 IonicContact NH2-OE1 3.32Å; R726-E730 PolarHBondContact NH2-OE1 2.89Å; R726-E730 WeakPolarHBondContact O-CG 3.29Å; R726-E730 PolarHBondContact O-N 2.94Å; V727-E730 PolarHBondContact O-N 2.99Å; E730-T733 WeakPolarHBondContact CA-OG1 3.42Å; E730-T733 PolarHBondContact O-N 3.37Å; E730-T733 PolarHBondContact O-OG1 2.75Å; E730-Q734 VanDerWaalsContact O-CB 3.28Å; E730-Q734 WeakPolarHBondContact O-CB 3.32Å; E730-Q734 PolarHBondContact O-N 2.81Å
731	M	88.4	Confident	86.8	Confident	81 Å²	81	56.1 Å²	56.1	40%	0.399	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-41.9	173	-72.8	-171.7	-65.7	0	0	112.1	V727 W729 Q734 F735	V727-M731 HydrophobicContact CG1-CE 4.28Å; V727-M731 HydrophobicContact CG1-CG 4.5Å; V727-M731 WeakPolarHBondContact O-CB 3.31Å; V727-M731 WeakPolarHBondContact O-CG 3.37Å; V727-M731 PolarHBondContact O-N 3.38Å; W729-M731 VanDerWaalsContact C-N 3.34Å; W729-M731 PolarHBondContact O-N 2.8Å; M731-Q734 PolarHBondContact O-N 2.82Å; M731-F735 WeakPolarHBondContact O-CB 3.5Å; M731-F735 PolarHBondContact O-N 3.48Å
732	A	88.6	Confident	87.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.4	-42.6	178.5	0	0	0	0	0	112.6	S728 W729 F735 M736 V846 W850	S728-A732 WeakPolarHBondContact O-CB 3.35Å; S728-A732 PolarHBondContact O-N 3.28Å; W729-A732 PolarHBondContact O-N 2.87Å; A732-F735 PolarHBondContact O-N 2.94Å; A732-M736 WeakPolarHBondContact O-CB 3.39Å; A732-M736 PolarHBondContact O-N 2.85Å; A732-V846 HydrophobicContact CB-CG1 3.98Å; A732-W850 HydrophobicContact CB-CB 3.56Å; A732-W850 HydrophobicContact CB-CG 4.2Å
733	T	87.6	Confident	87.5	Confident	3 Å²	3	49 Å²	49	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-67.2	-39.7	176.6	51.3	0	0	0	0	111.5	W729 E730 M736 E737 C826 V846	W729-T733 WeakPolarHBondContact O-CG2 3.4Å; W729-T733 PolarHBondContact O-N 2.82Å; W729-T733 PolarHBondContact O-OG1 2.92Å; E730-T733 WeakPolarHBondContact CA-OG1 3.42Å; E730-T733 PolarHBondContact O-N 3.37Å; E730-T733 PolarHBondContact O-OG1 2.75Å; T733-M736 PolarHBondContact O-N 3.29Å; T733-E737 WeakPolarHBondContact O-CB 3.33Å; T733-E737 PolarHBondContact O-N 2.64Å; T733-C826 HydrophobicContact CG2-CB 4.34Å; T733-V846 HydrophobicContact CG2-CB 4.44Å; T733-V846 HydrophobicContact CG2-CG1 3.57Å; T733-V846 HydrophobicContact CG2-CG2 3.94Å
734	Q	90	Very high	87.7	Confident	126 Å²	126	49.1 Å²	49.1	59%	0.589	25%	0.247	S	C	*	.	H	α-helix	trans	-65.7	-40.9	173.7	-174.4	175.7	7.4	0	0	112.2	E730 M731 E737 T738	E730-Q734 VanDerWaalsContact O-CB 3.28Å; E730-Q734 WeakPolarHBondContact O-CB 3.32Å; E730-Q734 PolarHBondContact O-N 2.81Å; M731-Q734 PolarHBondContact O-N 2.82Å; Q734-E737 PolarHBondContact O-N 3.09Å; Q734-T738 WeakPolarHBondContact O-CB 3.37Å; Q734-T738 PolarHBondContact O-N 2.82Å; Q734-T738 PolarHBondContact O-OG1 2.85Å
735	F	89.8	Confident	87.9	Confident	30 Å²	30	49.8 Å²	49.8	13%	0.132	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-47.8	174.7	-178.7	-110.2	0	0	0	111	W612 M731 A732 E737 T738 T739 F849 I852 H853 L856	W612-F735 HydrophobicContact CD2-CZ 4.3Å; W612-F735 HydrophobicContact CE3-CE2 4.42Å; W612-F735 AromaticContact CE3-CZ 3.81Å; W612-F735 HydrophobicContact CE3-CZ 3.81Å; W612-F735 HydrophobicContact CH2-CE1 4.02Å; W612-F735 HydrophobicContact CH2-CE2 4.45Å; W612-F735 AromaticContact CH2-CZ 3.57Å; W612-F735 HydrophobicContact CH2-CZ 3.57Å; W612-F735 HydrophobicContact CZ2-CZ 4.1Å; W612-F735 HydrophobicContact CZ3-CE1 4.09Å; W612-F735 HydrophobicContact CZ3-CE2 4.37Å; W612-F735 AromaticContact CZ3-CZ 3.41Å; W612-F735 HydrophobicContact CZ3-CZ 3.41Å; W612-F735 VanDerWaalsContact CZ3-CZ 3.41Å; M731-F735 WeakPolarHBondContact O-CB 3.5Å; M731-F735 PolarHBondContact O-N 3.48Å; A732-F735 PolarHBondContact O-N 2.94Å; F735-E737 PolarHBondContact O-N 2.9Å; F735-T738 PolarHBondContact O-N 2.92Å; F735-T739 HydrophobicContact CD1-CG2 4.42Å; F735-T739 HydrophobicContact CD2-CG2 3.97Å; F735-T739 HydrophobicContact CE1-CG2 4.22Å; F735-T739 HydrophobicContact CE2-CG2 3.74Å; F735-T739 HydrophobicContact CG-CG2 4.32Å; F735-T739 HydrophobicContact CZ-CG2 3.89Å; F735-T739 WeakPolarHBondContact O-CB 3.41Å; F735-T739 WeakPolarHBondContact O-CG2 3.46Å; F735-T739 PolarHBondContact O-N 2.91Å; F735-T739 PolarHBondContact O-OG1 2.85Å; F735-F849 HydrophobicContact CD1-CB 4.32Å; F735-F849 HydrophobicContact CD1-CD1 4.04Å; F735-F849 HydrophobicContact CE1-CD1 4.09Å; F735-I852 HydrophobicContact CE1-CG2 4.37Å; F735-H853 HydrophobicContact CD1-CB 3.78Å; F735-H853 AromaticContact CD2-CD2 3.71Å; F735-H853 HydrophobicContact CE1-CB 3.94Å; F735-H853 AromaticContact CE2-CD2 3.97Å; F735-H853 HydrophobicContact CG-CB 4.16Å; F735-H853 AromaticContact CG-CD2 3.89Å; F735-H853 HydrophobicContact CZ-CB 4.45Å; F735-L856 HydrophobicContact CZ-CD2 4.44Å
736	M	88.7	Confident	87.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-46.4	174.4	-177.5	176.6	174.9	0	0	111.5	A732 T733 T738 T739 V740 A819 A823 V846 F849	A732-M736 WeakPolarHBondContact O-CB 3.39Å; A732-M736 PolarHBondContact O-N 2.85Å; T733-M736 PolarHBondContact O-N 3.29Å; M736-T738 PolarHBondContact O-N 3.06Å; M736-T739 WeakPolarHBondContact CA-OG1 3.19Å; M736-T739 PolarHBondContact O-N 2.8Å; M736-T739 PolarHBondContact O-OG1 2.81Å; M736-T739 VanDerWaalsContact O-OG1 3.09Å; M736-V740 HydrophobicContact CG-CG2 4.18Å; M736-V740 VanDerWaalsContact O-CB 3.24Å; M736-V740 WeakPolarHBondContact O-CB 3.35Å; M736-V740 WeakPolarHBondContact O-CG2 3.12Å; M736-V740 PolarHBondContact O-N 2.76Å; M736-A819 HydrophobicContact CE-CB 4.4Å; M736-A823 HydrophobicContact CB-CB 4.43Å; M736-A823 HydrophobicContact CE-CB 4.11Å; M736-A823 HydrophobicContact CG-CB 3.93Å; M736-A823 HydrophobicContact SD-CB 3.89Å; M736-V846 HydrophobicContact SD-CG2 4.1Å; M736-F849 HydrophobicContact CB-CB 4.01Å; M736-F849 HydrophobicContact CB-CD1 4.21Å; M736-F849 HydrophobicContact CB-CD2 3.91Å; M736-F849 HydrophobicContact CB-CE2 4.48Å; M736-F849 HydrophobicContact CB-CG 3.78Å; M736-F849 HydrophobicContact CE-CD2 4.28Å; M736-F849 HydrophobicContact CE-CE2 4.12Å; M736-F849 HydrophobicContact CG-CD1 4.41Å; M736-F849 HydrophobicContact CG-CD2 3.49Å; M736-F849 VanDerWaalsContact CG-CD2 3.49Å; M736-F849 HydrophobicContact CG-CE2 3.7Å; M736-F849 HydrophobicContact CG-CG 3.9Å; M736-F849 HydrophobicContact CG-CZ 4.24Å; M736-F849 HydrophobicContact SD-CD2 3.65Å; M736-F849 HydrophobicContact SD-CE2 4.05Å; M736-F849 HydrophobicContact SD-CG 4.42Å
737	E	89.2	Confident	87.5	Confident	38 Å²	38	45 Å²	45	18%	0.178	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-45.2	178.7	-175.8	177.5	-170.1	0	0	111.6	T733 Q734 F735 K741 L820 R824	T733-E737 WeakPolarHBondContact O-CB 3.33Å; T733-E737 PolarHBondContact O-N 2.64Å; Q734-E737 PolarHBondContact O-N 3.09Å; F735-E737 PolarHBondContact O-N 2.9Å; E737-K741 VanDerWaalsContact CD-NZ 3.25Å; E737-K741 HydrophobicContact CG-CD 4.08Å; E737-K741 VanDerWaalsContact CG-CE 3.46Å; E737-K741 VanDerWaalsContact O-CB 3.29Å; E737-K741 WeakPolarHBondContact O-CB 3.36Å; E737-K741 WeakPolarHBondContact O-CG 3.43Å; E737-K741 PolarHBondContact O-N 3.2Å; E737-K741 WeakPolarHBondContact OE1-CE 3.31Å; E737-K741 IonicContact OE1-NZ 2.66Å; E737-K741 PolarHBondContact OE1-NZ 3.49Å; E737-L820 HydrophobicContact CG-CD1 3.84Å; E737-R824 IonicContact OE1-CZ 2.7Å; E737-R824 IonicContact OE1-NE 2.7Å; E737-R824 PolarHBondContact OE1-NE 2.96Å; E737-R824 VanDerWaalsContact OE1-NE 3.16Å; E737-R824 IonicContact OE1-NH2 3.69Å
738	T	89.7	Confident	87.1	Confident	79 Å²	79	44.8 Å²	44.8	49%	0.485	23%	0.225	S	C	.	.	H	α-helix	trans	-66	-45.1	-178.2	-53.4	0	0	0	0	111.2	Q734 F735 M736 K741 E742	Q734-T738 WeakPolarHBondContact O-CB 3.37Å; Q734-T738 PolarHBondContact O-N 2.82Å; Q734-T738 PolarHBondContact O-OG1 2.85Å; F735-T738 PolarHBondContact O-N 2.92Å; M736-T738 PolarHBondContact O-N 3.06Å; T738-K741 PolarHBondContact O-N 3.15Å; T738-E742 WeakPolarHBondContact O-CB 3.42Å; T738-E742 PolarHBondContact O-N 2.84Å
739	T	88.4	Confident	86.9	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-71.2	-40.1	-177.3	55.5	0	0	0	0	112.6	W612 F735 M736 E742 Q743	W612-T739 HydrophobicContact CH2-CG2 3.78Å; W612-T739 HydrophobicContact CZ2-CG2 3.09Å; F735-T739 HydrophobicContact CD1-CG2 4.42Å; F735-T739 HydrophobicContact CD2-CG2 3.97Å; F735-T739 HydrophobicContact CE1-CG2 4.22Å; F735-T739 HydrophobicContact CE2-CG2 3.74Å; F735-T739 HydrophobicContact CG-CG2 4.32Å; F735-T739 HydrophobicContact CZ-CG2 3.89Å; F735-T739 WeakPolarHBondContact O-CB 3.41Å; F735-T739 WeakPolarHBondContact O-CG2 3.46Å; F735-T739 PolarHBondContact O-N 2.91Å; F735-T739 PolarHBondContact O-OG1 2.85Å; M736-T739 WeakPolarHBondContact CA-OG1 3.19Å; M736-T739 PolarHBondContact O-N 2.8Å; M736-T739 PolarHBondContact O-OG1 2.81Å; M736-T739 VanDerWaalsContact O-OG1 3.09Å; T739-E742 PolarHBondContact O-N 3.34Å; T739-Q743 WeakPolarHBondContact O-CG 3.33Å; T739-Q743 PolarHBondContact O-N 3.32Å
740	V	87.1	Confident	86.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.3	-38.7	174	172.6	0	0	0	0	110.8	F620 M736 Q743 L744 L816 A819 L820 F849	F620-V740 HydrophobicContact CE1-CG2 4.15Å; F620-V740 HydrophobicContact CZ-CG2 4.39Å; M736-V740 HydrophobicContact CG-CG2 4.18Å; M736-V740 VanDerWaalsContact O-CB 3.24Å; M736-V740 WeakPolarHBondContact O-CB 3.35Å; M736-V740 WeakPolarHBondContact O-CG2 3.12Å; M736-V740 PolarHBondContact O-N 2.76Å; V740-Q743 PolarHBondContact O-N 2.7Å; V740-L744 VanDerWaalsContact O-CB 3.25Å; V740-L744 WeakPolarHBondContact O-CB 3.44Å; V740-L744 PolarHBondContact O-N 3.13Å; V740-L816 HydrophobicContact CG1-CB 4.34Å; V740-L816 HydrophobicContact CG1-CD2 4.06Å; V740-L816 VanDerWaalsContact CG1-O 3.32Å; V740-L816 WeakPolarHBondContact CG1-O 3.29Å; V740-A819 HydrophobicContact CG1-CB 4.24Å; V740-A819 HydrophobicContact CG2-CB 4.47Å; V740-L820 HydrophobicContact CG1-CB 4.03Å; V740-L820 HydrophobicContact CG1-CD1 4.28Å; V740-F849 HydrophobicContact CG2-CZ 4.38Å
741	K	89.7	Confident	85.4	Confident	77 Å²	77	51 Å²	51	34%	0.335	26%	0.256	S	S	.	.	H	α-helix	trans	-61.5	-46.7	173.3	-79.8	173.9	-176.5	169.8	0	112.1	E737 T738 Q743 L744 I745 L820	E737-K741 VanDerWaalsContact CD-NZ 3.25Å; E737-K741 HydrophobicContact CG-CD 4.08Å; E737-K741 VanDerWaalsContact CG-CE 3.46Å; E737-K741 VanDerWaalsContact O-CB 3.29Å; E737-K741 WeakPolarHBondContact O-CB 3.36Å; E737-K741 WeakPolarHBondContact O-CG 3.43Å; E737-K741 PolarHBondContact O-N 3.2Å; E737-K741 WeakPolarHBondContact OE1-CE 3.31Å; E737-K741 IonicContact OE1-NZ 2.66Å; E737-K741 PolarHBondContact OE1-NZ 3.49Å; T738-K741 PolarHBondContact O-N 3.15Å; K741-Q743 VanDerWaalsContact C-N 3.34Å; K741-Q743 PolarHBondContact O-N 2.86Å; K741-L744 WeakPolarHBondContact O-CB 2.88Å; K741-L744 PolarHBondContact O-N 3.01Å; K741-I745 VanDerWaalsContact O-CG1 3.31Å; K741-I745 WeakPolarHBondContact O-CG1 3.22Å; K741-I745 PolarHBondContact O-N 3.3Å; K741-L820 HydrophobicContact CD-CD1 4.37Å; K741-L820 HydrophobicContact CG-CD1 3.57Å; K741-L820 HydrophobicContact CG-CD2 4.38Å
742	E	87.2	Confident	84.6	Confident	87 Å²	87	53.7 Å²	53.7	41%	0.407	26%	0.261	S	S	.	.	H	α-helix	trans	-59.8	-45.7	179.1	-172.1	-177.2	-175.5	0	0	111	T738 T739 L744 I745 N746	T738-E742 WeakPolarHBondContact O-CB 3.42Å; T738-E742 PolarHBondContact O-N 2.84Å; T739-E742 PolarHBondContact O-N 3.34Å; E742-L744 PolarHBondContact O-N 3.46Å; E742-I745 PolarHBondContact O-N 3.4Å; E742-N746 PolarHBondContact O-N 2.85Å; E742-N746 PolarHBondContact O-ND2 2.98Å
743	Q	85.4	Confident	83.7	Confident	36 Å²	36	59.2 Å²	59.2	17%	0.168	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-34.8	175.5	-71.7	-61.6	-13	0	0	113.5	F620 T739 V740 K741 N746 A747 L816	F620-Q743 HydrophobicContact CD1-CG 4.31Å; F620-Q743 HydrophobicContact CD2-CG 3.42Å; F620-Q743 VanDerWaalsContact CD2-CG 3.42Å; F620-Q743 HydrophobicContact CE1-CG 4.21Å; F620-Q743 HydrophobicContact CE2-CB 4.47Å; F620-Q743 HydrophobicContact CE2-CG 3.33Å; F620-Q743 HydrophobicContact CG-CG 3.95Å; F620-Q743 HydrophobicContact CZ-CB 4.48Å; F620-Q743 HydrophobicContact CZ-CG 3.75Å; T739-Q743 WeakPolarHBondContact O-CG 3.33Å; T739-Q743 PolarHBondContact O-N 3.32Å; V740-Q743 PolarHBondContact O-N 2.7Å; K741-Q743 VanDerWaalsContact C-N 3.34Å; K741-Q743 PolarHBondContact O-N 2.86Å; Q743-N746 PolarHBondContact O-N 3.3Å; Q743-A747 VanDerWaalsContact O-CB 3.23Å; Q743-A747 WeakPolarHBondContact O-CB 3.48Å; Q743-A747 PolarHBondContact O-N 2.92Å; Q743-L816 HydrophobicContact CB-CD1 4.25Å; Q743-L816 HydrophobicContact CB-CD2 4.34Å
744	L	86.1	Confident	82.5	Confident	13 Å²	13	62.9 Å²	62.9	7%	0.068	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-43.4	174.6	-179	67.3	0	0	0	110.6	V740 K741 E742 N746 A747 E748 R813 L816 L820	V740-L744 VanDerWaalsContact O-CB 3.25Å; V740-L744 WeakPolarHBondContact O-CB 3.44Å; V740-L744 PolarHBondContact O-N 3.13Å; K741-L744 WeakPolarHBondContact O-CB 2.88Å; K741-L744 PolarHBondContact O-N 3.01Å; E742-L744 PolarHBondContact O-N 3.46Å; L744-N746 PolarHBondContact O-N 2.88Å; L744-A747 PolarHBondContact O-N 3.4Å; L744-E748 HydrophobicContact CD1-CG 4.38Å; L744-E748 HydrophobicContact CG-CG 4.45Å; L744-E748 WeakPolarHBondContact O-CB 3.42Å; L744-E748 VanDerWaalsContact O-CG 3.27Å; L744-E748 WeakPolarHBondContact O-CG 3.47Å; L744-E748 PolarHBondContact O-N 3.46Å; L744-R813 HydrophobicContact CD1-CG 4.04Å; L744-L816 HydrophobicContact CB-CB 4.47Å; L744-L816 HydrophobicContact CD1-CB 4.03Å; L744-L820 HydrophobicContact CD2-CD2 4.44Å
745	I	86.2	Confident	81.3	Confident	106 Å²	106	61.3 Å²	61.3	54%	0.544	30%	0.304	S	S	.	.	H	α-helix	trans	-62	-44.1	175.8	-66.7	163.9	0	0	0	110.4	K741 E742 E748 H749	K741-I745 VanDerWaalsContact O-CG1 3.31Å; K741-I745 WeakPolarHBondContact O-CG1 3.22Å; K741-I745 PolarHBondContact O-N 3.3Å; E742-I745 PolarHBondContact O-N 3.4Å; I745-E748 PolarHBondContact O-N 3.13Å; I745-H749 WeakPolarHBondContact O-CB 3.29Å; I745-H749 PolarHBondContact O-N 3.09Å
746	N	83.8	Confident	80.1	Confident	76 Å²	76	60.2 Å²	60.2	41%	0.406	30%	0.301	S	S	.	.	H	α-helix	trans	-64.3	-41.2	176.5	-68.6	-21.2	0	0	0	112.1	E742 Q743 L744 H749 T750	E742-N746 PolarHBondContact O-N 2.85Å; E742-N746 PolarHBondContact O-ND2 2.98Å; Q743-N746 PolarHBondContact O-N 3.3Å; L744-N746 PolarHBondContact O-N 2.88Å; N746-H749 PolarHBondContact O-N 2.79Å; N746-T750 WeakPolarHBondContact O-CB 3.44Å; N746-T750 WeakPolarHBondContact O-CG2 3.27Å; N746-T750 PolarHBondContact O-N 3.3Å; N746-T750 PolarHBondContact O-OG1 3.02Å
747	A	77.7	Confident	79	Confident	23 Å²	23	61.3 Å²	61.3	19%	0.19	31%	0.308	C	S	.	.	H	α-helix	trans	-67.1	-38.1	176.1	0	0	0	0	0	112.1	Q743 L744 T750 F751 L816	Q743-A747 VanDerWaalsContact O-CB 3.23Å; Q743-A747 WeakPolarHBondContact O-CB 3.48Å; Q743-A747 PolarHBondContact O-N 2.92Å; L744-A747 PolarHBondContact O-N 3.4Å; A747-T750 WeakPolarHBondContact CA-OG1 3.31Å; A747-T750 PolarHBondContact O-OG1 2.78Å; A747-F751 WeakPolarHBondContact O-CB 3.45Å; A747-F751 PolarHBondContact O-N 3.1Å; A747-L816 HydrophobicContact CB-CD1 4.15Å
748	E	82.4	Confident	77.9	Confident	83 Å²	83	61.1 Å²	61.1	39%	0.388	32%	0.317	S	S	.	.	H	α-helix	trans	-69.2	-39.6	174.8	-76.5	177.7	173.8	0	0	111.7	L744 I745 F751 R752 H817	L744-E748 HydrophobicContact CD1-CG 4.38Å; L744-E748 HydrophobicContact CG-CG 4.45Å; L744-E748 WeakPolarHBondContact O-CB 3.42Å; L744-E748 VanDerWaalsContact O-CG 3.27Å; L744-E748 WeakPolarHBondContact O-CG 3.47Å; L744-E748 PolarHBondContact O-N 3.46Å; I745-E748 PolarHBondContact O-N 3.13Å; E748-F751 PolarHBondContact O-N 2.82Å; E748-R752 VanDerWaalsContact O-CB 3.25Å; E748-R752 WeakPolarHBondContact O-CB 3.41Å; E748-R752 PolarHBondContact O-N 3.46Å; E748-H817 IonicContact OE1-CE1 3.93Å; E748-H817 IonicContact OE1-NE2 3.94Å
749	H	81.5	Confident	76.3	Confident	108 Å²	108	67.2 Å²	67.2	50%	0.5	33%	0.331	S	S	.	.	H	α-helix	trans	-63.9	-51.3	175.8	-173	-85.3	0	0	0	111.1	I745 N746 F751 R752 E753	I745-H749 WeakPolarHBondContact O-CB 3.29Å; I745-H749 PolarHBondContact O-N 3.09Å; N746-H749 PolarHBondContact O-N 2.79Å; H749-F751 VanDerWaalsContact C-N 3.33Å; H749-F751 PolarHBondContact O-N 3.27Å; H749-R752 WeakPolarHBondContact O-CB 3.44Å; H749-R752 PolarHBondContact O-N 3.25Å; H749-R752 VanDerWaalsContact O-N 3.12Å; H749-E753 VanDerWaalsContact CE1-CD 3.43Å; H749-E753 IonicContact CE1-OE1 2.74Å; H749-E753 PolarHBondContact CE1-OE1 2.87Å; H749-E753 IonicContact ND1-OE1 3.89Å; H749-E753 IonicContact ND1-OE2 3.08Å; H749-E753 WeakPolarHBondContact O-CG 3.49Å; H749-E753 PolarHBondContact O-N 2.97Å
750	T	74.8	Confident	75.2	Confident	58 Å²	58	70.2 Å²	70.2	36%	0.356	35%	0.352	S	S	.	.	H	α-helix	trans	-60.5	-42.7	176.4	49.5	0	0	0	0	111.5	N746 A747 R752 E753 M754	N746-T750 WeakPolarHBondContact O-CB 3.44Å; N746-T750 WeakPolarHBondContact O-CG2 3.27Å; N746-T750 PolarHBondContact O-N 3.3Å; N746-T750 PolarHBondContact O-OG1 3.02Å; A747-T750 WeakPolarHBondContact CA-OG1 3.31Å; A747-T750 PolarHBondContact O-OG1 2.78Å; T750-R752 VanDerWaalsContact C-N 3.33Å; T750-R752 PolarHBondContact O-N 2.99Å; T750-E753 PolarHBondContact O-N 2.89Å; T750-M754 WeakPolarHBondContact O-CE 3.45Å; T750-M754 WeakPolarHBondContact O-CG 3.43Å; T750-M754 PolarHBondContact O-N 3.41Å
751	F	71	Confident	74.1	Confident	44 Å²	44	72.7 Å²	72.7	19%	0.193	36%	0.363	C	S	.	.	H	α-helix	trans	-59.5	-42.1	173.2	-175.4	-100.9	0	0	0	112.4	A747 E748 H749 M754 V755 V806 H809 L810	A747-F751 WeakPolarHBondContact O-CB 3.45Å; A747-F751 PolarHBondContact O-N 3.1Å; E748-F751 PolarHBondContact O-N 2.82Å; H749-F751 VanDerWaalsContact C-N 3.33Å; H749-F751 PolarHBondContact O-N 3.27Å; F751-M754 PolarHBondContact O-N 2.84Å; F751-V755 HydrophobicContact CD1-CG2 4.09Å; F751-V755 HydrophobicContact CD2-CG2 4.2Å; F751-V755 HydrophobicContact CE1-CG2 3.69Å; F751-V755 HydrophobicContact CE2-CG2 3.82Å; F751-V755 HydrophobicContact CG-CG2 4.34Å; F751-V755 HydrophobicContact CZ-CG2 3.55Å; F751-V755 WeakPolarHBondContact O-CB 3.38Å; F751-V755 WeakPolarHBondContact O-CG2 3.38Å; F751-V755 PolarHBondContact O-N 3.33Å; F751-V806 HydrophobicContact CE2-CG1 3.9Å; F751-V806 HydrophobicContact CZ-CG1 4.45Å; F751-H809 HydrophobicContact CD2-CB 3.93Å; F751-L810 HydrophobicContact CE2-CD2 4.27Å; F751-L810 HydrophobicContact CZ-CD2 4.24Å
752	R	71.8	Confident	73	Confident	137 Å²	137	74.1 Å²	74.1	52%	0.517	37%	0.37	S	S	.	.	H	α-helix	trans	-67.1	-37.1	177.2	-170.8	175.2	-177.1	-178.1	-4.3	112.3	E748 H749 T750 M754 G756 E761	E748-R752 VanDerWaalsContact O-CB 3.25Å; E748-R752 WeakPolarHBondContact O-CB 3.41Å; E748-R752 PolarHBondContact O-N 3.46Å; H749-R752 WeakPolarHBondContact O-CB 3.44Å; H749-R752 PolarHBondContact O-N 3.25Å; H749-R752 VanDerWaalsContact O-N 3.12Å; T750-R752 VanDerWaalsContact C-N 3.33Å; T750-R752 PolarHBondContact O-N 2.99Å; R752-M754 VanDerWaalsContact C-N 3.32Å; R752-G756 WeakPolarHBondContact O-CA 3.44Å; R752-G756 PolarHBondContact O-N 3.47Å; R752-E761 IonicContact CZ-OE1 3.77Å; R752-E761 IonicContact CZ-OE2 3.16Å; R752-E761 IonicContact NE-OE1 3.61Å; R752-E761 IonicContact NE-OE2 3.67Å; R752-E761 PolarHBondContact NE-OE2 3.36Å; R752-E761 IonicContact NH2-OE1 2.75Å; R752-E761 PolarHBondContact NH2-OE1 3.46Å; R752-E761 IonicContact NH2-OE2 3.98Å; R752-E761 PolarHBondContact NH2-OE2 2.85Å
753	E	70.6	Confident	71.8	Confident	116 Å²	116	76 Å²	76	54%	0.542	37%	0.373	S	S	.	.	H	α-helix	trans	-63.6	-37.4	172.4	-73.5	-176.5	147.1	0	0	112	H749 T750 Q773	H749-E753 VanDerWaalsContact CE1-CD 3.43Å; H749-E753 IonicContact CE1-OE1 2.74Å; H749-E753 PolarHBondContact CE1-OE1 2.87Å; H749-E753 IonicContact ND1-OE1 3.89Å; H749-E753 IonicContact ND1-OE2 3.08Å; H749-E753 WeakPolarHBondContact O-CG 3.49Å; H749-E753 PolarHBondContact O-N 2.97Å; T750-E753 PolarHBondContact O-N 2.89Å; E753-Q773 PolarHBondContact O-NE2 2.82Å
754	M	62.4	Low	71	Confident	81 Å²	81	80 Å²	80	40%	0.399	40%	0.395	S	S	.	.	H	α-helix	trans	-73.6	-46.8	177.2	-72.6	-176.6	-74.2	0	0	113.1	T750 F751 R752 G756 H809	T750-M754 WeakPolarHBondContact O-CE 3.45Å; T750-M754 WeakPolarHBondContact O-CG 3.43Å; T750-M754 PolarHBondContact O-N 3.41Å; F751-M754 PolarHBondContact O-N 2.84Å; R752-M754 VanDerWaalsContact C-N 3.32Å; M754-G756 VanDerWaalsContact C-N 3.32Å; M754-G756 PolarHBondContact O-N 3.34Å; M754-H809 HydrophobicContact CE-CB 4.38Å; M754-H809 WeakPolarHBondContact CE-CD2 3.49Å; M754-H809 WeakPolarHBondContact CE-CE1 3.34Å; M754-H809 VanDerWaalsContact CE-CG 3.46Å; M754-H809 WeakPolarHBondContact CE-ND1 3.3Å; M754-H809 VanDerWaalsContact CE-NE2 3.26Å; M754-H809 WeakPolarHBondContact CE-NE2 3.39Å; M754-H809 PolarHBondContact SD-NE2 2.83Å
755	V	64.3	Low	69.9	Low	93 Å²	93	85.3 Å²	85.3	56%	0.564	42%	0.423	S	S	*	.	H	α-helix	trans	-76.1	-22.8	-176.8	177.2	0	0	0	0	112.3	F751	F751-V755 HydrophobicContact CD1-CG2 4.09Å; F751-V755 HydrophobicContact CD2-CG2 4.2Å; F751-V755 HydrophobicContact CE1-CG2 3.69Å; F751-V755 HydrophobicContact CE2-CG2 3.82Å; F751-V755 HydrophobicContact CG-CG2 4.34Å; F751-V755 HydrophobicContact CZ-CG2 3.55Å; F751-V755 WeakPolarHBondContact O-CB 3.38Å; F751-V755 WeakPolarHBondContact O-CG2 3.38Å; F751-V755 PolarHBondContact O-N 3.33Å
756	G	64.5	Low	68.4	Low	6 Å²	6	89.5 Å²	89.5	6%	0.062	43%	0.432	C	S	.	.			trans	73.3	177.7	-173.7	0	0	0	0	0	113.2	R752 M754 G758	R752-G756 WeakPolarHBondContact O-CA 3.44Å; R752-G756 PolarHBondContact O-N 3.47Å; M754-G756 VanDerWaalsContact C-N 3.32Å; M754-G756 PolarHBondContact O-N 3.34Å; G756-G758 PolarHBondContact O-N 3.37Å
757	P	66	Low	67.2	Low	23 Å²	23	87.9 Å²	87.9	15%	0.149	43%	0.429	C	S	.	.	S	Bend	trans	-61.3	133.7	-176.7	23.3	-32.2	0	0	0	111	E761 K762 A767	P757-E761 HydrophobicContact CB-CB 3.79Å; P757-K762 HydrophobicContact CB-CG 4.1Å; P757-K762 HydrophobicContact CG-CG 3.94Å; P757-K762 WeakPolarHBondContact O-CE 3.22Å; P757-A767 HydrophobicContact CB-CB 3.99Å; P757-A767 HydrophobicContact CG-CB 3.88Å
758	G	64.4	Low	66.1	Low	35 Å²	35	91.7 Å²	91.7	36%	0.361	45%	0.454	S	S	.	.			trans	-63.8	168.5	174.7	0	0	0	0	0	112.6	G756 S760 E761 K762	G756-G758 PolarHBondContact O-N 3.37Å; G758-S760 VanDerWaalsContact C-N 3.26Å; G758-S760 PolarHBondContact O-N 2.89Å; G758-E761 PolarHBondContact O-N 3.49Å; G758-K762 WeakPolarHBondContact O-CG 3.38Å; G758-K762 PolarHBondContact O-N 3.32Å
759	W	56.8	Low	64.9	Low	207 Å²	207	90.3 Å²	90.3	78%	0.784	46%	0.457	S	S	*	.	H	α-helix	trans	-55.4	-40.5	-179.9	177.3	79.2	0	0	0	112.8	E761 W763	W759-E761 VanDerWaalsContact C-N 3.34Å; W759-E761 PolarHBondContact O-N 3.32Å; W759-W763 VanDerWaalsContact O-CB 3.32Å; W759-W763 WeakPolarHBondContact O-CB 3.48Å; W759-W763 PolarHBondContact O-N 2.93Å
760	S	65.5	Low	63.7	Low	66 Å²	66	92.9 Å²	92.9	46%	0.462	47%	0.467	S	S	.	.	H	α-helix	trans	-62.5	-38.1	174.7	50.8	0	0	0	0	112.8	G758 W763 L764	G758-S760 VanDerWaalsContact C-N 3.26Å; G758-S760 PolarHBondContact O-N 2.89Å; S760-W763 PolarHBondContact O-N 3.48Å; S760-L764 VanDerWaalsContact O-CB 3.22Å; S760-L764 WeakPolarHBondContact O-CB 3.39Å; S760-L764 VanDerWaalsContact O-CG 3.3Å; S760-L764 WeakPolarHBondContact O-CG 3.44Å; S760-L764 PolarHBondContact O-N 3.28Å
761	E	64.3	Low	62.6	Low	51 Å²	51	99.2 Å²	99.2	24%	0.238	49%	0.493	C	S	.	.	H	α-helix	trans	-77.3	-39	179.9	-66.7	178.9	-175.7	0	0	112.3	R752 P757 G758 W759 W763 L765	R752-E761 IonicContact CZ-OE1 3.77Å; R752-E761 IonicContact CZ-OE2 3.16Å; R752-E761 IonicContact NE-OE1 3.61Å; R752-E761 IonicContact NE-OE2 3.67Å; R752-E761 PolarHBondContact NE-OE2 3.36Å; R752-E761 IonicContact NH2-OE1 2.75Å; R752-E761 PolarHBondContact NH2-OE1 3.46Å; R752-E761 IonicContact NH2-OE2 3.98Å; R752-E761 PolarHBondContact NH2-OE2 2.85Å; P757-E761 HydrophobicContact CB-CB 3.79Å; G758-E761 PolarHBondContact O-N 3.49Å; W759-E761 VanDerWaalsContact C-N 3.34Å; W759-E761 PolarHBondContact O-N 3.32Å; E761-W763 PolarHBondContact O-N 3.47Å; E761-L765 HydrophobicContact CB-CD1 4.49Å; E761-L765 HydrophobicContact CG-CD1 4.5Å; E761-L765 WeakPolarHBondContact O-CA 3.43Å; E761-L765 WeakPolarHBondContact O-CB 3.35Å; E761-L765 PolarHBondContact O-N 3.38Å
762	K	66.3	Low	61.6	Low	108 Å²	108	101.8 Å²	101.8	47%	0.47	52%	0.516	S	S	.	.	H	α-helix	trans	-57.1	-37.2	169.4	-68.4	-175.2	-178.7	179.5	0	110.9	P757 G758 A767	P757-K762 HydrophobicContact CB-CG 4.1Å; P757-K762 HydrophobicContact CG-CG 3.94Å; P757-K762 WeakPolarHBondContact O-CE 3.22Å; G758-K762 WeakPolarHBondContact O-CG 3.38Å; G758-K762 PolarHBondContact O-N 3.32Å; K762-A767 WeakPolarHBondContact CG-O 3.19Å
763	W	61.1	Low	60.7	Low	126 Å²	126	98.2 Å²	98.2	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-84.9	-36.6	-176.8	-145	86.4	0	0	0	113.9	R43 W759 S760 E761	R43-W763 HydrophobicContact CG-CH2 4.44Å; W759-W763 VanDerWaalsContact O-CB 3.32Å; W759-W763 WeakPolarHBondContact O-CB 3.48Å; W759-W763 PolarHBondContact O-N 2.93Å; S760-W763 PolarHBondContact O-N 3.48Å; E761-W763 PolarHBondContact O-N 3.47Å
764	L	69.9	Low	59.4	Low	120 Å²	120	99.7 Å²	99.7	63%	0.628	52%	0.517	S	S	*	.	H	α-helix	trans	-86.4	-41	-178.8	-73.4	167.7	0	0	0	113.4	S760	S760-L764 VanDerWaalsContact O-CB 3.22Å; S760-L764 WeakPolarHBondContact O-CB 3.39Å; S760-L764 VanDerWaalsContact O-CG 3.3Å; S760-L764 WeakPolarHBondContact O-CG 3.44Å; S760-L764 PolarHBondContact O-N 3.28Å
765	L	62.7	Low	58.6	Low	124 Å²	124	107.1 Å²	107.1	65%	0.649	54%	0.54	S	S	*	.	S	Bend	trans	-105.3	3.7	-171.6	-68.7	163	0	0	0	113.4	E761 A767	E761-L765 HydrophobicContact CB-CD1 4.49Å; E761-L765 HydrophobicContact CG-CD1 4.5Å; E761-L765 WeakPolarHBondContact O-CA 3.43Å; E761-L765 WeakPolarHBondContact O-CB 3.35Å; E761-L765 PolarHBondContact O-N 3.38Å; L765-A767 PolarHBondContact O-N 2.92Å; L765-A767 VanDerWaalsContact O-N 3.09Å
766	W	53.9	Low	57.6	Low	195 Å²	195	110 Å²	110	74%	0.739	55%	0.545	S	S	*	.			trans	51.1	31.9	-176.1	-67.9	73.9	0	0	0	113.3
767	A	58.8	Low	56.8	Low	42 Å²	42	113.2 Å²	113.2	35%	0.347	57%	0.565	S	S	.	*			trans	-84.7	133.1	-179.2	0	0	0	0	0	110.9	P757 K762 L765	P757-A767 HydrophobicContact CB-CB 3.99Å; P757-A767 HydrophobicContact CG-CB 3.88Å; K762-A767 WeakPolarHBondContact CG-O 3.19Å; L765-A767 PolarHBondContact O-N 2.92Å; L765-A767 VanDerWaalsContact O-N 3.09Å
768	S	55.2	Low	55.5	Low	102 Å²	102	120.8 Å²	120.8	71%	0.713	60%	0.596	S	S	*	*			trans	-107.6	152	173.7	66.3	0	0	0	0	111.4
769	A	57.4	Low	54.7	Low	55 Å²	55	119.4 Å²	119.4	46%	0.455	58%	0.58	S	S	.	*			trans	-71.3	138.4	176.7	0	0	0	0	0	110.4	Q773	A769-Q773 VanDerWaalsContact CB-OE1 3.28Å
770	K	56.5	Low	54.8	Low	162 Å²	162	115.5 Å²	115.5	70%	0.704	57%	0.571	S	S	*	*			trans	-92.8	142.6	-178.9	-71.3	-177.5	-179.7	177.2	0	110.6	S772 Q773	K770-S772 PolarHBondContact O-N 2.9Å; K770-Q773 WeakPolarHBondContact O-CB 3.44Å; K770-Q773 VanDerWaalsContact O-CG 3.26Å; K770-Q773 WeakPolarHBondContact O-CG 3.32Å; K770-Q773 PolarHBondContact O-N 2.86Å; K770-Q773 VanDerWaalsContact O-N 3.16Å; K770-Q773 PolarHBondContact O-OE1 2.75Å
771	E	51.3	Low	54.3	Low	191 Å²	191	116.8 Å²	116.8	89%	0.893	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-59.5	-19.9	-177.1	-158.6	167.9	-161.9	0	0	114.3	Q773	E771-Q773 PolarHBondContact O-N 3.35Å
772	S	50.6	Low	53.9	Low	97 Å²	97	122.2 Å²	122.2	68%	0.678	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-74.3	-2.2	177.3	59	0	0	0	0	115.1	K770 N774	K770-S772 PolarHBondContact O-N 2.9Å; S772-N774 PolarHBondContact O-N 3.34Å
773	Q	53.2	Low	53.6	Low	63 Å²	63	122.5 Å²	122.5	29%	0.294	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-78.6	15.6	-179	-66	176.5	-53.9	0	0	114	E753 A769 K770 E771	E753-Q773 PolarHBondContact O-NE2 2.82Å; A769-Q773 VanDerWaalsContact CB-OE1 3.28Å; K770-Q773 WeakPolarHBondContact O-CB 3.44Å; K770-Q773 VanDerWaalsContact O-CG 3.26Å; K770-Q773 WeakPolarHBondContact O-CG 3.32Å; K770-Q773 PolarHBondContact O-N 2.86Å; K770-Q773 VanDerWaalsContact O-N 3.16Å; K770-Q773 PolarHBondContact O-OE1 2.75Å; E771-Q773 PolarHBondContact O-N 3.35Å
774	N	42.9	Very low	53.6	Low	146 Å²	146	116.9 Å²	116.9	78%	0.781	59%	0.585	S	S	*	*			trans	-112.9	21.7	-167.3	-100.9	-8.3	0	0	0	116.2	S772	S772-N774 PolarHBondContact O-N 3.34Å
775	R	44.8	Very low	53.2	Low	238 Å²	238	114.1 Å²	114.1	90%	0.898	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-100.3	126.1	-177.8	-70.8	-173.8	173.6	-179.5	-1.3	113
776	K	44.5	Very low	53.3	Low	154 Å²	154	113.9 Å²	113.9	67%	0.67	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-95.2	127.7	-171.9	-63.9	-177	174.4	-171.5	0	114
777	P	46.5	Very low	53.8	Low	73 Å²	73	104.9 Å²	104.9	47%	0.474	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-91.8	159.5	162.7	28.3	-20.4	0	0	0	113.3
778	F	39.8	Very low	54	Low	181 Å²	181	103.6 Å²	103.6	79%	0.794	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-91.7	133.3	-168.9	-178.8	-93.7	0	0	0	112.5
779	L	47.4	Very low	54.6	Low	7 Å²	7	107.5 Å²	107.5	4%	0.037	53%	0.533	C	S	.	.			trans	-134.4	138.8	178.8	-138.9	147.7	0	0	0	109.2	E783 V784 R804 W807 H808	L779-E783 HydrophobicContact CD2-CB 4.09Å; L779-V784 HydrophobicContact CD2-CG2 3.97Å; L779-R804 HydrophobicContact CB-CG 3.45Å; L779-R804 VanDerWaalsContact CB-CG 3.45Å; L779-R804 HydrophobicContact CD1-CG 4.32Å; L779-R804 WeakPolarHBondContact CD1-O 3.43Å; L779-R804 HydrophobicContact CG-CG 4.43Å; L779-W807 HydrophobicContact CD1-CB 4.3Å; L779-H808 WeakPolarHBondContact CD1-CD2 3.28Å; L779-H808 WeakPolarHBondContact CD1-NE2 3.4Å; L779-H808 WeakPolarHBondContact CG-NE2 3.08Å
780	E	58.1	Low	55.2	Low	125 Å²	125	107.1 Å²	107.1	58%	0.584	52%	0.523	S	S	*	.			trans	-68.2	146.8	-176.5	-72.2	-146.7	164.3	0	0	113.2	E782	E780-E782 VanDerWaalsContact C-N 3.34Å; E780-E782 PolarHBondContact O-N 3.24Å
781	P	54.5	Low	55.7	Low	93 Å²	93	101.7 Å²	101.7	60%	0.604	50%	0.502	S	S	*	.	H	α-helix	trans	-64.6	-29.3	-171.7	-20.6	32.5	0	0	0	115.4	A785	P781-A785 PolarHBondContact O-N 2.99Å
782	E	57	Low	56.6	Low	165 Å²	165	99.1 Å²	99.1	77%	0.771	49%	0.49	S	S	*	.	H	α-helix	trans	-72.3	-38.9	-174.1	-67.6	-167.8	163.3	0	0	112.7	E780 A785 L786	E780-E782 VanDerWaalsContact C-N 3.34Å; E780-E782 PolarHBondContact O-N 3.24Å; E782-A785 PolarHBondContact O-N 3.11Å; E782-L786 PolarHBondContact O-N 3.28Å
783	E	58.9	Low	57.7	Low	113 Å²	113	100.1 Å²	100.1	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-70	-35.7	179.4	-62.8	-170.7	161.9	0	0	112	L779 A785 L786 A787	L779-E783 HydrophobicContact CD2-CB 4.09Å; E783-A785 VanDerWaalsContact C-N 3.32Å; E783-A785 PolarHBondContact O-N 3.3Å; E783-L786 PolarHBondContact O-N 2.69Å; E783-A787 WeakPolarHBondContact O-CB 3.33Å; E783-A787 PolarHBondContact O-N 2.87Å
784	V	61.1	Low	58.1	Low	9 Å²	9	101.9 Å²	101.9	6%	0.055	50%	0.498	C	S	.	.	H	α-helix	trans	-62.7	-40.9	176.2	179.2	0	0	0	0	110.6	L779 A787 C788 P800 R804	L779-V784 HydrophobicContact CD2-CG2 3.97Å; V784-A787 PolarHBondContact O-N 3.37Å; V784-C788 WeakPolarHBondContact O-CB 3.45Å; V784-C788 PolarHBondContact O-N 2.95Å; V784-C788 PolarHBondContact O-SG 3.32Å; V784-P800 HydrophobicContact CG1-CB 4.01Å; V784-R804 HydrophobicContact CG2-CG 3.98Å
785	A	62.3	Low	58.9	Low	62 Å²	62	98.4 Å²	98.4	51%	0.512	50%	0.497	S	S	.	.	H	α-helix	trans	-65.5	-40.5	179	0	0	0	0	0	112.1	P781 E782 E783 R789	P781-A785 PolarHBondContact O-N 2.99Å; E782-A785 PolarHBondContact O-N 3.11Å; E783-A785 VanDerWaalsContact C-N 3.32Å; E783-A785 PolarHBondContact O-N 3.3Å; A785-R789 WeakPolarHBondContact O-CB 3.29Å; A785-R789 PolarHBondContact O-N 3.11Å
786	L	65.7	Low	59.8	Low	119 Å²	119	88.6 Å²	88.6	62%	0.623	47%	0.47	S	S	*	.	H	α-helix	trans	-68.1	-42	178.6	-159.7	114.4	0	0	0	111.8	E782 E783 R789 N790	E782-L786 PolarHBondContact O-N 3.28Å; E783-L786 PolarHBondContact O-N 2.69Å; L786-R789 PolarHBondContact O-N 2.89Å; L786-N790 WeakPolarHBondContact O-CB 3.38Å; L786-N790 VanDerWaalsContact O-CG 3.31Å; L786-N790 PolarHBondContact O-N 3.48Å; L786-N790 PolarHBondContact O-ND2 3.23Å
787	A	62.6	Low	60.4	Low	5 Å²	5	91.6 Å²	91.6	4%	0.041	48%	0.483	C	S	.	.	H	α-helix	trans	-67.3	-41	176.9	0	0	0	0	0	112.2	E783 V784 R789 N790 I791 L803 W807	E783-A787 WeakPolarHBondContact O-CB 3.33Å; E783-A787 PolarHBondContact O-N 2.87Å; V784-A787 PolarHBondContact O-N 3.37Å; A787-R789 VanDerWaalsContact C-N 3.35Å; A787-R789 PolarHBondContact O-N 3.17Å; A787-N790 PolarHBondContact O-N 2.89Å; A787-I791 WeakPolarHBondContact O-CG1 3.4Å; A787-I791 PolarHBondContact O-N 3.42Å; A787-L803 HydrophobicContact CB-CD2 3.57Å; A787-W807 HydrophobicContact CB-CE3 4.38Å; A787-W807 HydrophobicContact CB-CH2 4.4Å; A787-W807 HydrophobicContact CB-CZ3 4.27Å
788	C	63.4	Low	60.9	Low	15 Å²	15	89.8 Å²	89.8	10%	0.101	47%	0.474	C	S	.	.	H	α-helix	trans	-57.8	-47.7	172.3	-70.8	0	0	0	0	110.9	V784 N790 I791 E792 L803	V784-C788 WeakPolarHBondContact O-CB 3.45Å; V784-C788 PolarHBondContact O-N 2.95Å; V784-C788 PolarHBondContact O-SG 3.32Å; C788-N790 VanDerWaalsContact C-N 3.34Å; C788-N790 PolarHBondContact O-N 2.83Å; C788-I791 PolarHBondContact O-N 3Å; C788-I791 VanDerWaalsContact O-N 3.14Å; C788-E792 WeakPolarHBondContact O-CG 3.46Å; C788-E792 PolarHBondContact O-N 3.32Å; C788-L803 HydrophobicContact CB-CD1 4.43Å; C788-L803 VanDerWaalsContact SG-CD1 3.56Å
789	R	67.5	Low	61.8	Low	184 Å²	184	83.3 Å²	83.3	69%	0.694	45%	0.451	S	S	*	.	H	α-helix	trans	-61.8	-41.2	179.5	-153.5	178.4	-160.7	163.1	4.6	112.2	A785 L786 A787 I791 E792 V793	A785-R789 WeakPolarHBondContact O-CB 3.29Å; A785-R789 PolarHBondContact O-N 3.11Å; L786-R789 PolarHBondContact O-N 2.89Å; A787-R789 VanDerWaalsContact C-N 3.35Å; A787-R789 PolarHBondContact O-N 3.17Å; R789-I791 VanDerWaalsContact C-N 3.31Å; R789-I791 PolarHBondContact O-N 3.38Å; R789-E792 PolarHBondContact O-N 2.84Å; R789-V793 WeakPolarHBondContact O-CB 3.3Å; R789-V793 WeakPolarHBondContact O-CG2 3.33Å; R789-V793 PolarHBondContact O-N 3.47Å
790	N	70.5	Confident	62.4	Low	48 Å²	48	86.3 Å²	86.3	26%	0.257	47%	0.471	S	S	.	.	H	α-helix	trans	-66.6	-31.5	176.9	-75	-27.5	0	0	0	113	L13 L786 A787 C788 K794	L13-N790 HydrophobicContact CD2-CB 4.07Å; L786-N790 WeakPolarHBondContact O-CB 3.38Å; L786-N790 VanDerWaalsContact O-CG 3.31Å; L786-N790 PolarHBondContact O-N 3.48Å; L786-N790 PolarHBondContact O-ND2 3.23Å; A787-N790 PolarHBondContact O-N 2.89Å; C788-N790 VanDerWaalsContact C-N 3.34Å; C788-N790 PolarHBondContact O-N 2.83Å; N790-K794 PolarHBondContact O-N 3.17Å
791	I	66.3	Low	62.3	Low	48 Å²	48	86.3 Å²	86.3	25%	0.246	47%	0.471	C	S	.	.	H	α-helix	trans	-77.5	-38.5	176.3	-73.6	163	0	0	0	111.1	A787 C788 R789 K794 G795 G796 A798 L803	A787-I791 WeakPolarHBondContact O-CG1 3.4Å; A787-I791 PolarHBondContact O-N 3.42Å; C788-I791 PolarHBondContact O-N 3Å; C788-I791 VanDerWaalsContact O-N 3.14Å; R789-I791 VanDerWaalsContact C-N 3.31Å; R789-I791 PolarHBondContact O-N 3.38Å; I791-K794 CarbonylContact O-C 3.51Å; I791-K794 PolarHBondContact O-N 3.41Å; I791-K794 VanDerWaalsContact O-N 3.1Å; I791-G795 PolarHBondContact O-N 3.38Å; I791-G796 PolarHBondContact O-N 3.01Å; I791-A798 HydrophobicContact CD1-CB 4.29Å; I791-A798 HydrophobicContact CG2-CB 3.81Å; I791-L803 HydrophobicContact CD1-CD1 3.54Å; I791-L803 HydrophobicContact CD1-CD2 3.8Å; I791-L803 HydrophobicContact CD1-CG 3.92Å
792	E	70.4	Confident	62.4	Low	137 Å²	137	87.7 Å²	87.7	64%	0.64	47%	0.469	S	S	*	.	H	α-helix	trans	-61.3	-43.4	172	-74.9	178.3	170.8	0	0	111.7	C788 R789 K794 G795	C788-E792 WeakPolarHBondContact O-CG 3.46Å; C788-E792 PolarHBondContact O-N 3.32Å; R789-E792 PolarHBondContact O-N 2.84Å; E792-K794 PolarHBondContact O-N 3.4Å; E792-G795 PolarHBondContact O-N 3.13Å; E792-G795 VanDerWaalsContact O-N 3.1Å
793	V	74	Confident	62.5	Low	118 Å²	118	80.6 Å²	80.6	72%	0.715	44%	0.437	S	S	*	.	H	α-helix	trans	-59.6	-27	175	168.4	0	0	0	0	112.1	R789	R789-V793 WeakPolarHBondContact O-CB 3.3Å; R789-V793 WeakPolarHBondContact O-CG2 3.33Å; R789-V793 PolarHBondContact O-N 3.47Å
794	K	61.5	Low	62.4	Low	99 Å²	99	79.2 Å²	79.2	43%	0.43	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	10.3	-179.7	-73.4	172.4	173.7	166.4	0	114.1	L13 P15 N790 I791 E792	L13-K794 PolarHBondContact O-NZ 3.09Å; P15-K794 HydrophobicContact CG-CD 4.1Å; N790-K794 PolarHBondContact O-N 3.17Å; I791-K794 CarbonylContact O-C 3.51Å; I791-K794 PolarHBondContact O-N 3.41Å; I791-K794 VanDerWaalsContact O-N 3.1Å; E792-K794 PolarHBondContact O-N 3.4Å
795	G	60.8	Low	62.2	Low	74 Å²	74	82 Å²	82	76%	0.763	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	13.2	174.7	0	0	0	0	0	115	I791 E792	I791-G795 PolarHBondContact O-N 3.38Å; E792-G795 PolarHBondContact O-N 3.13Å; E792-G795 VanDerWaalsContact O-N 3.1Å
796	G	63.4	Low	62.2	Low	32 Å²	32	81.5 Å²	81.5	33%	0.33	43%	0.432	S	S	.	.			trans	-94.6	144.4	172.4	0	0	0	0	0	111.9	I791	I791-G796 PolarHBondContact O-N 3.01Å
797	K	56.5	Low	62.2	Low	217 Å²	217	80.4 Å²	80.4	94%	0.943	42%	0.42	S	S	*	.			trans	-101.1	111.8	162.7	-68.3	-176.9	179.4	-177.5	0	107.2
798	A	57.1	Low	62.4	Low	35 Å²	35	83.4 Å²	83.4	29%	0.289	43%	0.432	S	S	.	.			trans	-119.3	130.6	173	0	0	0	0	0	108.5	I791 L803	I791-A798 HydrophobicContact CD1-CB 4.29Å; I791-A798 HydrophobicContact CG2-CB 3.81Å; A798-L803 HydrophobicContact CB-CD1 3.47Å; A798-L803 VanDerWaalsContact CB-CD1 3.47Å; A798-L803 HydrophobicContact CB-CG 4.27Å
799	S	59.2	Low	62.6	Low	44 Å²	44	85.4 Å²	85.4	31%	0.308	44%	0.44	S	S	.	.			trans	-71.6	143.1	175.8	66.5	0	0	0	0	110.1	E801 E802 L803	S799-E801 PolarHBondContact O-N 3.49Å; S799-E802 WeakPolarHBondContact CB-OE2 3.26Å; S799-E802 PolarHBondContact N-OE2 2.85Å; S799-E802 PolarHBondContact O-N 2.81Å; S799-E802 VanDerWaalsContact OG-CB 3.3Å; S799-E802 WeakPolarHBondContact OG-CB 3.36Å; S799-E802 WeakPolarHBondContact OG-CG 3.44Å; S799-E802 PolarHBondContact OG-N 2.83Å; S799-E802 PolarHBondContact OG-OE2 3.33Å; S799-L803 PolarHBondContact O-N 2.78Å; S799-L803 VanDerWaalsContact O-N 3.13Å
800	P	59.6	Low	62.7	Low	70 Å²	70	79.6 Å²	79.6	46%	0.455	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-14	178.3	-21.8	31.3	0	0	0	114.2	V784 R804	V784-P800 HydrophobicContact CG1-CB 4.01Å; P800-R804 PolarHBondContact O-NE 3.21Å
801	E	57.3	Low	62.9	Low	126 Å²	126	80.8 Å²	80.8	59%	0.589	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-49.2	175.8	-61.7	-173.9	-172.1	0	0	110.6	S799 L803 R804 D805	S799-E801 PolarHBondContact O-N 3.49Å; E801-L803 VanDerWaalsContact C-N 3.31Å; E801-L803 PolarHBondContact O-N 3.37Å; E801-R804 VanDerWaalsContact O-CB 3.3Å; E801-R804 WeakPolarHBondContact O-CB 3.47Å; E801-R804 PolarHBondContact O-N 3.17Å; E801-R804 VanDerWaalsContact O-N 3.12Å; E801-D805 PolarHBondContact O-N 2.64Å
802	E	55.3	Low	63.3	Low	121 Å²	121	81.1 Å²	81.1	57%	0.565	42%	0.424	S	S	*	.	H	α-helix	trans	-63.6	-34.5	177.9	-71.6	162.7	158.3	0	0	112.9	S799 R804 D805 V806	S799-E802 WeakPolarHBondContact CB-OE2 3.26Å; S799-E802 PolarHBondContact N-OE2 2.85Å; S799-E802 PolarHBondContact O-N 2.81Å; S799-E802 VanDerWaalsContact OG-CB 3.3Å; S799-E802 WeakPolarHBondContact OG-CB 3.36Å; S799-E802 WeakPolarHBondContact OG-CG 3.44Å; S799-E802 PolarHBondContact OG-N 2.83Å; S799-E802 PolarHBondContact OG-OE2 3.33Å; E802-R804 VanDerWaalsContact C-N 3.3Å; E802-R804 PolarHBondContact O-N 3.13Å; E802-D805 PolarHBondContact O-N 3Å; E802-V806 WeakPolarHBondContact O-CG2 3.32Å; E802-V806 PolarHBondContact O-N 2.83Å
803	L	58.9	Low	63.7	Low	16 Å²	16	78.8 Å²	78.8	8%	0.084	41%	0.41	C	S	.	.	H	α-helix	trans	-65.9	-36.5	176	-114.5	146.5	0	0	0	112.1	A787 C788 I791 A798 S799 E801 D805 W807	A787-L803 HydrophobicContact CB-CD2 3.57Å; C788-L803 HydrophobicContact CB-CD1 4.43Å; C788-L803 VanDerWaalsContact SG-CD1 3.56Å; I791-L803 HydrophobicContact CD1-CD1 3.54Å; I791-L803 HydrophobicContact CD1-CD2 3.8Å; I791-L803 HydrophobicContact CD1-CG 3.92Å; A798-L803 HydrophobicContact CB-CD1 3.47Å; A798-L803 VanDerWaalsContact CB-CD1 3.47Å; A798-L803 HydrophobicContact CB-CG 4.27Å; S799-L803 PolarHBondContact O-N 2.78Å; S799-L803 VanDerWaalsContact O-N 3.13Å; E801-L803 VanDerWaalsContact C-N 3.31Å; E801-L803 PolarHBondContact O-N 3.37Å; L803-D805 VanDerWaalsContact C-N 3.27Å; L803-D805 PolarHBondContact O-N 2.92Å; L803-W807 HydrophobicContact CD2-CE3 3.91Å; L803-W807 HydrophobicContact CD2-CZ3 4.5Å; L803-W807 WeakPolarHBondContact O-CB 3.4Å; L803-W807 PolarHBondContact O-N 2.77Å; L803-W807 VanDerWaalsContact O-N 3.13Å
804	R	57	Low	63.9	Low	85 Å²	85	78.2 Å²	78.2	32%	0.321	40%	0.403	S	S	.	.	H	α-helix	trans	-65.2	-36.1	179.9	-139.8	178.4	-62.2	-136.9	7.9	111.5	L779 V784 P800 E801 E802	L779-R804 HydrophobicContact CB-CG 3.45Å; L779-R804 VanDerWaalsContact CB-CG 3.45Å; L779-R804 HydrophobicContact CD1-CG 4.32Å; L779-R804 WeakPolarHBondContact CD1-O 3.43Å; L779-R804 HydrophobicContact CG-CG 4.43Å; V784-R804 HydrophobicContact CG2-CG 3.98Å; P800-R804 PolarHBondContact O-NE 3.21Å; E801-R804 VanDerWaalsContact O-CB 3.3Å; E801-R804 WeakPolarHBondContact O-CB 3.47Å; E801-R804 PolarHBondContact O-N 3.17Å; E801-R804 VanDerWaalsContact O-N 3.12Å; E802-R804 VanDerWaalsContact C-N 3.3Å; E802-R804 PolarHBondContact O-N 3.13Å
805	D	57.6	Low	64.9	Low	66 Å²	66	75.1 Å²	75.1	35%	0.353	39%	0.389	S	S	.	.	H	α-helix	trans	-76.1	-29.4	-174.5	-65.2	-19.2	0	0	0	113.2	E801 E802 L803	E801-D805 PolarHBondContact O-N 2.64Å; E802-D805 PolarHBondContact O-N 3Å; L803-D805 VanDerWaalsContact C-N 3.27Å; L803-D805 PolarHBondContact O-N 2.92Å
806	V	61.6	Low	66	Low	53 Å²	53	71.7 Å²	71.7	32%	0.321	35%	0.354	S	S	.	.	H	α-helix	trans	-113.4	-19.7	-169	-162.4	0	0	0	0	112.9	F751 E802 H808 H809 L810	F751-V806 HydrophobicContact CE2-CG1 3.9Å; F751-V806 HydrophobicContact CZ-CG1 4.45Å; E802-V806 WeakPolarHBondContact O-CG2 3.32Å; E802-V806 PolarHBondContact O-N 2.83Å; V806-H808 PolarHBondContact O-N 3.03Å; V806-H809 PolarHBondContact O-N 3.39Å; V806-L810 HydrophobicContact CB-CD1 4.2Å; V806-L810 HydrophobicContact CG1-CD1 3.46Å; V806-L810 VanDerWaalsContact CG1-CD1 3.46Å; V806-L810 HydrophobicContact CG1-CG 3.7Å; V806-L810 WeakPolarHBondContact O-CG 3.49Å; V806-L810 PolarHBondContact O-N 3.4Å
807	W	66	Low	67	Low	96 Å²	96	73.9 Å²	73.9	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-59.8	-49.5	-170.2	-176.6	-104.7	0	0	0	114.1	L779 A787 L803 H809 L810 Y811	L779-W807 HydrophobicContact CD1-CB 4.3Å; A787-W807 HydrophobicContact CB-CE3 4.38Å; A787-W807 HydrophobicContact CB-CH2 4.4Å; A787-W807 HydrophobicContact CB-CZ3 4.27Å; L803-W807 HydrophobicContact CD2-CE3 3.91Å; L803-W807 HydrophobicContact CD2-CZ3 4.5Å; L803-W807 WeakPolarHBondContact O-CB 3.4Å; L803-W807 PolarHBondContact O-N 2.77Å; L803-W807 VanDerWaalsContact O-N 3.13Å; W807-H809 VanDerWaalsContact C-N 3.32Å; W807-H809 PolarHBondContact O-N 3.38Å; W807-L810 PolarHBondContact O-N 3.06Å; W807-Y811 VanDerWaalsContact O-CB 3.22Å; W807-Y811 WeakPolarHBondContact O-CB 3.49Å; W807-Y811 PolarHBondContact O-N 3.48Å
808	H	66	Low	68.2	Low	67 Å²	67	67.1 Å²	67.1	31%	0.31	33%	0.332	S	S	.	.	H	α-helix	trans	-58.4	-43.4	-178.2	-71.9	-55.8	0	0	0	112.6	L779 V806 Y811 H812	L779-H808 WeakPolarHBondContact CD1-CD2 3.28Å; L779-H808 WeakPolarHBondContact CD1-NE2 3.4Å; L779-H808 WeakPolarHBondContact CG-NE2 3.08Å; V806-H808 PolarHBondContact O-N 3.03Å; H808-Y811 PolarHBondContact O-N 3.29Å; H808-H812 WeakPolarHBondContact O-CB 3.4Å; H808-H812 VanDerWaalsContact O-CG 3.27Å; H808-H812 PolarHBondContact O-N 2.87Å
809	H	68.1	Low	69.4	Low	57 Å²	57	65.7 Å²	65.7	26%	0.264	32%	0.32	S	S	.	.	H	α-helix	trans	-71.5	-38.7	-179.7	-65.1	-67.9	0	0	0	112.2	F751 M754 V806 W807 R813	F751-H809 HydrophobicContact CD2-CB 3.93Å; M754-H809 HydrophobicContact CE-CB 4.38Å; M754-H809 WeakPolarHBondContact CE-CD2 3.49Å; M754-H809 WeakPolarHBondContact CE-CE1 3.34Å; M754-H809 VanDerWaalsContact CE-CG 3.46Å; M754-H809 WeakPolarHBondContact CE-ND1 3.3Å; M754-H809 VanDerWaalsContact CE-NE2 3.26Å; M754-H809 WeakPolarHBondContact CE-NE2 3.39Å; M754-H809 PolarHBondContact SD-NE2 2.83Å; V806-H809 PolarHBondContact O-N 3.39Å; W807-H809 VanDerWaalsContact C-N 3.32Å; W807-H809 PolarHBondContact O-N 3.38Å; H809-R813 VanDerWaalsContact O-CB 3.23Å; H809-R813 WeakPolarHBondContact O-CB 3.2Å; H809-R813 PolarHBondContact O-N 3.5Å
810	L	70.8	Confident	70.6	Confident	62 Å²	62	64.2 Å²	64.2	33%	0.325	31%	0.309	S	S	.	.	H	α-helix	trans	-67.1	-40.4	174.1	-73.9	173	0	0	0	112.1	F751 V806 W807 R813 N814	F751-L810 HydrophobicContact CE2-CD2 4.27Å; F751-L810 HydrophobicContact CZ-CD2 4.24Å; V806-L810 HydrophobicContact CB-CD1 4.2Å; V806-L810 HydrophobicContact CG1-CD1 3.46Å; V806-L810 VanDerWaalsContact CG1-CD1 3.46Å; V806-L810 HydrophobicContact CG1-CG 3.7Å; V806-L810 WeakPolarHBondContact O-CG 3.49Å; V806-L810 PolarHBondContact O-N 3.4Å; W807-L810 PolarHBondContact O-N 3.06Å; L810-R813 PolarHBondContact O-N 3.21Å; L810-N814 VanDerWaalsContact O-CB 3.27Å; L810-N814 WeakPolarHBondContact O-CB 3.35Å; L810-N814 PolarHBondContact O-N 2.83Å
811	Y	72.7	Confident	71.8	Confident	73 Å²	73	63.5 Å²	63.5	29%	0.286	31%	0.305	S	S	.	.	H	α-helix	trans	-61.4	-53	176.1	176.7	-102.3	0	0	0	110.4	W807 H808 R813 N814 F815	W807-Y811 VanDerWaalsContact O-CB 3.22Å; W807-Y811 WeakPolarHBondContact O-CB 3.49Å; W807-Y811 PolarHBondContact O-N 3.48Å; H808-Y811 PolarHBondContact O-N 3.29Å; Y811-R813 PolarHBondContact O-N 3.17Å; Y811-N814 PolarHBondContact O-N 2.87Å; Y811-F815 WeakPolarHBondContact O-CB 3.38Å; Y811-F815 PolarHBondContact O-N 3.42Å
812	H	75.4	Confident	72.8	Confident	55 Å²	55	57.7 Å²	57.7	26%	0.255	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-44.5	176.9	-71.1	176.9	0	0	0	112.1	H808 F815 L816	H808-H812 WeakPolarHBondContact O-CB 3.4Å; H808-H812 VanDerWaalsContact O-CG 3.27Å; H808-H812 PolarHBondContact O-N 2.87Å; H812-F815 PolarHBondContact O-N 3.34Å; H812-L816 WeakPolarHBondContact O-CB 3.32Å; H812-L816 VanDerWaalsContact O-CG 3.25Å; H812-L816 WeakPolarHBondContact O-CG 3.34Å; H812-L816 PolarHBondContact O-N 2.95Å
813	R	78.6	Confident	74.1	Confident	89 Å²	89	52 Å²	52	34%	0.336	25%	0.252	S	S	.	.	H	α-helix	trans	-61.1	-48.8	178	-171.2	-173.8	72.1	167.1	2.9	111.7	L744 H809 L810 Y811 F815 L816 H817	L744-R813 HydrophobicContact CD1-CG 4.04Å; H809-R813 VanDerWaalsContact O-CB 3.23Å; H809-R813 WeakPolarHBondContact O-CB 3.2Å; H809-R813 PolarHBondContact O-N 3.5Å; L810-R813 PolarHBondContact O-N 3.21Å; Y811-R813 PolarHBondContact O-N 3.17Å; R813-F815 VanDerWaalsContact C-N 3.31Å; R813-F815 PolarHBondContact O-N 3Å; R813-L816 PolarHBondContact O-N 3.09Å; R813-H817 PolarHBondContact O-CD2 2.89Å; R813-H817 PolarHBondContact O-N 3.06Å
814	N	79.2	Confident	75.2	Confident	106 Å²	106	57.6 Å²	57.6	57%	0.567	27%	0.272	S	S	*	.	H	α-helix	trans	-65.8	-38.3	-179.9	-170.2	62.5	0	0	0	111.7	L810 Y811 H817 T818	L810-N814 VanDerWaalsContact O-CB 3.27Å; L810-N814 WeakPolarHBondContact O-CB 3.35Å; L810-N814 PolarHBondContact O-N 2.83Å; Y811-N814 PolarHBondContact O-N 2.87Å; N814-H817 PolarHBondContact O-N 2.94Å; N814-T818 WeakPolarHBondContact O-CB 3.36Å; N814-T818 PolarHBondContact O-N 3.42Å; N814-T818 PolarHBondContact O-OG1 2.86Å
815	F	82.9	Confident	76.4	Confident	33 Å²	33	59.1 Å²	59.1	15%	0.145	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-46.3	175.3	179.5	-92.2	0	0	0	111.6	Y624 F625 A628 Y811 H812 R813 H817 T818 A819	Y624-F815 AromaticContact CD1-CE1 3.63Å; Y624-F815 HydrophobicContact CD1-CE1 3.63Å; Y624-F815 HydrophobicContact CD1-CZ 4.09Å; Y624-F815 AromaticContact CE1-CE1 3.32Å; Y624-F815 HydrophobicContact CE1-CE1 3.32Å; Y624-F815 AromaticContact CE1-CZ 3.61Å; Y624-F815 HydrophobicContact CE1-CZ 3.61Å; F625-F815 AromaticContact CD1-CD1 3.52Å; F625-F815 HydrophobicContact CD1-CD1 3.52Å; F625-F815 AromaticContact CD1-CE1 3.55Å; F625-F815 HydrophobicContact CD1-CE1 3.55Å; F625-F815 HydrophobicContact CD1-CG 4.45Å; F625-F815 AromaticContact CE1-CD1 3.54Å; F625-F815 HydrophobicContact CE1-CD1 3.54Å; F625-F815 AromaticContact CE1-CE1 3.82Å; F625-F815 HydrophobicContact CE1-CE1 3.82Å; A628-F815 HydrophobicContact CB-CD2 4.49Å; A628-F815 HydrophobicContact CB-CE1 4.31Å; A628-F815 HydrophobicContact CB-CE2 3.29Å; A628-F815 HydrophobicContact CB-CZ 3.16Å; Y811-F815 WeakPolarHBondContact O-CB 3.38Å; Y811-F815 PolarHBondContact O-N 3.42Å; H812-F815 PolarHBondContact O-N 3.34Å; R813-F815 VanDerWaalsContact C-N 3.31Å; R813-F815 PolarHBondContact O-N 3Å; F815-H817 PolarHBondContact O-N 2.92Å; F815-T818 PolarHBondContact O-N 3.13Å; F815-A819 WeakPolarHBondContact O-CB 3.2Å; F815-A819 PolarHBondContact O-N 2.84Å
816	L	83.3	Confident	77.5	Confident	3 Å²	3	56 Å²	56	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-39.1	176.2	-71	170.6	0	0	0	112.2	F620 F625 V740 Q743 L744 A747 H812 R813 T818 A819 L820	F620-L816 HydrophobicContact CD1-CD2 4.35Å; F620-L816 HydrophobicContact CE1-CD2 4.3Å; F625-L816 HydrophobicContact CE1-CD2 4.02Å; F625-L816 HydrophobicContact CE1-CG 4.23Å; F625-L816 HydrophobicContact CZ-CD2 4.19Å; F625-L816 HydrophobicContact CZ-CG 4.37Å; V740-L816 HydrophobicContact CG1-CB 4.34Å; V740-L816 HydrophobicContact CG1-CD2 4.06Å; V740-L816 VanDerWaalsContact CG1-O 3.32Å; V740-L816 WeakPolarHBondContact CG1-O 3.29Å; Q743-L816 HydrophobicContact CB-CD1 4.25Å; Q743-L816 HydrophobicContact CB-CD2 4.34Å; L744-L816 HydrophobicContact CB-CB 4.47Å; L744-L816 HydrophobicContact CD1-CB 4.03Å; A747-L816 HydrophobicContact CB-CD1 4.15Å; H812-L816 WeakPolarHBondContact O-CB 3.32Å; H812-L816 VanDerWaalsContact O-CG 3.25Å; H812-L816 WeakPolarHBondContact O-CG 3.34Å; H812-L816 PolarHBondContact O-N 2.95Å; R813-L816 PolarHBondContact O-N 3.09Å; L816-T818 VanDerWaalsContact C-N 3.33Å; L816-T818 PolarHBondContact O-N 2.63Å; L816-A819 PolarHBondContact O-N 2.82Å; L816-L820 WeakPolarHBondContact O-CB 3.26Å; L816-L820 PolarHBondContact O-N 2.8Å
817	H	84.2	Confident	78.4	Confident	77 Å²	77	58.5 Å²	58.5	36%	0.356	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-42	171.9	-80.8	-61.3	0	0	0	112.4	E748 R813 N814 F815 L820 S821	E748-H817 IonicContact OE1-CE1 3.93Å; E748-H817 IonicContact OE1-NE2 3.94Å; R813-H817 PolarHBondContact O-CD2 2.89Å; R813-H817 PolarHBondContact O-N 3.06Å; N814-H817 PolarHBondContact O-N 2.94Å; F815-H817 PolarHBondContact O-N 2.92Å; H817-L820 WeakPolarHBondContact O-CB 3.19Å; H817-L820 PolarHBondContact O-N 2.79Å; H817-S821 PolarHBondContact O-N 2.6Å
818	T	82	Confident	79	Confident	76 Å²	76	59.8 Å²	59.8	47%	0.466	29%	0.287	S	S	.	.	H	α-helix	trans	-65.9	-45.7	177.6	-53.6	0	0	0	0	110.4	N814 F815 L816 L820 S821 S822	N814-T818 WeakPolarHBondContact O-CB 3.36Å; N814-T818 PolarHBondContact O-N 3.42Å; N814-T818 PolarHBondContact O-OG1 2.86Å; F815-T818 PolarHBondContact O-N 3.13Å; L816-T818 VanDerWaalsContact C-N 3.33Å; L816-T818 PolarHBondContact O-N 2.63Å; T818-L820 VanDerWaalsContact C-N 3.27Å; T818-L820 PolarHBondContact O-N 2.79Å; T818-S821 PolarHBondContact O-N 3.11Å; T818-S821 VanDerWaalsContact O-N 3.16Å; T818-S822 WeakPolarHBondContact O-CB 2.96Å; T818-S822 PolarHBondContact O-N 2.91Å
819	A	82.3	Confident	79.6	Confident	4 Å²	4	59 Å²	59	3%	0.033	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-37.7	174.8	0	0	0	0	0	111.8	Y624 M736 V740 F815 L816 S822 A823	Y624-A819 HydrophobicContact CE1-CB 4.19Å; M736-A819 HydrophobicContact CE-CB 4.4Å; V740-A819 HydrophobicContact CG1-CB 4.24Å; V740-A819 HydrophobicContact CG2-CB 4.47Å; F815-A819 WeakPolarHBondContact O-CB 3.2Å; F815-A819 PolarHBondContact O-N 2.84Å; L816-A819 PolarHBondContact O-N 2.82Å; A819-S822 VanDerWaalsContact C-OG 3.32Å; A819-S822 WeakPolarHBondContact CA-OG 3.23Å; A819-S822 PolarHBondContact O-N 3.03Å; A819-S822 PolarHBondContact O-OG 3.38Å; A819-A823 WeakPolarHBondContact O-CB 3.46Å; A819-A823 PolarHBondContact O-N 2.83Å
820	L	84.8	Confident	80.1	Confident	14 Å²	14	57.4 Å²	57.4	7%	0.073	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-41.4	176	-171.3	71.8	0	0	0	112.4	E737 V740 K741 L744 L816 H817 T818 R824	E737-L820 HydrophobicContact CG-CD1 3.84Å; V740-L820 HydrophobicContact CG1-CB 4.03Å; V740-L820 HydrophobicContact CG1-CD1 4.28Å; K741-L820 HydrophobicContact CD-CD1 4.37Å; K741-L820 HydrophobicContact CG-CD1 3.57Å; K741-L820 HydrophobicContact CG-CD2 4.38Å; L744-L820 HydrophobicContact CD2-CD2 4.44Å; L816-L820 WeakPolarHBondContact O-CB 3.26Å; L816-L820 PolarHBondContact O-N 2.8Å; H817-L820 WeakPolarHBondContact O-CB 3.19Å; H817-L820 PolarHBondContact O-N 2.79Å; T818-L820 VanDerWaalsContact C-N 3.27Å; T818-L820 PolarHBondContact O-N 2.79Å; L820-R824 WeakPolarHBondContact O-CG 3.46Å; L820-R824 PolarHBondContact O-N 2.8Å
821	S	83.4	Confident	80.3	Confident	54 Å²	54	58.5 Å²	58.5	38%	0.378	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-46.9	173.1	-160	0	0	0	0	110.4	H817 T818 A823 R824 E825	H817-S821 PolarHBondContact O-N 2.6Å; T818-S821 PolarHBondContact O-N 3.11Å; T818-S821 VanDerWaalsContact O-N 3.16Å; S821-A823 VanDerWaalsContact C-N 3.32Å; S821-A823 PolarHBondContact O-N 2.86Å; S821-R824 PolarHBondContact O-N 2.83Å; S821-R824 VanDerWaalsContact O-N 3.13Å; S821-E825 WeakPolarHBondContact O-CG 3.29Å; S821-E825 PolarHBondContact O-N 3.33Å; S821-E825 PolarHBondContact OG-OE1 3.03Å
822	S	79.7	Confident	80.3	Confident	5 Å²	5	59.8 Å²	59.8	4%	0.035	29%	0.294	C	S	.	.	H	α-helix	trans	-58.2	-42.4	179.5	80.8	0	0	0	0	112.1	T818 A819 R824 E825 C826	T818-S822 WeakPolarHBondContact O-CB 2.96Å; T818-S822 PolarHBondContact O-N 2.91Å; A819-S822 VanDerWaalsContact C-OG 3.32Å; A819-S822 WeakPolarHBondContact CA-OG 3.23Å; A819-S822 PolarHBondContact O-N 3.03Å; A819-S822 PolarHBondContact O-OG 3.38Å; S822-R824 VanDerWaalsContact C-N 3.34Å; S822-R824 PolarHBondContact O-N 3.03Å; S822-E825 PolarHBondContact O-N 3.33Å; S822-C826 WeakPolarHBondContact O-CB 3.48Å; S822-C826 PolarHBondContact O-N 2.77Å; S822-C826 PolarHBondContact O-SG 2.93Å
823	A	81	Confident	80.3	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-38.9	178.5	0	0	0	0	0	112.2	M736 A819 S821 K827	M736-A823 HydrophobicContact CB-CB 4.43Å; M736-A823 HydrophobicContact CE-CB 4.11Å; M736-A823 HydrophobicContact CG-CB 3.93Å; M736-A823 HydrophobicContact SD-CB 3.89Å; A819-A823 WeakPolarHBondContact O-CB 3.46Å; A819-A823 PolarHBondContact O-N 2.83Å; S821-A823 VanDerWaalsContact C-N 3.32Å; S821-A823 PolarHBondContact O-N 2.86Å; A823-K827 PolarHBondContact O-N 3.07Å
824	R	83.3	Confident	80.1	Confident	134 Å²	134	61.2 Å²	61.2	51%	0.506	30%	0.304	S	S	.	.	H	α-helix	trans	-69.6	-39.7	177.8	-71.6	173.8	177.3	166.9	1.3	112	E737 L820 S821 S822 K827	E737-R824 IonicContact OE1-CZ 2.7Å; E737-R824 IonicContact OE1-NE 2.7Å; E737-R824 PolarHBondContact OE1-NE 2.96Å; E737-R824 VanDerWaalsContact OE1-NE 3.16Å; E737-R824 IonicContact OE1-NH2 3.69Å; L820-R824 WeakPolarHBondContact O-CG 3.46Å; L820-R824 PolarHBondContact O-N 2.8Å; S821-R824 PolarHBondContact O-N 2.83Å; S821-R824 VanDerWaalsContact O-N 3.13Å; S822-R824 VanDerWaalsContact C-N 3.34Å; S822-R824 PolarHBondContact O-N 3.03Å; R824-K827 WeakPolarHBondContact O-CB 3.44Å
825	E	81.6	Confident	79.7	Confident	117 Å²	117	60.9 Å²	60.9	55%	0.547	30%	0.302	S	S	.	.	H	α-helix	trans	-67.3	-41.2	176	-70.8	170.3	-143.3	0	0	111.2	S821 S822 K827	S821-E825 WeakPolarHBondContact O-CG 3.29Å; S821-E825 PolarHBondContact O-N 3.33Å; S821-E825 PolarHBondContact OG-OE1 3.03Å; S822-E825 PolarHBondContact O-N 3.33Å; E825-K827 PolarHBondContact O-N 3.48Å
826	C	80.7	Confident	79	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.007	32%	0.322	C	S	.	.	H	α-helix	trans	-67.8	-17.3	-179.8	-68.3	0	0	0	0	114.5	W729 T733 S822 N828 L829 C843 V846	W729-C826 HydrophobicContact CZ2-CB 4.33Å; W729-C826 PolarHBondContact NE1-O 3.32Å; T733-C826 HydrophobicContact CG2-CB 4.34Å; S822-C826 WeakPolarHBondContact O-CB 3.48Å; S822-C826 PolarHBondContact O-N 2.77Å; S822-C826 PolarHBondContact O-SG 2.93Å; C826-N828 PolarHBondContact O-N 3.47Å; C826-N828 VanDerWaalsContact O-N 3.12Å; C826-L829 PolarHBondContact O-N 3.48Å; C826-C843 PolarHBondContact SG-SG 3.38Å; C826-V846 HydrophobicContact CB-CG2 3.6Å
827	K	80.6	Confident	77.9	Confident	105 Å²	105	68.2 Å²	68.2	46%	0.457	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-37.6	-177.7	-170.5	174.7	-179	175.2	0	113.5	A823 R824 E825	A823-K827 PolarHBondContact O-N 3.07Å; R824-K827 WeakPolarHBondContact O-CB 3.44Å; E825-K827 PolarHBondContact O-N 3.48Å
828	N	78.4	Confident	76.8	Confident	123 Å²	123	68.1 Å²	68.1	66%	0.658	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	1.9	-177.3	-64.4	-29.8	0	0	0	113.9	C826 F830	C826-N828 PolarHBondContact O-N 3.47Å; C826-N828 VanDerWaalsContact O-N 3.12Å; N828-F830 PolarHBondContact O-N 3.14Å
829	L	79.3	Confident	75.4	Confident	51 Å²	51	72.9 Å²	72.9	27%	0.267	37%	0.368	S	S	.	.			trans	-92.8	13.9	-170.6	-63.9	178.6	0	0	0	114.6	C826 V831 H832 Y833	C826-L829 PolarHBondContact O-N 3.48Å; L829-V831 VanDerWaalsContact C-N 3.29Å; L829-V831 PolarHBondContact O-N 3.41Å; L829-H832 VanDerWaalsContact CD2-CD2 3.49Å; L829-H832 WeakPolarHBondContact CD2-CD2 3.41Å; L829-H832 WeakPolarHBondContact O-CB 3.4Å; L829-H832 PolarHBondContact O-N 2.88Å; L829-Y833 PolarHBondContact O-N 3.33Å; L829-Y833 VanDerWaalsContact O-N 3.07Å
830	F	79.2	Confident	74	Confident	23 Å²	23	74.6 Å²	74.6	10%	0.101	38%	0.382	C	S	.	.	H	α-helix	trans	-56.7	-39.5	-179.2	-179.1	-106.6	0	0	0	113.4	V723 D725 R726 W729 N828 H832 Y833 Q834	V723-F830 HydrophobicContact CG1-CE2 4.45Å; D725-F830 VanDerWaalsContact C-CZ 3.43Å; R726-F830 HydrophobicContact CB-CD1 3.79Å; R726-F830 HydrophobicContact CB-CE1 3.96Å; R726-F830 HydrophobicContact CB-CG 4.23Å; R726-F830 HydrophobicContact CG-CD1 4.24Å; R726-F830 HydrophobicContact CG-CG 4.41Å; W729-F830 HydrophobicContact CB-CB 4.39Å; W729-F830 HydrophobicContact CB-CD2 3.46Å; W729-F830 VanDerWaalsContact CB-CD2 3.46Å; W729-F830 HydrophobicContact CB-CE2 4.07Å; W729-F830 HydrophobicContact CB-CG 4.2Å; W729-F830 HydrophobicContact CD2-CB 4.43Å; W729-F830 AromaticContact CD2-CD2 3.91Å; W729-F830 HydrophobicContact CD2-CD2 3.91Å; W729-F830 HydrophobicContact CE3-CD2 4.12Å; W729-F830 HydrophobicContact CG-CB 3.98Å; W729-F830 AromaticContact CG-CD2 3.63Å; W729-F830 HydrophobicContact CG-CD2 3.63Å; W729-F830 HydrophobicContact CG-CG 4.23Å; N828-F830 PolarHBondContact O-N 3.14Å; F830-H832 VanDerWaalsContact C-N 3.3Å; F830-H832 PolarHBondContact O-N 2.92Å; F830-Y833 HydrophobicContact CD2-CD1 4.38Å; F830-Y833 HydrophobicContact CE2-CD1 4.32Å; F830-Y833 WeakPolarHBondContact O-CB 3.29Å; F830-Y833 PolarHBondContact O-N 3.12Å; F830-Q834 PolarHBondContact O-N 2.86Å
831	V	73.6	Confident	72.6	Confident	84 Å²	84	76 Å²	76	51%	0.509	40%	0.396	S	S	.	.	H	α-helix	trans	-65.9	-34.2	178.8	-179.2	0	0	0	0	111.5	L829 N835	L829-V831 VanDerWaalsContact C-N 3.29Å; L829-V831 PolarHBondContact O-N 3.41Å; V831-N835 WeakPolarHBondContact O-CB 3.43Å; V831-N835 VanDerWaalsContact O-CG 3.3Å; V831-N835 PolarHBondContact O-N 3.01Å; V831-N835 PolarHBondContact O-ND2 3.29Å
832	H	73.8	Confident	71.7	Confident	100 Å²	100	76.5 Å²	76.5	46%	0.463	39%	0.394	S	S	.	.	H	α-helix	trans	-71.1	-38.6	176.2	-68.2	-76.8	0	0	0	111.9	L829 F830 N835 G836 F837	L829-H832 VanDerWaalsContact CD2-CD2 3.49Å; L829-H832 WeakPolarHBondContact CD2-CD2 3.41Å; L829-H832 WeakPolarHBondContact O-CB 3.4Å; L829-H832 PolarHBondContact O-N 2.88Å; F830-H832 VanDerWaalsContact C-N 3.3Å; F830-H832 PolarHBondContact O-N 2.92Å; H832-N835 PolarHBondContact O-N 3.41Å; H832-G836 PolarHBondContact O-N 3.04Å; H832-F837 PolarHBondContact O-N 2.84Å; H832-F837 VanDerWaalsContact O-N 3.13Å
833	Y	75.4	Confident	71.5	Confident	37 Å²	37	76.7 Å²	76.7	15%	0.145	40%	0.396	C	S	.	.	H	α-helix	trans	-59.5	-47.8	172.1	170.9	-102.1	0	0	0	111.7	R721 V723 W729 L829 F830 N835 G836 L838 V847	R721-Y833 PolarHBondContact O-OH 3.38Å; V723-Y833 HydrophobicContact CB-CE1 3.89Å; V723-Y833 HydrophobicContact CG2-CE1 4.28Å; V723-Y833 PolarHBondContact N-OH 3.37Å; V723-Y833 VanDerWaalsContact N-OH 3.12Å; W729-Y833 HydrophobicContact CE3-CD1 4.21Å; W729-Y833 HydrophobicContact CE3-CG 4.31Å; W729-Y833 HydrophobicContact CH2-CD2 4.15Å; W729-Y833 HydrophobicContact CH2-CG 4.09Å; W729-Y833 AromaticContact CZ3-CD1 3.98Å; W729-Y833 HydrophobicContact CZ3-CD1 3.98Å; W729-Y833 AromaticContact CZ3-CD2 3.81Å; W729-Y833 HydrophobicContact CZ3-CD2 3.81Å; W729-Y833 HydrophobicContact CZ3-CE1 4.36Å; W729-Y833 HydrophobicContact CZ3-CE2 4.21Å; W729-Y833 AromaticContact CZ3-CG 3.68Å; W729-Y833 HydrophobicContact CZ3-CG 3.68Å; L829-Y833 PolarHBondContact O-N 3.33Å; L829-Y833 VanDerWaalsContact O-N 3.07Å; F830-Y833 HydrophobicContact CD2-CD1 4.38Å; F830-Y833 HydrophobicContact CE2-CD1 4.32Å; F830-Y833 WeakPolarHBondContact O-CB 3.29Å; F830-Y833 PolarHBondContact O-N 3.12Å; Y833-N835 VanDerWaalsContact C-N 3.28Å; Y833-N835 PolarHBondContact O-N 2.95Å; Y833-G836 PolarHBondContact O-N 3.08Å; Y833-G836 VanDerWaalsContact O-N 3.14Å; Y833-L838 HydrophobicContact CD2-CD2 4.2Å; Y833-V847 HydrophobicContact CD2-CG2 4.32Å; Y833-V847 HydrophobicContact CE2-CG2 3.61Å
834	Q	74.2	Confident	71.4	Confident	137 Å²	137	77 Å²	77	64%	0.64	40%	0.398	S	S	*	.	H	α-helix	trans	-63.4	-33.8	-179.2	-169.8	177	10.1	0	0	113	F830 G836	F830-Q834 PolarHBondContact O-N 2.86Å; Q834-G836 PolarHBondContact O-N 2.65Å
835	N	70.7	Confident	71.3	Confident	99 Å²	99	71 Å²	71	53%	0.529	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	3.9	179.6	-69.8	-24.3	0	0	0	113.7	V831 H832 Y833 F837	V831-N835 WeakPolarHBondContact O-CB 3.43Å; V831-N835 VanDerWaalsContact O-CG 3.3Å; V831-N835 PolarHBondContact O-N 3.01Å; V831-N835 PolarHBondContact O-ND2 3.29Å; H832-N835 PolarHBondContact O-N 3.41Å; Y833-N835 VanDerWaalsContact C-N 3.28Å; Y833-N835 PolarHBondContact O-N 2.95Å; N835-F837 VanDerWaalsContact C-N 3.27Å; N835-F837 HydrophobicContact CB-CD2 3.56Å; N835-F837 HydrophobicContact CB-CE2 3.86Å; N835-F837 PolarHBondContact O-N 2.72Å
836	G	67.7	Low	71.5	Confident	55 Å²	55	65.4 Å²	65.4	57%	0.567	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	9	178.3	0	0	0	0	0	114.9	H832 Y833 Q834 L838	H832-G836 PolarHBondContact O-N 3.04Å; Y833-G836 PolarHBondContact O-N 3.08Å; Y833-G836 VanDerWaalsContact O-N 3.14Å; Q834-G836 PolarHBondContact O-N 2.65Å; G836-L838 PolarHBondContact O-N 2.89Å
837	F	61.3	Low	71.7	Confident	135 Å²	135	66.4 Å²	66.4	59%	0.592	36%	0.356	S	S	*	.			trans	-81.5	69.1	176.4	-68.8	-80.9	0	0	0	110.4	H832 N835 E839	H832-F837 PolarHBondContact O-N 2.84Å; H832-F837 VanDerWaalsContact O-N 3.13Å; N835-F837 VanDerWaalsContact C-N 3.27Å; N835-F837 HydrophobicContact CB-CD2 3.56Å; N835-F837 HydrophobicContact CB-CE2 3.86Å; N835-F837 PolarHBondContact O-N 2.72Å; F837-E839 PolarHBondContact O-N 2.94Å
838	L	59.3	Low	72	Confident	75 Å²	75	61.8 Å²	61.8	39%	0.393	34%	0.337	S	S	.	.			trans	-85	41.9	176	-79.4	160.3	0	0	0	112.2	I633 Y833 G836 A840 C843	I633-L838 WeakPolarHBondContact CD1-O 3.46Å; Y833-L838 HydrophobicContact CD2-CD2 4.2Å; G836-L838 PolarHBondContact O-N 2.89Å; L838-A840 VanDerWaalsContact C-N 3.27Å; L838-A840 PolarHBondContact O-N 3.15Å; L838-C843 HydrophobicContact CD2-CB 4.18Å
839	E	52.8	Low	72.5	Confident	176 Å²	176	56 Å²	56	82%	0.822	31%	0.306	S	S	*	.			trans	-78.5	-6.6	-178.8	-71.7	-169.8	164.8	0	0	114	F837	F837-E839 PolarHBondContact O-N 2.94Å
840	A	54.2	Low	73	Confident	40 Å²	40	54.1 Å²	54.1	33%	0.331	30%	0.296	S	S	.	.			trans	-105.6	114.1	171.3	0	0	0	0	0	109.9	L838 D842 C843	L838-A840 VanDerWaalsContact C-N 3.27Å; L838-A840 PolarHBondContact O-N 3.15Å; A840-D842 HydrophobicContact CB-CB 4.43Å; A840-D842 PolarHBondContact O-N 3.17Å; A840-C843 PolarHBondContact O-N 3.47Å; A840-C843 VanDerWaalsContact O-N 3.12Å
841	A	55.2	Low	73.5	Confident	43 Å²	43	53.9 Å²	53.9	36%	0.355	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-23.5	173.1	0	0	0	0	0	113	I633 C843 A844	I633-A841 HydrophobicContact CD1-CB 4.33Å; I633-A841 HydrophobicContact CG1-CB 4.08Å; A841-C843 PolarHBondContact O-N 3.35Å; A841-A844 PolarHBondContact O-N 3.24Å
842	D	63.8	Low	74.3	Confident	65 Å²	65	50 Å²	50	35%	0.348	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-32.9	179.6	-64.3	-37.6	0	0	0	114.8	A840 A844	A840-D842 HydrophobicContact CB-CB 4.43Å; A840-D842 PolarHBondContact O-N 3.17Å; D842-A844 VanDerWaalsContact C-N 3.35Å; D842-A844 PolarHBondContact O-N 3.21Å
843	C	74.9	Confident	75.1	Confident	10 Å²	10	46.7 Å²	46.7	7%	0.068	26%	0.255	C	S	.	.	H	α-helix	trans	-75.5	-22.2	-179	-73.1	0	0	0	0	113.3	W729 C826 L838 A840 A841 S845 V846	W729-C843 HydrophobicContact CH2-CB 4.33Å; C826-C843 PolarHBondContact SG-SG 3.38Å; L838-C843 HydrophobicContact CD2-CB 4.18Å; A840-C843 PolarHBondContact O-N 3.47Å; A840-C843 VanDerWaalsContact O-N 3.12Å; A841-C843 PolarHBondContact O-N 3.35Å; C843-S845 VanDerWaalsContact C-N 3.29Å; C843-S845 PolarHBondContact O-N 3.24Å; C843-V846 PolarHBondContact O-N 3.28Å
844	A	79.3	Confident	75.9	Confident	6 Å²	6	49 Å²	49	5%	0.05	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-34.8	178.8	0	0	0	0	0	111.6	I633 F636 A841 D842 V846 V847 V848	I633-A844 HydrophobicContact CG2-CB 4.15Å; F636-A844 HydrophobicContact CD1-CB 3.97Å; F636-A844 HydrophobicContact CE1-CB 3.78Å; A841-A844 PolarHBondContact O-N 3.24Å; D842-A844 VanDerWaalsContact C-N 3.35Å; D842-A844 PolarHBondContact O-N 3.21Å; A844-V846 VanDerWaalsContact C-N 3.3Å; A844-V846 PolarHBondContact O-N 3.12Å; A844-V847 PolarHBondContact O-N 3.09Å; A844-V848 WeakPolarHBondContact O-CG2 3.42Å; A844-V848 PolarHBondContact O-N 2.88Å
845	S	82.1	Confident	76.7	Confident	9 Å²	9	42.5 Å²	42.5	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-38.9	175	-61.4	0	0	0	0	112.1	Y624 C843 V847 V848 F849	Y624-S845 PolarHBondContact OH-OG 2.78Å; C843-S845 VanDerWaalsContact C-N 3.29Å; C843-S845 PolarHBondContact O-N 3.24Å; S845-V847 VanDerWaalsContact C-N 3.32Å; S845-V847 PolarHBondContact O-N 3.17Å; S845-V848 WeakPolarHBondContact O-CB 3.44Å; S845-V848 PolarHBondContact O-N 3.22Å; S845-V848 VanDerWaalsContact O-N 3.14Å; S845-F849 VanDerWaalsContact O-CD2 3.29Å; S845-F849 WeakPolarHBondContact O-CD2 3.49Å; S845-F849 PolarHBondContact O-N 3.32Å
846	V	84.6	Confident	77.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-40.3	178.6	-178.9	0	0	0	0	111.6	W729 A732 T733 M736 C826 C843 A844 V848 F849 W850	W729-V846 HydrophobicContact CD2-CG1 4Å; W729-V846 HydrophobicContact CE3-CG1 3.98Å; W729-V846 HydrophobicContact CH2-CB 3.81Å; W729-V846 HydrophobicContact CH2-CG1 3.79Å; W729-V846 HydrophobicContact CH2-CG2 4.41Å; W729-V846 HydrophobicContact CZ2-CB 4.03Å; W729-V846 HydrophobicContact CZ2-CG1 3.82Å; W729-V846 HydrophobicContact CZ2-CG2 4.22Å; W729-V846 HydrophobicContact CZ3-CB 4.22Å; W729-V846 HydrophobicContact CZ3-CG1 3.87Å; A732-V846 HydrophobicContact CB-CG1 3.98Å; T733-V846 HydrophobicContact CG2-CB 4.44Å; T733-V846 HydrophobicContact CG2-CG1 3.57Å; T733-V846 HydrophobicContact CG2-CG2 3.94Å; M736-V846 HydrophobicContact SD-CG2 4.1Å; C826-V846 HydrophobicContact CB-CG2 3.6Å; C843-V846 PolarHBondContact O-N 3.28Å; A844-V846 VanDerWaalsContact C-N 3.3Å; A844-V846 PolarHBondContact O-N 3.12Å; V846-V848 VanDerWaalsContact C-N 3.3Å; V846-V848 PolarHBondContact O-N 3.27Å; V846-F849 PolarHBondContact O-N 3.43Å; V846-W850 WeakPolarHBondContact O-CB 3.28Å; V846-W850 PolarHBondContact O-N 3.5Å
847	V	85.2	Confident	78.9	Confident	21 Å²	21	36.9 Å²	36.9	13%	0.127	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-38	177	-179	0	0	0	0	111.1	R721 W729 Y833 A844 S845 W850 R851	R721-V847 VanDerWaalsContact O-CG1 3.29Å; R721-V847 WeakPolarHBondContact O-CG1 3.24Å; W729-V847 HydrophobicContact CZ3-CG2 4.23Å; Y833-V847 HydrophobicContact CD2-CG2 4.32Å; Y833-V847 HydrophobicContact CE2-CG2 3.61Å; A844-V847 PolarHBondContact O-N 3.09Å; S845-V847 VanDerWaalsContact C-N 3.32Å; S845-V847 PolarHBondContact O-N 3.17Å; V847-W850 PolarHBondContact O-N 2.85Å; V847-R851 WeakPolarHBondContact O-CG 3.26Å; V847-R851 PolarHBondContact O-N 3.43Å
848	V	86.3	Confident	80.4	Confident	9 Å²	9	31.8 Å²	31.8	6%	0.055	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-49.3	176.4	176.9	0	0	0	0	110.8	F636 I640 A844 S845 V846 W850 R851 I852	F636-V848 HydrophobicContact CE1-CG2 3.94Å; F636-V848 HydrophobicContact CZ-CG2 4.2Å; I640-V848 HydrophobicContact CD1-CB 4.37Å; I640-V848 HydrophobicContact CD1-CG1 4.07Å; I640-V848 HydrophobicContact CD1-CG2 3.51Å; I640-V848 HydrophobicContact CG2-CG1 3.9Å; I640-V848 HydrophobicContact CG2-CG2 4.07Å; A844-V848 WeakPolarHBondContact O-CG2 3.42Å; A844-V848 PolarHBondContact O-N 2.88Å; S845-V848 WeakPolarHBondContact O-CB 3.44Å; S845-V848 PolarHBondContact O-N 3.22Å; S845-V848 VanDerWaalsContact O-N 3.14Å; V846-V848 VanDerWaalsContact C-N 3.3Å; V846-V848 PolarHBondContact O-N 3.27Å; V848-W850 VanDerWaalsContact C-N 3.29Å; V848-W850 PolarHBondContact O-N 3.3Å; V848-R851 PolarHBondContact O-N 3.25Å; V848-I852 HydrophobicContact CG1-CD1 3.94Å; V848-I852 WeakPolarHBondContact O-CG1 3.5Å; V848-I852 PolarHBondContact O-N 3.43Å
849	F	89	Confident	82	Confident	1 Å²	1	28.2 Å²	28.2	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-33	178.1	-82	-81.2	0	0	0	112.4	F620 Y624 F735 M736 V740 S845 V846 H853	F620-F849 HydrophobicContact CE1-CZ 4.02Å; F620-F849 HydrophobicContact CZ-CE1 4.12Å; F620-F849 HydrophobicContact CZ-CZ 4.1Å; Y624-F849 HydrophobicContact CD2-CE2 4.1Å; Y624-F849 HydrophobicContact CE1-CE2 4.38Å; Y624-F849 AromaticContact CE2-CE2 3.84Å; Y624-F849 HydrophobicContact CE2-CE2 3.84Å; F735-F849 HydrophobicContact CD1-CB 4.32Å; F735-F849 HydrophobicContact CD1-CD1 4.04Å; F735-F849 HydrophobicContact CE1-CD1 4.09Å; M736-F849 HydrophobicContact CB-CB 4.01Å; M736-F849 HydrophobicContact CB-CD1 4.21Å; M736-F849 HydrophobicContact CB-CD2 3.91Å; M736-F849 HydrophobicContact CB-CE2 4.48Å; M736-F849 HydrophobicContact CB-CG 3.78Å; M736-F849 HydrophobicContact CE-CD2 4.28Å; M736-F849 HydrophobicContact CE-CE2 4.12Å; M736-F849 HydrophobicContact CG-CD1 4.41Å; M736-F849 HydrophobicContact CG-CD2 3.49Å; M736-F849 VanDerWaalsContact CG-CD2 3.49Å; M736-F849 HydrophobicContact CG-CE2 3.7Å; M736-F849 HydrophobicContact CG-CG 3.9Å; M736-F849 HydrophobicContact CG-CZ 4.24Å; M736-F849 HydrophobicContact SD-CD2 3.65Å; M736-F849 HydrophobicContact SD-CE2 4.05Å; M736-F849 HydrophobicContact SD-CG 4.42Å; V740-F849 HydrophobicContact CG2-CZ 4.38Å; S845-F849 VanDerWaalsContact O-CD2 3.29Å; S845-F849 WeakPolarHBondContact O-CD2 3.49Å; S845-F849 PolarHBondContact O-N 3.32Å; V846-F849 PolarHBondContact O-N 3.43Å; F849-H853 VanDerWaalsContact O-CB 3.24Å; F849-H853 WeakPolarHBondContact O-CB 3.41Å; F849-H853 PolarHBondContact O-N 3Å
850	W	89.9	Confident	84	Confident	12 Å²	12	19.9 Å²	19.9	5%	0.045	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-47.2	171.6	178.9	76.9	0	0	0	112	D720 N722 V723 P724 A732 V846 V847 V848 I852 H853 R854	D720-W850 HydrophobicContact CB-CH2 4.34Å; D720-W850 HydrophobicContact CB-CZ3 4.46Å; D720-W850 WeakPolarHBondContact O-CZ3 3.47Å; N722-W850 WeakPolarHBondContact O-CH2 3.28Å; N722-W850 WeakPolarHBondContact O-CZ3 3.34Å; V723-W850 HydrophobicContact CB-CD2 4.45Å; V723-W850 HydrophobicContact CG1-CD2 4.48Å; V723-W850 HydrophobicContact CG1-CG 4.37Å; V723-W850 HydrophobicContact CG2-CB 4.14Å; V723-W850 HydrophobicContact CG2-CD2 3.8Å; V723-W850 HydrophobicContact CG2-CE3 3.95Å; V723-W850 HydrophobicContact CG2-CG 3.86Å; P724-W850 VanDerWaalsContact CD-CZ2 3.41Å; P724-W850 HydrophobicContact CG-CZ2 4.29Å; A732-W850 HydrophobicContact CB-CB 3.56Å; A732-W850 HydrophobicContact CB-CG 4.2Å; V846-W850 WeakPolarHBondContact O-CB 3.28Å; V846-W850 PolarHBondContact O-N 3.5Å; V847-W850 PolarHBondContact O-N 2.85Å; V848-W850 VanDerWaalsContact C-N 3.29Å; V848-W850 PolarHBondContact O-N 3.3Å; W850-I852 PolarHBondContact O-N 3.44Å; W850-H853 PolarHBondContact O-N 3.01Å; W850-R854 VanDerWaalsContact CH2-NH1 3.28Å; W850-R854 WeakPolarHBondContact O-CB 3.23Å; W850-R854 PolarHBondContact O-N 2.96Å
851	R	89.9	Confident	85.8	Confident	17 Å²	17	21.2 Å²	21.2	6%	0.064	12%	0.117	C	C	.	.	H	α-helix	trans	-61.4	-43.8	178.1	-70.6	168.2	70.3	-159.6	5.7	111.7	D641 I718 D720 V847 V848 R854 M855	D641-R851 IonicContact OD1-CZ 3.2Å; D641-R851 IonicContact OD1-NH1 2.67Å; D641-R851 PolarHBondContact OD1-NH1 3.06Å; D641-R851 IonicContact OD1-NH2 2.84Å; D641-R851 PolarHBondContact OD1-NH2 2.9Å; I718-R851 VanDerWaalsContact O-CZ 3.25Å; I718-R851 PolarHBondContact O-NE 3.5Å; I718-R851 PolarHBondContact O-NH2 2.83Å; D720-R851 WeakPolarHBondContact O-CG 3.46Å; V847-R851 WeakPolarHBondContact O-CG 3.26Å; V847-R851 PolarHBondContact O-N 3.43Å; V848-R851 PolarHBondContact O-N 3.25Å; R851-R854 PolarHBondContact O-N 2.97Å; R851-M855 VanDerWaalsContact O-CB 3.27Å; R851-M855 WeakPolarHBondContact O-CB 3.29Å; R851-M855 PolarHBondContact O-N 3.12Å
852	I	90.4	Very high	87.6	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-63.2	-45.1	176.1	-65.8	170.8	0	0	0	110.8	W612 V619 F735 V848 W850 M855 L856	W612-I852 HydrophobicContact CZ3-CG2 4.05Å; V619-I852 HydrophobicContact CG1-CD1 3.72Å; V619-I852 HydrophobicContact CG2-CD1 4.48Å; F735-I852 HydrophobicContact CE1-CG2 4.37Å; V848-I852 HydrophobicContact CG1-CD1 3.94Å; V848-I852 WeakPolarHBondContact O-CG1 3.5Å; V848-I852 PolarHBondContact O-N 3.43Å; W850-I852 PolarHBondContact O-N 3.44Å; I852-M855 HydrophobicContact CG2-CE 4.47Å; I852-M855 PolarHBondContact O-N 2.82Å; I852-L856 WeakPolarHBondContact O-CB 3.3Å; I852-L856 PolarHBondContact O-N 3.28Å
853	H	91.3	Very high	89	Confident	31 Å²	31	16.5 Å²	16.5	14%	0.144	9%	0.087	C	C	.	.	H	α-helix	trans	-64	-42.6	178.5	-179.2	-112.7	0	0	0	112.3	F735 F849 W850 L856 N857	F735-H853 HydrophobicContact CD1-CB 3.78Å; F735-H853 AromaticContact CD2-CD2 3.71Å; F735-H853 HydrophobicContact CE1-CB 3.94Å; F735-H853 AromaticContact CE2-CD2 3.97Å; F735-H853 HydrophobicContact CG-CB 4.16Å; F735-H853 AromaticContact CG-CD2 3.89Å; F735-H853 HydrophobicContact CZ-CB 4.45Å; F849-H853 VanDerWaalsContact O-CB 3.24Å; F849-H853 WeakPolarHBondContact O-CB 3.41Å; F849-H853 PolarHBondContact O-N 3Å; W850-H853 PolarHBondContact O-N 3.01Å; H853-L856 PolarHBondContact O-N 2.95Å; H853-N857 PolarHBondContact CE1-ND2 2.91Å; H853-N857 PolarHBondContact ND1-ND2 3.08Å; H853-N857 PolarHBondContact NE2-ND2 2.8Å; H853-N857 VanDerWaalsContact NE2-ND2 3.17Å; H853-N857 PolarHBondContact O-N 3.24Å; H853-N857 PolarHBondContact O-ND2 3.31Å
854	R	91.2	Very high	89.8	Confident	85 Å²	85	18.6 Å²	18.6	32%	0.321	9%	0.093	S	C	.	.	H	α-helix	trans	-62.7	-47.7	176	-179.2	177.2	174.5	-177.4	-8.8	111.5	D720 W850 R851 N857 A858	D720-R854 IonicContact OD2-CZ 3.35Å; D720-R854 IonicContact OD2-NH1 3.69Å; D720-R854 PolarHBondContact OD2-NH1 3.29Å; D720-R854 IonicContact OD2-NH2 3.46Å; D720-R854 PolarHBondContact OD2-NH2 3.39Å; W850-R854 VanDerWaalsContact CH2-NH1 3.28Å; W850-R854 WeakPolarHBondContact O-CB 3.23Å; W850-R854 PolarHBondContact O-N 2.96Å; R851-R854 PolarHBondContact O-N 2.97Å; R854-N857 PolarHBondContact O-N 3.15Å; R854-A858 WeakPolarHBondContact O-CB 3.42Å; R854-A858 PolarHBondContact O-N 3.32Å
855	M	91.7	Very high	90.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-58.9	-46.3	175.1	177.2	-152.2	71.4	0	0	111.1	M615 V648 L652 Q714 A717 I718 R851 I852 N857 A858 T859	M615-M855 HydrophobicContact CE-CE 3.2Å; V648-M855 HydrophobicContact CG2-SD 4.44Å; L652-M855 HydrophobicContact CD2-CE 3.94Å; L652-M855 HydrophobicContact CD2-CG 4.45Å; L652-M855 HydrophobicContact CD2-SD 3.35Å; L652-M855 WeakPolarHBondContact CD2-SD 3.14Å; Q714-M855 HydrophobicContact CB-CG 4.32Å; Q714-M855 HydrophobicContact CG-CG 4.17Å; A717-M855 HydrophobicContact CB-CB 4.19Å; I718-M855 HydrophobicContact CD1-CB 4.33Å; I718-M855 HydrophobicContact CD1-CG 3.79Å; I718-M855 HydrophobicContact CD1-SD 3.36Å; I718-M855 WeakPolarHBondContact CD1-SD 3.49Å; I718-M855 HydrophobicContact CG1-CB 3.88Å; I718-M855 HydrophobicContact CG1-CG 3.88Å; I718-M855 HydrophobicContact CG1-SD 3.92Å; R851-M855 VanDerWaalsContact O-CB 3.27Å; R851-M855 WeakPolarHBondContact O-CB 3.29Å; R851-M855 PolarHBondContact O-N 3.12Å; I852-M855 HydrophobicContact CG2-CE 4.47Å; I852-M855 PolarHBondContact O-N 2.82Å; M855-N857 PolarHBondContact O-N 2.82Å; M855-A858 PolarHBondContact O-N 3.46Å; M855-T859 HydrophobicContact CG-CG2 4.46Å; M855-T859 VanDerWaalsContact O-CG2 3.24Å; M855-T859 WeakPolarHBondContact O-CG2 3.48Å; M855-T859 PolarHBondContact O-N 3.36Å; M855-T859 PolarHBondContact O-OG1 3.18Å
856	L	92.6	Very high	90.7	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-56.3	-49.4	176.5	-178.5	66	0	0	0	111.2	R608 I611 W612 M615 F735 I852 H853 A858 T859 V860	R608-L856 HydrophobicContact CG-CD2 4.16Å; I611-L856 HydrophobicContact CB-CD1 4.09Å; I611-L856 HydrophobicContact CG2-CD1 3.46Å; I611-L856 VanDerWaalsContact CG2-CD1 3.46Å; W612-L856 HydrophobicContact CE3-CD2 4.06Å; M615-L856 HydrophobicContact SD-CD1 4.24Å; F735-L856 HydrophobicContact CZ-CD2 4.44Å; I852-L856 WeakPolarHBondContact O-CB 3.3Å; I852-L856 PolarHBondContact O-N 3.28Å; H853-L856 PolarHBondContact O-N 2.95Å; L856-A858 PolarHBondContact O-N 2.87Å; L856-T859 WeakPolarHBondContact CA-OG1 3.38Å; L856-T859 PolarHBondContact O-N 3.17Å; L856-T859 PolarHBondContact O-OG1 3.45Å; L856-V860 HydrophobicContact CD1-CG2 4.41Å; L856-V860 VanDerWaalsContact O-CG2 3.31Å; L856-V860 WeakPolarHBondContact O-CG2 3.5Å; L856-V860 PolarHBondContact O-N 3.11Å
857	N	92.8	Very high	90.8	Very high	34 Å²	34	24.7 Å²	24.7	18%	0.182	12%	0.12	C	C	.	.	H	α-helix	trans	-64.8	-39.9	179	-71.5	-36.6	0	0	0	113	R608 H853 R854 M855 T859 V860 N861	R608-N857 PolarHBondContact NE-OD1 2.88Å; R608-N857 PolarHBondContact NH2-OD1 3.24Å; H853-N857 PolarHBondContact CE1-ND2 2.91Å; H853-N857 PolarHBondContact ND1-ND2 3.08Å; H853-N857 PolarHBondContact NE2-ND2 2.8Å; H853-N857 VanDerWaalsContact NE2-ND2 3.17Å; H853-N857 PolarHBondContact O-N 3.24Å; H853-N857 PolarHBondContact O-ND2 3.31Å; R854-N857 PolarHBondContact O-N 3.15Å; M855-N857 PolarHBondContact O-N 2.82Å; N857-T859 VanDerWaalsContact C-N 3.33Å; N857-T859 PolarHBondContact O-N 2.97Å; N857-V860 PolarHBondContact O-N 3.15Å; N857-N861 WeakPolarHBondContact O-CB 3.21Å; N857-N861 VanDerWaalsContact O-CG 3.29Å; N857-N861 PolarHBondContact O-N 3.44Å; N857-N861 PolarHBondContact O-ND2 3.11Å
858	A	92	Very high	90.8	Very high	29 Å²	29	26.2 Å²	26.2	24%	0.24	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-41.8	174.5	0	0	0	0	0	111.5	I713 A717 R854 M855 L856 A862	I713-A858 HydrophobicContact CG2-CB 4.01Å; A717-A858 HydrophobicContact CB-CB 4.09Å; R854-A858 WeakPolarHBondContact O-CB 3.42Å; R854-A858 PolarHBondContact O-N 3.32Å; M855-A858 PolarHBondContact O-N 3.46Å; L856-A858 PolarHBondContact O-N 2.87Å; A858-A862 WeakPolarHBondContact O-CB 3.5Å; A858-A862 PolarHBondContact O-N 3.42Å
859	T	93.3	Very high	90.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.1	-43.1	177.9	58.1	0	0	0	0	113.2	Q714 M855 L856 N857 N861 A862 L863	Q714-T859 HydrophobicContact CG-CG2 3.24Å; M855-T859 HydrophobicContact CG-CG2 4.46Å; M855-T859 VanDerWaalsContact O-CG2 3.24Å; M855-T859 WeakPolarHBondContact O-CG2 3.48Å; M855-T859 PolarHBondContact O-N 3.36Å; M855-T859 PolarHBondContact O-OG1 3.18Å; L856-T859 WeakPolarHBondContact CA-OG1 3.38Å; L856-T859 PolarHBondContact O-N 3.17Å; L856-T859 PolarHBondContact O-OG1 3.45Å; N857-T859 VanDerWaalsContact C-N 3.33Å; N857-T859 PolarHBondContact O-N 2.97Å; T859-N861 VanDerWaalsContact C-N 3.34Å; T859-N861 PolarHBondContact O-N 3.37Å; T859-A862 PolarHBondContact O-N 3.41Å; T859-L863 WeakPolarHBondContact O-CB 3.42Å; T859-L863 WeakPolarHBondContact O-CG 3.32Å; T859-L863 PolarHBondContact O-N 2.93Å
860	V	94.3	Very high	90.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.4	-45.6	177.2	167.7	0	0	0	0	110.4	E604 L607 R608 I611 L856 N857 L863 R864	E604-V860 HydrophobicContact CB-CG1 4.02Å; E604-V860 HydrophobicContact CG-CG1 4.08Å; L607-V860 HydrophobicContact CB-CG1 4.11Å; L607-V860 HydrophobicContact CB-CG2 4.34Å; R608-V860 HydrophobicContact CB-CG2 4.13Å; I611-V860 HydrophobicContact CD1-CG2 4Å; L856-V860 HydrophobicContact CD1-CG2 4.41Å; L856-V860 VanDerWaalsContact O-CG2 3.31Å; L856-V860 WeakPolarHBondContact O-CG2 3.5Å; L856-V860 PolarHBondContact O-N 3.11Å; N857-V860 PolarHBondContact O-N 3.15Å; V860-L863 PolarHBondContact O-N 3.03Å; V860-R864 WeakPolarHBondContact O-CB 3.17Å; V860-R864 PolarHBondContact O-N 2.94Å
861	N	93	Very high	90.5	Very high	69 Å²	69	33.8 Å²	33.8	37%	0.369	17%	0.167	S	C	.	.	H	α-helix	trans	-64.5	-43.1	178.3	-72.5	-16.8	0	0	0	112.2	N857 T859 Q865	N857-N861 WeakPolarHBondContact O-CB 3.21Å; N857-N861 VanDerWaalsContact O-CG 3.29Å; N857-N861 PolarHBondContact O-N 3.44Å; N857-N861 PolarHBondContact O-ND2 3.11Å; T859-N861 VanDerWaalsContact C-N 3.34Å; T859-N861 PolarHBondContact O-N 3.37Å; N861-Q865 WeakPolarHBondContact O-CG 3.47Å; N861-Q865 PolarHBondContact O-N 3.14Å; N861-Q865 VanDerWaalsContact O-N 3.1Å
862	A	92.3	Very high	90.3	Very high	9 Å²	9	33.3 Å²	33.3	7%	0.074	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-45.3	177.2	0	0	0	0	0	111.9	L710 I713 A858 T859 Q865 Q866	L710-A862 HydrophobicContact CD2-CB 3.92Å; I713-A862 HydrophobicContact CD1-CB 3.63Å; A858-A862 WeakPolarHBondContact O-CB 3.5Å; A858-A862 PolarHBondContact O-N 3.42Å; T859-A862 PolarHBondContact O-N 3.41Å; A862-Q865 PolarHBondContact O-N 3.4Å; A862-Q866 WeakPolarHBondContact O-CG 3.41Å; A862-Q866 PolarHBondContact O-N 3.2Å
863	L	92.9	Very high	90	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.2	-42.6	177.8	-77.7	170.3	0	0	0	112	L607 I611 C656 A660 W702 L710 T859 V860 Q865 Q866 I867	L607-L863 HydrophobicContact CD1-CB 4.21Å; I611-L863 HydrophobicContact CD1-CD1 3.55Å; C656-L863 HydrophobicContact CB-CD1 4.09Å; A660-L863 HydrophobicContact CB-CD1 4.07Å; A660-L863 HydrophobicContact CB-CD2 3.86Å; A660-L863 HydrophobicContact CB-CG 4.39Å; W702-L863 HydrophobicContact CZ2-CD2 4.12Å; L710-L863 HydrophobicContact CD1-CD2 3.71Å; L710-L863 HydrophobicContact CD1-CG 4.3Å; L710-L863 HydrophobicContact CD2-CD2 4.24Å; L710-L863 HydrophobicContact CD2-CG 4.07Å; T859-L863 WeakPolarHBondContact O-CB 3.42Å; T859-L863 WeakPolarHBondContact O-CG 3.32Å; T859-L863 PolarHBondContact O-N 2.93Å; V860-L863 PolarHBondContact O-N 3.03Å; L863-Q865 VanDerWaalsContact C-N 3.3Å; L863-Q865 PolarHBondContact O-N 3.48Å; L863-Q866 PolarHBondContact O-N 3.42Å; L863-Q866 VanDerWaalsContact O-N 3.15Å; L863-I867 WeakPolarHBondContact O-CB 3.32Å; L863-I867 VanDerWaalsContact O-CG1 3.32Å; L863-I867 WeakPolarHBondContact O-CG1 3.33Å; L863-I867 PolarHBondContact O-N 2.97Å
864	R	91.6	Very high	89.9	Confident	53 Å²	53	43.5 Å²	43.5	20%	0.2	20%	0.203	C	C	.	.	H	α-helix	trans	-56.8	-46.1	174	-176.4	-172.8	70.5	67.9	1.6	111.3	S600 W603 E604 L607 V860 Q866 I867 V868	S600-R864 WeakPolarHBondContact O-CD 3.37Å; W603-R864 HydrophobicContact CB-CG 3.92Å; E604-R864 IonicContact OE1-NE 2.64Å; E604-R864 PolarHBondContact OE1-NE 2.99Å; E604-R864 VanDerWaalsContact OE1-NE 3.12Å; L607-R864 HydrophobicContact CD1-CB 4.13Å; V860-R864 WeakPolarHBondContact O-CB 3.17Å; V860-R864 PolarHBondContact O-N 2.94Å; R864-Q866 VanDerWaalsContact C-N 3.34Å; R864-I867 PolarHBondContact O-N 3.17Å; R864-V868 HydrophobicContact CG-CG2 4.48Å; R864-V868 WeakPolarHBondContact O-CG2 3.46Å; R864-V868 PolarHBondContact O-N 2.74Å
865	Q	90.5	Very high	89.7	Confident	107 Å²	107	39.5 Å²	39.5	50%	0.5	19%	0.188	S	C	.	.	H	α-helix	trans	-64.4	-38.7	177.5	-73.2	178.5	-10.4	0	0	112.1	N861 A862 L863 N869	N861-Q865 WeakPolarHBondContact O-CG 3.47Å; N861-Q865 PolarHBondContact O-N 3.14Å; N861-Q865 VanDerWaalsContact O-N 3.1Å; A862-Q865 PolarHBondContact O-N 3.4Å; L863-Q865 VanDerWaalsContact C-N 3.3Å; L863-Q865 PolarHBondContact O-N 3.48Å; Q865-N869 WeakPolarHBondContact O-CB 3.02Å; Q865-N869 PolarHBondContact O-N 3.28Å; Q865-N869 PolarHBondContact O-ND2 2.95Å
866	Q	89.5	Confident	89.5	Confident	34 Å²	34	41 Å²	41	16%	0.159	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-42.7	175	-73.1	179.2	14.3	0	0	112.1	A862 L863 R864 K870 E871	A862-Q866 WeakPolarHBondContact O-CG 3.41Å; A862-Q866 PolarHBondContact O-N 3.2Å; L863-Q866 PolarHBondContact O-N 3.42Å; L863-Q866 VanDerWaalsContact O-N 3.15Å; R864-Q866 VanDerWaalsContact C-N 3.34Å; Q866-K870 WeakPolarHBondContact O-CB 3.1Å; Q866-K870 PolarHBondContact O-N 2.86Å; Q866-K870 VanDerWaalsContact O-N 3.07Å; Q866-E871 PolarHBondContact O-N 3.47Å
867	I	88	Confident	89.3	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.217	C	C	.	.	I	π-helix	trans	-59.6	-58.4	177.4	-72.6	167.3	0	0	0	110.3	W603 L607 A660 L664 W702 L863 R864 N869 E871 A872	W603-I867 HydrophobicContact CE3-CD1 4.17Å; W603-I867 HydrophobicContact CE3-CG2 4.45Å; W603-I867 HydrophobicContact CH2-CG2 3.98Å; W603-I867 HydrophobicContact CZ2-CG2 4.05Å; W603-I867 HydrophobicContact CZ3-CD1 4.08Å; W603-I867 HydrophobicContact CZ3-CG2 4.19Å; L607-I867 HydrophobicContact CD1-CD1 4.05Å; L607-I867 HydrophobicContact CD2-CD1 3.97Å; A660-I867 HydrophobicContact CB-CD1 4.32Å; L664-I867 HydrophobicContact CD1-CG2 4Å; W702-I867 HydrophobicContact CH2-CD1 4.17Å; W702-I867 HydrophobicContact CH2-CG1 3.59Å; W702-I867 HydrophobicContact CZ2-CG1 4.24Å; L863-I867 WeakPolarHBondContact O-CB 3.32Å; L863-I867 VanDerWaalsContact O-CG1 3.32Å; L863-I867 WeakPolarHBondContact O-CG1 3.33Å; L863-I867 PolarHBondContact O-N 2.97Å; R864-I867 PolarHBondContact O-N 3.17Å; I867-N869 PolarHBondContact O-N 3.36Å; I867-E871 PolarHBondContact O-N 2.8Å; I867-A872 WeakPolarHBondContact O-CB 3.28Å; I867-A872 PolarHBondContact O-N 3.24Å
868	V	85	Confident	89.1	Confident	53 Å²	53	43.2 Å²	43.2	32%	0.321	21%	0.214	S	C	.	.	I	π-helix	trans	-67.6	-41.7	-172.6	175.9	0	0	0	0	111.8	R864	R864-V868 HydrophobicContact CG-CG2 4.48Å; R864-V868 WeakPolarHBondContact O-CG2 3.46Å; R864-V868 PolarHBondContact O-N 2.74Å
869	N	85	Confident	88.9	Confident	102 Å²	102	41.9 Å²	41.9	55%	0.545	20%	0.203	S	C	.	.	I	π-helix	trans	-84.8	-25.7	-172.9	-65.4	-25.8	0	0	0	113.8	Q865 I867	Q865-N869 WeakPolarHBondContact O-CB 3.02Å; Q865-N869 PolarHBondContact O-N 3.28Å; Q865-N869 PolarHBondContact O-ND2 2.95Å; I867-N869 PolarHBondContact O-N 3.36Å
870	K	86.1	Confident	88.7	Confident	78 Å²	78	46.1 Å²	46.1	34%	0.339	22%	0.222	S	C	.	.	I	π-helix	trans	-132.2	-56.3	-167	-167.5	176.6	-178.3	177.6	0	113.4	D703 Q866 R874	D703-K870 VanDerWaalsContact CG-NZ 3.28Å; D703-K870 IonicContact OD1-NZ 3.46Å; D703-K870 IonicContact OD2-NZ 2.6Å; D703-K870 PolarHBondContact OD2-NZ 3.47Å; Q866-K870 WeakPolarHBondContact O-CB 3.1Å; Q866-K870 PolarHBondContact O-N 2.86Å; Q866-K870 VanDerWaalsContact O-N 3.07Å; K870-R874 VanDerWaalsContact CE-CZ 3.44Å; K870-R874 WeakPolarHBondContact O-CG 3.46Å; K870-R874 PolarHBondContact O-N 3.35Å
871	E	86.5	Confident	88.4	Confident	2 Å²	2	53 Å²	53	1%	0.009	25%	0.248	C	C	.	.	I	π-helix	trans	-73.7	-35.7	-170.4	-63.5	-61.1	142.8	0	0	113	H700 W702 D703 Q866 I867 R873 R874 L875	H700-E871 IonicContact CE1-OE2 3.25Å; H700-E871 PolarHBondContact CE1-OE2 3Å; H700-E871 VanDerWaalsContact CE1-OE2 3.26Å; H700-E871 IonicContact NE2-OE2 3.32Å; H700-E871 PolarHBondContact NE2-OE2 3.38Å; W702-E871 HydrophobicContact CD2-CG 4.08Å; W702-E871 HydrophobicContact CE3-CG 4.42Å; W702-E871 HydrophobicContact CH2-CG 4.13Å; W702-E871 HydrophobicContact CZ2-CG 3.78Å; W702-E871 HydrophobicContact CZ3-CG 4.43Å; D703-E871 WeakPolarHBondContact CB-OE1 2.91Å; D703-E871 PolarHBondContact N-OE1 3.16Å; Q866-E871 PolarHBondContact O-N 3.47Å; I867-E871 PolarHBondContact O-N 2.8Å; E871-R873 PolarHBondContact O-N 3.42Å; E871-R874 PolarHBondContact O-N 2.89Å; E871-R874 IonicContact OE1-NH1 3.66Å; E871-L875 WeakPolarHBondContact O-CB 3.44Å; E871-L875 PolarHBondContact O-N 2.68Å
872	A	85.3	Confident	88.2	Confident	6 Å²	6	49.8 Å²	49.8	5%	0.05	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-47	174.3	0	0	0	0	0	111.7	L595 I867 R874 L875 E876	L595-A872 HydrophobicContact CD2-CB 4.42Å; I867-A872 WeakPolarHBondContact O-CB 3.28Å; I867-A872 PolarHBondContact O-N 3.24Å; A872-R874 PolarHBondContact O-N 2.95Å; A872-L875 PolarHBondContact O-N 3.35Å; A872-E876 WeakPolarHBondContact O-CB 3.33Å; A872-E876 PolarHBondContact O-N 2.84Å
873	R	85.6	Confident	88	Confident	151 Å²	151	49.6 Å²	49.6	57%	0.57	23%	0.228	S	C	*	.	H	α-helix	trans	-66	-34.8	176.5	-66.4	-178.8	-176.1	167.3	0.5	113.5	E871 A877	E871-R873 PolarHBondContact O-N 3.42Å; R873-A877 WeakPolarHBondContact O-CB 3.13Å; R873-A877 PolarHBondContact O-N 3.5Å
874	R	88.6	Confident	87.7	Confident	97 Å²	97	53.7 Å²	53.7	37%	0.366	25%	0.253	S	S	.	.	H	α-helix	trans	-67.4	-44	175.3	-80	-179.5	159.2	-168.9	-9.4	111.3	D703 K870 E871 A872 E876 A877 E878	D703-R874 IonicContact OD1-CZ 3.12Å; D703-R874 IonicContact OD1-NH1 3.04Å; D703-R874 PolarHBondContact OD1-NH1 3.09Å; D703-R874 VanDerWaalsContact OD1-NH1 3.1Å; D703-R874 IonicContact OD1-NH2 2.71Å; K870-R874 VanDerWaalsContact CE-CZ 3.44Å; K870-R874 WeakPolarHBondContact O-CG 3.46Å; K870-R874 PolarHBondContact O-N 3.35Å; E871-R874 PolarHBondContact O-N 2.89Å; E871-R874 IonicContact OE1-NH1 3.66Å; A872-R874 PolarHBondContact O-N 2.95Å; R874-E876 VanDerWaalsContact C-N 3.35Å; R874-A877 PolarHBondContact O-N 3.49Å; R874-E878 WeakPolarHBondContact O-CB 3.28Å; R874-E878 PolarHBondContact O-N 3.12Å
875	L	87.7	Confident	87.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-44.7	174.6	-175.7	74.7	0	0	0	111.2	L664 L668 A696 F697 H700 E871 A872 A877 E878 I879	L664-L875 HydrophobicContact CD2-CD2 3.88Å; L668-L875 HydrophobicContact CD2-CD2 4.1Å; A696-L875 HydrophobicContact CB-CD1 4.49Å; F697-L875 HydrophobicContact CD1-CD1 4.46Å; F697-L875 HydrophobicContact CE1-CD1 4.18Å; F697-L875 HydrophobicContact CZ-CD1 4.45Å; F697-L875 HydrophobicContact CZ-CD2 4.39Å; H700-L875 HydrophobicContact CB-CD1 4.43Å; E871-L875 WeakPolarHBondContact O-CB 3.44Å; E871-L875 PolarHBondContact O-N 2.68Å; A872-L875 PolarHBondContact O-N 3.35Å; L875-A877 VanDerWaalsContact C-N 3.35Å; L875-A877 PolarHBondContact O-N 3.01Å; L875-E878 PolarHBondContact O-N 3.22Å; L875-I879 HydrophobicContact CD1-CD1 4.48Å; L875-I879 HydrophobicContact CD2-CD1 4.39Å; L875-I879 HydrophobicContact CG-CD1 3.93Å; L875-I879 WeakPolarHBondContact O-CG1 3.25Å; L875-I879 PolarHBondContact O-N 2.91Å
876	E	87	Confident	87.3	Confident	32 Å²	32	52.5 Å²	52.5	15%	0.15	25%	0.249	C	C	.	.	H	α-helix	trans	-57.8	-46	175.6	-175.5	-162.6	162.8	0	0	111.8	I592 A872 R874 E878 I879 K880	I592-E876 HydrophobicContact CG2-CB 3.82Å; I592-E876 HydrophobicContact CG2-CG 3.78Å; A872-E876 WeakPolarHBondContact O-CB 3.33Å; A872-E876 PolarHBondContact O-N 2.84Å; R874-E876 VanDerWaalsContact C-N 3.35Å; E876-E878 VanDerWaalsContact C-N 3.31Å; E876-E878 PolarHBondContact O-N 2.86Å; E876-I879 PolarHBondContact O-N 3.37Å; E876-K880 HydrophobicContact CG-CD 4.28Å; E876-K880 WeakPolarHBondContact O-CB 3.45Å; E876-K880 WeakPolarHBondContact O-CG 3.16Å; E876-K880 PolarHBondContact O-N 3.45Å; E876-K880 VanDerWaalsContact OE1-CE 3.25Å; E876-K880 WeakPolarHBondContact OE1-CE 3.3Å; E876-K880 IonicContact OE1-NZ 3.96Å; E876-K880 PolarHBondContact OE1-NZ 3.41Å
877	A	88.6	Confident	87.1	Confident	58 Å²	58	52.6 Å²	52.6	48%	0.479	25%	0.253	S	S	.	.	H	α-helix	trans	-62.6	-38.7	177.5	0	0	0	0	0	112.4	R873 R874 L875 K880 R881	R873-A877 WeakPolarHBondContact O-CB 3.13Å; R873-A877 PolarHBondContact O-N 3.5Å; R874-A877 PolarHBondContact O-N 3.49Å; L875-A877 VanDerWaalsContact C-N 3.35Å; L875-A877 PolarHBondContact O-N 3.01Å; A877-K880 PolarHBondContact O-N 3.48Å; A877-R881 PolarHBondContact O-N 3.05Å
878	E	88	Confident	86.8	Confident	26 Å²	26	60.2 Å²	60.2	12%	0.121	29%	0.288	C	S	.	.	H	α-helix	trans	-68.4	-44	177.9	-171.6	58.3	-156.8	0	0	111.8	A699 H700 R874 L875 E876 K880 R881 I882	A699-E878 HydrophobicContact CB-CG 4.31Å; A699-E878 WeakPolarHBondContact CB-OE1 3.47Å; H700-E878 HydrophobicContact CB-CG 4.35Å; R874-E878 WeakPolarHBondContact O-CB 3.28Å; R874-E878 PolarHBondContact O-N 3.12Å; L875-E878 PolarHBondContact O-N 3.22Å; E876-E878 VanDerWaalsContact C-N 3.31Å; E876-E878 PolarHBondContact O-N 2.86Å; E878-K880 PolarHBondContact O-N 3.02Å; E878-R881 WeakPolarHBondContact O-CB 3.47Å; E878-R881 PolarHBondContact O-N 3.4Å; E878-R881 IonicContact OE1-CZ 3.26Å; E878-R881 IonicContact OE1-NE 3.12Å; E878-R881 PolarHBondContact OE1-NE 3.21Å; E878-R881 IonicContact OE1-NH1 2.92Å; E878-R881 IonicContact OE1-NH2 2.64Å; E878-R881 PolarHBondContact OE1-NH2 3.47Å; E878-R881 IonicContact OE2-CZ 3.22Å; E878-R881 IonicContact OE2-NE 2.69Å; E878-R881 IonicContact OE2-NH1 3.68Å; E878-R881 PolarHBondContact OE2-NH1 2.91Å; E878-R881 IonicContact OE2-NH2 3.69Å; E878-R881 PolarHBondContact OE2-NH2 3.5Å; E878-I882 HydrophobicContact CG-CD1 4.35Å; E878-I882 WeakPolarHBondContact O-CG1 3.44Å; E878-I882 PolarHBondContact O-N 3.34Å
879	I	88.3	Confident	86.7	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-46	174	-67.6	167.2	0	0	0	110.3	L588 I592 I692 A696 L875 E876 R881 I882 I883	L588-I879 HydrophobicContact CD2-CG2 3.8Å; L588-I879 HydrophobicContact CG-CG2 4.36Å; I592-I879 HydrophobicContact CD1-CB 3.97Å; I592-I879 HydrophobicContact CD1-CD1 3.49Å; I592-I879 VanDerWaalsContact CD1-CD1 3.49Å; I592-I879 HydrophobicContact CD1-CG1 4.32Å; I592-I879 HydrophobicContact CD1-CG2 3.62Å; I592-I879 HydrophobicContact CG1-CD1 3.97Å; I692-I879 HydrophobicContact CG2-CG2 3.86Å; A696-I879 HydrophobicContact CB-CD1 4.39Å; A696-I879 HydrophobicContact CB-CG1 3.51Å; L875-I879 HydrophobicContact CD1-CD1 4.48Å; L875-I879 HydrophobicContact CD2-CD1 4.39Å; L875-I879 HydrophobicContact CG-CD1 3.93Å; L875-I879 WeakPolarHBondContact O-CG1 3.25Å; L875-I879 PolarHBondContact O-N 2.91Å; E876-I879 PolarHBondContact O-N 3.37Å; I879-R881 VanDerWaalsContact C-N 3.29Å; I879-R881 PolarHBondContact O-N 3.21Å; I879-I882 PolarHBondContact O-N 3.11Å; I879-I883 HydrophobicContact CG2-CD1 3.76Å; I879-I883 HydrophobicContact CG2-CG1 4.25Å; I879-I883 VanDerWaalsContact O-CG1 3.27Å; I879-I883 WeakPolarHBondContact O-CG1 3.45Å; I879-I883 PolarHBondContact O-N 3.41Å
880	K	88.7	Confident	86.3	Confident	90 Å²	90	58.9 Å²	58.9	39%	0.391	29%	0.287	S	S	.	.	H	α-helix	trans	-57	-41.7	175.6	-78.6	173.7	173.7	176.5	0	112.2	L589 E876 A877 E878 I883 V884	L589-K880 HydrophobicContact CD2-CD 4.31Å; L589-K880 VanDerWaalsContact CD2-CE 3.47Å; L589-K880 HydrophobicContact CD2-CG 3.81Å; E876-K880 HydrophobicContact CG-CD 4.28Å; E876-K880 WeakPolarHBondContact O-CB 3.45Å; E876-K880 WeakPolarHBondContact O-CG 3.16Å; E876-K880 PolarHBondContact O-N 3.45Å; E876-K880 VanDerWaalsContact OE1-CE 3.25Å; E876-K880 WeakPolarHBondContact OE1-CE 3.3Å; E876-K880 IonicContact OE1-NZ 3.96Å; E876-K880 PolarHBondContact OE1-NZ 3.41Å; A877-K880 PolarHBondContact O-N 3.48Å; E878-K880 PolarHBondContact O-N 3.02Å; K880-I883 PolarHBondContact O-N 2.9Å; K880-V884 WeakPolarHBondContact O-CG2 3.45Å; K880-V884 PolarHBondContact O-N 3.01Å; K880-V884 VanDerWaalsContact O-N 3.13Å
881	R	89.1	Confident	86.2	Confident	145 Å²	145	60.7 Å²	60.7	55%	0.547	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-48	176.9	-170.4	-175	74.5	177	9.4	111.7	A877 E878 I879 I883 V884 E885	A877-R881 PolarHBondContact O-N 3.05Å; E878-R881 WeakPolarHBondContact O-CB 3.47Å; E878-R881 PolarHBondContact O-N 3.4Å; E878-R881 IonicContact OE1-CZ 3.26Å; E878-R881 IonicContact OE1-NE 3.12Å; E878-R881 PolarHBondContact OE1-NE 3.21Å; E878-R881 IonicContact OE1-NH1 2.92Å; E878-R881 IonicContact OE1-NH2 2.64Å; E878-R881 PolarHBondContact OE1-NH2 3.47Å; E878-R881 IonicContact OE2-CZ 3.22Å; E878-R881 IonicContact OE2-NE 2.69Å; E878-R881 IonicContact OE2-NH1 3.68Å; E878-R881 PolarHBondContact OE2-NH1 2.91Å; E878-R881 IonicContact OE2-NH2 3.69Å; E878-R881 PolarHBondContact OE2-NH2 3.5Å; I879-R881 VanDerWaalsContact C-N 3.29Å; I879-R881 PolarHBondContact O-N 3.21Å; R881-I883 VanDerWaalsContact C-N 3.34Å; R881-I883 PolarHBondContact O-N 3.21Å; R881-V884 PolarHBondContact O-N 2.64Å; R881-E885 PolarHBondContact O-N 2.96Å
882	I	88.4	Confident	85.8	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-42.2	179.1	-67.4	165.5	0	0	0	110.9	I692 Q695 A696 E878 I879 V884 E885 W886	I692-I882 HydrophobicContact CG2-CG2 4.32Å; Q695-I882 HydrophobicContact CB-CD1 4.19Å; Q695-I882 HydrophobicContact CG-CD1 3.98Å; A696-I882 VanDerWaalsContact CA-CD1 3.46Å; A696-I882 HydrophobicContact CB-CD1 3.86Å; E878-I882 HydrophobicContact CG-CD1 4.35Å; E878-I882 WeakPolarHBondContact O-CG1 3.44Å; E878-I882 PolarHBondContact O-N 3.34Å; I879-I882 PolarHBondContact O-N 3.11Å; I882-V884 VanDerWaalsContact C-N 3.33Å; I882-V884 PolarHBondContact O-N 3.26Å; I882-E885 PolarHBondContact O-N 3.03Å; I882-W886 HydrophobicContact CG2-CD2 4.19Å; I882-W886 HydrophobicContact CG2-CG 4.33Å; I882-W886 WeakPolarHBondContact O-CB 3.41Å; I882-W886 PolarHBondContact O-N 2.71Å
883	I	87.4	Confident	85.6	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-43.2	177	-66.8	168.1	0	0	0	111.4	F581 R585 L588 I692 I879 K880 R881 W886 S887	F581-I883 HydrophobicContact CE1-CG2 3.82Å; F581-I883 HydrophobicContact CZ-CG2 4.06Å; R585-I883 HydrophobicContact CB-CG2 4.06Å; R585-I883 HydrophobicContact CG-CD1 4.2Å; R585-I883 HydrophobicContact CG-CG2 3.77Å; L588-I883 HydrophobicContact CD2-CD1 3.98Å; L588-I883 HydrophobicContact CD2-CG1 4.48Å; I692-I883 HydrophobicContact CD1-CG1 4.21Å; I692-I883 HydrophobicContact CG2-CG1 4.4Å; I879-I883 HydrophobicContact CG2-CD1 3.76Å; I879-I883 HydrophobicContact CG2-CG1 4.25Å; I879-I883 VanDerWaalsContact O-CG1 3.27Å; I879-I883 WeakPolarHBondContact O-CG1 3.45Å; I879-I883 PolarHBondContact O-N 3.41Å; K880-I883 PolarHBondContact O-N 2.9Å; R881-I883 VanDerWaalsContact C-N 3.34Å; R881-I883 PolarHBondContact O-N 3.21Å; I883-W886 PolarHBondContact O-N 3.36Å; I883-S887 WeakPolarHBondContact O-CB 3.31Å; I883-S887 PolarHBondContact O-N 3.4Å
884	V	87.1	Confident	85.4	Confident	85 Å²	85	61 Å²	61	52%	0.515	31%	0.307	S	S	.	.	H	α-helix	trans	-66.6	-38.7	179	172.1	0	0	0	0	111.4	K880 R881 I882 S887	K880-V884 WeakPolarHBondContact O-CG2 3.45Å; K880-V884 PolarHBondContact O-N 3.01Å; K880-V884 VanDerWaalsContact O-N 3.13Å; R881-V884 PolarHBondContact O-N 2.64Å; I882-V884 VanDerWaalsContact C-N 3.33Å; I882-V884 PolarHBondContact O-N 3.26Å; V884-S887 PolarHBondContact O-OG 3.25Å
885	E	86.9	Confident	85.1	Confident	112 Å²	112	63.7 Å²	63.7	52%	0.523	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-44	174.8	-172.9	-178.3	168.5	0	0	111.3	R881 I882 Q888	R881-E885 PolarHBondContact O-N 2.96Å; I882-E885 PolarHBondContact O-N 3.03Å; E885-Q888 PolarHBondContact O-N 2.92Å
886	W	87.3	Confident	84.7	Confident	24 Å²	24	65.5 Å²	65.5	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-73.9	-25.4	-179.6	-75.4	19.8	0	0	0	113.3	F581 L688 A691 I692 Q695 I882 I883 Q888 N889 V892 F896	F581-W886 HydrophobicContact CE2-CB 4.19Å; F581-W886 HydrophobicContact CZ-CB 3.97Å; L688-W886 HydrophobicContact CD1-CE3 3.85Å; L688-W886 HydrophobicContact CD1-CZ3 3.89Å; A691-W886 HydrophobicContact CB-CH2 3.75Å; A691-W886 HydrophobicContact CB-CZ3 4.08Å; I692-W886 HydrophobicContact CD1-CE3 4.31Å; I692-W886 HydrophobicContact CD1-CZ3 4.47Å; I692-W886 HydrophobicContact CG1-CE3 3.66Å; I692-W886 HydrophobicContact CG1-CH2 4.39Å; I692-W886 HydrophobicContact CG1-CZ3 3.54Å; Q695-W886 VanDerWaalsContact OE1-NE1 3.09Å; I882-W886 HydrophobicContact CG2-CD2 4.19Å; I882-W886 HydrophobicContact CG2-CG 4.33Å; I882-W886 WeakPolarHBondContact O-CB 3.41Å; I882-W886 PolarHBondContact O-N 2.71Å; I883-W886 PolarHBondContact O-N 3.36Å; W886-Q888 PolarHBondContact O-N 3.44Å; W886-N889 PolarHBondContact O-N 2.77Å; W886-V892 HydrophobicContact CB-CG1 4.04Å; W886-V892 HydrophobicContact CD2-CG1 3.46Å; W886-V892 VanDerWaalsContact CD2-CG1 3.46Å; W886-V892 HydrophobicContact CE3-CG1 3.61Å; W886-V892 HydrophobicContact CG-CG1 3.71Å; W886-V892 HydrophobicContact CZ2-CG1 4.4Å; W886-V892 HydrophobicContact CZ3-CG1 4.18Å; W886-F896 HydrophobicContact CE3-CD2 4.45Å; W886-F896 HydrophobicContact CE3-CE2 4.48Å; W886-F896 HydrophobicContact CH2-CD2 4.14Å; W886-F896 AromaticContact CH2-CE2 3.49Å; W886-F896 HydrophobicContact CH2-CE2 3.49Å; W886-F896 VanDerWaalsContact CH2-CE2 3.49Å; W886-F896 AromaticContact CH2-CZ 3.84Å; W886-F896 HydrophobicContact CH2-CZ 3.84Å; W886-F896 HydrophobicContact CZ2-CE2 4.12Å; W886-F896 AromaticContact CZ3-CD2 3.85Å; W886-F896 HydrophobicContact CZ3-CD2 3.85Å; W886-F896 AromaticContact CZ3-CE2 3.69Å; W886-F896 HydrophobicContact CZ3-CE2 3.69Å; W886-F896 HydrophobicContact CZ3-CZ 4.31Å
887	S	83.6	Confident	84.3	Confident	35 Å²	35	64 Å²	64	25%	0.245	32%	0.322	C	S	.	.	H	α-helix	trans	-66.7	-22.3	176.6	80.4	0	0	0	0	112.7	F581 I883 V884 K893	F581-S887 VanDerWaalsContact CE1-CB 3.49Å; I883-S887 WeakPolarHBondContact O-CB 3.31Å; I883-S887 PolarHBondContact O-N 3.4Å; V884-S887 PolarHBondContact O-OG 3.25Å; S887-K893 WeakPolarHBondContact O-CE 3.49Å; S887-K893 PolarHBondContact O-NZ 3.07Å
888	Q	81.7	Confident	83.7	Confident	162 Å²	162	65.4 Å²	65.4	76%	0.757	32%	0.324	S	S	*	.	H	α-helix	trans	-89.8	-18.7	177.4	-63	179.5	2.5	0	0	112.6	E885 W886	E885-Q888 PolarHBondContact O-N 2.92Å; W886-Q888 PolarHBondContact O-N 3.44Å
889	N	83.1	Confident	83.1	Confident	71 Å²	71	65 Å²	65	38%	0.38	33%	0.327	S	S	.	.			trans	-96.1	104.6	-173	-166.4	-28.4	0	0	0	112	W886 D891 V892 K893	W886-N889 PolarHBondContact O-N 2.77Å; N889-D891 VanDerWaalsContact C-N 3.3Å; N889-D891 PolarHBondContact O-N 3Å; N889-D891 PolarHBondContact OD1-N 3.46Å; N889-V892 HydrophobicContact CB-CB 4.12Å; N889-V892 HydrophobicContact CB-CG2 3.9Å; N889-V892 PolarHBondContact O-N 3.5Å; N889-V892 PolarHBondContact OD1-N 3.09Å; N889-K893 PolarHBondContact O-N 2.93Å
890	A	78.2	Confident	82.6	Confident	57 Å²	57	70 Å²	70	47%	0.471	35%	0.346	S	S	.	.	H	α-helix	trans	-63.1	-32.3	-178.4	0	0	0	0	0	113.5	K893 K894	A890-K893 PolarHBondContact O-N 3.21Å; A890-K894 WeakPolarHBondContact O-CG 3.33Å; A890-K894 PolarHBondContact O-N 3.18Å
891	D	82	Confident	82.1	Confident	116 Å²	116	66.4 Å²	66.4	62%	0.62	33%	0.331	S	S	*	.	H	α-helix	trans	-71.5	-38.4	-178.6	-66.9	-29.3	0	0	0	111.7	N889 K893 K894 K895	N889-D891 VanDerWaalsContact C-N 3.3Å; N889-D891 PolarHBondContact O-N 3Å; N889-D891 PolarHBondContact OD1-N 3.46Å; D891-K893 VanDerWaalsContact C-N 3.34Å; D891-K894 PolarHBondContact O-N 2.85Å; D891-K895 WeakPolarHBondContact O-CB 3.24Å; D891-K895 PolarHBondContact O-N 3.09Å
892	V	79.7	Confident	81.6	Confident	23 Å²	23	59.6 Å²	59.6	14%	0.139	31%	0.306	C	S	.	.	H	α-helix	trans	-62.5	-44.6	175	173.1	0	0	0	0	110.1	W886 N889 K894 K895 F896	W886-V892 HydrophobicContact CB-CG1 4.04Å; W886-V892 HydrophobicContact CD2-CG1 3.46Å; W886-V892 VanDerWaalsContact CD2-CG1 3.46Å; W886-V892 HydrophobicContact CE3-CG1 3.61Å; W886-V892 HydrophobicContact CG-CG1 3.71Å; W886-V892 HydrophobicContact CZ2-CG1 4.4Å; W886-V892 HydrophobicContact CZ3-CG1 4.18Å; N889-V892 HydrophobicContact CB-CB 4.12Å; N889-V892 HydrophobicContact CB-CG2 3.9Å; N889-V892 PolarHBondContact O-N 3.5Å; N889-V892 PolarHBondContact OD1-N 3.09Å; V892-K894 PolarHBondContact O-N 3.24Å; V892-K895 PolarHBondContact O-N 3.2Å; V892-F896 HydrophobicContact CG1-CD2 3.71Å; V892-F896 HydrophobicContact CG1-CE2 3.88Å; V892-F896 VanDerWaalsContact O-CD2 3.27Å; V892-F896 WeakPolarHBondContact O-CD2 3.44Å; V892-F896 PolarHBondContact O-N 2.92Å; V892-F896 VanDerWaalsContact O-N 3.09Å
893	K	81.2	Confident	81.2	Confident	21 Å²	21	63.6 Å²	63.6	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-61	-44.6	175.5	-61.7	178.4	-176.9	169.8	0	111.3	R577 D578 F581 S887 N889 A890 D891 K895 I897	R577-K893 VanDerWaalsContact CD-CB 3.49Å; R577-K893 HydrophobicContact CG-CB 4.05Å; D578-K893 WeakPolarHBondContact OD1-CD 3.5Å; D578-K893 IonicContact OD1-NZ 2.68Å; D578-K893 PolarHBondContact OD1-NZ 2.85Å; F581-K893 HydrophobicContact CD2-CG 4.05Å; S887-K893 WeakPolarHBondContact O-CE 3.49Å; S887-K893 PolarHBondContact O-NZ 3.07Å; N889-K893 PolarHBondContact O-N 2.93Å; A890-K893 PolarHBondContact O-N 3.21Å; D891-K893 VanDerWaalsContact C-N 3.34Å; K893-K895 VanDerWaalsContact C-N 3.27Å; K893-K895 PolarHBondContact O-N 3.31Å; K893-I897 WeakPolarHBondContact O-CB 3.25Å; K893-I897 PolarHBondContact O-N 3.4Å
894	K	80.1	Confident	80.8	Confident	120 Å²	120	63.4 Å²	63.4	52%	0.522	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-35.4	175.7	-80.1	175.3	179.6	177.3	0	112.8	A890 D891 V892 V898	A890-K894 WeakPolarHBondContact O-CG 3.33Å; A890-K894 PolarHBondContact O-N 3.18Å; D891-K894 PolarHBondContact O-N 2.85Å; V892-K894 PolarHBondContact O-N 3.24Å; K894-V898 VanDerWaalsContact O-CG2 3.27Å; K894-V898 WeakPolarHBondContact O-CG2 3.42Å
895	K	83.3	Confident	80.5	Confident	154 Å²	154	59.4 Å²	59.4	67%	0.67	30%	0.299	S	S	*	.	H	α-helix	trans	-74.1	-40.5	-177.8	-174.2	178.8	179.5	-178.6	0	113.4	D891 V892 K893 V898	D891-K895 WeakPolarHBondContact O-CB 3.24Å; D891-K895 PolarHBondContact O-N 3.09Å; V892-K895 PolarHBondContact O-N 3.2Å; K893-K895 VanDerWaalsContact C-N 3.27Å; K893-K895 PolarHBondContact O-N 3.31Å; K895-V898 WeakPolarHBondContact O-CG2 3.35Å
896	F	78.9	Confident	79.9	Confident	39 Å²	39	56.9 Å²	56.9	17%	0.171	29%	0.287	C	S	.	.	H	α-helix	trans	-100.7	-29.8	-172.5	-66.3	-68.4	0	0	0	114	P687 L688 A691 W886 V892 V898	P687-F896 HydrophobicContact CB-CD1 4.44Å; L688-F896 HydrophobicContact CB-CB 4.03Å; L688-F896 HydrophobicContact CD1-CB 3.73Å; L688-F896 HydrophobicContact CD1-CD2 4.32Å; L688-F896 HydrophobicContact CD1-CG 4.22Å; A691-F896 HydrophobicContact CB-CD1 3.92Å; A691-F896 HydrophobicContact CB-CE1 3.34Å; A691-F896 HydrophobicContact CB-CE2 4.38Å; A691-F896 HydrophobicContact CB-CZ 3.61Å; W886-F896 HydrophobicContact CE3-CD2 4.45Å; W886-F896 HydrophobicContact CE3-CE2 4.48Å; W886-F896 HydrophobicContact CH2-CD2 4.14Å; W886-F896 AromaticContact CH2-CE2 3.49Å; W886-F896 HydrophobicContact CH2-CE2 3.49Å; W886-F896 VanDerWaalsContact CH2-CE2 3.49Å; W886-F896 AromaticContact CH2-CZ 3.84Å; W886-F896 HydrophobicContact CH2-CZ 3.84Å; W886-F896 HydrophobicContact CZ2-CE2 4.12Å; W886-F896 AromaticContact CZ3-CD2 3.85Å; W886-F896 HydrophobicContact CZ3-CD2 3.85Å; W886-F896 AromaticContact CZ3-CE2 3.69Å; W886-F896 HydrophobicContact CZ3-CE2 3.69Å; W886-F896 HydrophobicContact CZ3-CZ 4.31Å; V892-F896 HydrophobicContact CG1-CD2 3.71Å; V892-F896 HydrophobicContact CG1-CE2 3.88Å; V892-F896 VanDerWaalsContact O-CD2 3.27Å; V892-F896 WeakPolarHBondContact O-CD2 3.44Å; V892-F896 PolarHBondContact O-N 2.92Å; V892-F896 VanDerWaalsContact O-N 3.09Å; F896-V898 PolarHBondContact O-N 3.02Å
897	I	79.5	Confident	79.3	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	30%	0.299	C	S	.	.	S	Bend	trans	-96.4	78.7	176.7	-57.5	172.4	0	0	0	108	R577 L580 F581 L688 K893 V902	R577-I897 HydrophobicContact CG-CB 4.17Å; R577-I897 HydrophobicContact CG-CD1 4.15Å; R577-I897 HydrophobicContact CG-CG2 4.12Å; L580-I897 HydrophobicContact CB-CG2 4.41Å; L580-I897 HydrophobicContact CD1-CG2 4.11Å; F581-I897 HydrophobicContact CB-CD1 3.83Å; F581-I897 HydrophobicContact CD2-CD1 3.98Å; F581-I897 HydrophobicContact CG-CD1 4.43Å; L688-I897 HydrophobicContact CD2-CD1 4.28Å; L688-I897 HydrophobicContact CD2-CG1 4.25Å; K893-I897 WeakPolarHBondContact O-CB 3.25Å; K893-I897 PolarHBondContact O-N 3.4Å; I897-V902 HydrophobicContact CG2-CG1 4.24Å; I897-V902 HydrophobicContact CG2-CG2 3.69Å
898	V	76.2	Confident	79	Confident	86 Å²	86	57.6 Å²	57.6	52%	0.521	29%	0.288	S	S	.	.			trans	-113.9	134.1	-179.3	-178.5	0	0	0	0	109.5	L684 K894 K895 F896	L684-V898 WeakPolarHBondContact CD2-O 3.47Å; K894-V898 VanDerWaalsContact O-CG2 3.27Å; K894-V898 WeakPolarHBondContact O-CG2 3.42Å; K895-V898 WeakPolarHBondContact O-CG2 3.35Å; F896-V898 PolarHBondContact O-N 3.02Å
899	G	74.9	Confident	78.6	Confident	18 Å²	18	51.9 Å²	51.9	19%	0.186	27%	0.266	C	S	.	.	S	Bend	trans	167.2	157.1	172.3	0	0	0	0	0	112.1	Q901 V902 E903	G899-Q901 PolarHBondContact O-N 3.13Å; G899-Q901 VanDerWaalsContact O-N 3.11Å; G899-V902 PolarHBondContact O-N 3.23Å; G899-E903 PolarHBondContact O-N 3.39Å; G899-E903 VanDerWaalsContact O-N 3.15Å
900	R	77.8	Confident	77.8	Confident	106 Å²	106	52.2 Å²	52.2	40%	0.4	27%	0.271	S	S	.	.	H	α-helix	trans	-56.3	-31.6	179.7	-172.6	59.3	176.3	173.6	2.4	112.7	E564 V902 E903 L904	E564-R900 VanDerWaalsContact CD-NH2 3.34Å; E564-R900 IonicContact OE1-CZ 2.62Å; E564-R900 VanDerWaalsContact OE1-CZ 3.25Å; E564-R900 IonicContact OE1-NE 2.8Å; E564-R900 PolarHBondContact OE1-NE 2.91Å; E564-R900 IonicContact OE1-NH2 2.77Å; E564-R900 PolarHBondContact OE1-NH2 3.4Å; E564-R900 IonicContact OE2-NH2 3.99Å; E564-R900 PolarHBondContact OE2-NH2 3.43Å; R900-V902 VanDerWaalsContact C-N 3.33Å; R900-V902 PolarHBondContact O-N 3.3Å; R900-E903 IonicContact NH1-OE2 3.99Å; R900-L904 HydrophobicContact CG-CD1 3.89Å; R900-L904 HydrophobicContact CG-CG 4.24Å; R900-L904 WeakPolarHBondContact O-CB 3.21Å; R900-L904 VanDerWaalsContact O-CG 3.3Å; R900-L904 WeakPolarHBondContact O-CG 3.37Å; R900-L904 PolarHBondContact O-N 3.08Å
901	Q	78.6	Confident	77.2	Confident	14 Å²	14	51 Å²	51	7%	0.065	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-38.9	174.4	-168	-178.6	-22.7	0	0	112.2	W565 F569 L684 G899 A905	W565-Q901 HydrophobicContact CH2-CG 3.58Å; W565-Q901 HydrophobicContact CZ2-CG 4.45Å; W565-Q901 HydrophobicContact CZ3-CG 3.97Å; W565-Q901 WeakPolarHBondContact CZ3-O 3.49Å; F569-Q901 HydrophobicContact CD1-CG 4.42Å; F569-Q901 HydrophobicContact CD2-CB 4.32Å; F569-Q901 HydrophobicContact CD2-CG 4.12Å; F569-Q901 HydrophobicContact CE1-CB 4Å; F569-Q901 HydrophobicContact CE1-CG 4.31Å; F569-Q901 VanDerWaalsContact CE2-CA 3.45Å; F569-Q901 HydrophobicContact CE2-CB 3.7Å; F569-Q901 HydrophobicContact CE2-CG 4.02Å; F569-Q901 HydrophobicContact CG-CG 4.33Å; F569-Q901 HydrophobicContact CZ-CB 3.52Å; F569-Q901 HydrophobicContact CZ-CG 4.12Å; L684-Q901 HydrophobicContact CD1-CB 4.29Å; G899-Q901 PolarHBondContact O-N 3.13Å; G899-Q901 VanDerWaalsContact O-N 3.11Å; Q901-A905 WeakPolarHBondContact O-CB 3.45Å; Q901-A905 PolarHBondContact O-N 2.97Å
902	V	78.3	Confident	76.1	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-75.8	-45.5	-177.3	-172.2	0	0	0	0	109.5	R577 L580 L684 I897 G899 R900 L904 A905 E906	R577-V902 HydrophobicContact CB-CG1 4.41Å; R577-V902 HydrophobicContact CG-CG1 4.43Å; L580-V902 HydrophobicContact CD1-CG1 4.45Å; L580-V902 HydrophobicContact CD1-CG2 3.74Å; L684-V902 HydrophobicContact CD2-CG2 4.46Å; I897-V902 HydrophobicContact CG2-CG1 4.24Å; I897-V902 HydrophobicContact CG2-CG2 3.69Å; G899-V902 PolarHBondContact O-N 3.23Å; R900-V902 VanDerWaalsContact C-N 3.33Å; R900-V902 PolarHBondContact O-N 3.3Å; V902-L904 PolarHBondContact O-N 3.01Å; V902-A905 PolarHBondContact O-N 3.47Å; V902-E906 WeakPolarHBondContact O-CG 3.29Å; V902-E906 PolarHBondContact O-N 3.23Å
903	E	79.5	Confident	75.9	Confident	85 Å²	85	53.4 Å²	53.4	40%	0.397	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-44.2	179.6	-67	174	-177.4	0	0	112.4	G899 R900 E906 Q907	G899-E903 PolarHBondContact O-N 3.39Å; G899-E903 VanDerWaalsContact O-N 3.15Å; R900-E903 IonicContact NH1-OE2 3.99Å; E903-E906 PolarHBondContact O-N 3.39Å; E903-Q907 WeakPolarHBondContact O-CB 3.24Å; E903-Q907 VanDerWaalsContact O-CG 3.23Å; E903-Q907 WeakPolarHBondContact O-CG 3.32Å; E903-Q907 PolarHBondContact O-N 3.41Å
904	L	79.6	Confident	75.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.2	-39	178.3	-73.9	175.7	0	0	0	112.1	L561 E564 W565 F569 R900 V902 Q907 L908	L561-L904 HydrophobicContact CD2-CD2 3.96Å; E564-L904 HydrophobicContact CG-CD1 4.08Å; E564-L904 HydrophobicContact CG-CD2 4.43Å; W565-L904 HydrophobicContact CE3-CB 3.81Å; W565-L904 HydrophobicContact CZ3-CB 4.11Å; F569-L904 HydrophobicContact CE2-CD1 4.23Å; R900-L904 HydrophobicContact CG-CD1 3.89Å; R900-L904 HydrophobicContact CG-CG 4.24Å; R900-L904 WeakPolarHBondContact O-CB 3.21Å; R900-L904 VanDerWaalsContact O-CG 3.3Å; R900-L904 WeakPolarHBondContact O-CG 3.37Å; R900-L904 PolarHBondContact O-N 3.08Å; V902-L904 PolarHBondContact O-N 3.01Å; L904-Q907 PolarHBondContact O-N 2.99Å; L904-L908 WeakPolarHBondContact O-CB 3.43Å; L904-L908 VanDerWaalsContact O-CG 3.31Å; L904-L908 WeakPolarHBondContact O-CG 3.32Å; L904-L908 PolarHBondContact O-N 3.44Å
905	A	79.3	Confident	75.4	Confident	2 Å²	2	51.4 Å²	51.4	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-44.8	175.8	0	0	0	0	0	111.1	W565 Q901 V902 L908 S909	W565-A905 HydrophobicContact CH2-CB 4Å; W565-A905 HydrophobicContact CZ3-CB 3.76Å; Q901-A905 WeakPolarHBondContact O-CB 3.45Å; Q901-A905 PolarHBondContact O-N 2.97Å; V902-A905 PolarHBondContact O-N 3.47Å; A905-L908 PolarHBondContact O-N 2.85Å; A905-S909 WeakPolarHBondContact O-CB 3.38Å; A905-S909 PolarHBondContact O-N 3.09Å
906	E	75.8	Confident	74.9	Confident	58 Å²	58	45.4 Å²	45.4	27%	0.271	24%	0.243	S	C	.	.	H	α-helix	trans	-63.9	-43.9	177	-72.3	-172.6	150.1	0	0	112	R577 V902 E903 L908 S909 T910	R577-E906 IonicContact CZ-OE1 3.4Å; R577-E906 IonicContact CZ-OE2 3.64Å; R577-E906 IonicContact NE-OE1 3.84Å; R577-E906 IonicContact NH1-OE1 2.76Å; R577-E906 PolarHBondContact NH1-OE1 3.19Å; R577-E906 IonicContact NH1-OE2 3.45Å; R577-E906 IonicContact NH2-OE1 2.66Å; R577-E906 PolarHBondContact NH2-OE1 3.15Å; R577-E906 IonicContact NH2-OE2 3.69Å; R577-E906 PolarHBondContact NH2-OE2 3.32Å; V902-E906 WeakPolarHBondContact O-CG 3.29Å; V902-E906 PolarHBondContact O-N 3.23Å; E903-E906 PolarHBondContact O-N 3.39Å; E906-L908 PolarHBondContact O-N 3.37Å; E906-S909 PolarHBondContact O-N 2.9Å; E906-S909 PolarHBondContact O-OG 2.97Å; E906-T910 PolarHBondContact O-N 3.24Å; E906-T910 VanDerWaalsContact O-N 3.12Å; E906-T910 PolarHBondContact O-OG1 3.05Å
907	Q	75	Confident	74.7	Confident	72 Å²	72	45.8 Å²	45.8	34%	0.336	25%	0.247	S	C	.	.	H	α-helix	trans	-59	-47.7	175.1	-74.8	175.6	13.9	0	0	111	L561 E903 L904 T910 F911	L561-Q907 HydrophobicContact CD1-CB 4.19Å; E903-Q907 WeakPolarHBondContact O-CB 3.24Å; E903-Q907 VanDerWaalsContact O-CG 3.23Å; E903-Q907 WeakPolarHBondContact O-CG 3.32Å; E903-Q907 PolarHBondContact O-N 3.41Å; L904-Q907 PolarHBondContact O-N 2.99Å; Q907-T910 WeakPolarHBondContact O-CB 3.47Å; Q907-T910 PolarHBondContact O-N 2.85Å; Q907-F911 WeakPolarHBondContact O-CD2 3.39Å; Q907-F911 WeakPolarHBondContact O-CE2 3.5Å
908	L	76.7	Confident	74.4	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-44.4	176.9	-78.3	170.5	0	0	0	112.6	L561 E562 W565 E574 L904 A905 E906 T910 F911	L561-L908 HydrophobicContact CB-CD2 3.55Å; L561-L908 HydrophobicContact CB-CG 4.08Å; E562-L908 HydrophobicContact CB-CD2 4.37Å; E562-L908 HydrophobicContact CG-CD2 3.56Å; W565-L908 HydrophobicContact CB-CD1 3.91Å; W565-L908 HydrophobicContact CD2-CD1 4.37Å; W565-L908 HydrophobicContact CE3-CD1 4.27Å; W565-L908 HydrophobicContact CG-CD1 4.22Å; E574-L908 HydrophobicContact CG-CD1 4.3Å; L904-L908 WeakPolarHBondContact O-CB 3.43Å; L904-L908 VanDerWaalsContact O-CG 3.31Å; L904-L908 WeakPolarHBondContact O-CG 3.32Å; L904-L908 PolarHBondContact O-N 3.44Å; A905-L908 PolarHBondContact O-N 2.85Å; E906-L908 PolarHBondContact O-N 3.37Å; L908-T910 PolarHBondContact O-N 3.06Å; L908-T910 VanDerWaalsContact O-N 3.16Å; L908-F911 PolarHBondContact O-N 3.33Å
909	S	72.6	Confident	74.2	Confident	42 Å²	42	46.1 Å²	46.1	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-59.1	-28	177.6	79.9	0	0	0	0	112.6	A905 E906 V912	A905-S909 WeakPolarHBondContact O-CB 3.38Å; A905-S909 PolarHBondContact O-N 3.09Å; E906-S909 PolarHBondContact O-N 2.9Å; E906-S909 PolarHBondContact O-OG 2.97Å; S909-V912 PolarHBondContact O-N 2.8Å
910	T	66.6	Low	74.2	Confident	78 Å²	78	48.3 Å²	48.3	48%	0.479	25%	0.249	S	C	.	.	H	α-helix	trans	-77	-22.8	179.9	-48.2	0	0	0	0	112.6	Y249 E906 Q907 L908	Y249-T910 HydrophobicContact CD2-CG2 3.84Å; Y249-T910 HydrophobicContact CE2-CG2 3.4Å; Y249-T910 VanDerWaalsContact CE2-CG2 3.4Å; E906-T910 PolarHBondContact O-N 3.24Å; E906-T910 VanDerWaalsContact O-N 3.12Å; E906-T910 PolarHBondContact O-OG1 3.05Å; Q907-T910 WeakPolarHBondContact O-CB 3.47Å; Q907-T910 PolarHBondContact O-N 2.85Å; L908-T910 PolarHBondContact O-N 3.06Å; L908-T910 VanDerWaalsContact O-N 3.16Å
911	F	65.3	Low	73.9	Confident	31 Å²	31	43.5 Å²	43.5	14%	0.136	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	0.8	176.1	-67	-79.8	0	0	0	113.6	Y249 F554 K557 R558 L561 Q907 L908	Y249-F911 HydrophobicContact CE1-CZ 4.42Å; Y249-F911 WeakPolarHBondContact OH-CE2 3.4Å; Y249-F911 VanDerWaalsContact OH-CZ 3.29Å; Y249-F911 WeakPolarHBondContact OH-CZ 3.16Å; F554-F911 AromaticContact CD1-CD1 3.98Å; F554-F911 HydrophobicContact CD1-CD1 3.98Å; F554-F911 AromaticContact CD1-CE1 3.79Å; F554-F911 HydrophobicContact CD1-CE1 3.79Å; F554-F911 HydrophobicContact CE1-CE1 4.19Å; K557-F911 HydrophobicContact CB-CE1 4.44Å; K557-F911 HydrophobicContact CD-CE1 4Å; K557-F911 HydrophobicContact CD-CZ 3.73Å; K557-F911 HydrophobicContact CG-CE1 4.22Å; K557-F911 HydrophobicContact CG-CZ 3.91Å; R558-F911 HydrophobicContact CB-CB 4.15Å; R558-F911 HydrophobicContact CB-CG 4.34Å; R558-F911 HydrophobicContact CG-CB 4.15Å; L561-F911 HydrophobicContact CD1-CD2 3.73Å; L561-F911 HydrophobicContact CD1-CE2 3.23Å; L561-F911 HydrophobicContact CD1-CZ 4.06Å; Q907-F911 WeakPolarHBondContact O-CD2 3.39Å; Q907-F911 WeakPolarHBondContact O-CE2 3.5Å; L908-F911 PolarHBondContact O-N 3.33Å
912	V	59.1	Low	73.4	Confident	135 Å²	135	46.2 Å²	46.2	82%	0.818	25%	0.252	S	S	*	.			trans	-97	0	177.1	177.9	0	0	0	0	109.6	S909	S909-V912 PolarHBondContact O-N 2.8Å

Retrieved 912 of 912 residues in 174.1 ms (Link to these results)

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